A0A5K4F429_SCHMA Loading...

Macrophage-expressed gene 1 protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F429, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 864 aa.

						>A0A5K4F429_SCHMA|A0A5K4F429
MTMNTFAAYIEILGLLSVLIITNIYSSVIEKSSSENPSDQTISYSLPKECTLFPNQKYLSVLPGFGWDNLVNRERGPIIDVEKYSLCRRSVDGKFLIPDEITVQPIKNSEIKLSSEVYESISQCRSLVAYSINSAVGGEYSYFRINGDFSSDKETLREKLSQKLGLIIQSEMRHNRYFIQLIPDSKLHPRFKNRLLDIAAYLEHGNVTMETIELFNNGLIGNTLRNSLGIVTNDNFKSLSQGMNAFYLADLVVRDFGTHCINSVYAGGVLAKIDTLDTNSLNTKKEDRWHLGASATISFANLFNVKLGGSANVNDSLIQNYESKITYSQILTYGGPIIYMSNVNLSLWESGLDNQLVAIDRSGQPIYELITDRSLPELSSHMIVRLVATIKSAVERYYKANTVVGCMNPLSVFYDNEANVASPECDLQSKQITNTTLYLGGVYQKCTGPDDLCLGETIPNPLTGDLFCSQGYVSIQLLPQQVRKCYSVCDEKSWFKNPECTTQCAITESYWCSRDPSLSSSSSNILDNSDSGYLFGGLYTDKEVNSLTKQYNCPQYYWPITLGRRMRICLSTDRELGGKYSLPFGGFYSCYSGNPLTALININQTDKIDSNEQHTRIPEWFKIQQERMSFTLPPPPSSSSSPPPPPPPLPQQQQQQQQEHGTMRSMLRNDNLTPFNDQFVQNDFSQLFAALWPKKCPVGYTAHLAAMEDICQVNYCVQANFLKEQVRRQLKRPPFVLPIYTNEEKLPSFSNDPHGRSILTELSFDSHLFKLSDSNNFIESSSNELHDKNGNIIRKINGRWEEPDQFNIENNINHNNQKLQNIHHAFITTLSTLLPIIIVLIIVISILIFYHVRQQNRPTSQSRN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	58	Low	229 Å²	229	128.1 Å²	128.1	100%	1.128	67%	0.668	S	S	*	*				0	-4.8	0	-99.5	170.6	153.5	0	0	114.3
2	T	50.5	Low	59.2	Low	111 Å²	111	125.3 Å²	125.3	68%	0.681	65%	0.653	S	S	*	*			trans	-92.8	-7.3	-175.6	44.9	0	0	0	0	115.5	T5	T2-T5 PolarHBondContact O-OG1 2.96Å
3	M	51.1	Low	59.8	Low	161 Å²	161	123.8 Å²	123.8	79%	0.793	65%	0.645	S	S	*	*	H	α-helix	trans	-85.5	-30.3	-179.4	-76.6	-176.3	75.7	0	0	114	F6	M3-F6 PolarHBondContact O-N 3.42Å
4	N	53.3	Low	60.3	Low	144 Å²	144	117.2 Å²	117.2	77%	0.77	62%	0.623	S	S	*	*	H	α-helix	trans	-77.7	-23.5	176.6	-75.7	2.4	0	0	0	112.7	A8	N4-A8 PolarHBondContact O-N 2.88Å
5	T	56.5	Low	60.9	Low	87 Å²	87	116.9 Å²	116.9	53%	0.534	62%	0.62	S	S	.	*	H	α-helix	trans	-73.2	-28.8	173.9	46.5	0	0	0	0	112.2	T2 Y9	T2-T5 PolarHBondContact O-OG1 2.96Å; T5-Y9 WeakPolarHBondContact O-CB 3.33Å; T5-Y9 PolarHBondContact O-N 3.31Å; T5-Y9 VanDerWaalsContact O-N 3.1Å
6	F	59.6	Low	61.3	Low	143 Å²	143	115.4 Å²	115.4	63%	0.627	61%	0.612	S	S	*	*	H	α-helix	trans	-75.2	-39.4	-179.7	-122.3	-88.2	0	0	0	112.8	M3 Y9 I10	M3-F6 PolarHBondContact O-N 3.42Å; F6-Y9 PolarHBondContact O-N 2.77Å; F6-I10 HydrophobicContact CD1-CD1 4.37Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.5Å
7	A	57.9	Low	61.4	Low	62 Å²	62	111.8 Å²	111.8	51%	0.512	60%	0.598	S	S	.	*	H	α-helix	trans	-66.2	-41.7	176.3	0	0	0	0	0	111.9	Y9 I10 E11	A7-Y9 VanDerWaalsContact C-N 3.32Å; A7-Y9 PolarHBondContact O-N 2.96Å; A7-I10 PolarHBondContact O-N 2.95Å; A7-E11 PolarHBondContact O-N 3.2Å; A7-E11 VanDerWaalsContact O-N 3.11Å
8	A	65.4	Low	61.6	Low	48 Å²	48	110.4 Å²	110.4	40%	0.397	59%	0.594	S	S	.	*	H	α-helix	trans	-63.7	-37.1	173.1	0	0	0	0	0	112.1	N4 I12	N4-A8 PolarHBondContact O-N 2.88Å; A8-I12 WeakPolarHBondContact O-CB 3.42Å; A8-I12 WeakPolarHBondContact O-CD1 3.26Å; A8-I12 WeakPolarHBondContact O-CG1 3.39Å; A8-I12 PolarHBondContact O-N 2.71Å
9	Y	66	Low	61.9	Low	163 Å²	163	110 Å²	110	64%	0.639	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-37	177.1	-138.1	-100.1	0	0	0	112.5	T5 F6 A7 L13	T5-Y9 WeakPolarHBondContact O-CB 3.33Å; T5-Y9 PolarHBondContact O-N 3.31Å; T5-Y9 VanDerWaalsContact O-N 3.1Å; F6-Y9 PolarHBondContact O-N 2.77Å; A7-Y9 VanDerWaalsContact C-N 3.32Å; A7-Y9 PolarHBondContact O-N 2.96Å; Y9-L13 HydrophobicContact CD1-CD1 3.35Å; Y9-L13 HydrophobicContact CE1-CD1 3.56Å; Y9-L13 HydrophobicContact CG-CD1 4.39Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 WeakPolarHBondContact O-CD1 3.47Å; Y9-L13 PolarHBondContact O-N 2.8Å
10	I	65.1	Low	62.1	Low	114 Å²	114	108.9 Å²	108.9	59%	0.585	58%	0.584	S	S	*	*	H	α-helix	trans	-71.3	-40.2	178.3	-68.4	171.9	0	0	0	111.4	F6 A7 L13 G14	F6-I10 HydrophobicContact CD1-CD1 4.37Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.5Å; A7-I10 PolarHBondContact O-N 2.95Å; I10-L13 PolarHBondContact O-N 3.44Å; I10-G14 PolarHBondContact O-N 3.16Å
11	E	64.8	Low	62.2	Low	147 Å²	147	108.7 Å²	108.7	69%	0.687	58%	0.582	S	S	*	*	H	α-helix	trans	-67.1	-38.3	173.8	-74.2	-156.8	163.3	0	0	112.4	A7 G14 L15	A7-E11 PolarHBondContact O-N 3.2Å; A7-E11 VanDerWaalsContact O-N 3.11Å; E11-G14 PolarHBondContact O-N 2.9Å; E11-L15 WeakPolarHBondContact O-CB 3.38Å; E11-L15 WeakPolarHBondContact O-CG 3.36Å; E11-L15 PolarHBondContact O-N 3.4Å
12	I	72.4	Confident	62.7	Low	95 Å²	95	101.1 Å²	101.1	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-41.5	175.8	-68.8	166.1	0	0	0	111	A8 L15 L16	A8-I12 WeakPolarHBondContact O-CB 3.42Å; A8-I12 WeakPolarHBondContact O-CD1 3.26Å; A8-I12 WeakPolarHBondContact O-CG1 3.39Å; A8-I12 PolarHBondContact O-N 2.71Å; I12-L15 PolarHBondContact O-N 3.4Å; I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 WeakPolarHBondContact O-CD1 3.45Å; I12-L16 PolarHBondContact O-N 2.88Å
13	L	67	Low	63	Low	105 Å²	105	100.9 Å²	100.9	55%	0.55	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-37.3	174.3	-103.1	114.8	0	0	0	112.4	Y9 I10 L16 S17	Y9-L13 HydrophobicContact CD1-CD1 3.35Å; Y9-L13 HydrophobicContact CE1-CD1 3.56Å; Y9-L13 HydrophobicContact CG-CD1 4.39Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 WeakPolarHBondContact O-CD1 3.47Å; Y9-L13 PolarHBondContact O-N 2.8Å; I10-L13 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.33Å; L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.92Å
14	G	66.3	Low	63.4	Low	32 Å²	32	97.6 Å²	97.6	33%	0.33	53%	0.528	S	S	.	.	H	α-helix	trans	-60.8	-49.8	173.5	0	0	0	0	0	111.5	I10 E11 S17 V18	I10-G14 PolarHBondContact O-N 3.16Å; E11-G14 PolarHBondContact O-N 2.9Å; G14-S17 PolarHBondContact O-N 2.82Å; G14-S17 PolarHBondContact O-OG 3.35Å; G14-V18 WeakPolarHBondContact O-CG2 3.44Å; G14-V18 PolarHBondContact O-N 2.89Å; G14-V18 VanDerWaalsContact O-N 3.13Å
15	L	69.3	Low	63.4	Low	112 Å²	112	98.5 Å²	98.5	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-40.2	177.2	-78.2	161	0	0	0	112.6	E11 I12 S17 V18 L19	E11-L15 WeakPolarHBondContact O-CB 3.38Å; E11-L15 WeakPolarHBondContact O-CG 3.36Å; E11-L15 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 3.4Å; L15-S17 VanDerWaalsContact C-N 3.35Å; L15-S17 PolarHBondContact O-N 2.84Å; L15-V18 PolarHBondContact O-N 3.35Å; L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.18Å
16	L	67.4	Low	63.2	Low	93 Å²	93	97.5 Å²	97.5	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174	-107.2	105.9	0	0	0	111.9	I12 L13 L19 I20	I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 WeakPolarHBondContact O-CD1 3.45Å; I12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD2-CD1 4.38Å; L16-I20 WeakPolarHBondContact O-CB 3.5Å; L16-I20 WeakPolarHBondContact O-CD1 3.44Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.45Å
17	S	62.9	Low	62.8	Low	54 Å²	54	93.6 Å²	93.6	38%	0.378	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-38.6	178.8	73.2	0	0	0	0	112.2	L13 G14 L15 I20 I21	L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.92Å; G14-S17 PolarHBondContact O-N 2.82Å; G14-S17 PolarHBondContact O-OG 3.35Å; L15-S17 VanDerWaalsContact C-N 3.35Å; L15-S17 PolarHBondContact O-N 2.84Å; S17-I20 PolarHBondContact O-N 3.41Å; S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 WeakPolarHBondContact O-CD1 3.42Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 3.21Å
18	V	64.5	Low	62.3	Low	87 Å²	87	95.1 Å²	95.1	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-69.4	-39	175.7	176.1	0	0	0	0	111.2	G14 L15 I21 T22	G14-V18 WeakPolarHBondContact O-CG2 3.44Å; G14-V18 PolarHBondContact O-N 2.89Å; G14-V18 VanDerWaalsContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 3.35Å; V18-I21 PolarHBondContact O-N 3.28Å; V18-T22 WeakPolarHBondContact O-CB 3.47Å; V18-T22 WeakPolarHBondContact O-CG2 3.42Å; V18-T22 PolarHBondContact O-N 3.22Å; V18-T22 PolarHBondContact O-OG1 3.03Å
19	L	67.4	Low	61.4	Low	103 Å²	103	97.6 Å²	97.6	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-36.7	173.9	-84.2	157.7	0	0	0	112.7	L15 L16 T22 N23	L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.18Å; L16-L19 PolarHBondContact O-N 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-N23 VanDerWaalsContact O-CB 3.25Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 3.45Å; L19-N23 PolarHBondContact O-ND2 3.09Å
20	I	66.9	Low	60.2	Low	88 Å²	88	96.4 Å²	96.4	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-70.9	-43.3	175.9	-69.6	164.1	0	0	0	110.3	L16 S17 N23 I24	L16-I20 HydrophobicContact CD2-CD1 4.38Å; L16-I20 WeakPolarHBondContact O-CB 3.5Å; L16-I20 WeakPolarHBondContact O-CD1 3.44Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.45Å; S17-I20 PolarHBondContact O-N 3.41Å; I20-N23 PolarHBondContact O-N 2.86Å; I20-I24 HydrophobicContact CG2-CD1 3.51Å; I20-I24 HydrophobicContact CG2-CG1 4.24Å; I20-I24 WeakPolarHBondContact O-CB 3.3Å; I20-I24 WeakPolarHBondContact O-CD1 3.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.42Å
21	I	62.9	Low	59.1	Low	105 Å²	105	99.1 Å²	99.1	54%	0.538	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-41.1	177.9	-67.8	163.8	0	0	0	110.8	S17 V18 I24 Y25	S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 WeakPolarHBondContact O-CD1 3.42Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 3.21Å; V18-I21 PolarHBondContact O-N 3.28Å; I21-I24 PolarHBondContact O-N 3.31Å; I21-Y25 WeakPolarHBondContact O-CB 3.41Å; I21-Y25 PolarHBondContact O-N 3.18Å
22	T	60.1	Low	57.9	Low	69 Å²	69	96.9 Å²	96.9	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-70.3	-37.7	176.5	49.2	0	0	0	0	112.7	V18 L19 Y25 S26	V18-T22 WeakPolarHBondContact O-CB 3.47Å; V18-T22 WeakPolarHBondContact O-CG2 3.42Å; V18-T22 PolarHBondContact O-N 3.22Å; V18-T22 PolarHBondContact O-OG1 3.03Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-OG1 3.27Å; T22-Y25 PolarHBondContact O-N 3.37Å; T22-S26 WeakPolarHBondContact O-CB 3.37Å; T22-S26 PolarHBondContact O-N 2.74Å; T22-S26 PolarHBondContact O-OG 3.41Å; T22-S26 VanDerWaalsContact O-OG 3.14Å
23	N	57	Low	56.2	Low	106 Å²	106	96.5 Å²	96.5	57%	0.567	53%	0.531	S	S	*	.	H	α-helix	trans	-70.7	-31.7	172.7	-85.9	-26.7	0	0	0	113.3	L19 I20 S27	L19-N23 VanDerWaalsContact O-CB 3.25Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 3.45Å; L19-N23 PolarHBondContact O-ND2 3.09Å; I20-N23 PolarHBondContact O-N 2.86Å; N23-S27 VanDerWaalsContact O-CB 3.23Å; N23-S27 WeakPolarHBondContact O-CB 3.4Å; N23-S27 PolarHBondContact O-N 3.47Å; N23-S27 PolarHBondContact O-OG 3.14Å
24	I	59	Low	54.4	Low	93 Å²	93	95.2 Å²	95.2	48%	0.477	53%	0.531	S	S	.	.	H	α-helix	trans	-69.2	-40.7	171.8	-68.5	166.2	0	0	0	109.7	I20 I21 S27 V28	I20-I24 HydrophobicContact CG2-CD1 3.51Å; I20-I24 HydrophobicContact CG2-CG1 4.24Å; I20-I24 WeakPolarHBondContact O-CB 3.3Å; I20-I24 WeakPolarHBondContact O-CD1 3.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.42Å; I21-I24 PolarHBondContact O-N 3.31Å; I24-S27 WeakPolarHBondContact CA-OG 3.39Å; I24-S27 PolarHBondContact O-N 3.22Å; I24-S27 PolarHBondContact O-OG 3.49Å; I24-V28 HydrophobicContact CG2-CG2 4.27Å; I24-V28 VanDerWaalsContact O-CB 3.32Å; I24-V28 WeakPolarHBondContact O-CB 3.39Å; I24-V28 WeakPolarHBondContact O-CG2 3.27Å; I24-V28 PolarHBondContact O-N 3.06Å
25	Y	52.8	Low	53	Low	163 Å²	163	102.2 Å²	102.2	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-42.9	176.2	-134	-95.7	0	0	0	112.1	I21 T22 I29	I21-Y25 WeakPolarHBondContact O-CB 3.41Å; I21-Y25 PolarHBondContact O-N 3.18Å; T22-Y25 PolarHBondContact O-N 3.37Å; Y25-I29 HydrophobicContact CD1-CD1 3.8Å; Y25-I29 HydrophobicContact CE1-CD1 4.19Å; Y25-I29 WeakPolarHBondContact O-CD1 3.43Å; Y25-I29 VanDerWaalsContact O-CG1 3.23Å; Y25-I29 WeakPolarHBondContact O-CG1 3.28Å; Y25-I29 PolarHBondContact O-N 3.48Å; Y25-I29 VanDerWaalsContact O-N 3.14Å
26	S	53.1	Low	51.1	Low	65 Å²	65	103.8 Å²	103.8	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-69.3	-39.1	176.6	-64.2	0	0	0	0	112.8	T22 I29 E30	T22-S26 WeakPolarHBondContact O-CB 3.37Å; T22-S26 PolarHBondContact O-N 2.74Å; T22-S26 PolarHBondContact O-OG 3.41Å; T22-S26 VanDerWaalsContact O-OG 3.14Å; S26-I29 PolarHBondContact O-N 3.36Å; S26-E30 WeakPolarHBondContact O-CB 3.44Å; S26-E30 PolarHBondContact O-N 3.15Å
27	S	49.9	Very low	49.5	Very low	62 Å²	62	104.7 Å²	104.7	43%	0.434	58%	0.575	S	S	.	*	H	α-helix	trans	-73.3	-26.9	177.4	61.9	0	0	0	0	113.4	N23 I24 K31	N23-S27 VanDerWaalsContact O-CB 3.23Å; N23-S27 WeakPolarHBondContact O-CB 3.4Å; N23-S27 PolarHBondContact O-N 3.47Å; N23-S27 PolarHBondContact O-OG 3.14Å; I24-S27 WeakPolarHBondContact CA-OG 3.39Å; I24-S27 PolarHBondContact O-N 3.22Å; I24-S27 PolarHBondContact O-OG 3.49Å; S27-K31 WeakPolarHBondContact O-CB 3.22Å; S27-K31 PolarHBondContact O-N 2.78Å; S27-K31 VanDerWaalsContact O-N 3.09Å
28	V	48.6	Very low	48.2	Very low	94 Å²	94	106.9 Å²	106.9	57%	0.57	59%	0.591	S	S	*	*	H	α-helix	trans	-75.2	-30.5	172.2	171.4	0	0	0	0	111.3	I24 S32	I24-V28 HydrophobicContact CG2-CG2 4.27Å; I24-V28 VanDerWaalsContact O-CB 3.32Å; I24-V28 WeakPolarHBondContact O-CB 3.39Å; I24-V28 WeakPolarHBondContact O-CG2 3.27Å; I24-V28 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-N 3.11Å
29	I	45.8	Very low	46.5	Very low	99 Å²	99	109 Å²	109	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-75.2	-42	173.4	-67.1	167.8	0	0	0	110.8	Y25 S26 K31 S32 S33	Y25-I29 HydrophobicContact CD1-CD1 3.8Å; Y25-I29 HydrophobicContact CE1-CD1 4.19Å; Y25-I29 WeakPolarHBondContact O-CD1 3.43Å; Y25-I29 VanDerWaalsContact O-CG1 3.23Å; Y25-I29 WeakPolarHBondContact O-CG1 3.28Å; Y25-I29 PolarHBondContact O-N 3.48Å; Y25-I29 VanDerWaalsContact O-N 3.14Å; S26-I29 PolarHBondContact O-N 3.36Å; I29-K31 PolarHBondContact O-N 3.18Å; I29-S32 PolarHBondContact O-N 3.38Å; I29-S32 PolarHBondContact O-OG 3.33Å; I29-S33 PolarHBondContact O-N 3.11Å; I29-S33 PolarHBondContact O-OG 3.48Å
30	E	41.4	Very low	44.8	Very low	138 Å²	138	111.8 Å²	111.8	65%	0.645	61%	0.609	S	S	*	*	H	α-helix	trans	-69.4	-28.4	177.4	-96.1	-179.3	153.9	0	0	114.3	S26 S33 S34	S26-E30 WeakPolarHBondContact O-CB 3.44Å; S26-E30 PolarHBondContact O-N 3.15Å; E30-S33 WeakPolarHBondContact CA-OG 3.15Å; E30-S33 PolarHBondContact O-N 3.4Å; E30-S33 PolarHBondContact O-OG 3.45Å; E30-S34 PolarHBondContact O-OG 2.74Å
31	K	42	Very low	43	Very low	172 Å²	172	112.9 Å²	112.9	75%	0.748	62%	0.62	S	S	*	*	H	α-helix	trans	-82.6	-15	175.2	-127.1	171.2	-175.7	179	0	113.8	S27 I29 S33	S27-K31 WeakPolarHBondContact O-CB 3.22Å; S27-K31 PolarHBondContact O-N 2.78Å; S27-K31 VanDerWaalsContact O-N 3.09Å; I29-K31 PolarHBondContact O-N 3.18Å; K31-S33 VanDerWaalsContact C-N 3.32Å
32	S	39.5	Very low	41.5	Very low	99 Å²	99	113.3 Å²	113.3	69%	0.692	62%	0.622	S	S	*	*	H	α-helix	trans	-81.1	-14.7	168.3	78.1	0	0	0	0	112.9	V28 I29	V28-S32 PolarHBondContact O-N 3.11Å; I29-S32 PolarHBondContact O-N 3.38Å; I29-S32 PolarHBondContact O-OG 3.33Å
33	S	35.8	Very low	39.8	Very low	88 Å²	88	114.4 Å²	114.4	62%	0.615	63%	0.633	S	S	*	*	S	Bend	trans	-104.6	6	-179.7	53.1	0	0	0	0	114.5	I29 E30 K31	I29-S33 PolarHBondContact O-N 3.11Å; I29-S33 PolarHBondContact O-OG 3.48Å; E30-S33 WeakPolarHBondContact CA-OG 3.15Å; E30-S33 PolarHBondContact O-N 3.4Å; E30-S33 PolarHBondContact O-OG 3.45Å; K31-S33 VanDerWaalsContact C-N 3.32Å
34	S	31	Very low	38.8	Very low	77 Å²	77	119 Å²	119	54%	0.538	64%	0.644	S	S	.	*	S	Bend	trans	-133.5	40.8	-172.2	56	0	0	0	0	114.9	E30	E30-S34 PolarHBondContact O-OG 2.74Å
35	E	36.3	Very low	37.9	Very low	180 Å²	180	118.7 Å²	118.7	84%	0.841	65%	0.65	S	S	*	*			trans	-139.4	68.4	158.9	-81.4	-174.1	167.7	0	0	109.2	P37	E35-P37 VanDerWaalsContact O-CD 3.27Å; E35-P37 WeakPolarHBondContact O-CD 2.96Å
36	N	29.5	Very low	37.3	Very low	145 Å²	145	118.2 Å²	118.2	78%	0.775	66%	0.658	S	S	*	*			trans	-99.1	98	163.4	-96.5	-11.8	0	0	0	108.4	S38	N36-S38 PolarHBondContact O-N 2.83Å
37	P	34	Very low	37.2	Very low	111 Å²	111	120.7 Å²	120.7	72%	0.721	67%	0.672	S	S	*	*			trans	-70.4	112.4	163.8	28.4	-28.2	0	0	0	107.6	E35	E35-P37 VanDerWaalsContact O-CD 3.27Å; E35-P37 WeakPolarHBondContact O-CD 2.96Å
38	S	34.1	Very low	37.5	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	69%	0.691	S	S	*	*			trans	50.3	99.2	170	56.2	0	0	0	0	115.2	N36 Q40	N36-S38 PolarHBondContact O-N 2.83Å; S38-Q40 PolarHBondContact O-N 3.12Å
39	D	29.5	Very low	38.8	Very low	132 Å²	132	130.9 Å²	130.9	71%	0.706	70%	0.704	S	S	*	*			trans	-59.9	70.8	157.9	-156.1	8.6	0	0	0	109.7	T41	D39-T41 PolarHBondContact O-N 3.19Å; D39-T41 VanDerWaalsContact O-N 3.14Å
40	Q	32.4	Very low	40.7	Very low	161 Å²	161	127.1 Å²	127.1	75%	0.752	69%	0.686	S	S	*	*			trans	-74	88.1	147.8	-80.5	-172.1	-4.6	0	0	104.7	S38 I42	S38-Q40 PolarHBondContact O-N 3.12Å; Q40-I42 PolarHBondContact O-N 3.18Å
41	T	28.2	Very low	42.7	Very low	111 Å²	111	125.3 Å²	125.3	68%	0.681	69%	0.685	S	S	*	*			trans	-53.3	87.6	153.2	20.4	0	0	0	0	106.5	D39 S43	D39-T41 PolarHBondContact O-N 3.19Å; D39-T41 VanDerWaalsContact O-N 3.14Å; T41-S43 PolarHBondContact O-N 3.22Å
42	I	30.7	Very low	44.9	Very low	114 Å²	114	120.4 Å²	120.4	59%	0.585	67%	0.666	S	S	*	*			trans	-64.9	89	155.2	-61.2	176.2	0	0	0	102.8	Q40 Y44	Q40-I42 PolarHBondContact O-N 3.18Å; I42-Y44 PolarHBondContact O-N 3.14Å
43	S	25.9	Very low	47.3	Very low	93 Å²	93	120.8 Å²	120.8	65%	0.65	66%	0.656	S	S	*	*			trans	-51.1	98	156.7	141.9	0	0	0	0	104.7	T41 S45	T41-S43 PolarHBondContact O-N 3.22Å; S43-S45 PolarHBondContact O-N 2.99Å; S43-S45 PolarHBondContact OG-N 3.13Å
44	Y	35.9	Very low	49.7	Very low	203 Å²	203	123 Å²	123	80%	0.796	67%	0.668	S	S	*	*			trans	-60.4	85.1	153.1	-66.4	-83.1	0	0	0	104.4	I42 L46	I42-Y44 PolarHBondContact O-N 3.14Å; Y44-L46 PolarHBondContact O-N 2.6Å
45	S	38.8	Very low	52.2	Low	86 Å²	86	126.5 Å²	126.5	60%	0.601	68%	0.681	S	S	*	*			trans	-54.2	115.8	164	54.6	0	0	0	0	103.7	S43	S43-S45 PolarHBondContact O-N 2.99Å; S43-S45 PolarHBondContact OG-N 3.13Å
46	L	41.8	Very low	54.7	Low	153 Å²	153	119 Å²	119	80%	0.801	65%	0.645	S	S	*	*			trans	-40.4	131.8	163.9	-102.8	87.7	0	0	0	106.1	Y44 K48	Y44-L46 PolarHBondContact O-N 2.6Å; L46-K48 PolarHBondContact O-N 3.1Å
47	P	50.4	Low	57.7	Low	117 Å²	117	117.2 Å²	117.2	76%	0.76	63%	0.631	S	S	*	*			trans	-49.2	117.8	-178.3	13.2	-20.9	0	0	0	106.5	E49	P47-E49 VanDerWaalsContact C-N 3.3Å; P47-E49 PolarHBondContact O-N 3.33Å
48	K	56.9	Low	60.4	Low	190 Å²	190	117.7 Å²	117.7	83%	0.826	62%	0.619	S	S	*	*			trans	-54.4	101.6	-176.7	-99	-178.9	175.2	176.1	0	106.4	L46 C50	L46-K48 PolarHBondContact O-N 3.1Å; K48-C50 PolarHBondContact O-N 3.35Å
49	E	75.1	Confident	63	Low	180 Å²	180	113.2 Å²	113.2	84%	0.841	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-65.9	121.2	-179	-159.9	172.8	-168.3	0	0	106.5	P47 T51	P47-E49 VanDerWaalsContact C-N 3.3Å; P47-E49 PolarHBondContact O-N 3.33Å; E49-T51 PolarHBondContact O-N 3.38Å; E49-T51 VanDerWaalsContact O-N 3.15Å
50	C	84.6	Confident	65.8	Low	20 Å²	20	111.5 Å²	111.5	14%	0.135	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-67.1	118.7	-175.5	-58.9	0	0	0	0	109.2	K48 Y84 C87 L96	K48-C50 PolarHBondContact O-N 3.35Å; C50-Y84 PolarHBondContact SG-O 2.97Å; C50-C87 HydrophobicContact CB-CB 3.92Å; C50-C87 WeakPolarHBondContact CB-SG 3.41Å; C50-C87 WeakPolarHBondContact SG-CA 3.28Å; C50-C87 WeakPolarHBondContact SG-CB 3.44Å; C50-C87 CovalentContact SG-SG 2.04Å; C50-C87 PolarHBondContact SG-SG 3Å; C50-L96 HydrophobicContact CB-CD1 4.3Å; C50-L96 HydrophobicContact CB-CD2 3.91Å
51	T	85	Confident	68.6	Low	100 Å²	100	104.5 Å²	104.5	61%	0.613	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-82.6	133	178	53.9	0	0	0	0	110.9	E49 R89	E49-T51 PolarHBondContact O-N 3.38Å; E49-T51 VanDerWaalsContact O-N 3.15Å; T51-R89 PolarHBondContact O-NH2 3.15Å
52	L	88.1	Confident	71.8	Confident	68 Å²	68	100.8 Å²	100.8	36%	0.356	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-72.3	132.9	169.2	-81.1	166.9	0	0	0	110.1	Q56 Y58 L96	L52-Q56 HydrophobicContact CD2-CB 3.96Å; L52-Y58 HydrophobicContact CD1-CD2 3.71Å; L52-Y58 HydrophobicContact CD1-CE2 3.23Å; L52-Y58 HydrophobicContact CD2-CE2 4.41Å; L52-Y58 HydrophobicContact CG-CE2 4Å; L52-L96 HydrophobicContact CD2-CB 3.89Å; L52-L96 HydrophobicContact CD2-CD2 4.41Å
53	F	88.9	Confident	74.9	Confident	108 Å²	108	95.4 Å²	95.4	47%	0.474	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-76.8	159.4	170	-59.1	-31.5	0	0	0	111.7	N55 Q56	F53-N55 PolarHBondContact O-N 2.89Å; F53-Q56 HydrophobicContact CB-CB 4.36Å; F53-Q56 HydrophobicContact CB-CG 3.96Å; F53-Q56 VanDerWaalsContact CD2-CD 3.48Å; F53-Q56 WeakPolarHBondContact O-CB 3.06Å; F53-Q56 PolarHBondContact O-N 3.17Å
54	P	85.7	Confident	78.2	Confident	134 Å²	134	91 Å²	91	87%	0.87	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.3	-172.7	-29.3	35.7	0	0	0	116
55	N	84.3	Confident	81.1	Confident	151 Å²	151	83.5 Å²	83.5	81%	0.807	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	11.5	179.9	-64.3	-21.8	0	0	0	113.1	F53	F53-N55 PolarHBondContact O-N 2.89Å
56	Q	89.9	Confident	83.9	Confident	21 Å²	21	79.4 Å²	79.4	10%	0.098	41%	0.414	C	S	.	.			trans	-102.8	148.5	-178.7	-72.3	-177.6	-23.8	0	0	111.7	L52 F53 G93 K94	L52-Q56 HydrophobicContact CD2-CB 3.96Å; F53-Q56 HydrophobicContact CB-CB 4.36Å; F53-Q56 HydrophobicContact CB-CG 3.96Å; F53-Q56 VanDerWaalsContact CD2-CD 3.48Å; F53-Q56 WeakPolarHBondContact O-CB 3.06Å; F53-Q56 PolarHBondContact O-N 3.17Å; Q56-G93 WeakPolarHBondContact CG-O 3.1Å; Q56-G93 PolarHBondContact NE2-O 2.83Å; Q56-K94 VanDerWaalsContact CA-O 3.29Å; Q56-K94 WeakPolarHBondContact CA-O 3.38Å
57	K	90.9	Very high	86.5	Confident	108 Å²	108	72.3 Å²	72.3	47%	0.47	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161	173.5	-62	179.3	-177.7	177	0	109.9	K94 F95 L96 N354	K57-K94 PolarHBondContact N-O 2.94Å; K57-F95 HydrophobicContact CB-CD1 4.4Å; K57-F95 HydrophobicContact CB-CE1 4.45Å; K57-F95 VanDerWaalsContact O-CA 3.29Å; K57-F95 WeakPolarHBondContact O-CA 3.44Å; K57-L96 PolarHBondContact O-N 3.18Å; K57-N354 PolarHBondContact NZ-OD1 2.63Å
58	Y	90.7	Very high	88.7	Confident	122 Å²	122	66.9 Å²	66.9	48%	0.478	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.4	160	-67.4	-75.6	0	0	0	109.3	L52 S60 Y84 L96	L52-Y58 HydrophobicContact CD1-CD2 3.71Å; L52-Y58 HydrophobicContact CD1-CE2 3.23Å; L52-Y58 HydrophobicContact CD2-CE2 4.41Å; L52-Y58 HydrophobicContact CG-CE2 4Å; Y58-S60 PolarHBondContact O-N 2.9Å; Y58-Y84 HydrophobicContact CD1-CE1 4.09Å; Y58-Y84 AromaticContact CD1-CZ 3.91Å; Y58-Y84 HydrophobicContact CE1-CE1 4.16Å; Y58-Y84 HydrophobicContact CE1-CE2 4.49Å; Y58-L96 HydrophobicContact CD1-CD2 4.49Å; Y58-L96 HydrophobicContact CE1-CD2 3.74Å
59	L	89	Confident	90.5	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	30%	0.302	C	S	.	.			trans	-72.9	120.1	173.8	-170.2	64.8	0	0	0	109.1	V61 L62 F95 I101 V103 I179	L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 WeakPolarHBondContact CD2-O 3.24Å; L59-V61 WeakPolarHBondContact CG-O 3.13Å; L59-V61 PolarHBondContact O-N 2.74Å; L59-L62 HydrophobicContact CB-CD2 4.19Å; L59-L62 HydrophobicContact CD2-CD2 4.1Å; L59-L62 HydrophobicContact CG-CD2 4.37Å; L59-F95 HydrophobicContact CB-CD1 4.2Å; L59-F95 HydrophobicContact CB-CG 4.47Å; L59-F95 HydrophobicContact CD1-CD1 3.95Å; L59-F95 HydrophobicContact CD1-CD2 4.19Å; L59-F95 HydrophobicContact CD1-CE1 3.91Å; L59-F95 HydrophobicContact CD1-CE2 4.15Å; L59-F95 HydrophobicContact CD1-CG 4.09Å; L59-F95 HydrophobicContact CD1-CZ 4.01Å; L59-I101 HydrophobicContact CD2-CD1 4.05Å; L59-V103 HydrophobicContact CD2-CG2 3.72Å; L59-I179 HydrophobicContact CD1-CD1 4.17Å; L59-I179 HydrophobicContact CD2-CD1 3.62Å; L59-I179 HydrophobicContact CD2-CG1 3.9Å; L59-I179 HydrophobicContact CD2-CG2 4.05Å; L59-I179 HydrophobicContact CG-CD1 4.18Å
60	S	88.3	Confident	91.4	Very high	96 Å²	96	49.3 Å²	49.3	67%	0.671	26%	0.262	S	S	*	.	S	Bend	trans	-75.4	-16.8	-177.7	58.6	0	0	0	0	113.9	Y58 L356	Y58-S60 PolarHBondContact O-N 2.9Å; S60-L356 PolarHBondContact OG-O 3.3Å
61	V	92.5	Very high	91.9	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.091	26%	0.258	C	S	.	.			trans	-116.8	111.7	-174.6	-178	0	0	0	0	108	L59 I179 V264 A266 L356 A358	L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 WeakPolarHBondContact CD2-O 3.24Å; L59-V61 WeakPolarHBondContact CG-O 3.13Å; L59-V61 PolarHBondContact O-N 2.74Å; V61-I179 HydrophobicContact CB-CD1 4.38Å; V61-I179 HydrophobicContact CG1-CD1 4.46Å; V61-I179 WeakPolarHBondContact O-CD1 3.29Å; V61-V264 HydrophobicContact CG1-CB 4.3Å; V61-V264 HydrophobicContact CG1-CG2 3.79Å; V61-A266 HydrophobicContact CB-CB 4.33Å; V61-A266 HydrophobicContact CG1-CB 4.32Å; V61-A266 HydrophobicContact CG2-CB 4.41Å; V61-L356 WeakPolarHBondContact CG2-O 3.45Å; V61-A358 HydrophobicContact CG1-CB 3.61Å
62	L	94.4	Very high	92.4	Very high	33 Å²	33	45 Å²	45	17%	0.173	23%	0.234	C	C	.	.			trans	-125.8	137.7	-175.8	-63.2	177.3	0	0	0	110.5	L59 F65 V81 P98 I101	L59-L62 HydrophobicContact CB-CD2 4.19Å; L59-L62 HydrophobicContact CD2-CD2 4.1Å; L59-L62 HydrophobicContact CG-CD2 4.37Å; L62-F65 HydrophobicContact CB-CE2 4.13Å; L62-V81 HydrophobicContact CD1-CG2 4.47Å; L62-P98 HydrophobicContact CD1-CG 4.45Å; L62-P98 HydrophobicContact CD2-CG 4.03Å; L62-I101 HydrophobicContact CD2-CD1 3.91Å
63	P	96.2	Very high	92.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-75.6	-174.5	165.3	35	-35.4	0	0	0	110.4	I101 I179 L181 I261 V264	P63-I101 HydrophobicContact CG-CG2 4.08Å; P63-I179 HydrophobicContact CG-CG2 4.11Å; P63-L181 HydrophobicContact CB-CD2 4.3Å; P63-L181 HydrophobicContact CB-CG 4.07Å; P63-L181 HydrophobicContact CG-CD2 3.91Å; P63-L181 HydrophobicContact CG-CG 4.01Å; P63-I261 HydrophobicContact CB-CG2 4.12Å; P63-I261 WeakPolarHBondContact CB-O 3.34Å; P63-V264 HydrophobicContact CB-CG1 4.42Å
64	G	95.6	Very high	93.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.			trans	89.4	-1.6	176.6	0	0	0	0	0	115.6	I78 I79 I261	G64-I78 PolarHBondContact O-N 2.98Å; G64-I79 PolarHBondContact O-N 3.49Å; G64-I261 PolarHBondContact N-O 3.48Å
65	F	96.4	Very high	93.6	Very high	47 Å²	47	44.1 Å²	44.1	21%	0.206	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	150.6	170.7	-67.4	-91.3	0	0	0	111.2	L62 P77 V81 I261	L62-F65 HydrophobicContact CB-CE2 4.13Å; F65-P77 HydrophobicContact CD1-CB 4.22Å; F65-P77 HydrophobicContact CE1-CB 4.1Å; F65-V81 HydrophobicContact CE2-CG2 3.92Å; F65-V81 HydrophobicContact CZ-CG2 4.27Å; F65-I261 PolarHBondContact O-N 3.35Å
66	G	97	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	154.9	168.8	0	0	0	0	0	112.5	E74 R75 G76 F256 H259	G66-E74 CarbonylContact O-C 3.5Å; G66-E74 WeakPolarHBondContact O-CA 3.17Å; G66-R75 PolarHBondContact O-N 3.25Å; G66-G76 PolarHBondContact N-O 2.78Å; G66-F256 CarbonylContact C-O 3.33Å; G66-F256 WeakPolarHBondContact CA-O 3.37Å; G66-H259 CarbonylContact C-O 3.56Å; G66-H259 WeakPolarHBondContact CA-O 3.45Å
67	W	96.6	Very high	94.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.9	-176.2	-178.8	-101.1	0	0	0	111.5	N69 N72 E74 A129 I132 F256 T258 H259 I261	W67-N69 VanDerWaalsContact CD1-OD1 3.24Å; W67-N69 PolarHBondContact NE1-OD1 3.33Å; W67-N69 PolarHBondContact O-N 3.37Å; W67-N72 HydrophobicContact CH2-CB 3.87Å; W67-N72 VanDerWaalsContact CH2-O 3.3Å; W67-N72 WeakPolarHBondContact CH2-O 3.3Å; W67-N72 VanDerWaalsContact CZ2-C 3.46Å; W67-N72 HydrophobicContact CZ2-CB 3.54Å; W67-N72 WeakPolarHBondContact CZ2-OD1 3.2Å; W67-E74 HydrophobicContact CE3-CG 3.87Å; W67-E74 HydrophobicContact CZ3-CG 3.96Å; W67-A129 HydrophobicContact CH2-CB 3.97Å; W67-A129 HydrophobicContact CZ2-CB 3.44Å; W67-A129 VanDerWaalsContact CZ2-CB 3.44Å; W67-I132 HydrophobicContact CB-CD1 4.19Å; W67-I132 HydrophobicContact CD2-CD1 4.48Å; W67-I132 HydrophobicContact CG-CD1 3.78Å; W67-I132 HydrophobicContact CZ2-CG2 4.32Å; W67-F256 PolarHBondContact N-O 3.21Å; W67-T258 PolarHBondContact O-N 2.73Å; W67-T258 PolarHBondContact O-OG1 2.73Å; W67-H259 HydrophobicContact CB-CB 4.22Å; W67-H259 PolarHBondContact N-O 2.71Å; W67-H259 PolarHBondContact O-N 2.94Å; W67-I261 HydrophobicContact CB-CD1 4.31Å; W67-I261 HydrophobicContact CB-CG1 3.92Å; W67-I261 HydrophobicContact CD2-CD1 4.43Å; W67-I261 HydrophobicContact CE3-CD1 3.86Å; W67-I261 HydrophobicContact CG-CG1 4.43Å
68	D	96.8	Very high	94.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	102.2	170.4	-177.2	-9.7	0	0	0	109	L70 V71 N72 R73 R75 Y397	D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.4Å; D68-L70 PolarHBondContact OD1-N 3.21Å; D68-V71 HydrophobicContact CB-CG2 3.68Å; D68-V71 VanDerWaalsContact CG-CG2 3.42Å; D68-V71 PolarHBondContact O-N 3.25Å; D68-V71 WeakPolarHBondContact OD2-CG2 3.41Å; D68-N72 WeakPolarHBondContact O-CA 3.42Å; D68-N72 PolarHBondContact O-N 3.25Å; D68-R73 PolarHBondContact N-O 3.38Å; D68-R73 PolarHBondContact O-N 2.93Å; D68-R75 HydrophobicContact CB-CG 3.93Å; D68-R75 IonicContact OD2-CZ 3.35Å; D68-R75 IonicContact OD2-NE 3.22Å; D68-R75 IonicContact OD2-NH2 2.74Å; D68-R75 PolarHBondContact OD2-NH2 2.84Å; D68-Y397 VanDerWaalsContact CG-OH 3.24Å; D68-Y397 WeakPolarHBondContact OD1-CE1 3.15Å; D68-Y397 PolarHBondContact OD1-OH 3.19Å; D68-Y397 PolarHBondContact OD2-OH 2.85Å
69	N	94.6	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.3	-171.3	-138.9	23.4	0	0	0	112.3	W67 I132 N133 N146 G147 T258 Y398	W67-N69 VanDerWaalsContact CD1-OD1 3.24Å; W67-N69 PolarHBondContact NE1-OD1 3.33Å; W67-N69 PolarHBondContact O-N 3.37Å; N69-I132 PolarHBondContact ND2-O 2.81Å; N69-N133 PolarHBondContact O-OD1 3.18Å; N69-N133 PolarHBondContact OD1-OD1 2.54Å; N69-N133 VanDerWaalsContact OD1-OD1 3.05Å; N69-N146 PolarHBondContact ND2-ND2 2.94Å; N69-N146 PolarHBondContact ND2-OD1 2.8Å; N69-N146 VanDerWaalsContact ND2-OD1 3.15Å; N69-G147 VanDerWaalsContact O-CA 3.24Å; N69-G147 WeakPolarHBondContact O-CA 3.48Å; N69-G147 PolarHBondContact O-N 3.03Å; N69-T258 PolarHBondContact N-OG1 3.28Å; N69-Y398 VanDerWaalsContact CB-OH 3.26Å; N69-Y398 WeakPolarHBondContact CB-OH 3.25Å
70	L	94.2	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-39.2	177.9	-65.4	-168.1	0	0	0	111.7	D68 I145 G147 D148 F149 S150 Y397 Y398 N401 L730	D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.4Å; D68-L70 PolarHBondContact OD1-N 3.21Å; L70-I145 HydrophobicContact CD1-CD1 4.16Å; L70-I145 HydrophobicContact CD2-CB 4.46Å; L70-I145 HydrophobicContact CD2-CD1 3.54Å; L70-I145 HydrophobicContact CD2-CG1 3.53Å; L70-G147 CarbonylContact O-C 3.45Å; L70-G147 VanDerWaalsContact O-C 3.27Å; L70-G147 WeakPolarHBondContact O-CA 3.37Å; L70-D148 PolarHBondContact O-N 2.85Å; L70-F149 HydrophobicContact CB-CD2 4.28Å; L70-F149 CarbonylContact O-C 3.52Å; L70-F149 WeakPolarHBondContact O-CA 3.34Å; L70-F149 WeakPolarHBondContact O-CB 3.49Å; L70-F149 PolarHBondContact O-N 2.55Å; L70-S150 PolarHBondContact O-N 3.24Å; L70-Y397 HydrophobicContact CB-CE1 4.22Å; L70-Y397 HydrophobicContact CD1-CD1 4.02Å; L70-Y397 HydrophobicContact CD1-CD2 4.4Å; L70-Y397 HydrophobicContact CD1-CE1 3.56Å; L70-Y397 HydrophobicContact CD1-CE2 3.97Å; L70-Y397 HydrophobicContact CD1-CG 4.44Å; L70-Y397 HydrophobicContact CG-CD1 4.4Å; L70-Y397 HydrophobicContact CG-CE1 3.72Å; L70-Y398 HydrophobicContact CD2-CD1 3.68Å; L70-Y398 HydrophobicContact CD2-CE1 3.39Å; L70-Y398 HydrophobicContact CG-CD1 4.49Å; L70-Y398 HydrophobicContact CG-CE1 4.22Å; L70-N401 HydrophobicContact CD1-CB 3.67Å; L70-L730 HydrophobicContact CB-CD1 4.03Å; L70-L730 HydrophobicContact CD1-CD1 4.01Å
71	V	95.3	Very high	95.2	Very high	10 Å²	10	25 Å²	25	6%	0.061	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-4.5	-176.3	-57.8	0	0	0	0	114.3	D68 R73 F149 S150 L730	D68-V71 HydrophobicContact CB-CG2 3.68Å; D68-V71 VanDerWaalsContact CG-CG2 3.42Å; D68-V71 PolarHBondContact O-N 3.25Å; D68-V71 WeakPolarHBondContact OD2-CG2 3.41Å; V71-R73 HydrophobicContact CG2-CB 3.86Å; V71-R73 HydrophobicContact CG2-CG 3.96Å; V71-F149 HydrophobicContact CG1-CB 4.16Å; V71-S150 WeakPolarHBondContact O-CA 3Å; V71-L730 HydrophobicContact CG1-CD1 4.14Å; V71-L730 HydrophobicContact CG1-CD2 3.33Å; V71-L730 HydrophobicContact CG1-CG 4.29Å
72	N	96	Very high	94.9	Very high	20 Å²	20	30.7 Å²	30.7	11%	0.107	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	56.4	-171.6	-72.2	-30.9	0	0	0	113.3	W67 D68 S126 N133 G147	W67-N72 HydrophobicContact CH2-CB 3.87Å; W67-N72 VanDerWaalsContact CH2-O 3.3Å; W67-N72 WeakPolarHBondContact CH2-O 3.3Å; W67-N72 VanDerWaalsContact CZ2-C 3.46Å; W67-N72 HydrophobicContact CZ2-CB 3.54Å; W67-N72 WeakPolarHBondContact CZ2-OD1 3.2Å; D68-N72 WeakPolarHBondContact O-CA 3.42Å; D68-N72 PolarHBondContact O-N 3.25Å; N72-S126 PolarHBondContact ND2-OG 2.85Å; N72-N133 PolarHBondContact ND2-ND2 3.29Å; N72-N133 PolarHBondContact OD1-ND2 3.34Å; N72-N133 PolarHBondContact OD1-OD1 3.23Å; N72-G147 WeakPolarHBondContact ND2-CA 3.47Å
73	R	96	Very high	94.6	Very high	137 Å²	137	33.3 Å²	33.3	52%	0.517	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.3	176.7	-65.7	-172	177.6	-167.9	-1.3	112.7	D68 V71	D68-R73 PolarHBondContact N-O 3.38Å; D68-R73 PolarHBondContact O-N 2.93Å; V71-R73 HydrophobicContact CG2-CB 3.86Å; V71-R73 HydrophobicContact CG2-CG 3.96Å
74	E	95.7	Very high	94.4	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.6	168.4	-75.9	161.2	-156.1	0	0	110.7	G66 W67 I261 R361	G66-E74 CarbonylContact O-C 3.5Å; G66-E74 WeakPolarHBondContact O-CA 3.17Å; W67-E74 HydrophobicContact CE3-CG 3.87Å; W67-E74 HydrophobicContact CZ3-CG 3.96Å; E74-I261 HydrophobicContact CG-CD1 3.75Å; E74-R361 IonicContact OE1-CZ 2.65Å; E74-R361 IonicContact OE1-NE 3.73Å; E74-R361 PolarHBondContact OE1-NE 2.8Å; E74-R361 IonicContact OE1-NH2 3.44Å; E74-R361 PolarHBondContact OE1-NH2 3.41Å
75	R	96	Very high	94.2	Very high	61 Å²	61	39.1 Å²	39.1	23%	0.23	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	-163.5	-174.7	-65.2	-60.5	-170.9	165.6	6	109.7	G66 D68 D255 F256	G66-R75 PolarHBondContact O-N 3.25Å; D68-R75 HydrophobicContact CB-CG 3.93Å; D68-R75 IonicContact OD2-CZ 3.35Å; D68-R75 IonicContact OD2-NE 3.22Å; D68-R75 IonicContact OD2-NH2 2.74Å; D68-R75 PolarHBondContact OD2-NH2 2.84Å; R75-D255 WeakPolarHBondContact CB-O 3.27Å; R75-F256 VanDerWaalsContact CB-C 3.42Å; R75-F256 WeakPolarHBondContact CB-O 3.41Å
76	G	94.9	Very high	93.9	Very high	20 Å²	20	42.3 Å²	42.3	21%	0.206	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	156.1	-178.5	0	0	0	0	0	114	G66 I78 D255	G66-G76 PolarHBondContact N-O 2.78Å; G76-I78 PolarHBondContact O-N 3.44Å; G76-D255 PolarHBondContact N-O 3.38Å
77	P	95.4	Very high	93.7	Very high	30 Å²	30	44.3 Å²	44.3	20%	0.195	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.9	178.5	28.6	-34.8	0	0	0	110.9	F65 H188 F256	F65-P77 HydrophobicContact CD1-CB 4.22Å; F65-P77 HydrophobicContact CE1-CB 4.1Å; P77-H188 HydrophobicContact CB-CB 4.41Å; P77-F256 VanDerWaalsContact O-CE1 3.31Å; P77-F256 WeakPolarHBondContact O-CE1 3.43Å
78	I	96.6	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.			trans	-105.4	-37.2	178.9	-67.8	-177.9	0	0	0	110.8	G64 G76 L187 H188 F191 F256 C260 I366 L369	G64-I78 PolarHBondContact O-N 2.98Å; G76-I78 PolarHBondContact O-N 3.44Å; I78-L187 HydrophobicContact CG2-CD2 4.41Å; I78-L187 CarbonylContact O-C 3.55Å; I78-L187 WeakPolarHBondContact O-CA 3.37Å; I78-H188 PolarHBondContact O-N 3.42Å; I78-F191 HydrophobicContact CG1-CD2 4.37Å; I78-F191 HydrophobicContact CG1-CE2 4.46Å; I78-F191 HydrophobicContact CG1-CG 4.49Å; I78-F191 HydrophobicContact CG2-CD1 3.88Å; I78-F191 HydrophobicContact CG2-CE1 3.85Å; I78-F191 HydrophobicContact CG2-CG 4.43Å; I78-F191 HydrophobicContact CG2-CZ 4.39Å; I78-F256 HydrophobicContact CD1-CB 4.28Å; I78-F256 HydrophobicContact CG1-CB 4.31Å; I78-F256 HydrophobicContact CG1-CD1 3.95Å; I78-C260 HydrophobicContact CD1-CB 3.89Å; I78-C260 HydrophobicContact CG2-CB 4.33Å; I78-I366 HydrophobicContact CD1-CG2 3.56Å; I78-L369 HydrophobicContact CG2-CD1 3.38Å
79	I	95.9	Very high	93.3	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-109	144.7	176.4	-57.4	-57.1	0	0	0	109.8	G64 V81 E100 L181 K186 L187	G64-I79 PolarHBondContact O-N 3.49Å; I79-V81 VanDerWaalsContact C-N 3.32Å; I79-V81 HydrophobicContact CB-CG1 4.23Å; I79-V81 HydrophobicContact CG2-CG1 3.92Å; I79-V81 PolarHBondContact O-N 3.4Å; I79-E100 HydrophobicContact CG2-CB 4.36Å; I79-L181 HydrophobicContact CB-CD1 4.41Å; I79-L181 HydrophobicContact CB-CD2 4.43Å; I79-L181 HydrophobicContact CG1-CD1 3.73Å; I79-L181 HydrophobicContact CG2-CD2 4.03Å; I79-K186 WeakPolarHBondContact CA-O 3.17Å; I79-K186 WeakPolarHBondContact CG2-O 3.31Å; I79-L187 HydrophobicContact CD1-CD2 3.91Å
80	D	92.5	Very high	93.2	Very high	42 Å²	42	50.9 Å²	50.9	23%	0.225	25%	0.248	C	C	.	.			trans	-76.7	79	177.3	-170.4	6.7	0	0	0	111.7	E100 K186	D80-E100 WeakPolarHBondContact O-CG 3.41Å; D80-K186 PolarHBondContact N-O 3.12Å
81	V	91.2	Very high	93.1	Very high	4 Å²	4	57 Å²	57	2%	0.024	29%	0.285	C	S	.	.			trans	-93.3	10.3	-180	-62.7	0	0	0	0	113.7	L62 F65 I79 P98 I101 L181	L62-V81 HydrophobicContact CD1-CG2 4.47Å; F65-V81 HydrophobicContact CE2-CG2 3.92Å; F65-V81 HydrophobicContact CZ-CG2 4.27Å; I79-V81 VanDerWaalsContact C-N 3.32Å; I79-V81 HydrophobicContact CB-CG1 4.23Å; I79-V81 HydrophobicContact CG2-CG1 3.92Å; I79-V81 PolarHBondContact O-N 3.4Å; V81-P98 VanDerWaalsContact O-CB 3.3Å; V81-P98 WeakPolarHBondContact O-CB 3.49Å; V81-P98 WeakPolarHBondContact O-CG 3.43Å; V81-I101 HydrophobicContact CG1-CG2 4.19Å; V81-L181 HydrophobicContact CG1-CD2 3.91Å
82	E	85.3	Confident	92.9	Very high	135 Å²	135	58.9 Å²	58.9	63%	0.631	29%	0.294	S	S	*	.			trans	-96.5	-1.7	179	-64.4	-175.8	176.2	0	0	112.6	Y84	E82-Y84 WeakPolarHBondContact O-CD2 3.19Å
83	K	89.2	Confident	92.7	Very high	89 Å²	89	59.6 Å²	59.6	39%	0.387	31%	0.306	S	S	.	.			trans	-89.5	127.2	-179.5	-159.9	-179	-179.6	179.1	0	111.9	S85 P98 D99	K83-S85 VanDerWaalsContact CE-OG 3.3Å; K83-S85 WeakPolarHBondContact CE-OG 3.31Å; K83-P98 WeakPolarHBondContact O-CA 3.49Å; K83-D99 WeakPolarHBondContact CG-OD2 3.35Å; K83-D99 VanDerWaalsContact O-CG 3.29Å; K83-D99 PolarHBondContact O-N 3.18Å
84	Y	91.4	Very high	92.4	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.184	30%	0.297	C	S	.	.			trans	-120.6	23.7	179	-69.8	-95.3	0	0	0	112.6	C50 Y58 E82 L86 C87 L96 I97 P98 D99	C50-Y84 PolarHBondContact SG-O 2.97Å; Y58-Y84 HydrophobicContact CD1-CE1 4.09Å; Y58-Y84 AromaticContact CD1-CZ 3.91Å; Y58-Y84 HydrophobicContact CE1-CE1 4.16Å; Y58-Y84 HydrophobicContact CE1-CE2 4.49Å; E82-Y84 WeakPolarHBondContact O-CD2 3.19Å; Y84-L86 PolarHBondContact O-N 3.25Å; Y84-C87 PolarHBondContact O-N 3.19Å; Y84-L96 HydrophobicContact CD1-CD2 3.97Å; Y84-L96 HydrophobicContact CD1-CG 3.86Å; Y84-L96 HydrophobicContact CE1-CD2 4.36Å; Y84-L96 HydrophobicContact CE1-CG 4.15Å; Y84-I97 WeakPolarHBondContact CD1-O 3.46Å; Y84-I97 VanDerWaalsContact CE1-C 3.42Å; Y84-P98 HydrophobicContact CE1-CB 4.41Å; Y84-P98 VanDerWaalsContact CE1-CD 3.45Å; Y84-P98 HydrophobicContact CE1-CG 3.87Å; Y84-P98 VanDerWaalsContact CE1-N 3.31Å; Y84-P98 HydrophobicContact CE2-CG 4.24Å; Y84-P98 WeakPolarHBondContact OH-CG 2.98Å; Y84-D99 VanDerWaalsContact C-OD1 3.25Å
85	S	90.2	Very high	92.3	Very high	75 Å²	75	52.9 Å²	52.9	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.1	-170.9	66.1	0	0	0	0	114.5	K83 D99	K83-S85 VanDerWaalsContact CE-OG 3.3Å; K83-S85 WeakPolarHBondContact CE-OG 3.31Å; S85-D99 WeakPolarHBondContact CA-OD2 3.29Å; S85-D99 WeakPolarHBondContact CB-OD2 3.35Å; S85-D99 PolarHBondContact N-OD1 2.56Å; S85-D99 PolarHBondContact N-OD2 2.92Å; S85-D99 PolarHBondContact OG-OD2 3.5Å
86	L	90.9	Very high	92.2	Very high	114 Å²	114	50 Å²	50	60%	0.597	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.4	178.5	-56.1	176.9	0	0	0	113.3	Y84 R88 D99	Y84-L86 PolarHBondContact O-N 3.25Å; L86-R88 HydrophobicContact CB-CG 3.79Å; L86-R88 PolarHBondContact O-N 3.29Å; L86-R88 VanDerWaalsContact O-N 3.08Å; L86-D99 VanDerWaalsContact CB-OD1 3.25Å; L86-D99 WeakPolarHBondContact CB-OD1 3.08Å; L86-D99 HydrophobicContact CD1-CB 4.13Å; L86-D99 HydrophobicContact CG-CB 4.36Å; L86-D99 WeakPolarHBondContact CG-OD1 3.4Å; L86-D99 PolarHBondContact N-OD1 3.35Å
87	C	92	Very high	92.1	Very high	41 Å²	41	49.3 Å²	49.3	28%	0.277	26%	0.26	S	S	.	.			trans	45.1	39.7	-177	-58.5	0	0	0	0	114.1	C50 Y84 R89	C50-C87 HydrophobicContact CB-CB 3.92Å; C50-C87 WeakPolarHBondContact CB-SG 3.41Å; C50-C87 WeakPolarHBondContact SG-CA 3.28Å; C50-C87 WeakPolarHBondContact SG-CB 3.44Å; C50-C87 CovalentContact SG-SG 2.04Å; C50-C87 PolarHBondContact SG-SG 3Å; Y84-C87 PolarHBondContact O-N 3.19Å; C87-R89 PolarHBondContact O-NH1 3.13Å
88	R	92.7	Very high	92	Very high	64 Å²	64	47.9 Å²	47.9	24%	0.242	25%	0.251	C	S	.	.			trans	-69	149.3	-177	-69.1	171.3	63.8	-141.1	-10.9	110.9	L86 L96 I97 P98 D99 I101	L86-R88 HydrophobicContact CB-CG 3.79Å; L86-R88 PolarHBondContact O-N 3.29Å; L86-R88 VanDerWaalsContact O-N 3.08Å; R88-L96 WeakPolarHBondContact O-CD1 3.48Å; R88-I97 HydrophobicContact CB-CD1 3.92Å; R88-I97 HydrophobicContact CB-CG1 3.48Å; R88-I97 VanDerWaalsContact CB-CG1 3.48Å; R88-I97 WeakPolarHBondContact O-CG1 3.43Å; R88-I97 PolarHBondContact O-N 2.89Å; R88-P98 PolarHBondContact NH1-O 3.14Å; R88-D99 PolarHBondContact NH1-O 3.2Å; R88-I101 PolarHBondContact NH1-O 3.44Å; R88-I101 PolarHBondContact NH2-O 2.67Å
89	R	92.2	Very high	91.8	Very high	74 Å²	74	48.3 Å²	48.3	28%	0.279	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-127.6	151	-179.7	-73.6	165.1	172	66.6	-1.6	111.1	T51 C87 F95 L96	T51-R89 PolarHBondContact O-NH2 3.15Å; C87-R89 PolarHBondContact O-NH1 3.13Å; R89-F95 CarbonylContact C-O 3.53Å; R89-F95 VanDerWaalsContact CA-O 3.3Å; R89-F95 WeakPolarHBondContact CA-O 3.31Å; R89-L96 HydrophobicContact CG-CD1 4.18Å
90	S	93.2	Very high	91.7	Very high	8 Å²	8	49.6 Å²	49.6	6%	0.056	26%	0.259	C	S	.	.			trans	-64.4	152.2	173.2	64.7	0	0	0	0	111.1	D92 G93 K94 F95	S90-D92 VanDerWaalsContact CB-OD1 3.26Å; S90-D92 WeakPolarHBondContact CB-OD1 3.45Å; S90-D92 PolarHBondContact O-N 2.88Å; S90-D92 PolarHBondContact OG-OD1 2.68Å; S90-G93 WeakPolarHBondContact O-CA 3.4Å; S90-G93 PolarHBondContact O-N 2.58Å; S90-K94 PolarHBondContact OG-N 2.77Å; S90-F95 PolarHBondContact N-O 2.8Å; S90-F95 PolarHBondContact OG-N 2.82Å
91	V	92	Very high	91.8	Very high	128 Å²	128	47.6 Å²	47.6	78%	0.776	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.9	-176.7	-179.8	0	0	0	0	112.6	G93	V91-G93 VanDerWaalsContact C-N 3.27Å
92	D	91.6	Very high	92	Very high	49 Å²	49	49.5 Å²	49.5	26%	0.262	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.2	175.2	66	-9.4	0	0	0	113.6	S90 K94 Y177	S90-D92 VanDerWaalsContact CB-OD1 3.26Å; S90-D92 WeakPolarHBondContact CB-OD1 3.45Å; S90-D92 PolarHBondContact O-N 2.88Å; S90-D92 PolarHBondContact OG-OD1 2.68Å; D92-K94 PolarHBondContact O-N 2.64Å; D92-K94 PolarHBondContact OD1-N 3.07Å; D92-K94 WeakPolarHBondContact OD2-CD 3.43Å; D92-Y177 WeakPolarHBondContact OD2-CE1 3.33Å; D92-Y177 PolarHBondContact OD2-OH 2.81Å
93	G	91.1	Very high	92.5	Very high	35 Å²	35	43.7 Å²	43.7	36%	0.361	23%	0.234	S	C	.	.	S	Bend	trans	72.9	5.4	177	0	0	0	0	0	115.3	Q56 S90 V91	Q56-G93 WeakPolarHBondContact CG-O 3.1Å; Q56-G93 PolarHBondContact NE2-O 2.83Å; S90-G93 WeakPolarHBondContact O-CA 3.4Å; S90-G93 PolarHBondContact O-N 2.58Å; V91-G93 VanDerWaalsContact C-N 3.27Å
94	K	91.1	Very high	92.7	Very high	75 Å²	75	44.9 Å²	44.9	33%	0.326	24%	0.241	S	C	.	.			trans	-84	-25.3	-175.9	-66.9	-170.9	-173.5	173.5	0	114.6	Q56 K57 S90 D92 Y177 D353	Q56-K94 VanDerWaalsContact CA-O 3.29Å; Q56-K94 WeakPolarHBondContact CA-O 3.38Å; K57-K94 PolarHBondContact N-O 2.94Å; S90-K94 PolarHBondContact OG-N 2.77Å; D92-K94 PolarHBondContact O-N 2.64Å; D92-K94 PolarHBondContact OD1-N 3.07Å; D92-K94 WeakPolarHBondContact OD2-CD 3.43Å; K94-Y177 WeakPolarHBondContact CD-OH 3.39Å; K94-Y177 PolarHBondContact NZ-OH 3.39Å; K94-D353 IonicContact NZ-OD2 3.58Å; K94-D353 PolarHBondContact NZ-OD2 3.14Å
95	F	92.8	Very high	92.9	Very high	14 Å²	14	43.8 Å²	43.8	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.4	-173.2	-57.1	-75.6	0	0	0	113.1	K57 L59 R89 S90 I97 Y177 L356	K57-F95 HydrophobicContact CB-CD1 4.4Å; K57-F95 HydrophobicContact CB-CE1 4.45Å; K57-F95 VanDerWaalsContact O-CA 3.29Å; K57-F95 WeakPolarHBondContact O-CA 3.44Å; L59-F95 HydrophobicContact CB-CD1 4.2Å; L59-F95 HydrophobicContact CB-CG 4.47Å; L59-F95 HydrophobicContact CD1-CD1 3.95Å; L59-F95 HydrophobicContact CD1-CD2 4.19Å; L59-F95 HydrophobicContact CD1-CE1 3.91Å; L59-F95 HydrophobicContact CD1-CE2 4.15Å; L59-F95 HydrophobicContact CD1-CG 4.09Å; L59-F95 HydrophobicContact CD1-CZ 4.01Å; R89-F95 CarbonylContact C-O 3.53Å; R89-F95 VanDerWaalsContact CA-O 3.3Å; R89-F95 WeakPolarHBondContact CA-O 3.31Å; S90-F95 PolarHBondContact N-O 2.8Å; S90-F95 PolarHBondContact OG-N 2.82Å; F95-I97 HydrophobicContact CB-CG2 4.15Å; F95-Y177 HydrophobicContact CD2-CE1 4.41Å; F95-Y177 HydrophobicContact CE2-CD1 4.47Å; F95-Y177 AromaticContact CE2-CE1 3.85Å; F95-Y177 HydrophobicContact CE2-CE1 3.85Å; F95-Y177 HydrophobicContact CE2-CE2 4.1Å; F95-Y177 AromaticContact CE2-CZ 3.68Å; F95-L356 HydrophobicContact CZ-CD1 4.09Å
96	L	93.5	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.7	157.5	-173.5	73.3	0	0	0	107.6	C50 L52 K57 Y58 Y84 R88 R89	C50-L96 HydrophobicContact CB-CD1 4.3Å; C50-L96 HydrophobicContact CB-CD2 3.91Å; L52-L96 HydrophobicContact CD2-CB 3.89Å; L52-L96 HydrophobicContact CD2-CD2 4.41Å; K57-L96 PolarHBondContact O-N 3.18Å; Y58-L96 HydrophobicContact CD1-CD2 4.49Å; Y58-L96 HydrophobicContact CE1-CD2 3.74Å; Y84-L96 HydrophobicContact CD1-CD2 3.97Å; Y84-L96 HydrophobicContact CD1-CG 3.86Å; Y84-L96 HydrophobicContact CE1-CD2 4.36Å; Y84-L96 HydrophobicContact CE1-CG 4.15Å; R88-L96 WeakPolarHBondContact O-CD1 3.48Å; R89-L96 HydrophobicContact CG-CD1 4.18Å
97	I	92.8	Very high	92.6	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.229	C	C	.	.			trans	-114	139.9	-170.8	67.1	176.6	0	0	0	111	Y84 R88 F95 I101 V103	Y84-I97 WeakPolarHBondContact CD1-O 3.46Å; Y84-I97 VanDerWaalsContact CE1-C 3.42Å; R88-I97 HydrophobicContact CB-CD1 3.92Å; R88-I97 HydrophobicContact CB-CG1 3.48Å; R88-I97 VanDerWaalsContact CB-CG1 3.48Å; R88-I97 WeakPolarHBondContact O-CG1 3.43Å; R88-I97 PolarHBondContact O-N 2.89Å; F95-I97 HydrophobicContact CB-CG2 4.15Å; I97-I101 HydrophobicContact CB-CD1 4.2Å; I97-I101 HydrophobicContact CB-CG1 4.17Å; I97-V103 HydrophobicContact CB-CG2 4.36Å; I97-V103 HydrophobicContact CG2-CB 4.34Å; I97-V103 HydrophobicContact CG2-CG2 3.63Å
98	P	93.8	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.			trans	-54.9	157.3	171.2	-25.9	29.2	0	0	0	114.1	L62 V81 K83 Y84 R88 E100 I101	L62-P98 HydrophobicContact CD1-CG 4.45Å; L62-P98 HydrophobicContact CD2-CG 4.03Å; V81-P98 VanDerWaalsContact O-CB 3.3Å; V81-P98 WeakPolarHBondContact O-CB 3.49Å; V81-P98 WeakPolarHBondContact O-CG 3.43Å; K83-P98 WeakPolarHBondContact O-CA 3.49Å; Y84-P98 HydrophobicContact CE1-CB 4.41Å; Y84-P98 VanDerWaalsContact CE1-CD 3.45Å; Y84-P98 HydrophobicContact CE1-CG 3.87Å; Y84-P98 VanDerWaalsContact CE1-N 3.31Å; Y84-P98 HydrophobicContact CE2-CG 4.24Å; Y84-P98 WeakPolarHBondContact OH-CG 2.98Å; R88-P98 PolarHBondContact NH1-O 3.14Å; P98-E100 VanDerWaalsContact C-N 3.25Å; P98-E100 PolarHBondContact O-N 3.37Å; P98-I101 HydrophobicContact CB-CG1 4.08Å; P98-I101 HydrophobicContact CB-CG2 4.39Å; P98-I101 HydrophobicContact CG-CD1 4.1Å; P98-I101 HydrophobicContact CG-CG1 4.14Å; P98-I101 PolarHBondContact O-N 2.99Å
99	D	92.9	Very high	91.2	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.048	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.2	-178	-66.3	-17.2	0	0	0	112.5	K83 Y84 S85 L86 R88 I182	K83-D99 WeakPolarHBondContact CG-OD2 3.35Å; K83-D99 VanDerWaalsContact O-CG 3.29Å; K83-D99 PolarHBondContact O-N 3.18Å; Y84-D99 VanDerWaalsContact C-OD1 3.25Å; S85-D99 WeakPolarHBondContact CA-OD2 3.29Å; S85-D99 WeakPolarHBondContact CB-OD2 3.35Å; S85-D99 PolarHBondContact N-OD1 2.56Å; S85-D99 PolarHBondContact N-OD2 2.92Å; S85-D99 PolarHBondContact OG-OD2 3.5Å; L86-D99 VanDerWaalsContact CB-OD1 3.25Å; L86-D99 WeakPolarHBondContact CB-OD1 3.08Å; L86-D99 HydrophobicContact CD1-CB 4.13Å; L86-D99 HydrophobicContact CG-CB 4.36Å; L86-D99 WeakPolarHBondContact CG-OD1 3.4Å; L86-D99 PolarHBondContact N-OD1 3.35Å; R88-D99 PolarHBondContact NH1-O 3.2Å; D99-I182 WeakPolarHBondContact O-CD1 3.15Å
100	E	93.3	Very high	90.4	Very high	32 Å²	32	50.2 Å²	50.2	15%	0.15	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.6	-171.9	-61.5	-60.4	158.2	0	0	114.3	I79 D80 P98 I182 S185	I79-E100 HydrophobicContact CG2-CB 4.36Å; D80-E100 WeakPolarHBondContact O-CG 3.41Å; P98-E100 VanDerWaalsContact C-N 3.25Å; P98-E100 PolarHBondContact O-N 3.37Å; E100-I182 PolarHBondContact O-N 2.78Å; E100-S185 PolarHBondContact O-OG 3.2Å; E100-S185 WeakPolarHBondContact OE2-CA 3.39Å; E100-S185 VanDerWaalsContact OE2-CB 3.31Å; E100-S185 WeakPolarHBondContact OE2-CB 3.3Å; E100-S185 PolarHBondContact OE2-OG 2.89Å
101	I	94.7	Very high	89.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	162	-178	74	160.7	0	0	0	113.4	L59 L62 P63 V81 R88 I97 P98 V103 I179 Q180 L181	L59-I101 HydrophobicContact CD2-CD1 4.05Å; L62-I101 HydrophobicContact CD2-CD1 3.91Å; P63-I101 HydrophobicContact CG-CG2 4.08Å; V81-I101 HydrophobicContact CG1-CG2 4.19Å; R88-I101 PolarHBondContact NH1-O 3.44Å; R88-I101 PolarHBondContact NH2-O 2.67Å; I97-I101 HydrophobicContact CB-CD1 4.2Å; I97-I101 HydrophobicContact CB-CG1 4.17Å; P98-I101 HydrophobicContact CB-CG1 4.08Å; P98-I101 HydrophobicContact CB-CG2 4.39Å; P98-I101 HydrophobicContact CG-CD1 4.1Å; P98-I101 HydrophobicContact CG-CG1 4.14Å; P98-I101 PolarHBondContact O-N 2.99Å; I101-V103 HydrophobicContact CD1-CG2 3.77Å; I101-V103 HydrophobicContact CG1-CG2 4.49Å; I101-I179 HydrophobicContact CD1-CG2 3.92Å; I101-Q180 CarbonylContact C-O 3.56Å; I101-Q180 WeakPolarHBondContact CA-O 3.49Å; I101-L181 HydrophobicContact CG2-CD2 4.09Å
102	T	94.9	Very high	88.7	Confident	44 Å²	44	52.4 Å²	52.4	27%	0.27	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.8	163.4	60.9	0	0	0	0	109.8	I179 Q180 I182	T102-I179 WeakPolarHBondContact O-CA 3.5Å; T102-Q180 PolarHBondContact N-O 3.29Å; T102-Q180 PolarHBondContact O-N 2.87Å; T102-Q180 WeakPolarHBondContact OG1-CG 3.37Å; T102-Q180 PolarHBondContact OG1-NE2 3.26Å; T102-Q180 VanDerWaalsContact OG1-NE2 3.14Å; T102-I182 HydrophobicContact CG2-CD1 4.2Å; T102-I182 HydrophobicContact CG2-CG1 3.88Å
103	V	95.3	Very high	88.2	Confident	13 Å²	13	51.9 Å²	51.9	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.2	-178.1	-179.3	0	0	0	0	108.8	L59 I97 I101 Y177 I179	L59-V103 HydrophobicContact CD2-CG2 3.72Å; I97-V103 HydrophobicContact CB-CG2 4.36Å; I97-V103 HydrophobicContact CG2-CB 4.34Å; I97-V103 HydrophobicContact CG2-CG2 3.63Å; I101-V103 HydrophobicContact CD1-CG2 3.77Å; I101-V103 HydrophobicContact CG1-CG2 4.49Å; V103-Y177 HydrophobicContact CG1-CD1 3.89Å; V103-I179 HydrophobicContact CG1-CG1 4.2Å; V103-I179 HydrophobicContact CG2-CG1 4.28Å; V103-I179 HydrophobicContact CG2-CG2 4.15Å
104	Q	94.8	Very high	88	Confident	115 Å²	115	52 Å²	52	54%	0.537	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115	176.3	-178	179.3	-1.4	0	0	110	I106 Y177 F178	Q104-I106 PolarHBondContact O-N 2.89Å; Q104-Y177 WeakPolarHBondContact O-CA 3.48Å; Q104-F178 HydrophobicContact CB-CB 4.41Å; Q104-F178 PolarHBondContact N-O 3.01Å; Q104-F178 PolarHBondContact O-N 2.97Å
105	P	94.2	Very high	88.1	Confident	24 Å²	24	49.5 Å²	49.5	16%	0.156	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.6	170.8	27.1	-31.6	0	0	0	110.4	K107 Y177	P105-K107 PolarHBondContact O-N 2.75Å; P105-Y177 HydrophobicContact CB-CD1 4.05Å; P105-Y177 HydrophobicContact CB-CE1 3.76Å
106	I	92.1	Very high	88.1	Confident	26 Å²	26	52.1 Å²	52.1	13%	0.133	27%	0.268	C	S	.	.			trans	-87.5	108.2	174.9	-59.4	172.6	0	0	0	107.2	Q104 N108 N175 R176 F178 Y265	Q104-I106 PolarHBondContact O-N 2.89Å; I106-N108 WeakPolarHBondContact CG2-OD1 3.5Å; I106-N175 HydrophobicContact CD1-CB 3.82Å; I106-R176 WeakPolarHBondContact CB-O 3.18Å; I106-R176 PolarHBondContact N-O 3.45Å; I106-F178 HydrophobicContact CD1-CB 4.09Å; I106-F178 HydrophobicContact CG1-CB 4.35Å; I106-Y265 HydrophobicContact CD1-CD1 3.71Å; I106-Y265 HydrophobicContact CD1-CE1 3.74Å
107	K	83.5	Confident	88.2	Confident	176 Å²	176	53.8 Å²	53.8	77%	0.765	28%	0.278	S	S	*	.			trans	-98.1	-2.8	-172.9	-65	-173.4	179.9	-179.1	0	114.3	P105	P105-K107 PolarHBondContact O-N 2.75Å
108	N	83.6	Confident	88.1	Confident	105 Å²	105	54.5 Å²	54.5	56%	0.561	28%	0.28	S	S	*	.			trans	-89.7	135	169.2	60	-26	0	0	0	110	I106	I106-N108 WeakPolarHBondContact CG2-OD1 3.5Å
109	S	72	Confident	87.7	Confident	84 Å²	84	56.4 Å²	56.4	59%	0.587	29%	0.289	S	S	*	.			trans	-98.2	100.9	172.4	-172.5	0	0	0	0	108	H174	S109-H174 PolarHBondContact OG-CE1 2.88Å
110	E	75.4	Confident	87.3	Confident	112 Å²	112	56.4 Å²	56.4	52%	0.523	29%	0.29	S	S	.	.			trans	-113.3	108.8	170.7	-170.6	-173.3	179.9	0	0	107.8	K112	E110-K112 HydrophobicContact CG-CG 4.01Å; E110-K112 PolarHBondContact O-N 3.47Å; E110-K112 WeakPolarHBondContact OE1-CE 3.35Å; E110-K112 IonicContact OE1-NZ 3.72Å; E110-K112 WeakPolarHBondContact OE2-CE 3.41Å; E110-K112 IonicContact OE2-NZ 3.93Å
111	I	73.7	Confident	87	Confident	71 Å²	71	55.8 Å²	55.8	36%	0.364	29%	0.288	S	S	.	.			trans	-90.3	97	174.2	-58.9	177.6	0	0	0	107.1	L113 M172 E349	I111-L113 PolarHBondContact O-N 3.15Å; I111-M172 HydrophobicContact CG2-CE 3.99Å; I111-M172 HydrophobicContact CG2-CG 3.34Å; I111-M172 HydrophobicContact CG2-SD 3.73Å; I111-E349 WeakPolarHBondContact CD1-OE1 3.31Å
112	K	74.6	Confident	86.6	Confident	110 Å²	110	56.8 Å²	56.8	48%	0.478	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.7	177.2	-68.1	-174.5	178.8	-179.8	0	109.3	E110 M172	E110-K112 HydrophobicContact CG-CG 4.01Å; E110-K112 PolarHBondContact O-N 3.47Å; E110-K112 WeakPolarHBondContact OE1-CE 3.35Å; E110-K112 IonicContact OE1-NZ 3.72Å; E110-K112 WeakPolarHBondContact OE2-CE 3.41Å; E110-K112 IonicContact OE2-NZ 3.93Å; K112-M172 WeakPolarHBondContact O-CA 3.21Å
113	L	82.7	Confident	86.1	Confident	39 Å²	39	59 Å²	59	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.7	168	-161.5	73.2	0	0	0	108.9	I111 E171 M172 T296 F299 A300 L307	I111-L113 PolarHBondContact O-N 3.15Å; L113-E171 WeakPolarHBondContact CA-O 3.29Å; L113-M172 HydrophobicContact CD1-CB 4.23Å; L113-M172 HydrophobicContact CD1-CE 4.14Å; L113-T296 HydrophobicContact CB-CG2 4.48Å; L113-T296 HydrophobicContact CD2-CG2 3.42Å; L113-T296 VanDerWaalsContact CD2-CG2 3.42Å; L113-T296 HydrophobicContact CG-CG2 3.77Å; L113-F299 HydrophobicContact CD1-CD1 3.38Å; L113-F299 HydrophobicContact CD1-CE1 3.49Å; L113-F299 VanDerWaalsContact CD1-CE1 3.49Å; L113-F299 HydrophobicContact CG-CD1 4.39Å; L113-A300 HydrophobicContact CD2-CB 3.78Å; L113-L307 HydrophobicContact CD2-CD1 4.08Å; L113-L307 HydrophobicContact CD2-CD2 3.74Å; L113-L307 HydrophobicContact CD2-CG 4.4Å
114	S	86.9	Confident	85.9	Confident	36 Å²	36	58.8 Å²	58.8	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.1	-179.9	61.6	0	0	0	0	110.5	R125 S170 E171	S114-R125 PolarHBondContact OG-NH2 3.02Å; S114-R125 VanDerWaalsContact OG-NH2 3.14Å; S114-S170 CarbonylContact O-C 3.42Å; S114-S170 VanDerWaalsContact O-CA 3.28Å; S114-S170 WeakPolarHBondContact O-CA 3.38Å; S114-E171 PolarHBondContact N-O 3.25Å; S114-E171 PolarHBondContact O-N 3.25Å
115	S	93.1	Very high	85.8	Confident	23 Å²	23	55.2 Å²	55.2	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.1	168.6	-54.3	0	0	0	0	110.5	Q169 S170 G292 T296	S115-Q169 VanDerWaalsContact CA-O 3.28Å; S115-Q169 WeakPolarHBondContact CA-O 3.37Å; S115-S170 WeakPolarHBondContact OG-CB 3.44Å; S115-S170 PolarHBondContact OG-OG 2.65Å; S115-G292 VanDerWaalsContact CB-O 3.3Å; S115-G292 WeakPolarHBondContact CB-O 3.25Å; S115-G292 PolarHBondContact OG-O 2.87Å; S115-T296 VanDerWaalsContact CB-OG1 3.27Å; S115-T296 WeakPolarHBondContact CB-OG1 3Å; S115-T296 WeakPolarHBondContact OG-CA 3.34Å; S115-T296 PolarHBondContact OG-N 3.34Å; S115-T296 PolarHBondContact OG-OG1 3.14Å
116	E	93.4	Very high	85.7	Confident	69 Å²	69	54.7 Å²	54.7	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.9	175.7	-69.5	-174.6	-167.6	0	0	110.6	Y118 R125 I168 Q169	E116-Y118 HydrophobicContact CB-CE1 4.38Å; E116-Y118 HydrophobicContact CB-CE2 3.99Å; E116-Y118 PolarHBondContact OE2-OH 3.16Å; E116-R125 IonicContact OE1-CZ 2.88Å; E116-R125 IonicContact OE1-NE 3.18Å; E116-R125 IonicContact OE1-NH1 2.78Å; E116-R125 PolarHBondContact OE1-NH1 3.38Å; E116-R125 IonicContact OE2-NH1 2.81Å; E116-I168 VanDerWaalsContact O-CA 3.31Å; E116-I168 WeakPolarHBondContact O-CA 2.91Å; E116-Q169 PolarHBondContact N-O 3.44Å; E116-Q169 PolarHBondContact O-N 2.71Å
117	V	94.5	Very high	85.8	Confident	36 Å²	36	53.8 Å²	53.8	22%	0.218	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.7	-176.3	-174.3	0	0	0	0	109.7	L166 I167 I168 R288	V117-L166 HydrophobicContact CG1-CB 3.98Å; V117-L166 HydrophobicContact CG1-CD1 3.97Å; V117-L166 HydrophobicContact CG1-CD2 4.28Å; V117-L166 HydrophobicContact CG1-CG 4.31Å; V117-I167 CarbonylContact C-O 3.35Å; V117-I167 WeakPolarHBondContact CA-O 3.4Å; V117-I168 HydrophobicContact CG1-CG1 4.39Å; V117-I168 HydrophobicContact CG2-CD1 4.06Å; V117-I168 HydrophobicContact CG2-CG1 4.13Å; V117-R288 HydrophobicContact CG1-CB 4.36Å
118	Y	91	Very high	86.3	Confident	20 Å²	20	46.3 Å²	46.3	8%	0.078	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.1	-177.7	-52.8	-74.7	0	0	0	111.9	E116 Q123 C124 R125 L166 I167 Q169	E116-Y118 HydrophobicContact CB-CE1 4.38Å; E116-Y118 HydrophobicContact CB-CE2 3.99Å; E116-Y118 PolarHBondContact OE2-OH 3.16Å; Y118-Q123 HydrophobicContact CD1-CB 4.13Å; Y118-Q123 WeakPolarHBondContact CD1-O 3.3Å; Y118-Q123 WeakPolarHBondContact CE1-O 3.47Å; Y118-C124 HydrophobicContact CD2-CB 4.14Å; Y118-C124 VanDerWaalsContact CD2-SG 3.57Å; Y118-C124 HydrophobicContact CE2-CB 4.22Å; Y118-C124 HydrophobicContact CG-CB 4.47Å; Y118-R125 WeakPolarHBondContact OH-CB 3.36Å; Y118-R125 WeakPolarHBondContact OH-CD 3.48Å; Y118-R125 WeakPolarHBondContact OH-CG 3.34Å; Y118-R125 PolarHBondContact OH-N 2.85Å; Y118-L166 WeakPolarHBondContact O-CA 3.28Å; Y118-I167 PolarHBondContact N-O 3.48Å; Y118-I167 PolarHBondContact O-N 2.81Å; Y118-Q169 HydrophobicContact CD2-CB 4.49Å; Y118-Q169 HydrophobicContact CE2-CB 3.82Å
119	E	85.5	Confident	86.9	Confident	40 Å²	40	41.3 Å²	41.3	19%	0.187	22%	0.217	C	C	.	.	S	Bend	trans	-92.2	-25.1	175.7	-62.9	177.3	161.2	0	0	112.3	L166 K285 R288	E119-L166 HydrophobicContact CG-CD2 4.18Å; E119-K285 WeakPolarHBondContact OE1-CE 3.33Å; E119-K285 IonicContact OE1-NZ 3.07Å; E119-R288 VanDerWaalsContact CD-NH1 3.33Å; E119-R288 IonicContact OE1-CZ 3.66Å; E119-R288 IonicContact OE1-NH1 3.2Å; E119-R288 PolarHBondContact OE1-NH1 2.56Å; E119-R288 IonicContact OE1-NH2 2.68Å; E119-R288 PolarHBondContact OE1-NH2 2.88Å
120	S	83.3	Confident	87.9	Confident	10 Å²	10	42.4 Å²	42.4	7%	0.07	21%	0.209	C	C	.	.	S	Bend	trans	-143.4	153.7	-178.4	66.2	0	0	0	0	111.5	S122 Q123	S120-S122 PolarHBondContact O-N 2.91Å; S120-Q123 WeakPolarHBondContact O-CB 3.17Å; S120-Q123 PolarHBondContact O-N 3.49Å; S120-Q123 VanDerWaalsContact O-N 3.13Å; S120-Q123 WeakPolarHBondContact OG-CG 3.41Å; S120-Q123 PolarHBondContact OG-OE1 3.4Å
121	I	87.9	Confident	88.8	Confident	18 Å²	18	38.9 Å²	38.9	9%	0.092	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61	-35.7	178.6	-61.7	173.4	0	0	0	111.4	Q123 C124 K153 L156 R157 L160 I167	I121-Q123 PolarHBondContact O-N 3.41Å; I121-C124 WeakPolarHBondContact O-CB 3.46Å; I121-C124 PolarHBondContact O-N 3.08Å; I121-C124 VanDerWaalsContact O-N 3.11Å; I121-K153 HydrophobicContact CG2-CB 4.02Å; I121-K153 HydrophobicContact CG2-CG 4.22Å; I121-L156 HydrophobicContact CD1-CG 4.21Å; I121-L156 HydrophobicContact CG1-CD2 4.21Å; I121-L156 HydrophobicContact CG1-CG 4.32Å; I121-L156 HydrophobicContact CG2-CB 4.46Å; I121-L156 HydrophobicContact CG2-CD2 4.22Å; I121-R157 HydrophobicContact CD1-CB 3.8Å; I121-R157 HydrophobicContact CD1-CG 4.21Å; I121-L160 HydrophobicContact CD1-CB 4.18Å; I121-L160 HydrophobicContact CD1-CD1 3.9Å; I121-L160 HydrophobicContact CD1-CG 4.44Å; I121-L160 HydrophobicContact CG1-CD1 4.13Å; I121-I167 HydrophobicContact CB-CD1 4.42Å; I121-I167 HydrophobicContact CG1-CD1 3.53Å
122	S	85.5	Confident	89.6	Confident	22 Å²	22	35.5 Å²	35.5	15%	0.154	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.6	-31.6	179.5	-47	0	0	0	0	111.7	S120 D148 K153 R157 M407	S120-S122 PolarHBondContact O-N 2.91Å; S122-D148 VanDerWaalsContact CA-OD1 3.28Å; S122-D148 WeakPolarHBondContact CA-OD1 3.37Å; S122-D148 WeakPolarHBondContact CB-OD1 3.4Å; S122-D148 PolarHBondContact OG-OD1 3.42Å; S122-K153 PolarHBondContact O-NZ 2.75Å; S122-R157 PolarHBondContact OG-NH2 2.97Å; S122-R157 VanDerWaalsContact OG-NH2 3.11Å; S122-M407 VanDerWaalsContact CB-CE 3.45Å
123	Q	85.7	Confident	90.5	Very high	91 Å²	91	31.2 Å²	31.2	43%	0.425	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-78.9	-19	176.8	-70.3	169.6	-18.6	0	0	114.4	Y118 S120 I121 R125	Y118-Q123 HydrophobicContact CD1-CB 4.13Å; Y118-Q123 WeakPolarHBondContact CD1-O 3.3Å; Y118-Q123 WeakPolarHBondContact CE1-O 3.47Å; S120-Q123 WeakPolarHBondContact O-CB 3.17Å; S120-Q123 PolarHBondContact O-N 3.49Å; S120-Q123 VanDerWaalsContact O-N 3.13Å; S120-Q123 WeakPolarHBondContact OG-CG 3.41Å; S120-Q123 PolarHBondContact OG-OE1 3.4Å; I121-Q123 PolarHBondContact O-N 3.41Å; Q123-R125 PolarHBondContact O-N 3.37Å
124	C	90.2	Very high	90.6	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.047	17%	0.171	C	C	.	.	S	Bend	trans	-57.4	136.9	-178.6	-64.6	0	0	0	0	111.2	Y118 I121 K153	Y118-C124 HydrophobicContact CD2-CB 4.14Å; Y118-C124 VanDerWaalsContact CD2-SG 3.57Å; Y118-C124 HydrophobicContact CE2-CB 4.22Å; Y118-C124 HydrophobicContact CG-CB 4.47Å; I121-C124 WeakPolarHBondContact O-CB 3.46Å; I121-C124 PolarHBondContact O-N 3.08Å; I121-C124 VanDerWaalsContact O-N 3.11Å; C124-K153 WeakPolarHBondContact O-CE 3.25Å; C124-K153 PolarHBondContact O-NZ 2.82Å
125	R	92.2	Very high	90.1	Very high	41 Å²	41	32.5 Å²	32.5	16%	0.155	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-75	143.6	177.5	79.8	-176	179	-176.6	-3.2	111.2	S114 E116 Y118 Q123 L127 Y130 Q169 E171	S114-R125 PolarHBondContact OG-NH2 3.02Å; S114-R125 VanDerWaalsContact OG-NH2 3.14Å; E116-R125 IonicContact OE1-CZ 2.88Å; E116-R125 IonicContact OE1-NE 3.18Å; E116-R125 IonicContact OE1-NH1 2.78Å; E116-R125 PolarHBondContact OE1-NH1 3.38Å; E116-R125 IonicContact OE2-NH1 2.81Å; Y118-R125 WeakPolarHBondContact OH-CB 3.36Å; Y118-R125 WeakPolarHBondContact OH-CD 3.48Å; Y118-R125 WeakPolarHBondContact OH-CG 3.34Å; Y118-R125 PolarHBondContact OH-N 2.85Å; Q123-R125 PolarHBondContact O-N 3.37Å; R125-L127 PolarHBondContact O-N 2.89Å; R125-Y130 HydrophobicContact CB-CD2 3.91Å; R125-Y130 HydrophobicContact CB-CE2 4.26Å; R125-Q169 PolarHBondContact O-NE2 2.99Å; R125-Q169 PolarHBondContact O-OE1 3.03Å; R125-E171 IonicContact CZ-OE2 3.95Å; R125-E171 IonicContact NE-OE2 3.53Å; R125-E171 PolarHBondContact NE-OE2 3.31Å; R125-E171 VanDerWaalsContact NH2-CG 3.3Å; R125-E171 IonicContact NH2-OE1 2.83Å; R125-E171 PolarHBondContact NH2-OE1 3.07Å; R125-E171 IonicContact NH2-OE2 2.89Å; R125-E171 PolarHBondContact NH2-OE2 3.49Å
126	S	93.7	Very high	88.4	Confident	12 Å²	12	38 Å²	38	8%	0.084	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-69	131	173.8	-178.4	0	0	0	0	111	N72 V128 A129 N133	N72-S126 PolarHBondContact ND2-OG 2.85Å; S126-V128 VanDerWaalsContact C-N 3.34Å; S126-V128 PolarHBondContact O-N 2.78Å; S126-A129 PolarHBondContact OG-N 2.83Å; S126-N133 WeakPolarHBondContact CB-ND2 3.41Å
127	L	93.6	Very high	86.4	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-68.5	-30.6	178.9	-73.1	169.5	0	0	0	113.2	R125 Q169 E171 R173 V269 A271 L331 Y333 I359	R125-L127 PolarHBondContact O-N 2.89Å; L127-Q169 HydrophobicContact CD2-CG 4.33Å; L127-E171 HydrophobicContact CD2-CB 4.29Å; L127-E171 WeakPolarHBondContact CD2-OE2 3.45Å; L127-R173 PolarHBondContact O-NH2 2.88Å; L127-V269 HydrophobicContact CD2-CG1 4.29Å; L127-A271 HydrophobicContact CD1-CB 3.7Å; L127-A271 HydrophobicContact CD2-CB 3.62Å; L127-A271 HydrophobicContact CG-CB 4.36Å; L127-L331 HydrophobicContact CD1-CB 4.44Å; L127-L331 HydrophobicContact CD1-CD1 3.65Å; L127-Y333 HydrophobicContact CB-CE2 4.17Å; L127-Y333 HydrophobicContact CD1-CE2 3.78Å; L127-I359 VanDerWaalsContact O-O 3.12Å
128	V	94.8	Very high	84.1	Confident	19 Å²	19	36.8 Å²	36.8	12%	0.115	22%	0.222	C	C	.	.	S	Bend	trans	-117.3	-1.4	-170.8	-62.8	0	0	0	0	114.6	S126 Y333 I359 D360 R361	S126-V128 VanDerWaalsContact C-N 3.34Å; S126-V128 PolarHBondContact O-N 2.78Å; V128-Y333 HydrophobicContact CG1-CD1 3.54Å; V128-Y333 HydrophobicContact CG1-CD2 4.15Å; V128-Y333 HydrophobicContact CG1-CE1 3.73Å; V128-Y333 HydrophobicContact CG1-CE2 4.34Å; V128-Y333 HydrophobicContact CG1-CG 3.76Å; V128-I359 CarbonylContact C-O 3.54Å; V128-I359 VanDerWaalsContact CA-O 3.29Å; V128-I359 WeakPolarHBondContact CA-O 3.4Å; V128-D360 WeakPolarHBondContact O-CA 3.18Å; V128-R361 PolarHBondContact O-NH1 3.3Å
129	A	95.3	Very high	81.6	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.			trans	-150	37.7	-173.8	0	0	0	0	0	111.5	W67 S126 I132 N133	W67-A129 HydrophobicContact CH2-CB 3.97Å; W67-A129 HydrophobicContact CZ2-CB 3.44Å; W67-A129 VanDerWaalsContact CZ2-CB 3.44Å; S126-A129 PolarHBondContact OG-N 2.83Å; A129-I132 HydrophobicContact CB-CG2 3.74Å; A129-I132 WeakPolarHBondContact O-CG2 3.05Å; A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 VanDerWaalsContact O-CG 3.27Å; A129-N133 PolarHBondContact O-N 2.95Å; A129-N133 PolarHBondContact O-ND2 3.43Å
130	Y	93	Very high	80	Confident	107 Å²	107	48.2 Å²	48.2	42%	0.42	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-47.9	-177.8	172.4	-108.7	0	0	0	111.5	R125 I132 N133 S134 D360	R125-Y130 HydrophobicContact CB-CD2 3.91Å; R125-Y130 HydrophobicContact CB-CE2 4.26Å; Y130-I132 PolarHBondContact O-N 2.91Å; Y130-N133 PolarHBondContact O-N 2.91Å; Y130-S134 WeakPolarHBondContact CD2-OG 3.48Å; Y130-S134 VanDerWaalsContact CE2-OG 3.22Å; Y130-S134 WeakPolarHBondContact CE2-OG 3.36Å; Y130-S134 WeakPolarHBondContact O-CB 3.22Å; Y130-S134 PolarHBondContact O-N 3.34Å; Y130-S134 PolarHBondContact O-OG 3.33Å; Y130-D360 PolarHBondContact N-OD1 2.97Å
131	S	93.6	Very high	78.4	Confident	38 Å²	38	50.2 Å²	50.2	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-42.9	-172.6	-68.7	0	0	0	0	112.4	S134 A135 D360 R361 S362	S131-S134 PolarHBondContact O-N 2.74Å; S131-A135 PolarHBondContact O-N 2.79Å; S131-A135 VanDerWaalsContact O-N 3.15Å; S131-D360 WeakPolarHBondContact CB-OD2 3.27Å; S131-D360 PolarHBondContact N-OD1 2.99Å; S131-D360 PolarHBondContact OG-OD2 3.11Å; S131-R361 CarbonylContact C-O 3.54Å; S131-R361 WeakPolarHBondContact CB-O 3.3Å; S131-S362 VanDerWaalsContact CB-OG 3.24Å; S131-S362 WeakPolarHBondContact CB-OG 3.2Å
132	I	92.3	Very high	76.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.6	-29.2	176.9	-164.8	159.9	0	0	0	113.4	W67 N69 A129 Y130 H259 R361	W67-I132 HydrophobicContact CB-CD1 4.19Å; W67-I132 HydrophobicContact CD2-CD1 4.48Å; W67-I132 HydrophobicContact CG-CD1 3.78Å; W67-I132 HydrophobicContact CZ2-CG2 4.32Å; N69-I132 PolarHBondContact ND2-O 2.81Å; A129-I132 HydrophobicContact CB-CG2 3.74Å; A129-I132 WeakPolarHBondContact O-CG2 3.05Å; Y130-I132 PolarHBondContact O-N 2.91Å; I132-H259 HydrophobicContact CD1-CB 4Å; I132-R361 VanDerWaalsContact CB-O 3.32Å; I132-R361 WeakPolarHBondContact CB-O 3.41Å; I132-R361 HydrophobicContact CG2-CB 4.32Å; I132-R361 PolarHBondContact N-O 2.83Å
133	N	91.9	Very high	75.6	Confident	21 Å²	21	53.4 Å²	53.4	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-77.2	-28.6	175.5	-76	-43.2	0	0	0	112.5	N69 N72 S126 A129 Y130 N146 G147	N69-N133 PolarHBondContact O-OD1 3.18Å; N69-N133 PolarHBondContact OD1-OD1 2.54Å; N69-N133 VanDerWaalsContact OD1-OD1 3.05Å; N72-N133 PolarHBondContact ND2-ND2 3.29Å; N72-N133 PolarHBondContact OD1-ND2 3.34Å; N72-N133 PolarHBondContact OD1-OD1 3.23Å; S126-N133 WeakPolarHBondContact CB-ND2 3.41Å; A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 VanDerWaalsContact O-CG 3.27Å; A129-N133 PolarHBondContact O-N 2.95Å; A129-N133 PolarHBondContact O-ND2 3.43Å; Y130-N133 PolarHBondContact O-N 2.91Å; N133-N146 HydrophobicContact CB-CB 3.91Å; N133-N146 WeakPolarHBondContact O-CB 3.32Å; N133-N146 PolarHBondContact O-ND2 3.48Å; N133-N146 WeakPolarHBondContact OD1-CB 3.5Å; N133-G147 PolarHBondContact OD1-N 2.85Å
134	S	85.8	Confident	75.2	Confident	57 Å²	57	58.4 Å²	58.4	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-90.4	-7.5	-178.5	-51.7	0	0	0	0	113.4	Y130 S131 V136	Y130-S134 WeakPolarHBondContact CD2-OG 3.48Å; Y130-S134 VanDerWaalsContact CE2-OG 3.22Å; Y130-S134 WeakPolarHBondContact CE2-OG 3.36Å; Y130-S134 WeakPolarHBondContact O-CB 3.22Å; Y130-S134 PolarHBondContact O-N 3.34Å; Y130-S134 PolarHBondContact O-OG 3.33Å; S131-S134 PolarHBondContact O-N 2.74Å; S134-V136 PolarHBondContact O-N 3.32Å; S134-V136 VanDerWaalsContact O-N 3.12Å
135	A	75.1	Confident	75.1	Confident	44 Å²	44	58.1 Å²	58.1	36%	0.364	31%	0.308	S	S	.	.			trans	-60.7	115	175.7	0	0	0	0	0	109.6	S131 G137	S131-A135 PolarHBondContact O-N 2.79Å; S131-A135 VanDerWaalsContact O-N 3.15Å; A135-G137 PolarHBondContact O-N 2.85Å
136	V	58.1	Low	75.1	Confident	139 Å²	139	57 Å²	57	84%	0.842	31%	0.305	S	S	*	.			trans	-73.2	93.7	-179.5	-177.6	0	0	0	0	108.6	S134 G138	S134-V136 PolarHBondContact O-N 3.32Å; S134-V136 VanDerWaalsContact O-N 3.12Å; V136-G138 PolarHBondContact O-N 3.17Å; V136-G138 VanDerWaalsContact O-N 3.09Å
137	G	51.5	Low	75.1	Confident	22 Å²	22	56.4 Å²	56.4	23%	0.227	30%	0.301	C	S	.	.			trans	-78.4	78	173.3	0	0	0	0	0	111.9	A135 F143	A135-G137 PolarHBondContact O-N 2.85Å; G137-F143 WeakPolarHBondContact O-CD2 3.47Å; G137-F143 VanDerWaalsContact O-CE2 3.28Å; G137-F143 WeakPolarHBondContact O-CE2 3.47Å
138	G	45.6	Very low	75	Confident	58 Å²	58	56.1 Å²	56.1	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-172.7	167.5	0	0	0	0	0	116.8	V136 Y140	V136-G138 PolarHBondContact O-N 3.17Å; V136-G138 VanDerWaalsContact O-N 3.09Å; G138-Y140 PolarHBondContact O-N 3.37Å
139	E	39.8	Very low	74.9	Confident	191 Å²	191	56.2 Å²	56.2	89%	0.893	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	0.2	-164.2	-74.2	177.8	136.3	0	0	118.2
140	Y	50.5	Low	74.9	Confident	109 Å²	109	56.4 Å²	56.4	43%	0.427	30%	0.3	S	S	.	.			trans	-101	125.6	-168.4	-62	-73.1	0	0	0	113.5	G138 Y142 F143	G138-Y140 PolarHBondContact O-N 3.37Å; Y140-Y142 PolarHBondContact O-N 2.74Å; Y140-Y142 VanDerWaalsContact O-N 3.09Å; Y140-F143 HydrophobicContact CD2-CE2 4.44Å; Y140-F143 PolarHBondContact O-N 3.25Å
141	S	49.8	Very low	74.8	Confident	51 Å²	51	53.7 Å²	53.7	36%	0.357	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.1	178.3	59.7	0	0	0	0	114.3	F143 R144	S141-F143 VanDerWaalsContact C-N 3.33Å; S141-F143 PolarHBondContact O-N 3.43Å; S141-R144 WeakPolarHBondContact O-CB 3.44Å; S141-R144 WeakPolarHBondContact O-CD 3.47Å; S141-R144 WeakPolarHBondContact O-CG 3.45Å; S141-R144 PolarHBondContact O-N 2.8Å
142	Y	56.8	Low	74.7	Confident	83 Å²	83	54.8 Å²	54.8	33%	0.325	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-72.1	-21	-175.6	-51.1	-68.4	0	0	0	113.5	Y140 R144 I145 Y398 K399 T402	Y140-Y142 PolarHBondContact O-N 2.74Å; Y140-Y142 VanDerWaalsContact O-N 3.09Å; Y142-R144 PolarHBondContact O-N 2.83Å; Y142-R144 VanDerWaalsContact O-N 3.07Å; Y142-I145 WeakPolarHBondContact O-CG1 3.37Å; Y142-Y398 WeakPolarHBondContact O-CD1 3.47Å; Y142-K399 HydrophobicContact CD2-CG 4.28Å; Y142-K399 HydrophobicContact CE2-CG 4.38Å; Y142-K399 HydrophobicContact CG-CG 4.42Å; Y142-T402 HydrophobicContact CD1-CG2 3.94Å; Y142-T402 HydrophobicContact CE1-CG2 4.39Å
143	F	59	Low	74.7	Confident	24 Å²	24	55.7 Å²	55.7	11%	0.105	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-70.9	-0.9	175.5	-67.2	-70.8	0	0	0	113.5	G137 Y140 S141 I145 N146 Y398	G137-F143 WeakPolarHBondContact O-CD2 3.47Å; G137-F143 VanDerWaalsContact O-CE2 3.28Å; G137-F143 WeakPolarHBondContact O-CE2 3.47Å; Y140-F143 HydrophobicContact CD2-CE2 4.44Å; Y140-F143 PolarHBondContact O-N 3.25Å; S141-F143 VanDerWaalsContact C-N 3.33Å; S141-F143 PolarHBondContact O-N 3.43Å; F143-I145 PolarHBondContact O-N 3.09Å; F143-N146 PolarHBondContact O-ND2 3.05Å; F143-N146 VanDerWaalsContact O-ND2 3.11Å; F143-N146 PolarHBondContact O-OD1 3.01Å; F143-Y398 HydrophobicContact CD1-CD1 4.14Å; F143-Y398 HydrophobicContact CD1-CD2 4.23Å; F143-Y398 AromaticContact CD1-CE1 3.86Å; F143-Y398 HydrophobicContact CD1-CE1 3.86Å; F143-Y398 AromaticContact CD1-CE2 3.97Å; F143-Y398 HydrophobicContact CD1-CE2 3.97Å; F143-Y398 HydrophobicContact CD1-CG 4.34Å; F143-Y398 AromaticContact CD1-CZ 3.78Å; F143-Y398 AromaticContact CE1-CD2 3.91Å; F143-Y398 HydrophobicContact CE1-CD2 3.91Å; F143-Y398 HydrophobicContact CE1-CE1 4.44Å; F143-Y398 AromaticContact CE1-CE2 3.73Å; F143-Y398 HydrophobicContact CE1-CE2 3.73Å; F143-Y398 HydrophobicContact CE1-CG 4.37Å
144	R	76.5	Confident	74.5	Confident	196 Å²	196	55.6 Å²	55.6	74%	0.74	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-71.2	-13.3	177.2	-67.8	177.8	176.9	-174.9	-1.1	114.1	S141 Y142 N146	S141-R144 WeakPolarHBondContact O-CB 3.44Å; S141-R144 WeakPolarHBondContact O-CD 3.47Å; S141-R144 WeakPolarHBondContact O-CG 3.45Å; S141-R144 PolarHBondContact O-N 2.8Å; Y142-R144 PolarHBondContact O-N 2.83Å; Y142-R144 VanDerWaalsContact O-N 3.07Å; R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 PolarHBondContact O-N 3.42Å
145	I	88.6	Confident	74.7	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-91.3	13	-179	66.2	161.6	0	0	0	113.3	L70 Y142 F143 G147 D148 F149 Y398 N401 N419 V420	L70-I145 HydrophobicContact CD1-CD1 4.16Å; L70-I145 HydrophobicContact CD2-CB 4.46Å; L70-I145 HydrophobicContact CD2-CD1 3.54Å; L70-I145 HydrophobicContact CD2-CG1 3.53Å; Y142-I145 WeakPolarHBondContact O-CG1 3.37Å; F143-I145 PolarHBondContact O-N 3.09Å; I145-G147 PolarHBondContact O-N 2.81Å; I145-D148 HydrophobicContact CB-CB 4.44Å; I145-D148 VanDerWaalsContact O-CB 3.24Å; I145-D148 WeakPolarHBondContact O-CB 3.26Å; I145-D148 PolarHBondContact O-N 3.09Å; I145-D148 VanDerWaalsContact O-N 3.11Å; I145-F149 HydrophobicContact CD1-CE2 4.48Å; I145-Y398 HydrophobicContact CD1-CD1 4.14Å; I145-Y398 HydrophobicContact CG1-CD1 3.83Å; I145-Y398 HydrophobicContact CG1-CE1 4.32Å; I145-N401 HydrophobicContact CD1-CB 4.03Å; I145-N419 HydrophobicContact CG2-CB 3.85Å; I145-N419 WeakPolarHBondContact CG2-OD1 3.32Å; I145-V420 HydrophobicContact CG2-CG2 3.54Å
146	N	91.8	Very high	75.3	Confident	16 Å²	16	53.4 Å²	53.4	9%	0.086	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	124.7	176.2	-76.6	-13.3	0	0	0	111.5	N69 N133 F143 R144 D148 Y398	N69-N146 PolarHBondContact ND2-ND2 2.94Å; N69-N146 PolarHBondContact ND2-OD1 2.8Å; N69-N146 VanDerWaalsContact ND2-OD1 3.15Å; N133-N146 HydrophobicContact CB-CB 3.91Å; N133-N146 WeakPolarHBondContact O-CB 3.32Å; N133-N146 PolarHBondContact O-ND2 3.48Å; N133-N146 WeakPolarHBondContact OD1-CB 3.5Å; F143-N146 PolarHBondContact O-ND2 3.05Å; F143-N146 VanDerWaalsContact O-ND2 3.11Å; F143-N146 PolarHBondContact O-OD1 3.01Å; R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 PolarHBondContact O-N 3.42Å; N146-D148 PolarHBondContact O-N 2.83Å; N146-Y398 VanDerWaalsContact OD1-CE1 3.27Å; N146-Y398 WeakPolarHBondContact OD1-CE1 3.26Å; N146-Y398 PolarHBondContact OD1-OH 2.59Å
147	G	92.8	Very high	76.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	2	178.7	0	0	0	0	0	115.4	N69 L70 N72 N133 I145 F149 S150 K153	N69-G147 VanDerWaalsContact O-CA 3.24Å; N69-G147 WeakPolarHBondContact O-CA 3.48Å; N69-G147 PolarHBondContact O-N 3.03Å; L70-G147 CarbonylContact O-C 3.45Å; L70-G147 VanDerWaalsContact O-C 3.27Å; L70-G147 WeakPolarHBondContact O-CA 3.37Å; N72-G147 WeakPolarHBondContact ND2-CA 3.47Å; N133-G147 PolarHBondContact OD1-N 2.85Å; I145-G147 PolarHBondContact O-N 2.81Å; G147-F149 VanDerWaalsContact C-N 3.3Å; G147-F149 PolarHBondContact O-N 3.26Å; G147-S150 WeakPolarHBondContact O-CB 3.3Å; G147-S150 PolarHBondContact O-N 3.22Å; G147-S150 VanDerWaalsContact O-N 3.09Å; G147-S150 PolarHBondContact O-OG 2.75Å; G147-K153 WeakPolarHBondContact O-CD 3.31Å
148	D	92.2	Very high	78.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.011	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.1	-171.9	-174	48.1	0	0	0	113.6	L70 S122 I145 N146 S150 R157 N419 R728	L70-D148 PolarHBondContact O-N 2.85Å; S122-D148 VanDerWaalsContact CA-OD1 3.28Å; S122-D148 WeakPolarHBondContact CA-OD1 3.37Å; S122-D148 WeakPolarHBondContact CB-OD1 3.4Å; S122-D148 PolarHBondContact OG-OD1 3.42Å; I145-D148 HydrophobicContact CB-CB 4.44Å; I145-D148 VanDerWaalsContact O-CB 3.24Å; I145-D148 WeakPolarHBondContact O-CB 3.26Å; I145-D148 PolarHBondContact O-N 3.09Å; I145-D148 VanDerWaalsContact O-N 3.11Å; N146-D148 PolarHBondContact O-N 2.83Å; D148-S150 VanDerWaalsContact C-N 3.33Å; D148-R157 IonicContact OD1-NH2 3.46Å; D148-R157 PolarHBondContact OD1-NH2 2.88Å; D148-N419 WeakPolarHBondContact OD2-CB 3.28Å; D148-N419 PolarHBondContact OD2-ND2 2.8Å; D148-R728 VanDerWaalsContact CG-NH2 3.3Å; D148-R728 PolarHBondContact O-NH2 2.71Å; D148-R728 IonicContact OD1-NH2 2.83Å; D148-R728 PolarHBondContact OD1-NH2 2.88Å; D148-R728 IonicContact OD2-CZ 3.65Å; D148-R728 IonicContact OD2-NH1 3Å; D148-R728 PolarHBondContact OD2-NH1 2.91Å; D148-R728 IonicContact OD2-NH2 2.71Å; D148-R728 PolarHBondContact OD2-NH2 3.33Å
149	F	93.2	Very high	80.1	Confident	20 Å²	20	52.6 Å²	52.6	9%	0.088	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	16.7	175.9	-64.1	-93.6	0	0	0	112.7	L70 V71 I145 G147 N401 R728 L730	L70-F149 HydrophobicContact CB-CD2 4.28Å; L70-F149 CarbonylContact O-C 3.52Å; L70-F149 WeakPolarHBondContact O-CA 3.34Å; L70-F149 WeakPolarHBondContact O-CB 3.49Å; L70-F149 PolarHBondContact O-N 2.55Å; V71-F149 HydrophobicContact CG1-CB 4.16Å; I145-F149 HydrophobicContact CD1-CE2 4.48Å; G147-F149 VanDerWaalsContact C-N 3.3Å; G147-F149 PolarHBondContact O-N 3.26Å; F149-N401 HydrophobicContact CE2-CB 3.87Å; F149-N401 HydrophobicContact CZ-CB 4.09Å; F149-R728 HydrophobicContact CE1-CB 4.18Å; F149-L730 HydrophobicContact CB-CD1 3.9Å; F149-L730 HydrophobicContact CD1-CB 4.15Å; F149-L730 HydrophobicContact CD1-CD1 3.99Å; F149-L730 HydrophobicContact CD2-CD1 3.85Å; F149-L730 HydrophobicContact CE1-CD1 4.47Å; F149-L730 HydrophobicContact CE2-CD1 4.36Å; F149-L730 HydrophobicContact CG-CD1 3.64Å
150	S	94.7	Very high	82.1	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.028	21%	0.205	C	C	.	.			trans	-64.9	149.4	176.8	61.5	0	0	0	0	111.9	L70 V71 G147 D148 D152 K153 E154	L70-S150 PolarHBondContact O-N 3.24Å; V71-S150 WeakPolarHBondContact O-CA 3Å; G147-S150 WeakPolarHBondContact O-CB 3.3Å; G147-S150 PolarHBondContact O-N 3.22Å; G147-S150 VanDerWaalsContact O-N 3.09Å; G147-S150 PolarHBondContact O-OG 2.75Å; D148-S150 VanDerWaalsContact C-N 3.33Å; S150-D152 PolarHBondContact O-N 2.82Å; S150-D152 VanDerWaalsContact O-N 3.17Å; S150-K153 PolarHBondContact O-N 2.85Å; S150-K153 VanDerWaalsContact O-N 3.15Å; S150-E154 PolarHBondContact O-N 2.79Å
151	S	92.3	Very high	82.9	Confident	51 Å²	51	41.1 Å²	41.1	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-56.4	-35.4	-179.6	48.2	0	0	0	0	112.7	T155	S151-T155 VanDerWaalsContact O-CB 3.24Å; S151-T155 WeakPolarHBondContact O-CB 3.37Å; S151-T155 PolarHBondContact O-N 3.11Å; S151-T155 PolarHBondContact O-OG1 2.82Å
152	D	90.8	Very high	83.6	Confident	61 Å²	61	45.3 Å²	45.3	33%	0.326	22%	0.216	S	C	.	.	H	α-helix	trans	-68.3	-44.2	-178.9	-60.6	-13.6	0	0	0	110.7	S150 L156 Y333	S150-D152 PolarHBondContact O-N 2.82Å; S150-D152 VanDerWaalsContact O-N 3.17Å; D152-L156 WeakPolarHBondContact O-CB 3.36Å; D152-L156 PolarHBondContact O-N 2.63Å; D152-Y333 PolarHBondContact OD2-OH 3.01Å
153	K	91	Very high	84	Confident	18 Å²	18	46 Å²	46	8%	0.078	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-42	175.7	-74	-170	-177.9	-176.3	0	112.7	I121 S122 C124 G147 S150 L156 R157	I121-K153 HydrophobicContact CG2-CB 4.02Å; I121-K153 HydrophobicContact CG2-CG 4.22Å; S122-K153 PolarHBondContact O-NZ 2.75Å; C124-K153 WeakPolarHBondContact O-CE 3.25Å; C124-K153 PolarHBondContact O-NZ 2.82Å; G147-K153 WeakPolarHBondContact O-CD 3.31Å; S150-K153 PolarHBondContact O-N 2.85Å; S150-K153 VanDerWaalsContact O-N 3.15Å; K153-L156 PolarHBondContact O-N 3.14Å; K153-R157 WeakPolarHBondContact O-CB 3.4Å; K153-R157 PolarHBondContact O-N 3.22Å
154	E	89.3	Confident	84.8	Confident	20 Å²	20	47.5 Å²	47.5	9%	0.093	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-40.8	176.7	-69.7	-54.9	136.4	0	0	111.5	S150 L156 R157 E158 R728	S150-E154 PolarHBondContact O-N 2.79Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.11Å; E154-R157 PolarHBondContact O-N 2.79Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.97Å; E154-R157 PolarHBondContact OE1-NH1 3.41Å; E154-R157 IonicContact OE2-NH1 3.97Å; E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 WeakPolarHBondContact O-CG 3.43Å; E154-E158 PolarHBondContact O-N 3.38Å; E154-R728 IonicContact OE1-CZ 3.16Å; E154-R728 IonicContact OE1-NE 3.34Å; E154-R728 PolarHBondContact OE1-NE 3.45Å; E154-R728 IonicContact OE1-NH2 2.75Å; E154-R728 PolarHBondContact OE1-NH2 3.09Å
155	T	89	Confident	85.4	Confident	50 Å²	50	38.4 Å²	38.4	31%	0.307	20%	0.197	S	C	.	.	H	α-helix	trans	-62.5	-42.5	173.6	-58.1	0	0	0	0	111.2	S151 R157 K159	S151-T155 VanDerWaalsContact O-CB 3.24Å; S151-T155 WeakPolarHBondContact O-CB 3.37Å; S151-T155 PolarHBondContact O-N 3.11Å; S151-T155 PolarHBondContact O-OG1 2.82Å; T155-R157 VanDerWaalsContact C-N 3.33Å; T155-K159 HydrophobicContact CG2-CD 4.24Å; T155-K159 WeakPolarHBondContact O-CB 3.39Å; T155-K159 VanDerWaalsContact O-CG 3.3Å; T155-K159 WeakPolarHBondContact O-CG 3.46Å; T155-K159 PolarHBondContact O-N 3.49Å; T155-K159 VanDerWaalsContact O-N 3.1Å
156	L	88.3	Confident	85.6	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.6	-172.3	62.8	0	0	0	110.8	I121 D152 K153 E154 K159 L160 I273 Y327	I121-L156 HydrophobicContact CD1-CG 4.21Å; I121-L156 HydrophobicContact CG1-CD2 4.21Å; I121-L156 HydrophobicContact CG1-CG 4.32Å; I121-L156 HydrophobicContact CG2-CB 4.46Å; I121-L156 HydrophobicContact CG2-CD2 4.22Å; D152-L156 WeakPolarHBondContact O-CB 3.36Å; D152-L156 PolarHBondContact O-N 2.63Å; K153-L156 PolarHBondContact O-N 3.14Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.11Å; L156-K159 PolarHBondContact O-N 3.4Å; L156-L160 HydrophobicContact CD1-CD1 3.7Å; L156-L160 HydrophobicContact CD1-CD2 4.37Å; L156-L160 HydrophobicContact CD1-CG 3.83Å; L156-L160 HydrophobicContact CD2-CD1 4.31Å; L156-L160 HydrophobicContact CG-CD1 3.72Å; L156-L160 HydrophobicContact CG-CG 4.1Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.09Å; L156-L160 PolarHBondContact O-N 3.33Å; L156-I273 HydrophobicContact CD1-CG2 4.09Å; L156-I273 HydrophobicContact CD2-CG2 4.16Å; L156-Y327 HydrophobicContact CD1-CE1 3.98Å
157	R	87.2	Confident	85.7	Confident	13 Å²	13	37.9 Å²	37.9	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-43.9	178.6	-170.8	177.2	-77.7	100.4	-5	112.4	I121 S122 D148 K153 E154 T155 K159 S161 R728	I121-R157 HydrophobicContact CD1-CB 3.8Å; I121-R157 HydrophobicContact CD1-CG 4.21Å; S122-R157 PolarHBondContact OG-NH2 2.97Å; S122-R157 VanDerWaalsContact OG-NH2 3.11Å; D148-R157 IonicContact OD1-NH2 3.46Å; D148-R157 PolarHBondContact OD1-NH2 2.88Å; K153-R157 WeakPolarHBondContact O-CB 3.4Å; K153-R157 PolarHBondContact O-N 3.22Å; E154-R157 PolarHBondContact O-N 2.79Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.97Å; E154-R157 PolarHBondContact OE1-NH1 3.41Å; E154-R157 IonicContact OE2-NH1 3.97Å; T155-R157 VanDerWaalsContact C-N 3.33Å; R157-K159 VanDerWaalsContact C-N 3.31Å; R157-K159 PolarHBondContact O-N 3.28Å; R157-S161 PolarHBondContact O-N 3.27Å; R157-R728 VanDerWaalsContact NH2-NH2 3.17Å
158	E	83.6	Confident	85.8	Confident	94 Å²	94	37.9 Å²	37.9	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-41.1	173.8	-74.1	173.5	-170.2	0	0	111.6	E154 R727	E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 WeakPolarHBondContact O-CG 3.43Å; E154-E158 PolarHBondContact O-N 3.38Å; E158-R727 IonicContact OE1-CZ 3.66Å; E158-R727 IonicContact OE1-NE 2.74Å; E158-R727 PolarHBondContact OE1-NE 3.19Å; E158-R727 IonicContact OE1-NH2 2.61Å; E158-R727 PolarHBondContact OE1-NH2 2.03Å
159	K	84.6	Confident	86	Confident	94 Å²	94	38 Å²	38	41%	0.409	19%	0.194	S	C	.	.	H	α-helix	trans	-80.8	-35.4	-177.7	-70	-179.4	-175.7	177.2	0	114.4	T155 L156 R157 Y327	T155-K159 HydrophobicContact CG2-CD 4.24Å; T155-K159 WeakPolarHBondContact O-CB 3.39Å; T155-K159 VanDerWaalsContact O-CG 3.3Å; T155-K159 WeakPolarHBondContact O-CG 3.46Å; T155-K159 PolarHBondContact O-N 3.49Å; T155-K159 VanDerWaalsContact O-N 3.1Å; L156-K159 PolarHBondContact O-N 3.4Å; R157-K159 VanDerWaalsContact C-N 3.31Å; R157-K159 PolarHBondContact O-N 3.28Å; K159-Y327 HydrophobicContact CB-CE2 4.36Å; K159-Y327 HydrophobicContact CD-CE2 4.01Å; K159-Y327 WeakPolarHBondContact CD-OH 3.09Å; K159-Y327 PolarHBondContact NZ-OH 3.43Å; K159-Y327 VanDerWaalsContact NZ-OH 3.11Å
160	L	81.5	Confident	86.1	Confident	7 Å²	7	37 Å²	37	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-78.8	-34.3	178.9	-65	-172.5	0	0	0	110.8	I121 L156 Q162 K163 I167 T275 Y327	I121-L160 HydrophobicContact CD1-CB 4.18Å; I121-L160 HydrophobicContact CD1-CD1 3.9Å; I121-L160 HydrophobicContact CD1-CG 4.44Å; I121-L160 HydrophobicContact CG1-CD1 4.13Å; L156-L160 HydrophobicContact CD1-CD1 3.7Å; L156-L160 HydrophobicContact CD1-CD2 4.37Å; L156-L160 HydrophobicContact CD1-CG 3.83Å; L156-L160 HydrophobicContact CD2-CD1 4.31Å; L156-L160 HydrophobicContact CG-CD1 3.72Å; L156-L160 HydrophobicContact CG-CG 4.1Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.09Å; L156-L160 PolarHBondContact O-N 3.33Å; L160-Q162 PolarHBondContact O-N 3.11Å; L160-K163 VanDerWaalsContact O-CB 3.26Å; L160-K163 WeakPolarHBondContact O-CB 3.12Å; L160-K163 WeakPolarHBondContact O-CG 3.45Å; L160-K163 PolarHBondContact O-N 3.32Å; L160-I167 HydrophobicContact CD1-CD1 3.97Å; L160-I167 HydrophobicContact CD1-CG1 4.19Å; L160-T275 HydrophobicContact CD1-CG2 4.23Å; L160-T275 WeakPolarHBondContact CD1-OG1 3.19Å; L160-T275 HydrophobicContact CD2-CG2 4.03Å; L160-T275 WeakPolarHBondContact CD2-OG1 3.3Å; L160-Y327 HydrophobicContact CD2-CD1 3.64Å; L160-Y327 HydrophobicContact CD2-CE1 4.36Å; L160-Y327 HydrophobicContact CD2-CG 3.86Å
161	S	68.8	Low	86	Confident	52 Å²	52	37.2 Å²	37.2	36%	0.364	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-98.8	176.6	177.8	0	0	0	0	112.3	R157 Q725	R157-S161 PolarHBondContact O-N 3.27Å; S161-Q725 VanDerWaalsContact C-NE2 3.28Å; S161-Q725 VanDerWaalsContact CB-OE1 3.27Å; S161-Q725 PolarHBondContact O-NE2 3.24Å; S161-Q725 PolarHBondContact OG-OE1 3.13Å
162	Q	63.2	Low	85.9	Confident	139 Å²	139	35 Å²	35	65%	0.65	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	6.1	179.1	-63.6	-178.5	-10.6	0	0	113.7	L160 L164	L160-Q162 PolarHBondContact O-N 3.11Å; Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 WeakPolarHBondContact O-CG 3.42Å; Q162-L164 PolarHBondContact O-N 2.89Å
163	K	65.5	Low	85.9	Confident	98 Å²	98	33.3 Å²	33.3	43%	0.426	16%	0.163	S	C	.	.			trans	-67.5	90.5	173.2	-68.2	-174.2	176.5	-174.9	0	108.4	L160 T326	L160-K163 VanDerWaalsContact O-CB 3.26Å; L160-K163 WeakPolarHBondContact O-CB 3.12Å; L160-K163 WeakPolarHBondContact O-CG 3.45Å; L160-K163 PolarHBondContact O-N 3.32Å; K163-T326 PolarHBondContact NZ-O 3.48Å
164	L	75.3	Confident	85.9	Confident	56 Å²	56	33.2 Å²	33.2	29%	0.293	16%	0.163	S	C	.	.			trans	-76.8	133.2	174.1	-41.5	178.3	0	0	0	107.5	Q162 T278 L281 P409 Y414	Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 WeakPolarHBondContact O-CG 3.42Å; Q162-L164 PolarHBondContact O-N 2.89Å; L164-T278 HydrophobicContact CB-CG2 4.14Å; L164-T278 WeakPolarHBondContact O-CA 3.46Å; L164-T278 WeakPolarHBondContact O-CG2 3.1Å; L164-T278 PolarHBondContact O-N 2.8Å; L164-L281 HydrophobicContact CB-CD1 3.87Å; L164-P409 HydrophobicContact CB-CB 4.29Å; L164-P409 HydrophobicContact CD1-CB 4.25Å; L164-P409 HydrophobicContact CD2-CB 4.13Å; L164-P409 HydrophobicContact CG-CB 4.43Å; L164-Y414 HydrophobicContact CD2-CE1 4.31Å
165	G	89.6	Confident	86	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	17%	0.171	C	C	.	.	S	Bend	trans	170.1	161.1	-176.7	0	0	0	0	0	110.2	L276 D277	G165-L276 WeakPolarHBondContact CA-O 3.33Å; G165-D277 WeakPolarHBondContact CA-O 3.32Å
166	L	93.5	Very high	86.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.			trans	-67.4	137.6	172	-65.1	177.3	0	0	0	109.9	V117 Y118 E119 L276 S280 L281 R288 L291	V117-L166 HydrophobicContact CG1-CB 3.98Å; V117-L166 HydrophobicContact CG1-CD1 3.97Å; V117-L166 HydrophobicContact CG1-CD2 4.28Å; V117-L166 HydrophobicContact CG1-CG 4.31Å; Y118-L166 WeakPolarHBondContact O-CA 3.28Å; E119-L166 HydrophobicContact CG-CD2 4.18Å; L166-L276 HydrophobicContact CB-CD1 4.49Å; L166-L276 PolarHBondContact O-N 3.44Å; L166-S280 WeakPolarHBondContact CD1-O 3.43Å; L166-S280 PolarHBondContact N-OG 3.02Å; L166-L281 HydrophobicContact CD2-CD2 4Å; L166-L281 HydrophobicContact CG-CD2 4.37Å; L166-R288 HydrophobicContact CD1-CG 4.07Å; L166-L291 HydrophobicContact CD1-CD1 3.77Å
167	I	93.5	Very high	86.4	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.2	176.2	-57	167.4	0	0	0	107.4	V117 Y118 I121 L160 I273 D274 T275	V117-I167 CarbonylContact C-O 3.35Å; V117-I167 WeakPolarHBondContact CA-O 3.4Å; Y118-I167 PolarHBondContact N-O 3.48Å; Y118-I167 PolarHBondContact O-N 2.81Å; I121-I167 HydrophobicContact CB-CD1 4.42Å; I121-I167 HydrophobicContact CG1-CD1 3.53Å; L160-I167 HydrophobicContact CD1-CD1 3.97Å; L160-I167 HydrophobicContact CD1-CG1 4.19Å; I167-I273 HydrophobicContact CG2-CG2 3.83Å; I167-D274 CarbonylContact C-O 3.53Å; I167-D274 WeakPolarHBondContact CA-O 3.4Å; I167-T275 HydrophobicContact CG1-CG2 4.48Å
168	I	95.8	Very high	86.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.9	175.5	-50.6	-163.8	0	0	0	109.5	E116 V117 I273 D274 L276 L291 A295 Y321	E116-I168 VanDerWaalsContact O-CA 3.31Å; E116-I168 WeakPolarHBondContact O-CA 2.91Å; V117-I168 HydrophobicContact CG1-CG1 4.39Å; V117-I168 HydrophobicContact CG2-CD1 4.06Å; V117-I168 HydrophobicContact CG2-CG1 4.13Å; I168-I273 CarbonylContact O-C 3.53Å; I168-I273 WeakPolarHBondContact O-CA 3.48Å; I168-D274 PolarHBondContact N-O 2.81Å; I168-D274 PolarHBondContact O-N 3.41Å; I168-L276 HydrophobicContact CD1-CD1 4.05Å; I168-L276 HydrophobicContact CD1-CG 4.49Å; I168-L291 HydrophobicContact CD1-CB 3.82Å; I168-A295 HydrophobicContact CB-CB 4.46Å; I168-A295 HydrophobicContact CD1-CB 4.23Å; I168-A295 HydrophobicContact CG2-CB 3.52Å; I168-Y321 HydrophobicContact CD1-CD2 4.48Å; I168-Y321 HydrophobicContact CD1-CE2 3.56Å
169	Q	95.4	Very high	87.4	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.2	176	-178.8	177.6	-36.1	0	0	108.9	S115 E116 Y118 R125 L127 I273	S115-Q169 VanDerWaalsContact CA-O 3.28Å; S115-Q169 WeakPolarHBondContact CA-O 3.37Å; E116-Q169 PolarHBondContact N-O 3.44Å; E116-Q169 PolarHBondContact O-N 2.71Å; Y118-Q169 HydrophobicContact CD2-CB 4.49Å; Y118-Q169 HydrophobicContact CE2-CB 3.82Å; R125-Q169 PolarHBondContact O-NE2 2.99Å; R125-Q169 PolarHBondContact O-OE1 3.03Å; L127-Q169 HydrophobicContact CD2-CG 4.33Å; Q169-I273 HydrophobicContact CG-CG1 4.36Å
170	S	95.3	Very high	88	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.6	171.2	-56.5	0	0	0	0	109.7	S114 S115 A271 K272	S114-S170 CarbonylContact O-C 3.42Å; S114-S170 VanDerWaalsContact O-CA 3.28Å; S114-S170 WeakPolarHBondContact O-CA 3.38Å; S115-S170 WeakPolarHBondContact OG-CB 3.44Å; S115-S170 PolarHBondContact OG-OG 2.65Å; S170-A271 CarbonylContact O-C 3.25Å; S170-A271 WeakPolarHBondContact O-CA 3.29Å; S170-A271 WeakPolarHBondContact O-CB 3.48Å; S170-K272 PolarHBondContact N-O 2.96Å; S170-K272 PolarHBondContact O-N 3.26Å
171	E	93.4	Very high	88.7	Confident	9 Å²	9	31.1 Å²	31.1	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.3	175.1	81.5	-178.3	-137	0	0	113.3	L113 S114 R125 L127 R173 L270 A271	L113-E171 WeakPolarHBondContact CA-O 3.29Å; S114-E171 PolarHBondContact N-O 3.25Å; S114-E171 PolarHBondContact O-N 3.25Å; R125-E171 IonicContact CZ-OE2 3.95Å; R125-E171 IonicContact NE-OE2 3.53Å; R125-E171 PolarHBondContact NE-OE2 3.31Å; R125-E171 VanDerWaalsContact NH2-CG 3.3Å; R125-E171 IonicContact NH2-OE1 2.83Å; R125-E171 PolarHBondContact NH2-OE1 3.07Å; R125-E171 IonicContact NH2-OE2 2.89Å; R125-E171 PolarHBondContact NH2-OE2 3.49Å; L127-E171 HydrophobicContact CD2-CB 4.29Å; L127-E171 WeakPolarHBondContact CD2-OE2 3.45Å; E171-R173 IonicContact OE1-CZ 3.43Å; E171-R173 IonicContact OE1-NE 3.28Å; E171-R173 PolarHBondContact OE1-NE 3.08Å; E171-R173 VanDerWaalsContact OE1-NE 3.16Å; E171-R173 IonicContact OE1-NH2 2.73Å; E171-R173 PolarHBondContact OE1-NH2 3.25Å; E171-L270 CarbonylContact C-O 3.55Å; E171-L270 WeakPolarHBondContact CA-O 3.42Å; E171-A271 HydrophobicContact CB-CB 4.13Å
172	M	90.4	Very high	89.8	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.3	168.4	-179.5	-177.8	-71.3	0	0	107.7	I111 K112 L113 V269 L270 F299 V305 L345	I111-M172 HydrophobicContact CG2-CE 3.99Å; I111-M172 HydrophobicContact CG2-CG 3.34Å; I111-M172 HydrophobicContact CG2-SD 3.73Å; K112-M172 WeakPolarHBondContact O-CA 3.21Å; L113-M172 HydrophobicContact CD1-CB 4.23Å; L113-M172 HydrophobicContact CD1-CE 4.14Å; M172-V269 WeakPolarHBondContact O-CA 3.29Å; M172-L270 HydrophobicContact CB-CB 4.33Å; M172-L270 PolarHBondContact N-O 2.97Å; M172-L270 PolarHBondContact O-N 2.89Å; M172-L270 HydrophobicContact SD-CD2 4.46Å; M172-F299 HydrophobicContact CB-CE1 3.92Å; M172-F299 HydrophobicContact CB-CZ 4.24Å; M172-V305 HydrophobicContact CE-CG2 3.76Å; M172-L345 HydrophobicContact CE-CD2 3.94Å; M172-L345 HydrophobicContact SD-CD1 3.9Å; M172-L345 HydrophobicContact SD-CD2 3.67Å; M172-L345 HydrophobicContact SD-CG 4.39Å
173	R	90.5	Very high	91.2	Very high	27 Å²	27	30 Å²	30	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.7	-174.8	178.4	-177.8	-67.6	-95.2	-4.8	110.9	L127 E171 N175 V269 I359	L127-R173 PolarHBondContact O-NH2 2.88Å; E171-R173 IonicContact OE1-CZ 3.43Å; E171-R173 IonicContact OE1-NE 3.28Å; E171-R173 PolarHBondContact OE1-NE 3.08Å; E171-R173 VanDerWaalsContact OE1-NE 3.16Å; E171-R173 IonicContact OE1-NH2 2.73Å; E171-R173 PolarHBondContact OE1-NH2 3.25Å; R173-N175 WeakPolarHBondContact CD-OD1 3.38Å; R173-N175 WeakPolarHBondContact CG-OD1 3.41Å; R173-V269 HydrophobicContact CB-CG2 4.26Å; R173-V269 HydrophobicContact CG-CG2 4.01Å; R173-I359 HydrophobicContact CG-CD1 4.01Å; R173-I359 PolarHBondContact NH1-O 3.17Å
174	H	89.9	Confident	92.2	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.069	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	104.2	175	-162.3	131.3	0	0	0	110.2	S109 R176 G267 G268 W348 E349 L352	S109-H174 PolarHBondContact OG-CE1 2.88Å; H174-R176 VanDerWaalsContact CD2-CD 3.43Å; H174-R176 WeakPolarHBondContact CD2-CD 3.42Å; H174-R176 WeakPolarHBondContact NE2-CD 3.35Å; H174-G267 VanDerWaalsContact O-CA 3.32Å; H174-G267 WeakPolarHBondContact O-CA 3.46Å; H174-G268 PolarHBondContact N-O 3.04Å; H174-G268 PolarHBondContact O-N 3.3Å; H174-W348 HydrophobicContact CB-CH2 4.5Å; H174-E349 IonicContact ND1-OE1 3.03Å; H174-L352 HydrophobicContact CB-CD2 4.08Å
175	N	91.2	Very high	93	Very high	48 Å²	48	28.8 Å²	28.8	26%	0.257	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132	177.4	-63.3	-13.4	0	0	0	110.4	I106 R173 Y265 I359	I106-N175 HydrophobicContact CD1-CB 3.82Å; R173-N175 WeakPolarHBondContact CD-OD1 3.38Å; R173-N175 WeakPolarHBondContact CG-OD1 3.41Å; N175-Y265 HydrophobicContact CB-CD1 4.31Å; N175-I359 WeakPolarHBondContact OD1-CD1 3.42Å
176	R	91.8	Very high	93.1	Very high	55 Å²	55	34.8 Å²	34.8	21%	0.208	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-41.4	-177.7	-65.7	-63	-63.4	149.1	-4.3	113.5	I106 H174 A266 L352 D353 L356	I106-R176 WeakPolarHBondContact CB-O 3.18Å; I106-R176 PolarHBondContact N-O 3.45Å; H174-R176 VanDerWaalsContact CD2-CD 3.43Å; H174-R176 WeakPolarHBondContact CD2-CD 3.42Å; H174-R176 WeakPolarHBondContact NE2-CD 3.35Å; R176-A266 WeakPolarHBondContact CA-O 3.38Å; R176-A266 WeakPolarHBondContact CB-O 3.28Å; R176-A266 PolarHBondContact N-O 3.16Å; R176-L352 HydrophobicContact CG-CD2 3.63Å; R176-L352 HydrophobicContact CG-CG 4.07Å; R176-D353 IonicContact CZ-OD1 3.56Å; R176-D353 VanDerWaalsContact CZ-OD1 3.22Å; R176-D353 IonicContact NE-OD1 3.85Å; R176-D353 PolarHBondContact NE-OD1 3.39Å; R176-D353 IonicContact NH2-OD1 2.72Å; R176-D353 PolarHBondContact NH2-OD1 2.94Å; R176-D353 IonicContact NH2-OD2 3.56Å; R176-D353 PolarHBondContact NH2-OD2 2.79Å; R176-D353 VanDerWaalsContact NH2-OD2 3.09Å; R176-L356 HydrophobicContact CB-CD2 3.83Å; R176-L356 HydrophobicContact CG-CD2 4.03Å
177	Y	94.3	Very high	93.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.7	179.3	-64.7	-92	0	0	0	110.1	D92 K94 F95 V103 Q104 P105 Y265 A266 L356	D92-Y177 WeakPolarHBondContact OD2-CE1 3.33Å; D92-Y177 PolarHBondContact OD2-OH 2.81Å; K94-Y177 WeakPolarHBondContact CD-OH 3.39Å; K94-Y177 PolarHBondContact NZ-OH 3.39Å; F95-Y177 HydrophobicContact CD2-CE1 4.41Å; F95-Y177 HydrophobicContact CE2-CD1 4.47Å; F95-Y177 AromaticContact CE2-CE1 3.85Å; F95-Y177 HydrophobicContact CE2-CE1 3.85Å; F95-Y177 HydrophobicContact CE2-CE2 4.1Å; F95-Y177 AromaticContact CE2-CZ 3.68Å; V103-Y177 HydrophobicContact CG1-CD1 3.89Å; Q104-Y177 WeakPolarHBondContact O-CA 3.48Å; P105-Y177 HydrophobicContact CB-CD1 4.05Å; P105-Y177 HydrophobicContact CB-CE1 3.76Å; Y177-Y265 WeakPolarHBondContact O-CA 3.32Å; Y177-A266 PolarHBondContact N-O 3Å; Y177-A266 PolarHBondContact O-N 2.91Å; Y177-L356 HydrophobicContact CD2-CD1 3.53Å; Y177-L356 HydrophobicContact CD2-CD2 4.29Å; Y177-L356 HydrophobicContact CE2-CD1 3.69Å
178	F	95.9	Very high	93.2	Very high	32 Å²	32	36.4 Å²	36.4	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.7	165	-179.2	-116.7	0	0	0	108.3	Q104 I106 Q180 Y265	Q104-F178 HydrophobicContact CB-CB 4.41Å; Q104-F178 PolarHBondContact N-O 3.01Å; Q104-F178 PolarHBondContact O-N 2.97Å; I106-F178 HydrophobicContact CD1-CB 4.09Å; I106-F178 HydrophobicContact CG1-CB 4.35Å; F178-Q180 HydrophobicContact CE1-CB 4.15Å; F178-Q180 HydrophobicContact CE1-CG 4.29Å; F178-Q180 HydrophobicContact CZ-CB 4.28Å; F178-Y265 HydrophobicContact CB-CD1 4.32Å; F178-Y265 HydrophobicContact CB-CE1 4.09Å; F178-Y265 AromaticContact CD2-CD1 3.94Å; F178-Y265 HydrophobicContact CD2-CD1 3.94Å; F178-Y265 HydrophobicContact CD2-CD2 4.05Å; F178-Y265 AromaticContact CD2-CE1 3.63Å; F178-Y265 HydrophobicContact CD2-CE1 3.63Å; F178-Y265 AromaticContact CD2-CE2 3.75Å; F178-Y265 HydrophobicContact CD2-CE2 3.75Å; F178-Y265 HydrophobicContact CD2-CG 4.15Å; F178-Y265 AromaticContact CD2-CZ 3.53Å; F178-Y265 HydrophobicContact CE2-CD2 4.3Å; F178-Y265 HydrophobicContact CE2-CE1 4.43Å; F178-Y265 AromaticContact CE2-CE2 3.8Å; F178-Y265 HydrophobicContact CE2-CE2 3.8Å; F178-Y265 AromaticContact CE2-CZ 3.88Å; F178-Y265 HydrophobicContact CG-CE1 4.15Å
179	I	96.3	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.9	-173.8	-53.9	149.1	0	0	0	107.1	L59 V61 P63 I101 T102 V103 S263 V264 A266	L59-I179 HydrophobicContact CD1-CD1 4.17Å; L59-I179 HydrophobicContact CD2-CD1 3.62Å; L59-I179 HydrophobicContact CD2-CG1 3.9Å; L59-I179 HydrophobicContact CD2-CG2 4.05Å; L59-I179 HydrophobicContact CG-CD1 4.18Å; V61-I179 HydrophobicContact CB-CD1 4.38Å; V61-I179 HydrophobicContact CG1-CD1 4.46Å; V61-I179 WeakPolarHBondContact O-CD1 3.29Å; P63-I179 HydrophobicContact CG-CG2 4.11Å; I101-I179 HydrophobicContact CD1-CG2 3.92Å; T102-I179 WeakPolarHBondContact O-CA 3.5Å; V103-I179 HydrophobicContact CG1-CG1 4.2Å; V103-I179 HydrophobicContact CG2-CG1 4.28Å; V103-I179 HydrophobicContact CG2-CG2 4.15Å; I179-S263 CarbonylContact O-C 3.56Å; I179-S263 WeakPolarHBondContact O-CA 3.33Å; I179-S263 WeakPolarHBondContact O-CB 3.26Å; I179-V264 HydrophobicContact CB-CG2 3.68Å; I179-V264 HydrophobicContact CD1-CG2 3.92Å; I179-V264 HydrophobicContact CG1-CG2 4.37Å; I179-V264 HydrophobicContact CG2-CG2 4.32Å; I179-V264 PolarHBondContact N-O 2.91Å; I179-V264 PolarHBondContact O-N 2.8Å; I179-A266 HydrophobicContact CD1-CB 3.91Å
180	Q	96.6	Very high	92.9	Very high	78 Å²	78	49 Å²	49	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.7	-175.2	65.3	-177.7	-5.3	0	0	111.5	I101 T102 F178 N262	I101-Q180 CarbonylContact C-O 3.56Å; I101-Q180 WeakPolarHBondContact CA-O 3.49Å; T102-Q180 PolarHBondContact N-O 3.29Å; T102-Q180 PolarHBondContact O-N 2.87Å; T102-Q180 WeakPolarHBondContact OG1-CG 3.37Å; T102-Q180 PolarHBondContact OG1-NE2 3.26Å; T102-Q180 VanDerWaalsContact OG1-NE2 3.14Å; F178-Q180 HydrophobicContact CE1-CB 4.15Å; F178-Q180 HydrophobicContact CE1-CG 4.29Å; F178-Q180 HydrophobicContact CZ-CB 4.28Å; Q180-N262 CarbonylContact C-O 3.57Å; Q180-N262 WeakPolarHBondContact CA-O 3.24Å
181	L	95.9	Very high	92.9	Very high	23 Å²	23	49 Å²	49	12%	0.12	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	152.6	169.9	-68	179.8	0	0	0	111.5	P63 I79 V81 I101 N262	P63-L181 HydrophobicContact CB-CD2 4.3Å; P63-L181 HydrophobicContact CB-CG 4.07Å; P63-L181 HydrophobicContact CG-CD2 3.91Å; P63-L181 HydrophobicContact CG-CG 4.01Å; I79-L181 HydrophobicContact CB-CD1 4.41Å; I79-L181 HydrophobicContact CB-CD2 4.43Å; I79-L181 HydrophobicContact CG1-CD1 3.73Å; I79-L181 HydrophobicContact CG2-CD2 4.03Å; V81-L181 HydrophobicContact CG1-CD2 3.91Å; I101-L181 HydrophobicContact CG2-CD2 4.09Å; L181-N262 PolarHBondContact N-O 3.16Å
182	I	93.7	Very high	93	Very high	56 Å²	56	50.7 Å²	50.7	29%	0.287	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-79	145.9	168.8	-62.9	175.5	0	0	0	108.4	D99 E100 T102 S185	D99-I182 WeakPolarHBondContact O-CD1 3.15Å; E100-I182 PolarHBondContact O-N 2.78Å; T102-I182 HydrophobicContact CG2-CD1 4.2Å; T102-I182 HydrophobicContact CG2-CG1 3.88Å; I182-S185 PolarHBondContact O-N 3.49Å; I182-S185 PolarHBondContact O-OG 2.85Å
183	P	91	Very high	93.1	Very high	112 Å²	112	52.1 Å²	52.1	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	147.1	171.9	-26.1	35.6	0	0	0	112.3	S185	P183-S185 PolarHBondContact O-N 3.02Å
184	D	86.6	Confident	93.3	Very high	113 Å²	113	52.5 Å²	52.5	60%	0.604	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	27.4	-180	-59	-39.3	0	0	0	114.4	R373	D184-R373 IonicContact OD1-NH1 3.13Å; D184-R373 IonicContact OD2-CZ 2.77Å; D184-R373 IonicContact OD2-NH1 2.8Å; D184-R373 PolarHBondContact OD2-NH1 3.02Å
185	S	91.9	Very high	93.6	Very high	15 Å²	15	51.8 Å²	51.8	11%	0.105	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-58.4	144.9	175.1	-78.9	0	0	0	0	113.2	E100 I182 P183	E100-S185 PolarHBondContact O-OG 3.2Å; E100-S185 WeakPolarHBondContact OE2-CA 3.39Å; E100-S185 VanDerWaalsContact OE2-CB 3.31Å; E100-S185 WeakPolarHBondContact OE2-CB 3.3Å; E100-S185 PolarHBondContact OE2-OG 2.89Å; I182-S185 PolarHBondContact O-N 3.49Å; I182-S185 PolarHBondContact O-OG 2.85Å; P183-S185 PolarHBondContact O-N 3.02Å
186	K	92.3	Very high	93.7	Very high	131 Å²	131	49.8 Å²	49.8	57%	0.57	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-69.2	132.3	-174.7	-65.7	-176.5	178.2	-174.5	0	112.3	I79 D80	I79-K186 WeakPolarHBondContact CA-O 3.17Å; I79-K186 WeakPolarHBondContact CG2-O 3.31Å; D80-K186 PolarHBondContact N-O 3.12Å
187	L	94.7	Very high	93.8	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.094	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-63.2	140.4	172.6	-62.7	-175.2	0	0	0	110.6	I78 I79 F191 K192 L195 L375	I78-L187 HydrophobicContact CG2-CD2 4.41Å; I78-L187 CarbonylContact O-C 3.55Å; I78-L187 WeakPolarHBondContact O-CA 3.37Å; I79-L187 HydrophobicContact CD1-CD2 3.91Å; L187-F191 HydrophobicContact CD1-CD1 4.27Å; L187-F191 HydrophobicContact CD1-CE1 4.46Å; L187-F191 HydrophobicContact CD2-CD1 4.17Å; L187-F191 HydrophobicContact CD2-CE1 4.32Å; L187-K192 HydrophobicContact CB-CB 4.46Å; L187-L195 HydrophobicContact CD1-CD1 4.19Å; L187-L375 HydrophobicContact CD1-CD2 4Å; L187-L375 HydrophobicContact CD1-CG 4.35Å
188	H	95.2	Very high	93.9	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.102	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-62.2	134.3	173.5	-175.2	-87.6	0	0	0	109.8	P77 I78 R190 F191 K192	P77-H188 HydrophobicContact CB-CB 4.41Å; I78-H188 PolarHBondContact O-N 3.42Å; H188-R190 VanDerWaalsContact C-N 3.25Å; H188-R190 PolarHBondContact ND1-N 2.98Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.1Å; H188-F191 WeakPolarHBondContact O-CB 3.18Å; H188-F191 PolarHBondContact O-N 3.03Å; H188-K192 PolarHBondContact O-N 2.89Å
189	P	92.3	Very high	93.9	Very high	81 Å²	81	45.9 Å²	45.9	53%	0.526	23%	0.228	S	C	.	.	H	α-helix	trans	-55.4	-36.7	-172.9	-28.8	34.6	0	0	0	114.3	N193	P189-N193 WeakPolarHBondContact O-CB 3.13Å; P189-N193 PolarHBondContact O-N 2.81Å
190	R	92	Very high	93.8	Very high	186 Å²	186	45.9 Å²	45.9	70%	0.702	23%	0.228	S	C	*	.	H	α-helix	trans	-65.5	-37.8	176.6	-65.8	-178.3	-179.8	172.9	-1.4	112.5	H188 R194	H188-R190 VanDerWaalsContact C-N 3.25Å; H188-R190 PolarHBondContact ND1-N 2.98Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.1Å; R190-R194 VanDerWaalsContact O-CG 3.31Å; R190-R194 WeakPolarHBondContact O-CG 3.5Å; R190-R194 PolarHBondContact O-N 3.09Å
191	F	95.2	Very high	93.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-71.1	-47.5	177.9	-177.4	-113.4	0	0	0	110.3	I78 L187 H188 N193 R194 L195 V252 F256	I78-F191 HydrophobicContact CG1-CD2 4.37Å; I78-F191 HydrophobicContact CG1-CE2 4.46Å; I78-F191 HydrophobicContact CG1-CG 4.49Å; I78-F191 HydrophobicContact CG2-CD1 3.88Å; I78-F191 HydrophobicContact CG2-CE1 3.85Å; I78-F191 HydrophobicContact CG2-CG 4.43Å; I78-F191 HydrophobicContact CG2-CZ 4.39Å; L187-F191 HydrophobicContact CD1-CD1 4.27Å; L187-F191 HydrophobicContact CD1-CE1 4.46Å; L187-F191 HydrophobicContact CD2-CD1 4.17Å; L187-F191 HydrophobicContact CD2-CE1 4.32Å; H188-F191 WeakPolarHBondContact O-CB 3.18Å; H188-F191 PolarHBondContact O-N 3.03Å; F191-N193 VanDerWaalsContact C-N 3.29Å; F191-N193 PolarHBondContact O-N 3.12Å; F191-R194 PolarHBondContact O-N 2.97Å; F191-R194 VanDerWaalsContact O-N 3.07Å; F191-L195 HydrophobicContact CD1-CD1 4.07Å; F191-L195 HydrophobicContact CE1-CD1 3.64Å; F191-L195 HydrophobicContact CE1-CG 4.28Å; F191-L195 HydrophobicContact CZ-CD1 4.06Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.32Å; F191-L195 PolarHBondContact O-N 3.15Å; F191-V252 HydrophobicContact CE2-CG1 3.87Å; F191-F256 HydrophobicContact CB-CD1 4.39Å; F191-F256 HydrophobicContact CB-CE1 3.83Å; F191-F256 HydrophobicContact CB-CZ 4.1Å; F191-F256 HydrophobicContact CD2-CB 4.33Å; F191-F256 AromaticContact CD2-CD1 3.58Å; F191-F256 HydrophobicContact CD2-CD1 3.58Å; F191-F256 AromaticContact CD2-CD2 3.8Å; F191-F256 HydrophobicContact CD2-CD2 3.8Å; F191-F256 AromaticContact CD2-CE1 3.71Å; F191-F256 HydrophobicContact CD2-CE1 3.71Å; F191-F256 AromaticContact CD2-CE2 3.92Å; F191-F256 HydrophobicContact CD2-CE2 3.92Å; F191-F256 AromaticContact CD2-CG 3.62Å; F191-F256 HydrophobicContact CD2-CG 3.62Å; F191-F256 AromaticContact CD2-CZ 3.88Å; F191-F256 HydrophobicContact CD2-CZ 3.88Å; F191-F256 HydrophobicContact CE2-CB 4.19Å; F191-F256 HydrophobicContact CE2-CD1 4.28Å; F191-F256 HydrophobicContact CE2-CD2 4.16Å; F191-F256 AromaticContact CE2-CG 3.95Å; F191-F256 HydrophobicContact CE2-CG 3.95Å; F191-F256 HydrophobicContact CG-CD1 4.33Å; F191-F256 HydrophobicContact CG-CE1 4.21Å
192	K	94.9	Very high	93.6	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-50.1	-48.9	173.1	-175.7	177.5	-173.8	179	0	111.6	L187 H188 R194 L195 L196 L375 E377 E802	L187-K192 HydrophobicContact CB-CB 4.46Å; H188-K192 PolarHBondContact O-N 2.89Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.14Å; K192-L195 WeakPolarHBondContact O-CB 3.24Å; K192-L195 PolarHBondContact O-N 2.61Å; K192-L195 VanDerWaalsContact O-N 3.12Å; K192-L196 HydrophobicContact CG-CD1 4.19Å; K192-L196 WeakPolarHBondContact O-CG 3.3Å; K192-L196 PolarHBondContact O-N 3.36Å; K192-L375 HydrophobicContact CD-CD2 4.4Å; K192-L375 HydrophobicContact CG-CD2 3.76Å; K192-E377 WeakPolarHBondContact CE-OE1 2.99Å; K192-E377 WeakPolarHBondContact CE-OE2 3.36Å; K192-E377 VanDerWaalsContact NZ-CD 3.27Å; K192-E377 IonicContact NZ-OE1 3.48Å; K192-E377 PolarHBondContact NZ-OE1 2.97Å; K192-E377 IonicContact NZ-OE2 3.26Å; K192-E377 PolarHBondContact NZ-OE2 3.3Å; K192-E802 IonicContact NZ-OE1 2.96Å; K192-E802 PolarHBondContact NZ-OE1 2.94Å
193	N	92.6	Very high	93.6	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-39.4	-179.9	-162	65.9	0	0	0	113.2	P189 F191 L196 D197 G798 R799 W800	P189-N193 WeakPolarHBondContact O-CB 3.13Å; P189-N193 PolarHBondContact O-N 2.81Å; F191-N193 VanDerWaalsContact C-N 3.29Å; F191-N193 PolarHBondContact O-N 3.12Å; N193-L196 PolarHBondContact O-N 2.9Å; N193-D197 VanDerWaalsContact O-CG 3.3Å; N193-D197 PolarHBondContact O-N 2.95Å; N193-D197 VanDerWaalsContact O-N 3.07Å; N193-G798 PolarHBondContact ND2-O 3.23Å; N193-G798 PolarHBondContact OD1-O 3.37Å; N193-R799 WeakPolarHBondContact OD1-CA 3.3Å; N193-W800 PolarHBondContact OD1-N 2.99Å
194	R	94.2	Very high	93.5	Very high	35 Å²	35	38.7 Å²	38.7	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-69.9	-33.5	178.4	-63.9	-65.5	-66.9	168.7	-3.6	112.4	R190 F191 K192 D197 I198 V252 F256	R190-R194 VanDerWaalsContact O-CG 3.31Å; R190-R194 WeakPolarHBondContact O-CG 3.5Å; R190-R194 PolarHBondContact O-N 3.09Å; F191-R194 PolarHBondContact O-N 2.97Å; F191-R194 VanDerWaalsContact O-N 3.07Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 3.14Å; R194-D197 IonicContact NH1-OD2 3.86Å; R194-I198 WeakPolarHBondContact O-CG1 3.26Å; R194-I198 PolarHBondContact O-N 3.01Å; R194-V252 HydrophobicContact CB-CG2 4.02Å; R194-F256 HydrophobicContact CG-CE2 4.2Å
195	L	96.2	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-42.1	175.1	-65.6	-177.3	0	0	0	111.7	L187 F191 K192 D197 I198 A199 I370 L375 L386 I390	L187-L195 HydrophobicContact CD1-CD1 4.19Å; F191-L195 HydrophobicContact CD1-CD1 4.07Å; F191-L195 HydrophobicContact CE1-CD1 3.64Å; F191-L195 HydrophobicContact CE1-CG 4.28Å; F191-L195 HydrophobicContact CZ-CD1 4.06Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.32Å; F191-L195 PolarHBondContact O-N 3.15Å; K192-L195 WeakPolarHBondContact O-CB 3.24Å; K192-L195 PolarHBondContact O-N 2.61Å; K192-L195 VanDerWaalsContact O-N 3.12Å; L195-D197 VanDerWaalsContact C-N 3.34Å; L195-D197 PolarHBondContact O-N 2.67Å; L195-I198 PolarHBondContact O-N 2.85Å; L195-A199 PolarHBondContact O-N 2.85Å; L195-I370 HydrophobicContact CD1-CD1 4.18Å; L195-I370 HydrophobicContact CD1-CG1 4.01Å; L195-I370 HydrophobicContact CD2-CD1 3.79Å; L195-L375 HydrophobicContact CB-CD1 4.29Å; L195-L375 HydrophobicContact CD1-CD1 4.02Å; L195-L386 HydrophobicContact CB-CD2 4.16Å; L195-I390 HydrophobicContact CD2-CD1 4.26Å; L195-I390 HydrophobicContact CD2-CG1 4.34Å
196	L	94.9	Very high	93.7	Very high	6 Å²	6	38 Å²	38	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-35.6	176.9	-68	176.4	0	0	0	112.6	K192 N193 I198 A199 A200 E377 L378 L785 W800	K192-L196 HydrophobicContact CG-CD1 4.19Å; K192-L196 WeakPolarHBondContact O-CG 3.3Å; K192-L196 PolarHBondContact O-N 3.36Å; N193-L196 PolarHBondContact O-N 2.9Å; L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.92Å; L196-A199 PolarHBondContact O-N 3.04Å; L196-A200 PolarHBondContact O-N 3.42Å; L196-E377 HydrophobicContact CD2-CG 4.01Å; L196-E377 WeakPolarHBondContact CD2-OE1 3.23Å; L196-L378 HydrophobicContact CD2-CD1 4.13Å; L196-L378 HydrophobicContact CD2-CD2 3.79Å; L196-L378 HydrophobicContact CD2-CG 3.99Å; L196-L785 HydrophobicContact CB-CD2 4.4Å; L196-L785 HydrophobicContact CD2-CD2 3.85Å; L196-W800 HydrophobicContact CB-CD2 4.1Å; L196-W800 HydrophobicContact CB-CG 3.79Å; L196-W800 HydrophobicContact CD1-CB 3.56Å; L196-W800 HydrophobicContact CD1-CG 3.7Å; L196-W800 HydrophobicContact CG-CG 4.4Å
197	D	93.2	Very high	93.6	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-56.6	-46.7	171.3	-72.4	-10.1	0	0	0	111.3	N193 R194 L195 A200 Y201 L248 K795 W800	N193-D197 VanDerWaalsContact O-CG 3.3Å; N193-D197 PolarHBondContact O-N 2.95Å; N193-D197 VanDerWaalsContact O-N 3.07Å; R194-D197 IonicContact NH1-OD2 3.86Å; L195-D197 VanDerWaalsContact C-N 3.34Å; L195-D197 PolarHBondContact O-N 2.67Å; D197-A200 PolarHBondContact O-N 3.17Å; D197-Y201 VanDerWaalsContact O-CD2 3.25Å; D197-Y201 WeakPolarHBondContact O-CD2 3.43Å; D197-Y201 PolarHBondContact O-N 2.91Å; D197-L248 HydrophobicContact CB-CD1 4.25Å; D197-K795 WeakPolarHBondContact OD1-CE 3.34Å; D197-K795 IonicContact OD1-NZ 3.2Å; D197-K795 PolarHBondContact OD1-NZ 2.93Å; D197-K795 IonicContact OD2-NZ 3.17Å; D197-K795 PolarHBondContact OD2-NZ 3.04Å; D197-K795 VanDerWaalsContact OD2-NZ 3.09Å; D197-W800 PolarHBondContact OD1-NE1 3Å
198	I	95.6	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-44.7	178.4	-63.4	166.1	0	0	0	110.5	R194 L195 L196 A200 Y201 L202 A245 L248 A249 V252 L386 T389 I390	R194-I198 WeakPolarHBondContact O-CG1 3.26Å; R194-I198 PolarHBondContact O-N 3.01Å; L195-I198 PolarHBondContact O-N 2.85Å; L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.92Å; I198-A200 VanDerWaalsContact C-N 3.28Å; I198-A200 PolarHBondContact O-N 3.42Å; I198-Y201 PolarHBondContact O-N 3.28Å; I198-L202 HydrophobicContact CG2-CD1 4.09Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 WeakPolarHBondContact O-CG 3.38Å; I198-L202 PolarHBondContact O-N 3.1Å; I198-A245 HydrophobicContact CG2-CB 4.17Å; I198-L248 HydrophobicContact CD1-CB 4.26Å; I198-L248 HydrophobicContact CG1-CB 3.64Å; I198-L248 HydrophobicContact CG1-CD1 4.44Å; I198-A249 HydrophobicContact CD1-CB 4.18Å; I198-V252 HydrophobicContact CD1-CG2 3.83Å; I198-L386 HydrophobicContact CB-CD1 3.83Å; I198-L386 HydrophobicContact CG2-CD1 3.58Å; I198-T389 HydrophobicContact CG2-CG2 4.02Å; I198-I390 HydrophobicContact CD1-CD1 3.59Å
199	A	95.9	Very high	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-40.8	177.8	0	0	0	0	0	112.1	L195 L196 Y201 L202 E203 L378 M382 L785	L195-A199 PolarHBondContact O-N 2.85Å; L196-A199 PolarHBondContact O-N 3.04Å; A199-Y201 PolarHBondContact O-N 2.96Å; A199-L202 PolarHBondContact O-N 3.46Å; A199-E203 PolarHBondContact O-N 3.26Å; A199-L378 HydrophobicContact CB-CD1 4.12Å; A199-L378 HydrophobicContact CB-CD2 4.13Å; A199-M382 HydrophobicContact CB-CG 4.01Å; A199-M382 HydrophobicContact CB-SD 4.18Å; A199-L785 HydrophobicContact CB-CD1 4.2Å; A199-L785 HydrophobicContact CB-CD2 4.31Å
200	A	94.1	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-41	177.3	0	0	0	0	0	112.5	L196 D197 I198 E203 H204 L785 W800	L196-A200 PolarHBondContact O-N 3.42Å; D197-A200 PolarHBondContact O-N 3.17Å; I198-A200 VanDerWaalsContact C-N 3.28Å; I198-A200 PolarHBondContact O-N 3.42Å; A200-E203 PolarHBondContact O-N 3.16Å; A200-H204 WeakPolarHBondContact O-CB 3.34Å; A200-H204 PolarHBondContact O-N 3.29Å; A200-H204 PolarHBondContact O-ND1 2.84Å; A200-L785 HydrophobicContact CB-CB 4.36Å; A200-L785 HydrophobicContact CB-CD1 4.45Å; A200-W800 HydrophobicContact CB-CH2 3.67Å; A200-W800 HydrophobicContact CB-CZ2 3.74Å
201	Y	93.4	Very high	93.2	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-40.9	174	-82.3	-76.6	0	0	0	112.3	D197 I198 A199 E203 G205 Q241 N244 L248 I778	D197-Y201 VanDerWaalsContact O-CD2 3.25Å; D197-Y201 WeakPolarHBondContact O-CD2 3.43Å; D197-Y201 PolarHBondContact O-N 2.91Å; I198-Y201 PolarHBondContact O-N 3.28Å; A199-Y201 PolarHBondContact O-N 2.96Å; Y201-E203 VanDerWaalsContact C-N 3.35Å; Y201-E203 PolarHBondContact O-N 3.21Å; Y201-G205 PolarHBondContact O-N 2.81Å; Y201-Q241 HydrophobicContact CD1-CB 4.47Å; Y201-N244 HydrophobicContact CD1-CB 3.41Å; Y201-N244 VanDerWaalsContact CD1-CB 3.41Å; Y201-N244 HydrophobicContact CD2-CB 4.47Å; Y201-N244 HydrophobicContact CE1-CB 3.49Å; Y201-N244 VanDerWaalsContact CE1-CB 3.49Å; Y201-N244 HydrophobicContact CG-CB 3.97Å; Y201-L248 HydrophobicContact CD2-CD1 3.47Å; Y201-L248 VanDerWaalsContact CD2-CD1 3.47Å; Y201-L248 HydrophobicContact CE2-CD1 3.5Å; Y201-I778 WeakPolarHBondContact OH-CG2 3.37Å
202	L	94.8	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-41.5	177.1	-66.3	174.1	0	0	0	111.7	I198 A199 N206 V207 A245 M382 R385	I198-L202 HydrophobicContact CG2-CD1 4.09Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 WeakPolarHBondContact O-CG 3.38Å; I198-L202 PolarHBondContact O-N 3.1Å; A199-L202 PolarHBondContact O-N 3.46Å; L202-N206 PolarHBondContact O-N 3.15Å; L202-V207 HydrophobicContact CB-CB 4.46Å; L202-V207 HydrophobicContact CD2-CB 3.74Å; L202-V207 HydrophobicContact CD2-CG1 3.69Å; L202-V207 HydrophobicContact CD2-CG2 4.13Å; L202-V207 PolarHBondContact O-N 3.17Å; L202-A245 HydrophobicContact CD2-CB 3.68Å; L202-A245 HydrophobicContact CG-CB 4Å; L202-M382 HydrophobicContact CB-SD 4.01Å; L202-M382 HydrophobicContact CD1-SD 4.41Å; L202-R385 HydrophobicContact CD1-CB 4.17Å
203	E	93.8	Very high	92.6	Very high	53 Å²	53	32.7 Å²	32.7	25%	0.248	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-53.4	177.1	-172.6	167.8	-110.5	0	0	111.8	A199 A200 Y201 G205 N206 M382 L785 H786	A199-E203 PolarHBondContact O-N 3.26Å; A200-E203 PolarHBondContact O-N 3.16Å; Y201-E203 VanDerWaalsContact C-N 3.35Å; Y201-E203 PolarHBondContact O-N 3.21Å; E203-G205 VanDerWaalsContact C-N 3.28Å; E203-G205 PolarHBondContact O-N 2.87Å; E203-N206 PolarHBondContact O-N 2.69Å; E203-M382 HydrophobicContact CB-CE 3.66Å; E203-M382 HydrophobicContact CG-CE 4.26Å; E203-L785 HydrophobicContact CB-CD1 4.32Å; E203-L785 WeakPolarHBondContact OE2-CA 3.48Å; E203-H786 VanDerWaalsContact CD-ND1 3.31Å; E203-H786 WeakPolarHBondContact OE1-CB 3.1Å; E203-H786 IonicContact OE1-CG 2.72Å; E203-H786 IonicContact OE1-ND1 2.8Å; E203-H786 PolarHBondContact OE1-ND1 2.89Å; E203-H786 IonicContact OE2-CE1 3.66Å; E203-H786 IonicContact OE2-CG 3.29Å; E203-H786 PolarHBondContact OE2-N 2.99Å; E203-H786 IonicContact OE2-ND1 3.46Å; E203-H786 PolarHBondContact OE2-ND1 2.89Å
204	H	90.3	Very high	92.2	Very high	59 Å²	59	33 Å²	33	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-64.5	-31.8	-177.6	-71.6	120.3	0	0	0	113.8	A200 N206 K237 S782 E784	A200-H204 WeakPolarHBondContact O-CB 3.34Å; A200-H204 PolarHBondContact O-N 3.29Å; A200-H204 PolarHBondContact O-ND1 2.84Å; H204-N206 VanDerWaalsContact C-N 3.27Å; H204-K237 VanDerWaalsContact O-CE 3.27Å; H204-K237 WeakPolarHBondContact O-CE 3.41Å; H204-S782 VanDerWaalsContact CE1-CA 3.48Å; H204-S782 WeakPolarHBondContact CE1-CA 3.35Å; H204-S782 WeakPolarHBondContact CE1-CB 3.2Å; H204-S782 WeakPolarHBondContact ND1-CB 3.15Å; H204-E784 PolarHBondContact CE1-O 2.89Å
205	G	89.6	Confident	91.7	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	174.6	0	0	0	0	0	114.3	Y201 E203 V207 S238 Q241	Y201-G205 PolarHBondContact O-N 2.81Å; E203-G205 VanDerWaalsContact C-N 3.28Å; E203-G205 PolarHBondContact O-N 2.87Å; G205-V207 PolarHBondContact O-N 3.35Å; G205-S238 VanDerWaalsContact O-CA 3.27Å; G205-S238 WeakPolarHBondContact O-CA 3.05Å; G205-S238 WeakPolarHBondContact O-CB 2.99Å; G205-S238 PolarHBondContact O-OG 3.12Å; G205-Q241 VanDerWaalsContact CA-CB 3.45Å
206	N	92	Very high	91.1	Very high	112 Å²	112	34.3 Å²	34.3	60%	0.599	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	40.9	-167.8	-166.8	27.3	0	0	0	112.2	L202 E203 H204 T208	L202-N206 PolarHBondContact O-N 3.15Å; E203-N206 PolarHBondContact O-N 2.69Å; H204-N206 VanDerWaalsContact C-N 3.27Å; N206-T208 PolarHBondContact O-N 3.47Å
207	V	91	Very high	90.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.			trans	-70.2	121.8	-175.3	-179.3	0	0	0	0	108.1	L202 G205 T211 I212 R385	L202-V207 HydrophobicContact CB-CB 4.46Å; L202-V207 HydrophobicContact CD2-CB 3.74Å; L202-V207 HydrophobicContact CD2-CG1 3.69Å; L202-V207 HydrophobicContact CD2-CG2 4.13Å; L202-V207 PolarHBondContact O-N 3.17Å; G205-V207 PolarHBondContact O-N 3.35Å; V207-T211 HydrophobicContact CG1-CG2 3.97Å; V207-I212 HydrophobicContact CG1-CG1 4Å; V207-R385 VanDerWaalsContact O-CD 3.31Å; V207-R385 WeakPolarHBondContact O-CD 3.31Å; V207-R385 PolarHBondContact O-NH1 3.42Å
208	T	93	Very high	89.2	Confident	47 Å²	47	38.7 Å²	38.7	29%	0.288	20%	0.198	S	C	.	.			trans	-99.1	171.8	-179.8	71.8	0	0	0	0	110.9	N206 E210 T211 I212	N206-T208 PolarHBondContact O-N 3.47Å; T208-E210 VanDerWaalsContact C-N 3.25Å; T208-E210 PolarHBondContact O-N 3.11Å; T208-E210 PolarHBondContact OG1-N 3.46Å; T208-T211 PolarHBondContact N-OG1 3.43Å; T208-T211 WeakPolarHBondContact O-CB 3.42Å; T208-T211 PolarHBondContact O-N 2.84Å; T208-T211 PolarHBondContact OG1-N 3Å; T208-T211 PolarHBondContact OG1-OG1 3Å; T208-T211 VanDerWaalsContact OG1-OG1 3.14Å; T208-I212 WeakPolarHBondContact O-CG1 3.07Å; T208-I212 PolarHBondContact O-N 3.17Å; T208-I212 VanDerWaalsContact O-N 3.15Å
209	M	93.2	Very high	88.3	Confident	71 Å²	71	40.7 Å²	40.7	35%	0.35	21%	0.209	S	C	.	.	H	α-helix	trans	-59.2	-39.1	171.5	-75.1	-60.6	-60.5	0	0	111.9	T211 I212 E213 V384 R385 A388	M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 3.02Å; M209-I212 WeakPolarHBondContact O-CB 3.44Å; M209-I212 PolarHBondContact O-N 3.11Å; M209-I212 VanDerWaalsContact O-N 3.13Å; M209-I212 HydrophobicContact SD-CD1 4.21Å; M209-E213 PolarHBondContact O-N 2.8Å; M209-V384 HydrophobicContact CG-CG1 4.48Å; M209-V384 HydrophobicContact SD-CG1 3.97Å; M209-R385 HydrophobicContact SD-CG 4.36Å; M209-A388 HydrophobicContact CE-CB 3.68Å; M209-A388 HydrophobicContact SD-CB 3.72Å
210	E	90.1	Very high	87.2	Confident	120 Å²	120	41.6 Å²	41.6	56%	0.561	21%	0.214	S	C	*	.	H	α-helix	trans	-60.8	-41.8	175.1	-175.9	-179.3	-172	0	0	111.3	T208 I212 E213 L214	T208-E210 VanDerWaalsContact C-N 3.25Å; T208-E210 PolarHBondContact O-N 3.11Å; T208-E210 PolarHBondContact OG1-N 3.46Å; E210-I212 VanDerWaalsContact C-N 3.3Å; E210-I212 PolarHBondContact O-N 3.34Å; E210-E213 PolarHBondContact O-N 2.72Å; E210-L214 HydrophobicContact CG-CD1 4.14Å; E210-L214 HydrophobicContact CG-CG 4.46Å; E210-L214 WeakPolarHBondContact O-CB 3.45Å; E210-L214 VanDerWaalsContact O-CG 3.31Å; E210-L214 WeakPolarHBondContact O-CG 3.18Å; E210-L214 PolarHBondContact O-N 3.44Å
211	T	88.5	Confident	85.9	Confident	17 Å²	17	41.8 Å²	41.8	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-41.1	174	-46.1	0	0	0	0	111.9	V207 T208 M209 F215 I220	V207-T211 HydrophobicContact CG1-CG2 3.97Å; T208-T211 PolarHBondContact N-OG1 3.43Å; T208-T211 WeakPolarHBondContact O-CB 3.42Å; T208-T211 PolarHBondContact O-N 2.84Å; T208-T211 PolarHBondContact OG1-N 3Å; T208-T211 PolarHBondContact OG1-OG1 3Å; T208-T211 VanDerWaalsContact OG1-OG1 3.14Å; M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 3.02Å; T211-F215 VanDerWaalsContact O-CB 3.26Å; T211-F215 WeakPolarHBondContact O-CB 3.33Å; T211-F215 PolarHBondContact O-N 3.32Å; T211-I220 HydrophobicContact CG2-CD1 3.98Å; T211-I220 HydrophobicContact CG2-CG1 4.45Å
212	I	90.6	Very high	84.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-37.7	178.2	-61.8	167.4	0	0	0	111.1	V207 T208 M209 E210 F215 N216 F246 R385 A388 T389	V207-I212 HydrophobicContact CG1-CG1 4Å; T208-I212 WeakPolarHBondContact O-CG1 3.07Å; T208-I212 PolarHBondContact O-N 3.17Å; T208-I212 VanDerWaalsContact O-N 3.15Å; M209-I212 WeakPolarHBondContact O-CB 3.44Å; M209-I212 PolarHBondContact O-N 3.11Å; M209-I212 VanDerWaalsContact O-N 3.13Å; M209-I212 HydrophobicContact SD-CD1 4.21Å; E210-I212 VanDerWaalsContact C-N 3.3Å; E210-I212 PolarHBondContact O-N 3.34Å; I212-F215 WeakPolarHBondContact O-CB 3.25Å; I212-N216 WeakPolarHBondContact O-CB 3.37Å; I212-N216 PolarHBondContact O-N 2.74Å; I212-N216 PolarHBondContact O-ND2 3.13Å; I212-F246 HydrophobicContact CB-CZ 4.49Å; I212-F246 HydrophobicContact CG1-CE1 4.06Å; I212-F246 HydrophobicContact CG1-CZ 4.05Å; I212-F246 HydrophobicContact CG2-CE1 4.3Å; I212-R385 HydrophobicContact CD1-CB 4.28Å; I212-A388 HydrophobicContact CD1-CB 4.07Å; I212-A388 HydrophobicContact CG2-CB 4.27Å; I212-T389 WeakPolarHBondContact CD1-OG1 3.23Å
213	E	87.6	Confident	83.6	Confident	113 Å²	113	47.4 Å²	47.4	53%	0.528	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-46	175.7	-73	-178.6	-179.9	0	0	112.3	M209 E210 F215 N216 N217	M209-E213 PolarHBondContact O-N 2.8Å; E210-E213 PolarHBondContact O-N 2.72Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; E213-N216 PolarHBondContact O-N 3.01Å; E213-N216 VanDerWaalsContact O-N 3.14Å; E213-N217 PolarHBondContact O-N 3.45Å; E213-N217 PolarHBondContact O-ND2 2.69Å
214	L	83.9	Confident	82.5	Confident	39 Å²	39	44.9 Å²	44.9	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-43.5	173.5	-72.3	171.9	0	0	0	110.5	E210 N217 G218 L219 I220 T223	E210-L214 HydrophobicContact CG-CD1 4.14Å; E210-L214 HydrophobicContact CG-CG 4.46Å; E210-L214 WeakPolarHBondContact O-CB 3.45Å; E210-L214 VanDerWaalsContact O-CG 3.31Å; E210-L214 WeakPolarHBondContact O-CG 3.18Å; E210-L214 PolarHBondContact O-N 3.44Å; L214-N217 PolarHBondContact O-N 3.25Å; L214-G218 PolarHBondContact O-N 3.31Å; L214-L219 HydrophobicContact CB-CB 4.38Å; L214-L219 HydrophobicContact CD2-CB 3.84Å; L214-L219 HydrophobicContact CD2-CD1 4.25Å; L214-L219 WeakPolarHBondContact O-CA 3.24Å; L214-L219 PolarHBondContact O-N 3.11Å; L214-I220 PolarHBondContact O-N 3.23Å; L214-T223 HydrophobicContact CD1-CG2 3.43Å; L214-T223 VanDerWaalsContact CD1-CG2 3.43Å
215	F	84.8	Confident	81.5	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-61.1	169.2	178.1	-97.3	0	0	0	110.5	T211 I212 E213 N217 G218 I220 M243 F246 R396 I710 V736	T211-F215 VanDerWaalsContact O-CB 3.26Å; T211-F215 WeakPolarHBondContact O-CB 3.33Å; T211-F215 PolarHBondContact O-N 3.32Å; I212-F215 WeakPolarHBondContact O-CB 3.25Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; F215-N217 PolarHBondContact O-N 2.82Å; F215-G218 PolarHBondContact O-N 3.09Å; F215-I220 HydrophobicContact CB-CB 4.34Å; F215-I220 HydrophobicContact CB-CD1 4.07Å; F215-I220 HydrophobicContact CD2-CD1 4.17Å; F215-I220 HydrophobicContact CD2-CG2 4.23Å; F215-M243 HydrophobicContact CD2-SD 4.14Å; F215-M243 HydrophobicContact CE2-SD 3.76Å; F215-F246 HydrophobicContact CB-CE2 3.72Å; F215-F246 HydrophobicContact CB-CZ 3.76Å; F215-F246 AromaticContact CD1-CD1 3.94Å; F215-F246 HydrophobicContact CD1-CD1 3.94Å; F215-F246 AromaticContact CD1-CD2 3.92Å; F215-F246 HydrophobicContact CD1-CD2 3.92Å; F215-F246 AromaticContact CD1-CE1 3.84Å; F215-F246 HydrophobicContact CD1-CE1 3.84Å; F215-F246 AromaticContact CD1-CE2 3.82Å; F215-F246 HydrophobicContact CD1-CE2 3.82Å; F215-F246 HydrophobicContact CD1-CG 4.01Å; F215-F246 AromaticContact CD1-CZ 3.8Å; F215-F246 HydrophobicContact CD1-CZ 3.8Å; F215-F246 AromaticContact CD2-CD2 3.45Å; F215-F246 HydrophobicContact CD2-CD2 3.45Å; F215-F246 VanDerWaalsContact CD2-CD2 3.45Å; F215-F246 AromaticContact CD2-CE2 3.45Å; F215-F246 HydrophobicContact CD2-CE2 3.45Å; F215-F246 VanDerWaalsContact CD2-CE2 3.45Å; F215-F246 HydrophobicContact CD2-CG 4.24Å; F215-F246 HydrophobicContact CD2-CZ 4.23Å; F215-F246 HydrophobicContact CE1-CB 4.18Å; F215-F246 AromaticContact CE1-CD1 3.85Å; F215-F246 HydrophobicContact CE1-CD1 3.85Å; F215-F246 AromaticContact CE1-CD2 3.91Å; F215-F246 HydrophobicContact CE1-CD2 3.91Å; F215-F246 HydrophobicContact CE1-CE1 4.24Å; F215-F246 HydrophobicContact CE1-CE2 4.3Å; F215-F246 AromaticContact CE1-CG 3.71Å; F215-F246 HydrophobicContact CE1-CG 3.71Å; F215-F246 HydrophobicContact CE1-CZ 4.46Å; F215-F246 HydrophobicContact CE2-CB 4.28Å; F215-F246 AromaticContact CE2-CD2 3.44Å; F215-F246 HydrophobicContact CE2-CD2 3.44Å; F215-F246 VanDerWaalsContact CE2-CD2 3.44Å; F215-F246 AromaticContact CE2-CE2 3.97Å; F215-F246 HydrophobicContact CE2-CE2 3.97Å; F215-F246 AromaticContact CE2-CG 3.95Å; F215-F246 HydrophobicContact CE2-CG 3.95Å; F215-F246 HydrophobicContact CG-CD1 4.46Å; F215-F246 AromaticContact CG-CD2 3.68Å; F215-F246 HydrophobicContact CG-CD2 3.68Å; F215-F246 HydrophobicContact CG-CE1 4.19Å; F215-F246 AromaticContact CG-CE2 3.36Å; F215-F246 HydrophobicContact CG-CE2 3.36Å; F215-F246 HydrophobicContact CG-CG 4.26Å; F215-F246 AromaticContact CG-CZ 3.65Å; F215-F246 HydrophobicContact CG-CZ 3.65Å; F215-F246 HydrophobicContact CZ-CB 3.8Å; F215-F246 HydrophobicContact CZ-CD1 4.28Å; F215-F246 AromaticContact CZ-CD2 3.67Å; F215-F246 HydrophobicContact CZ-CD2 3.67Å; F215-F246 HydrophobicContact CZ-CE2 4.35Å; F215-F246 AromaticContact CZ-CG 3.66Å; F215-F246 HydrophobicContact CZ-CG 3.66Å; F215-R396 VanDerWaalsContact CE1-NH2 3.29Å; F215-I710 HydrophobicContact CD2-CD1 4.36Å; F215-I710 HydrophobicContact CE1-CG2 3.55Å; F215-I710 HydrophobicContact CE2-CD1 4.33Å; F215-I710 HydrophobicContact CE2-CG2 3.83Å; F215-I710 HydrophobicContact CG-CD1 4.5Å; F215-I710 HydrophobicContact CZ-CB 4.49Å; F215-I710 HydrophobicContact CZ-CD1 4.42Å; F215-I710 HydrophobicContact CZ-CG2 3.15Å; F215-I710 WeakPolarHBondContact O-CD1 3.47Å; F215-V736 HydrophobicContact CE2-CG2 4.29Å; F215-V736 HydrophobicContact CZ-CG2 3.62Å
216	N	82.5	Confident	80.5	Confident	60 Å²	60	48 Å²	48	32%	0.321	25%	0.248	S	C	.	.	H	α-helix	trans	-52.8	-27.7	-177.3	-72	-25.6	0	0	0	115.1	I212 E213 S392	I212-N216 WeakPolarHBondContact O-CB 3.37Å; I212-N216 PolarHBondContact O-N 2.74Å; I212-N216 PolarHBondContact O-ND2 3.13Å; E213-N216 PolarHBondContact O-N 3.01Å; E213-N216 VanDerWaalsContact O-N 3.14Å; N216-S392 VanDerWaalsContact OD1-CB 3.24Å; N216-S392 WeakPolarHBondContact OD1-CB 3.39Å; N216-S392 PolarHBondContact OD1-OG 3.21Å
217	N	76.2	Confident	79.1	Confident	100 Å²	100	47.6 Å²	47.6	54%	0.535	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.3	179.1	-66.7	-32.8	0	0	0	114.5	E213 L214 F215 L219	E213-N217 PolarHBondContact O-N 3.45Å; E213-N217 PolarHBondContact O-ND2 2.69Å; L214-N217 PolarHBondContact O-N 3.25Å; F215-N217 PolarHBondContact O-N 2.82Å; N217-L219 VanDerWaalsContact C-N 3.32Å; N217-L219 HydrophobicContact CB-CD1 3.97Å; N217-L219 HydrophobicContact CB-CG 3.98Å
218	G	73.1	Confident	77.5	Confident	7 Å²	7	54.1 Å²	54.1	7%	0.072	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	10.6	-175.4	0	0	0	0	0	114	L214 F215 P479	L214-G218 PolarHBondContact O-N 3.31Å; F215-G218 PolarHBondContact O-N 3.09Å; G218-P479 WeakPolarHBondContact O-CB 3.37Å
219	L	75.3	Confident	76	Confident	43 Å²	43	53.3 Å²	53.3	23%	0.225	29%	0.289	C	S	.	.			trans	-102.1	2.2	-168.9	-58.3	178.4	0	0	0	114.1	L214 N217 G221 N222 Y591	L214-L219 HydrophobicContact CB-CB 4.38Å; L214-L219 HydrophobicContact CD2-CB 3.84Å; L214-L219 HydrophobicContact CD2-CD1 4.25Å; L214-L219 WeakPolarHBondContact O-CA 3.24Å; L214-L219 PolarHBondContact O-N 3.11Å; N217-L219 VanDerWaalsContact C-N 3.32Å; N217-L219 HydrophobicContact CB-CD1 3.97Å; N217-L219 HydrophobicContact CB-CG 3.98Å; L219-G221 PolarHBondContact O-N 3.28Å; L219-G221 VanDerWaalsContact O-N 3.12Å; L219-N222 VanDerWaalsContact O-CB 3.27Å; L219-N222 WeakPolarHBondContact O-CB 3.24Å; L219-N222 PolarHBondContact O-N 3.48Å; L219-Y591 HydrophobicContact CD2-CD2 4.32Å; L219-Y591 HydrophobicContact CD2-CE2 3.71Å
220	I	73.6	Confident	74.6	Confident	19 Å²	19	54.6 Å²	54.6	10%	0.097	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62	-23.2	-177.5	-156.5	173.6	0	0	0	113	T211 L214 F215 N222 T223 L239 F246	T211-I220 HydrophobicContact CG2-CD1 3.98Å; T211-I220 HydrophobicContact CG2-CG1 4.45Å; L214-I220 PolarHBondContact O-N 3.23Å; F215-I220 HydrophobicContact CB-CB 4.34Å; F215-I220 HydrophobicContact CB-CD1 4.07Å; F215-I220 HydrophobicContact CD2-CD1 4.17Å; F215-I220 HydrophobicContact CD2-CG2 4.23Å; I220-N222 PolarHBondContact O-N 2.88Å; I220-T223 PolarHBondContact O-N 3.42Å; I220-T223 PolarHBondContact O-OG1 2.7Å; I220-L239 HydrophobicContact CB-CD1 4.34Å; I220-L239 HydrophobicContact CD1-CD1 3.43Å; I220-L239 VanDerWaalsContact CD1-CD1 3.43Å; I220-L239 HydrophobicContact CG1-CD1 3.6Å; I220-L239 HydrophobicContact CG2-CD1 3.91Å; I220-F246 HydrophobicContact CD1-CE2 4.21Å
221	G	67.3	Low	73.8	Confident	4 Å²	4	49.6 Å²	49.6	4%	0.041	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31	171.9	0	0	0	0	0	112.7	L219 T223 L224	L219-G221 PolarHBondContact O-N 3.28Å; L219-G221 VanDerWaalsContact O-N 3.12Å; G221-T223 PolarHBondContact O-N 3.18Å; G221-L224 VanDerWaalsContact O-CB 3.25Å; G221-L224 WeakPolarHBondContact O-CB 3.44Å; G221-L224 WeakPolarHBondContact O-CD1 3.39Å; G221-L224 WeakPolarHBondContact O-CG 3.39Å; G221-L224 PolarHBondContact O-N 3.48Å
222	N	68.4	Low	73.2	Confident	68 Å²	68	50.8 Å²	50.8	36%	0.364	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-69.5	-22.6	-176.7	-62.5	0.1	0	0	0	112.7	L219 I220 L224	L219-N222 VanDerWaalsContact O-CB 3.27Å; L219-N222 WeakPolarHBondContact O-CB 3.24Å; L219-N222 PolarHBondContact O-N 3.48Å; I220-N222 PolarHBondContact O-N 2.88Å; N222-L224 VanDerWaalsContact C-N 3.29Å
223	T	69.6	Low	72.5	Confident	56 Å²	56	53.5 Å²	53.5	34%	0.344	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-84.8	-4.8	178.9	61.3	0	0	0	0	113.1	L214 I220 G221 N235	L214-T223 HydrophobicContact CD1-CG2 3.43Å; L214-T223 VanDerWaalsContact CD1-CG2 3.43Å; I220-T223 PolarHBondContact O-N 3.42Å; I220-T223 PolarHBondContact O-OG1 2.7Å; G221-T223 PolarHBondContact O-N 3.18Å; T223-N235 PolarHBondContact O-ND2 3.23Å
224	L	71	Confident	72.2	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-67.2	-47.6	-178.4	-80.2	165.7	0	0	0	112.4	G221 N222 V231 N235 L239 V482 I506	G221-L224 VanDerWaalsContact O-CB 3.25Å; G221-L224 WeakPolarHBondContact O-CB 3.44Å; G221-L224 WeakPolarHBondContact O-CD1 3.39Å; G221-L224 WeakPolarHBondContact O-CG 3.39Å; G221-L224 PolarHBondContact O-N 3.48Å; N222-L224 VanDerWaalsContact C-N 3.29Å; L224-V231 HydrophobicContact CB-CG2 4.39Å; L224-V231 HydrophobicContact CD2-CG1 4.43Å; L224-N235 WeakPolarHBondContact O-CB 3.42Å; L224-N235 PolarHBondContact O-ND2 2.77Å; L224-L239 HydrophobicContact CD1-CD2 3.86Å; L224-L239 HydrophobicContact CD2-CB 4.07Å; L224-L239 HydrophobicContact CD2-CD2 3.18Å; L224-L239 HydrophobicContact CD2-CG 4.19Å; L224-L239 HydrophobicContact CG-CD2 3.74Å; L224-V482 HydrophobicContact CD1-CG2 3.13Å; L224-V482 HydrophobicContact CD2-CG2 4.28Å; L224-V482 HydrophobicContact CG-CG2 4.28Å; L224-I506 HydrophobicContact CB-CD1 4.45Å; L224-I506 HydrophobicContact CD1-CD1 3.91Å
225	R	70.4	Confident	72	Confident	79 Å²	79	54.5 Å²	54.5	30%	0.298	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-90	133.3	-174	-66	-177.3	-174.8	-90	0.4	109	G229 I230 V231 T447	R225-G229 VanDerWaalsContact CD-O 3.29Å; R225-G229 WeakPolarHBondContact CD-O 3.49Å; R225-G229 WeakPolarHBondContact CG-O 3.33Å; R225-G229 PolarHBondContact NH1-O 3.19Å; R225-I230 WeakPolarHBondContact CA-O 3.3Å; R225-V231 HydrophobicContact CG-CG2 4.29Å; R225-T447 VanDerWaalsContact NH2-CB 3.25Å; R225-T447 PolarHBondContact NH2-O 2.9Å; R225-T447 PolarHBondContact NH2-OG1 2.96Å
226	N	69	Low	71.9	Confident	49 Å²	49	55.2 Å²	55.2	26%	0.262	31%	0.308	S	S	.	.			trans	-69.5	-178	166.6	66.8	10.6	0	0	0	110.4	L228 G229 I230 T232	N226-L228 PolarHBondContact O-N 2.79Å; N226-L228 WeakPolarHBondContact OD1-CA 3.37Å; N226-L228 WeakPolarHBondContact OD1-CB 3.27Å; N226-L228 PolarHBondContact OD1-N 3.41Å; N226-G229 PolarHBondContact O-N 3.32Å; N226-G229 PolarHBondContact OD1-N 3.07Å; N226-I230 PolarHBondContact N-O 3.11Å; N226-I230 PolarHBondContact OD1-N 3.27Å; N226-I230 PolarHBondContact OD1-O 3.15Å; N226-T232 HydrophobicContact CB-CG2 4.27Å
227	S	62.5	Low	71.9	Confident	102 Å²	102	57.4 Å²	57.4	71%	0.713	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.2	177.7	54.3	0	0	0	0	114.7
228	L	56.4	Low	72.3	Confident	138 Å²	138	54 Å²	54	72%	0.723	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	2.1	176.5	-71	142.9	0	0	0	113	N226 I230	N226-L228 PolarHBondContact O-N 2.79Å; N226-L228 WeakPolarHBondContact OD1-CA 3.37Å; N226-L228 WeakPolarHBondContact OD1-CB 3.27Å; N226-L228 PolarHBondContact OD1-N 3.41Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 HydrophobicContact CB-CD1 4.16Å; L228-I230 HydrophobicContact CB-CG1 4.22Å; L228-I230 PolarHBondContact O-N 3.34Å
229	G	62.6	Low	72.8	Confident	29 Å²	29	54 Å²	54	30%	0.299	30%	0.297	S	S	.	.	S	Bend	trans	79.4	7.6	-176.3	0	0	0	0	0	113.8	R225 N226	R225-G229 VanDerWaalsContact CD-O 3.29Å; R225-G229 WeakPolarHBondContact CD-O 3.49Å; R225-G229 WeakPolarHBondContact CG-O 3.33Å; R225-G229 PolarHBondContact NH1-O 3.19Å; N226-G229 PolarHBondContact O-N 3.32Å; N226-G229 PolarHBondContact OD1-N 3.07Å
230	I	63.9	Low	73.3	Confident	99 Å²	99	52.7 Å²	52.7	51%	0.508	29%	0.292	S	S	.	.			trans	-98.6	135.6	-173.9	-56.6	173.1	0	0	0	109.8	R225 N226 L228 T232	R225-I230 WeakPolarHBondContact CA-O 3.3Å; N226-I230 PolarHBondContact N-O 3.11Å; N226-I230 PolarHBondContact OD1-N 3.27Å; N226-I230 PolarHBondContact OD1-O 3.15Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 HydrophobicContact CB-CD1 4.16Å; L228-I230 HydrophobicContact CB-CG1 4.22Å; L228-I230 PolarHBondContact O-N 3.34Å; I230-T232 PolarHBondContact O-N 3.15Å
231	V	72.6	Confident	74	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.085	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-76.9	115.6	171.4	-178.6	0	0	0	0	108.6	L224 R225 F236 I506	L224-V231 HydrophobicContact CB-CG2 4.39Å; L224-V231 HydrophobicContact CD2-CG1 4.43Å; R225-V231 HydrophobicContact CG-CG2 4.29Å; V231-F236 HydrophobicContact CG1-CB 3.99Å; V231-I506 HydrophobicContact CG2-CD1 4.28Å
232	T	75.3	Confident	75.1	Confident	42 Å²	42	52.7 Å²	52.7	26%	0.258	29%	0.29	S	S	.	.			trans	-85.6	154.4	174.7	67.7	0	0	0	0	110.1	N226 I230 D234 N235 F236	N226-T232 HydrophobicContact CB-CG2 4.27Å; I230-T232 PolarHBondContact O-N 3.15Å; T232-D234 PolarHBondContact O-N 3.3Å; T232-N235 PolarHBondContact O-N 3.05Å; T232-N235 VanDerWaalsContact OG1-CB 3.27Å; T232-N235 WeakPolarHBondContact OG1-CB 3.29Å; T232-N235 PolarHBondContact OG1-N 3.21Å; T232-N235 VanDerWaalsContact OG1-N 3.08Å; T232-N235 PolarHBondContact OG1-ND2 2.8Å; T232-N235 PolarHBondContact OG1-OD1 3.03Å; T232-F236 WeakPolarHBondContact O-CB 3.4Å; T232-F236 PolarHBondContact O-N 3.45Å
233	N	77.2	Confident	76	Confident	60 Å²	60	49.9 Å²	49.9	32%	0.321	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-35.2	175.2	-69.4	-14.3	0	0	0	112.1	F236 K237 C500 T502	N233-F236 PolarHBondContact O-N 3.39Å; N233-K237 WeakPolarHBondContact O-CB 3.43Å; N233-K237 PolarHBondContact O-N 3.09Å; N233-C500 PolarHBondContact ND2-O 3.15Å; N233-C500 PolarHBondContact OD1-O 3.13Å; N233-T502 PolarHBondContact OD1-N 3.35Å; N233-T502 VanDerWaalsContact OD1-N 3.09Å; N233-T502 PolarHBondContact OD1-OG1 3.26Å
234	D	80.3	Confident	77	Confident	124 Å²	124	48 Å²	48	66%	0.663	26%	0.262	S	S	*	.	H	α-helix	trans	-68.6	-44.8	178.4	-66.8	-30.2	0	0	0	111.5	T232 F236 K237 S238	T232-D234 PolarHBondContact O-N 3.3Å; D234-F236 VanDerWaalsContact C-N 3.31Å; D234-F236 PolarHBondContact O-N 3.19Å; D234-K237 PolarHBondContact O-N 3.4Å; D234-S238 WeakPolarHBondContact O-CB 3.43Å; D234-S238 PolarHBondContact O-N 3.06Å
235	N	80.9	Confident	78.1	Confident	49 Å²	49	48 Å²	48	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.2	-69.4	3.8	0	0	0	110.6	T223 L224 T232 S238 L239	T223-N235 PolarHBondContact O-ND2 3.23Å; L224-N235 WeakPolarHBondContact O-CB 3.42Å; L224-N235 PolarHBondContact O-ND2 2.77Å; T232-N235 PolarHBondContact O-N 3.05Å; T232-N235 VanDerWaalsContact OG1-CB 3.27Å; T232-N235 WeakPolarHBondContact OG1-CB 3.29Å; T232-N235 PolarHBondContact OG1-N 3.21Å; T232-N235 VanDerWaalsContact OG1-N 3.08Å; T232-N235 PolarHBondContact OG1-ND2 2.8Å; T232-N235 PolarHBondContact OG1-OD1 3.03Å; N235-S238 PolarHBondContact O-N 2.87Å; N235-L239 WeakPolarHBondContact O-CB 3.39Å; N235-L239 PolarHBondContact O-N 2.82Å
236	F	81.1	Confident	79.2	Confident	17 Å²	17	44.2 Å²	44.2	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-45.6	176.8	179.9	-101.8	0	0	0	112	V231 T232 N233 D234 S238 L239 S240 C485 T502 I739 T741	V231-F236 HydrophobicContact CG1-CB 3.99Å; T232-F236 WeakPolarHBondContact O-CB 3.4Å; T232-F236 PolarHBondContact O-N 3.45Å; N233-F236 PolarHBondContact O-N 3.39Å; D234-F236 VanDerWaalsContact C-N 3.31Å; D234-F236 PolarHBondContact O-N 3.19Å; F236-S238 PolarHBondContact O-N 3.34Å; F236-L239 PolarHBondContact O-N 2.92Å; F236-S240 VanDerWaalsContact O-CB 3.28Å; F236-S240 WeakPolarHBondContact O-CB 3.33Å; F236-S240 PolarHBondContact O-N 2.86Å; F236-C485 HydrophobicContact CE2-CB 3.84Å; F236-C485 WeakPolarHBondContact CE2-SG 3.33Å; F236-C485 HydrophobicContact CZ-CB 4.08Å; F236-T502 HydrophobicContact CB-CG2 4.26Å; F236-T502 HydrophobicContact CD1-CG2 3.84Å; F236-T502 HydrophobicContact CD2-CG2 3.9Å; F236-T502 HydrophobicContact CE1-CG2 4.18Å; F236-T502 HydrophobicContact CE2-CG2 4.24Å; F236-T502 HydrophobicContact CG-CG2 3.69Å; F236-T502 HydrophobicContact CZ-CG2 4.38Å; F236-I739 HydrophobicContact CE2-CG2 3.9Å; F236-I739 HydrophobicContact CZ-CG2 4.05Å; F236-T741 HydrophobicContact CE1-CG2 3.4Å; F236-T741 HydrophobicContact CZ-CG2 3.35Å
237	K	82.8	Confident	80.4	Confident	106 Å²	106	44 Å²	44	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-59.2	-48.1	176.2	-178.5	-177.6	177.9	-169.8	0	110.3	H204 N233 D234 L239 S240 Q241	H204-K237 VanDerWaalsContact O-CE 3.27Å; H204-K237 WeakPolarHBondContact O-CE 3.41Å; N233-K237 WeakPolarHBondContact O-CB 3.43Å; N233-K237 PolarHBondContact O-N 3.09Å; D234-K237 PolarHBondContact O-N 3.4Å; K237-L239 PolarHBondContact O-N 2.93Å; K237-S240 PolarHBondContact O-N 2.79Å; K237-Q241 HydrophobicContact CG-CG 4.07Å; K237-Q241 VanDerWaalsContact O-CB 3.25Å; K237-Q241 WeakPolarHBondContact O-CB 3.48Å; K237-Q241 WeakPolarHBondContact O-CG 3.49Å; K237-Q241 PolarHBondContact O-N 3.42Å
238	S	85.4	Confident	81.9	Confident	29 Å²	29	39.8 Å²	39.8	20%	0.203	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-47.5	177.8	-172.4	0	0	0	0	111.8	G205 D234 N235 F236 G242	G205-S238 VanDerWaalsContact O-CA 3.27Å; G205-S238 WeakPolarHBondContact O-CA 3.05Å; G205-S238 WeakPolarHBondContact O-CB 2.99Å; G205-S238 PolarHBondContact O-OG 3.12Å; D234-S238 WeakPolarHBondContact O-CB 3.43Å; D234-S238 PolarHBondContact O-N 3.06Å; N235-S238 PolarHBondContact O-N 2.87Å; F236-S238 PolarHBondContact O-N 3.34Å; S238-G242 PolarHBondContact O-N 3.49Å
239	L	83.5	Confident	83.9	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-52.1	176.5	177.7	67.3	0	0	0	111.8	I220 L224 N235 F236 K237 Q241 G242 M243 V482 I739	I220-L239 HydrophobicContact CB-CD1 4.34Å; I220-L239 HydrophobicContact CD1-CD1 3.43Å; I220-L239 VanDerWaalsContact CD1-CD1 3.43Å; I220-L239 HydrophobicContact CG1-CD1 3.6Å; I220-L239 HydrophobicContact CG2-CD1 3.91Å; L224-L239 HydrophobicContact CD1-CD2 3.86Å; L224-L239 HydrophobicContact CD2-CB 4.07Å; L224-L239 HydrophobicContact CD2-CD2 3.18Å; L224-L239 HydrophobicContact CD2-CG 4.19Å; L224-L239 HydrophobicContact CG-CD2 3.74Å; N235-L239 WeakPolarHBondContact O-CB 3.39Å; N235-L239 PolarHBondContact O-N 2.82Å; F236-L239 PolarHBondContact O-N 2.92Å; K237-L239 PolarHBondContact O-N 2.93Å; L239-Q241 PolarHBondContact O-N 2.92Å; L239-G242 PolarHBondContact O-N 3.22Å; L239-M243 HydrophobicContact CD1-CG 3.86Å; L239-M243 HydrophobicContact CD1-SD 4.39Å; L239-M243 HydrophobicContact CG-CG 4.16Å; L239-M243 WeakPolarHBondContact O-CB 3.47Å; L239-M243 VanDerWaalsContact O-CG 3.23Å; L239-M243 WeakPolarHBondContact O-CG 3.19Å; L239-M243 PolarHBondContact O-N 3.48Å; L239-V482 HydrophobicContact CD2-CG2 3.75Å; L239-I739 HydrophobicContact CD1-CD1 4.49Å; L239-I739 HydrophobicContact CD2-CD1 3.39Å; L239-I739 HydrophobicContact CG-CD1 3.62Å
240	S	84.7	Confident	85.4	Confident	16 Å²	16	31.9 Å²	31.9	11%	0.112	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-46.8	-175.9	177.2	0	0	0	0	111.4	F236 K237 M243 N244	F236-S240 VanDerWaalsContact O-CB 3.28Å; F236-S240 WeakPolarHBondContact O-CB 3.33Å; F236-S240 PolarHBondContact O-N 2.86Å; K237-S240 PolarHBondContact O-N 2.79Å; S240-M243 PolarHBondContact O-N 2.78Å; S240-N244 PolarHBondContact O-N 3.3Å; S240-N244 PolarHBondContact O-ND2 3.46Å; S240-N244 VanDerWaalsContact O-ND2 3.09Å
241	Q	89.1	Confident	87	Confident	22 Å²	22	27.8 Å²	27.8	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-41.8	176.7	-64	-70.8	-36.9	0	0	111.4	Y201 G205 K237 L239 N244 A245	Y201-Q241 HydrophobicContact CD1-CB 4.47Å; G205-Q241 VanDerWaalsContact CA-CB 3.45Å; K237-Q241 HydrophobicContact CG-CG 4.07Å; K237-Q241 VanDerWaalsContact O-CB 3.25Å; K237-Q241 WeakPolarHBondContact O-CB 3.48Å; K237-Q241 WeakPolarHBondContact O-CG 3.49Å; K237-Q241 PolarHBondContact O-N 3.42Å; L239-Q241 PolarHBondContact O-N 2.92Å; Q241-N244 WeakPolarHBondContact O-CB 3.33Å; Q241-N244 PolarHBondContact O-N 3.08Å; Q241-A245 PolarHBondContact O-N 2.94Å
242	G	90.4	Very high	88.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-46	173.7	0	0	0	0	0	113.2	S238 L239 N244 A245 F246	S238-G242 PolarHBondContact O-N 3.49Å; L239-G242 PolarHBondContact O-N 3.22Å; G242-N244 VanDerWaalsContact C-N 3.3Å; G242-N244 PolarHBondContact O-N 2.75Å; G242-A245 WeakPolarHBondContact O-CB 3.47Å; G242-A245 PolarHBondContact O-N 2.8Å; G242-A245 VanDerWaalsContact O-N 3.09Å; G242-F246 VanDerWaalsContact C-CD2 3.49Å; G242-F246 WeakPolarHBondContact O-CD2 3.2Å; G242-F246 WeakPolarHBondContact O-CE2 3.27Å; G242-F246 VanDerWaalsContact O-CG 3.32Å; G242-F246 WeakPolarHBondContact O-CG 3.42Å; G242-F246 PolarHBondContact O-N 2.91Å
243	M	87.4	Confident	89.2	Confident	10 Å²	10	25.2 Å²	25.2	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-37.9	176.5	-69.4	-63.4	-73.1	0	0	112.1	F215 L239 S240 F246 Y247 V736 L737 I739	F215-M243 HydrophobicContact CD2-SD 4.14Å; F215-M243 HydrophobicContact CE2-SD 3.76Å; L239-M243 HydrophobicContact CD1-CG 3.86Å; L239-M243 HydrophobicContact CD1-SD 4.39Å; L239-M243 HydrophobicContact CG-CG 4.16Å; L239-M243 WeakPolarHBondContact O-CB 3.47Å; L239-M243 VanDerWaalsContact O-CG 3.23Å; L239-M243 WeakPolarHBondContact O-CG 3.19Å; L239-M243 PolarHBondContact O-N 3.48Å; S240-M243 PolarHBondContact O-N 2.78Å; M243-F246 PolarHBondContact O-N 3.37Å; M243-F246 HydrophobicContact SD-CD2 4.37Å; M243-Y247 VanDerWaalsContact O-CB 3.3Å; M243-Y247 WeakPolarHBondContact O-CB 3.06Å; M243-Y247 PolarHBondContact O-N 3.47Å; M243-V736 HydrophobicContact CE-CG1 3.54Å; M243-V736 HydrophobicContact SD-CG1 4.24Å; M243-L737 WeakPolarHBondContact CE-O 3.33Å; M243-I739 HydrophobicContact CB-CG1 4.43Å; M243-I739 HydrophobicContact CG-CD1 3.97Å; M243-I739 HydrophobicContact CG-CG1 4.23Å
244	N	90.5	Very high	90.1	Very high	15 Å²	15	26.9 Å²	26.9	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-43.7	171.8	-76.3	-43.7	0	0	0	111.9	Y201 S240 Q241 G242 F246 Y247 L248 P738	Y201-N244 HydrophobicContact CD1-CB 3.41Å; Y201-N244 VanDerWaalsContact CD1-CB 3.41Å; Y201-N244 HydrophobicContact CD2-CB 4.47Å; Y201-N244 HydrophobicContact CE1-CB 3.49Å; Y201-N244 VanDerWaalsContact CE1-CB 3.49Å; Y201-N244 HydrophobicContact CG-CB 3.97Å; S240-N244 PolarHBondContact O-N 3.3Å; S240-N244 PolarHBondContact O-ND2 3.46Å; S240-N244 VanDerWaalsContact O-ND2 3.09Å; Q241-N244 WeakPolarHBondContact O-CB 3.33Å; Q241-N244 PolarHBondContact O-N 3.08Å; G242-N244 VanDerWaalsContact C-N 3.3Å; G242-N244 PolarHBondContact O-N 2.75Å; N244-F246 PolarHBondContact O-N 3.46Å; N244-Y247 PolarHBondContact O-N 2.81Å; N244-L248 WeakPolarHBondContact O-CB 3.34Å; N244-L248 VanDerWaalsContact O-CG 3.32Å; N244-L248 WeakPolarHBondContact O-CG 2.89Å; N244-L248 PolarHBondContact O-N 2.73Å; N244-P738 WeakPolarHBondContact OD1-CB 3.37Å
245	A	94.3	Very high	91	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-46.3	174.8	0	0	0	0	0	111.8	I198 L202 Q241 G242 Y247 L248 A249	I198-A245 HydrophobicContact CG2-CB 4.17Å; L202-A245 HydrophobicContact CD2-CB 3.68Å; L202-A245 HydrophobicContact CG-CB 4Å; Q241-A245 PolarHBondContact O-N 2.94Å; G242-A245 WeakPolarHBondContact O-CB 3.47Å; G242-A245 PolarHBondContact O-N 2.8Å; G242-A245 VanDerWaalsContact O-N 3.09Å; A245-Y247 PolarHBondContact O-N 2.8Å; A245-L248 PolarHBondContact O-N 3.14Å; A245-A249 WeakPolarHBondContact O-CB 3.37Å; A245-A249 PolarHBondContact O-N 3.23Å
246	F	93.7	Very high	91.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.9	-36.5	178.3	-60.2	-50.1	0	0	0	113	I212 F215 I220 G242 M243 N244 D250 T389 V736	I212-F246 HydrophobicContact CB-CZ 4.49Å; I212-F246 HydrophobicContact CG1-CE1 4.06Å; I212-F246 HydrophobicContact CG1-CZ 4.05Å; I212-F246 HydrophobicContact CG2-CE1 4.3Å; F215-F246 HydrophobicContact CB-CE2 3.72Å; F215-F246 HydrophobicContact CB-CZ 3.76Å; F215-F246 AromaticContact CD1-CD1 3.94Å; F215-F246 HydrophobicContact CD1-CD1 3.94Å; F215-F246 AromaticContact CD1-CD2 3.92Å; F215-F246 HydrophobicContact CD1-CD2 3.92Å; F215-F246 AromaticContact CD1-CE1 3.84Å; F215-F246 HydrophobicContact CD1-CE1 3.84Å; F215-F246 AromaticContact CD1-CE2 3.82Å; F215-F246 HydrophobicContact CD1-CE2 3.82Å; F215-F246 HydrophobicContact CD1-CG 4.01Å; F215-F246 AromaticContact CD1-CZ 3.8Å; F215-F246 HydrophobicContact CD1-CZ 3.8Å; F215-F246 AromaticContact CD2-CD2 3.45Å; F215-F246 HydrophobicContact CD2-CD2 3.45Å; F215-F246 VanDerWaalsContact CD2-CD2 3.45Å; F215-F246 AromaticContact CD2-CE2 3.45Å; F215-F246 HydrophobicContact CD2-CE2 3.45Å; F215-F246 VanDerWaalsContact CD2-CE2 3.45Å; F215-F246 HydrophobicContact CD2-CG 4.24Å; F215-F246 HydrophobicContact CD2-CZ 4.23Å; F215-F246 HydrophobicContact CE1-CB 4.18Å; F215-F246 AromaticContact CE1-CD1 3.85Å; F215-F246 HydrophobicContact CE1-CD1 3.85Å; F215-F246 AromaticContact CE1-CD2 3.91Å; F215-F246 HydrophobicContact CE1-CD2 3.91Å; F215-F246 HydrophobicContact CE1-CE1 4.24Å; F215-F246 HydrophobicContact CE1-CE2 4.3Å; F215-F246 AromaticContact CE1-CG 3.71Å; F215-F246 HydrophobicContact CE1-CG 3.71Å; F215-F246 HydrophobicContact CE1-CZ 4.46Å; F215-F246 HydrophobicContact CE2-CB 4.28Å; F215-F246 AromaticContact CE2-CD2 3.44Å; F215-F246 HydrophobicContact CE2-CD2 3.44Å; F215-F246 VanDerWaalsContact CE2-CD2 3.44Å; F215-F246 AromaticContact CE2-CE2 3.97Å; F215-F246 HydrophobicContact CE2-CE2 3.97Å; F215-F246 AromaticContact CE2-CG 3.95Å; F215-F246 HydrophobicContact CE2-CG 3.95Å; F215-F246 HydrophobicContact CG-CD1 4.46Å; F215-F246 AromaticContact CG-CD2 3.68Å; F215-F246 HydrophobicContact CG-CD2 3.68Å; F215-F246 HydrophobicContact CG-CE1 4.19Å; F215-F246 AromaticContact CG-CE2 3.36Å; F215-F246 HydrophobicContact CG-CE2 3.36Å; F215-F246 HydrophobicContact CG-CG 4.26Å; F215-F246 AromaticContact CG-CZ 3.65Å; F215-F246 HydrophobicContact CG-CZ 3.65Å; F215-F246 HydrophobicContact CZ-CB 3.8Å; F215-F246 HydrophobicContact CZ-CD1 4.28Å; F215-F246 AromaticContact CZ-CD2 3.67Å; F215-F246 HydrophobicContact CZ-CD2 3.67Å; F215-F246 HydrophobicContact CZ-CE2 4.35Å; F215-F246 AromaticContact CZ-CG 3.66Å; F215-F246 HydrophobicContact CZ-CG 3.66Å; I220-F246 HydrophobicContact CD1-CE2 4.21Å; G242-F246 VanDerWaalsContact C-CD2 3.49Å; G242-F246 WeakPolarHBondContact O-CD2 3.2Å; G242-F246 WeakPolarHBondContact O-CE2 3.27Å; G242-F246 VanDerWaalsContact O-CG 3.32Å; G242-F246 WeakPolarHBondContact O-CG 3.42Å; G242-F246 PolarHBondContact O-N 2.91Å; M243-F246 PolarHBondContact O-N 3.37Å; M243-F246 HydrophobicContact SD-CD2 4.37Å; N244-F246 PolarHBondContact O-N 3.46Å; F246-D250 PolarHBondContact O-N 2.73Å; F246-D250 VanDerWaalsContact O-N 3.08Å; F246-T389 HydrophobicContact CD1-CG2 3.83Å; F246-T389 HydrophobicContact CE1-CG2 4.1Å; F246-V736 HydrophobicContact CB-CG1 4.21Å; F246-V736 HydrophobicContact CB-CG2 4.23Å
247	Y	93	Very high	92.5	Very high	46 Å²	46	21.4 Å²	21.4	18%	0.18	10%	0.101	C	C	.	.	H	α-helix	trans	-64.7	-46.7	173	171.9	-102	0	0	0	111.9	M243 N244 A245 A249 D250 L251 P734 V736 I778	M243-Y247 VanDerWaalsContact O-CB 3.3Å; M243-Y247 WeakPolarHBondContact O-CB 3.06Å; M243-Y247 PolarHBondContact O-N 3.47Å; N244-Y247 PolarHBondContact O-N 2.81Å; A245-Y247 PolarHBondContact O-N 2.8Å; Y247-A249 VanDerWaalsContact C-N 3.3Å; Y247-A249 PolarHBondContact O-N 3.18Å; Y247-D250 VanDerWaalsContact O-CB 3.3Å; Y247-D250 WeakPolarHBondContact O-CB 2.99Å; Y247-D250 PolarHBondContact O-N 3.06Å; Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.54Å; Y247-L251 HydrophobicContact CE1-CG 4.16Å; Y247-L251 WeakPolarHBondContact O-CG 3Å; Y247-L251 PolarHBondContact O-N 3.39Å; Y247-L251 VanDerWaalsContact O-N 3.08Å; Y247-P734 HydrophobicContact CD2-CB 3.73Å; Y247-P734 HydrophobicContact CD2-CG 4.23Å; Y247-P734 HydrophobicContact CE2-CB 3.6Å; Y247-P734 HydrophobicContact CE2-CG 3.57Å; Y247-V736 VanDerWaalsContact CD2-O 3.29Å; Y247-V736 WeakPolarHBondContact CD2-O 3.38Å; Y247-I778 HydrophobicContact CD1-CD1 3.6Å; Y247-I778 HydrophobicContact CE1-CD1 3.54Å
248	L	95.5	Very high	93.1	Very high	13 Å²	13	16.4 Å²	16.4	7%	0.068	8%	0.079	C	C	.	.	H	α-helix	trans	-64.8	-36.3	177.7	-71.7	179.3	0	0	0	111.9	D197 I198 Y201 N244 A245 L251 V252	D197-L248 HydrophobicContact CB-CD1 4.25Å; I198-L248 HydrophobicContact CD1-CB 4.26Å; I198-L248 HydrophobicContact CG1-CB 3.64Å; I198-L248 HydrophobicContact CG1-CD1 4.44Å; Y201-L248 HydrophobicContact CD2-CD1 3.47Å; Y201-L248 VanDerWaalsContact CD2-CD1 3.47Å; Y201-L248 HydrophobicContact CE2-CD1 3.5Å; N244-L248 WeakPolarHBondContact O-CB 3.34Å; N244-L248 VanDerWaalsContact O-CG 3.32Å; N244-L248 WeakPolarHBondContact O-CG 2.89Å; N244-L248 PolarHBondContact O-N 2.73Å; A245-L248 PolarHBondContact O-N 3.14Å; L248-L251 HydrophobicContact CD2-CD1 4.25Å; L248-L251 WeakPolarHBondContact O-CB 3.5Å; L248-L251 PolarHBondContact O-N 2.96Å; L248-V252 WeakPolarHBondContact O-CG2 3.17Å; L248-V252 PolarHBondContact O-N 3.3Å
249	A	97.3	Very high	93.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.9	-41.7	172.9	0	0	0	0	0	112.3	I198 A245 Y247 L251 V252 V253 T389 I390 A393	I198-A249 HydrophobicContact CD1-CB 4.18Å; A245-A249 WeakPolarHBondContact O-CB 3.37Å; A245-A249 PolarHBondContact O-N 3.23Å; Y247-A249 VanDerWaalsContact C-N 3.3Å; Y247-A249 PolarHBondContact O-N 3.18Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.47Å; A249-V252 WeakPolarHBondContact O-CB 3.38Å; A249-V252 PolarHBondContact O-N 3.25Å; A249-V252 VanDerWaalsContact O-N 3.15Å; A249-V253 PolarHBondContact O-N 3.5Å; A249-T389 HydrophobicContact CB-CG2 3.91Å; A249-I390 HydrophobicContact CB-CD1 3.85Å; A249-A393 HydrophobicContact CB-CB 3.83Å
250	D	95.4	Very high	94.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58	-42.8	171.6	-95	-6.3	0	0	0	111.7	F246 Y247 V252 V253 R254 R396 P733 P734 F735 V736	F246-D250 PolarHBondContact O-N 2.73Å; F246-D250 VanDerWaalsContact O-N 3.08Å; Y247-D250 VanDerWaalsContact O-CB 3.3Å; Y247-D250 WeakPolarHBondContact O-CB 2.99Å; Y247-D250 PolarHBondContact O-N 3.06Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 2.88Å; D250-V253 PolarHBondContact O-N 2.78Å; D250-R254 PolarHBondContact O-N 2.97Å; D250-R396 IonicContact OD1-CZ 2.81Å; D250-R396 IonicContact OD1-NH1 3.09Å; D250-R396 PolarHBondContact OD1-NH1 3.02Å; D250-R396 IonicContact OD2-NH1 3.97Å; D250-R396 PolarHBondContact OD2-NH1 3.17Å; D250-P733 HydrophobicContact CB-CB 3.8Å; D250-P733 VanDerWaalsContact O-CB 3.24Å; D250-P733 WeakPolarHBondContact O-CB 3.49Å; D250-P734 HydrophobicContact CB-CB 3.89Å; D250-F735 PolarHBondContact OD2-N 2.77Å; D250-V736 PolarHBondContact OD2-N 3.21Å; D250-V736 VanDerWaalsContact OD2-N 3.09Å
251	L	96.5	Very high	94.7	Very high	14 Å²	14	14.3 Å²	14.3	7%	0.073	6%	0.064	C	C	.	.	H	α-helix	trans	-65.3	-35.6	176.2	-63.2	-175.4	0	0	0	112.5	Y247 L248 A249 R254 D255 P734	Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.54Å; Y247-L251 HydrophobicContact CE1-CG 4.16Å; Y247-L251 WeakPolarHBondContact O-CG 3Å; Y247-L251 PolarHBondContact O-N 3.39Å; Y247-L251 VanDerWaalsContact O-N 3.08Å; L248-L251 HydrophobicContact CD2-CD1 4.25Å; L248-L251 WeakPolarHBondContact O-CB 3.5Å; L248-L251 PolarHBondContact O-N 2.96Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.47Å; L251-R254 WeakPolarHBondContact O-CB 3.42Å; L251-R254 PolarHBondContact O-N 2.79Å; L251-D255 WeakPolarHBondContact O-CB 3.43Å; L251-D255 VanDerWaalsContact O-CG 3.29Å; L251-D255 PolarHBondContact O-N 2.97Å; L251-P734 HydrophobicContact CD2-CB 4.27Å; L251-P734 HydrophobicContact CD2-CG 4.05Å
252	V	97.6	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.2	-46.9	172.7	170.4	0	0	0	0	110.4	F191 R194 I198 L248 A249 D250 R254 D255 F256 I366 I390	F191-V252 HydrophobicContact CE2-CG1 3.87Å; R194-V252 HydrophobicContact CB-CG2 4.02Å; I198-V252 HydrophobicContact CD1-CG2 3.83Å; L248-V252 WeakPolarHBondContact O-CG2 3.17Å; L248-V252 PolarHBondContact O-N 3.3Å; A249-V252 WeakPolarHBondContact O-CB 3.38Å; A249-V252 PolarHBondContact O-N 3.25Å; A249-V252 VanDerWaalsContact O-N 3.15Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 2.88Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 3.43Å; V252-D255 PolarHBondContact O-N 3.16Å; V252-F256 HydrophobicContact CG1-CD2 4.15Å; V252-F256 WeakPolarHBondContact O-CB 3.43Å; V252-F256 PolarHBondContact O-N 3.14Å; V252-I366 HydrophobicContact CG1-CD1 3.99Å; V252-I390 HydrophobicContact CB-CD1 4.31Å; V252-I390 HydrophobicContact CG1-CD1 4.27Å
253	V	97.3	Very high	95.3	Very high	2 Å²	2	16 Å²	16	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-38.3	177.1	177.1	0	0	0	0	111.7	A249 D250 G257 T258 I366 A393 V394 Y397 P733	A249-V253 PolarHBondContact O-N 3.5Å; D250-V253 PolarHBondContact O-N 2.78Å; V253-G257 WeakPolarHBondContact CA-O 3.1Å; V253-G257 CarbonylContact O-C 3.39Å; V253-G257 WeakPolarHBondContact O-CA 3.18Å; V253-G257 PolarHBondContact O-N 2.03Å; V253-T258 HydrophobicContact CG1-CG2 4.09Å; V253-I366 HydrophobicContact CG2-CD1 4.42Å; V253-A393 HydrophobicContact CG2-CB 3.78Å; V253-V394 HydrophobicContact CG2-CG2 3.74Å; V253-Y397 HydrophobicContact CG1-CD1 4.01Å; V253-Y397 HydrophobicContact CG1-CG 4.18Å; V253-P733 HydrophobicContact CB-CG 4.34Å; V253-P733 HydrophobicContact CG1-CG 4.16Å
254	R	96.4	Very high	95.7	Very high	95 Å²	95	15.6 Å²	15.6	36%	0.358	7%	0.073	S	C	.	.	H	α-helix	trans	-63.1	-43.9	176.7	-171.7	-165.7	70.2	-178.1	-4.4	112.6	D250 L251 V252 P733	D250-R254 PolarHBondContact O-N 2.97Å; L251-R254 WeakPolarHBondContact O-CB 3.42Å; L251-R254 PolarHBondContact O-N 2.79Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 3.43Å; R254-P733 HydrophobicContact CB-CB 4.28Å; R254-P733 HydrophobicContact CB-CG 4.41Å; R254-P733 WeakPolarHBondContact CD-O 3.01Å
255	D	97.5	Very high	96	Very high	60 Å²	60	18.4 Å²	18.4	32%	0.321	8%	0.083	S	C	.	.	H	α-helix	trans	-90.9	-32.7	-168.5	-64.9	-14.8	0	0	0	112.9	R75 G76 L251 V252	R75-D255 WeakPolarHBondContact CB-O 3.27Å; G76-D255 PolarHBondContact N-O 3.38Å; L251-D255 WeakPolarHBondContact O-CB 3.43Å; L251-D255 VanDerWaalsContact O-CG 3.29Å; L251-D255 PolarHBondContact O-N 2.97Å; V252-D255 PolarHBondContact O-N 3.16Å
256	F	97.6	Very high	96	Very high	15 Å²	15	18.4 Å²	18.4	7%	0.066	8%	0.083	C	C	.	.	H	α-helix	trans	-111.2	-8.5	-179	-60.4	-88.2	0	0	0	113.4	G66 W67 R75 P77 I78 F191 R194 V252	G66-F256 CarbonylContact C-O 3.33Å; G66-F256 WeakPolarHBondContact CA-O 3.37Å; W67-F256 PolarHBondContact N-O 3.21Å; R75-F256 VanDerWaalsContact CB-C 3.42Å; R75-F256 WeakPolarHBondContact CB-O 3.41Å; P77-F256 VanDerWaalsContact O-CE1 3.31Å; P77-F256 WeakPolarHBondContact O-CE1 3.43Å; I78-F256 HydrophobicContact CD1-CB 4.28Å; I78-F256 HydrophobicContact CG1-CB 4.31Å; I78-F256 HydrophobicContact CG1-CD1 3.95Å; F191-F256 HydrophobicContact CB-CD1 4.39Å; F191-F256 HydrophobicContact CB-CE1 3.83Å; F191-F256 HydrophobicContact CB-CZ 4.1Å; F191-F256 HydrophobicContact CD2-CB 4.33Å; F191-F256 AromaticContact CD2-CD1 3.58Å; F191-F256 HydrophobicContact CD2-CD1 3.58Å; F191-F256 AromaticContact CD2-CD2 3.8Å; F191-F256 HydrophobicContact CD2-CD2 3.8Å; F191-F256 AromaticContact CD2-CE1 3.71Å; F191-F256 HydrophobicContact CD2-CE1 3.71Å; F191-F256 AromaticContact CD2-CE2 3.92Å; F191-F256 HydrophobicContact CD2-CE2 3.92Å; F191-F256 AromaticContact CD2-CG 3.62Å; F191-F256 HydrophobicContact CD2-CG 3.62Å; F191-F256 AromaticContact CD2-CZ 3.88Å; F191-F256 HydrophobicContact CD2-CZ 3.88Å; F191-F256 HydrophobicContact CE2-CB 4.19Å; F191-F256 HydrophobicContact CE2-CD1 4.28Å; F191-F256 HydrophobicContact CE2-CD2 4.16Å; F191-F256 AromaticContact CE2-CG 3.95Å; F191-F256 HydrophobicContact CE2-CG 3.95Å; F191-F256 HydrophobicContact CG-CD1 4.33Å; F191-F256 HydrophobicContact CG-CE1 4.21Å; R194-F256 HydrophobicContact CG-CE2 4.2Å; V252-F256 HydrophobicContact CG1-CD2 4.15Å; V252-F256 WeakPolarHBondContact O-CB 3.43Å; V252-F256 PolarHBondContact O-N 3.14Å
257	G	96.7	Very high	96	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.			trans	81.9	-158.9	-179	0	0	0	0	0	113.1	V253 I366	V253-G257 WeakPolarHBondContact CA-O 3.1Å; V253-G257 CarbonylContact O-C 3.39Å; V253-G257 WeakPolarHBondContact O-CA 3.18Å; V253-G257 PolarHBondContact O-N 2.03Å; G257-I366 WeakPolarHBondContact O-CD1 3.49Å
258	T	95.4	Very high	95.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-107.7	-23.9	-172	56.3	0	0	0	0	113.3	W67 N69 V253 P365 I366 V394 Y397 Y398	W67-T258 PolarHBondContact O-N 2.73Å; W67-T258 PolarHBondContact O-OG1 2.73Å; N69-T258 PolarHBondContact N-OG1 3.28Å; V253-T258 HydrophobicContact CG1-CG2 4.09Å; T258-P365 WeakPolarHBondContact O-CA 3.37Å; T258-I366 PolarHBondContact O-N 3.43Å; T258-V394 HydrophobicContact CG2-CG1 4.18Å; T258-Y397 HydrophobicContact CG2-CD1 3.54Å; T258-Y397 HydrophobicContact CG2-CE1 3.76Å; T258-Y398 HydrophobicContact CG2-CE2 3.83Å
259	H	95	Very high	95.8	Very high	8 Å²	8	15.6 Å²	15.6	4%	0.037	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	162.6	-178	-68	72.1	0	0	0	110.5	G66 W67 I132 Q364 I366	G66-H259 CarbonylContact C-O 3.56Å; G66-H259 WeakPolarHBondContact CA-O 3.45Å; W67-H259 HydrophobicContact CB-CB 4.22Å; W67-H259 PolarHBondContact N-O 2.71Å; W67-H259 PolarHBondContact O-N 2.94Å; I132-H259 HydrophobicContact CD1-CB 4Å; H259-Q364 CarbonylContact C-O 3.54Å; H259-Q364 WeakPolarHBondContact CA-O 3.22Å; H259-Q364 WeakPolarHBondContact CB-O 3.46Å; H259-Q364 VanDerWaalsContact CD2-C 3.5Å; H259-I366 VanDerWaalsContact C-CG2 3.44Å; H259-I366 WeakPolarHBondContact O-CG2 3.47Å
260	C	95.6	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.1	163.9	-176.6	0	0	0	0	109.2	I78 N262 G363 Q364 L369	I78-C260 HydrophobicContact CD1-CB 3.89Å; I78-C260 HydrophobicContact CG2-CB 4.33Å; C260-N262 PolarHBondContact O-N 3.21Å; C260-N262 PolarHBondContact O-OD1 3.09Å; C260-G363 CarbonylContact O-C 3.34Å; C260-G363 WeakPolarHBondContact O-CA 3.22Å; C260-Q364 PolarHBondContact N-O 3.4Å; C260-Q364 PolarHBondContact O-N 2.93Å; C260-Q364 VanDerWaalsContact O-N 3.12Å; C260-L369 HydrophobicContact CB-CD1 3.42Å; C260-L369 VanDerWaalsContact CB-CD1 3.42Å; C260-L369 HydrophobicContact CB-CG 4.35Å
261	I	96.4	Very high	95.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	113.8	176.8	-59.4	169	0	0	0	108.5	P63 G64 F65 W67 E74 V264 R361	P63-I261 HydrophobicContact CB-CG2 4.12Å; P63-I261 WeakPolarHBondContact CB-O 3.34Å; G64-I261 PolarHBondContact N-O 3.48Å; F65-I261 PolarHBondContact O-N 3.35Å; W67-I261 HydrophobicContact CB-CD1 4.31Å; W67-I261 HydrophobicContact CB-CG1 3.92Å; W67-I261 HydrophobicContact CD2-CD1 4.43Å; W67-I261 HydrophobicContact CE3-CD1 3.86Å; W67-I261 HydrophobicContact CG-CG1 4.43Å; E74-I261 HydrophobicContact CG-CD1 3.75Å; I261-V264 HydrophobicContact CG2-CG1 3.35Å; I261-R361 HydrophobicContact CG2-CB 4.41Å
262	N	94.8	Very high	95.3	Very high	41 Å²	41	15.7 Å²	15.7	22%	0.219	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-32.3	179.7	-71.8	2.8	0	0	0	112.1	Q180 L181 C260 S362 Q364	Q180-N262 CarbonylContact C-O 3.57Å; Q180-N262 WeakPolarHBondContact CA-O 3.24Å; L181-N262 PolarHBondContact N-O 3.16Å; C260-N262 PolarHBondContact O-N 3.21Å; C260-N262 PolarHBondContact O-OD1 3.09Å; N262-S362 PolarHBondContact N-O 3.31Å; N262-Q364 PolarHBondContact ND2-NE2 3.37Å; N262-Q364 PolarHBondContact ND2-OE1 3.16Å
263	S	96.8	Very high	95.2	Very high	17 Å²	17	16.4 Å²	16.4	12%	0.119	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.7	176.6	60.3	0	0	0	0	112.4	I179 S362	I179-S263 CarbonylContact O-C 3.56Å; I179-S263 WeakPolarHBondContact O-CA 3.33Å; I179-S263 WeakPolarHBondContact O-CB 3.26Å; S263-S362 PolarHBondContact N-O 2.98Å; S263-S362 PolarHBondContact O-N 2.94Å; S263-S362 WeakPolarHBondContact OG-CB 3.31Å
264	V	97.1	Very high	95.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.9	-177.2	-60.3	0	0	0	0	110.2	V61 P63 I179 I261 A358 D360 R361	V61-V264 HydrophobicContact CG1-CB 4.3Å; V61-V264 HydrophobicContact CG1-CG2 3.79Å; P63-V264 HydrophobicContact CB-CG1 4.42Å; I179-V264 HydrophobicContact CB-CG2 3.68Å; I179-V264 HydrophobicContact CD1-CG2 3.92Å; I179-V264 HydrophobicContact CG1-CG2 4.37Å; I179-V264 HydrophobicContact CG2-CG2 4.32Å; I179-V264 PolarHBondContact N-O 2.91Å; I179-V264 PolarHBondContact O-N 2.8Å; I261-V264 HydrophobicContact CG2-CG1 3.35Å; V264-A358 HydrophobicContact CB-CB 4.4Å; V264-D360 WeakPolarHBondContact CA-O 3.48Å; V264-R361 HydrophobicContact CG1-CG 4.1Å
265	Y	95.6	Very high	95.1	Very high	74 Å²	74	11.8 Å²	11.8	29%	0.29	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.1	163.8	-76.8	-84	0	0	0	108.3	I106 N175 Y177 F178 A358 I359 D360	I106-Y265 HydrophobicContact CD1-CD1 3.71Å; I106-Y265 HydrophobicContact CD1-CE1 3.74Å; N175-Y265 HydrophobicContact CB-CD1 4.31Å; Y177-Y265 WeakPolarHBondContact O-CA 3.32Å; F178-Y265 HydrophobicContact CB-CD1 4.32Å; F178-Y265 HydrophobicContact CB-CE1 4.09Å; F178-Y265 AromaticContact CD2-CD1 3.94Å; F178-Y265 HydrophobicContact CD2-CD1 3.94Å; F178-Y265 HydrophobicContact CD2-CD2 4.05Å; F178-Y265 AromaticContact CD2-CE1 3.63Å; F178-Y265 HydrophobicContact CD2-CE1 3.63Å; F178-Y265 AromaticContact CD2-CE2 3.75Å; F178-Y265 HydrophobicContact CD2-CE2 3.75Å; F178-Y265 HydrophobicContact CD2-CG 4.15Å; F178-Y265 AromaticContact CD2-CZ 3.53Å; F178-Y265 HydrophobicContact CE2-CD2 4.3Å; F178-Y265 HydrophobicContact CE2-CE1 4.43Å; F178-Y265 AromaticContact CE2-CE2 3.8Å; F178-Y265 HydrophobicContact CE2-CE2 3.8Å; F178-Y265 AromaticContact CE2-CZ 3.88Å; F178-Y265 HydrophobicContact CG-CE1 4.15Å; Y265-A358 WeakPolarHBondContact O-CA 3.46Å; Y265-I359 WeakPolarHBondContact O-CG1 3.25Å; Y265-I359 PolarHBondContact O-N 3.41Å; Y265-D360 HydrophobicContact CD2-CB 4.19Å; Y265-D360 PolarHBondContact N-O 2.99Å; Y265-D360 PolarHBondContact O-N 2.78Å
266	A	95	Very high	94.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.3	174	0	0	0	0	0	110.4	V61 R176 Y177 I179 L356 V357	V61-A266 HydrophobicContact CB-CB 4.33Å; V61-A266 HydrophobicContact CG1-CB 4.32Å; V61-A266 HydrophobicContact CG2-CB 4.41Å; R176-A266 WeakPolarHBondContact CA-O 3.38Å; R176-A266 WeakPolarHBondContact CB-O 3.28Å; R176-A266 PolarHBondContact N-O 3.16Å; Y177-A266 PolarHBondContact N-O 3Å; Y177-A266 PolarHBondContact O-N 2.91Å; I179-A266 HydrophobicContact CD1-CB 3.91Å; A266-L356 HydrophobicContact CB-CB 4.33Å; A266-V357 VanDerWaalsContact CA-O 3.29Å; A266-V357 WeakPolarHBondContact CA-O 3.4Å
267	G	93.2	Very high	94.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-145.9	-174.9	0	0	0	0	0	112.1	H174 V357	H174-G267 VanDerWaalsContact O-CA 3.32Å; H174-G267 WeakPolarHBondContact O-CA 3.46Å; G267-V357 PolarHBondContact N-O 3.39Å; G267-V357 PolarHBondContact O-N 2.79Å
268	G	91.7	Very high	94.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.5	179.3	0	0	0	0	0	113	H174 Y333	H174-G268 PolarHBondContact N-O 3.04Å; H174-G268 PolarHBondContact O-N 3.3Å; G268-Y333 CarbonylContact C-O 3.51Å; G268-Y333 WeakPolarHBondContact CA-O 3.44Å
269	V	92.6	Very high	94.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.1	175.9	172	0	0	0	0	109.4	L127 M172 R173 A271 T332 Y333 I359	L127-V269 HydrophobicContact CD2-CG1 4.29Å; M172-V269 WeakPolarHBondContact O-CA 3.29Å; R173-V269 HydrophobicContact CB-CG2 4.26Å; R173-V269 HydrophobicContact CG-CG2 4.01Å; V269-A271 HydrophobicContact CG1-CB 4.43Å; V269-T332 CarbonylContact O-C 3.46Å; V269-T332 WeakPolarHBondContact O-CA 3.46Å; V269-Y333 HydrophobicContact CB-CD2 4.36Å; V269-Y333 HydrophobicContact CG1-CD2 4.42Å; V269-Y333 PolarHBondContact N-O 3.37Å; V269-Y333 PolarHBondContact O-N 3.34Å; V269-I359 HydrophobicContact CB-CG2 4.39Å; V269-I359 HydrophobicContact CG2-CB 3.71Å; V269-I359 HydrophobicContact CG2-CD1 4.32Å; V269-I359 HydrophobicContact CG2-CG2 3.75Å
270	L	91.8	Very high	94.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.4	169.9	173.8	71.6	0	0	0	107.2	E171 M172 F299 F303 I330 L331 T332 I338 L345	E171-L270 CarbonylContact C-O 3.55Å; E171-L270 WeakPolarHBondContact CA-O 3.42Å; M172-L270 HydrophobicContact CB-CB 4.33Å; M172-L270 PolarHBondContact N-O 2.97Å; M172-L270 PolarHBondContact O-N 2.89Å; M172-L270 HydrophobicContact SD-CD2 4.46Å; L270-F299 HydrophobicContact CD2-CZ 4.23Å; L270-F299 HydrophobicContact CG-CE2 4.38Å; L270-F299 HydrophobicContact CG-CZ 3.99Å; L270-F303 HydrophobicContact CD1-CE1 3.89Å; L270-F303 HydrophobicContact CD1-CE2 4.4Å; L270-F303 HydrophobicContact CD1-CZ 3.67Å; L270-F303 HydrophobicContact CD2-CD1 3.55Å; L270-F303 HydrophobicContact CD2-CD2 3.84Å; L270-F303 HydrophobicContact CD2-CE1 3.44Å; L270-F303 VanDerWaalsContact CD2-CE1 3.44Å; L270-F303 HydrophobicContact CD2-CE2 3.71Å; L270-F303 HydrophobicContact CD2-CG 3.82Å; L270-F303 HydrophobicContact CD2-CZ 3.54Å; L270-F303 HydrophobicContact CG-CE1 4.18Å; L270-F303 HydrophobicContact CG-CE2 4.18Å; L270-F303 HydrophobicContact CG-CZ 3.92Å; L270-I330 HydrophobicContact CD1-CG2 4.15Å; L270-L331 CarbonylContact C-O 3.57Å; L270-L331 WeakPolarHBondContact CA-O 3.47Å; L270-T332 HydrophobicContact CD1-CG2 3.52Å; L270-I338 HydrophobicContact CD1-CD1 4Å; L270-L345 HydrophobicContact CD2-CD1 4.22Å
271	A	93.8	Very high	93.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.1	-176.3	0	0	0	0	0	112.1	L127 S170 E171 V269 I330 L331	L127-A271 HydrophobicContact CD1-CB 3.7Å; L127-A271 HydrophobicContact CD2-CB 3.62Å; L127-A271 HydrophobicContact CG-CB 4.36Å; S170-A271 CarbonylContact O-C 3.25Å; S170-A271 WeakPolarHBondContact O-CA 3.29Å; S170-A271 WeakPolarHBondContact O-CB 3.48Å; E171-A271 HydrophobicContact CB-CB 4.13Å; V269-A271 HydrophobicContact CG1-CB 4.43Å; A271-I330 CarbonylContact O-C 3.39Å; A271-I330 WeakPolarHBondContact O-CA 3.43Å; A271-L331 HydrophobicContact CB-CB 4.43Å; A271-L331 PolarHBondContact N-O 2.97Å; A271-L331 PolarHBondContact O-N 2.78Å
272	K	94.2	Very high	93.6	Very high	15 Å²	15	24.7 Å²	24.7	7%	0.065	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.2	172.8	-177.2	177.2	-176.7	-114.5	0	108.7	S170 D274 F299 L302 S328 Q329 I330	S170-K272 PolarHBondContact N-O 2.96Å; S170-K272 PolarHBondContact O-N 3.26Å; K272-D274 WeakPolarHBondContact CE-OD1 3.46Å; K272-D274 VanDerWaalsContact NZ-CG 3.28Å; K272-D274 IonicContact NZ-OD1 3.48Å; K272-D274 PolarHBondContact NZ-OD1 3.47Å; K272-D274 VanDerWaalsContact NZ-OD1 3.07Å; K272-D274 IonicContact NZ-OD2 3.61Å; K272-D274 PolarHBondContact NZ-OD2 3.21Å; K272-F299 HydrophobicContact CB-CD2 3.46Å; K272-F299 VanDerWaalsContact CB-CD2 3.46Å; K272-F299 HydrophobicContact CB-CE2 3.64Å; K272-F299 HydrophobicContact CB-CG 4.38Å; K272-F299 HydrophobicContact CD-CD2 3.95Å; K272-F299 HydrophobicContact CG-CD2 4.36Å; K272-L302 HydrophobicContact CD-CD2 4.2Å; K272-S328 VanDerWaalsContact CE-OG 3.31Å; K272-S328 WeakPolarHBondContact CE-OG 3.18Å; K272-Q329 CarbonylContact C-O 3.54Å; K272-Q329 VanDerWaalsContact CA-O 3.29Å; K272-Q329 WeakPolarHBondContact CA-O 3.44Å; K272-I330 HydrophobicContact CG-CG1 4.45Å
273	I	95	Very high	93.4	Very high	15 Å²	15	24.4 Å²	24.4	8%	0.077	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.5	175.3	-58.2	177.3	0	0	0	107.5	L156 I167 I168 Q169 S328 Q329 L331	L156-I273 HydrophobicContact CD1-CG2 4.09Å; L156-I273 HydrophobicContact CD2-CG2 4.16Å; I167-I273 HydrophobicContact CG2-CG2 3.83Å; I168-I273 CarbonylContact O-C 3.53Å; I168-I273 WeakPolarHBondContact O-CA 3.48Å; Q169-I273 HydrophobicContact CG-CG1 4.36Å; I273-S328 CarbonylContact O-C 3.57Å; I273-S328 WeakPolarHBondContact O-CA 3.47Å; I273-Q329 PolarHBondContact N-O 3.32Å; I273-Q329 PolarHBondContact O-N 2.86Å; I273-L331 HydrophobicContact CD1-CD1 3.76Å; I273-L331 HydrophobicContact CG1-CD1 4.43Å
274	D	95.7	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.6	174.9	-65.5	-29.3	0	0	0	109.8	I167 I168 K272 Y321 I325 Y327 S328	I167-D274 CarbonylContact C-O 3.53Å; I167-D274 WeakPolarHBondContact CA-O 3.4Å; I168-D274 PolarHBondContact N-O 2.81Å; I168-D274 PolarHBondContact O-N 3.41Å; K272-D274 WeakPolarHBondContact CE-OD1 3.46Å; K272-D274 VanDerWaalsContact NZ-CG 3.28Å; K272-D274 IonicContact NZ-OD1 3.48Å; K272-D274 PolarHBondContact NZ-OD1 3.47Å; K272-D274 VanDerWaalsContact NZ-OD1 3.07Å; K272-D274 IonicContact NZ-OD2 3.61Å; K272-D274 PolarHBondContact NZ-OD2 3.21Å; D274-Y321 WeakPolarHBondContact CB-OH 3.36Å; D274-Y321 PolarHBondContact OD2-OH 3.28Å; D274-I325 HydrophobicContact CB-CD1 4.42Å; D274-I325 HydrophobicContact CB-CG1 4.43Å; D274-I325 HydrophobicContact CB-CG2 4.36Å; D274-Y327 CarbonylContact C-O 3.47Å; D274-Y327 WeakPolarHBondContact CA-O 3.33Å; D274-S328 VanDerWaalsContact OD1-CB 3.29Å; D274-S328 WeakPolarHBondContact OD1-CB 3.4Å; D274-S328 PolarHBondContact OD1-OG 3.28Å
275	T	94.8	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.1	168.2	-55	0	0	0	0	108.6	L160 I167 T326 Y327	L160-T275 HydrophobicContact CD1-CG2 4.23Å; L160-T275 WeakPolarHBondContact CD1-OG1 3.19Å; L160-T275 HydrophobicContact CD2-CG2 4.03Å; L160-T275 WeakPolarHBondContact CD2-OG1 3.3Å; I167-T275 HydrophobicContact CG1-CG2 4.48Å; T275-T326 PolarHBondContact O-N 2.88Å; T275-T326 PolarHBondContact O-OG1 3.37Å; T275-T326 VanDerWaalsContact O-OG1 3.08Å; T275-Y327 PolarHBondContact N-O 2.93Å; T275-Y327 PolarHBondContact O-N 3.46Å
276	L	95	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	172.9	179.4	-57.8	-169.3	0	0	0	111.6	G165 L166 I168 S280 L291 Y321 K324 I325 T326	G165-L276 WeakPolarHBondContact CA-O 3.33Å; L166-L276 HydrophobicContact CB-CD1 4.49Å; L166-L276 PolarHBondContact O-N 3.44Å; I168-L276 HydrophobicContact CD1-CD1 4.05Å; I168-L276 HydrophobicContact CD1-CG 4.49Å; L276-S280 WeakPolarHBondContact CB-OG 3.13Å; L276-L291 HydrophobicContact CD1-CD1 4.07Å; L276-L291 HydrophobicContact CD1-CD2 4.23Å; L276-Y321 HydrophobicContact CD1-CE2 4.27Å; L276-Y321 HydrophobicContact CD2-CD2 4.26Å; L276-Y321 HydrophobicContact CD2-CE2 3.72Å; L276-K324 CarbonylContact C-O 3.54Å; L276-K324 VanDerWaalsContact CA-O 3.24Å; L276-K324 WeakPolarHBondContact CA-O 3.33Å; L276-K324 HydrophobicContact CD2-CB 4.25Å; L276-I325 HydrophobicContact CD2-CG1 3.85Å; L276-T326 PolarHBondContact O-OG1 3.25Å
277	D	93.3	Very high	92.3	Very high	37 Å²	37	45.4 Å²	45.4	20%	0.198	23%	0.227	C	C	.	.			trans	-65.6	167	174.1	66.3	21.1	0	0	0	112.7	G165 N279 S280 K324 T326	G165-D277 WeakPolarHBondContact CA-O 3.32Å; D277-N279 PolarHBondContact O-N 2.96Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 3.3Å; D277-S280 VanDerWaalsContact O-CB 3.27Å; D277-S280 WeakPolarHBondContact O-CB 3.49Å; D277-S280 PolarHBondContact O-N 3.4Å; D277-S280 VanDerWaalsContact O-N 3.13Å; D277-S280 PolarHBondContact O-OG 2.94Å; D277-S280 PolarHBondContact OD1-N 2.94Å; D277-K324 PolarHBondContact N-O 3.21Å; D277-T326 HydrophobicContact CB-CG2 3.95Å
278	T	90.6	Very high	92.2	Very high	79 Å²	79	46.8 Å²	46.8	49%	0.485	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.6	-31.2	179	52.9	0	0	0	0	112.5	L164 S280 L281	L164-T278 HydrophobicContact CB-CG2 4.14Å; L164-T278 WeakPolarHBondContact O-CA 3.46Å; L164-T278 WeakPolarHBondContact O-CG2 3.1Å; L164-T278 PolarHBondContact O-N 2.8Å; T278-S280 PolarHBondContact O-N 2.82Å; T278-L281 WeakPolarHBondContact O-CB 3.09Å; T278-L281 PolarHBondContact O-N 2.91Å
279	N	91.6	Very high	92	Very high	108 Å²	108	54.7 Å²	54.7	58%	0.578	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63.8	-28.6	179	-66.1	-36.2	0	0	0	112.1	D277 L281 N282	D277-N279 PolarHBondContact O-N 2.96Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 3.3Å; N279-L281 PolarHBondContact O-N 2.75Å; N279-N282 WeakPolarHBondContact O-CB 3.31Å; N279-N282 PolarHBondContact O-N 2.76Å; N279-N282 VanDerWaalsContact O-N 3.11Å
280	S	93	Very high	91.9	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.007	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.1	176.2	71.5	0	0	0	0	113.3	L166 L276 D277 T278 N282 T283	L166-S280 WeakPolarHBondContact CD1-O 3.43Å; L166-S280 PolarHBondContact N-OG 3.02Å; L276-S280 WeakPolarHBondContact CB-OG 3.13Å; D277-S280 VanDerWaalsContact O-CB 3.27Å; D277-S280 WeakPolarHBondContact O-CB 3.49Å; D277-S280 PolarHBondContact O-N 3.4Å; D277-S280 VanDerWaalsContact O-N 3.13Å; D277-S280 PolarHBondContact O-OG 2.94Å; D277-S280 PolarHBondContact OD1-N 2.94Å; T278-S280 PolarHBondContact O-N 2.82Å; S280-N282 PolarHBondContact O-N 3.15Å; S280-T283 WeakPolarHBondContact O-CB 3.33Å; S280-T283 PolarHBondContact O-N 2.95Å; S280-T283 PolarHBondContact O-OG1 2.85Å
281	L	89.1	Confident	91.9	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.063	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26.4	178.4	-67.1	171.5	0	0	0	113.1	L164 L166 T278 N279 T283 P409 L410	L164-L281 HydrophobicContact CB-CD1 3.87Å; L166-L281 HydrophobicContact CD2-CD2 4Å; L166-L281 HydrophobicContact CG-CD2 4.37Å; T278-L281 WeakPolarHBondContact O-CB 3.09Å; T278-L281 PolarHBondContact O-N 2.91Å; N279-L281 PolarHBondContact O-N 2.75Å; L281-T283 PolarHBondContact O-N 3.18Å; L281-P409 HydrophobicContact CD1-CB 4.08Å; L281-L410 HydrophobicContact CB-CD1 4.19Å; L281-L410 HydrophobicContact CB-CD2 4.04Å; L281-L410 HydrophobicContact CB-CG 4.25Å; L281-L410 HydrophobicContact CD1-CD2 3.95Å; L281-L410 HydrophobicContact CD1-CG 4.38Å
282	N	90.1	Very high	91.8	Very high	118 Å²	118	60.5 Å²	60.5	63%	0.631	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-76	-6.6	176.1	-64.3	-40	0	0	0	113	N279 S280 K284	N279-N282 WeakPolarHBondContact O-CB 3.31Å; N279-N282 PolarHBondContact O-N 2.76Å; N279-N282 VanDerWaalsContact O-N 3.11Å; S280-N282 PolarHBondContact O-N 3.15Å; N282-K284 PolarHBondContact O-N 2.8Å
283	T	91.3	Very high	91.6	Very high	34 Å²	34	61.2 Å²	61.2	21%	0.209	30%	0.299	C	S	.	.	S	Bend	trans	-68.4	121.9	175.7	-48.9	0	0	0	0	109.3	S280 L281 D287 R288 L291	S280-T283 WeakPolarHBondContact O-CB 3.33Å; S280-T283 PolarHBondContact O-N 2.95Å; S280-T283 PolarHBondContact O-OG1 2.85Å; L281-T283 PolarHBondContact O-N 3.18Å; T283-D287 HydrophobicContact CG2-CB 3.96Å; T283-R288 HydrophobicContact CG2-CG 4.04Å; T283-R288 PolarHBondContact O-NE 3.05Å; T283-L291 HydrophobicContact CG2-CD1 4.24Å
284	K	91.5	Very high	91.5	Very high	146 Å²	146	61 Å²	61	64%	0.635	30%	0.299	S	S	*	.			trans	-54.2	141.9	177.4	-64.1	-178.3	178.9	-179.8	0	110.1	N282 E286 D287 R288	N282-K284 PolarHBondContact O-N 2.8Å; K284-E286 PolarHBondContact O-N 3.19Å; K284-E286 VanDerWaalsContact O-N 3.15Å; K284-D287 HydrophobicContact CB-CB 4.5Å; K284-D287 PolarHBondContact O-N 2.95Å; K284-R288 WeakPolarHBondContact O-CG 3.39Å; K284-R288 PolarHBondContact O-N 3.03Å
285	K	88.6	Confident	91.4	Very high	152 Å²	152	61 Å²	61	66%	0.661	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-52.8	-39.4	-179.6	-70.5	-175.2	175.4	-177.9	0	112.2	E119 D287 R288	E119-K285 WeakPolarHBondContact OE1-CE 3.33Å; E119-K285 IonicContact OE1-NZ 3.07Å; K285-D287 VanDerWaalsContact C-N 3.28Å; K285-D287 PolarHBondContact O-N 2.88Å; K285-R288 PolarHBondContact O-N 2.78Å
286	E	90.2	Very high	91.2	Very high	164 Å²	164	62.2 Å²	62.2	77%	0.766	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.9	-26.1	177	-66.7	165.9	-148.1	0	0	114	K284	K284-E286 PolarHBondContact O-N 3.19Å; K284-E286 VanDerWaalsContact O-N 3.15Å
287	D	91.2	Very high	90.9	Very high	71 Å²	71	63.2 Å²	63.2	38%	0.38	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-94.1	-9.7	-177.6	-63.4	-35.1	0	0	0	112.6	T283 K284 K285 W289 H290	T283-D287 HydrophobicContact CG2-CB 3.96Å; K284-D287 HydrophobicContact CB-CB 4.5Å; K284-D287 PolarHBondContact O-N 2.95Å; K285-D287 VanDerWaalsContact C-N 3.28Å; K285-D287 PolarHBondContact O-N 2.88Å; D287-W289 PolarHBondContact O-N 2.04Å; D287-H290 WeakPolarHBondContact O-CB 3.48Å; D287-H290 PolarHBondContact O-CD2 2.75Å; D287-H290 PolarHBondContact O-N 3.01Å
288	R	91.2	Very high	90.8	Very high	30 Å²	30	61.8 Å²	61.8	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-20	-174.2	-69.4	-179	-173.2	170.1	-0.1	113.8	V117 E119 L166 T283 K284 K285 H290 L291 G292	V117-R288 HydrophobicContact CG1-CB 4.36Å; E119-R288 VanDerWaalsContact CD-NH1 3.33Å; E119-R288 IonicContact OE1-CZ 3.66Å; E119-R288 IonicContact OE1-NH1 3.2Å; E119-R288 PolarHBondContact OE1-NH1 2.56Å; E119-R288 IonicContact OE1-NH2 2.68Å; E119-R288 PolarHBondContact OE1-NH2 2.88Å; L166-R288 HydrophobicContact CD1-CG 4.07Å; T283-R288 HydrophobicContact CG2-CG 4.04Å; T283-R288 PolarHBondContact O-NE 3.05Å; K284-R288 WeakPolarHBondContact O-CG 3.39Å; K284-R288 PolarHBondContact O-N 3.03Å; K285-R288 PolarHBondContact O-N 2.78Å; R288-H290 PolarHBondContact O-N 2.89Å; R288-L291 WeakPolarHBondContact O-CB 3.47Å; R288-L291 PolarHBondContact O-N 3.1Å; R288-L291 VanDerWaalsContact O-N 3.09Å; R288-G292 PolarHBondContact O-N 3.26Å
289	W	88.4	Confident	90.8	Very high	166 Å²	166	58.1 Å²	58.1	63%	0.629	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-29.4	175.4	75.5	-93.8	0	0	0	112.1	D287 L291 G292 A293	D287-W289 PolarHBondContact O-N 2.04Å; W289-L291 VanDerWaalsContact C-N 3.31Å; W289-L291 PolarHBondContact O-N 3.1Å; W289-G292 PolarHBondContact O-N 3.33Å; W289-A293 HydrophobicContact CE3-CB 4.45Å; W289-A293 WeakPolarHBondContact O-CB 3.29Å; W289-A293 PolarHBondContact O-N 3.1Å
290	H	89.5	Confident	90.6	Very high	96 Å²	96	53 Å²	53	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-37.3	174.5	-68.7	-67.9	0	0	0	112.3	D287 R288 S294	D287-H290 WeakPolarHBondContact O-CB 3.48Å; D287-H290 PolarHBondContact O-CD2 2.75Å; D287-H290 PolarHBondContact O-N 3.01Å; R288-H290 PolarHBondContact O-N 2.89Å; H290-S294 WeakPolarHBondContact O-CB 3.43Å; H290-S294 PolarHBondContact O-N 2.83Å; H290-S294 PolarHBondContact O-OG 2.87Å
291	L	92.7	Very high	90.3	Very high	20 Å²	20	57 Å²	57	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-44.5	174.3	-61.9	173.1	0	0	0	110.4	L166 I168 L276 T283 R288 W289 A293 S294 A295 Y321	L166-L291 HydrophobicContact CD1-CD1 3.77Å; I168-L291 HydrophobicContact CD1-CB 3.82Å; L276-L291 HydrophobicContact CD1-CD1 4.07Å; L276-L291 HydrophobicContact CD1-CD2 4.23Å; T283-L291 HydrophobicContact CG2-CD1 4.24Å; R288-L291 WeakPolarHBondContact O-CB 3.47Å; R288-L291 PolarHBondContact O-N 3.1Å; R288-L291 VanDerWaalsContact O-N 3.09Å; W289-L291 VanDerWaalsContact C-N 3.31Å; W289-L291 PolarHBondContact O-N 3.1Å; L291-A293 PolarHBondContact O-N 3.35Å; L291-S294 PolarHBondContact O-N 2.81Å; L291-A295 WeakPolarHBondContact O-CB 3.32Å; L291-A295 PolarHBondContact O-N 3.3Å; L291-Y321 HydrophobicContact CD2-CD2 4.42Å
292	G	92	Very high	90.1	Very high	6 Å²	6	59.7 Å²	59.7	6%	0.062	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-39.9	175.4	0	0	0	0	0	113.3	S115 R288 W289 T296	S115-G292 VanDerWaalsContact CB-O 3.3Å; S115-G292 WeakPolarHBondContact CB-O 3.25Å; S115-G292 PolarHBondContact OG-O 2.87Å; R288-G292 PolarHBondContact O-N 3.26Å; W289-G292 PolarHBondContact O-N 3.33Å; G292-T296 WeakPolarHBondContact O-CB 3.43Å; G292-T296 PolarHBondContact O-N 3.35Å; G292-T296 PolarHBondContact O-OG1 3.08Å
293	A	89.2	Confident	89.6	Confident	30 Å²	30	54.4 Å²	54.4	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-45.1	174.6	0	0	0	0	0	111.8	W289 L291 A295 T296 I297	W289-A293 HydrophobicContact CE3-CB 4.45Å; W289-A293 WeakPolarHBondContact O-CB 3.29Å; W289-A293 PolarHBondContact O-N 3.1Å; L291-A293 PolarHBondContact O-N 3.35Å; A293-A295 PolarHBondContact O-N 3.26Å; A293-T296 WeakPolarHBondContact O-CB 3.44Å; A293-T296 PolarHBondContact O-N 3.3Å; A293-I297 WeakPolarHBondContact O-CG1 3.14Å; A293-I297 PolarHBondContact O-N 3.05Å; A293-I297 VanDerWaalsContact O-N 3.14Å
294	S	92.1	Very high	89.1	Confident	10 Å²	10	59.1 Å²	59.1	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-41.9	178	-55.3	0	0	0	0	111.9	H290 L291 I297 S298	H290-S294 WeakPolarHBondContact O-CB 3.43Å; H290-S294 PolarHBondContact O-N 2.83Å; H290-S294 PolarHBondContact O-OG 2.87Å; L291-S294 PolarHBondContact O-N 2.81Å; S294-I297 PolarHBondContact O-N 2.9Å; S294-S298 WeakPolarHBondContact O-CB 3.47Å; S294-S298 PolarHBondContact O-N 2.86Å
295	A	93.9	Very high	88.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-41.7	175.6	0	0	0	0	0	112.6	I168 L291 A293 I297 S298 F299 Y321	I168-A295 HydrophobicContact CB-CB 4.46Å; I168-A295 HydrophobicContact CD1-CB 4.23Å; I168-A295 HydrophobicContact CG2-CB 3.52Å; L291-A295 WeakPolarHBondContact O-CB 3.32Å; L291-A295 PolarHBondContact O-N 3.3Å; A293-A295 PolarHBondContact O-N 3.26Å; A295-I297 VanDerWaalsContact C-N 3.32Å; A295-I297 PolarHBondContact O-N 3.35Å; A295-S298 PolarHBondContact O-N 2.77Å; A295-F299 VanDerWaalsContact O-CB 3.22Å; A295-F299 WeakPolarHBondContact O-CB 3.38Å; A295-F299 PolarHBondContact O-N 3.28Å; A295-Y321 HydrophobicContact CB-CE1 3.99Å; A295-Y321 HydrophobicContact CB-CE2 4.05Å; A295-Y321 WeakPolarHBondContact CB-OH 3.48Å
296	T	91.5	Very high	87.6	Confident	26 Å²	26	56.5 Å²	56.5	16%	0.16	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-45.3	176.3	-60.8	0	0	0	0	111	L113 S115 G292 A293 A300	L113-T296 HydrophobicContact CB-CG2 4.48Å; L113-T296 HydrophobicContact CD2-CG2 3.42Å; L113-T296 VanDerWaalsContact CD2-CG2 3.42Å; L113-T296 HydrophobicContact CG-CG2 3.77Å; S115-T296 VanDerWaalsContact CB-OG1 3.27Å; S115-T296 WeakPolarHBondContact CB-OG1 3Å; S115-T296 WeakPolarHBondContact OG-CA 3.34Å; S115-T296 PolarHBondContact OG-N 3.34Å; S115-T296 PolarHBondContact OG-OG1 3.14Å; G292-T296 WeakPolarHBondContact O-CB 3.43Å; G292-T296 PolarHBondContact O-N 3.35Å; G292-T296 PolarHBondContact O-OG1 3.08Å; A293-T296 WeakPolarHBondContact O-CB 3.44Å; A293-T296 PolarHBondContact O-N 3.3Å; T296-A300 WeakPolarHBondContact O-CB 3.22Å; T296-A300 PolarHBondContact O-N 2.85Å
297	I	88.4	Confident	86.5	Confident	22 Å²	22	52.6 Å²	52.6	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-45.5	179.5	-61.4	167.5	0	0	0	111	A293 S294 A295 F299 A300 N301 L307 A311 V313 I318	A293-I297 WeakPolarHBondContact O-CG1 3.14Å; A293-I297 PolarHBondContact O-N 3.05Å; A293-I297 VanDerWaalsContact O-N 3.14Å; S294-I297 PolarHBondContact O-N 2.9Å; A295-I297 VanDerWaalsContact C-N 3.32Å; A295-I297 PolarHBondContact O-N 3.35Å; I297-F299 VanDerWaalsContact C-N 3.27Å; I297-F299 PolarHBondContact O-N 3.3Å; I297-A300 PolarHBondContact O-N 3.08Å; I297-N301 WeakPolarHBondContact O-CB 3.26Å; I297-N301 VanDerWaalsContact O-CG 3.25Å; I297-N301 PolarHBondContact O-N 3.45Å; I297-L307 HydrophobicContact CG1-CD1 4.21Å; I297-A311 HydrophobicContact CD1-CB 3.9Å; I297-V313 HydrophobicContact CD1-CB 3.57Å; I297-V313 HydrophobicContact CD1-CG1 4.17Å; I297-V313 HydrophobicContact CD1-CG2 3.54Å; I297-I318 HydrophobicContact CB-CD1 4.33Å; I297-I318 HydrophobicContact CG2-CD1 3.56Å; I297-I318 HydrophobicContact CG2-CG1 4.44Å
298	S	90.6	Very high	84.9	Confident	7 Å²	7	53.2 Å²	53.2	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-42.7	175.3	178.4	0	0	0	0	111.2	S294 A295 N301 L302 E322	S294-S298 WeakPolarHBondContact O-CB 3.47Å; S294-S298 PolarHBondContact O-N 2.86Å; A295-S298 PolarHBondContact O-N 2.77Å; S298-N301 PolarHBondContact O-N 3.16Å; S298-L302 PolarHBondContact O-N 2.97Å; S298-L302 VanDerWaalsContact O-N 3.11Å; S298-E322 PolarHBondContact OG-OE1 2.66Å
299	F	90.8	Very high	83	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-42.8	175.8	-179.3	-120.6	0	0	0	112.5	L113 M172 L270 K272 A295 I297 N301 L302 F303	L113-F299 HydrophobicContact CD1-CD1 3.38Å; L113-F299 HydrophobicContact CD1-CE1 3.49Å; L113-F299 VanDerWaalsContact CD1-CE1 3.49Å; L113-F299 HydrophobicContact CG-CD1 4.39Å; M172-F299 HydrophobicContact CB-CE1 3.92Å; M172-F299 HydrophobicContact CB-CZ 4.24Å; L270-F299 HydrophobicContact CD2-CZ 4.23Å; L270-F299 HydrophobicContact CG-CE2 4.38Å; L270-F299 HydrophobicContact CG-CZ 3.99Å; K272-F299 HydrophobicContact CB-CD2 3.46Å; K272-F299 VanDerWaalsContact CB-CD2 3.46Å; K272-F299 HydrophobicContact CB-CE2 3.64Å; K272-F299 HydrophobicContact CB-CG 4.38Å; K272-F299 HydrophobicContact CD-CD2 3.95Å; K272-F299 HydrophobicContact CG-CD2 4.36Å; A295-F299 VanDerWaalsContact O-CB 3.22Å; A295-F299 WeakPolarHBondContact O-CB 3.38Å; A295-F299 PolarHBondContact O-N 3.28Å; I297-F299 VanDerWaalsContact C-N 3.27Å; I297-F299 PolarHBondContact O-N 3.3Å; F299-N301 PolarHBondContact O-N 3.29Å; F299-L302 WeakPolarHBondContact O-CB 3.23Å; F299-L302 PolarHBondContact O-N 3.28Å; F299-F303 HydrophobicContact CD2-CD2 4.12Å; F299-F303 AromaticContact CD2-CE2 3.78Å; F299-F303 HydrophobicContact CD2-CE2 3.78Å; F299-F303 AromaticContact CE2-CD2 3.88Å; F299-F303 HydrophobicContact CE2-CD2 3.88Å; F299-F303 AromaticContact CE2-CE2 3.35Å; F299-F303 HydrophobicContact CE2-CE2 3.35Å; F299-F303 HydrophobicContact CE2-CZ 4.34Å; F299-F303 HydrophobicContact CZ-CD2 4.31Å; F299-F303 HydrophobicContact CZ-CE2 4.07Å; F299-F303 WeakPolarHBondContact O-CD2 3.44Å
300	A	87.6	Confident	80.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-43	174.8	0	0	0	0	0	112.6	L113 T296 I297 L302 F303 N304 V305 L307	L113-A300 HydrophobicContact CD2-CB 3.78Å; T296-A300 WeakPolarHBondContact O-CB 3.22Å; T296-A300 PolarHBondContact O-N 2.85Å; I297-A300 PolarHBondContact O-N 3.08Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 PolarHBondContact O-N 2.71Å; A300-F303 CarbonylContact O-C 3.52Å; A300-F303 PolarHBondContact O-N 3.19Å; A300-F303 VanDerWaalsContact O-N 3.14Å; A300-N304 PolarHBondContact O-N 3.18Å; A300-V305 HydrophobicContact CB-CB 4.35Å; A300-V305 PolarHBondContact O-N 3.41Å; A300-L307 HydrophobicContact CB-CD1 3.57Å; A300-L307 HydrophobicContact CB-CD2 4.38Å; A300-L307 HydrophobicContact CB-CG 3.8Å
301	N	85.9	Confident	78.6	Confident	86 Å²	86	50.1 Å²	50.1	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-39.2	178.3	-73.2	-11.1	0	0	0	111.4	I297 S298 F299 F303 N304	I297-N301 WeakPolarHBondContact O-CB 3.26Å; I297-N301 VanDerWaalsContact O-CG 3.25Å; I297-N301 PolarHBondContact O-N 3.45Å; S298-N301 PolarHBondContact O-N 3.16Å; F299-N301 PolarHBondContact O-N 3.29Å; N301-F303 PolarHBondContact O-N 2.98Å; N301-N304 PolarHBondContact O-N 3.21Å; N301-N304 VanDerWaalsContact O-N 3.12Å
302	L	84.8	Confident	76.6	Confident	67 Å²	67	55.7 Å²	55.7	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-58.6	-31.2	177	-175.9	62.6	0	0	0	113.3	K272 S298 F299 A300 I330 M340	K272-L302 HydrophobicContact CD-CD2 4.2Å; S298-L302 PolarHBondContact O-N 2.97Å; S298-L302 VanDerWaalsContact O-N 3.11Å; F299-L302 WeakPolarHBondContact O-CB 3.23Å; F299-L302 PolarHBondContact O-N 3.28Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 PolarHBondContact O-N 2.71Å; L302-I330 HydrophobicContact CD2-CD1 3.7Å; L302-I330 HydrophobicContact CD2-CG1 4.45Å; L302-M340 HydrophobicContact CD1-CE 4.16Å; L302-M340 HydrophobicContact CD2-CE 4.31Å; L302-M340 HydrophobicContact CG-CE 4.32Å
303	F	81.3	Confident	75	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	13.7	179.7	-66	-81.9	0	0	0	113.3	L270 F299 A300 N301 V305 I330 V343	L270-F303 HydrophobicContact CD1-CE1 3.89Å; L270-F303 HydrophobicContact CD1-CE2 4.4Å; L270-F303 HydrophobicContact CD1-CZ 3.67Å; L270-F303 HydrophobicContact CD2-CD1 3.55Å; L270-F303 HydrophobicContact CD2-CD2 3.84Å; L270-F303 HydrophobicContact CD2-CE1 3.44Å; L270-F303 VanDerWaalsContact CD2-CE1 3.44Å; L270-F303 HydrophobicContact CD2-CE2 3.71Å; L270-F303 HydrophobicContact CD2-CG 3.82Å; L270-F303 HydrophobicContact CD2-CZ 3.54Å; L270-F303 HydrophobicContact CG-CE1 4.18Å; L270-F303 HydrophobicContact CG-CE2 4.18Å; L270-F303 HydrophobicContact CG-CZ 3.92Å; F299-F303 HydrophobicContact CD2-CD2 4.12Å; F299-F303 AromaticContact CD2-CE2 3.78Å; F299-F303 HydrophobicContact CD2-CE2 3.78Å; F299-F303 AromaticContact CE2-CD2 3.88Å; F299-F303 HydrophobicContact CE2-CD2 3.88Å; F299-F303 AromaticContact CE2-CE2 3.35Å; F299-F303 HydrophobicContact CE2-CE2 3.35Å; F299-F303 HydrophobicContact CE2-CZ 4.34Å; F299-F303 HydrophobicContact CZ-CD2 4.31Å; F299-F303 HydrophobicContact CZ-CE2 4.07Å; F299-F303 WeakPolarHBondContact O-CD2 3.44Å; A300-F303 CarbonylContact O-C 3.52Å; A300-F303 PolarHBondContact O-N 3.19Å; A300-F303 VanDerWaalsContact O-N 3.14Å; N301-F303 PolarHBondContact O-N 2.98Å; F303-V305 HydrophobicContact CB-CG2 4.04Å; F303-V305 PolarHBondContact O-N 2.87Å; F303-I330 HydrophobicContact CZ-CG2 4.33Å; F303-V343 HydrophobicContact CD1-CG1 3.24Å; F303-V343 HydrophobicContact CE1-CG1 3.66Å; F303-V343 HydrophobicContact CG-CG1 4.26Å
304	N	79.9	Confident	73.9	Confident	133 Å²	133	60.4 Å²	60.4	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.9	-177.4	-62.6	-46.8	0	0	0	113.9	A300 N301 K306	A300-N304 PolarHBondContact O-N 3.18Å; N301-N304 PolarHBondContact O-N 3.21Å; N301-N304 VanDerWaalsContact O-N 3.12Å; N304-K306 PolarHBondContact O-N 3.43Å
305	V	77.8	Confident	73.2	Confident	41 Å²	41	65.7 Å²	65.7	25%	0.248	40%	0.396	C	S	.	.			trans	-83.9	116.4	178.8	179	0	0	0	0	109.2	M172 A300 F303 L307 L345	M172-V305 HydrophobicContact CE-CG2 3.76Å; A300-V305 HydrophobicContact CB-CB 4.35Å; A300-V305 PolarHBondContact O-N 3.41Å; F303-V305 HydrophobicContact CB-CG2 4.04Å; F303-V305 PolarHBondContact O-N 2.87Å; V305-L307 PolarHBondContact O-N 2.88Å; V305-L345 HydrophobicContact CG2-CD2 3.68Å
306	K	71	Confident	72.7	Confident	202 Å²	202	69 Å²	69	88%	0.878	42%	0.419	S	S	*	.			trans	-75.2	104.3	175	-64.5	-175.9	-179	-178.9	0	109.5	N304 G308	N304-K306 PolarHBondContact O-N 3.43Å; K306-G308 PolarHBondContact O-N 2.78Å
307	L	66.8	Low	72.4	Confident	83 Å²	83	71.6 Å²	71.6	44%	0.435	43%	0.431	S	S	.	.			trans	-71.1	117.1	172	-69.2	172.3	0	0	0	109.6	L113 I297 A300 V305	L113-L307 HydrophobicContact CD2-CD1 4.08Å; L113-L307 HydrophobicContact CD2-CD2 3.74Å; L113-L307 HydrophobicContact CD2-CG 4.4Å; I297-L307 HydrophobicContact CG1-CD1 4.21Å; A300-L307 HydrophobicContact CB-CD1 3.57Å; A300-L307 HydrophobicContact CB-CD2 4.38Å; A300-L307 HydrophobicContact CB-CG 3.8Å; V305-L307 PolarHBondContact O-N 2.88Å
308	G	56.9	Low	72.4	Confident	84 Å²	84	71 Å²	71	87%	0.866	43%	0.429	S	S	*	.	S	Bend	trans	-73.2	126.2	174	0	0	0	0	0	110.6	K306	K306-G308 PolarHBondContact O-N 2.78Å
309	G	52.4	Low	72.4	Confident	64 Å²	64	76.9 Å²	76.9	66%	0.66	46%	0.455	S	S	*	.	S	Bend	trans	108.1	127.3	-178.3	0	0	0	0	0	111.7	A311	G309-A311 VanDerWaalsContact C-N 3.26Å; G309-A311 PolarHBondContact O-N 2.83Å
310	S	37.6	Very low	72.4	Confident	100 Å²	100	80.5 Å²	80.5	70%	0.699	48%	0.475	S	S	*	.			trans	-66.8	81.9	176.9	63.2	0	0	0	0	110.6	N312	S310-N312 PolarHBondContact O-N 2.79Å
311	A	48.3	Very low	72.7	Confident	63 Å²	63	80.6 Å²	80.6	52%	0.521	48%	0.475	S	S	.	.			trans	-67.1	90.4	144.2	0	0	0	0	0	104.8	I297 G309 V313	I297-A311 HydrophobicContact CD1-CB 3.9Å; G309-A311 VanDerWaalsContact C-N 3.26Å; G309-A311 PolarHBondContact O-N 2.83Å; A311-V313 HydrophobicContact CB-CG2 4.18Å; A311-V313 PolarHBondContact O-N 3Å
312	N	50.8	Low	73.1	Confident	136 Å²	136	80.7 Å²	80.7	73%	0.727	47%	0.472	S	S	*	.			trans	-65.6	51.2	169.2	-75.8	-20.2	0	0	0	109.6	S310 N314	S310-N312 PolarHBondContact O-N 2.79Å; N312-N314 PolarHBondContact O-N 2.72Å
313	V	56.6	Low	73.6	Confident	32 Å²	32	81.8 Å²	81.8	19%	0.194	49%	0.486	C	S	.	.			trans	-80.6	98.8	167.9	179.8	0	0	0	0	103.8	I297 A311 D315 L317 I318	I297-V313 HydrophobicContact CD1-CB 3.57Å; I297-V313 HydrophobicContact CD1-CG1 4.17Å; I297-V313 HydrophobicContact CD1-CG2 3.54Å; A311-V313 HydrophobicContact CB-CG2 4.18Å; A311-V313 PolarHBondContact O-N 3Å; V313-D315 PolarHBondContact O-N 3.07Å; V313-L317 HydrophobicContact CG1-CB 3.61Å; V313-L317 HydrophobicContact CG1-CD1 3.87Å; V313-L317 HydrophobicContact CG1-CG 4.39Å; V313-I318 HydrophobicContact CG1-CG1 4.05Å
314	N	66.2	Low	74.2	Confident	104 Å²	104	84.1 Å²	84.1	56%	0.556	50%	0.496	S	S	*	.			trans	-45.3	141.3	178.2	-70	-12.8	0	0	0	110.3	N312 S316 L317 I318	N312-N314 PolarHBondContact O-N 2.72Å; N314-S316 WeakPolarHBondContact CB-OG 3.26Å; N314-S316 PolarHBondContact O-N 2.92Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.41Å; N314-I318 PolarHBondContact O-N 2.91Å
315	D	79.2	Confident	75	Confident	121 Å²	121	79.9 Å²	79.9	65%	0.647	47%	0.473	S	S	*	.	H	α-helix	trans	-49.9	-30.3	174.4	-69.1	-32.5	0	0	0	111.8	V313 L317 I318 Q319	V313-D315 PolarHBondContact O-N 3.07Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.15Å; D315-I318 PolarHBondContact O-N 3.21Å; D315-Q319 WeakPolarHBondContact O-CB 3.26Å; D315-Q319 VanDerWaalsContact O-CG 3.26Å; D315-Q319 WeakPolarHBondContact O-CG 3.41Å; D315-Q319 PolarHBondContact O-N 3.41Å
316	S	83.1	Confident	75.7	Confident	68 Å²	68	80.8 Å²	80.8	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-35.5	173.9	65	0	0	0	0	114.2	N314 N320	N314-S316 WeakPolarHBondContact CB-OG 3.26Å; N314-S316 PolarHBondContact O-N 2.92Å; S316-N320 VanDerWaalsContact O-CB 3.26Å; S316-N320 WeakPolarHBondContact O-CB 3.12Å; S316-N320 PolarHBondContact O-N 2.86Å
317	L	84.6	Confident	76.8	Confident	81 Å²	81	73.1 Å²	73.1	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-72.5	-39.3	177	-71.1	172.2	0	0	0	111.1	V313 N314 D315 N320 Y321	V313-L317 HydrophobicContact CG1-CB 3.61Å; V313-L317 HydrophobicContact CG1-CD1 3.87Å; V313-L317 HydrophobicContact CG1-CG 4.39Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.41Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.15Å; L317-N320 PolarHBondContact O-N 3.46Å; L317-Y321 WeakPolarHBondContact O-CB 3.39Å; L317-Y321 PolarHBondContact O-N 2.79Å
318	I	87.6	Confident	78	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.056	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-46.9	175.2	-58.5	170.6	0	0	0	109.6	I297 V313 N314 D315 N320 Y321 E322	I297-I318 HydrophobicContact CB-CD1 4.33Å; I297-I318 HydrophobicContact CG2-CD1 3.56Å; I297-I318 HydrophobicContact CG2-CG1 4.44Å; V313-I318 HydrophobicContact CG1-CG1 4.05Å; N314-I318 PolarHBondContact O-N 2.91Å; D315-I318 PolarHBondContact O-N 3.21Å; I318-N320 VanDerWaalsContact C-N 3.32Å; I318-N320 PolarHBondContact O-N 2.91Å; I318-Y321 WeakPolarHBondContact O-CB 3.18Å; I318-Y321 PolarHBondContact O-N 3.02Å; I318-Y321 VanDerWaalsContact O-N 3.16Å; I318-E322 HydrophobicContact CG2-CG 4.28Å; I318-E322 WeakPolarHBondContact O-CB 3.3Å; I318-E322 WeakPolarHBondContact O-CG 3.33Å; I318-E322 PolarHBondContact O-N 3.27Å
319	Q	90.5	Very high	79.7	Confident	129 Å²	129	69.9 Å²	69.9	60%	0.603	41%	0.411	S	S	*	.	H	α-helix	trans	-60.5	-40.8	175.7	-73.1	173.4	2.9	0	0	112.2	D315 E322 S323	D315-Q319 WeakPolarHBondContact O-CB 3.26Å; D315-Q319 VanDerWaalsContact O-CG 3.26Å; D315-Q319 WeakPolarHBondContact O-CG 3.41Å; D315-Q319 PolarHBondContact O-N 3.41Å; Q319-E322 PolarHBondContact O-N 3.13Å; Q319-S323 VanDerWaalsContact O-CB 3.28Å; Q319-S323 WeakPolarHBondContact O-CB 3.44Å; Q319-S323 PolarHBondContact O-N 3.08Å; Q319-S323 PolarHBondContact O-OG 3.33Å
320	N	92.1	Very high	81.6	Confident	78 Å²	78	69.6 Å²	69.6	42%	0.417	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-44.4	174.5	-178.1	26.9	0	0	0	111.4	S316 L317 I318 S323 K324	S316-N320 VanDerWaalsContact O-CB 3.26Å; S316-N320 WeakPolarHBondContact O-CB 3.12Å; S316-N320 PolarHBondContact O-N 2.86Å; L317-N320 PolarHBondContact O-N 3.46Å; I318-N320 VanDerWaalsContact C-N 3.32Å; I318-N320 PolarHBondContact O-N 2.91Å; N320-S323 PolarHBondContact O-N 3Å; N320-S323 PolarHBondContact O-OG 3.41Å; N320-K324 WeakPolarHBondContact O-CG 3.42Å; N320-K324 PolarHBondContact O-N 2.95Å; N320-K324 WeakPolarHBondContact OD1-CE 3.41Å
321	Y	93.6	Very high	84.1	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-52.1	173.5	166.6	-104.6	0	0	0	111.8	I168 D274 L276 L291 A295 L317 I318 S323 K324 I325	I168-Y321 HydrophobicContact CD1-CD2 4.48Å; I168-Y321 HydrophobicContact CD1-CE2 3.56Å; D274-Y321 WeakPolarHBondContact CB-OH 3.36Å; D274-Y321 PolarHBondContact OD2-OH 3.28Å; L276-Y321 HydrophobicContact CD1-CE2 4.27Å; L276-Y321 HydrophobicContact CD2-CD2 4.26Å; L276-Y321 HydrophobicContact CD2-CE2 3.72Å; L291-Y321 HydrophobicContact CD2-CD2 4.42Å; A295-Y321 HydrophobicContact CB-CE1 3.99Å; A295-Y321 HydrophobicContact CB-CE2 4.05Å; A295-Y321 WeakPolarHBondContact CB-OH 3.48Å; L317-Y321 WeakPolarHBondContact O-CB 3.39Å; L317-Y321 PolarHBondContact O-N 2.79Å; I318-Y321 WeakPolarHBondContact O-CB 3.18Å; I318-Y321 PolarHBondContact O-N 3.02Å; I318-Y321 VanDerWaalsContact O-N 3.16Å; Y321-S323 VanDerWaalsContact C-N 3.3Å; Y321-S323 PolarHBondContact O-N 3.39Å; Y321-K324 WeakPolarHBondContact O-CB 3.34Å; Y321-K324 PolarHBondContact O-N 3.46Å; Y321-I325 HydrophobicContact CD1-CD1 4.41Å; Y321-I325 HydrophobicContact CE1-CD1 3.79Å; Y321-I325 HydrophobicContact CE1-CG1 4.43Å
322	E	94	Very high	86.2	Confident	87 Å²	87	66.3 Å²	66.3	41%	0.407	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-35.9	-178	-71.9	177.7	169.8	0	0	112.1	S298 I318 Q319 K324 I325	S298-E322 PolarHBondContact OG-OE1 2.66Å; I318-E322 HydrophobicContact CG2-CG 4.28Å; I318-E322 WeakPolarHBondContact O-CB 3.3Å; I318-E322 WeakPolarHBondContact O-CG 3.33Å; I318-E322 PolarHBondContact O-N 3.27Å; Q319-E322 PolarHBondContact O-N 3.13Å; E322-K324 PolarHBondContact O-N 2.91Å; E322-I325 HydrophobicContact CB-CD1 4.5Å; E322-I325 HydrophobicContact CG-CD1 4.38Å; E322-I325 WeakPolarHBondContact O-CB 3.35Å; E322-I325 PolarHBondContact O-N 3.44Å; E322-I325 VanDerWaalsContact O-N 3.15Å
323	S	95	Very high	88.2	Confident	91 Å²	91	62 Å²	62	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-64.1	-21	176	75.4	0	0	0	0	113.9	Q319 N320 Y321	Q319-S323 VanDerWaalsContact O-CB 3.28Å; Q319-S323 WeakPolarHBondContact O-CB 3.44Å; Q319-S323 PolarHBondContact O-N 3.08Å; Q319-S323 PolarHBondContact O-OG 3.33Å; N320-S323 PolarHBondContact O-N 3Å; N320-S323 PolarHBondContact O-OG 3.41Å; Y321-S323 VanDerWaalsContact C-N 3.3Å; Y321-S323 PolarHBondContact O-N 3.39Å
324	K	95.1	Very high	89.9	Confident	55 Å²	55	61.3 Å²	61.3	24%	0.239	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.3	178.1	-66.8	178.2	-179.3	-174.2	0	113.3	L276 D277 N320 Y321 E322 T326	L276-K324 CarbonylContact C-O 3.54Å; L276-K324 VanDerWaalsContact CA-O 3.24Å; L276-K324 WeakPolarHBondContact CA-O 3.33Å; L276-K324 HydrophobicContact CD2-CB 4.25Å; D277-K324 PolarHBondContact N-O 3.21Å; N320-K324 WeakPolarHBondContact O-CG 3.42Å; N320-K324 PolarHBondContact O-N 2.95Å; N320-K324 WeakPolarHBondContact OD1-CE 3.41Å; Y321-K324 WeakPolarHBondContact O-CB 3.34Å; Y321-K324 PolarHBondContact O-N 3.46Å; E322-K324 PolarHBondContact O-N 2.91Å; K324-T326 PolarHBondContact O-N 2.98Å
325	I	95	Very high	91	Very high	45 Å²	45	56.7 Å²	56.7	23%	0.231	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.1	-176.7	-60.3	174.7	0	0	0	109.9	D274 L276 Y321 E322 Y327	D274-I325 HydrophobicContact CB-CD1 4.42Å; D274-I325 HydrophobicContact CB-CG1 4.43Å; D274-I325 HydrophobicContact CB-CG2 4.36Å; L276-I325 HydrophobicContact CD2-CG1 3.85Å; Y321-I325 HydrophobicContact CD1-CD1 4.41Å; Y321-I325 HydrophobicContact CE1-CD1 3.79Å; Y321-I325 HydrophobicContact CE1-CG1 4.43Å; E322-I325 HydrophobicContact CB-CD1 4.5Å; E322-I325 HydrophobicContact CG-CD1 4.38Å; E322-I325 WeakPolarHBondContact O-CB 3.35Å; E322-I325 PolarHBondContact O-N 3.44Å; E322-I325 VanDerWaalsContact O-N 3.15Å; I325-Y327 VanDerWaalsContact CG2-O 3.3Å; I325-Y327 WeakPolarHBondContact CG2-O 3.41Å
326	T	94	Very high	91.5	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-17.2	177.8	66.1	0	0	0	0	113.7	K163 T275 L276 D277 K324	K163-T326 PolarHBondContact NZ-O 3.48Å; T275-T326 PolarHBondContact O-N 2.88Å; T275-T326 PolarHBondContact O-OG1 3.37Å; T275-T326 VanDerWaalsContact O-OG1 3.08Å; L276-T326 PolarHBondContact O-OG1 3.25Å; D277-T326 HydrophobicContact CB-CG2 3.95Å; K324-T326 PolarHBondContact O-N 2.98Å
327	Y	93.6	Very high	91.6	Very high	41 Å²	41	55.6 Å²	55.6	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	142.5	174.8	174.9	-97.9	0	0	0	109.3	L156 K159 L160 D274 T275 I325 Q329	L156-Y327 HydrophobicContact CD1-CE1 3.98Å; K159-Y327 HydrophobicContact CB-CE2 4.36Å; K159-Y327 HydrophobicContact CD-CE2 4.01Å; K159-Y327 WeakPolarHBondContact CD-OH 3.09Å; K159-Y327 PolarHBondContact NZ-OH 3.43Å; K159-Y327 VanDerWaalsContact NZ-OH 3.11Å; L160-Y327 HydrophobicContact CD2-CD1 3.64Å; L160-Y327 HydrophobicContact CD2-CE1 4.36Å; L160-Y327 HydrophobicContact CD2-CG 3.86Å; D274-Y327 CarbonylContact C-O 3.47Å; D274-Y327 WeakPolarHBondContact CA-O 3.33Å; T275-Y327 PolarHBondContact N-O 2.93Å; T275-Y327 PolarHBondContact O-N 3.46Å; I325-Y327 VanDerWaalsContact CG2-O 3.3Å; I325-Y327 WeakPolarHBondContact CG2-O 3.41Å; Y327-Q329 HydrophobicContact CE1-CB 3.87Å; Y327-Q329 WeakPolarHBondContact OH-CB 3.04Å; Y327-Q329 PolarHBondContact OH-OE1 3.41Å
328	S	92.9	Very high	91.5	Very high	57 Å²	57	53.1 Å²	53.1	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	176.6	-169.7	0	0	0	0	110.5	K272 I273 D274	K272-S328 VanDerWaalsContact CE-OG 3.31Å; K272-S328 WeakPolarHBondContact CE-OG 3.18Å; I273-S328 CarbonylContact O-C 3.57Å; I273-S328 WeakPolarHBondContact O-CA 3.47Å; D274-S328 VanDerWaalsContact OD1-CB 3.29Å; D274-S328 WeakPolarHBondContact OD1-CB 3.4Å; D274-S328 PolarHBondContact OD1-OG 3.28Å
329	Q	91.7	Very high	91.2	Very high	42 Å²	42	60.3 Å²	60.3	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.6	177.2	-177.1	173	3.3	0	0	110.9	K272 I273 Y327 L331	K272-Q329 CarbonylContact C-O 3.54Å; K272-Q329 VanDerWaalsContact CA-O 3.29Å; K272-Q329 WeakPolarHBondContact CA-O 3.44Å; I273-Q329 PolarHBondContact N-O 3.32Å; I273-Q329 PolarHBondContact O-N 2.86Å; Y327-Q329 HydrophobicContact CE1-CB 3.87Å; Y327-Q329 WeakPolarHBondContact OH-CB 3.04Å; Y327-Q329 PolarHBondContact OH-OE1 3.41Å; Q329-L331 HydrophobicContact CG-CD2 4.18Å; Q329-L331 HydrophobicContact CG-CG 4.32Å
330	I	91.3	Very high	90.5	Very high	57 Å²	57	58.5 Å²	58.5	29%	0.292	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	173.3	-59.2	169.5	0	0	0	108.6	L270 A271 K272 L302 F303 M340	L270-I330 HydrophobicContact CD1-CG2 4.15Å; A271-I330 CarbonylContact O-C 3.39Å; A271-I330 WeakPolarHBondContact O-CA 3.43Å; K272-I330 HydrophobicContact CG-CG1 4.45Å; L302-I330 HydrophobicContact CD2-CD1 3.7Å; L302-I330 HydrophobicContact CD2-CG1 4.45Å; F303-I330 HydrophobicContact CZ-CG2 4.33Å; I330-M340 HydrophobicContact CD1-CE 3.26Å; I330-M340 HydrophobicContact CD1-SD 3.85Å
331	L	91.9	Very high	89.9	Confident	27 Å²	27	60.4 Å²	60.4	14%	0.141	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.7	-178.8	-63.3	172.5	0	0	0	109.7	L127 L270 A271 I273 Q329 Y333	L127-L331 HydrophobicContact CD1-CB 4.44Å; L127-L331 HydrophobicContact CD1-CD1 3.65Å; L270-L331 CarbonylContact C-O 3.57Å; L270-L331 WeakPolarHBondContact CA-O 3.47Å; A271-L331 HydrophobicContact CB-CB 4.43Å; A271-L331 PolarHBondContact N-O 2.97Å; A271-L331 PolarHBondContact O-N 2.78Å; I273-L331 HydrophobicContact CD1-CD1 3.76Å; I273-L331 HydrophobicContact CG1-CD1 4.43Å; Q329-L331 HydrophobicContact CG-CD2 4.18Å; Q329-L331 HydrophobicContact CG-CG 4.32Å; L331-Y333 HydrophobicContact CB-CE2 4Å
332	T	91.3	Very high	89	Confident	67 Å²	67	66.4 Å²	66.4	41%	0.411	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128	177.8	55.1	0	0	0	0	109.7	V269 L270 I338	V269-T332 CarbonylContact O-C 3.46Å; V269-T332 WeakPolarHBondContact O-CA 3.46Å; L270-T332 HydrophobicContact CD1-CG2 3.52Å; T332-I338 HydrophobicContact CG2-CB 4.43Å; T332-I338 HydrophobicContact CG2-CD1 3.87Å; T332-I338 HydrophobicContact CG2-CG1 4.29Å
333	Y	93.5	Very high	88.2	Confident	47 Å²	47	63.5 Å²	63.5	18%	0.184	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	173.4	-59.1	-94.7	0	0	0	108.8	L127 V128 D152 G268 V269 L331	L127-Y333 HydrophobicContact CB-CE2 4.17Å; L127-Y333 HydrophobicContact CD1-CE2 3.78Å; V128-Y333 HydrophobicContact CG1-CD1 3.54Å; V128-Y333 HydrophobicContact CG1-CD2 4.15Å; V128-Y333 HydrophobicContact CG1-CE1 3.73Å; V128-Y333 HydrophobicContact CG1-CE2 4.34Å; V128-Y333 HydrophobicContact CG1-CG 3.76Å; D152-Y333 PolarHBondContact OD2-OH 3.01Å; G268-Y333 CarbonylContact C-O 3.51Å; G268-Y333 WeakPolarHBondContact CA-O 3.44Å; V269-Y333 HydrophobicContact CB-CD2 4.36Å; V269-Y333 HydrophobicContact CG1-CD2 4.42Å; V269-Y333 PolarHBondContact N-O 3.37Å; V269-Y333 PolarHBondContact O-N 3.34Å; L331-Y333 HydrophobicContact CB-CE2 4Å
334	G	92.1	Very high	87.5	Confident	16 Å²	16	62.7 Å²	62.7	17%	0.165	34%	0.337	C	S	.	.	S	Bend	trans	74.7	165.1	-178.8	0	0	0	0	0	113.9	W348 Q355	G334-W348 PolarHBondContact O-NE1 3.33Å; G334-Q355 WeakPolarHBondContact CA-O 3.23Å
335	G	89.5	Confident	86.9	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	33%	0.331	C	S	.	.	S	Bend	trans	68.9	177.1	-172.4	0	0	0	0	0	113.1	Q355	G335-Q355 PolarHBondContact N-O 3.01Å; G335-Q355 PolarHBondContact O-OE1 3.19Å
336	P	88.5	Confident	86.3	Confident	34 Å²	34	62.8 Å²	62.8	22%	0.221	35%	0.346	C	S	.	.	S	Bend	trans	-66.4	155.5	179.8	30.2	-35.4	0	0	0	111.4	I338 W348	P336-I338 PolarHBondContact O-N 2.73Å; P336-W348 WeakPolarHBondContact CD-O 3.29Å
337	I	86.1	Confident	85.9	Confident	131 Å²	131	65 Å²	65	67%	0.672	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.3	176.8	-61.4	172	0	0	0	109.8
338	I	82.2	Confident	85.6	Confident	30 Å²	30	63.2 Å²	63.2	15%	0.154	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-88.3	122.9	176.4	-58.8	-179.8	0	0	0	109.4	L270 T332 P336 M340 V343 W348	L270-I338 HydrophobicContact CD1-CD1 4Å; T332-I338 HydrophobicContact CG2-CB 4.43Å; T332-I338 HydrophobicContact CG2-CD1 3.87Å; T332-I338 HydrophobicContact CG2-CG1 4.29Å; P336-I338 PolarHBondContact O-N 2.73Å; I338-M340 HydrophobicContact CG2-SD 4.49Å; I338-V343 HydrophobicContact CG2-CG2 4.28Å; I338-W348 HydrophobicContact CD1-CB 4.26Å; I338-W348 HydrophobicContact CD1-CD2 4.48Å; I338-W348 HydrophobicContact CD1-CG 3.88Å; I338-W348 HydrophobicContact CG1-CB 4.33Å; I338-W348 HydrophobicContact CG1-CG 4.15Å
339	Y	81.8	Confident	85.1	Confident	162 Å²	162	63.5 Å²	63.5	64%	0.635	34%	0.343	S	S	*	.			trans	-92.6	115.4	170.1	-63.1	-81.7	0	0	0	109.6	S341 N342 V343	Y339-S341 PolarHBondContact O-N 3.02Å; Y339-S341 VanDerWaalsContact O-N 3.07Å; Y339-N342 CarbonylContact O-C 3.45Å; Y339-N342 VanDerWaalsContact O-C 3.25Å; Y339-N342 PolarHBondContact O-N 3.46Å; Y339-V343 PolarHBondContact O-N 3.41Å
340	M	76.2	Confident	84.8	Confident	91 Å²	91	65.6 Å²	65.6	45%	0.448	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.8	-19.3	-176.5	-66.7	-58.9	-62.3	0	0	114	L302 I330 I338 N342 V343	L302-M340 HydrophobicContact CD1-CE 4.16Å; L302-M340 HydrophobicContact CD2-CE 4.31Å; L302-M340 HydrophobicContact CG-CE 4.32Å; I330-M340 HydrophobicContact CD1-CE 3.26Å; I330-M340 HydrophobicContact CD1-SD 3.85Å; I338-M340 HydrophobicContact CG2-SD 4.49Å; M340-N342 VanDerWaalsContact C-N 3.26Å; M340-N342 PolarHBondContact O-N 3.38Å; M340-V343 HydrophobicContact CE-CG2 4.09Å; M340-V343 HydrophobicContact SD-CG2 3.96Å
341	S	78.4	Confident	84.7	Confident	118 Å²	118	63.6 Å²	63.6	83%	0.825	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.4	173.9	57.1	0	0	0	0	113.7	Y339	Y339-S341 PolarHBondContact O-N 3.02Å; Y339-S341 VanDerWaalsContact O-N 3.07Å
342	N	75.1	Confident	84.5	Confident	128 Å²	128	62.4 Å²	62.4	68%	0.684	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-149.4	67	-179.7	-171.1	9.4	0	0	0	109.7	Y339 M340 N344	Y339-N342 CarbonylContact O-C 3.45Å; Y339-N342 VanDerWaalsContact O-C 3.25Å; Y339-N342 PolarHBondContact O-N 3.46Å; M340-N342 VanDerWaalsContact C-N 3.26Å; M340-N342 PolarHBondContact O-N 3.38Å; N342-N344 PolarHBondContact O-N 3.38Å; N342-N344 VanDerWaalsContact O-N 3.12Å
343	V	76.2	Confident	84.3	Confident	27 Å²	27	61.4 Å²	61.4	16%	0.164	34%	0.342	C	S	.	.			trans	-66.3	110.7	179.4	177.1	0	0	0	0	109.4	F303 I338 Y339 M340	F303-V343 HydrophobicContact CD1-CG1 3.24Å; F303-V343 HydrophobicContact CE1-CG1 3.66Å; F303-V343 HydrophobicContact CG-CG1 4.26Å; I338-V343 HydrophobicContact CG2-CG2 4.28Å; Y339-V343 PolarHBondContact O-N 3.41Å; M340-V343 HydrophobicContact CE-CG2 4.09Å; M340-V343 HydrophobicContact SD-CG2 3.96Å
344	N	80.8	Confident	84	Confident	74 Å²	74	64.3 Å²	64.3	40%	0.396	36%	0.36	S	S	.	.			trans	-123	97.4	171.9	-173.7	-21.7	0	0	0	109.5	N342 S346 L347 W348	N342-N344 PolarHBondContact O-N 3.38Å; N342-N344 VanDerWaalsContact O-N 3.12Å; N344-S346 VanDerWaalsContact C-N 3.28Å; N344-S346 PolarHBondContact O-N 2.79Å; N344-S346 PolarHBondContact OD1-N 2.99Å; N344-S346 VanDerWaalsContact OD1-N 3.1Å; N344-S346 PolarHBondContact OD1-OG 3.23Å; N344-L347 HydrophobicContact CB-CB 3.99Å; N344-L347 WeakPolarHBondContact O-CB 3.45Å; N344-L347 PolarHBondContact O-N 3.4Å; N344-L347 PolarHBondContact OD1-N 2.87Å; N344-L347 VanDerWaalsContact OD1-N 3.13Å; N344-W348 PolarHBondContact O-N 3.31Å
345	L	82.9	Confident	83.9	Confident	24 Å²	24	68.3 Å²	68.3	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-36	-178.9	-169.8	67.5	0	0	0	111.9	M172 L270 V305 L347 W348 E349	M172-L345 HydrophobicContact CE-CD2 3.94Å; M172-L345 HydrophobicContact SD-CD1 3.9Å; M172-L345 HydrophobicContact SD-CD2 3.67Å; M172-L345 HydrophobicContact SD-CG 4.39Å; L270-L345 HydrophobicContact CD2-CD1 4.22Å; V305-L345 HydrophobicContact CG2-CD2 3.68Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.88Å; L345-W348 HydrophobicContact CD1-CE3 3.85Å; L345-W348 HydrophobicContact CD1-CZ3 4.42Å; L345-W348 WeakPolarHBondContact O-CB 3.07Å; L345-W348 PolarHBondContact O-N 3.09Å; L345-W348 VanDerWaalsContact O-N 3.14Å; L345-E349 WeakPolarHBondContact O-CG 3.47Å; L345-E349 PolarHBondContact O-N 3.42Å
346	S	82.9	Confident	84	Confident	77 Å²	77	68.4 Å²	68.4	54%	0.538	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-35	177.7	71.5	0	0	0	0	112.6	N344 S350	N344-S346 VanDerWaalsContact C-N 3.28Å; N344-S346 PolarHBondContact O-N 2.79Å; N344-S346 PolarHBondContact OD1-N 2.99Å; N344-S346 VanDerWaalsContact OD1-N 3.1Å; N344-S346 PolarHBondContact OD1-OG 3.23Å; S346-S350 WeakPolarHBondContact O-CB 3.33Å; S346-S350 PolarHBondContact O-N 3.18Å; S346-S350 PolarHBondContact O-OG 3.04Å
347	L	85.1	Confident	84.3	Confident	108 Å²	108	69.3 Å²	69.3	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-66.9	-44.1	173.8	-177.6	64.9	0	0	0	110.7	N344 L345 E349 S350 G351	N344-L347 HydrophobicContact CB-CB 3.99Å; N344-L347 WeakPolarHBondContact O-CB 3.45Å; N344-L347 PolarHBondContact O-N 3.4Å; N344-L347 PolarHBondContact OD1-N 2.87Å; N344-L347 VanDerWaalsContact OD1-N 3.13Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.88Å; L347-E349 PolarHBondContact O-N 3.08Å; L347-S350 PolarHBondContact O-N 3.09Å; L347-S350 PolarHBondContact O-OG 2.7Å; L347-G351 PolarHBondContact O-N 3.2Å
348	W	86.6	Confident	84.8	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.011	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-47.6	175.7	177.6	80.5	0	0	0	111.9	H174 G334 P336 I338 N344 L345 S350 G351 L352	H174-W348 HydrophobicContact CB-CH2 4.5Å; G334-W348 PolarHBondContact O-NE1 3.33Å; P336-W348 WeakPolarHBondContact CD-O 3.29Å; I338-W348 HydrophobicContact CD1-CB 4.26Å; I338-W348 HydrophobicContact CD1-CD2 4.48Å; I338-W348 HydrophobicContact CD1-CG 3.88Å; I338-W348 HydrophobicContact CG1-CB 4.33Å; I338-W348 HydrophobicContact CG1-CG 4.15Å; N344-W348 PolarHBondContact O-N 3.31Å; L345-W348 HydrophobicContact CD1-CE3 3.85Å; L345-W348 HydrophobicContact CD1-CZ3 4.42Å; L345-W348 WeakPolarHBondContact O-CB 3.07Å; L345-W348 PolarHBondContact O-N 3.09Å; L345-W348 VanDerWaalsContact O-N 3.14Å; W348-S350 PolarHBondContact O-N 3.08Å; W348-G351 PolarHBondContact O-N 3.18Å; W348-L352 HydrophobicContact CZ2-CD1 4.42Å; W348-L352 PolarHBondContact O-N 3.41Å
349	E	83.4	Confident	85.4	Confident	62 Å²	62	62 Å²	62	29%	0.29	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.7	-70.4	-173.4	149.7	0	0	112.4	I111 H174 L345 L347 G351 L352	I111-E349 WeakPolarHBondContact CD1-OE1 3.31Å; H174-E349 IonicContact ND1-OE1 3.03Å; L345-E349 WeakPolarHBondContact O-CG 3.47Å; L345-E349 PolarHBondContact O-N 3.42Å; L347-E349 PolarHBondContact O-N 3.08Å; E349-G351 PolarHBondContact O-N 3.27Å; E349-L352 VanDerWaalsContact O-CB 3.31Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 2.89Å; E349-L352 VanDerWaalsContact O-N 3.15Å
350	S	85.8	Confident	86	Confident	86 Å²	86	55 Å²	55	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-63	-28.3	179.8	73.6	0	0	0	0	113.4	S346 L347 W348	S346-S350 WeakPolarHBondContact O-CB 3.33Å; S346-S350 PolarHBondContact O-N 3.18Å; S346-S350 PolarHBondContact O-OG 3.04Å; L347-S350 PolarHBondContact O-N 3.09Å; L347-S350 PolarHBondContact O-OG 2.7Å; W348-S350 PolarHBondContact O-N 3.08Å
351	G	88.4	Confident	86.9	Confident	15 Å²	15	52 Å²	52	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-87.2	-9.6	178.9	0	0	0	0	0	114.4	L347 W348 E349 D353 N354	L347-G351 PolarHBondContact O-N 3.2Å; W348-G351 PolarHBondContact O-N 3.18Å; E349-G351 PolarHBondContact O-N 3.27Å; G351-D353 PolarHBondContact O-N 3.29Å; G351-N354 PolarHBondContact O-N 2.93Å; G351-N354 VanDerWaalsContact O-N 3.17Å
352	L	88.3	Confident	87.7	Confident	2 Å²	2	48 Å²	48	1%	0.01	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.2	-40.1	-168.6	-172.2	58.5	0	0	0	113.4	H174 R176 W348 E349 N354 Q355 L356	H174-L352 HydrophobicContact CB-CD2 4.08Å; R176-L352 HydrophobicContact CG-CD2 3.63Å; R176-L352 HydrophobicContact CG-CG 4.07Å; W348-L352 HydrophobicContact CZ2-CD1 4.42Å; W348-L352 PolarHBondContact O-N 3.41Å; E349-L352 VanDerWaalsContact O-CB 3.31Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 2.89Å; E349-L352 VanDerWaalsContact O-N 3.15Å; L352-N354 PolarHBondContact O-N 2.81Å; L352-N354 VanDerWaalsContact O-N 3.09Å; L352-Q355 CarbonylContact O-C 3.55Å; L352-Q355 PolarHBondContact O-N 3.35Å; L352-L356 HydrophobicContact CG-CD2 4.44Å; L352-L356 WeakPolarHBondContact O-CD2 3.48Å; L352-L356 PolarHBondContact O-N 3.41Å
353	D	85.7	Confident	88.6	Confident	46 Å²	46	42.9 Å²	42.9	25%	0.246	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.7	179.7	-82.9	7.3	0	0	0	113.4	K94 R176 G351	K94-D353 IonicContact NZ-OD2 3.58Å; K94-D353 PolarHBondContact NZ-OD2 3.14Å; R176-D353 IonicContact CZ-OD1 3.56Å; R176-D353 VanDerWaalsContact CZ-OD1 3.22Å; R176-D353 IonicContact NE-OD1 3.85Å; R176-D353 PolarHBondContact NE-OD1 3.39Å; R176-D353 IonicContact NH2-OD1 2.72Å; R176-D353 PolarHBondContact NH2-OD1 2.94Å; R176-D353 IonicContact NH2-OD2 3.56Å; R176-D353 PolarHBondContact NH2-OD2 2.79Å; R176-D353 VanDerWaalsContact NH2-OD2 3.09Å; G351-D353 PolarHBondContact O-N 3.29Å
354	N	87	Confident	89.3	Confident	108 Å²	108	44.3 Å²	44.3	58%	0.578	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-92.6	-15.7	178.2	-72.6	-48.8	0	0	0	113.6	K57 G351 L352	K57-N354 PolarHBondContact NZ-OD1 2.63Å; G351-N354 PolarHBondContact O-N 2.93Å; G351-N354 VanDerWaalsContact O-N 3.17Å; L352-N354 PolarHBondContact O-N 2.81Å; L352-N354 VanDerWaalsContact O-N 3.09Å
355	Q	90.9	Very high	89.9	Confident	100 Å²	100	41.3 Å²	41.3	47%	0.467	24%	0.238	S	C	.	.	S	Bend	trans	-137.9	55.4	-171.9	-62	-175	23.9	0	0	110	G334 G335 L352	G334-Q355 WeakPolarHBondContact CA-O 3.23Å; G335-Q355 PolarHBondContact N-O 3.01Å; G335-Q355 PolarHBondContact O-OE1 3.19Å; L352-Q355 CarbonylContact O-C 3.55Å; L352-Q355 PolarHBondContact O-N 3.35Å
356	L	91.8	Very high	90.4	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	23%	0.232	C	C	.	.			trans	-72.9	134.7	177.8	-65.1	172.3	0	0	0	110.6	S60 V61 F95 R176 Y177 A266 L352	S60-L356 PolarHBondContact OG-O 3.3Å; V61-L356 WeakPolarHBondContact CG2-O 3.45Å; F95-L356 HydrophobicContact CZ-CD1 4.09Å; R176-L356 HydrophobicContact CB-CD2 3.83Å; R176-L356 HydrophobicContact CG-CD2 4.03Å; Y177-L356 HydrophobicContact CD2-CD1 3.53Å; Y177-L356 HydrophobicContact CD2-CD2 4.29Å; Y177-L356 HydrophobicContact CE2-CD1 3.69Å; A266-L356 HydrophobicContact CB-CB 4.33Å; L352-L356 HydrophobicContact CG-CD2 4.44Å; L352-L356 WeakPolarHBondContact O-CD2 3.48Å; L352-L356 PolarHBondContact O-N 3.41Å
357	V	95	Very high	91	Very high	52 Å²	52	37.6 Å²	37.6	32%	0.315	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.9	170.3	-57	0	0	0	0	109.8	A266 G267 I359	A266-V357 VanDerWaalsContact CA-O 3.29Å; A266-V357 WeakPolarHBondContact CA-O 3.4Å; G267-V357 PolarHBondContact N-O 3.39Å; G267-V357 PolarHBondContact O-N 2.79Å; V357-I359 HydrophobicContact CG2-CG2 3.82Å; V357-I359 PolarHBondContact O-N 3.35Å
358	A	95.9	Very high	91.3	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.8	170.1	0	0	0	0	0	109.9	V61 V264 Y265 R361	V61-A358 HydrophobicContact CG1-CB 3.61Å; V264-A358 HydrophobicContact CB-CB 4.4Å; Y265-A358 WeakPolarHBondContact O-CA 3.46Å; A358-R361 HydrophobicContact CB-CG 4.33Å; A358-R361 PolarHBondContact O-NH1 3.33Å
359	I	94.5	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-14.2	179.5	54.8	165.4	0	0	0	112.5	L127 V128 R173 N175 Y265 V269 V357	L127-I359 VanDerWaalsContact O-O 3.12Å; V128-I359 CarbonylContact C-O 3.54Å; V128-I359 VanDerWaalsContact CA-O 3.29Å; V128-I359 WeakPolarHBondContact CA-O 3.4Å; R173-I359 HydrophobicContact CG-CD1 4.01Å; R173-I359 PolarHBondContact NH1-O 3.17Å; N175-I359 WeakPolarHBondContact OD1-CD1 3.42Å; Y265-I359 WeakPolarHBondContact O-CG1 3.25Å; Y265-I359 PolarHBondContact O-N 3.41Å; V269-I359 HydrophobicContact CB-CG2 4.39Å; V269-I359 HydrophobicContact CG2-CB 3.71Å; V269-I359 HydrophobicContact CG2-CD1 4.32Å; V269-I359 HydrophobicContact CG2-CG2 3.75Å; V357-I359 HydrophobicContact CG2-CG2 3.82Å; V357-I359 PolarHBondContact O-N 3.35Å
360	D	95.6	Very high	92.2	Very high	14 Å²	14	35.3 Å²	35.3	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	154.5	163	-159.5	13.6	0	0	0	109.6	V128 Y130 S131 V264 Y265	V128-D360 WeakPolarHBondContact O-CA 3.18Å; Y130-D360 PolarHBondContact N-OD1 2.97Å; S131-D360 WeakPolarHBondContact CB-OD2 3.27Å; S131-D360 PolarHBondContact N-OD1 2.99Å; S131-D360 PolarHBondContact OG-OD2 3.11Å; V264-D360 WeakPolarHBondContact CA-O 3.48Å; Y265-D360 HydrophobicContact CD2-CB 4.19Å; Y265-D360 PolarHBondContact N-O 2.99Å; Y265-D360 PolarHBondContact O-N 2.78Å
361	R	95.4	Very high	92.6	Very high	29 Å²	29	33.8 Å²	33.8	11%	0.109	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.4	-175.8	-61.7	174.6	174.6	72.7	-5.7	108.7	E74 V128 S131 I132 I261 V264 A358	E74-R361 IonicContact OE1-CZ 2.65Å; E74-R361 IonicContact OE1-NE 3.73Å; E74-R361 PolarHBondContact OE1-NE 2.8Å; E74-R361 IonicContact OE1-NH2 3.44Å; E74-R361 PolarHBondContact OE1-NH2 3.41Å; V128-R361 PolarHBondContact O-NH1 3.3Å; S131-R361 CarbonylContact C-O 3.54Å; S131-R361 WeakPolarHBondContact CB-O 3.3Å; I132-R361 VanDerWaalsContact CB-O 3.32Å; I132-R361 WeakPolarHBondContact CB-O 3.41Å; I132-R361 HydrophobicContact CG2-CB 4.32Å; I132-R361 PolarHBondContact N-O 2.83Å; I261-R361 HydrophobicContact CG2-CB 4.41Å; V264-R361 HydrophobicContact CG1-CG 4.1Å; A358-R361 HydrophobicContact CB-CG 4.33Å; A358-R361 PolarHBondContact O-NH1 3.33Å
362	S	95	Very high	92.8	Very high	35 Å²	35	36.8 Å²	36.8	25%	0.245	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147	169.8	-56.9	0	0	0	0	109.1	S131 N262 S263	S131-S362 VanDerWaalsContact CB-OG 3.24Å; S131-S362 WeakPolarHBondContact CB-OG 3.2Å; N262-S362 PolarHBondContact N-O 3.31Å; S263-S362 PolarHBondContact N-O 2.98Å; S263-S362 PolarHBondContact O-N 2.94Å; S263-S362 WeakPolarHBondContact OG-CB 3.31Å
363	G	92.7	Very high	93	Very high	19 Å²	19	45.5 Å²	45.5	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-178.4	-173.5	0	0	0	0	0	112.1	C260	C260-G363 CarbonylContact O-C 3.34Å; C260-G363 WeakPolarHBondContact O-CA 3.22Å
364	Q	90.8	Very high	93.4	Very high	58 Å²	58	44.5 Å²	44.5	27%	0.271	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.7	177.3	69.8	-165.6	-4.6	0	0	110.3	H259 C260 N262 L369	H259-Q364 CarbonylContact C-O 3.54Å; H259-Q364 WeakPolarHBondContact CA-O 3.22Å; H259-Q364 WeakPolarHBondContact CB-O 3.46Å; H259-Q364 VanDerWaalsContact CD2-C 3.5Å; C260-Q364 PolarHBondContact N-O 3.4Å; C260-Q364 PolarHBondContact O-N 2.93Å; C260-Q364 VanDerWaalsContact O-N 3.12Å; N262-Q364 PolarHBondContact ND2-NE2 3.37Å; N262-Q364 PolarHBondContact ND2-OE1 3.16Å; Q364-L369 HydrophobicContact CG-CD2 4.49Å
365	P	93.5	Very high	93.7	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.071	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	142.9	176.2	-25.5	33.6	0	0	0	112.7	T258 Y367 E368	T258-P365 WeakPolarHBondContact O-CA 3.37Å; P365-Y367 HydrophobicContact CB-CD1 3.95Å; P365-Y367 HydrophobicContact CB-CD2 4.26Å; P365-Y367 HydrophobicContact CB-CE1 3.44Å; P365-Y367 VanDerWaalsContact CB-CE1 3.44Å; P365-Y367 HydrophobicContact CB-CE2 3.75Å; P365-Y367 HydrophobicContact CB-CG 4.33Å; P365-Y367 HydrophobicContact CG-CE1 4.34Å; P365-Y367 HydrophobicContact CG-CE2 4.31Å; P365-Y367 PolarHBondContact O-N 3.17Å; P365-E368 HydrophobicContact CB-CG 4.27Å; P365-E368 HydrophobicContact CG-CG 4.46Å; P365-E368 WeakPolarHBondContact O-CB 3.27Å; P365-E368 PolarHBondContact O-N 2.65Å
366	I	94.6	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-62.1	-28.6	-175.6	56.4	164	0	0	0	113.6	I78 V252 V253 G257 T258 H259 E368 L369 I390 V394	I78-I366 HydrophobicContact CD1-CG2 3.56Å; V252-I366 HydrophobicContact CG1-CD1 3.99Å; V253-I366 HydrophobicContact CG2-CD1 4.42Å; G257-I366 WeakPolarHBondContact O-CD1 3.49Å; T258-I366 PolarHBondContact O-N 3.43Å; H259-I366 VanDerWaalsContact C-CG2 3.44Å; H259-I366 WeakPolarHBondContact O-CG2 3.47Å; I366-E368 VanDerWaalsContact C-N 3.25Å; I366-E368 PolarHBondContact O-N 2.6Å; I366-L369 WeakPolarHBondContact O-CB 3.36Å; I366-L369 PolarHBondContact O-N 3.45Å; I366-I390 HydrophobicContact CD1-CG2 3.71Å; I366-I390 HydrophobicContact CG1-CG2 3.91Å; I366-V394 HydrophobicContact CD1-CG2 4.4Å; I366-V394 HydrophobicContact CG1-CG2 4.2Å
367	Y	94.6	Very high	93.6	Very high	22 Å²	22	37.2 Å²	37.2	9%	0.086	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-72.4	-18.6	178.9	54.9	-104.2	0	0	0	112.7	P365 L369 I370 K391 V394	P365-Y367 HydrophobicContact CB-CD1 3.95Å; P365-Y367 HydrophobicContact CB-CD2 4.26Å; P365-Y367 HydrophobicContact CB-CE1 3.44Å; P365-Y367 VanDerWaalsContact CB-CE1 3.44Å; P365-Y367 HydrophobicContact CB-CE2 3.75Å; P365-Y367 HydrophobicContact CB-CG 4.33Å; P365-Y367 HydrophobicContact CG-CE1 4.34Å; P365-Y367 HydrophobicContact CG-CE2 4.31Å; P365-Y367 PolarHBondContact O-N 3.17Å; Y367-L369 VanDerWaalsContact C-N 3.28Å; Y367-I370 PolarHBondContact O-N 2.04Å; Y367-K391 HydrophobicContact CD1-CB 3.91Å; Y367-K391 HydrophobicContact CD1-CG 4.22Å; Y367-K391 HydrophobicContact CD2-CB 4.4Å; Y367-K391 HydrophobicContact CE1-CB 4.24Å; Y367-K391 HydrophobicContact CE1-CG 4.03Å; Y367-K391 HydrophobicContact CE2-CG 4.47Å; Y367-K391 HydrophobicContact CG-CB 3.99Å; Y367-V394 HydrophobicContact CD1-CB 4.41Å; Y367-V394 HydrophobicContact CD1-CG2 4.13Å; Y367-V394 HydrophobicContact CE1-CB 4.32Å; Y367-V394 HydrophobicContact CE1-CG1 4.29Å; Y367-V394 HydrophobicContact CE1-CG2 4.43Å
368	E	92.4	Very high	93.5	Very high	98 Å²	98	35 Å²	35	46%	0.458	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-78	-16	175.9	-64.6	-178.3	-172.1	0	0	112.5	P365 I366 I370	P365-E368 HydrophobicContact CB-CG 4.27Å; P365-E368 HydrophobicContact CG-CG 4.46Å; P365-E368 WeakPolarHBondContact O-CB 3.27Å; P365-E368 PolarHBondContact O-N 2.65Å; I366-E368 VanDerWaalsContact C-N 3.25Å; I366-E368 PolarHBondContact O-N 2.6Å; E368-I370 VanDerWaalsContact C-N 3.26Å
369	L	92.8	Very high	93.4	Very high	22 Å²	22	36.7 Å²	36.7	12%	0.115	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75	-18.5	172.6	-66.2	173.8	0	0	0	113	I78 C260 Q364 I366 Y367 T371 S374	I78-L369 HydrophobicContact CG2-CD1 3.38Å; C260-L369 HydrophobicContact CB-CD1 3.42Å; C260-L369 VanDerWaalsContact CB-CD1 3.42Å; C260-L369 HydrophobicContact CB-CG 4.35Å; Q364-L369 HydrophobicContact CG-CD2 4.49Å; I366-L369 WeakPolarHBondContact O-CB 3.36Å; I366-L369 PolarHBondContact O-N 3.45Å; Y367-L369 VanDerWaalsContact C-N 3.28Å; L369-T371 PolarHBondContact O-N 2.8Å; L369-S374 VanDerWaalsContact O-CB 3.27Å; L369-S374 WeakPolarHBondContact O-CB 3.36Å; L369-S374 PolarHBondContact O-OG 3.4Å
370	I	95.1	Very high	93.4	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.214	C	C	.	.			trans	-84.5	99.4	-175.1	-53.4	177.2	0	0	0	108.2	L195 Y367 E368 L375 I383 L386 V387 I390	L195-I370 HydrophobicContact CD1-CD1 4.18Å; L195-I370 HydrophobicContact CD1-CG1 4.01Å; L195-I370 HydrophobicContact CD2-CD1 3.79Å; Y367-I370 PolarHBondContact O-N 2.04Å; E368-I370 VanDerWaalsContact C-N 3.26Å; I370-L375 HydrophobicContact CG2-CD1 3.9Å; I370-I383 HydrophobicContact CG2-CD1 4.28Å; I370-I383 HydrophobicContact CG2-CG2 4.44Å; I370-L386 HydrophobicContact CD1-CD2 4.46Å; I370-L386 HydrophobicContact CD1-CG 4.2Å; I370-L386 HydrophobicContact CG2-CD2 3.69Å; I370-L386 HydrophobicContact CG2-CG 4.08Å; I370-V387 HydrophobicContact CB-CG2 3.82Å; I370-V387 HydrophobicContact CG2-CG2 3.93Å; I370-V387 WeakPolarHBondContact O-CG2 3.38Å; I370-I390 HydrophobicContact CD1-CB 4.3Å; I370-I390 HydrophobicContact CD1-CG1 3.79Å
371	T	95	Very high	93.3	Very high	54 Å²	54	46.2 Å²	46.2	33%	0.331	24%	0.243	S	C	.	.	S	Bend	trans	-134	163.2	-178	65.3	0	0	0	0	110.8	L369 R373 S374 L375	L369-T371 PolarHBondContact O-N 2.8Å; T371-R373 PolarHBondContact O-N 2.63Å; T371-R373 VanDerWaalsContact O-N 3.08Å; T371-R373 PolarHBondContact OG1-N 3.03Å; T371-S374 PolarHBondContact N-OG 2.9Å; T371-S374 PolarHBondContact O-N 3.12Å; T371-S374 PolarHBondContact O-OG 3.02Å; T371-S374 PolarHBondContact OG1-N 3.47Å; T371-S374 PolarHBondContact OG1-OG 2.86Å; T371-L375 PolarHBondContact O-N 3.26Å; T371-L375 VanDerWaalsContact O-N 3.09Å
372	D	93	Very high	93.3	Very high	78 Å²	78	45.3 Å²	45.3	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.6	172.5	-57	-69.1	0	0	0	112.7	P376 S380	D372-P376 VanDerWaalsContact O-CA 3.27Å; D372-P376 WeakPolarHBondContact O-CA 3.17Å; D372-S380 VanDerWaalsContact OD1-CA 3.22Å; D372-S380 WeakPolarHBondContact OD1-CA 3.01Å; D372-S380 VanDerWaalsContact OD1-CB 3.31Å; D372-S380 WeakPolarHBondContact OD1-CB 3.21Å; D372-S380 PolarHBondContact OD1-OG 3.3Å
373	R	92.5	Very high	93.4	Very high	184 Å²	184	44 Å²	44	69%	0.694	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-37.9	176.3	-64.8	-174.7	-175.5	175.2	4.2	112.7	D184 T371	D184-R373 IonicContact OD1-NH1 3.13Å; D184-R373 IonicContact OD2-CZ 2.77Å; D184-R373 IonicContact OD2-NH1 2.8Å; D184-R373 PolarHBondContact OD2-NH1 3.02Å; T371-R373 PolarHBondContact O-N 2.63Å; T371-R373 VanDerWaalsContact O-N 3.08Å; T371-R373 PolarHBondContact OG1-N 3.03Å
374	S	92.9	Very high	93.6	Very high	25 Å²	25	47 Å²	47	18%	0.175	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.5	-178.8	69.1	0	0	0	0	113.2	L369 T371	L369-S374 VanDerWaalsContact O-CB 3.27Å; L369-S374 WeakPolarHBondContact O-CB 3.36Å; L369-S374 PolarHBondContact O-OG 3.4Å; T371-S374 PolarHBondContact N-OG 2.9Å; T371-S374 PolarHBondContact O-N 3.12Å; T371-S374 PolarHBondContact O-OG 3.02Å; T371-S374 PolarHBondContact OG1-N 3.47Å; T371-S374 PolarHBondContact OG1-OG 2.86Å
375	L	94	Very high	93.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.			trans	-133.2	65.8	-179.4	-62.4	176.4	0	0	0	109.4	L187 K192 L195 I370 T371 E377 L378 I383 L386	L187-L375 HydrophobicContact CD1-CD2 4Å; L187-L375 HydrophobicContact CD1-CG 4.35Å; K192-L375 HydrophobicContact CD-CD2 4.4Å; K192-L375 HydrophobicContact CG-CD2 3.76Å; L195-L375 HydrophobicContact CB-CD1 4.29Å; L195-L375 HydrophobicContact CD1-CD1 4.02Å; I370-L375 HydrophobicContact CG2-CD1 3.9Å; T371-L375 PolarHBondContact O-N 3.26Å; T371-L375 VanDerWaalsContact O-N 3.09Å; L375-E377 WeakPolarHBondContact CD2-OE1 3.49Å; L375-E377 PolarHBondContact O-N 3.48Å; L375-E377 VanDerWaalsContact O-N 3.08Å; L375-L378 HydrophobicContact CB-CD1 4.13Å; L375-L378 HydrophobicContact CB-CG 4.28Å; L375-L378 HydrophobicContact CD1-CD1 3.74Å; L375-L378 PolarHBondContact O-N 2.95Å; L375-I383 HydrophobicContact CB-CD1 3.88Å; L375-I383 HydrophobicContact CD1-CD1 4.11Å; L375-L386 HydrophobicContact CD1-CD2 3.78Å
376	P	91.8	Very high	94.1	Very high	55 Å²	55	46.5 Å²	46.5	36%	0.357	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.9	-174.5	29.6	-38.1	0	0	0	114.2	D372 K788	D372-P376 VanDerWaalsContact O-CA 3.27Å; D372-P376 WeakPolarHBondContact O-CA 3.17Å; P376-K788 VanDerWaalsContact O-CD 3.3Å; P376-K788 WeakPolarHBondContact O-CD 3.45Å; P376-K788 WeakPolarHBondContact O-CE 3.22Å; P376-K788 PolarHBondContact O-NZ 2.87Å
377	E	88.5	Confident	94.2	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.056	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.4	173.2	66.8	-81.4	-177.6	0	0	113.2	K192 L196 L375 D787 K788 I793	K192-E377 WeakPolarHBondContact CE-OE1 2.99Å; K192-E377 WeakPolarHBondContact CE-OE2 3.36Å; K192-E377 VanDerWaalsContact NZ-CD 3.27Å; K192-E377 IonicContact NZ-OE1 3.48Å; K192-E377 PolarHBondContact NZ-OE1 2.97Å; K192-E377 IonicContact NZ-OE2 3.26Å; K192-E377 PolarHBondContact NZ-OE2 3.3Å; L196-E377 HydrophobicContact CD2-CG 4.01Å; L196-E377 WeakPolarHBondContact CD2-OE1 3.23Å; L375-E377 WeakPolarHBondContact CD2-OE1 3.49Å; L375-E377 PolarHBondContact O-N 3.48Å; L375-E377 VanDerWaalsContact O-N 3.08Å; E377-D787 CarbonylContact O-C 3.56Å; E377-D787 WeakPolarHBondContact O-CA 3.19Å; E377-D787 WeakPolarHBondContact O-CB 3.47Å; E377-K788 PolarHBondContact O-N 3.08Å; E377-I793 HydrophobicContact CB-CD1 3.8Å; E377-I793 HydrophobicContact CG-CD1 3.98Å
378	L	93.2	Very high	94.3	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-88.6	151.8	-178	-63.9	-176.9	0	0	0	112.4	L196 A199 L375 M382 I383 L386 L785	L196-L378 HydrophobicContact CD2-CD1 4.13Å; L196-L378 HydrophobicContact CD2-CD2 3.79Å; L196-L378 HydrophobicContact CD2-CG 3.99Å; A199-L378 HydrophobicContact CB-CD1 4.12Å; A199-L378 HydrophobicContact CB-CD2 4.13Å; L375-L378 HydrophobicContact CB-CD1 4.13Å; L375-L378 HydrophobicContact CB-CG 4.28Å; L375-L378 HydrophobicContact CD1-CD1 3.74Å; L375-L378 PolarHBondContact O-N 2.95Å; L378-M382 HydrophobicContact CD1-CG 4.34Å; L378-M382 HydrophobicContact CD2-CG 4.26Å; L378-I383 HydrophobicContact CB-CD1 3.86Å; L378-I383 HydrophobicContact CB-CG1 4.2Å; L378-I383 HydrophobicContact CD1-CD1 3.93Å; L378-I383 HydrophobicContact CG-CD1 4.48Å; L378-L386 HydrophobicContact CD1-CD2 4.02Å; L378-L785 HydrophobicContact CD2-CD1 4.38Å; L378-L785 HydrophobicContact CD2-CD2 3.8Å; L378-L785 HydrophobicContact CD2-CG 4.35Å
379	S	94.1	Very high	94.5	Very high	44 Å²	44	43.4 Å²	43.4	31%	0.308	23%	0.231	S	C	.	.			trans	-73.8	151.2	169	70.5	0	0	0	0	111.8	H381 M382 I383	S379-H381 PolarHBondContact O-N 3.41Å; S379-M382 WeakPolarHBondContact O-CA 3.45Å; S379-M382 WeakPolarHBondContact O-CB 3.02Å; S379-M382 PolarHBondContact O-N 3.31Å; S379-M382 PolarHBondContact OG-N 3.3Å; S379-I383 PolarHBondContact O-N 3.18Å
380	S	94.5	Very high	94.7	Very high	68 Å²	68	42.4 Å²	42.4	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-32.5	-179.9	-53.8	0	0	0	0	113.4	D372 M382 I383 V384	D372-S380 VanDerWaalsContact OD1-CA 3.22Å; D372-S380 WeakPolarHBondContact OD1-CA 3.01Å; D372-S380 VanDerWaalsContact OD1-CB 3.31Å; D372-S380 WeakPolarHBondContact OD1-CB 3.21Å; D372-S380 PolarHBondContact OD1-OG 3.3Å; S380-M382 VanDerWaalsContact C-N 3.33Å; S380-M382 PolarHBondContact O-N 3.31Å; S380-I383 PolarHBondContact O-N 3.18Å; S380-V384 WeakPolarHBondContact O-CG2 3.3Å; S380-V384 PolarHBondContact O-N 3.45Å; S380-V384 VanDerWaalsContact O-N 3.12Å
381	H	93.6	Very high	94.7	Very high	147 Å²	147	45.7 Å²	45.7	68%	0.681	24%	0.239	S	C	*	.	H	α-helix	trans	-65.4	-36	173.2	-67.5	-68.5	0	0	0	112.5	S379 R385	S379-H381 PolarHBondContact O-N 3.41Å; H381-R385 WeakPolarHBondContact O-CG 3.2Å; H381-R385 PolarHBondContact O-N 3.36Å
382	M	95.6	Very high	94.6	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-40.3	175	-172.3	57.2	67.7	0	0	111.2	A199 L202 E203 L378 S379 S380 V384 R385 L386	A199-M382 HydrophobicContact CB-CG 4.01Å; A199-M382 HydrophobicContact CB-SD 4.18Å; L202-M382 HydrophobicContact CB-SD 4.01Å; L202-M382 HydrophobicContact CD1-SD 4.41Å; E203-M382 HydrophobicContact CB-CE 3.66Å; E203-M382 HydrophobicContact CG-CE 4.26Å; L378-M382 HydrophobicContact CD1-CG 4.34Å; L378-M382 HydrophobicContact CD2-CG 4.26Å; S379-M382 WeakPolarHBondContact O-CA 3.45Å; S379-M382 WeakPolarHBondContact O-CB 3.02Å; S379-M382 PolarHBondContact O-N 3.31Å; S379-M382 PolarHBondContact OG-N 3.3Å; S380-M382 VanDerWaalsContact C-N 3.33Å; S380-M382 PolarHBondContact O-N 3.31Å; M382-V384 VanDerWaalsContact C-N 3.33Å; M382-V384 PolarHBondContact O-N 3.39Å; M382-R385 PolarHBondContact O-N 3.3Å; M382-L386 WeakPolarHBondContact O-CB 3.46Å; M382-L386 PolarHBondContact O-N 2.96Å
383	I	96.6	Very high	94.7	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.046	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-48.8	174.9	-66	-65.1	0	0	0	110.9	I370 L375 L378 S379 S380 R385 L386 V387	I370-I383 HydrophobicContact CG2-CD1 4.28Å; I370-I383 HydrophobicContact CG2-CG2 4.44Å; L375-I383 HydrophobicContact CB-CD1 3.88Å; L375-I383 HydrophobicContact CD1-CD1 4.11Å; L378-I383 HydrophobicContact CB-CD1 3.86Å; L378-I383 HydrophobicContact CB-CG1 4.2Å; L378-I383 HydrophobicContact CD1-CD1 3.93Å; L378-I383 HydrophobicContact CG-CD1 4.48Å; S379-I383 PolarHBondContact O-N 3.18Å; S380-I383 PolarHBondContact O-N 3.18Å; I383-R385 PolarHBondContact O-N 2.85Å; I383-L386 PolarHBondContact O-N 2.71Å; I383-V387 HydrophobicContact CG2-CG2 4.27Å; I383-V387 WeakPolarHBondContact O-CB 3.29Å; I383-V387 VanDerWaalsContact O-CG2 3.25Å; I383-V387 WeakPolarHBondContact O-CG2 3.15Å; I383-V387 PolarHBondContact O-N 3Å
384	V	96.6	Very high	94.8	Very high	82 Å²	82	30.9 Å²	30.9	50%	0.497	17%	0.172	S	C	.	.	H	α-helix	trans	-59.5	-44	179.5	173.1	0	0	0	0	112	M209 S380 M382 A388	M209-V384 HydrophobicContact CG-CG1 4.48Å; M209-V384 HydrophobicContact SD-CG1 3.97Å; S380-V384 WeakPolarHBondContact O-CG2 3.3Å; S380-V384 PolarHBondContact O-N 3.45Å; S380-V384 VanDerWaalsContact O-N 3.12Å; M382-V384 VanDerWaalsContact C-N 3.33Å; M382-V384 PolarHBondContact O-N 3.39Å; V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.38Å
385	R	97	Very high	94.6	Very high	57 Å²	57	30.9 Å²	30.9	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-40.9	177.9	-63.3	172.7	-159	-167.9	16	111.8	L202 V207 M209 I212 H381 M382 I383 A388 T389	L202-R385 HydrophobicContact CD1-CB 4.17Å; V207-R385 VanDerWaalsContact O-CD 3.31Å; V207-R385 WeakPolarHBondContact O-CD 3.31Å; V207-R385 PolarHBondContact O-NH1 3.42Å; M209-R385 HydrophobicContact SD-CG 4.36Å; I212-R385 HydrophobicContact CD1-CB 4.28Å; H381-R385 WeakPolarHBondContact O-CG 3.2Å; H381-R385 PolarHBondContact O-N 3.36Å; M382-R385 PolarHBondContact O-N 3.3Å; I383-R385 PolarHBondContact O-N 2.85Å; R385-A388 PolarHBondContact O-N 3.14Å; R385-T389 WeakPolarHBondContact O-CB 3.5Å; R385-T389 PolarHBondContact O-N 3.07Å; R385-T389 PolarHBondContact O-OG1 2.95Å
386	L	97.4	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-46.2	178.1	-179.8	62	0	0	0	111	L195 I198 I370 L375 L378 M382 I383 A388 T389 I390	L195-L386 HydrophobicContact CB-CD2 4.16Å; I198-L386 HydrophobicContact CB-CD1 3.83Å; I198-L386 HydrophobicContact CG2-CD1 3.58Å; I370-L386 HydrophobicContact CD1-CD2 4.46Å; I370-L386 HydrophobicContact CD1-CG 4.2Å; I370-L386 HydrophobicContact CG2-CD2 3.69Å; I370-L386 HydrophobicContact CG2-CG 4.08Å; L375-L386 HydrophobicContact CD1-CD2 3.78Å; L378-L386 HydrophobicContact CD1-CD2 4.02Å; M382-L386 WeakPolarHBondContact O-CB 3.46Å; M382-L386 PolarHBondContact O-N 2.96Å; I383-L386 PolarHBondContact O-N 2.71Å; L386-A388 PolarHBondContact O-N 3.41Å; L386-T389 PolarHBondContact O-N 3.15Å; L386-I390 HydrophobicContact CD1-CG1 4.38Å; L386-I390 WeakPolarHBondContact O-CG1 3.25Å; L386-I390 PolarHBondContact O-N 3.25Å
387	V	97.2	Very high	94.4	Very high	38 Å²	38	28.9 Å²	28.9	23%	0.23	16%	0.155	C	C	.	.	H	α-helix	trans	-55.9	-49.7	173.7	169.8	0	0	0	0	110.6	I370 I383 T389 I390 K391	I370-V387 HydrophobicContact CB-CG2 3.82Å; I370-V387 HydrophobicContact CG2-CG2 3.93Å; I370-V387 WeakPolarHBondContact O-CG2 3.38Å; I383-V387 HydrophobicContact CG2-CG2 4.27Å; I383-V387 WeakPolarHBondContact O-CB 3.29Å; I383-V387 VanDerWaalsContact O-CG2 3.25Å; I383-V387 WeakPolarHBondContact O-CG2 3.15Å; I383-V387 PolarHBondContact O-N 3Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.22Å; V387-I390 PolarHBondContact O-N 3.22Å; V387-K391 VanDerWaalsContact O-CB 3.23Å; V387-K391 WeakPolarHBondContact O-CB 3.37Å; V387-K391 PolarHBondContact O-N 3.47Å
388	A	96.3	Very high	94.5	Very high	18 Å²	18	28.4 Å²	28.4	15%	0.149	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-38.7	179.3	0	0	0	0	0	112.6	M209 I212 V384 R385 L386 S392	M209-A388 HydrophobicContact CE-CB 3.68Å; M209-A388 HydrophobicContact SD-CB 3.72Å; I212-A388 HydrophobicContact CD1-CB 4.07Å; I212-A388 HydrophobicContact CG2-CB 4.27Å; V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.38Å; R385-A388 PolarHBondContact O-N 3.14Å; L386-A388 PolarHBondContact O-N 3.41Å; A388-S392 WeakPolarHBondContact O-CB 3.26Å; A388-S392 PolarHBondContact O-N 2.95Å
389	T	97.1	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-46.3	178.6	-57.3	0	0	0	0	111.7	I198 I212 F246 A249 R385 L386 V387 S392 A393	I198-T389 HydrophobicContact CG2-CG2 4.02Å; I212-T389 WeakPolarHBondContact CD1-OG1 3.23Å; F246-T389 HydrophobicContact CD1-CG2 3.83Å; F246-T389 HydrophobicContact CE1-CG2 4.1Å; A249-T389 HydrophobicContact CB-CG2 3.91Å; R385-T389 WeakPolarHBondContact O-CB 3.5Å; R385-T389 PolarHBondContact O-N 3.07Å; R385-T389 PolarHBondContact O-OG1 2.95Å; L386-T389 PolarHBondContact O-N 3.15Å; V387-T389 VanDerWaalsContact C-N 3.3Å; V387-T389 PolarHBondContact O-N 3.22Å; T389-S392 WeakPolarHBondContact O-CB 3.45Å; T389-S392 PolarHBondContact O-N 3.01Å; T389-A393 PolarHBondContact O-N 3.33Å
390	I	97.3	Very high	93.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-68.6	-41.5	177	-60.7	-62	0	0	0	111	L195 I198 A249 V252 I366 I370 L386 V387 S392 A393 V394	L195-I390 HydrophobicContact CD2-CD1 4.26Å; L195-I390 HydrophobicContact CD2-CG1 4.34Å; I198-I390 HydrophobicContact CD1-CD1 3.59Å; A249-I390 HydrophobicContact CB-CD1 3.85Å; V252-I390 HydrophobicContact CB-CD1 4.31Å; V252-I390 HydrophobicContact CG1-CD1 4.27Å; I366-I390 HydrophobicContact CD1-CG2 3.71Å; I366-I390 HydrophobicContact CG1-CG2 3.91Å; I370-I390 HydrophobicContact CD1-CB 4.3Å; I370-I390 HydrophobicContact CD1-CG1 3.79Å; L386-I390 HydrophobicContact CD1-CG1 4.38Å; L386-I390 WeakPolarHBondContact O-CG1 3.25Å; L386-I390 PolarHBondContact O-N 3.25Å; V387-I390 PolarHBondContact O-N 3.22Å; I390-S392 VanDerWaalsContact C-N 3.32Å; I390-S392 PolarHBondContact O-N 2.84Å; I390-A393 PolarHBondContact O-N 2.92Å; I390-A393 VanDerWaalsContact O-N 3.14Å; I390-V394 PolarHBondContact O-N 3.01Å
391	K	94.7	Very high	93.4	Very high	75 Å²	75	26 Å²	26	33%	0.326	13%	0.128	S	C	.	.	H	α-helix	trans	-57.6	-45.3	175.2	-177.4	179.8	175.5	-173.8	0	111.3	Y367 V387 A393 V394 E395	Y367-K391 HydrophobicContact CD1-CB 3.91Å; Y367-K391 HydrophobicContact CD1-CG 4.22Å; Y367-K391 HydrophobicContact CD2-CB 4.4Å; Y367-K391 HydrophobicContact CE1-CB 4.24Å; Y367-K391 HydrophobicContact CE1-CG 4.03Å; Y367-K391 HydrophobicContact CE2-CG 4.47Å; Y367-K391 HydrophobicContact CG-CB 3.99Å; V387-K391 VanDerWaalsContact O-CB 3.23Å; V387-K391 WeakPolarHBondContact O-CB 3.37Å; V387-K391 PolarHBondContact O-N 3.47Å; K391-A393 VanDerWaalsContact C-N 3.32Å; K391-A393 PolarHBondContact O-N 3.4Å; K391-V394 PolarHBondContact O-N 2.56Å; K391-E395 WeakPolarHBondContact CE-OE1 3.07Å; K391-E395 WeakPolarHBondContact O-CG 3.27Å; K391-E395 PolarHBondContact O-N 3.28Å
392	S	92.9	Very high	93	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-54.9	-45.5	174	170.7	0	0	0	0	112.3	N216 A388 T389 I390 E395 R396	N216-S392 VanDerWaalsContact OD1-CB 3.24Å; N216-S392 WeakPolarHBondContact OD1-CB 3.39Å; N216-S392 PolarHBondContact OD1-OG 3.21Å; A388-S392 WeakPolarHBondContact O-CB 3.26Å; A388-S392 PolarHBondContact O-N 2.95Å; T389-S392 WeakPolarHBondContact O-CB 3.45Å; T389-S392 PolarHBondContact O-N 3.01Å; I390-S392 VanDerWaalsContact C-N 3.32Å; I390-S392 PolarHBondContact O-N 2.84Å; S392-E395 PolarHBondContact O-N 2.85Å; S392-R396 VanDerWaalsContact O-CB 3.3Å; S392-R396 WeakPolarHBondContact O-CB 3.41Å; S392-R396 PolarHBondContact O-N 3.14Å; S392-R396 PolarHBondContact OG-NH2 3.07Å
393	A	94.7	Very high	92.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-41.6	178.2	0	0	0	0	0	112.5	A249 V253 T389 I390 K391 R396 Y397	A249-A393 HydrophobicContact CB-CB 3.83Å; V253-A393 HydrophobicContact CG2-CB 3.78Å; T389-A393 PolarHBondContact O-N 3.33Å; I390-A393 PolarHBondContact O-N 2.92Å; I390-A393 VanDerWaalsContact O-N 3.14Å; K391-A393 VanDerWaalsContact C-N 3.32Å; K391-A393 PolarHBondContact O-N 3.4Å; A393-R396 PolarHBondContact O-N 2.98Å; A393-Y397 PolarHBondContact O-N 3.29Å; A393-Y397 VanDerWaalsContact O-N 3.08Å
394	V	94	Very high	91.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-51.6	175	173.4	0	0	0	0	110.3	V253 T258 I366 Y367 I390 K391 R396 Y397 Y398	V253-V394 HydrophobicContact CG2-CG2 3.74Å; T258-V394 HydrophobicContact CG2-CG1 4.18Å; I366-V394 HydrophobicContact CD1-CG2 4.4Å; I366-V394 HydrophobicContact CG1-CG2 4.2Å; Y367-V394 HydrophobicContact CD1-CB 4.41Å; Y367-V394 HydrophobicContact CD1-CG2 4.13Å; Y367-V394 HydrophobicContact CE1-CB 4.32Å; Y367-V394 HydrophobicContact CE1-CG1 4.29Å; Y367-V394 HydrophobicContact CE1-CG2 4.43Å; I390-V394 PolarHBondContact O-N 3.01Å; K391-V394 PolarHBondContact O-N 2.56Å; V394-R396 VanDerWaalsContact C-N 3.29Å; V394-R396 PolarHBondContact O-N 3.38Å; V394-Y397 WeakPolarHBondContact O-CB 3.09Å; V394-Y397 PolarHBondContact O-N 2.9Å; V394-Y397 VanDerWaalsContact O-N 3.13Å; V394-Y398 HydrophobicContact CG1-CD2 3.97Å; V394-Y398 HydrophobicContact CG1-CE2 3.82Å; V394-Y398 WeakPolarHBondContact O-CD2 3.26Å; V394-Y398 PolarHBondContact O-N 2.94Å; V394-Y398 VanDerWaalsContact O-N 3.15Å
395	E	89.9	Confident	90.5	Very high	25 Å²	25	19.6 Å²	19.6	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-39.7	179.3	-73	-177.8	-171.5	0	0	112.6	K391 S392 Y397 Y398 K399	K391-E395 WeakPolarHBondContact CE-OE1 3.07Å; K391-E395 WeakPolarHBondContact O-CG 3.27Å; K391-E395 PolarHBondContact O-N 3.28Å; S392-E395 PolarHBondContact O-N 2.85Å; E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 3.1Å; E395-Y398 PolarHBondContact O-N 3.22Å; E395-K399 WeakPolarHBondContact O-CB 3.24Å; E395-K399 VanDerWaalsContact O-CG 3.29Å; E395-K399 WeakPolarHBondContact O-CG 3.49Å; E395-K399 PolarHBondContact O-N 2.93Å; E395-K399 IonicContact OE2-NZ 2.83Å
396	R	89.4	Confident	89.7	Confident	9 Å²	9	17 Å²	17	3%	0.034	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-41.7	176.2	-168.2	-174.7	-46.5	134.5	14.6	111.8	F215 D250 S392 A393 V394 K399 A400 M707 F735	F215-R396 VanDerWaalsContact CE1-NH2 3.29Å; D250-R396 IonicContact OD1-CZ 2.81Å; D250-R396 IonicContact OD1-NH1 3.09Å; D250-R396 PolarHBondContact OD1-NH1 3.02Å; D250-R396 IonicContact OD2-NH1 3.97Å; D250-R396 PolarHBondContact OD2-NH1 3.17Å; S392-R396 VanDerWaalsContact O-CB 3.3Å; S392-R396 WeakPolarHBondContact O-CB 3.41Å; S392-R396 PolarHBondContact O-N 3.14Å; S392-R396 PolarHBondContact OG-NH2 3.07Å; A393-R396 PolarHBondContact O-N 2.98Å; V394-R396 VanDerWaalsContact C-N 3.29Å; V394-R396 PolarHBondContact O-N 3.38Å; R396-K399 PolarHBondContact O-N 3.22Å; R396-A400 WeakPolarHBondContact O-CB 3.39Å; R396-A400 PolarHBondContact O-N 2.87Å; R396-M707 HydrophobicContact CG-CE 3.54Å; R396-F735 HydrophobicContact CG-CB 4.35Å; R396-F735 HydrophobicContact CG-CD2 3.89Å; R396-F735 HydrophobicContact CG-CG 4.29Å
397	Y	92	Very high	88.9	Confident	4 Å²	4	18.3 Å²	18.3	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-42	175.6	175.9	-125.1	0	0	0	112.7	D68 L70 V253 T258 A393 V394 E395 N401 L730 K731 P733 F735	D68-Y397 VanDerWaalsContact CG-OH 3.24Å; D68-Y397 WeakPolarHBondContact OD1-CE1 3.15Å; D68-Y397 PolarHBondContact OD1-OH 3.19Å; D68-Y397 PolarHBondContact OD2-OH 2.85Å; L70-Y397 HydrophobicContact CB-CE1 4.22Å; L70-Y397 HydrophobicContact CD1-CD1 4.02Å; L70-Y397 HydrophobicContact CD1-CD2 4.4Å; L70-Y397 HydrophobicContact CD1-CE1 3.56Å; L70-Y397 HydrophobicContact CD1-CE2 3.97Å; L70-Y397 HydrophobicContact CD1-CG 4.44Å; L70-Y397 HydrophobicContact CG-CD1 4.4Å; L70-Y397 HydrophobicContact CG-CE1 3.72Å; V253-Y397 HydrophobicContact CG1-CD1 4.01Å; V253-Y397 HydrophobicContact CG1-CG 4.18Å; T258-Y397 HydrophobicContact CG2-CD1 3.54Å; T258-Y397 HydrophobicContact CG2-CE1 3.76Å; A393-Y397 PolarHBondContact O-N 3.29Å; A393-Y397 VanDerWaalsContact O-N 3.08Å; V394-Y397 WeakPolarHBondContact O-CB 3.09Å; V394-Y397 PolarHBondContact O-N 2.9Å; V394-Y397 VanDerWaalsContact O-N 3.13Å; E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 3.1Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.4Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.32Å; Y397-N401 PolarHBondContact O-N 3.24Å; Y397-N401 PolarHBondContact O-ND2 3.38Å; Y397-L730 HydrophobicContact CE2-CD1 4.33Å; Y397-L730 HydrophobicContact CE2-CG 4.44Å; Y397-K731 WeakPolarHBondContact CE2-O 3.11Å; Y397-P733 HydrophobicContact CD2-CG 4.08Å; Y397-P733 HydrophobicContact CG-CG 4.41Å; Y397-F735 HydrophobicContact CD2-CE2 4.21Å; Y397-F735 HydrophobicContact CD2-CZ 4.08Å
398	Y	90.8	Very high	88.1	Confident	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-44.8	174	-81.2	-91.2	0	0	0	112.4	N69 L70 Y142 F143 I145 N146 T258 V394 E395 A400 N401 T402	N69-Y398 VanDerWaalsContact CB-OH 3.26Å; N69-Y398 WeakPolarHBondContact CB-OH 3.25Å; L70-Y398 HydrophobicContact CD2-CD1 3.68Å; L70-Y398 HydrophobicContact CD2-CE1 3.39Å; L70-Y398 HydrophobicContact CG-CD1 4.49Å; L70-Y398 HydrophobicContact CG-CE1 4.22Å; Y142-Y398 WeakPolarHBondContact O-CD1 3.47Å; F143-Y398 HydrophobicContact CD1-CD1 4.14Å; F143-Y398 HydrophobicContact CD1-CD2 4.23Å; F143-Y398 AromaticContact CD1-CE1 3.86Å; F143-Y398 HydrophobicContact CD1-CE1 3.86Å; F143-Y398 AromaticContact CD1-CE2 3.97Å; F143-Y398 HydrophobicContact CD1-CE2 3.97Å; F143-Y398 HydrophobicContact CD1-CG 4.34Å; F143-Y398 AromaticContact CD1-CZ 3.78Å; F143-Y398 AromaticContact CE1-CD2 3.91Å; F143-Y398 HydrophobicContact CE1-CD2 3.91Å; F143-Y398 HydrophobicContact CE1-CE1 4.44Å; F143-Y398 AromaticContact CE1-CE2 3.73Å; F143-Y398 HydrophobicContact CE1-CE2 3.73Å; F143-Y398 HydrophobicContact CE1-CG 4.37Å; I145-Y398 HydrophobicContact CD1-CD1 4.14Å; I145-Y398 HydrophobicContact CG1-CD1 3.83Å; I145-Y398 HydrophobicContact CG1-CE1 4.32Å; N146-Y398 VanDerWaalsContact OD1-CE1 3.27Å; N146-Y398 WeakPolarHBondContact OD1-CE1 3.26Å; N146-Y398 PolarHBondContact OD1-OH 2.59Å; T258-Y398 HydrophobicContact CG2-CE2 3.83Å; V394-Y398 HydrophobicContact CG1-CD2 3.97Å; V394-Y398 HydrophobicContact CG1-CE2 3.82Å; V394-Y398 WeakPolarHBondContact O-CD2 3.26Å; V394-Y398 PolarHBondContact O-N 2.94Å; V394-Y398 VanDerWaalsContact O-N 3.15Å; E395-Y398 PolarHBondContact O-N 3.22Å; Y398-A400 PolarHBondContact O-N 2.73Å; Y398-N401 CarbonylContact O-C 3.42Å; Y398-N401 PolarHBondContact O-N 2.88Å; Y398-T402 PolarHBondContact O-N 3.45Å; Y398-T402 PolarHBondContact O-OG1 3.21Å
399	K	84.9	Confident	87.2	Confident	63 Å²	63	18.8 Å²	18.8	27%	0.274	10%	0.098	S	C	.	.	H	α-helix	trans	-58.6	-47.6	178.1	-74.6	169.5	-177.5	166.4	0	111.2	Y142 E395 R396 N401 T402 Q712	Y142-K399 HydrophobicContact CD2-CG 4.28Å; Y142-K399 HydrophobicContact CE2-CG 4.38Å; Y142-K399 HydrophobicContact CG-CG 4.42Å; E395-K399 WeakPolarHBondContact O-CB 3.24Å; E395-K399 VanDerWaalsContact O-CG 3.29Å; E395-K399 WeakPolarHBondContact O-CG 3.49Å; E395-K399 PolarHBondContact O-N 2.93Å; E395-K399 IonicContact OE2-NZ 2.83Å; R396-K399 PolarHBondContact O-N 3.22Å; K399-N401 PolarHBondContact O-N 2.96Å; K399-T402 PolarHBondContact O-N 3.39Å; K399-T402 VanDerWaalsContact O-N 3.16Å; K399-Q712 PolarHBondContact O-OE1 2.95Å
400	A	84.9	Confident	86.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-30.5	179.6	0	0	0	0	0	113.5	R396 Y398 M707 K731 F735	R396-A400 WeakPolarHBondContact O-CB 3.39Å; R396-A400 PolarHBondContact O-N 2.87Å; Y398-A400 PolarHBondContact O-N 2.73Å; A400-M707 HydrophobicContact CB-CE 4.47Å; A400-M707 HydrophobicContact CB-CG 4.5Å; A400-M707 HydrophobicContact CB-SD 4.35Å; A400-K731 HydrophobicContact CB-CB 4.42Å; A400-K731 WeakPolarHBondContact O-CD 2.96Å; A400-K731 PolarHBondContact O-NZ 2.85Å; A400-F735 HydrophobicContact CB-CD1 4.32Å; A400-F735 HydrophobicContact CB-CE1 3.59Å; A400-F735 HydrophobicContact CB-CE2 4.41Å; A400-F735 HydrophobicContact CB-CZ 3.64Å
401	N	88.4	Confident	85.5	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-101	1.7	-178.1	-69.5	-71.1	0	0	0	114	L70 I145 F149 Y397 Y398 K399 N419 K731	L70-N401 HydrophobicContact CD1-CB 3.67Å; I145-N401 HydrophobicContact CD1-CB 4.03Å; F149-N401 HydrophobicContact CE2-CB 3.87Å; F149-N401 HydrophobicContact CZ-CB 4.09Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.4Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.32Å; Y397-N401 PolarHBondContact O-N 3.24Å; Y397-N401 PolarHBondContact O-ND2 3.38Å; Y398-N401 CarbonylContact O-C 3.42Å; Y398-N401 PolarHBondContact O-N 2.88Å; K399-N401 PolarHBondContact O-N 2.96Å; N401-N419 PolarHBondContact O-ND2 2.99Å; N401-K731 PolarHBondContact ND2-O 3.42Å; N401-K731 PolarHBondContact OD1-N 3.41Å
402	T	85	Confident	84.6	Confident	6 Å²	6	23.9 Å²	23.9	4%	0.037	13%	0.132	C	C	.	.			trans	-83	125.8	173.8	-63.4	0	0	0	0	110	Y142 Y398 K399 V404 V420	Y142-T402 HydrophobicContact CD1-CG2 3.94Å; Y142-T402 HydrophobicContact CE1-CG2 4.39Å; Y398-T402 PolarHBondContact O-N 3.45Å; Y398-T402 PolarHBondContact O-OG1 3.21Å; K399-T402 PolarHBondContact O-N 3.39Å; K399-T402 VanDerWaalsContact O-N 3.16Å; T402-V404 HydrophobicContact CG2-CG2 3.95Å; T402-V420 HydrophobicContact CG2-CB 4.04Å; T402-V420 HydrophobicContact CG2-CG2 3.54Å
403	V	79.7	Confident	83.8	Confident	35 Å²	35	24.6 Å²	24.6	21%	0.212	14%	0.135	C	C	.	.			trans	-118.5	107.5	172.5	-176.1	0	0	0	0	107.4	E417 A418 N419 V420	V403-E417 HydrophobicContact CG1-CB 4.32Å; V403-A418 WeakPolarHBondContact O-CA 3.39Å; V403-N419 PolarHBondContact N-OD1 3.23Å; V403-N419 PolarHBondContact O-N 3.35Å; V403-N419 PolarHBondContact O-OD1 3.4Å; V403-V420 PolarHBondContact O-N 2.93Å; V403-V420 VanDerWaalsContact O-N 3.09Å
404	V	79	Confident	83	Confident	65 Å²	65	27.3 Å²	27.3	39%	0.394	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.7	177.9	-177.8	0	0	0	0	108.6	T402 V420	T402-V404 HydrophobicContact CG2-CG2 3.95Å; V404-V420 WeakPolarHBondContact CA-O 3.44Å; V404-V420 HydrophobicContact CG2-CB 4.22Å; V404-V420 HydrophobicContact CG2-CG1 4.19Å
405	G	77.1	Confident	82.2	Confident	6 Å²	6	28 Å²	28	6%	0.062	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	177.6	-179.1	0	0	0	0	0	112.1	M407 V420 A421 S422	G405-M407 PolarHBondContact O-N 3.36Å; G405-V420 PolarHBondContact N-O 3.39Å; G405-V420 VanDerWaalsContact O-O 3.14Å; G405-A421 CarbonylContact O-C 3.55Å; G405-A421 WeakPolarHBondContact O-CA 3.3Å; G405-S422 PolarHBondContact O-N 3.12Å
406	C	81	Confident	81.4	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.027	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-81.3	116.9	-177.7	175.2	0	0	0	0	110.3	S411 F413 Y414 D415 C425	C406-S411 WeakPolarHBondContact SG-CB 3.37Å; C406-S411 PolarHBondContact SG-OG 3.08Å; C406-F413 HydrophobicContact CB-CB 3.88Å; C406-F413 VanDerWaalsContact CB-O 3.3Å; C406-F413 WeakPolarHBondContact CB-O 3.49Å; C406-Y414 WeakPolarHBondContact O-CA 3.46Å; C406-Y414 WeakPolarHBondContact O-CD2 3.44Å; C406-D415 PolarHBondContact O-N 3.41Å; C406-C425 WeakPolarHBondContact CA-SG 3.36Å; C406-C425 HydrophobicContact CB-CB 3.62Å; C406-C425 WeakPolarHBondContact CB-SG 3.32Å; C406-C425 WeakPolarHBondContact SG-CA 3.35Å; C406-C425 WeakPolarHBondContact SG-CB 3.46Å; C406-C425 CovalentContact SG-SG 2.03Å; C406-C425 PolarHBondContact SG-SG 2.86Å
407	M	80.5	Confident	80.9	Confident	27 Å²	27	30.2 Å²	30.2	13%	0.133	16%	0.161	C	C	.	.			trans	-91.9	-0.4	-175.5	-62	177	71	0	0	113.6	S122 G405 P409 A418 A421	S122-M407 VanDerWaalsContact CB-CE 3.45Å; G405-M407 PolarHBondContact O-N 3.36Å; M407-P409 VanDerWaalsContact O-CD 3.3Å; M407-P409 WeakPolarHBondContact O-CD 3.43Å; M407-A418 HydrophobicContact CG-CB 3.95Å; M407-A421 HydrophobicContact CG-CB 4.36Å; M407-A421 HydrophobicContact SD-CB 3.91Å; M407-A421 PolarHBondContact SD-N 2.98Å
408	N	79.4	Confident	80.3	Confident	50 Å²	50	30.2 Å²	30.2	27%	0.267	16%	0.161	S	C	.	.			trans	-85.1	113.3	-179	-179.9	-0.9	0	0	0	110.6	L410 S411 Y414 C425	N408-L410 PolarHBondContact O-N 2.83Å; N408-L410 VanDerWaalsContact O-N 3.11Å; N408-L410 WeakPolarHBondContact OD1-CB 3.5Å; N408-L410 PolarHBondContact OD1-N 3.26Å; N408-S411 WeakPolarHBondContact O-CB 3.46Å; N408-S411 PolarHBondContact O-N 3.04Å; N408-Y414 VanDerWaalsContact C-CD2 3.43Å; N408-Y414 WeakPolarHBondContact O-CB 3.36Å; N408-Y414 WeakPolarHBondContact O-CD2 3.4Å; N408-C425 VanDerWaalsContact CB-SG 3.54Å
409	P	78.1	Confident	80.1	Confident	15 Å²	15	30.5 Å²	30.5	10%	0.097	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	179.8	-25.9	37.4	0	0	0	115.3	L164 L281 M407 S411 Y414	L164-P409 HydrophobicContact CB-CB 4.29Å; L164-P409 HydrophobicContact CD1-CB 4.25Å; L164-P409 HydrophobicContact CD2-CB 4.13Å; L164-P409 HydrophobicContact CG-CB 4.43Å; L281-P409 HydrophobicContact CD1-CB 4.08Å; M407-P409 VanDerWaalsContact O-CD 3.3Å; M407-P409 WeakPolarHBondContact O-CD 3.43Å; P409-S411 VanDerWaalsContact C-N 3.33Å; P409-Y414 HydrophobicContact CB-CE2 4.48Å; P409-Y414 HydrophobicContact CG-CE2 4.09Å
410	L	78.8	Confident	80	Confident	99 Å²	99	28.2 Å²	28.2	52%	0.518	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12	177.3	-60.9	179.1	0	0	0	112.7	L281 N408	L281-L410 HydrophobicContact CB-CD1 4.19Å; L281-L410 HydrophobicContact CB-CD2 4.04Å; L281-L410 HydrophobicContact CB-CG 4.25Å; L281-L410 HydrophobicContact CD1-CD2 3.95Å; L281-L410 HydrophobicContact CD1-CG 4.38Å; N408-L410 PolarHBondContact O-N 2.83Å; N408-L410 VanDerWaalsContact O-N 3.11Å; N408-L410 WeakPolarHBondContact OD1-CB 3.5Å; N408-L410 PolarHBondContact OD1-N 3.26Å
411	S	79.1	Confident	79.8	Confident	19 Å²	19	31.3 Å²	31.3	13%	0.133	18%	0.18	C	C	.	.	S	Bend	trans	-81	143.1	-179.7	-175.4	0	0	0	0	111.2	C406 N408 P409 F413 Y414 C425	C406-S411 WeakPolarHBondContact SG-CB 3.37Å; C406-S411 PolarHBondContact SG-OG 3.08Å; N408-S411 WeakPolarHBondContact O-CB 3.46Å; N408-S411 PolarHBondContact O-N 3.04Å; P409-S411 VanDerWaalsContact C-N 3.33Å; S411-F413 PolarHBondContact O-N 3.43Å; S411-F413 PolarHBondContact OG-N 2.74Å; S411-F413 VanDerWaalsContact OG-N 3.11Å; S411-Y414 VanDerWaalsContact O-CB 3.31Å; S411-Y414 WeakPolarHBondContact O-CB 3.24Å; S411-Y414 PolarHBondContact O-N 3.23Å; S411-Y414 VanDerWaalsContact O-N 3.14Å; S411-C425 PolarHBondContact OG-O 3.07Å
412	V	75.8	Confident	79.2	Confident	65 Å²	65	32.2 Å²	32.2	39%	0.394	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	169.7	-176.9	0	0	0	0	110.8	Y414 I432 N720	V412-Y414 VanDerWaalsContact C-N 3.33Å; V412-I432 HydrophobicContact CG1-CD1 3.9Å; V412-N720 VanDerWaalsContact O-CG 3.26Å; V412-N720 PolarHBondContact O-ND2 3.29Å; V412-N720 PolarHBondContact O-OD1 3.25Å
413	F	76.9	Confident	78.5	Confident	20 Å²	20	37.3 Å²	37.3	9%	0.088	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6	178	-57.2	-60.3	0	0	0	113.6	C406 S411 D415 L427 I432 A719	C406-F413 HydrophobicContact CB-CB 3.88Å; C406-F413 VanDerWaalsContact CB-O 3.3Å; C406-F413 WeakPolarHBondContact CB-O 3.49Å; S411-F413 PolarHBondContact O-N 3.43Å; S411-F413 PolarHBondContact OG-N 2.74Å; S411-F413 VanDerWaalsContact OG-N 3.11Å; F413-D415 PolarHBondContact O-N 3.03Å; F413-L427 HydrophobicContact CD2-CB 4.33Å; F413-L427 HydrophobicContact CE2-CB 3.7Å; F413-L427 VanDerWaalsContact CE2-O 3.3Å; F413-L427 WeakPolarHBondContact CE2-O 2.72Å; F413-I432 HydrophobicContact CE1-CD1 3.99Å; F413-I432 HydrophobicContact CE1-CG1 4.26Å; F413-I432 HydrophobicContact CZ-CD1 4.24Å; F413-I432 HydrophobicContact CZ-CG1 4.25Å; F413-A719 HydrophobicContact CD1-CB 3.52Å; F413-A719 HydrophobicContact CE1-CB 4.14Å
414	Y	78.3	Confident	78.1	Confident	57 Å²	57	38.7 Å²	38.7	22%	0.224	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-51.3	122	-174.3	-179.5	-121.2	0	0	0	112.2	L164 C406 N408 P409 S411 V412 N416	L164-Y414 HydrophobicContact CD2-CE1 4.31Å; C406-Y414 WeakPolarHBondContact O-CA 3.46Å; C406-Y414 WeakPolarHBondContact O-CD2 3.44Å; N408-Y414 VanDerWaalsContact C-CD2 3.43Å; N408-Y414 WeakPolarHBondContact O-CB 3.36Å; N408-Y414 WeakPolarHBondContact O-CD2 3.4Å; P409-Y414 HydrophobicContact CB-CE2 4.48Å; P409-Y414 HydrophobicContact CG-CE2 4.09Å; S411-Y414 VanDerWaalsContact O-CB 3.31Å; S411-Y414 WeakPolarHBondContact O-CB 3.24Å; S411-Y414 PolarHBondContact O-N 3.23Å; S411-Y414 VanDerWaalsContact O-N 3.14Å; V412-Y414 VanDerWaalsContact C-N 3.33Å; Y414-N416 HydrophobicContact CE1-CB 4Å; Y414-N416 PolarHBondContact OH-OD1 3.49Å
415	D	76.3	Confident	77.7	Confident	15 Å²	15	36.3 Å²	36.3	8%	0.08	21%	0.21	C	C	.	.			trans	-116	107.6	175.8	178.8	5	0	0	0	108.3	C406 F413 E417 A418	C406-D415 PolarHBondContact O-N 3.41Å; F413-D415 PolarHBondContact O-N 3.03Å; D415-E417 PolarHBondContact O-N 2.92Å; D415-E417 WeakPolarHBondContact OD1-CB 3.5Å; D415-E417 PolarHBondContact OD1-N 2.89Å; D415-A418 HydrophobicContact CB-CB 3.94Å; D415-A418 VanDerWaalsContact O-CB 3.26Å; D415-A418 WeakPolarHBondContact O-CB 3.49Å; D415-A418 PolarHBondContact O-N 3.2Å; D415-A418 VanDerWaalsContact O-N 3.16Å
416	N	74.8	Confident	77.1	Confident	32 Å²	32	42.3 Å²	42.3	17%	0.171	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.1	179.4	177.7	56.2	0	0	0	112.9	Y414 A418 Q725	Y414-N416 HydrophobicContact CE1-CB 4Å; Y414-N416 PolarHBondContact OH-OD1 3.49Å; N416-A418 VanDerWaalsContact C-N 3.34Å; N416-Q725 PolarHBondContact ND2-NE2 2.88Å
417	E	77.3	Confident	76.1	Confident	49 Å²	49	45.6 Å²	45.6	23%	0.229	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.1	177	-55.9	-64.1	114.2	0	0	111.5	V403 D415 N419 R728	V403-E417 HydrophobicContact CG1-CB 4.32Å; D415-E417 PolarHBondContact O-N 2.92Å; D415-E417 WeakPolarHBondContact OD1-CB 3.5Å; D415-E417 PolarHBondContact OD1-N 2.89Å; E417-N419 PolarHBondContact O-N 3.44Å; E417-R728 PolarHBondContact O-NH1 2.85Å; E417-R728 WeakPolarHBondContact OE2-CD 3.44Å; E417-R728 WeakPolarHBondContact OE2-CG 3.5Å
418	A	80.9	Confident	74.9	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	28%	0.283	C	S	.	.			trans	-63.2	129.6	-176.8	0	0	0	0	0	112.4	V403 M407 D415 N416	V403-A418 WeakPolarHBondContact O-CA 3.39Å; M407-A418 HydrophobicContact CG-CB 3.95Å; D415-A418 HydrophobicContact CB-CB 3.94Å; D415-A418 VanDerWaalsContact O-CB 3.26Å; D415-A418 WeakPolarHBondContact O-CB 3.49Å; D415-A418 PolarHBondContact O-N 3.2Å; D415-A418 VanDerWaalsContact O-N 3.16Å; N416-A418 VanDerWaalsContact C-N 3.34Å
419	N	85.8	Confident	73.6	Confident	8 Å²	8	53 Å²	53	4%	0.043	30%	0.299	C	S	.	.	S	Bend	trans	-120.1	-5.1	174.6	60.9	11.1	0	0	0	112.8	I145 D148 N401 V403 E417	I145-N419 HydrophobicContact CG2-CB 3.85Å; I145-N419 WeakPolarHBondContact CG2-OD1 3.32Å; D148-N419 WeakPolarHBondContact OD2-CB 3.28Å; D148-N419 PolarHBondContact OD2-ND2 2.8Å; N401-N419 PolarHBondContact O-ND2 2.99Å; V403-N419 PolarHBondContact N-OD1 3.23Å; V403-N419 PolarHBondContact O-N 3.35Å; V403-N419 PolarHBondContact O-OD1 3.4Å; E417-N419 PolarHBondContact O-N 3.44Å
420	V	83.3	Confident	72.3	Confident	14 Å²	14	59.9 Å²	59.9	9%	0.085	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.4	168.6	175.3	0	0	0	0	108.6	I145 T402 V403 V404 G405 S422	I145-V420 HydrophobicContact CG2-CG2 3.54Å; T402-V420 HydrophobicContact CG2-CB 4.04Å; T402-V420 HydrophobicContact CG2-CG2 3.54Å; V403-V420 PolarHBondContact O-N 2.93Å; V403-V420 VanDerWaalsContact O-N 3.09Å; V404-V420 WeakPolarHBondContact CA-O 3.44Å; V404-V420 HydrophobicContact CG2-CB 4.22Å; V404-V420 HydrophobicContact CG2-CG1 4.19Å; G405-V420 PolarHBondContact N-O 3.39Å; G405-V420 VanDerWaalsContact O-O 3.14Å; V420-S422 PolarHBondContact O-N 3.07Å
421	A	79.8	Confident	71	Confident	65 Å²	65	61.7 Å²	61.7	54%	0.537	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.3	-179.4	0	0	0	0	0	111	G405 M407	G405-A421 CarbonylContact O-C 3.55Å; G405-A421 WeakPolarHBondContact O-CA 3.3Å; M407-A421 HydrophobicContact CG-CB 4.36Å; M407-A421 HydrophobicContact SD-CB 3.91Å; M407-A421 PolarHBondContact SD-N 2.98Å
422	S	75.8	Confident	69.8	Low	22 Å²	22	63.5 Å²	63.5	15%	0.154	34%	0.341	C	S	.	.			trans	-70.8	138.4	166.8	154.3	0	0	0	0	109.8	G405 V420 E424	G405-S422 PolarHBondContact O-N 3.12Å; V420-S422 PolarHBondContact O-N 3.07Å; S422-E424 PolarHBondContact O-N 3.46Å; S422-E424 PolarHBondContact OG-N 2.92Å; S422-E424 VanDerWaalsContact OG-N 3.08Å; S422-E424 PolarHBondContact OG-OE2 3.16Å
423	P	71.5	Confident	68.7	Low	113 Å²	113	63.2 Å²	63.2	73%	0.734	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.4	174.2	23.4	-28.8	0	0	0	113.3	C425	P423-C425 PolarHBondContact O-N 2.86Å
424	E	70	Confident	67.7	Low	65 Å²	65	68.3 Å²	68.3	30%	0.304	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.4	-176.9	-62.9	88.4	175.7	0	0	114.8	S422 D426 L427 K695	S422-E424 PolarHBondContact O-N 3.46Å; S422-E424 PolarHBondContact OG-N 2.92Å; S422-E424 VanDerWaalsContact OG-N 3.08Å; S422-E424 PolarHBondContact OG-OE2 3.16Å; E424-D426 PolarHBondContact O-N 2.61Å; E424-L427 HydrophobicContact CB-CD1 4Å; E424-L427 WeakPolarHBondContact O-CG 3.37Å; E424-L427 PolarHBondContact O-N 3.11Å; E424-K695 IonicContact OE1-NZ 3.26Å; E424-K695 PolarHBondContact OE1-NZ 2.89Å
425	C	71.6	Confident	66.7	Low	15 Å²	15	67 Å²	67	10%	0.101	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	-172.4	-170.1	0	0	0	0	114.7	C406 N408 S411 P423	C406-C425 WeakPolarHBondContact CA-SG 3.36Å; C406-C425 HydrophobicContact CB-CB 3.62Å; C406-C425 WeakPolarHBondContact CB-SG 3.32Å; C406-C425 WeakPolarHBondContact SG-CA 3.35Å; C406-C425 WeakPolarHBondContact SG-CB 3.46Å; C406-C425 CovalentContact SG-SG 2.03Å; C406-C425 PolarHBondContact SG-SG 2.86Å; N408-C425 VanDerWaalsContact CB-SG 3.54Å; S411-C425 PolarHBondContact OG-O 3.07Å; P423-C425 PolarHBondContact O-N 2.86Å
426	D	63.6	Low	66.2	Low	132 Å²	132	69.5 Å²	69.5	71%	0.706	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	10.9	-174.5	-65.6	-33.3	0	0	0	114.2	E424 Q428	E424-D426 PolarHBondContact O-N 2.61Å; D426-Q428 PolarHBondContact O-N 2.93Å
427	L	61	Low	66.4	Low	72 Å²	72	68.6 Å²	68.6	38%	0.377	38%	0.377	S	S	.	.			trans	-61.6	108	173.8	-69.4	172.2	0	0	0	108.5	F413 E424 V698	F413-L427 HydrophobicContact CD2-CB 4.33Å; F413-L427 HydrophobicContact CE2-CB 3.7Å; F413-L427 VanDerWaalsContact CE2-O 3.3Å; F413-L427 WeakPolarHBondContact CE2-O 2.72Å; E424-L427 HydrophobicContact CB-CD1 4Å; E424-L427 WeakPolarHBondContact O-CG 3.37Å; E424-L427 PolarHBondContact O-N 3.11Å; L427-V698 HydrophobicContact CD1-CB 4.42Å; L427-V698 HydrophobicContact CD1-CG1 3.64Å; L427-V698 HydrophobicContact CD1-CG2 4.03Å
428	Q	55.1	Low	66.8	Low	145 Å²	145	69.5 Å²	69.5	68%	0.678	38%	0.379	S	S	*	.			trans	-55.1	146.5	170.9	-69.5	-175.8	-6	0	0	107.8	D426 K430	D426-Q428 PolarHBondContact O-N 2.93Å; Q428-K430 PolarHBondContact O-N 2.8Å
429	S	51.6	Low	67.3	Low	87 Å²	87	69.4 Å²	69.4	61%	0.608	38%	0.378	S	S	*	.	S	Bend	trans	-54.5	14.6	-173.7	61.5	0	0	0	0	117.4	Q431	S429-Q431 VanDerWaalsContact C-N 3.34Å; S429-Q431 PolarHBondContact O-N 3.28Å
430	K	50.6	Low	67.5	Low	161 Å²	161	69 Å²	69	70%	0.7	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	93.6	178.3	-69.1	-177.2	179.4	176.6	0	109.8	Q428	Q428-K430 PolarHBondContact O-N 2.8Å
431	Q	51.2	Low	68	Low	136 Å²	136	68.4 Å²	68.4	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	72.5	165.8	-60.4	-167.9	-30	0	0	115.3	S429 T433	S429-Q431 VanDerWaalsContact C-N 3.34Å; S429-Q431 PolarHBondContact O-N 3.28Å; Q431-T433 VanDerWaalsContact C-N 3.31Å; Q431-T433 PolarHBondContact O-N 3.34Å
432	I	55.1	Low	68.7	Low	57 Å²	57	65.3 Å²	65.3	29%	0.292	35%	0.346	S	S	.	.			trans	-66.1	98.5	151.2	-56.6	174.3	0	0	0	106.4	V412 F413 N434 Q718	V412-I432 HydrophobicContact CG1-CD1 3.9Å; F413-I432 HydrophobicContact CE1-CD1 3.99Å; F413-I432 HydrophobicContact CE1-CG1 4.26Å; F413-I432 HydrophobicContact CZ-CD1 4.24Å; F413-I432 HydrophobicContact CZ-CG1 4.25Å; I432-N434 PolarHBondContact O-N 3.32Å; I432-Q718 HydrophobicContact CG2-CG 4.32Å
433	T	52.5	Low	69.6	Low	59 Å²	59	64.5 Å²	64.5	36%	0.362	34%	0.34	S	S	.	.			trans	-74.8	114.6	170.4	50.7	0	0	0	0	107.8	Q431 T435	Q431-T433 VanDerWaalsContact C-N 3.31Å; Q431-T433 PolarHBondContact O-N 3.34Å; T433-T435 PolarHBondContact O-N 3.3Å
434	N	55.1	Low	70.8	Confident	128 Å²	128	59.1 Å²	59.1	68%	0.684	31%	0.305	S	S	*	.			trans	-70	73.8	172.3	-73.1	-3.7	0	0	0	109.3	I432 Q718	I432-N434 PolarHBondContact O-N 3.32Å; N434-Q718 PolarHBondContact OD1-NE2 2.89Å
435	T	58.3	Low	71.9	Confident	28 Å²	28	59.6 Å²	59.6	17%	0.172	31%	0.306	C	S	.	.			trans	-103.9	103	175.1	51.6	0	0	0	0	108.3	T433 L437 L526 Y700	T433-T435 PolarHBondContact O-N 3.3Å; T435-L437 PolarHBondContact O-N 2.95Å; T435-L437 VanDerWaalsContact O-N 3.08Å; T435-L526 HydrophobicContact CG2-CD2 3.67Å; T435-Y700 PolarHBondContact O-OH 3.2Å
436	T	65	Low	72.9	Confident	68 Å²	68	60 Å²	60	42%	0.417	31%	0.309	S	S	.	.			trans	-68.3	107	170.5	-47.8	0	0	0	0	107.8
437	L	78.5	Confident	74.1	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.073	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-83.6	126.5	173.2	-60.9	178	0	0	0	108.8	T435 L526 F584 L596 I600	T435-L437 PolarHBondContact O-N 2.95Å; T435-L437 VanDerWaalsContact O-N 3.08Å; L437-L526 HydrophobicContact CD2-CD2 4.09Å; L437-F584 WeakPolarHBondContact CB-O 3.49Å; L437-L596 HydrophobicContact CD1-CB 4.44Å; L437-L596 HydrophobicContact CD1-CD1 3.72Å; L437-L596 HydrophobicContact CD1-CD2 4.4Å; L437-L596 HydrophobicContact CD1-CG 4.41Å; L437-I600 HydrophobicContact CD1-CD1 3.7Å; L437-I600 HydrophobicContact CD1-CG1 4.31Å
438	Y	86.2	Confident	75.3	Confident	68 Å²	68	54.7 Å²	54.7	27%	0.267	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-79.3	146.6	173.7	-59.1	-76.3	0	0	0	110.8	L534	Y438-L534 HydrophobicContact CD1-CD2 4.1Å; Y438-L534 HydrophobicContact CE1-CD2 3.69Å
439	L	91.1	Very high	76.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-89.6	127.9	175.1	176.9	67.1	0	0	0	109.4	G441 V442 W511 Y533 L570 F584 F587	L439-G441 PolarHBondContact O-N 2.89Å; L439-V442 HydrophobicContact CD2-CG1 4.19Å; L439-W511 HydrophobicContact CD1-CE3 3.64Å; L439-W511 HydrophobicContact CD1-CZ3 4.32Å; L439-Y533 PolarHBondContact N-O 3.03Å; L439-Y533 VanDerWaalsContact N-O 3.09Å; L439-Y533 PolarHBondContact O-N 2.86Å; L439-L570 HydrophobicContact CD2-CD1 4.34Å; L439-L570 HydrophobicContact CD2-CD2 3.53Å; L439-F584 HydrophobicContact CB-CD1 4.22Å; L439-F584 HydrophobicContact CB-CE1 4.16Å; L439-F584 HydrophobicContact CD1-CE1 3.68Å; L439-F584 HydrophobicContact CD1-CZ 3.9Å; L439-F584 HydrophobicContact CG-CE1 4.44Å; L439-F587 HydrophobicContact CD1-CE2 4.23Å; L439-F587 HydrophobicContact CD2-CE2 4.24Å
440	G	91.3	Very high	78.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.			trans	-74.1	11.7	-179.2	0	0	0	0	0	115	N460 C512	G440-N460 PolarHBondContact O-ND2 2.98Å; G440-C512 PolarHBondContact N-O 2.79Å; G440-C512 VanDerWaalsContact N-O 3.1Å; G440-C512 WeakPolarHBondContact O-CB 3.45Å
441	G	92.9	Very high	80.2	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.			trans	98.7	179.8	-172.4	0	0	0	0	0	114	L439 C512	L439-G441 PolarHBondContact O-N 2.89Å; G441-C512 WeakPolarHBondContact O-CB 3.48Å; G441-C512 PolarHBondContact O-N 2.71Å
442	V	95.3	Very high	81.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.2	175.2	-61.7	0	0	0	0	108	L439 N460 Y510 W511 I560 I568 L570	L439-V442 HydrophobicContact CD2-CG1 4.19Å; V442-N460 WeakPolarHBondContact O-CA 3.37Å; V442-Y510 VanDerWaalsContact CA-O 3.29Å; V442-Y510 WeakPolarHBondContact CA-O 3.32Å; V442-Y510 WeakPolarHBondContact CB-O 3.3Å; V442-W511 HydrophobicContact CG1-CB 3.95Å; V442-I560 HydrophobicContact CG2-CB 4.17Å; V442-I560 HydrophobicContact CG2-CD1 4Å; V442-I560 HydrophobicContact CG2-CG2 3.78Å; V442-I568 HydrophobicContact CG1-CD1 3.89Å; V442-I568 HydrophobicContact CG2-CD1 4.38Å; V442-L570 HydrophobicContact CG2-CD1 4.46Å
443	Y	95.2	Very high	83.6	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.8	176.7	67.4	-93.8	0	0	0	111	K445 I458 N460 L466 S474 Y510	Y443-K445 HydrophobicContact CD2-CG 4.3Å; Y443-K445 HydrophobicContact CE2-CD 4.41Å; Y443-K445 HydrophobicContact CE2-CG 4.07Å; Y443-I458 CarbonylContact C-O 3.53Å; Y443-I458 VanDerWaalsContact CA-O 3.25Å; Y443-I458 WeakPolarHBondContact CA-O 3.32Å; Y443-I458 VanDerWaalsContact CB-O 3.31Å; Y443-I458 WeakPolarHBondContact CB-O 3.1Å; Y443-N460 HydrophobicContact CD1-CB 4.35Å; Y443-L466 HydrophobicContact CD2-CB 4.24Å; Y443-L466 HydrophobicContact CD2-CD2 4.34Å; Y443-L466 VanDerWaalsContact CE2-O 3.27Å; Y443-L466 WeakPolarHBondContact CE2-O 3.34Å; Y443-S474 WeakPolarHBondContact CE1-OG 3.43Å; Y443-S474 WeakPolarHBondContact OH-CB 2.97Å; Y443-S474 PolarHBondContact OH-OG 3.24Å; Y443-Y510 AromaticContact CD2-CD2 3.97Å; Y443-Y510 HydrophobicContact CD2-CD2 3.97Å; Y443-Y510 HydrophobicContact CD2-CG 4.31Å; Y443-Y510 HydrophobicContact CE1-CG 4.18Å; Y443-Y510 HydrophobicContact CE2-CD1 4.35Å; Y443-Y510 AromaticContact CE2-CD2 3.28Å; Y443-Y510 HydrophobicContact CE2-CD2 3.28Å; Y443-Y510 HydrophobicContact CE2-CE2 4.03Å; Y443-Y510 AromaticContact CE2-CG 3.49Å; Y443-Y510 HydrophobicContact CE2-CG 3.49Å; Y443-Y510 VanDerWaalsContact CE2-CG 3.49Å; Y443-Y510 AromaticContact CZ-CD1 3.99Å; Y443-Y510 AromaticContact CZ-CD2 3.76Å; Y443-Y510 AromaticContact CZ-CG 3.42Å; Y443-Y510 VanDerWaalsContact CZ-CG 3.42Å; Y443-Y510 PolarHBondContact N-O 3.2Å; Y443-Y510 PolarHBondContact O-N 3.09Å; Y443-Y510 WeakPolarHBondContact OH-CD1 3.32Å; Y443-Y510 VanDerWaalsContact OH-CG 3.31Å
444	Q	94.9	Very high	85.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.3	178.5	-172.7	164	-79.4	0	0	110.6	E456 I458 L466 T507 E508 S509 L562	Q444-E456 PolarHBondContact NE2-O 3.47Å; Q444-I458 HydrophobicContact CB-CB 3.89Å; Q444-I458 HydrophobicContact CB-CD1 4.35Å; Q444-I458 HydrophobicContact CB-CG1 4.15Å; Q444-I458 PolarHBondContact N-O 2.8Å; Q444-I458 PolarHBondContact O-N 3.24Å; Q444-L466 WeakPolarHBondContact O-CD2 3.12Å; Q444-T507 HydrophobicContact CG-CG2 4.14Å; Q444-E508 CarbonylContact C-O 3.56Å; Q444-E508 VanDerWaalsContact CA-O 3.29Å; Q444-E508 WeakPolarHBondContact CA-O 3.31Å; Q444-S509 PolarHBondContact OE1-OG 2.79Å; Q444-L562 HydrophobicContact CB-CD1 4.02Å
445	K	94.1	Very high	86.8	Confident	75 Å²	75	42.2 Å²	42.2	33%	0.326	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	147.8	170.9	-60.9	-178.8	173.8	174	0	109	Y443 L466 T507 E508 Y510	Y443-K445 HydrophobicContact CD2-CG 4.3Å; Y443-K445 HydrophobicContact CE2-CD 4.41Å; Y443-K445 HydrophobicContact CE2-CG 4.07Å; K445-L466 HydrophobicContact CG-CB 4.28Å; K445-L466 HydrophobicContact CG-CD1 4.22Å; K445-T507 CarbonylContact O-C 3.57Å; K445-T507 WeakPolarHBondContact O-CA 3.45Å; K445-E508 HydrophobicContact CB-CB 4.49Å; K445-E508 PolarHBondContact N-O 3.23Å; K445-E508 PolarHBondContact O-N 2.97Å; K445-Y510 HydrophobicContact CD-CE2 4Å; K445-Y510 HydrophobicContact CG-CE2 4.23Å
446	C	92.4	Very high	88.3	Confident	24 Å²	24	41.5 Å²	41.5	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	169.1	-172.8	0	0	0	0	109.9	C453 E456 T457 I506 T507	C446-C453 VanDerWaalsContact C-SG 3.57Å; C446-C453 HydrophobicContact CB-CB 3.63Å; C446-C453 WeakPolarHBondContact CB-SG 3.5Å; C446-C453 WeakPolarHBondContact SG-CA 3.45Å; C446-C453 WeakPolarHBondContact SG-CB 3.4Å; C446-C453 CovalentContact SG-SG 2.05Å; C446-C453 PolarHBondContact SG-SG 2.9Å; C446-E456 HydrophobicContact CB-CB 4.34Å; C446-T457 VanDerWaalsContact CB-OG1 3.29Å; C446-T457 WeakPolarHBondContact CB-OG1 3.3Å; C446-I506 CarbonylContact C-O 3.58Å; C446-I506 WeakPolarHBondContact CA-O 3.47Å; C446-T507 HydrophobicContact CB-CG2 4.16Å
447	T	89	Confident	89.6	Confident	56 Å²	56	41 Å²	41	34%	0.344	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.5	175.7	55.1	0	0	0	0	108.7	R225 I506	R225-T447 VanDerWaalsContact NH2-CB 3.25Å; R225-T447 PolarHBondContact NH2-O 2.9Å; R225-T447 PolarHBondContact NH2-OG1 2.96Å; T447-I506 PolarHBondContact N-O 3.5Å; T447-I506 PolarHBondContact O-N 3.21Å; T447-I506 PolarHBondContact OG1-O 2.85Å
448	G	85.4	Confident	90.4	Very high	36 Å²	36	41.4 Å²	41.4	37%	0.371	24%	0.244	S	C	.	.	S	Bend	trans	152.2	-174.1	-173.6	0	0	0	0	0	110.9	C504	G448-C504 WeakPolarHBondContact CA-O 3.48Å
449	P	85.6	Confident	90.8	Very high	26 Å²	26	41.2 Å²	41.2	17%	0.169	25%	0.251	C	S	.	.			trans	-57.3	142	172.5	-28.2	39.8	0	0	0	112.5	D451 L452 C453 Y486 Q503	P449-D451 VanDerWaalsContact C-N 3.27Å; P449-D451 WeakPolarHBondContact CB-OD1 3.3Å; P449-D451 PolarHBondContact O-N 3.33Å; P449-L452 HydrophobicContact CB-CG 4.34Å; P449-L452 HydrophobicContact CG-CD1 4.32Å; P449-L452 PolarHBondContact O-N 3.01Å; P449-L452 VanDerWaalsContact O-N 3.11Å; P449-C453 PolarHBondContact O-N 3.38Å; P449-Y486 HydrophobicContact CB-CE1 4.16Å; P449-Y486 HydrophobicContact CG-CE1 3.85Å; P449-Q503 HydrophobicContact CG-CB 3.68Å; P449-Q503 HydrophobicContact CG-CG 4.43Å
450	D	87.7	Confident	90.9	Very high	145 Å²	145	41.2 Å²	41.2	78%	0.775	25%	0.25	S	S	*	.	H	α-helix	trans	-59.8	-36.8	-173.6	-70.9	-27.7	0	0	0	112.6	C453 L454	D450-C453 PolarHBondContact O-N 3.1Å; D450-L454 WeakPolarHBondContact O-CB 3.4Å; D450-L454 PolarHBondContact O-N 2.82Å
451	D	87.3	Confident	90.8	Very high	101 Å²	101	43.9 Å²	43.9	54%	0.54	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-39.5	176.8	63.1	-41	0	0	0	112.4	P449 L454	P449-D451 VanDerWaalsContact C-N 3.27Å; P449-D451 WeakPolarHBondContact CB-OD1 3.3Å; P449-D451 PolarHBondContact O-N 3.33Å; D451-L454 WeakPolarHBondContact O-CB 3.48Å
452	L	86.2	Confident	90.5	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-74.8	-35	174.5	-64.3	-171.7	0	0	0	112.9	P449 L454 E456 K484 Y486 A505	P449-L452 HydrophobicContact CB-CG 4.34Å; P449-L452 HydrophobicContact CG-CD1 4.32Å; P449-L452 PolarHBondContact O-N 3.01Å; P449-L452 VanDerWaalsContact O-N 3.11Å; L452-L454 VanDerWaalsContact C-N 3.28Å; L452-E456 WeakPolarHBondContact O-CG 3.11Å; L452-K484 HydrophobicContact CD2-CB 4.32Å; L452-Y486 HydrophobicContact CD1-CD1 3.51Å; L452-Y486 HydrophobicContact CD1-CE1 3.54Å; L452-Y486 HydrophobicContact CD2-CD1 3.74Å; L452-Y486 HydrophobicContact CD2-CE1 4.08Å; L452-Y486 HydrophobicContact CG-CD1 3.74Å; L452-Y486 HydrophobicContact CG-CE1 3.63Å; L452-A505 HydrophobicContact CB-CB 3.65Å; L452-A505 HydrophobicContact CD1-CB 4.36Å
453	C	90.9	Very high	90.3	Very high	10 Å²	10	49 Å²	49	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-80.5	-11.7	179.7	-81.1	0	0	0	0	113.1	C446 P449 D450 G455 E456 T457	C446-C453 VanDerWaalsContact C-SG 3.57Å; C446-C453 HydrophobicContact CB-CB 3.63Å; C446-C453 WeakPolarHBondContact CB-SG 3.5Å; C446-C453 WeakPolarHBondContact SG-CA 3.45Å; C446-C453 WeakPolarHBondContact SG-CB 3.4Å; C446-C453 CovalentContact SG-SG 2.05Å; C446-C453 PolarHBondContact SG-SG 2.9Å; P449-C453 PolarHBondContact O-N 3.38Å; D450-C453 PolarHBondContact O-N 3.1Å; C453-G455 PolarHBondContact O-N 2.82Å; C453-E456 PolarHBondContact O-N 3.07Å; C453-T457 PolarHBondContact O-N 2.91Å; C453-T457 PolarHBondContact O-OG1 2.94Å
454	L	89.2	Confident	90.1	Very high	141 Å²	141	51.4 Å²	51.4	74%	0.738	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	119.3	173	-168.3	69.7	0	0	0	110.1	D450 D451 L452 E456	D450-L454 WeakPolarHBondContact O-CB 3.4Å; D450-L454 PolarHBondContact O-N 2.82Å; D451-L454 WeakPolarHBondContact O-CB 3.48Å; L452-L454 VanDerWaalsContact C-N 3.28Å; L454-E456 VanDerWaalsContact C-N 3.26Å; L454-E456 PolarHBondContact O-N 3.11Å
455	G	85.8	Confident	90	Very high	66 Å²	66	55.2 Å²	55.2	68%	0.68	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-8.1	-176.2	0	0	0	0	0	115.2	C453	C453-G455 PolarHBondContact O-N 2.82Å
456	E	89.7	Confident	90	Very high	13 Å²	13	54 Å²	54	6%	0.061	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-23.5	172.5	-57.3	-64.5	167.1	0	0	112	Q444 C446 L452 C453 L454 R483 K484 T507	Q444-E456 PolarHBondContact NE2-O 3.47Å; C446-E456 HydrophobicContact CB-CB 4.34Å; L452-E456 WeakPolarHBondContact O-CG 3.11Å; C453-E456 PolarHBondContact O-N 3.07Å; L454-E456 VanDerWaalsContact C-N 3.26Å; L454-E456 PolarHBondContact O-N 3.11Å; E456-R483 HydrophobicContact CG-CB 4.4Å; E456-R483 HydrophobicContact CG-CG 4.44Å; E456-R483 IonicContact OE1-NE 3.17Å; E456-R483 IonicContact OE1-NH2 2.82Å; E456-R483 IonicContact OE2-CZ 2.74Å; E456-R483 VanDerWaalsContact OE2-CZ 3.29Å; E456-R483 IonicContact OE2-NE 3.89Å; E456-R483 PolarHBondContact OE2-NE 3Å; E456-R483 IonicContact OE2-NH2 3.48Å; E456-R483 PolarHBondContact OE2-NH2 2.74Å; E456-K484 WeakPolarHBondContact OE1-CE 3.24Å; E456-K484 IonicContact OE1-NZ 3.36Å; E456-K484 PolarHBondContact OE1-NZ 3.4Å; E456-T507 HydrophobicContact CB-CG2 3.84Å
457	T	93.8	Very high	90	Very high	58 Å²	58	57.7 Å²	57.7	36%	0.356	35%	0.354	S	S	.	.			trans	-80.2	127.2	172.2	-55.8	0	0	0	0	110.3	C446 C453 L466	C446-T457 VanDerWaalsContact CB-OG1 3.29Å; C446-T457 WeakPolarHBondContact CB-OG1 3.3Å; C453-T457 PolarHBondContact O-N 2.91Å; C453-T457 PolarHBondContact O-OG1 2.94Å; T457-L466 HydrophobicContact CG2-CD1 4.07Å; T457-L466 HydrophobicContact CG2-CD2 3.83Å; T457-L466 HydrophobicContact CG2-CG 4.48Å
458	I	94.5	Very high	90.1	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-129.5	107.4	-174.2	-54.9	179.8	0	0	0	108.4	Y443 Q444 I560 T561	Y443-I458 CarbonylContact C-O 3.53Å; Y443-I458 VanDerWaalsContact CA-O 3.25Å; Y443-I458 WeakPolarHBondContact CA-O 3.32Å; Y443-I458 VanDerWaalsContact CB-O 3.31Å; Y443-I458 WeakPolarHBondContact CB-O 3.1Å; Q444-I458 HydrophobicContact CB-CB 3.89Å; Q444-I458 HydrophobicContact CB-CD1 4.35Å; Q444-I458 HydrophobicContact CB-CG1 4.15Å; Q444-I458 PolarHBondContact N-O 2.8Å; Q444-I458 PolarHBondContact O-N 3.24Å; I458-I560 HydrophobicContact CG2-CG2 3.79Å; I458-T561 WeakPolarHBondContact CD1-O 3.27Å; I458-T561 WeakPolarHBondContact CD1-OG1 3.46Å
459	P	94.7	Very high	90.3	Very high	64 Å²	64	55.1 Å²	55.1	42%	0.416	33%	0.332	S	S	.	.			trans	-70.4	153.3	179.5	28.8	-33.6	0	0	0	111.4	P461	P459-P461 WeakPolarHBondContact O-CD 3.14Å
460	N	93.7	Very high	90.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-67.7	120.5	168.8	-179.5	-13.5	0	0	0	108.1	G440 V442 Y443 L462 T463 G464 D465 F467 C512	G440-N460 PolarHBondContact O-ND2 2.98Å; V442-N460 WeakPolarHBondContact O-CA 3.37Å; Y443-N460 HydrophobicContact CD1-CB 4.35Å; N460-L462 PolarHBondContact O-N 3.49Å; N460-L462 PolarHBondContact OD1-N 2.82Å; N460-T463 WeakPolarHBondContact CB-OG1 3.43Å; N460-T463 PolarHBondContact O-N 3.27Å; N460-T463 VanDerWaalsContact O-N 3.11Å; N460-T463 PolarHBondContact O-OG1 3.34Å; N460-G464 WeakPolarHBondContact O-CA 3.25Å; N460-G464 PolarHBondContact O-N 3.35Å; N460-D465 WeakPolarHBondContact CB-O 3.49Å; N460-D465 PolarHBondContact N-O 2.97Å; N460-F467 PolarHBondContact ND2-O 2.84Å; N460-C512 PolarHBondContact ND2-SG 3.09Å; N460-C512 VanDerWaalsContact ND2-SG 3.38Å
461	P	88.9	Confident	90.2	Very high	57 Å²	57	57.2 Å²	57.2	37%	0.37	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.6	-174.2	7.8	-4.4	0	0	0	114	P459 Y533 I560	P459-P461 WeakPolarHBondContact O-CD 3.14Å; P461-Y533 WeakPolarHBondContact CB-OH 3.32Å; P461-Y533 HydrophobicContact CG-CE2 4.19Å; P461-Y533 PolarHBondContact O-OH 3.33Å; P461-I560 HydrophobicContact CG-CD1 3.43Å; P461-I560 VanDerWaalsContact CG-CD1 3.43Å
462	L	86.2	Confident	90.2	Very high	63 Å²	63	53.6 Å²	53.6	33%	0.33	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-37	172.7	-81.2	170.6	0	0	0	113.1	N460 Y533	N460-L462 PolarHBondContact O-N 3.49Å; N460-L462 PolarHBondContact OD1-N 2.82Å; L462-Y533 HydrophobicContact CB-CE2 4.27Å; L462-Y533 HydrophobicContact CD1-CD2 4Å; L462-Y533 HydrophobicContact CD1-CE2 3.75Å; L462-Y533 HydrophobicContact CD2-CE2 4.17Å; L462-Y533 HydrophobicContact CG-CD2 4.1Å; L462-Y533 HydrophobicContact CG-CE2 3.38Å; L462-Y533 WeakPolarHBondContact CG-OH 3.35Å; L462-Y533 PolarHBondContact N-OH 3.03Å
463	T	90.5	Very high	90.4	Very high	43 Å²	43	54.4 Å²	54.4	26%	0.264	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-19.9	-174.4	58.3	0	0	0	0	112.2	N460 D465 F467	N460-T463 WeakPolarHBondContact CB-OG1 3.43Å; N460-T463 PolarHBondContact O-N 3.27Å; N460-T463 VanDerWaalsContact O-N 3.11Å; N460-T463 PolarHBondContact O-OG1 3.34Å; T463-D465 PolarHBondContact O-N 3.49Å; T463-D465 PolarHBondContact OG1-N 2.56Å; T463-D465 PolarHBondContact OG1-O 3.41Å; T463-F467 HydrophobicContact CG2-CD2 3.92Å; T463-F467 HydrophobicContact CG2-CE2 3.64Å; T463-F467 HydrophobicContact CG2-CZ 4.46Å; T463-F467 PolarHBondContact OG1-O 2.92Å
464	G	91.1	Very high	90.4	Very high	57 Å²	57	56 Å²	56	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	8.8	-169.9	0	0	0	0	0	113.4	N460	N460-G464 WeakPolarHBondContact O-CA 3.25Å; N460-G464 PolarHBondContact O-N 3.35Å
465	D	93.3	Very high	90.5	Very high	80 Å²	80	50 Å²	50	43%	0.428	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-141.8	178.2	-169.9	-154.2	-22.7	0	0	0	111.2	N460 T463 F467	N460-D465 WeakPolarHBondContact CB-O 3.49Å; N460-D465 PolarHBondContact N-O 2.97Å; T463-D465 PolarHBondContact O-N 3.49Å; T463-D465 PolarHBondContact OG1-N 2.56Å; T463-D465 PolarHBondContact OG1-O 3.41Å; D465-F467 HydrophobicContact CB-CD1 3.66Å; D465-F467 HydrophobicContact CB-CE1 3.35Å; D465-F467 HydrophobicContact CB-CZ 4.03Å; D465-F467 VanDerWaalsContact CG-CE1 3.43Å; D465-F467 PolarHBondContact O-N 3.08Å; D465-F467 VanDerWaalsContact O-N 3.16Å; D465-F467 VanDerWaalsContact OD2-CE1 3.24Å; D465-F467 WeakPolarHBondContact OD2-CE1 3.46Å
466	L	93.8	Very high	90.7	Very high	50 Å²	50	47.2 Å²	47.2	26%	0.262	28%	0.276	S	S	.	.	S	Bend	trans	-88.2	37.7	-173.4	-58.2	174.1	0	0	0	113.1	Y443 Q444 K445 T457	Y443-L466 HydrophobicContact CD2-CB 4.24Å; Y443-L466 HydrophobicContact CD2-CD2 4.34Å; Y443-L466 VanDerWaalsContact CE2-O 3.27Å; Y443-L466 WeakPolarHBondContact CE2-O 3.34Å; Q444-L466 WeakPolarHBondContact O-CD2 3.12Å; K445-L466 HydrophobicContact CG-CB 4.28Å; K445-L466 HydrophobicContact CG-CD1 4.22Å; T457-L466 HydrophobicContact CG2-CD1 4.07Å; T457-L466 HydrophobicContact CG2-CD2 3.83Å; T457-L466 HydrophobicContact CG2-CG 4.48Å
467	F	93.1	Very high	90.7	Very high	101 Å²	101	46.6 Å²	46.6	44%	0.443	27%	0.274	S	S	.	.	S	Bend	trans	-145	162.3	178.8	63.7	-101.1	0	0	0	112.7	N460 T463 D465	N460-F467 PolarHBondContact ND2-O 2.84Å; T463-F467 HydrophobicContact CG2-CD2 3.92Å; T463-F467 HydrophobicContact CG2-CE2 3.64Å; T463-F467 HydrophobicContact CG2-CZ 4.46Å; T463-F467 PolarHBondContact OG1-O 2.92Å; D465-F467 HydrophobicContact CB-CD1 3.66Å; D465-F467 HydrophobicContact CB-CE1 3.35Å; D465-F467 HydrophobicContact CB-CZ 4.03Å; D465-F467 VanDerWaalsContact CG-CE1 3.43Å; D465-F467 PolarHBondContact O-N 3.08Å; D465-F467 VanDerWaalsContact O-N 3.16Å; D465-F467 VanDerWaalsContact OD2-CE1 3.24Å; D465-F467 WeakPolarHBondContact OD2-CE1 3.46Å
468	C	92	Very high	90.3	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.108	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.5	144.6	176.7	-61.7	0	0	0	0	112.7	S474 C512	C468-S474 PolarHBondContact SG-OG 3.18Å; C468-C512 WeakPolarHBondContact CA-SG 3.48Å; C468-C512 HydrophobicContact CB-CB 3.77Å; C468-C512 WeakPolarHBondContact CB-SG 3.39Å; C468-C512 WeakPolarHBondContact SG-CA 3.45Å; C468-C512 WeakPolarHBondContact SG-CB 3.32Å; C468-C512 CovalentContact SG-SG 2.03Å; C468-C512 PolarHBondContact SG-SG 3.08Å
469	S	89.8	Confident	89.7	Confident	22 Å²	22	43.3 Å²	43.3	15%	0.154	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.2	161.1	172.9	56.5	0	0	0	0	112.2	G471 Y472	S469-G471 PolarHBondContact O-N 3.21Å; S469-Y472 PolarHBondContact O-N 2.93Å; S469-Y472 VanDerWaalsContact O-N 3.11Å; S469-Y472 WeakPolarHBondContact OG-CD2 3.34Å
470	Q	85.3	Confident	89.2	Confident	189 Å²	189	42.2 Å²	42.2	88%	0.883	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	136	173.8	-170.9	176.3	4	0	0	111.4
471	G	83.9	Confident	88.5	Confident	27 Å²	27	42.5 Å²	42.5	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-7.1	-176.8	0	0	0	0	0	115	S469 D515	S469-G471 PolarHBondContact O-N 3.21Å; G471-D515 PolarHBondContact O-N 3.44Å
472	Y	88.6	Confident	88.1	Confident	24 Å²	24	40.2 Å²	40.2	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.2	177.3	-64.1	-97.1	0	0	0	111.7	S469 C512 S513 R514 S531	S469-Y472 PolarHBondContact O-N 2.93Å; S469-Y472 VanDerWaalsContact O-N 3.11Å; S469-Y472 WeakPolarHBondContact OG-CD2 3.34Å; Y472-C512 HydrophobicContact CD1-CB 4.33Å; Y472-C512 WeakPolarHBondContact CD1-O 3.39Å; Y472-C512 HydrophobicContact CG-CB 4.4Å; Y472-S513 CarbonylContact C-O 3.6Å; Y472-S513 WeakPolarHBondContact CA-O 3.31Å; Y472-S513 WeakPolarHBondContact CB-O 3.43Å; Y472-S513 VanDerWaalsContact CD1-C 3.47Å; Y472-S513 WeakPolarHBondContact CD1-O 3.36Å; Y472-R514 HydrophobicContact CD1-CB 4.49Å; Y472-R514 HydrophobicContact CE1-CB 4.42Å; Y472-S531 WeakPolarHBondContact CE2-O 3.05Å; Y472-S531 VanDerWaalsContact CZ-O 3.31Å; Y472-S531 PolarHBondContact OH-O 2.84Å
473	V	89.2	Confident	88	Confident	40 Å²	40	40.2 Å²	40.2	24%	0.242	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	175.9	64.7	0	0	0	0	110	I475 S513	V473-I475 HydrophobicContact CG1-CD1 4.03Å; V473-I475 HydrophobicContact CG1-CG1 4.37Å; V473-I475 PolarHBondContact O-N 2.9Å; V473-S513 PolarHBondContact N-O 3.48Å; V473-S513 PolarHBondContact O-N 3.34Å
474	S	91.7	Very high	87.5	Confident	44 Å²	44	43.2 Å²	43.2	31%	0.308	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.6	175.7	-65.4	0	0	0	0	111	Y443 C468	Y443-S474 WeakPolarHBondContact CE1-OG 3.43Å; Y443-S474 WeakPolarHBondContact OH-CB 2.97Å; Y443-S474 PolarHBondContact OH-OG 3.24Å; C468-S474 PolarHBondContact SG-OG 3.18Å
475	I	90.9	Very high	87	Confident	15 Å²	15	40.8 Å²	40.8	8%	0.077	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.3	173.2	-53.8	-62.8	0	0	0	108.2	V473 L477 Y510 W511 P595	V473-I475 HydrophobicContact CG1-CD1 4.03Å; V473-I475 HydrophobicContact CG1-CG1 4.37Å; V473-I475 PolarHBondContact O-N 2.9Å; I475-L477 PolarHBondContact O-N 3.09Å; I475-Y510 WeakPolarHBondContact O-CA 2.95Å; I475-W511 HydrophobicContact CB-CG 4.49Å; I475-W511 PolarHBondContact N-O 2.8Å; I475-W511 VanDerWaalsContact O-CD1 3.26Å; I475-W511 PolarHBondContact O-N 2.86Å; I475-P595 HydrophobicContact CD1-CG 4.07Å; I475-P595 HydrophobicContact CG1-CG 3.99Å
476	Q	89.7	Confident	86.3	Confident	7 Å²	7	39.3 Å²	39.3	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	121.7	175.5	-174.4	173.4	-0.7	0	0	109.2	L478 Y510 Y591 S592	Q476-L478 VanDerWaalsContact CG-O 3.26Å; Q476-L478 WeakPolarHBondContact CG-O 3.38Å; Q476-L478 PolarHBondContact NE2-O 3.36Å; Q476-Y510 HydrophobicContact CB-CD1 3.92Å; Q476-Y510 HydrophobicContact CB-CE1 3.66Å; Q476-Y510 HydrophobicContact CG-CE1 4.17Å; Q476-Y591 HydrophobicContact CB-CE1 4.28Å; Q476-Y591 HydrophobicContact CG-CD1 4.29Å; Q476-Y591 HydrophobicContact CG-CE1 4.03Å; Q476-S592 WeakPolarHBondContact O-CB 3.49Å; Q476-S592 PolarHBondContact O-OG 3.44Å
477	L	89.7	Confident	85.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.			trans	-89.8	-43.3	-175.8	-172.8	57.3	0	0	0	111.9	I475 S509 L562 M566 F587 S589 V713	I475-L477 PolarHBondContact O-N 3.09Å; L477-S509 PolarHBondContact N-O 3.24Å; L477-L562 HydrophobicContact CD2-CD2 3.91Å; L477-M566 HydrophobicContact CD2-CE 3.85Å; L477-F587 HydrophobicContact CD1-CB 3.66Å; L477-F587 HydrophobicContact CD1-CG 4.33Å; L477-S589 WeakPolarHBondContact O-CB 3.42Å; L477-S589 PolarHBondContact O-OG 3.1Å; L477-V713 HydrophobicContact CD1-CG1 3.85Å; L477-V713 HydrophobicContact CD2-CG1 4.11Å; L477-V713 HydrophobicContact CG-CG1 4.09Å
478	L	87	Confident	84.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-118.7	149.3	-176.2	-70.4	172.2	0	0	0	110.6	Q476 E708 C711 V713	Q476-L478 VanDerWaalsContact CG-O 3.26Å; Q476-L478 WeakPolarHBondContact CG-O 3.38Å; Q476-L478 PolarHBondContact NE2-O 3.36Å; L478-E708 HydrophobicContact CD1-CB 4.26Å; L478-E708 HydrophobicContact CD1-CG 4.03Å; L478-E708 HydrophobicContact CD2-CB 3.67Å; L478-E708 HydrophobicContact CD2-CG 4.1Å; L478-C711 HydrophobicContact CD2-CB 4.18Å; L478-V713 HydrophobicContact CD2-CG2 3.41Å; L478-V713 VanDerWaalsContact CD2-CG2 3.41Å; L478-V713 HydrophobicContact CG-CG2 4.34Å
479	P	81	Confident	83.9	Confident	11 Å²	11	38.9 Å²	38.9	7%	0.071	21%	0.209	C	C	.	.			trans	-61.8	167.3	167.3	28.4	-34.2	0	0	0	111.5	G218 Q481 Y591 C711	G218-P479 WeakPolarHBondContact O-CB 3.37Å; P479-Q481 PolarHBondContact O-N 3.49Å; P479-Y591 HydrophobicContact CB-CD2 4.31Å; P479-C711 HydrophobicContact CG-CB 4.37Å
480	Q	83.4	Confident	83.2	Confident	41 Å²	41	42.8 Å²	42.8	19%	0.192	23%	0.228	C	C	.	.			trans	-57	129.3	174	-76.4	179.1	7.1	0	0	111	I506 T507 E508	Q480-I506 HydrophobicContact CB-CG2 3.91Å; Q480-I506 HydrophobicContact CG-CG2 4.23Å; Q480-T507 WeakPolarHBondContact CA-O 3.39Å; Q480-E508 HydrophobicContact CG-CG 3.61Å; Q480-E508 WeakPolarHBondContact CG-OE1 3.44Å; Q480-E508 PolarHBondContact NE2-OE1 3.23Å
481	Q	80.4	Confident	82.4	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	179.6	-67.5	-174.9	-52.6	0	0	111	P479 I506 T507 G563 D709	P479-Q481 PolarHBondContact O-N 3.49Å; Q481-I506 CarbonylContact O-C 3.59Å; Q481-I506 WeakPolarHBondContact O-CA 3.27Å; Q481-T507 PolarHBondContact N-O 3.04Å; Q481-T507 PolarHBondContact O-N 2.94Å; Q481-T507 PolarHBondContact O-OG1 3.14Å; Q481-G563 VanDerWaalsContact OE1-CA 3.24Å; Q481-D709 PolarHBondContact NE2-OD2 2.92Å
482	V	80.9	Confident	81.6	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.5	167.4	-176.3	0	0	0	0	108.8	L224 L239 C485 C504 I506 R564 I739	L224-V482 HydrophobicContact CD1-CG2 3.13Å; L224-V482 HydrophobicContact CD2-CG2 4.28Å; L224-V482 HydrophobicContact CG-CG2 4.28Å; L239-V482 HydrophobicContact CD2-CG2 3.75Å; V482-C485 WeakPolarHBondContact CG1-SG 3.26Å; V482-C504 HydrophobicContact CG1-CB 4.2Å; V482-I506 HydrophobicContact CG2-CG1 4.46Å; V482-R564 PolarHBondContact O-NH2 3.12Å; V482-I739 HydrophobicContact CB-CD1 4.16Å; V482-I739 HydrophobicContact CG1-CD1 4.31Å; V482-I739 HydrophobicContact CG1-CG2 4.19Å
483	R	82.3	Confident	80.5	Confident	62 Å²	62	51.3 Å²	51.3	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-64.7	-176.6	-57.9	-63.2	-70.6	143.8	-1.3	111.1	E456 A505 T507 R564	E456-R483 HydrophobicContact CG-CB 4.4Å; E456-R483 HydrophobicContact CG-CG 4.44Å; E456-R483 IonicContact OE1-NE 3.17Å; E456-R483 IonicContact OE1-NH2 2.82Å; E456-R483 IonicContact OE2-CZ 2.74Å; E456-R483 VanDerWaalsContact OE2-CZ 3.29Å; E456-R483 IonicContact OE2-NE 3.89Å; E456-R483 PolarHBondContact OE2-NE 3Å; E456-R483 IonicContact OE2-NH2 3.48Å; E456-R483 PolarHBondContact OE2-NH2 2.74Å; R483-A505 HydrophobicContact CB-CB 4.26Å; R483-A505 PolarHBondContact N-O 3.32Å; R483-T507 WeakPolarHBondContact CD-OG1 3.26Å; R483-T507 HydrophobicContact CG-CG2 3.49Å; R483-T507 VanDerWaalsContact CG-CG2 3.49Å; R483-T507 WeakPolarHBondContact CG-OG1 3.48Å; R483-R564 VanDerWaalsContact NH1-CG 3.27Å
484	K	81.3	Confident	79.7	Confident	106 Å²	106	60.1 Å²	60.1	46%	0.461	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.8	-176.7	-61.4	174.6	-169	162.3	0	108.2	L452 E456 C504 A505	L452-K484 HydrophobicContact CD2-CB 4.32Å; E456-K484 WeakPolarHBondContact OE1-CE 3.24Å; E456-K484 IonicContact OE1-NZ 3.36Å; E456-K484 PolarHBondContact OE1-NZ 3.4Å; K484-C504 CarbonylContact O-C 3.55Å; K484-C504 VanDerWaalsContact O-CA 3.25Å; K484-C504 WeakPolarHBondContact O-CA 3.17Å; K484-A505 PolarHBondContact O-N 3.42Å
485	C	79.9	Confident	78.7	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.2	174.1	-56.7	0	0	0	0	110	F236 V482 T502 Q503 C504	F236-C485 HydrophobicContact CE2-CB 3.84Å; F236-C485 WeakPolarHBondContact CE2-SG 3.33Å; F236-C485 HydrophobicContact CZ-CB 4.08Å; V482-C485 WeakPolarHBondContact CG1-SG 3.26Å; C485-T502 HydrophobicContact CB-CG2 4.03Å; C485-Q503 CarbonylContact C-O 3.56Å; C485-Q503 WeakPolarHBondContact CA-O 2.96Å; C485-C504 HydrophobicContact CB-CB 4.11Å; C485-C504 WeakPolarHBondContact CB-SG 3.49Å; C485-C504 WeakPolarHBondContact SG-CB 3.49Å; C485-C504 CovalentContact SG-SG 2.04Å; C485-C504 PolarHBondContact SG-SG 2.87Å
486	Y	78.1	Confident	77.4	Confident	49 Å²	49	73.4 Å²	73.4	19%	0.192	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.1	166.4	68.9	-77	0	0	0	109.6	P449 L452 V488 T502 Q503	P449-Y486 HydrophobicContact CB-CE1 4.16Å; P449-Y486 HydrophobicContact CG-CE1 3.85Å; L452-Y486 HydrophobicContact CD1-CD1 3.51Å; L452-Y486 HydrophobicContact CD1-CE1 3.54Å; L452-Y486 HydrophobicContact CD2-CD1 3.74Å; L452-Y486 HydrophobicContact CD2-CE1 4.08Å; L452-Y486 HydrophobicContact CG-CD1 3.74Å; L452-Y486 HydrophobicContact CG-CE1 3.63Å; Y486-V488 HydrophobicContact CD2-CG2 3.43Å; Y486-V488 VanDerWaalsContact CD2-CG2 3.43Å; Y486-V488 HydrophobicContact CE2-CG2 3.04Å; Y486-T502 WeakPolarHBondContact O-CA 3.31Å; Y486-Q503 HydrophobicContact CD1-CB 4.33Å; Y486-Q503 HydrophobicContact CE1-CB 3.79Å; Y486-Q503 PolarHBondContact N-O 2.9Å; Y486-Q503 PolarHBondContact O-N 2.98Å; Y486-Q503 PolarHBondContact OH-OE1 3.49Å
487	S	74.6	Confident	76.3	Confident	47 Å²	47	80 Å²	80	33%	0.329	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.3	175.8	-60.9	0	0	0	0	108.6
488	V	74.7	Confident	75.3	Confident	47 Å²	47	82.5 Å²	82.5	29%	0.285	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.7	171	-174.6	0	0	0	0	107.9	Y486 C500 T501	Y486-V488 HydrophobicContact CD2-CG2 3.43Å; Y486-V488 VanDerWaalsContact CD2-CG2 3.43Å; Y486-V488 HydrophobicContact CE2-CG2 3.04Å; V488-C500 CarbonylContact O-C 3.39Å; V488-C500 WeakPolarHBondContact O-CA 2.65Å; V488-T501 PolarHBondContact N-O 3.4Å; V488-T501 PolarHBondContact O-N 3.18Å
489	C	78.9	Confident	74.5	Confident	64 Å²	64	89.1 Å²	89.1	43%	0.432	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.3	176.8	-58.1	0	0	0	0	110.2	P498 E499 C500	C489-P498 HydrophobicContact CB-CB 4.21Å; C489-E499 WeakPolarHBondContact CA-O 3.1Å; C489-C500 HydrophobicContact CB-CB 4.08Å; C489-C500 WeakPolarHBondContact CB-SG 3.45Å; C489-C500 WeakPolarHBondContact SG-CB 3.3Å; C489-C500 CovalentContact SG-SG 2.04Å; C489-C500 PolarHBondContact SG-SG 3.02Å
490	D	75.3	Confident	74.1	Confident	104 Å²	104	90.2 Å²	90.2	56%	0.556	44%	0.438	S	S	*	.			trans	-59.1	152.9	169.7	-74	-22	0	0	0	110.5	K492 P498 E499	D490-K492 PolarHBondContact O-N 3.39Å; D490-P498 WeakPolarHBondContact O-CB 2.89Å; D490-E499 PolarHBondContact N-O 3.12Å
491	E	69.6	Low	73.7	Confident	189 Å²	189	91.6 Å²	91.6	88%	0.883	45%	0.449	S	S	*	.			trans	-57	133.6	176.4	-73.7	-168.9	169.5	0	0	110.9	S493	E491-S493 PolarHBondContact O-N 3.29Å
492	K	66.7	Low	73.5	Confident	166 Å²	166	91.7 Å²	91.7	72%	0.722	45%	0.45	S	S	*	.			trans	-61.8	109	-179.6	-174.9	176.8	-177.9	178.6	0	109.9	D490	D490-K492 PolarHBondContact O-N 3.39Å
493	S	65.1	Low	73.4	Confident	65 Å²	65	94.8 Å²	94.8	46%	0.455	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-78.9	144.6	168.4	-174	0	0	0	0	110	E491 F495 K496	E491-S493 PolarHBondContact O-N 3.29Å; S493-F495 PolarHBondContact O-N 3.47Å; S493-K496 PolarHBondContact O-N 3.07Å; S493-K496 VanDerWaalsContact O-N 3.08Å
494	W	72.2	Confident	73.4	Confident	225 Å²	225	92 Å²	92	85%	0.852	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-30	-179.2	163.3	-68.3	0	0	0	113.3
495	F	70.8	Confident	73.7	Confident	178 Å²	178	87 Å²	87	78%	0.781	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-2	-176.6	-60.6	-75.8	0	0	0	114.9	S493	S493-F495 PolarHBondContact O-N 3.47Å
496	K	63.6	Low	74	Confident	159 Å²	159	86.8 Å²	86.8	69%	0.691	43%	0.43	S	S	*	.	B	Isolated β-bridge	trans	-137.1	136.2	-174.8	-69.2	-175.2	177.3	-177	0	111.1	S493	S493-K496 PolarHBondContact O-N 3.07Å; S493-K496 VanDerWaalsContact O-N 3.08Å
497	N	66	Low	74.5	Confident	147 Å²	147	84.4 Å²	84.4	79%	0.786	42%	0.421	S	S	*	.			trans	-60.5	140.5	165.6	-71.9	-18.8	0	0	0	108.5	E499	N497-E499 PolarHBondContact O-N 2.95Å
498	P	68.7	Low	75.2	Confident	52 Å²	52	83.3 Å²	83.3	34%	0.338	41%	0.411	S	S	.	.			trans	-59.5	128	179.7	26.6	-33.9	0	0	0	109	C489 D490 C500	C489-P498 HydrophobicContact CB-CB 4.21Å; D490-P498 WeakPolarHBondContact O-CB 2.89Å; P498-C500 PolarHBondContact O-N 3.38Å
499	E	71.3	Confident	76	Confident	138 Å²	138	81 Å²	81	65%	0.645	40%	0.397	S	S	*	.			trans	-78.8	115.5	174.8	-170.1	166	-177.2	0	0	107.2	C489 D490 N497	C489-E499 WeakPolarHBondContact CA-O 3.1Å; D490-E499 PolarHBondContact N-O 3.12Å; N497-E499 PolarHBondContact O-N 2.95Å
500	C	72.6	Confident	76.7	Confident	35 Å²	35	78.7 Å²	78.7	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.9	177.5	-54.8	0	0	0	0	109.9	N233 V488 C489 P498	N233-C500 PolarHBondContact ND2-O 3.15Å; N233-C500 PolarHBondContact OD1-O 3.13Å; V488-C500 CarbonylContact O-C 3.39Å; V488-C500 WeakPolarHBondContact O-CA 2.65Å; C489-C500 HydrophobicContact CB-CB 4.08Å; C489-C500 WeakPolarHBondContact CB-SG 3.45Å; C489-C500 WeakPolarHBondContact SG-CB 3.3Å; C489-C500 CovalentContact SG-SG 2.04Å; C489-C500 PolarHBondContact SG-SG 3.02Å; P498-C500 PolarHBondContact O-N 3.38Å
501	T	73.9	Confident	77.6	Confident	69 Å²	69	73.8 Å²	73.8	42%	0.423	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.5	168.6	56.7	0	0	0	0	108.3	V488	V488-T501 PolarHBondContact N-O 3.4Å; V488-T501 PolarHBondContact O-N 3.18Å
502	T	76.5	Confident	78.8	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.5	177.9	-53	0	0	0	0	109.4	N233 F236 C485 Y486	N233-T502 PolarHBondContact OD1-N 3.35Å; N233-T502 VanDerWaalsContact OD1-N 3.09Å; N233-T502 PolarHBondContact OD1-OG1 3.26Å; F236-T502 HydrophobicContact CB-CG2 4.26Å; F236-T502 HydrophobicContact CD1-CG2 3.84Å; F236-T502 HydrophobicContact CD2-CG2 3.9Å; F236-T502 HydrophobicContact CE1-CG2 4.18Å; F236-T502 HydrophobicContact CE2-CG2 4.24Å; F236-T502 HydrophobicContact CG-CG2 3.69Å; F236-T502 HydrophobicContact CZ-CG2 4.38Å; C485-T502 HydrophobicContact CB-CG2 4.03Å; Y486-T502 WeakPolarHBondContact O-CA 3.31Å
503	Q	79.6	Confident	79.9	Confident	74 Å²	74	56.9 Å²	56.9	35%	0.346	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136	176.4	-55.8	-171.2	1.3	0	0	109.2	P449 C485 Y486	P449-Q503 HydrophobicContact CG-CB 3.68Å; P449-Q503 HydrophobicContact CG-CG 4.43Å; C485-Q503 CarbonylContact C-O 3.56Å; C485-Q503 WeakPolarHBondContact CA-O 2.96Å; Y486-Q503 HydrophobicContact CD1-CB 4.33Å; Y486-Q503 HydrophobicContact CE1-CB 3.79Å; Y486-Q503 PolarHBondContact N-O 2.9Å; Y486-Q503 PolarHBondContact O-N 2.98Å; Y486-Q503 PolarHBondContact OH-OE1 3.49Å
504	C	82.6	Confident	81	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.6	-172.9	-65.7	0	0	0	0	111.3	G448 V482 K484 C485 I506	G448-C504 WeakPolarHBondContact CA-O 3.48Å; V482-C504 HydrophobicContact CG1-CB 4.2Å; K484-C504 CarbonylContact O-C 3.55Å; K484-C504 VanDerWaalsContact O-CA 3.25Å; K484-C504 WeakPolarHBondContact O-CA 3.17Å; C485-C504 HydrophobicContact CB-CB 4.11Å; C485-C504 WeakPolarHBondContact CB-SG 3.49Å; C485-C504 WeakPolarHBondContact SG-CB 3.49Å; C485-C504 CovalentContact SG-SG 2.04Å; C485-C504 PolarHBondContact SG-SG 2.87Å; C504-I506 HydrophobicContact CB-CG1 4.36Å
505	A	86.8	Confident	81.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.6	162.7	0	0	0	0	0	109.6	L452 R483 K484	L452-A505 HydrophobicContact CB-CB 3.65Å; L452-A505 HydrophobicContact CD1-CB 4.36Å; R483-A505 HydrophobicContact CB-CB 4.26Å; R483-A505 PolarHBondContact N-O 3.32Å; K484-A505 PolarHBondContact O-N 3.42Å
506	I	86.7	Confident	81.6	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.1	178.4	-54.4	-179.8	0	0	0	109.1	L224 V231 C446 T447 Q480 Q481 V482 C504	L224-I506 HydrophobicContact CB-CD1 4.45Å; L224-I506 HydrophobicContact CD1-CD1 3.91Å; V231-I506 HydrophobicContact CG2-CD1 4.28Å; C446-I506 CarbonylContact C-O 3.58Å; C446-I506 WeakPolarHBondContact CA-O 3.47Å; T447-I506 PolarHBondContact N-O 3.5Å; T447-I506 PolarHBondContact O-N 3.21Å; T447-I506 PolarHBondContact OG1-O 2.85Å; Q480-I506 HydrophobicContact CB-CG2 3.91Å; Q480-I506 HydrophobicContact CG-CG2 4.23Å; Q481-I506 CarbonylContact O-C 3.59Å; Q481-I506 WeakPolarHBondContact O-CA 3.27Å; V482-I506 HydrophobicContact CG2-CG1 4.46Å; C504-I506 HydrophobicContact CB-CG1 4.36Å
507	T	88.8	Confident	82	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.3	-176	53.2	0	0	0	0	113.3	Q444 K445 C446 E456 Q480 Q481 R483	Q444-T507 HydrophobicContact CG-CG2 4.14Å; K445-T507 CarbonylContact O-C 3.57Å; K445-T507 WeakPolarHBondContact O-CA 3.45Å; C446-T507 HydrophobicContact CB-CG2 4.16Å; E456-T507 HydrophobicContact CB-CG2 3.84Å; Q480-T507 WeakPolarHBondContact CA-O 3.39Å; Q481-T507 PolarHBondContact N-O 3.04Å; Q481-T507 PolarHBondContact O-N 2.94Å; Q481-T507 PolarHBondContact O-OG1 3.14Å; R483-T507 WeakPolarHBondContact CD-OG1 3.26Å; R483-T507 HydrophobicContact CG-CG2 3.49Å; R483-T507 VanDerWaalsContact CG-CG2 3.49Å; R483-T507 WeakPolarHBondContact CG-OG1 3.48Å
508	E	88.7	Confident	82.1	Confident	23 Å²	23	27.8 Å²	27.8	11%	0.107	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.4	171.6	-66.2	178.9	166.5	0	0	110.2	Q444 K445 Q480 Y510	Q444-E508 CarbonylContact C-O 3.56Å; Q444-E508 VanDerWaalsContact CA-O 3.29Å; Q444-E508 WeakPolarHBondContact CA-O 3.31Å; K445-E508 HydrophobicContact CB-CB 4.49Å; K445-E508 PolarHBondContact N-O 3.23Å; K445-E508 PolarHBondContact O-N 2.97Å; Q480-E508 HydrophobicContact CG-CG 3.61Å; Q480-E508 WeakPolarHBondContact CG-OE1 3.44Å; Q480-E508 PolarHBondContact NE2-OE1 3.23Å; E508-Y510 HydrophobicContact CB-CD2 4.42Å; E508-Y510 HydrophobicContact CB-CE2 3.56Å; E508-Y510 WeakPolarHBondContact O-CD2 3.46Å; E508-Y510 PolarHBondContact OE2-OH 3.3Å
509	S	92.1	Very high	81.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.3	-175.5	-48.8	0	0	0	0	111.8	Q444 L477	Q444-S509 PolarHBondContact OE1-OG 2.79Å; L477-S509 PolarHBondContact N-O 3.24Å
510	Y	94.1	Very high	80.5	Confident	14 Å²	14	25.8 Å²	25.8	6%	0.055	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.6	-176.7	-64.1	-100.2	0	0	0	111.5	V442 Y443 K445 I475 Q476 E508	V442-Y510 VanDerWaalsContact CA-O 3.29Å; V442-Y510 WeakPolarHBondContact CA-O 3.32Å; V442-Y510 WeakPolarHBondContact CB-O 3.3Å; Y443-Y510 AromaticContact CD2-CD2 3.97Å; Y443-Y510 HydrophobicContact CD2-CD2 3.97Å; Y443-Y510 HydrophobicContact CD2-CG 4.31Å; Y443-Y510 HydrophobicContact CE1-CG 4.18Å; Y443-Y510 HydrophobicContact CE2-CD1 4.35Å; Y443-Y510 AromaticContact CE2-CD2 3.28Å; Y443-Y510 HydrophobicContact CE2-CD2 3.28Å; Y443-Y510 HydrophobicContact CE2-CE2 4.03Å; Y443-Y510 AromaticContact CE2-CG 3.49Å; Y443-Y510 HydrophobicContact CE2-CG 3.49Å; Y443-Y510 VanDerWaalsContact CE2-CG 3.49Å; Y443-Y510 AromaticContact CZ-CD1 3.99Å; Y443-Y510 AromaticContact CZ-CD2 3.76Å; Y443-Y510 AromaticContact CZ-CG 3.42Å; Y443-Y510 VanDerWaalsContact CZ-CG 3.42Å; Y443-Y510 PolarHBondContact N-O 3.2Å; Y443-Y510 PolarHBondContact O-N 3.09Å; Y443-Y510 WeakPolarHBondContact OH-CD1 3.32Å; Y443-Y510 VanDerWaalsContact OH-CG 3.31Å; K445-Y510 HydrophobicContact CD-CE2 4Å; K445-Y510 HydrophobicContact CG-CE2 4.23Å; I475-Y510 WeakPolarHBondContact O-CA 2.95Å; Q476-Y510 HydrophobicContact CB-CD1 3.92Å; Q476-Y510 HydrophobicContact CB-CE1 3.66Å; Q476-Y510 HydrophobicContact CG-CE1 4.17Å; E508-Y510 HydrophobicContact CB-CD2 4.42Å; E508-Y510 HydrophobicContact CB-CE2 3.56Å; E508-Y510 WeakPolarHBondContact O-CD2 3.46Å; E508-Y510 PolarHBondContact OE2-OH 3.3Å
511	W	94.2	Very high	79.1	Confident	1 Å²	1	28.4 Å²	28.4	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.9	166.7	74.2	-73.4	0	0	0	110.5	L439 V442 I475 F584 F587 P595 L596	L439-W511 HydrophobicContact CD1-CE3 3.64Å; L439-W511 HydrophobicContact CD1-CZ3 4.32Å; V442-W511 HydrophobicContact CG1-CB 3.95Å; I475-W511 HydrophobicContact CB-CG 4.49Å; I475-W511 PolarHBondContact N-O 2.8Å; I475-W511 VanDerWaalsContact O-CD1 3.26Å; I475-W511 PolarHBondContact O-N 2.86Å; W511-F584 HydrophobicContact CE3-CE1 4.31Å; W511-F584 HydrophobicContact CE3-CZ 4.17Å; W511-F584 AromaticContact CZ3-CE1 3.86Å; W511-F584 HydrophobicContact CZ3-CE1 3.86Å; W511-F584 AromaticContact CZ3-CZ 3.94Å; W511-F584 HydrophobicContact CZ3-CZ 3.94Å; W511-F587 HydrophobicContact CB-CD2 4.11Å; W511-F587 HydrophobicContact CD2-CB 4.13Å; W511-F587 AromaticContact CD2-CD2 3.81Å; W511-F587 HydrophobicContact CD2-CD2 3.81Å; W511-F587 HydrophobicContact CD2-CG 4.47Å; W511-F587 AromaticContact CE3-CD2 3.91Å; W511-F587 HydrophobicContact CE3-CD2 3.91Å; W511-F587 HydrophobicContact CG-CB 4.37Å; W511-F587 AromaticContact CG-CD2 3.92Å; W511-F587 HydrophobicContact CG-CD2 3.92Å; W511-F587 HydrophobicContact CZ2-CB 4.2Å; W511-F587 VanDerWaalsContact CZ2-O 3.25Å; W511-F587 WeakPolarHBondContact CZ2-O 3.37Å; W511-P595 HydrophobicContact CH2-CG 4.44Å; W511-P595 HydrophobicContact CZ2-CG 4.3Å; W511-L596 HydrophobicContact CH2-CD1 4.18Å; W511-L596 HydrophobicContact CH2-CG 4.23Å; W511-L596 HydrophobicContact CZ3-CD1 4.33Å
512	C	94	Very high	77.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	100.8	-178.3	-65.4	0	0	0	0	109.9	G440 G441 N460 C468 Y472	G440-C512 PolarHBondContact N-O 2.79Å; G440-C512 VanDerWaalsContact N-O 3.1Å; G440-C512 WeakPolarHBondContact O-CB 3.45Å; G441-C512 WeakPolarHBondContact O-CB 3.48Å; G441-C512 PolarHBondContact O-N 2.71Å; N460-C512 PolarHBondContact ND2-SG 3.09Å; N460-C512 VanDerWaalsContact ND2-SG 3.38Å; C468-C512 WeakPolarHBondContact CA-SG 3.48Å; C468-C512 HydrophobicContact CB-CB 3.77Å; C468-C512 WeakPolarHBondContact CB-SG 3.39Å; C468-C512 WeakPolarHBondContact SG-CA 3.45Å; C468-C512 WeakPolarHBondContact SG-CB 3.32Å; C468-C512 CovalentContact SG-SG 2.03Å; C468-C512 PolarHBondContact SG-SG 3.08Å; Y472-C512 HydrophobicContact CD1-CB 4.33Å; Y472-C512 WeakPolarHBondContact CD1-O 3.39Å; Y472-C512 HydrophobicContact CG-CB 4.4Å
513	S	90.8	Very high	75.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	147.2	173.4	179.4	0	0	0	0	110.1	Y472 V473 D515 P595 L596	Y472-S513 CarbonylContact C-O 3.6Å; Y472-S513 WeakPolarHBondContact CA-O 3.31Å; Y472-S513 WeakPolarHBondContact CB-O 3.43Å; Y472-S513 VanDerWaalsContact CD1-C 3.47Å; Y472-S513 WeakPolarHBondContact CD1-O 3.36Å; V473-S513 PolarHBondContact N-O 3.48Å; V473-S513 PolarHBondContact O-N 3.34Å; S513-D515 PolarHBondContact O-N 2.83Å; S513-P595 VanDerWaalsContact OG-CG 3.23Å; S513-P595 WeakPolarHBondContact OG-CG 3.43Å; S513-L596 WeakPolarHBondContact OG-CD2 3.24Å
514	R	86.5	Confident	74.1	Confident	37 Å²	37	34 Å²	34	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	133.8	167.2	-165.8	170.8	-161.7	147.9	20.3	109.4	Y472 P516 I525 L596 L599	Y472-R514 HydrophobicContact CD1-CB 4.49Å; Y472-R514 HydrophobicContact CE1-CB 4.42Å; R514-P516 VanDerWaalsContact O-CD 3.29Å; R514-P516 WeakPolarHBondContact O-CD 3.4Å; R514-I525 VanDerWaalsContact CZ-CG2 3.43Å; R514-I525 VanDerWaalsContact CZ-O 3.3Å; R514-I525 PolarHBondContact NH1-O 2.96Å; R514-I525 PolarHBondContact NH2-O 3.04Å; R514-L596 HydrophobicContact CB-CD2 4.02Å; R514-L599 HydrophobicContact CB-CD1 4.16Å; R514-L599 HydrophobicContact CG-CD1 4.39Å
515	D	82.5	Confident	72.5	Confident	20 Å²	20	35.5 Å²	35.5	11%	0.107	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.4	116.7	-177.5	-174.5	-20.2	0	0	0	110	G471 S513 S517 L518 Q625	G471-D515 PolarHBondContact O-N 3.44Å; S513-D515 PolarHBondContact O-N 2.83Å; D515-S517 PolarHBondContact O-N 3.08Å; D515-S517 VanDerWaalsContact OD1-CB 3.27Å; D515-S517 WeakPolarHBondContact OD1-CB 3.36Å; D515-S517 PolarHBondContact OD1-N 2.85Å; D515-S517 PolarHBondContact OD1-OG 2.71Å; D515-S517 PolarHBondContact OD2-OG 3.14Å; D515-L518 HydrophobicContact CB-CD1 3.8Å; D515-L518 HydrophobicContact CB-CG 4.14Å; D515-L518 PolarHBondContact O-N 2.77Å; D515-Q625 PolarHBondContact OD2-NE2 2.74Å
516	P	74.5	Confident	70.8	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.039	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.5	-26.9	-178.9	25.4	-32.9	0	0	0	113.3	R514 L518 S519 P595 L599 I617 W692	R514-P516 VanDerWaalsContact O-CD 3.29Å; R514-P516 WeakPolarHBondContact O-CD 3.4Å; P516-L518 VanDerWaalsContact C-N 3.31Å; P516-L518 PolarHBondContact O-N 2.94Å; P516-S519 PolarHBondContact O-OG 2.87Å; P516-P595 HydrophobicContact CG-CB 4.43Å; P516-L599 HydrophobicContact CB-CD1 4.34Å; P516-L599 HydrophobicContact CB-CD2 4.09Å; P516-L599 HydrophobicContact CB-CG 3.87Å; P516-I617 HydrophobicContact CB-CD1 4.37Å; P516-W692 HydrophobicContact CB-CH2 4.43Å; P516-W692 HydrophobicContact CG-CH2 3.81Å; P516-W692 HydrophobicContact CG-CZ2 3.95Å
517	S	70.9	Confident	68.9	Low	26 Å²	26	46 Å²	46	18%	0.182	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.7	-28.5	-176.7	72	0	0	0	0	113.3	D515 S519 S520	D515-S517 PolarHBondContact O-N 3.08Å; D515-S517 VanDerWaalsContact OD1-CB 3.27Å; D515-S517 WeakPolarHBondContact OD1-CB 3.36Å; D515-S517 PolarHBondContact OD1-N 2.85Å; D515-S517 PolarHBondContact OD1-OG 2.71Å; D515-S517 PolarHBondContact OD2-OG 3.14Å; S517-S519 VanDerWaalsContact C-N 3.34Å; S517-S519 PolarHBondContact O-N 2.92Å; S517-S520 PolarHBondContact O-OG 3.08Å
518	L	69.1	Low	66.9	Low	73 Å²	73	52.3 Å²	52.3	38%	0.382	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-72.9	-25.2	-176.9	-69.4	170.5	0	0	0	113	D515 P516 S520 S521 I525	D515-L518 HydrophobicContact CB-CD1 3.8Å; D515-L518 HydrophobicContact CB-CG 4.14Å; D515-L518 PolarHBondContact O-N 2.77Å; P516-L518 VanDerWaalsContact C-N 3.31Å; P516-L518 PolarHBondContact O-N 2.94Å; L518-S520 PolarHBondContact O-N 2.73Å; L518-S520 VanDerWaalsContact O-N 3.08Å; L518-S521 PolarHBondContact O-N 3.21Å; L518-S521 PolarHBondContact O-OG 2.7Å; L518-S521 VanDerWaalsContact O-OG 3.05Å; L518-I525 HydrophobicContact CB-CD1 4.45Å; L518-I525 WeakPolarHBondContact O-CD1 3.39Å
519	S	55.6	Low	65.2	Low	48 Å²	48	53.5 Å²	53.5	34%	0.336	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.9	-172.7	61.1	0	0	0	0	115.6	P516 S517 S521 L599	P516-S519 PolarHBondContact O-OG 2.87Å; S517-S519 VanDerWaalsContact C-N 3.34Å; S517-S519 PolarHBondContact O-N 2.92Å; S519-S521 VanDerWaalsContact C-N 3.27Å; S519-S521 PolarHBondContact O-N 2.78Å; S519-L599 VanDerWaalsContact OG-CD2 3.26Å; S519-L599 WeakPolarHBondContact OG-CD2 3.19Å
520	S	49.6	Very low	63.5	Low	101 Å²	101	59.9 Å²	59.9	71%	0.706	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-76.9	-5.1	-176.3	56.6	0	0	0	0	115.1	S517 L518	S517-S520 PolarHBondContact O-OG 3.08Å; L518-S520 PolarHBondContact O-N 2.73Å; L518-S520 VanDerWaalsContact O-N 3.08Å
521	S	43.7	Very low	62.4	Low	90 Å²	90	61.3 Å²	61.3	63%	0.629	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-119.5	-3.1	-166.9	62.5	0	0	0	0	116.5	L518 S519	L518-S521 PolarHBondContact O-N 3.21Å; L518-S521 PolarHBondContact O-OG 2.7Å; L518-S521 VanDerWaalsContact O-OG 3.05Å; S519-S521 VanDerWaalsContact C-N 3.27Å; S519-S521 PolarHBondContact O-N 2.78Å
522	S	38.2	Very low	61.9	Low	57 Å²	57	61.6 Å²	61.6	40%	0.399	37%	0.37	S	S	.	.			trans	-162.2	125.1	166.4	32.5	0	0	0	0	112	N524 I525	S522-N524 PolarHBondContact O-N 3.48Å; S522-I525 WeakPolarHBondContact O-CG1 3.31Å; S522-I525 PolarHBondContact O-N 3.32Å; S522-I525 VanDerWaalsContact O-N 3.1Å; S522-I525 WeakPolarHBondContact OG-CD1 3.35Å; S522-I525 WeakPolarHBondContact OG-CG1 3.38Å
523	S	42.7	Very low	61.7	Low	121 Å²	121	62 Å²	62	85%	0.846	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-2.1	169.3	52.1	0	0	0	0	114.4
524	N	45.2	Very low	61.8	Low	91 Å²	91	62.4 Å²	62.4	49%	0.487	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	6.4	-180	-66.3	-6.3	0	0	0	113.4	S522 L526 D527 N528	S522-N524 PolarHBondContact O-N 3.48Å; N524-L526 VanDerWaalsContact C-N 3.25Å; N524-L526 PolarHBondContact O-N 2.97Å; N524-D527 PolarHBondContact O-N 2.04Å; N524-D527 VanDerWaalsContact O-N 3.1Å; N524-N528 WeakPolarHBondContact O-CB 3.49Å; N524-N528 PolarHBondContact O-N 2.93Å
525	I	48.2	Very low	62.1	Low	36 Å²	36	60.7 Å²	60.7	19%	0.185	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.2	-179	-71.8	174	0	0	0	111.3	R514 L518 S522 D527	R514-I525 VanDerWaalsContact CZ-CG2 3.43Å; R514-I525 VanDerWaalsContact CZ-O 3.3Å; R514-I525 PolarHBondContact NH1-O 2.96Å; R514-I525 PolarHBondContact NH2-O 3.04Å; L518-I525 HydrophobicContact CB-CD1 4.45Å; L518-I525 WeakPolarHBondContact O-CD1 3.39Å; S522-I525 WeakPolarHBondContact O-CG1 3.31Å; S522-I525 PolarHBondContact O-N 3.32Å; S522-I525 VanDerWaalsContact O-N 3.1Å; S522-I525 WeakPolarHBondContact OG-CD1 3.35Å; S522-I525 WeakPolarHBondContact OG-CG1 3.38Å; I525-D527 VanDerWaalsContact C-N 3.25Å; I525-D527 PolarHBondContact O-N 2.81Å
526	L	50.7	Low	62.6	Low	79 Å²	79	59.8 Å²	59.8	41%	0.414	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20	175	-87.3	139	0	0	0	114.1	T435 L437 N524	T435-L526 HydrophobicContact CG2-CD2 3.67Å; L437-L526 HydrophobicContact CD2-CD2 4.09Å; N524-L526 VanDerWaalsContact C-N 3.25Å; N524-L526 PolarHBondContact O-N 2.97Å
527	D	47.2	Very low	63.5	Low	141 Å²	141	59.5 Å²	59.5	75%	0.754	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-8.4	-174	-86.9	-21.1	0	0	0	114.8	N524 I525	N524-D527 PolarHBondContact O-N 2.04Å; N524-D527 VanDerWaalsContact O-N 3.1Å; I525-D527 VanDerWaalsContact C-N 3.25Å; I525-D527 PolarHBondContact O-N 2.81Å
528	N	46.9	Very low	64.5	Low	133 Å²	133	58.5 Å²	58.5	71%	0.711	35%	0.353	S	S	*	.	S	Bend	trans	-133.3	35.5	-159.3	-112.4	-0.1	0	0	0	118.1	N524	N524-N528 WeakPolarHBondContact O-CB 3.49Å; N524-N528 PolarHBondContact O-N 2.93Å
529	S	52.4	Low	65.6	Low	49 Å²	49	56.3 Å²	56.3	34%	0.343	34%	0.34	S	S	.	.			trans	-150.3	111	162.2	61.9	0	0	0	0	112.4	S531	S529-S531 PolarHBondContact O-N 3.34Å
530	D	57.4	Low	67.1	Low	133 Å²	133	54.2 Å²	54.2	71%	0.711	33%	0.325	S	S	*	.			trans	-63.6	-0.6	176.8	-80.4	-16.3	0	0	0	114.9	G532 R574	D530-G532 PolarHBondContact O-N 3.04Å; D530-G532 VanDerWaalsContact O-N 3.16Å; D530-R574 PolarHBondContact O-NH2 3.48Å; D530-R574 IonicContact OD1-CZ 3.75Å; D530-R574 IonicContact OD1-NH1 3.64Å; D530-R574 PolarHBondContact OD1-NH1 3.38Å; D530-R574 IonicContact OD1-NH2 3.64Å
531	S	69.8	Low	68.7	Low	44 Å²	44	52.2 Å²	52.2	31%	0.308	31%	0.306	S	S	.	.			trans	-85.3	88.3	-173.5	55.4	0	0	0	0	111.5	Y472 S529	Y472-S531 WeakPolarHBondContact CE2-O 3.05Å; Y472-S531 VanDerWaalsContact CZ-O 3.31Å; Y472-S531 PolarHBondContact OH-O 2.84Å; S529-S531 PolarHBondContact O-N 3.34Å
532	G	83.8	Confident	70.3	Confident	8 Å²	8	52.4 Å²	52.4	8%	0.082	30%	0.296	C	S	.	.			trans	176.2	156.5	171.1	0	0	0	0	0	112.8	D530	D530-G532 PolarHBondContact O-N 3.04Å; D530-G532 VanDerWaalsContact O-N 3.16Å
533	Y	90.6	Very high	72.3	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.027	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-85.6	144.9	177.6	-68.6	-72.4	0	0	0	112	L439 P461 L462 W558 L570 T572	L439-Y533 PolarHBondContact N-O 3.03Å; L439-Y533 VanDerWaalsContact N-O 3.09Å; L439-Y533 PolarHBondContact O-N 2.86Å; P461-Y533 WeakPolarHBondContact CB-OH 3.32Å; P461-Y533 HydrophobicContact CG-CE2 4.19Å; P461-Y533 PolarHBondContact O-OH 3.33Å; L462-Y533 HydrophobicContact CB-CE2 4.27Å; L462-Y533 HydrophobicContact CD1-CD2 4Å; L462-Y533 HydrophobicContact CD1-CE2 3.75Å; L462-Y533 HydrophobicContact CD2-CE2 4.17Å; L462-Y533 HydrophobicContact CG-CD2 4.1Å; L462-Y533 HydrophobicContact CG-CE2 3.38Å; L462-Y533 WeakPolarHBondContact CG-OH 3.35Å; L462-Y533 PolarHBondContact N-OH 3.03Å; Y533-W558 AromaticContact CD1-CH2 3.86Å; Y533-W558 HydrophobicContact CD1-CH2 3.86Å; Y533-W558 AromaticContact CD1-CZ2 3.91Å; Y533-W558 HydrophobicContact CD1-CZ2 3.91Å; Y533-W558 AromaticContact CE1-CH2 3.49Å; Y533-W558 HydrophobicContact CE1-CH2 3.49Å; Y533-W558 VanDerWaalsContact CE1-CH2 3.49Å; Y533-W558 AromaticContact CE1-CZ2 3.37Å; Y533-W558 HydrophobicContact CE1-CZ2 3.37Å; Y533-L570 HydrophobicContact CD1-CB 4.03Å; Y533-L570 HydrophobicContact CD1-CD1 4.48Å; Y533-L570 HydrophobicContact CD2-CD1 3.71Å; Y533-L570 HydrophobicContact CE2-CD1 4.17Å; Y533-L570 HydrophobicContact CG-CB 4.04Å; Y533-L570 HydrophobicContact CG-CD1 3.88Å; Y533-L570 HydrophobicContact CG-CG 4.45Å; Y533-T572 HydrophobicContact CD1-CG2 3.77Å; Y533-T572 HydrophobicContact CE1-CG2 3.36Å
534	L	92.2	Very high	74.4	Confident	10 Å²	10	47.4 Å²	47.4	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.5	157.6	-60.4	179	0	0	0	109.5	Y438 Y557 L570 S571 D573	Y438-L534 HydrophobicContact CD1-CD2 4.1Å; Y438-L534 HydrophobicContact CE1-CD2 3.69Å; L534-Y557 HydrophobicContact CB-CE1 3.96Å; L534-Y557 VanDerWaalsContact CB-OH 3.31Å; L534-Y557 WeakPolarHBondContact CB-OH 3.23Å; L534-Y557 WeakPolarHBondContact O-CE1 3.38Å; L534-L570 WeakPolarHBondContact O-CA 3.43Å; L534-S571 PolarHBondContact N-O 2.91Å; L534-S571 PolarHBondContact O-N 2.74Å; L534-S571 VanDerWaalsContact O-N 3.11Å; L534-D573 VanDerWaalsContact CD1-O 3.32Å; L534-D573 WeakPolarHBondContact CD1-O 3.44Å
535	F	93.7	Very high	76.5	Confident	2 Å²	2	43 Å²	43	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.6	178.3	176.8	-115.6	0	0	0	110	G537 L538 I568 L570 L582 F584 F587 Y715	F535-G537 VanDerWaalsContact CE2-O 3.24Å; F535-G537 WeakPolarHBondContact CE2-O 3.43Å; F535-G537 VanDerWaalsContact CZ-CA 3.45Å; F535-L538 HydrophobicContact CZ-CD2 4.17Å; F535-I568 HydrophobicContact CD2-CG2 4.24Å; F535-I568 HydrophobicContact CE2-CG2 4Å; F535-L570 HydrophobicContact CD2-CD2 4.34Å; F535-L582 HydrophobicContact CD1-CB 3.95Å; F535-L582 HydrophobicContact CD1-CD1 4.31Å; F535-L582 HydrophobicContact CE1-CB 4.43Å; F535-L582 HydrophobicContact CE1-CD1 4.04Å; F535-L582 PolarHBondContact O-N 2.98Å; F535-F584 HydrophobicContact CB-CB 3.95Å; F535-F584 HydrophobicContact CB-CD2 4.34Å; F535-F584 HydrophobicContact CB-CG 4.25Å; F535-F584 HydrophobicContact CD1-CB 4.06Å; F535-F584 AromaticContact CD1-CD2 3.58Å; F535-F584 HydrophobicContact CD1-CD2 3.58Å; F535-F584 HydrophobicContact CD1-CE2 4.45Å; F535-F584 HydrophobicContact CD1-CG 4.19Å; F535-F584 AromaticContact CE1-CD2 3.94Å; F535-F584 HydrophobicContact CE1-CD2 3.94Å; F535-F584 HydrophobicContact CG-CB 4.31Å; F535-F584 AromaticContact CG-CD2 3.9Å; F535-F584 HydrophobicContact CG-CD2 3.9Å; F535-F584 HydrophobicContact CG-CG 4.31Å; F535-F587 HydrophobicContact CE2-CE1 4.5Å; F535-F587 AromaticContact CE2-CZ 3.84Å; F535-F587 HydrophobicContact CE2-CZ 3.84Å; F535-F587 HydrophobicContact CZ-CE1 4.4Å; F535-F587 HydrophobicContact CZ-CZ 4.14Å; F535-Y715 AromaticContact CE1-CD2 3.58Å; F535-Y715 HydrophobicContact CE1-CD2 3.58Å; F535-Y715 AromaticContact CE1-CE2 3.96Å; F535-Y715 HydrophobicContact CE1-CE2 3.96Å; F535-Y715 HydrophobicContact CE1-CG 4.31Å; F535-Y715 AromaticContact CZ-CD2 3.88Å; F535-Y715 HydrophobicContact CZ-CD2 3.88Å; F535-Y715 HydrophobicContact CZ-CE2 4.32Å; F535-Y715 HydrophobicContact CZ-CG 4.19Å
536	G	92.8	Very high	78.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	18.7	-176.5	0	0	0	0	0	113.3	N545 P554 C569	G536-N545 PolarHBondContact O-ND2 2.8Å; G536-P554 WeakPolarHBondContact O-CD 3.25Å; G536-C569 PolarHBondContact N-O 2.77Å
537	G	92.5	Very high	79.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.4	-163.3	-169.1	0	0	0	0	0	112.5	F535 C569	F535-G537 VanDerWaalsContact CE2-O 3.24Å; F535-G537 WeakPolarHBondContact CE2-O 3.43Å; F535-G537 VanDerWaalsContact CZ-CA 3.45Å; G537-C569 VanDerWaalsContact O-CB 3.3Å; G537-C569 WeakPolarHBondContact O-CB 3.25Å; G537-C569 PolarHBondContact O-N 2.91Å
538	L	93.3	Very high	81.9	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.1	-179.8	63.7	89.8	0	0	0	109	F535 N545 M566 R567 I568 F587 A705 Y715	F535-L538 HydrophobicContact CZ-CD2 4.17Å; L538-N545 WeakPolarHBondContact O-CA 3.1Å; L538-M566 HydrophobicContact CD1-CG 4.29Å; L538-M566 HydrophobicContact CD2-SD 4.29Å; L538-R567 CarbonylContact C-O 3.59Å; L538-R567 WeakPolarHBondContact CA-O 3.47Å; L538-R567 VanDerWaalsContact CB-O 3.25Å; L538-R567 WeakPolarHBondContact CB-O 3.41Å; L538-I568 HydrophobicContact CB-CG1 4.35Å; L538-F587 HydrophobicContact CD2-CE1 3.87Å; L538-F587 HydrophobicContact CD2-CZ 4.49Å; L538-A705 VanDerWaalsContact CD1-CA 3.46Å; L538-A705 HydrophobicContact CD1-CB 3.74Å; L538-A705 WeakPolarHBondContact CD1-O 3.44Å; L538-A705 HydrophobicContact CD2-CB 3.37Å; L538-A705 HydrophobicContact CG-CB 4.17Å; L538-Y715 HydrophobicContact CD2-CD1 3.83Å; L538-Y715 HydrophobicContact CD2-CE1 4.26Å; L538-Y715 HydrophobicContact CD2-CG 4.32Å; L538-Y715 HydrophobicContact CG-CD1 4.49Å; L538-Y715 HydrophobicContact CG-CE1 4.45Å
539	Y	91.1	Very high	83.8	Confident	27 Å²	27	33.2 Å²	33.2	11%	0.106	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.2	173.2	63.2	-78.3	0	0	0	110.8	E543 Y551 P559 R567	Y539-E543 WeakPolarHBondContact CA-O 3.23Å; Y539-E543 WeakPolarHBondContact CB-O 3.47Å; Y539-Y551 VanDerWaalsContact CD2-C 3.4Å; Y539-Y551 VanDerWaalsContact CE2-C 3.42Å; Y539-Y551 WeakPolarHBondContact CE2-O 3.41Å; Y539-P559 HydrophobicContact CE1-CB 4.18Å; Y539-R567 HydrophobicContact CD1-CB 4.07Å; Y539-R567 HydrophobicContact CD2-CB 4.37Å; Y539-R567 HydrophobicContact CE1-CB 3.74Å; Y539-R567 HydrophobicContact CE2-CB 4.11Å; Y539-R567 HydrophobicContact CE2-CG 4.33Å; Y539-R567 HydrophobicContact CG-CB 4.36Å; Y539-R567 VanDerWaalsContact CZ-CD 3.43Å; Y539-R567 PolarHBondContact N-O 2.65Å; Y539-R567 PolarHBondContact O-N 3.26Å; Y539-R567 WeakPolarHBondContact OH-CD 3.3Å
540	T	87.8	Confident	85.6	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.025	19%	0.19	C	C	.	.			trans	-121.7	-171.7	169	70	0	0	0	0	109.7	K542 E543 Y551 R565 A706	T540-K542 PolarHBondContact OG1-N 2.99Å; T540-K542 VanDerWaalsContact OG1-N 3.07Å; T540-E543 PolarHBondContact N-O 2.77Å; T540-E543 WeakPolarHBondContact OG1-CB 3.44Å; T540-E543 PolarHBondContact OG1-N 2.82Å; T540-Y551 WeakPolarHBondContact O-CD1 3.46Å; T540-R565 WeakPolarHBondContact CA-O 3.27Å; T540-R565 HydrophobicContact CG2-CB 4.43Å; T540-A706 HydrophobicContact CG2-CB 3.61Å
541	D	82.1	Confident	87.2	Confident	59 Å²	59	35.7 Å²	35.7	32%	0.316	18%	0.178	S	C	.	.	S	Bend	trans	-75.1	-7.9	167.2	60.9	-48.9	0	0	0	113.4	R565 F769	D541-R565 WeakPolarHBondContact OD1-CB 2.97Å; D541-R565 IonicContact OD1-CZ 2.7Å; D541-R565 IonicContact OD1-NE 3.53Å; D541-R565 PolarHBondContact OD1-NE 3.21Å; D541-R565 IonicContact OD1-NH2 3.82Å; D541-R565 PolarHBondContact OD1-NH2 2.03Å; D541-R565 IonicContact OD2-CZ 2.65Å; D541-R565 IonicContact OD2-NE 3.09Å; D541-R565 PolarHBondContact OD2-NE 3Å; D541-R565 IonicContact OD2-NH2 3.92Å; D541-R565 PolarHBondContact OD2-NH2 2.82Å; D541-F769 HydrophobicContact CB-CE1 3.69Å; D541-F769 HydrophobicContact CB-CZ 4.2Å
542	K	78.4	Confident	88.4	Confident	94 Å²	94	36.2 Å²	36.2	41%	0.409	18%	0.177	S	C	.	.	S	Bend	trans	-121.3	-21	175.5	-81.4	177	-153.9	167.8	0	114.6	T540 Y551 R565	T540-K542 PolarHBondContact OG1-N 2.99Å; T540-K542 VanDerWaalsContact OG1-N 3.07Å; K542-Y551 PolarHBondContact O-OH 3.27Å; K542-R565 VanDerWaalsContact CB-NH2 3.31Å
543	E	79.9	Confident	89	Confident	38 Å²	38	36.8 Å²	36.8	18%	0.178	18%	0.18	C	C	.	.	S	Bend	trans	-116.8	126.3	-177.5	-61.5	-172.8	178.4	0	0	110.1	Y539 T540 L704 K731	Y539-E543 WeakPolarHBondContact CA-O 3.23Å; Y539-E543 WeakPolarHBondContact CB-O 3.47Å; T540-E543 PolarHBondContact N-O 2.77Å; T540-E543 WeakPolarHBondContact OG1-CB 3.44Å; T540-E543 PolarHBondContact OG1-N 2.82Å; E543-L704 VanDerWaalsContact OE1-CD2 3.31Å; E543-L704 WeakPolarHBondContact OE1-CD2 3.01Å; E543-K731 WeakPolarHBondContact OE1-CD 3.25Å; E543-K731 WeakPolarHBondContact OE1-CE 3.4Å
544	V	86	Confident	89.2	Confident	35 Å²	35	36.9 Å²	36.9	21%	0.212	18%	0.181	C	C	.	.			trans	-75.9	155	178.3	-62.8	0	0	0	0	111	S546 Y551	V544-S546 PolarHBondContact O-N 2.95Å; V544-Y551 HydrophobicContact CG1-CD1 3.99Å; V544-Y551 HydrophobicContact CG1-CD2 4.19Å; V544-Y551 HydrophobicContact CG1-CE1 3.71Å; V544-Y551 HydrophobicContact CG1-CE2 3.9Å; V544-Y551 HydrophobicContact CG1-CG 4.24Å
545	N	89.1	Confident	89.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.			trans	-64.1	127	171.8	-174.8	-22.7	0	0	0	109.9	G536 L538 L547 T548 K549 Q550 N552	G536-N545 PolarHBondContact O-ND2 2.8Å; L538-N545 WeakPolarHBondContact O-CA 3.1Å; N545-L547 PolarHBondContact O-N 2.7Å; N545-L547 VanDerWaalsContact O-N 3.14Å; N545-L547 WeakPolarHBondContact OD1-CB 3.45Å; N545-L547 PolarHBondContact OD1-N 3.38Å; N545-T548 WeakPolarHBondContact CB-OG1 3.47Å; N545-T548 PolarHBondContact O-N 2.89Å; N545-K549 VanDerWaalsContact O-CA 3.22Å; N545-K549 WeakPolarHBondContact O-CA 3.5Å; N545-K549 PolarHBondContact O-N 2.88Å; N545-Q550 PolarHBondContact N-O 3.45Å; N545-N552 WeakPolarHBondContact CB-O 3.29Å; N545-N552 PolarHBondContact ND2-O 3.18Å
546	S	84.3	Confident	89.3	Confident	32 Å²	32	47.8 Å²	47.8	22%	0.224	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.7	-178.4	-63.1	0	0	0	0	113.3	V544 K549 Y715	V544-S546 PolarHBondContact O-N 2.95Å; S546-K549 WeakPolarHBondContact O-CD 3.21Å; S546-K549 VanDerWaalsContact O-CE 3.29Å; S546-K549 WeakPolarHBondContact O-CE 3.33Å; S546-K549 PolarHBondContact O-NZ 3.33Å; S546-Y715 VanDerWaalsContact CB-OH 3.23Å; S546-Y715 WeakPolarHBondContact CB-OH 3.39Å; S546-Y715 PolarHBondContact OG-OH 3.46Å
547	L	86.6	Confident	89.5	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.257	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-52.1	175.6	-178.2	64.9	0	0	0	112.7	N545 P554 Y580 L582	N545-L547 PolarHBondContact O-N 2.7Å; N545-L547 VanDerWaalsContact O-N 3.14Å; N545-L547 WeakPolarHBondContact OD1-CB 3.45Å; N545-L547 PolarHBondContact OD1-N 3.38Å; L547-P554 HydrophobicContact CD2-CB 4.05Å; L547-P554 HydrophobicContact CD2-CG 3.95Å; L547-Y580 WeakPolarHBondContact CD2-O 3.49Å; L547-L582 HydrophobicContact CB-CD2 4.3Å; L547-L582 HydrophobicContact CD1-CD2 3.98Å; L547-L582 HydrophobicContact CD2-CD2 4.32Å; L547-L582 HydrophobicContact CD2-CG 4.42Å; L547-L582 HydrophobicContact CG-CD2 4.44Å
548	T	89.7	Confident	89.6	Confident	35 Å²	35	52.8 Å²	52.8	22%	0.215	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.4	-175.7	67.8	0	0	0	0	113.7	N545 Q550 N552 P554	N545-T548 WeakPolarHBondContact CB-OG1 3.47Å; N545-T548 PolarHBondContact O-N 2.89Å; T548-Q550 PolarHBondContact O-N 2.78Å; T548-Q550 PolarHBondContact OG1-N 2.74Å; T548-Q550 PolarHBondContact OG1-O 2.98Å; T548-N552 VanDerWaalsContact CB-OD1 3.3Å; T548-N552 WeakPolarHBondContact CB-OD1 3.32Å; T548-N552 PolarHBondContact OG1-O 2.89Å; T548-N552 PolarHBondContact OG1-OD1 3.3Å; T548-P554 HydrophobicContact CG2-CB 3.85Å; T548-P554 HydrophobicContact CG2-CG 4.46Å
549	K	86.1	Confident	89.7	Confident	66 Å²	66	55.6 Å²	55.6	29%	0.287	27%	0.265	S	S	.	.	S	Bend	trans	57.7	21	-172	-46.2	-55	-170.9	-174.2	0	113.7	N545 S546 E724 V726	N545-K549 VanDerWaalsContact O-CA 3.22Å; N545-K549 WeakPolarHBondContact O-CA 3.5Å; N545-K549 PolarHBondContact O-N 2.88Å; S546-K549 WeakPolarHBondContact O-CD 3.21Å; S546-K549 VanDerWaalsContact O-CE 3.29Å; S546-K549 WeakPolarHBondContact O-CE 3.33Å; S546-K549 PolarHBondContact O-NZ 3.33Å; K549-E724 PolarHBondContact NZ-O 3.11Å; K549-V726 HydrophobicContact CD-CG2 3.7Å
550	Q	90.1	Very high	89.8	Confident	115 Å²	115	54.9 Å²	54.9	54%	0.537	26%	0.263	S	S	.	.	S	Bend	trans	-134.9	167.9	-179.1	-65.8	178.9	7.5	0	0	110.3	N545 T548 N552	N545-Q550 PolarHBondContact N-O 3.45Å; T548-Q550 PolarHBondContact O-N 2.78Å; T548-Q550 PolarHBondContact OG1-N 2.74Å; T548-Q550 PolarHBondContact OG1-O 2.98Å; Q550-N552 WeakPolarHBondContact CB-OD1 3.37Å; Q550-N552 PolarHBondContact O-N 3.3Å; Q550-N552 PolarHBondContact OE1-ND2 3.27Å
551	Y	91.4	Very high	90	Very high	120 Å²	120	58.2 Å²	58.2	47%	0.471	28%	0.284	S	S	.	.	S	Bend	trans	-79.5	51.7	175.9	-59.6	-71	0	0	0	112	Y539 T540 K542 V544	Y539-Y551 VanDerWaalsContact CD2-C 3.4Å; Y539-Y551 VanDerWaalsContact CE2-C 3.42Å; Y539-Y551 WeakPolarHBondContact CE2-O 3.41Å; T540-Y551 WeakPolarHBondContact O-CD1 3.46Å; K542-Y551 PolarHBondContact O-OH 3.27Å; V544-Y551 HydrophobicContact CG1-CD1 3.99Å; V544-Y551 HydrophobicContact CG1-CD2 4.19Å; V544-Y551 HydrophobicContact CG1-CE1 3.71Å; V544-Y551 HydrophobicContact CG1-CE2 3.9Å; V544-Y551 HydrophobicContact CG1-CG 4.24Å
552	N	94.7	Very high	90.4	Very high	54 Å²	54	55.4 Å²	55.4	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	-149.8	166.9	-177.7	61.1	21.7	0	0	0	112.1	N545 T548 Q550	N545-N552 WeakPolarHBondContact CB-O 3.29Å; N545-N552 PolarHBondContact ND2-O 3.18Å; T548-N552 VanDerWaalsContact CB-OD1 3.3Å; T548-N552 WeakPolarHBondContact CB-OD1 3.32Å; T548-N552 PolarHBondContact OG1-O 2.89Å; T548-N552 PolarHBondContact OG1-OD1 3.3Å; Q550-N552 WeakPolarHBondContact CB-OD1 3.37Å; Q550-N552 PolarHBondContact O-N 3.3Å; Q550-N552 PolarHBondContact OE1-ND2 3.27Å
553	C	96.1	Very high	90.8	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.142	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-82.7	151.9	168.1	-66	0	0	0	0	111.4	C569	C553-C569 WeakPolarHBondContact CA-SG 3.37Å; C553-C569 HydrophobicContact CB-CB 3.67Å; C553-C569 WeakPolarHBondContact CB-SG 3.03Å; C553-C569 WeakPolarHBondContact SG-CA 3.44Å; C553-C569 WeakPolarHBondContact SG-CB 3.49Å; C553-C569 CovalentContact SG-SG 2.04Å; C553-C569 PolarHBondContact SG-SG 3.45Å
554	P	95.3	Very high	90.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.058	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.1	165.1	169.6	27.4	-35.3	0	0	0	111	G536 L547 T548 Y556 Y557 Y580	G536-P554 WeakPolarHBondContact O-CD 3.25Å; L547-P554 HydrophobicContact CD2-CB 4.05Å; L547-P554 HydrophobicContact CD2-CG 3.95Å; T548-P554 HydrophobicContact CG2-CB 3.85Å; T548-P554 HydrophobicContact CG2-CG 4.46Å; P554-Y556 PolarHBondContact O-N 2.81Å; P554-Y557 HydrophobicContact CB-CD2 4.25Å; P554-Y557 HydrophobicContact CG-CD1 4.33Å; P554-Y557 HydrophobicContact CG-CD2 3.54Å; P554-Y557 HydrophobicContact CG-CE2 4.03Å; P554-Y557 HydrophobicContact CG-CG 3.71Å; P554-Y557 WeakPolarHBondContact O-CB 3.33Å; P554-Y557 PolarHBondContact O-N 3.31Å; P554-Y580 HydrophobicContact CB-CG 4.18Å
555	Q	94	Very high	90.9	Very high	124 Å²	124	51.7 Å²	51.7	58%	0.579	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	140.6	177.1	-67.6	-178.4	-7.6	0	0	110.8	Y557 Y580	Q555-Y557 VanDerWaalsContact C-N 3.27Å; Q555-Y557 WeakPolarHBondContact O-CD2 3.26Å; Q555-Y557 PolarHBondContact O-N 3.24Å; Q555-Y580 HydrophobicContact CB-CE2 4.04Å
556	Y	94.9	Very high	90.9	Very high	116 Å²	116	51.8 Å²	51.8	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	10.9	-177.3	-42.2	-73.1	0	0	0	115.8	P554 S571 L576 Y580	P554-Y556 PolarHBondContact O-N 2.81Å; Y556-S571 VanDerWaalsContact O-CB 3.23Å; Y556-S571 WeakPolarHBondContact O-CB 3.38Å; Y556-S571 PolarHBondContact O-OG 3.38Å; Y556-L576 HydrophobicContact CD1-CB 3.85Å; Y556-L576 HydrophobicContact CD1-CD1 3.94Å; Y556-L576 HydrophobicContact CD2-CB 3.6Å; Y556-L576 WeakPolarHBondContact CD2-O 3.25Å; Y556-L576 HydrophobicContact CE1-CB 3.96Å; Y556-L576 HydrophobicContact CE1-CD1 3.59Å; Y556-L576 HydrophobicContact CE1-CG 4.35Å; Y556-L576 HydrophobicContact CE2-CB 3.72Å; Y556-L576 HydrophobicContact CG-CB 3.66Å; Y556-Y580 HydrophobicContact CD2-CD2 4.45Å; Y556-Y580 HydrophobicContact CD2-CE2 4.23Å; Y556-Y580 HydrophobicContact CE2-CE2 4.29Å
557	Y	95.7	Very high	91.4	Very high	20 Å²	20	52.9 Å²	52.9	8%	0.078	25%	0.248	C	C	.	.			trans	-114.2	146.5	173.5	-72	-110.5	0	0	0	110.5	L534 P554 Q555 C569 L570 S571 G577 S581	L534-Y557 HydrophobicContact CB-CE1 3.96Å; L534-Y557 VanDerWaalsContact CB-OH 3.31Å; L534-Y557 WeakPolarHBondContact CB-OH 3.23Å; L534-Y557 WeakPolarHBondContact O-CE1 3.38Å; P554-Y557 HydrophobicContact CB-CD2 4.25Å; P554-Y557 HydrophobicContact CG-CD1 4.33Å; P554-Y557 HydrophobicContact CG-CD2 3.54Å; P554-Y557 HydrophobicContact CG-CE2 4.03Å; P554-Y557 HydrophobicContact CG-CG 3.71Å; P554-Y557 WeakPolarHBondContact O-CB 3.33Å; P554-Y557 PolarHBondContact O-N 3.31Å; Q555-Y557 VanDerWaalsContact C-N 3.27Å; Q555-Y557 WeakPolarHBondContact O-CD2 3.26Å; Q555-Y557 PolarHBondContact O-N 3.24Å; Y557-C569 HydrophobicContact CD1-CB 4.27Å; Y557-C569 WeakPolarHBondContact CD1-O 3.36Å; Y557-L570 VanDerWaalsContact CA-O 3.27Å; Y557-L570 WeakPolarHBondContact CA-O 3.23Å; Y557-S571 VanDerWaalsContact CE1-CB 3.49Å; Y557-G577 WeakPolarHBondContact CE2-O 3.29Å; Y557-G577 PolarHBondContact OH-O 3.01Å; Y557-G577 VanDerWaalsContact OH-O 3.07Å; Y557-S581 WeakPolarHBondContact OH-CA 3.35Å; Y557-S581 WeakPolarHBondContact OH-CB 3.41Å; Y557-S581 PolarHBondContact OH-N 3.17Å
558	W	94.1	Very high	91.8	Very high	86 Å²	86	50.6 Å²	50.6	33%	0.326	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.3	171.2	66.8	93.8	0	0	0	110.8	Y533 C569 L570 T572	Y533-W558 AromaticContact CD1-CH2 3.86Å; Y533-W558 HydrophobicContact CD1-CH2 3.86Å; Y533-W558 AromaticContact CD1-CZ2 3.91Å; Y533-W558 HydrophobicContact CD1-CZ2 3.91Å; Y533-W558 AromaticContact CE1-CH2 3.49Å; Y533-W558 HydrophobicContact CE1-CH2 3.49Å; Y533-W558 VanDerWaalsContact CE1-CH2 3.49Å; Y533-W558 AromaticContact CE1-CZ2 3.37Å; Y533-W558 HydrophobicContact CE1-CZ2 3.37Å; W558-C569 WeakPolarHBondContact O-CA 3.47Å; W558-L570 HydrophobicContact CZ2-CB 4.2Å; W558-L570 PolarHBondContact N-O 3.22Å; W558-L570 PolarHBondContact O-N 3.44Å; W558-T572 HydrophobicContact CH2-CG2 3.95Å
559	P	95.4	Very high	92.1	Very high	63 Å²	63	48.9 Å²	48.9	41%	0.409	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.4	175.5	30.6	-32	0	0	0	111.1	Y539 R567 I568	Y539-P559 HydrophobicContact CE1-CB 4.18Å; P559-R567 HydrophobicContact CB-CB 4.12Å; P559-I568 CarbonylContact C-O 3.57Å; P559-I568 WeakPolarHBondContact CA-O 3.43Å
560	I	94.2	Very high	92.5	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.2	164.5	-57.3	-178.8	0	0	0	108	V442 I458 P461 R567 I568 L570	V442-I560 HydrophobicContact CG2-CB 4.17Å; V442-I560 HydrophobicContact CG2-CD1 4Å; V442-I560 HydrophobicContact CG2-CG2 3.78Å; I458-I560 HydrophobicContact CG2-CG2 3.79Å; P461-I560 HydrophobicContact CG-CD1 3.43Å; P461-I560 VanDerWaalsContact CG-CD1 3.43Å; I560-R567 CarbonylContact O-C 3.52Å; I560-R567 WeakPolarHBondContact O-CA 3.1Å; I560-I568 PolarHBondContact N-O 2.95Å; I560-I568 PolarHBondContact O-N 2.81Å; I560-L570 HydrophobicContact CD1-CD1 3.46Å; I560-L570 VanDerWaalsContact CD1-CD1 3.46Å; I560-L570 HydrophobicContact CD1-CG 4.05Å; I560-L570 HydrophobicContact CG1-CD1 4.48Å
561	T	92	Very high	92.7	Very high	73 Å²	73	40.3 Å²	40.3	45%	0.448	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137	174.3	46	0	0	0	0	109.9	I458 M566 R567	I458-T561 WeakPolarHBondContact CD1-O 3.27Å; I458-T561 WeakPolarHBondContact CD1-OG1 3.46Å; T561-M566 CarbonylContact C-O 3.56Å; T561-M566 WeakPolarHBondContact CA-O 3.41Å; T561-R567 HydrophobicContact CG2-CG 3.97Å
562	L	89.6	Confident	92.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.2	176.1	-160	77.7	0	0	0	108.9	Q444 L477 M566 I568	Q444-L562 HydrophobicContact CB-CD1 4.02Å; L477-L562 HydrophobicContact CD2-CD2 3.91Å; L562-M566 HydrophobicContact CB-CE 3.95Å; L562-M566 HydrophobicContact CD2-CE 3.63Å; L562-M566 HydrophobicContact CG-CE 4.24Å; L562-M566 PolarHBondContact N-O 3Å; L562-M566 WeakPolarHBondContact O-CB 3.29Å; L562-M566 PolarHBondContact O-N 2.97Å; L562-I568 HydrophobicContact CB-CD1 4.47Å; L562-I568 HydrophobicContact CD2-CD1 3.95Å
563	G	86.7	Confident	92.3	Very high	6 Å²	6	38.7 Å²	38.7	6%	0.062	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-145.1	-174	0	0	0	0	0	112	Q481	Q481-G563 VanDerWaalsContact OE1-CA 3.24Å
564	R	83.4	Confident	91.8	Very high	46 Å²	46	41.8 Å²	41.8	17%	0.174	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-33.8	-178.6	-49.1	-170	144.4	180	-11.8	112.8	V482 R483 E708 D709 L737	V482-R564 PolarHBondContact O-NH2 3.12Å; R483-R564 VanDerWaalsContact NH1-CG 3.27Å; R564-E708 VanDerWaalsContact CB-OE2 3.26Å; R564-E708 WeakPolarHBondContact CB-OE2 3.04Å; R564-E708 PolarHBondContact N-OE2 2.71Å; R564-D709 IonicContact CZ-OD1 3.44Å; R564-D709 IonicContact CZ-OD2 3.89Å; R564-D709 IonicContact NE-OD1 2.96Å; R564-D709 IonicContact NE-OD2 3.72Å; R564-D709 IonicContact NH1-OD1 3.77Å; R564-D709 PolarHBondContact NH1-OD1 3.29Å; R564-D709 IonicContact NH1-OD2 2.86Å; R564-L737 PolarHBondContact NH1-O 3.37Å
565	R	84.4	Confident	91.5	Very high	37 Å²	37	49.8 Å²	49.8	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-23.4	-161.7	-58.7	173.7	79	-144.1	-14	113.8	T540 D541 K542 R567 E708	T540-R565 WeakPolarHBondContact CA-O 3.27Å; T540-R565 HydrophobicContact CG2-CB 4.43Å; D541-R565 WeakPolarHBondContact OD1-CB 2.97Å; D541-R565 IonicContact OD1-CZ 2.7Å; D541-R565 IonicContact OD1-NE 3.53Å; D541-R565 PolarHBondContact OD1-NE 3.21Å; D541-R565 IonicContact OD1-NH2 3.82Å; D541-R565 PolarHBondContact OD1-NH2 2.03Å; D541-R565 IonicContact OD2-CZ 2.65Å; D541-R565 IonicContact OD2-NE 3.09Å; D541-R565 PolarHBondContact OD2-NE 3Å; D541-R565 IonicContact OD2-NH2 3.92Å; D541-R565 PolarHBondContact OD2-NH2 2.82Å; K542-R565 VanDerWaalsContact CB-NH2 3.31Å; R565-R567 PolarHBondContact O-NH1 3.09Å; R565-E708 WeakPolarHBondContact CA-OE1 3.38Å; R565-E708 WeakPolarHBondContact CB-OE1 3.06Å; R565-E708 PolarHBondContact N-OE1 2.04Å
566	M	90.5	Very high	91.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.5	-176.1	-171.3	169.3	55.2	0	0	113	L477 L538 T561 L562 I568 A705 A706 E708	L477-M566 HydrophobicContact CD2-CE 3.85Å; L538-M566 HydrophobicContact CD1-CG 4.29Å; L538-M566 HydrophobicContact CD2-SD 4.29Å; T561-M566 CarbonylContact C-O 3.56Å; T561-M566 WeakPolarHBondContact CA-O 3.41Å; L562-M566 HydrophobicContact CB-CE 3.95Å; L562-M566 HydrophobicContact CD2-CE 3.63Å; L562-M566 HydrophobicContact CG-CE 4.24Å; L562-M566 PolarHBondContact N-O 3Å; L562-M566 WeakPolarHBondContact O-CB 3.29Å; L562-M566 PolarHBondContact O-N 2.97Å; M566-I568 HydrophobicContact CE-CD1 3.96Å; M566-I568 HydrophobicContact CE-CG1 4.34Å; M566-I568 HydrophobicContact CG-CG1 4.01Å; M566-I568 HydrophobicContact SD-CD1 4.29Å; M566-I568 HydrophobicContact SD-CG1 4.17Å; M566-A705 HydrophobicContact SD-CB 4.08Å; M566-A706 HydrophobicContact CB-CB 4.46Å; M566-E708 PolarHBondContact N-OE1 3.09Å
567	R	94.3	Very high	91	Very high	56 Å²	56	42.2 Å²	42.2	21%	0.211	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.1	173.6	-69.3	170.8	-176.8	82.1	-6	108.7	L538 Y539 P559 I560 T561 R565	L538-R567 CarbonylContact C-O 3.59Å; L538-R567 WeakPolarHBondContact CA-O 3.47Å; L538-R567 VanDerWaalsContact CB-O 3.25Å; L538-R567 WeakPolarHBondContact CB-O 3.41Å; Y539-R567 HydrophobicContact CD1-CB 4.07Å; Y539-R567 HydrophobicContact CD2-CB 4.37Å; Y539-R567 HydrophobicContact CE1-CB 3.74Å; Y539-R567 HydrophobicContact CE2-CB 4.11Å; Y539-R567 HydrophobicContact CE2-CG 4.33Å; Y539-R567 HydrophobicContact CG-CB 4.36Å; Y539-R567 VanDerWaalsContact CZ-CD 3.43Å; Y539-R567 PolarHBondContact N-O 2.65Å; Y539-R567 PolarHBondContact O-N 3.26Å; Y539-R567 WeakPolarHBondContact OH-CD 3.3Å; P559-R567 HydrophobicContact CB-CB 4.12Å; I560-R567 CarbonylContact O-C 3.52Å; I560-R567 WeakPolarHBondContact O-CA 3.1Å; T561-R567 HydrophobicContact CG2-CG 3.97Å; R565-R567 PolarHBondContact O-NH1 3.09Å
568	I	94.9	Very high	90.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.1	-176.7	-60.7	179.4	0	0	0	109	V442 F535 L538 P559 I560 L562 M566 L570 F587	V442-I568 HydrophobicContact CG1-CD1 3.89Å; V442-I568 HydrophobicContact CG2-CD1 4.38Å; F535-I568 HydrophobicContact CD2-CG2 4.24Å; F535-I568 HydrophobicContact CE2-CG2 4Å; L538-I568 HydrophobicContact CB-CG1 4.35Å; P559-I568 CarbonylContact C-O 3.57Å; P559-I568 WeakPolarHBondContact CA-O 3.43Å; I560-I568 PolarHBondContact N-O 2.95Å; I560-I568 PolarHBondContact O-N 2.81Å; L562-I568 HydrophobicContact CB-CD1 4.47Å; L562-I568 HydrophobicContact CD2-CD1 3.95Å; M566-I568 HydrophobicContact CE-CD1 3.96Å; M566-I568 HydrophobicContact CE-CG1 4.34Å; M566-I568 HydrophobicContact CG-CG1 4.01Å; M566-I568 HydrophobicContact SD-CD1 4.29Å; M566-I568 HydrophobicContact SD-CG1 4.17Å; I568-L570 HydrophobicContact CG2-CD2 3.64Å; I568-L570 HydrophobicContact CG2-CG 4.13Å; I568-F587 HydrophobicContact CD1-CZ 4.25Å
569	C	96.2	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.9	-177.7	-62.6	0	0	0	0	110.8	G536 G537 C553 Y557 W558	G536-C569 PolarHBondContact N-O 2.77Å; G537-C569 VanDerWaalsContact O-CB 3.3Å; G537-C569 WeakPolarHBondContact O-CB 3.25Å; G537-C569 PolarHBondContact O-N 2.91Å; C553-C569 WeakPolarHBondContact CA-SG 3.37Å; C553-C569 HydrophobicContact CB-CB 3.67Å; C553-C569 WeakPolarHBondContact CB-SG 3.03Å; C553-C569 WeakPolarHBondContact SG-CA 3.44Å; C553-C569 WeakPolarHBondContact SG-CB 3.49Å; C553-C569 CovalentContact SG-SG 2.04Å; C553-C569 PolarHBondContact SG-SG 3.45Å; Y557-C569 HydrophobicContact CD1-CB 4.27Å; Y557-C569 WeakPolarHBondContact CD1-O 3.36Å; W558-C569 WeakPolarHBondContact O-CA 3.47Å
570	L	94.9	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.6	179.1	-56.5	-167.9	0	0	0	111.7	L439 V442 Y533 L534 F535 Y557 W558 I560 I568	L439-L570 HydrophobicContact CD2-CD1 4.34Å; L439-L570 HydrophobicContact CD2-CD2 3.53Å; V442-L570 HydrophobicContact CG2-CD1 4.46Å; Y533-L570 HydrophobicContact CD1-CB 4.03Å; Y533-L570 HydrophobicContact CD1-CD1 4.48Å; Y533-L570 HydrophobicContact CD2-CD1 3.71Å; Y533-L570 HydrophobicContact CE2-CD1 4.17Å; Y533-L570 HydrophobicContact CG-CB 4.04Å; Y533-L570 HydrophobicContact CG-CD1 3.88Å; Y533-L570 HydrophobicContact CG-CG 4.45Å; L534-L570 WeakPolarHBondContact O-CA 3.43Å; F535-L570 HydrophobicContact CD2-CD2 4.34Å; Y557-L570 VanDerWaalsContact CA-O 3.27Å; Y557-L570 WeakPolarHBondContact CA-O 3.23Å; W558-L570 HydrophobicContact CZ2-CB 4.2Å; W558-L570 PolarHBondContact N-O 3.22Å; W558-L570 PolarHBondContact O-N 3.44Å; I560-L570 HydrophobicContact CD1-CD1 3.46Å; I560-L570 VanDerWaalsContact CD1-CD1 3.46Å; I560-L570 HydrophobicContact CD1-CG 4.05Å; I560-L570 HydrophobicContact CG1-CD1 4.48Å; I568-L570 HydrophobicContact CG2-CD2 3.64Å; I568-L570 HydrophobicContact CG2-CG 4.13Å
571	S	93.4	Very high	89.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.4	171.6	-172.1	0	0	0	0	111.4	L534 Y556 Y557 D573	L534-S571 PolarHBondContact N-O 2.91Å; L534-S571 PolarHBondContact O-N 2.74Å; L534-S571 VanDerWaalsContact O-N 3.11Å; Y556-S571 VanDerWaalsContact O-CB 3.23Å; Y556-S571 WeakPolarHBondContact O-CB 3.38Å; Y556-S571 PolarHBondContact O-OG 3.38Å; Y557-S571 VanDerWaalsContact CE1-CB 3.49Å; S571-D573 PolarHBondContact OG-N 3.25Å; S571-D573 VanDerWaalsContact OG-N 3.08Å
572	T	89.8	Confident	89.9	Confident	85 Å²	85	43.4 Å²	43.4	52%	0.521	21%	0.21	S	C	.	.			trans	-91.2	-15.1	166.2	40.8	0	0	0	0	112.5	Y533 W558 R574	Y533-T572 HydrophobicContact CD1-CG2 3.77Å; Y533-T572 HydrophobicContact CE1-CG2 3.36Å; W558-T572 HydrophobicContact CH2-CG2 3.95Å; T572-R574 PolarHBondContact O-N 3Å
573	D	89.6	Confident	89.8	Confident	55 Å²	55	43.7 Å²	43.7	29%	0.294	21%	0.212	S	C	.	.			trans	-83.2	102	-174.6	-170.4	-26.7	0	0	0	110.3	L534 S571 E575 L576 G577 G578	L534-D573 VanDerWaalsContact CD1-O 3.32Å; L534-D573 WeakPolarHBondContact CD1-O 3.44Å; S571-D573 PolarHBondContact OG-N 3.25Å; S571-D573 VanDerWaalsContact OG-N 3.08Å; D573-E575 VanDerWaalsContact C-N 3.35Å; D573-E575 PolarHBondContact OD1-N 3.28Å; D573-L576 PolarHBondContact OD1-N 2.79Å; D573-L576 WeakPolarHBondContact OD2-CB 3.32Å; D573-L576 WeakPolarHBondContact OD2-CD1 3.44Å; D573-G577 WeakPolarHBondContact O-CA 3.49Å; D573-G577 PolarHBondContact O-N 3.49Å; D573-G578 PolarHBondContact O-N 3.47Å
574	R	85.4	Confident	90	Very high	85 Å²	85	43.5 Å²	43.5	32%	0.321	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.2	-178.7	-65.9	179.4	174.9	-161.6	-4.4	113.7	D530 T572 G578	D530-R574 PolarHBondContact O-NH2 3.48Å; D530-R574 IonicContact OD1-CZ 3.75Å; D530-R574 IonicContact OD1-NH1 3.64Å; D530-R574 PolarHBondContact OD1-NH1 3.38Å; D530-R574 IonicContact OD1-NH2 3.64Å; T572-R574 PolarHBondContact O-N 3Å; R574-G578 WeakPolarHBondContact O-CA 3.39Å; R574-G578 PolarHBondContact O-N 3.36Å
575	E	88.2	Confident	90.3	Very high	177 Å²	177	41.3 Å²	41.3	83%	0.827	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-53.8	-177	-62.9	-171.4	170.7	0	0	110.2	D573	D573-E575 VanDerWaalsContact C-N 3.35Å; D573-E575 PolarHBondContact OD1-N 3.28Å
576	L	90.6	Very high	90.7	Very high	82 Å²	82	39.6 Å²	39.6	43%	0.429	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-39	-176.6	-56.5	-179.8	0	0	0	112	Y556 D573	Y556-L576 HydrophobicContact CD1-CB 3.85Å; Y556-L576 HydrophobicContact CD1-CD1 3.94Å; Y556-L576 HydrophobicContact CD2-CB 3.6Å; Y556-L576 WeakPolarHBondContact CD2-O 3.25Å; Y556-L576 HydrophobicContact CE1-CB 3.96Å; Y556-L576 HydrophobicContact CE1-CD1 3.59Å; Y556-L576 HydrophobicContact CE1-CG 4.35Å; Y556-L576 HydrophobicContact CE2-CB 3.72Å; Y556-L576 HydrophobicContact CG-CB 3.66Å; D573-L576 PolarHBondContact OD1-N 2.79Å; D573-L576 WeakPolarHBondContact OD2-CB 3.32Å; D573-L576 WeakPolarHBondContact OD2-CD1 3.44Å
577	G	88	Confident	90.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-29.7	177.4	0	0	0	0	0	113.1	Y557 D573 K579 Y580 S581	Y557-G577 WeakPolarHBondContact CE2-O 3.29Å; Y557-G577 PolarHBondContact OH-O 3.01Å; Y557-G577 VanDerWaalsContact OH-O 3.07Å; D573-G577 WeakPolarHBondContact O-CA 3.49Å; D573-G577 PolarHBondContact O-N 3.49Å; G577-K579 PolarHBondContact O-N 2.8Å; G577-K579 VanDerWaalsContact O-N 3.08Å; G577-Y580 PolarHBondContact O-N 3.4Å; G577-S581 PolarHBondContact O-N 2.94Å
578	G	88.3	Confident	90.6	Very high	32 Å²	32	38 Å²	38	33%	0.33	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-52.8	-36.1	-176.2	0	0	0	0	0	114.4	D573 R574 Y580 S581	D573-G578 PolarHBondContact O-N 3.47Å; R574-G578 WeakPolarHBondContact O-CA 3.39Å; R574-G578 PolarHBondContact O-N 3.36Å; G578-Y580 PolarHBondContact O-N 2.76Å; G578-S581 WeakPolarHBondContact O-CB 3.47Å; G578-S581 PolarHBondContact O-N 3.28Å
579	K	88.6	Confident	90.4	Very high	164 Å²	164	38.1 Å²	38.1	71%	0.713	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-60.4	-30.6	176.8	-177.2	-178.8	176.5	-172	0	113.6	G577	G577-K579 PolarHBondContact O-N 2.8Å; G577-K579 VanDerWaalsContact O-N 3.08Å
580	Y	90.1	Very high	89.6	Confident	67 Å²	67	40.2 Å²	40.2	26%	0.263	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-105.1	8.8	-177.6	-53.5	-67	0	0	0	112.2	L547 P554 Q555 Y556 G577 G578 L582	L547-Y580 WeakPolarHBondContact CD2-O 3.49Å; P554-Y580 HydrophobicContact CB-CG 4.18Å; Q555-Y580 HydrophobicContact CB-CE2 4.04Å; Y556-Y580 HydrophobicContact CD2-CD2 4.45Å; Y556-Y580 HydrophobicContact CD2-CE2 4.23Å; Y556-Y580 HydrophobicContact CE2-CE2 4.29Å; G577-Y580 PolarHBondContact O-N 3.4Å; G578-Y580 PolarHBondContact O-N 2.76Å; Y580-L582 PolarHBondContact O-N 3.3Å
581	S	89.9	Confident	88.9	Confident	16 Å²	16	41.3 Å²	41.3	11%	0.112	21%	0.208	C	C	.	.			trans	-73.9	126.3	-179.9	-167.1	0	0	0	0	111.1	Y557 G577 G578 F721	Y557-S581 WeakPolarHBondContact OH-CA 3.35Å; Y557-S581 WeakPolarHBondContact OH-CB 3.41Å; Y557-S581 PolarHBondContact OH-N 3.17Å; G577-S581 PolarHBondContact O-N 2.94Å; G578-S581 WeakPolarHBondContact O-CB 3.47Å; G578-S581 PolarHBondContact O-N 3.28Å; S581-F721 WeakPolarHBondContact O-CZ 3.27Å
582	L	90.2	Very high	88.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-75.3	134.5	164.6	-61.9	-176.7	0	0	0	108.8	F535 L547 Y580 F584 Y715 V717 F721 L722	F535-L582 HydrophobicContact CD1-CB 3.95Å; F535-L582 HydrophobicContact CD1-CD1 4.31Å; F535-L582 HydrophobicContact CE1-CB 4.43Å; F535-L582 HydrophobicContact CE1-CD1 4.04Å; F535-L582 PolarHBondContact O-N 2.98Å; L547-L582 HydrophobicContact CB-CD2 4.3Å; L547-L582 HydrophobicContact CD1-CD2 3.98Å; L547-L582 HydrophobicContact CD2-CD2 4.32Å; L547-L582 HydrophobicContact CD2-CG 4.42Å; L547-L582 HydrophobicContact CG-CD2 4.44Å; Y580-L582 PolarHBondContact O-N 3.3Å; L582-F584 PolarHBondContact O-N 2.92Å; L582-Y715 HydrophobicContact CD1-CE2 4.33Å; L582-V717 HydrophobicContact CB-CG1 4.14Å; L582-V717 HydrophobicContact CD1-CG1 4.22Å; L582-F721 HydrophobicContact CD2-CD1 3.69Å; L582-F721 HydrophobicContact CD2-CE1 3.45Å; L582-F721 VanDerWaalsContact CD2-CE1 3.45Å; L582-L722 HydrophobicContact CD2-CD2 3.9Å
583	P	89.2	Confident	88.5	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.052	18%	0.183	C	C	.	.			trans	-70.3	95.1	174.2	28.2	-33.5	0	0	0	108.9	Y700 V717 Q718 F721	P583-Y700 WeakPolarHBondContact O-CE1 3.46Å; P583-V717 VanDerWaalsContact O-CA 3.32Å; P583-V717 WeakPolarHBondContact O-CA 3.34Å; P583-Q718 HydrophobicContact CB-CB 3.95Å; P583-Q718 HydrophobicContact CG-CB 3.47Å; P583-Q718 VanDerWaalsContact CG-CB 3.47Å; P583-Q718 PolarHBondContact O-N 3.5Å; P583-F721 VanDerWaalsContact CD-CD2 3.45Å; P583-F721 VanDerWaalsContact CD-CE2 3.49Å; P583-F721 HydrophobicContact CG-CB 4.15Å; P583-F721 HydrophobicContact CG-CD1 4.38Å; P583-F721 HydrophobicContact CG-CD2 3.48Å; P583-F721 VanDerWaalsContact CG-CD2 3.48Å; P583-F721 HydrophobicContact CG-CE2 3.92Å; P583-F721 HydrophobicContact CG-CG 3.73Å
584	F	91	Very high	88.6	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.6	-172.7	-179.8	-112.4	0	0	0	112.1	L437 L439 W511 F535 L582 G586 F587	L437-F584 WeakPolarHBondContact CB-O 3.49Å; L439-F584 HydrophobicContact CB-CD1 4.22Å; L439-F584 HydrophobicContact CB-CE1 4.16Å; L439-F584 HydrophobicContact CD1-CE1 3.68Å; L439-F584 HydrophobicContact CD1-CZ 3.9Å; L439-F584 HydrophobicContact CG-CE1 4.44Å; W511-F584 HydrophobicContact CE3-CE1 4.31Å; W511-F584 HydrophobicContact CE3-CZ 4.17Å; W511-F584 AromaticContact CZ3-CE1 3.86Å; W511-F584 HydrophobicContact CZ3-CE1 3.86Å; W511-F584 AromaticContact CZ3-CZ 3.94Å; W511-F584 HydrophobicContact CZ3-CZ 3.94Å; F535-F584 HydrophobicContact CB-CB 3.95Å; F535-F584 HydrophobicContact CB-CD2 4.34Å; F535-F584 HydrophobicContact CB-CG 4.25Å; F535-F584 HydrophobicContact CD1-CB 4.06Å; F535-F584 AromaticContact CD1-CD2 3.58Å; F535-F584 HydrophobicContact CD1-CD2 3.58Å; F535-F584 HydrophobicContact CD1-CE2 4.45Å; F535-F584 HydrophobicContact CD1-CG 4.19Å; F535-F584 AromaticContact CE1-CD2 3.94Å; F535-F584 HydrophobicContact CE1-CD2 3.94Å; F535-F584 HydrophobicContact CG-CB 4.31Å; F535-F584 AromaticContact CG-CD2 3.9Å; F535-F584 HydrophobicContact CG-CD2 3.9Å; F535-F584 HydrophobicContact CG-CG 4.31Å; L582-F584 PolarHBondContact O-N 2.92Å; F584-G586 VanDerWaalsContact CZ-C 3.41Å; F584-F587 HydrophobicContact CE2-CD1 4.45Å; F584-F587 AromaticContact CE2-CD2 3.78Å; F584-F587 HydrophobicContact CE2-CD2 3.78Å; F584-F587 HydrophobicContact CE2-CE1 4.28Å; F584-F587 AromaticContact CE2-CE2 3.54Å; F584-F587 HydrophobicContact CE2-CE2 3.54Å; F584-F587 HydrophobicContact CE2-CG 4.21Å; F584-F587 AromaticContact CE2-CZ 3.81Å; F584-F587 HydrophobicContact CE2-CZ 3.81Å; F584-F587 AromaticContact CZ-CD2 3.44Å; F584-F587 HydrophobicContact CZ-CD2 3.44Å; F584-F587 VanDerWaalsContact CZ-CD2 3.44Å; F584-F587 AromaticContact CZ-CE2 3.47Å; F584-F587 HydrophobicContact CZ-CE2 3.47Å; F584-F587 VanDerWaalsContact CZ-CE2 3.47Å; F584-F587 HydrophobicContact CZ-CG 4.15Å; F584-F587 HydrophobicContact CZ-CZ 4.22Å
585	G	88.9	Confident	88.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	10.9	-179.7	0	0	0	0	0	114.4	N594 P697 Y700 C716	G585-N594 PolarHBondContact O-ND2 3.05Å; G585-P697 WeakPolarHBondContact O-CD 3.4Å; G585-P697 WeakPolarHBondContact O-CG 3.3Å; G585-Y700 VanDerWaalsContact CA-CD1 3.47Å; G585-C716 PolarHBondContact N-O 3.49Å
586	G	92	Very high	88.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.3	165.8	-179.5	0	0	0	0	0	114.3	F584 C716	F584-G586 VanDerWaalsContact CZ-C 3.41Å; G586-C716 PolarHBondContact O-N 2.89Å
587	F	93.3	Very high	88.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154.3	169.5	-67	-77.1	0	0	0	110.5	L439 L477 W511 F535 L538 I568 F584 N594 N714 Y715	L439-F587 HydrophobicContact CD1-CE2 4.23Å; L439-F587 HydrophobicContact CD2-CE2 4.24Å; L477-F587 HydrophobicContact CD1-CB 3.66Å; L477-F587 HydrophobicContact CD1-CG 4.33Å; W511-F587 HydrophobicContact CB-CD2 4.11Å; W511-F587 HydrophobicContact CD2-CB 4.13Å; W511-F587 AromaticContact CD2-CD2 3.81Å; W511-F587 HydrophobicContact CD2-CD2 3.81Å; W511-F587 HydrophobicContact CD2-CG 4.47Å; W511-F587 AromaticContact CE3-CD2 3.91Å; W511-F587 HydrophobicContact CE3-CD2 3.91Å; W511-F587 HydrophobicContact CG-CB 4.37Å; W511-F587 AromaticContact CG-CD2 3.92Å; W511-F587 HydrophobicContact CG-CD2 3.92Å; W511-F587 HydrophobicContact CZ2-CB 4.2Å; W511-F587 VanDerWaalsContact CZ2-O 3.25Å; W511-F587 WeakPolarHBondContact CZ2-O 3.37Å; F535-F587 HydrophobicContact CE2-CE1 4.5Å; F535-F587 AromaticContact CE2-CZ 3.84Å; F535-F587 HydrophobicContact CE2-CZ 3.84Å; F535-F587 HydrophobicContact CZ-CE1 4.4Å; F535-F587 HydrophobicContact CZ-CZ 4.14Å; L538-F587 HydrophobicContact CD2-CE1 3.87Å; L538-F587 HydrophobicContact CD2-CZ 4.49Å; I568-F587 HydrophobicContact CD1-CZ 4.25Å; F584-F587 HydrophobicContact CE2-CD1 4.45Å; F584-F587 AromaticContact CE2-CD2 3.78Å; F584-F587 HydrophobicContact CE2-CD2 3.78Å; F584-F587 HydrophobicContact CE2-CE1 4.28Å; F584-F587 AromaticContact CE2-CE2 3.54Å; F584-F587 HydrophobicContact CE2-CE2 3.54Å; F584-F587 HydrophobicContact CE2-CG 4.21Å; F584-F587 AromaticContact CE2-CZ 3.81Å; F584-F587 HydrophobicContact CE2-CZ 3.81Å; F584-F587 AromaticContact CZ-CD2 3.44Å; F584-F587 HydrophobicContact CZ-CD2 3.44Å; F584-F587 VanDerWaalsContact CZ-CD2 3.44Å; F584-F587 AromaticContact CZ-CE2 3.47Å; F584-F587 HydrophobicContact CZ-CE2 3.47Å; F584-F587 VanDerWaalsContact CZ-CE2 3.47Å; F584-F587 HydrophobicContact CZ-CG 4.15Å; F584-F587 HydrophobicContact CZ-CZ 4.22Å; F587-N594 WeakPolarHBondContact O-CB 3.49Å; F587-N714 WeakPolarHBondContact CA-O 3.24Å; F587-Y715 VanDerWaalsContact CE1-CB 3.46Å; F587-Y715 HydrophobicContact CE1-CG 4.46Å
588	Y	91.1	Very high	87.6	Confident	24 Å²	24	19.9 Å²	19.9	9%	0.094	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.9	159.9	65	-84.6	0	0	0	109.4	K694 A702 N714	Y588-K694 HydrophobicContact CD2-CB 3.9Å; Y588-K694 HydrophobicContact CE2-CB 4.45Å; Y588-K694 VanDerWaalsContact CE2-O 3.3Å; Y588-K694 WeakPolarHBondContact CE2-O 3.44Å; Y588-A702 HydrophobicContact CE1-CB 4.15Å; Y588-A702 WeakPolarHBondContact OH-CB 3.23Å; Y588-N714 HydrophobicContact CD1-CB 4.03Å; Y588-N714 HydrophobicContact CD2-CB 4.23Å; Y588-N714 HydrophobicContact CE1-CB 3.5Å; Y588-N714 HydrophobicContact CE2-CB 3.75Å; Y588-N714 WeakPolarHBondContact CE2-ND2 3.06Å; Y588-N714 HydrophobicContact CG-CB 4.37Å; Y588-N714 PolarHBondContact N-O 2.86Å; Y588-N714 PolarHBondContact O-N 3.17Å; Y588-N714 VanDerWaalsContact O-O 3.08Å
589	S	89.3	Confident	86.6	Confident	3 Å²	3	19.4 Å²	19.4	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-178.2	179.3	75.3	0	0	0	0	112.8	L477 Y591 S592 K694 Q712	L477-S589 WeakPolarHBondContact O-CB 3.42Å; L477-S589 PolarHBondContact O-OG 3.1Å; S589-Y591 PolarHBondContact O-N 2.86Å; S589-Y591 PolarHBondContact OG-N 3.44Å; S589-S592 PolarHBondContact N-O 2.79Å; S589-S592 VanDerWaalsContact O-O 3.13Å; S589-S592 PolarHBondContact OG-N 3.42Å; S589-S592 VanDerWaalsContact OG-N 3.12Å; S589-S592 PolarHBondContact OG-OG 3.32Å; S589-K694 WeakPolarHBondContact O-CD 3.39Å; S589-K694 WeakPolarHBondContact O-CE 3.49Å; S589-Q712 CarbonylContact C-O 3.5Å; S589-Q712 WeakPolarHBondContact CA-O 3.48Å
590	C	80.6	Confident	85.6	Confident	43 Å²	43	12.1 Å²	12.1	29%	0.291	7%	0.066	S	C	.	.	S	Bend	trans	-56.9	-25.2	167.6	83.2	0	0	0	0	112.4	K694 C711 Q712	C590-K694 WeakPolarHBondContact O-CE 3.25Å; C590-K694 PolarHBondContact O-NZ 3.42Å; C590-C711 HydrophobicContact CB-CB 4.05Å; C590-C711 WeakPolarHBondContact CB-SG 3.37Å; C590-C711 PolarHBondContact N-SG 3.26Å; C590-C711 VanDerWaalsContact N-SG 3.4Å; C590-C711 WeakPolarHBondContact SG-CA 3.42Å; C590-C711 WeakPolarHBondContact SG-CB 3.25Å; C590-C711 CovalentContact SG-SG 2.04Å; C590-C711 PolarHBondContact SG-SG 2.91Å; C590-Q712 PolarHBondContact N-O 2.75Å
591	Y	80.3	Confident	84.2	Confident	23 Å²	23	11.4 Å²	11.4	9%	0.09	7%	0.066	C	C	.	.	S	Bend	trans	-94.9	-53.6	-174.7	-173	-101.6	0	0	0	110.5	L219 Q476 P479 S589 Q686 A689 K694	L219-Y591 HydrophobicContact CD2-CD2 4.32Å; L219-Y591 HydrophobicContact CD2-CE2 3.71Å; Q476-Y591 HydrophobicContact CB-CE1 4.28Å; Q476-Y591 HydrophobicContact CG-CD1 4.29Å; Q476-Y591 HydrophobicContact CG-CE1 4.03Å; P479-Y591 HydrophobicContact CB-CD2 4.31Å; S589-Y591 PolarHBondContact O-N 2.86Å; S589-Y591 PolarHBondContact OG-N 3.44Å; Y591-Q686 WeakPolarHBondContact OH-CB 3.36Å; Y591-Q686 VanDerWaalsContact OH-CD 3.26Å; Y591-Q686 WeakPolarHBondContact OH-CG 3.45Å; Y591-Q686 PolarHBondContact OH-OE1 3.08Å; Y591-A689 HydrophobicContact CD1-CB 4.44Å; Y591-A689 HydrophobicContact CE1-CB 4.17Å; Y591-K694 WeakPolarHBondContact O-CE 3.22Å; Y591-K694 PolarHBondContact O-NZ 3.31Å
592	S	86.3	Confident	82.4	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.			trans	-118.1	148	-173	58.9	0	0	0	0	114	Q476 S589 A689	Q476-S592 WeakPolarHBondContact O-CB 3.49Å; Q476-S592 PolarHBondContact O-OG 3.44Å; S589-S592 PolarHBondContact N-O 2.79Å; S589-S592 VanDerWaalsContact O-O 3.13Å; S589-S592 PolarHBondContact OG-N 3.42Å; S589-S592 VanDerWaalsContact OG-N 3.12Å; S589-S592 PolarHBondContact OG-OG 3.32Å; S592-A689 WeakPolarHBondContact CA-O 3.36Å
593	G	88.6	Confident	80.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.			trans	-86.6	178	172.7	0	0	0	0	0	114.4	P595 A689 W692 P693	G593-P595 WeakPolarHBondContact O-CD 3.43Å; G593-A689 PolarHBondContact N-O 3.42Å; G593-W692 WeakPolarHBondContact CA-O 3.35Å; G593-P693 WeakPolarHBondContact CA-O 3.1Å
594	N	90.4	Very high	78.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.			trans	-98.6	108	178.8	-176.9	1.1	0	0	0	111.3	G585 F587 L596 T597 P693 K695	G585-N594 PolarHBondContact O-ND2 3.05Å; F587-N594 WeakPolarHBondContact O-CB 3.49Å; N594-L596 PolarHBondContact O-N 3.25Å; N594-L596 VanDerWaalsContact OD1-CB 3.3Å; N594-L596 WeakPolarHBondContact OD1-CB 2.86Å; N594-L596 PolarHBondContact OD1-N 3.27Å; N594-T597 HydrophobicContact CB-CG2 4.14Å; N594-T597 WeakPolarHBondContact O-CB 3.4Å; N594-T597 WeakPolarHBondContact O-CG2 3.31Å; N594-T597 PolarHBondContact O-N 3.22Å; N594-T597 PolarHBondContact O-OG1 3.2Å; N594-P693 PolarHBondContact N-O 2.77Å; N594-K695 WeakPolarHBondContact CB-O 3.03Å
595	P	88.7	Confident	76	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	177.4	28.3	-38.2	0	0	0	114.3	I475 W511 S513 P516 G593 T597 A598 W692	I475-P595 HydrophobicContact CD1-CG 4.07Å; I475-P595 HydrophobicContact CG1-CG 3.99Å; W511-P595 HydrophobicContact CH2-CG 4.44Å; W511-P595 HydrophobicContact CZ2-CG 4.3Å; S513-P595 VanDerWaalsContact OG-CG 3.23Å; S513-P595 WeakPolarHBondContact OG-CG 3.43Å; P516-P595 HydrophobicContact CG-CB 4.43Å; G593-P595 WeakPolarHBondContact O-CD 3.43Å; P595-T597 PolarHBondContact O-N 2.99Å; P595-T597 VanDerWaalsContact O-N 3.16Å; P595-A598 PolarHBondContact O-N 2.82Å; P595-A598 VanDerWaalsContact O-N 3.16Å; P595-W692 HydrophobicContact CB-CD2 3.67Å; P595-W692 HydrophobicContact CB-CE3 4.15Å; P595-W692 HydrophobicContact CB-CG 3.96Å; P595-W692 HydrophobicContact CB-CH2 4.46Å; P595-W692 HydrophobicContact CB-CZ2 4.01Å
596	L	87.1	Confident	73.6	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-14.9	178.7	-56.8	-178.5	0	0	0	112.6	L437 W511 S513 R514 N594 A598 L599 I600 P697	L437-L596 HydrophobicContact CD1-CB 4.44Å; L437-L596 HydrophobicContact CD1-CD1 3.72Å; L437-L596 HydrophobicContact CD1-CD2 4.4Å; L437-L596 HydrophobicContact CD1-CG 4.41Å; W511-L596 HydrophobicContact CH2-CD1 4.18Å; W511-L596 HydrophobicContact CH2-CG 4.23Å; W511-L596 HydrophobicContact CZ3-CD1 4.33Å; S513-L596 WeakPolarHBondContact OG-CD2 3.24Å; R514-L596 HydrophobicContact CB-CD2 4.02Å; N594-L596 PolarHBondContact O-N 3.25Å; N594-L596 VanDerWaalsContact OD1-CB 3.3Å; N594-L596 WeakPolarHBondContact OD1-CB 2.86Å; N594-L596 PolarHBondContact OD1-N 3.27Å; L596-A598 PolarHBondContact O-N 3.29Å; L596-L599 HydrophobicContact CD2-CD1 3.63Å; L596-L599 PolarHBondContact O-N 3.03Å; L596-I600 PolarHBondContact O-N 3.25Å; L596-I600 VanDerWaalsContact O-N 3.16Å; L596-P697 HydrophobicContact CB-CG 4.22Å
597	T	82.5	Confident	71	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-34.7	172.2	56.1	0	0	0	0	112.1	N594 P595 N601 K695 P697	N594-T597 HydrophobicContact CB-CG2 4.14Å; N594-T597 WeakPolarHBondContact O-CB 3.4Å; N594-T597 WeakPolarHBondContact O-CG2 3.31Å; N594-T597 PolarHBondContact O-N 3.22Å; N594-T597 PolarHBondContact O-OG1 3.2Å; P595-T597 PolarHBondContact O-N 2.99Å; P595-T597 VanDerWaalsContact O-N 3.16Å; T597-N601 VanDerWaalsContact O-CB 3.25Å; T597-N601 WeakPolarHBondContact O-CB 3.34Å; T597-N601 PolarHBondContact O-N 3.46Å; T597-N601 PolarHBondContact O-ND2 3.11Å; T597-N601 PolarHBondContact O-OD1 3.06Å; T597-K695 HydrophobicContact CG2-CG 4.19Å; T597-K695 VanDerWaalsContact CG2-O 3.22Å; T597-K695 WeakPolarHBondContact CG2-O 3.29Å; T597-P697 HydrophobicContact CG2-CG 4.34Å
598	A	72.6	Confident	68.3	Low	27 Å²	27	46.9 Å²	46.9	22%	0.223	24%	0.244	C	C	.	.	H	α-helix	trans	-72.6	-41.1	175.2	0	0	0	0	0	111.5	P595 L596 I602 W692	P595-A598 PolarHBondContact O-N 2.82Å; P595-A598 VanDerWaalsContact O-N 3.16Å; L596-A598 PolarHBondContact O-N 3.29Å; A598-I602 WeakPolarHBondContact O-CD1 3.29Å; A598-I602 WeakPolarHBondContact O-CG1 3.48Å; A598-I602 PolarHBondContact O-N 2.85Å; A598-W692 HydrophobicContact CB-CZ3 3.81Å
599	L	69	Low	65.6	Low	22 Å²	22	52.2 Å²	52.2	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-48	-176.4	-80.6	176.7	0	0	0	113.7	R514 P516 S519 L596	R514-L599 HydrophobicContact CB-CD1 4.16Å; R514-L599 HydrophobicContact CG-CD1 4.39Å; P516-L599 HydrophobicContact CB-CD1 4.34Å; P516-L599 HydrophobicContact CB-CD2 4.09Å; P516-L599 HydrophobicContact CB-CG 3.87Å; S519-L599 VanDerWaalsContact OG-CD2 3.26Å; S519-L599 WeakPolarHBondContact OG-CD2 3.19Å; L596-L599 HydrophobicContact CD2-CD1 3.63Å; L596-L599 PolarHBondContact O-N 3.03Å
600	I	66.5	Low	62.9	Low	11 Å²	11	57.8 Å²	57.8	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-76.6	-34.6	-174.8	-68.9	162.7	0	0	0	110.8	L437 L596 N603 P697 Y700	L437-I600 HydrophobicContact CD1-CD1 3.7Å; L437-I600 HydrophobicContact CD1-CG1 4.31Å; L596-I600 PolarHBondContact O-N 3.25Å; L596-I600 VanDerWaalsContact O-N 3.16Å; I600-N603 PolarHBondContact O-N 3.13Å; I600-P697 HydrophobicContact CB-CB 3.89Å; I600-P697 HydrophobicContact CD1-CB 3.45Å; I600-P697 VanDerWaalsContact CD1-CB 3.45Å; I600-P697 HydrophobicContact CD1-CG 3.62Å; I600-P697 HydrophobicContact CG1-CB 4.24Å; I600-P697 HydrophobicContact CG2-CB 4.17Å; I600-Y700 HydrophobicContact CD1-CD2 4.31Å; I600-Y700 HydrophobicContact CD1-CE2 3.69Å
601	N	61.8	Low	60.5	Low	51 Å²	51	63 Å²	63	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-72.5	-29.6	-178.6	-67.1	3.6	0	0	0	112.5	T597 N603 Q604 V698	T597-N601 VanDerWaalsContact O-CB 3.25Å; T597-N601 WeakPolarHBondContact O-CB 3.34Å; T597-N601 PolarHBondContact O-N 3.46Å; T597-N601 PolarHBondContact O-ND2 3.11Å; T597-N601 PolarHBondContact O-OD1 3.06Å; N601-N603 VanDerWaalsContact C-N 3.27Å; N601-N603 PolarHBondContact O-N 3.1Å; N601-Q604 WeakPolarHBondContact O-CB 3.33Å; N601-Q604 PolarHBondContact O-N 3.16Å; N601-V698 WeakPolarHBondContact OD1-CG2 2.98Å; N601-V698 PolarHBondContact OD1-N 3.03Å
602	I	51.4	Low	58.3	Low	63 Å²	63	69 Å²	69	32%	0.323	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-36.6	177.3	-73.5	163.3	0	0	0	111.5	A598 Q604 T605	A598-I602 WeakPolarHBondContact O-CD1 3.29Å; A598-I602 WeakPolarHBondContact O-CG1 3.48Å; A598-I602 PolarHBondContact O-N 2.85Å; I602-Q604 PolarHBondContact O-N 2.81Å; I602-Q604 VanDerWaalsContact O-N 3.11Å; I602-T605 PolarHBondContact O-N 2.94Å; I602-T605 PolarHBondContact O-OG1 2.79Å; I602-T605 VanDerWaalsContact O-OG1 3.13Å
603	N	47	Very low	55.5	Low	90 Å²	90	78.9 Å²	78.9	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-14.5	176.8	-76.9	-9.8	0	0	0	113.6	I600 N601	I600-N603 PolarHBondContact O-N 3.13Å; N601-N603 VanDerWaalsContact C-N 3.27Å; N601-N603 PolarHBondContact O-N 3.1Å
604	Q	47.5	Very low	53	Low	79 Å²	79	85.4 Å²	85.4	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-89.9	-25.2	179.3	-65.5	-175.3	-26	0	0	113.2	N601 I602 V698	N601-Q604 WeakPolarHBondContact O-CB 3.33Å; N601-Q604 PolarHBondContact O-N 3.16Å; I602-Q604 PolarHBondContact O-N 2.81Å; I602-Q604 VanDerWaalsContact O-N 3.11Å; Q604-V698 VanDerWaalsContact NE2-CG1 3.32Å
605	T	41.1	Very low	50.3	Low	89 Å²	89	91.2 Å²	91.2	55%	0.546	48%	0.479	S	S	.	.	H	α-helix	trans	-89	-14.2	-173.1	38.8	0	0	0	0	115	I602 K607 I608	I602-T605 PolarHBondContact O-N 2.94Å; I602-T605 PolarHBondContact O-OG1 2.79Å; I602-T605 VanDerWaalsContact O-OG1 3.13Å; T605-K607 PolarHBondContact O-N 2.8Å; T605-I608 PolarHBondContact O-N 2.96Å
606	D	39.7	Very low	47.9	Very low	132 Å²	132	102.2 Å²	102.2	71%	0.706	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	9.7	-175.7	-77	-15.9	0	0	0	115.3
607	K	37.2	Very low	46.2	Very low	189 Å²	189	104.3 Å²	104.3	82%	0.822	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-2.4	177	-78.9	-173.3	177.5	175.1	0	116.5	T605	T605-K607 PolarHBondContact O-N 2.8Å
608	I	36.5	Very low	44.5	Very low	129 Å²	129	107.1 Å²	107.1	66%	0.662	55%	0.549	S	S	*	.	S	Bend	trans	-140.4	116.7	-175.8	-53.9	179.4	0	0	0	110.3	T605	T605-I608 PolarHBondContact O-N 2.96Å
609	D	34.2	Very low	43.1	Very low	136 Å²	136	112.8 Å²	112.8	73%	0.727	57%	0.572	S	S	*	*			trans	68.3	100.3	165.9	-60.7	-24.4	0	0	0	119.3	N611	D609-N611 PolarHBondContact O-N 2.9Å
610	S	31.5	Very low	42.2	Very low	120 Å²	120	117.2 Å²	117.2	84%	0.839	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	20	173.1	57	0	0	0	0	115.6
611	N	31.6	Very low	41.2	Very low	154 Å²	154	117.8 Å²	117.8	82%	0.824	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	3.9	-171.6	-84	-13.8	0	0	0	116.4	D609	D609-N611 PolarHBondContact O-N 2.9Å
612	E	33.2	Very low	40.5	Very low	148 Å²	148	120.7 Å²	120.7	69%	0.692	60%	0.599	S	S	*	*			trans	-110.9	117.4	170.6	-79.7	-169.5	154.6	0	0	111.9	H614	E612-H614 PolarHBondContact O-N 3.33Å
613	Q	28.2	Very low	40.5	Very low	208 Å²	208	121.9 Å²	121.9	97%	0.972	61%	0.605	S	S	*	*			trans	-68.6	73.3	174.8	-124.9	175.3	4.5	0	0	109.8
614	H	35.1	Very low	40.2	Very low	137 Å²	137	119.8 Å²	119.8	63%	0.634	59%	0.592	S	S	*	*			trans	-106	116.8	178.2	-87.3	49.1	0	0	0	111.7	E612	E612-H614 PolarHBondContact O-N 3.33Å
615	T	34.4	Very low	40	Very low	121 Å²	121	118.6 Å²	118.6	74%	0.742	59%	0.587	S	S	*	*			trans	52.9	68.2	159	57.1	0	0	0	0	118
616	R	38.5	Very low	39.9	Very low	232 Å²	232	120.9 Å²	120.9	88%	0.875	59%	0.591	S	S	*	*			trans	-83.9	131.5	151	-130.1	179.6	-86.7	-163.8	-5.6	107.9	P618	R616-P618 VanDerWaalsContact O-N 3.12Å
617	I	50.7	Low	39.8	Very low	47 Å²	47	123 Å²	123	24%	0.241	59%	0.59	C	S	.	*			trans	-45.9	121.2	166.5	-68.1	172.4	0	0	0	106.9	P516 E619 F621	P516-I617 HydrophobicContact CB-CD1 4.37Å; I617-E619 PolarHBondContact O-N 2.91Å; I617-F621 HydrophobicContact CG2-CB 3.5Å; I617-F621 VanDerWaalsContact CG2-CB 3.5Å; I617-F621 HydrophobicContact CG2-CD1 3.29Å; I617-F621 HydrophobicContact CG2-CD2 4.38Å; I617-F621 HydrophobicContact CG2-CE1 4.08Å; I617-F621 HydrophobicContact CG2-CG 3.47Å; I617-F621 VanDerWaalsContact CG2-CG 3.47Å
618	P	48.2	Very low	39.8	Very low	64 Å²	64	119.5 Å²	119.5	42%	0.416	58%	0.578	S	S	.	*			trans	-55	137.8	-174.2	-26.9	34.3	0	0	0	111.3	R616 W620 F621	R616-P618 VanDerWaalsContact O-N 3.12Å; P618-W620 HydrophobicContact CB-CD2 4.46Å; P618-W620 HydrophobicContact CB-CG 4.09Å; P618-W620 PolarHBondContact O-N 3.22Å; P618-F621 WeakPolarHBondContact O-CA 3.34Å; P618-F621 WeakPolarHBondContact O-CB 3.38Å; P618-F621 PolarHBondContact O-N 2.8Å
619	E	42.2	Very low	39.6	Very low	147 Å²	147	117.5 Å²	117.5	69%	0.687	58%	0.575	S	S	*	*	H	α-helix	trans	-50.2	-35.8	-177.9	-155.7	98.4	-164	0	0	112.7	I617 F621 K622 I623	I617-E619 PolarHBondContact O-N 2.91Å; E619-F621 PolarHBondContact O-N 3.16Å; E619-K622 PolarHBondContact O-N 2.81Å; E619-I623 PolarHBondContact O-N 2.89Å
620	W	50.1	Low	39.3	Very low	114 Å²	114	119.3 Å²	119.3	43%	0.432	58%	0.577	S	S	.	*	H	α-helix	trans	-62.9	-25.5	177.3	71.2	-99.8	0	0	0	113.4	P618 Q624 L687 F688 L691	P618-W620 HydrophobicContact CB-CD2 4.46Å; P618-W620 HydrophobicContact CB-CG 4.09Å; P618-W620 PolarHBondContact O-N 3.22Å; W620-Q624 HydrophobicContact CE3-CG 4.44Å; W620-Q624 WeakPolarHBondContact O-CG 3.17Å; W620-Q624 PolarHBondContact O-N 3.37Å; W620-L687 HydrophobicContact CH2-CD2 4.43Å; W620-F688 HydrophobicContact CH2-CE1 4.11Å; W620-F688 AromaticContact CZ3-CE1 3.66Å; W620-F688 HydrophobicContact CZ3-CE1 3.66Å; W620-F688 HydrophobicContact CZ3-CZ 4.31Å; W620-L691 HydrophobicContact CH2-CD1 3.95Å; W620-L691 HydrophobicContact CZ2-CD1 4.36Å
621	F	44.7	Very low	39.2	Very low	23 Å²	23	119.7 Å²	119.7	10%	0.101	57%	0.574	C	S	.	*	H	α-helix	trans	-67.4	-41.7	175.6	-168.7	-84.5	0	0	0	111.3	I617 P618 E619 Q624 Q625 F688 L691 W692	I617-F621 HydrophobicContact CG2-CB 3.5Å; I617-F621 VanDerWaalsContact CG2-CB 3.5Å; I617-F621 HydrophobicContact CG2-CD1 3.29Å; I617-F621 HydrophobicContact CG2-CD2 4.38Å; I617-F621 HydrophobicContact CG2-CE1 4.08Å; I617-F621 HydrophobicContact CG2-CG 3.47Å; I617-F621 VanDerWaalsContact CG2-CG 3.47Å; P618-F621 WeakPolarHBondContact O-CA 3.34Å; P618-F621 WeakPolarHBondContact O-CB 3.38Å; P618-F621 PolarHBondContact O-N 2.8Å; E619-F621 PolarHBondContact O-N 3.16Å; F621-Q624 PolarHBondContact O-N 2.8Å; F621-Q625 PolarHBondContact O-N 2.87Å; F621-F688 HydrophobicContact CD2-CD1 4Å; F621-F688 AromaticContact CD2-CE1 3.96Å; F621-F688 HydrophobicContact CD2-CE1 3.96Å; F621-F688 AromaticContact CE2-CD1 3.7Å; F621-F688 HydrophobicContact CE2-CD1 3.7Å; F621-F688 HydrophobicContact CE2-CE1 4.09Å; F621-L691 HydrophobicContact CD2-CD1 4.15Å; F621-L691 HydrophobicContact CE2-CD1 4.06Å; F621-W692 HydrophobicContact CE2-CZ2 4.21Å; F621-W692 AromaticContact CZ-CZ2 3.81Å; F621-W692 HydrophobicContact CZ-CZ2 3.81Å
622	K	48.8	Very low	39	Very low	112 Å²	112	120.4 Å²	120.4	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-63.3	-45.1	175.3	-74	-174.4	175.7	-175.4	0	111.6	E619 Q624 Q625 E626	E619-K622 PolarHBondContact O-N 2.81Å; K622-Q624 VanDerWaalsContact C-N 3.28Å; K622-Q624 PolarHBondContact O-N 2.77Å; K622-Q625 PolarHBondContact O-N 2.85Å; K622-E626 PolarHBondContact O-N 2.81Å
623	I	49.4	Very low	39.1	Very low	88 Å²	88	118 Å²	118	45%	0.451	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-34.6	-178.4	-63.2	170.8	0	0	0	111.9	E619	E619-I623 PolarHBondContact O-N 2.89Å
624	Q	41.1	Very low	39.4	Very low	46 Å²	46	113.6 Å²	113.6	22%	0.215	56%	0.564	C	S	.	*	H	α-helix	trans	-82.2	-30.4	-179.6	-67.7	-64.1	-17.5	0	0	113.1	W620 F621 K622 E626 R627 F688	W620-Q624 HydrophobicContact CE3-CG 4.44Å; W620-Q624 WeakPolarHBondContact O-CG 3.17Å; W620-Q624 PolarHBondContact O-N 3.37Å; F621-Q624 PolarHBondContact O-N 2.8Å; K622-Q624 VanDerWaalsContact C-N 3.28Å; K622-Q624 PolarHBondContact O-N 2.77Å; Q624-E626 VanDerWaalsContact C-N 3.32Å; Q624-E626 PolarHBondContact O-N 3.27Å; Q624-R627 PolarHBondContact O-N 2.9Å; Q624-F688 HydrophobicContact CB-CZ 3.92Å
625	Q	44	Very low	39.6	Very low	55 Å²	55	112.8 Å²	112.8	26%	0.257	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-39.1	175.1	-158.8	174	-4.3	0	0	111.4	D515 F621 K622 R627 M628	D515-Q625 PolarHBondContact OD2-NE2 2.74Å; F621-Q625 PolarHBondContact O-N 2.87Å; K622-Q625 PolarHBondContact O-N 2.85Å; Q625-R627 VanDerWaalsContact C-N 3.28Å; Q625-R627 PolarHBondContact O-N 2.91Å; Q625-M628 PolarHBondContact O-N 3.09Å
626	E	38.5	Very low	40	Very low	137 Å²	137	113.1 Å²	113.1	64%	0.64	58%	0.575	S	S	*	*	H	α-helix	trans	-64.9	-27.5	175.8	-70.6	177.3	171.2	0	0	113.6	K622 Q624 S629	K622-E626 PolarHBondContact O-N 2.81Å; Q624-E626 VanDerWaalsContact C-N 3.32Å; Q624-E626 PolarHBondContact O-N 3.27Å; E626-S629 PolarHBondContact O-OG 3.08Å
627	R	38.5	Very low	40.1	Very low	176 Å²	176	107.2 Å²	107.2	66%	0.664	57%	0.569	S	S	*	*	H	α-helix	trans	-76.4	-21.3	177.6	-77.1	-176.3	176.2	179.5	-0.2	113.9	Q624 Q625 S629	Q624-R627 PolarHBondContact O-N 2.9Å; Q625-R627 VanDerWaalsContact C-N 3.28Å; Q625-R627 PolarHBondContact O-N 2.91Å; R627-S629 VanDerWaalsContact C-N 3.33Å
628	M	35.7	Very low	39.7	Very low	116 Å²	116	110 Å²	110	57%	0.571	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-13.2	178.5	-74.3	-175.7	-86.6	0	0	113.4	Q625 F688	Q625-M628 PolarHBondContact O-N 3.09Å; M628-F688 HydrophobicContact CE-CD2 4.27Å; M628-F688 HydrophobicContact CE-CE2 3.64Å; M628-F688 HydrophobicContact CE-CZ 4.34Å
629	S	32.4	Very low	39.4	Very low	87 Å²	87	112.3 Å²	112.3	61%	0.608	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	6.9	-178.8	25.4	0	0	0	0	115.7	E626 R627	E626-S629 PolarHBondContact O-OG 3.08Å; R627-S629 VanDerWaalsContact C-N 3.33Å
630	F	28.3	Very low	39.4	Very low	174 Å²	174	110.3 Å²	110.3	76%	0.763	61%	0.613	S	S	*	*			trans	-94.3	101.3	176.1	-91.3	-87.9	0	0	0	112.1	L632	F630-L632 PolarHBondContact O-N 3.13Å
631	T	29.2	Very low	39.3	Very low	128 Å²	128	110.3 Å²	110.3	79%	0.785	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-51.7	117.6	153.7	41.5	0	0	0	0	108.9	P633	T631-P633 WeakPolarHBondContact O-CD 3.2Å
632	L	28.9	Very low	39.8	Very low	168 Å²	168	115 Å²	115	88%	0.88	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-56.1	119.3	170.3	-86	148.1	0	0	0	109	F630	F630-L632 PolarHBondContact O-N 3.13Å
633	P	34.5	Very low	40	Very low	99 Å²	99	115.3 Å²	115.3	64%	0.643	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-66.6	150.8	166.2	28.7	-30.8	0	0	0	109.1	T631	T631-P633 WeakPolarHBondContact O-CD 3.2Å
634	P	35.3	Very low	40.3	Very low	114 Å²	114	116.7 Å²	116.7	74%	0.74	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-59.3	149.9	178.3	25.3	-32.3	0	0	0	110.7
635	P	38.7	Very low	41.2	Very low	121 Å²	121	120.2 Å²	120.2	79%	0.786	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.5	-170.6	24.3	-32.2	0	0	0	110.8	S637	P635-S637 PolarHBondContact O-N 3.02Å
636	P	41.8	Very low	41.8	Very low	128 Å²	128	123.4 Å²	123.4	83%	0.831	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.7	179.3	26.9	-30.6	0	0	0	110	S638	P636-S638 PolarHBondContact O-N 3.05Å
637	S	41.4	Very low	42.4	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.2	168	40.4	0	0	0	0	110.8	P635	P635-S637 PolarHBondContact O-N 3.02Å
638	S	41.3	Very low	42.9	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	76%	0.757	S	S	*	*			trans	33.1	104.7	150.5	60.9	0	0	0	0	118.1	P636	P636-S638 PolarHBondContact O-N 3.05Å
639	S	42.4	Very low	43	Very low	113 Å²	113	122.8 Å²	122.8	79%	0.79	77%	0.773	S	S	*	*				160	131.2	115.5	52.7	0	0	0	0	113.5
640	S	42.7	Very low	43.3	Very low	106 Å²	106	124.3 Å²	124.3	74%	0.741	78%	0.78	S	S	*	*			trans	64.5	114.1	149.6	53.7	0	0	0	0	122.2
641	S	48.6	Very low	43.5	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	79%	0.786	S	S	*	*			trans	92.3	124.5	145	71.6	0	0	0	0	119.6
642	P	55.1	Low	43.9	Very low	122 Å²	122	127.1 Å²	127.1	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87.8	145.9	178	33.8	-31	0	0	0	112.4
643	P	52.3	Low	44.3	Very low	118 Å²	118	127.4 Å²	127.4	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83	156.4	171.9	33.6	-32.1	0	0	0	112.3
644	P	56.4	Low	44.1	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.7	161.2	-174.2	34.6	-36.4	0	0	0	113.9
645	P	59.3	Low	43.9	Very low	121 Å²	121	133.4 Å²	133.4	79%	0.786	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.5	149.7	-173.8	31.2	-34	0	0	0	114
646	P	56.1	Low	43.5	Very low	121 Å²	121	135.4 Å²	135.4	79%	0.786	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.5	154.9	177.4	32.1	-32.4	0	0	0	113.3
647	P	51.5	Low	43.1	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-85.7	158.4	-174.4	34.5	-35	0	0	0	114.2
648	P	48	Very low	42.5	Very low	130 Å²	130	142.1 Å²	142.1	84%	0.844	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.7	143.1	-177.9	33.7	-31.4	0	0	0	113.5
649	L	39.7	Very low	41.9	Very low	171 Å²	171	145.5 Å²	145.5	90%	0.895	81%	0.805	S	S	*	*			trans	-111.1	152.1	171.9	-95.2	126	0	0	0	112.5
650	P	38.7	Very low	41.3	Very low	118 Å²	118	149.7 Å²	149.7	77%	0.766	81%	0.811	S	S	*	*			trans	-98	153.5	-154.8	9.9	10.3	0	0	0	115.1
651	Q	31.3	Very low	40.7	Very low	191 Å²	191	148.1 Å²	148.1	89%	0.893	81%	0.812	S	S	*	*			trans	-80.3	137.8	171.6	-66.5	173.3	-7.4	0	0	111.6
652	Q	38.8	Very low	39.6	Very low	171 Å²	171	149.7 Å²	149.7	80%	0.799	82%	0.817	S	S	*	*			trans	-158.5	127.3	147.7	-107	175.8	30.9	0	0	113.6
653	Q	36.3	Very low	38.3	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	82%	0.823	S	S	*	*			trans	83.3	111.5	140.7	-70.8	172.5	8.7	0	0	122.5
654	Q	29.8	Very low	37.1	Very low	176 Å²	176	159.3 Å²	159.3	82%	0.822	83%	0.833	S	S	*	*			trans	-74.1	148.1	156.8	-67.2	168.6	-15.3	0	0	111.2
655	Q	30.7	Very low	35.7	Very low	163 Å²	163	159.3 Å²	159.3	76%	0.762	84%	0.835	S	S	*	*				162.6	150.3	111.2	-90.9	-175.3	-0.8	0	0	113.8
656	Q	31.4	Very low	34.2	Very low	163 Å²	163	162.7 Å²	162.7	76%	0.762	84%	0.843	S	S	*	*			trans	90.7	106.3	160.7	-65.8	174.3	21.9	0	0	119.4
657	Q	33.4	Very low	33.1	Very low	190 Å²	190	165.3 Å²	165.3	89%	0.888	85%	0.849	S	S	*	*				178.6	147	100.7	-98.3	169.7	3	0	0	113.3
658	Q	28.4	Very low	31.8	Very low	186 Å²	186	169.4 Å²	169.4	87%	0.869	85%	0.85	S	S	*	*			trans	-90.8	166.9	-173.3	-86.4	167.6	-49.1	0	0	113.5
659	E	28.3	Very low	31	Very low	176 Å²	176	170.2 Å²	170.2	82%	0.822	85%	0.847	S	S	*	*			trans	81.5	97.2	157	-75.2	178.1	173.7	0	0	120.1
660	H	30.6	Very low	30.5	Very low	200 Å²	200	167.4 Å²	167.4	93%	0.926	83%	0.833	S	S	*	*				173.9	137.1	128	-100.6	-70	0	0	0	111.5
661	G	29.8	Very low	30.1	Very low	73 Å²	73	169 Å²	169	75%	0.753	84%	0.835	S	S	*	*			trans	101.2	103.3	141.2	0	0	0	0	0	118.9	M663	G661-M663 PolarHBondContact O-N 3.28Å
662	T	25.1	Very low	30	Very low	147 Å²	147	166.7 Å²	166.7	90%	0.902	83%	0.828	S	S	*	*	S	Bend	trans	-63.6	95.6	175.1	-28.5	0	0	0	0	113.4
663	M	28.3	Very low	29.5	Very low	188 Å²	188	163.7 Å²	163.7	93%	0.926	82%	0.821	S	S	*	*			trans	-176.8	62.2	156.3	-117.7	-163.7	-77	0	0	112.5	G661	G661-M663 PolarHBondContact O-N 3.28Å
664	R	27.1	Very low	29.1	Very low	254 Å²	254	161.4 Å²	161.4	96%	0.958	82%	0.822	S	S	*	*			trans	-152	85.6	171.7	-106.2	179.6	-168.7	173.8	4.2	111
665	S	26.8	Very low	29.2	Very low	116 Å²	116	160.8 Å²	160.8	81%	0.811	82%	0.817	S	S	*	*			trans	-158.5	65.9	171.1	177.5	0	0	0	0	110.8
666	M	28.5	Very low	29.1	Very low	193 Å²	193	160.2 Å²	160.2	95%	0.951	82%	0.819	S	S	*	*	S	Bend	trans	-146	14.2	162.9	-74	-162.6	-172.7	0	0	113.6
667	L	32	Very low	29	Very low	176 Å²	176	160.4 Å²	160.4	92%	0.921	83%	0.825	S	S	*	*	S	Bend	trans	-138.1	66.8	176.6	-78.1	164.5	0	0	0	109.2
668	R	25.4	Very low	28.8	Very low	202 Å²	202	159.8 Å²	159.8	76%	0.762	82%	0.822	S	S	*	*			trans	-152	70.8	166.2	-132.3	-170.9	-154.9	-129.7	12.6	109.7	D670	R668-D670 WeakPolarHBondContact CD-OD2 3.48Å; R668-D670 WeakPolarHBondContact CG-OD2 3.29Å; R668-D670 IonicContact CZ-OD2 3.07Å; R668-D670 IonicContact NE-OD2 3.38Å; R668-D670 IonicContact NH1-OD2 3.43Å; R668-D670 PolarHBondContact NH1-OD2 3.46Å; R668-D670 PolarHBondContact O-N 3.33Å
669	N	29.9	Very low	28.8	Very low	147 Å²	147	159.8 Å²	159.8	79%	0.786	82%	0.819	S	S	*	*			trans	-87.8	87.9	156.1	-100.8	1.5	0	0	0	106.7	N671	N669-N671 PolarHBondContact O-N 2.96Å
670	D	30.1	Very low	28.8	Very low	112 Å²	112	157.7 Å²	157.7	60%	0.599	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	27.4	175	-75.3	-27	0	0	0	112.4	R668	R668-D670 WeakPolarHBondContact CD-OD2 3.48Å; R668-D670 WeakPolarHBondContact CG-OD2 3.29Å; R668-D670 IonicContact CZ-OD2 3.07Å; R668-D670 IonicContact NE-OD2 3.38Å; R668-D670 IonicContact NH1-OD2 3.43Å; R668-D670 PolarHBondContact NH1-OD2 3.46Å; R668-D670 PolarHBondContact O-N 3.33Å
671	N	29.4	Very low	29	Very low	152 Å²	152	157 Å²	157	81%	0.813	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	15.3	-179.7	-81.2	-11	0	0	0	114.2	N669 T673	N669-N671 PolarHBondContact O-N 2.96Å; N671-T673 PolarHBondContact O-N 3.49Å; N671-T673 VanDerWaalsContact O-N 3.09Å
672	L	30.8	Very low	29	Very low	142 Å²	142	160.2 Å²	160.2	74%	0.743	82%	0.815	S	S	*	*			trans	-75	95.9	163	-84.1	147.6	0	0	0	108.3
673	T	27.7	Very low	29.7	Very low	107 Å²	107	156.9 Å²	156.9	66%	0.656	79%	0.792	S	S	*	*			trans	-47.5	137.6	162.2	44.1	0	0	0	0	109.6	N671 F675	N671-T673 PolarHBondContact O-N 3.49Å; N671-T673 VanDerWaalsContact O-N 3.09Å; T673-F675 PolarHBondContact O-N 2.87Å
674	P	28.3	Very low	30.2	Very low	126 Å²	126	151.9 Å²	151.9	82%	0.818	77%	0.765	S	S	*	*			trans	-64.2	114.3	-177.6	2.8	8.2	0	0	0	108.7	N676	P674-N676 PolarHBondContact O-N 3.45Å
675	F	31.1	Very low	30.8	Very low	164 Å²	164	141.7 Å²	141.7	72%	0.719	73%	0.733	S	S	*	*			trans	-61.2	120.2	167.4	-94.1	-91.1	0	0	0	108	T673 D677	T673-F675 PolarHBondContact O-N 2.87Å; F675-D677 PolarHBondContact O-N 3.34Å
676	N	28.2	Very low	31.9	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	71%	0.709	S	S	*	*			trans	-49.4	134	176.5	-93.5	-18.2	0	0	0	112.1	P674 Q678	P674-N676 PolarHBondContact O-N 3.45Å; N676-Q678 VanDerWaalsContact C-N 3.28Å; N676-Q678 PolarHBondContact O-N 2.78Å
677	D	28.8	Very low	32.9	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	69%	0.688	S	S	*	*	S	Bend	trans	-63.5	56.9	-176.7	-80.6	-43.3	0	0	0	115.7	F675	F675-D677 PolarHBondContact O-N 3.34Å
678	Q	29.1	Very low	33.8	Very low	177 Å²	177	127.4 Å²	127.4	83%	0.827	65%	0.649	S	S	*	*			trans	-135.2	12	176.3	-84.3	-172.5	-29.2	0	0	117.6	N676 V680	N676-Q678 VanDerWaalsContact C-N 3.28Å; N676-Q678 PolarHBondContact O-N 2.78Å; Q678-V680 PolarHBondContact O-N 3.48Å
679	F	29.2	Very low	35.1	Very low	186 Å²	186	118 Å²	118	82%	0.816	61%	0.614	S	S	*	*			trans	-95.8	82.8	167.3	-84.4	-84.8	0	0	0	111.5
680	V	29.3	Very low	36.4	Very low	132 Å²	132	114.3 Å²	114.3	80%	0.8	60%	0.604	S	S	*	*			trans	-96.9	95.7	170.8	177.3	0	0	0	0	108.9	Q678	Q678-V680 PolarHBondContact O-N 3.48Å
681	Q	33.2	Very low	38.4	Very low	187 Å²	187	113 Å²	113	87%	0.874	60%	0.596	S	S	*	*	S	Bend	trans	-166.7	124.3	131.3	-138.6	154	-19.6	0	0	109.3	D683	Q681-D683 PolarHBondContact O-N 3.47Å
682	N	29.6	Very low	40.8	Very low	139 Å²	139	107.3 Å²	107.3	74%	0.743	56%	0.564	S	S	*	*			trans	-62.2	114.4	-164.3	-60.1	-45.8	0	0	0	114	F684	N682-F684 HydrophobicContact CB-CD2 4.16Å; N682-F684 HydrophobicContact CB-CE2 3.99Å
683	D	40.5	Very low	43.3	Very low	78 Å²	78	103.3 Å²	103.3	42%	0.417	55%	0.547	S	S	.	.			trans	-130.9	79.3	158.3	-166.5	9.2	0	0	0	110.3	Q681 S685	Q681-D683 PolarHBondContact O-N 3.47Å; D683-S685 PolarHBondContact O-N 2.88Å; D683-S685 WeakPolarHBondContact OD1-CB 3.28Å; D683-S685 PolarHBondContact OD1-N 2.95Å; D683-S685 PolarHBondContact OD1-OG 3.19Å
684	F	38.5	Very low	46.1	Very low	82 Å²	82	103.1 Å²	103.1	36%	0.36	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.2	177.4	-69.8	-80	0	0	0	112.8	N682 Q686 L687 F688	N682-F684 HydrophobicContact CB-CD2 4.16Å; N682-F684 HydrophobicContact CB-CE2 3.99Å; F684-Q686 PolarHBondContact O-N 3.45Å; F684-Q686 VanDerWaalsContact O-N 3.09Å; F684-L687 HydrophobicContact CD1-CD2 4.35Å; F684-L687 WeakPolarHBondContact O-CB 3.38Å; F684-L687 PolarHBondContact O-N 3.01Å; F684-F688 VanDerWaalsContact C-CD2 3.41Å; F684-F688 HydrophobicContact CB-CD2 3.72Å; F684-F688 HydrophobicContact CB-CE2 3.22Å; F684-F688 HydrophobicContact CB-CZ 3.95Å; F684-F688 HydrophobicContact CG-CE2 4.27Å; F684-F688 WeakPolarHBondContact O-CD2 3.4Å; F684-F688 WeakPolarHBondContact O-CG 3.27Å; F684-F688 PolarHBondContact O-N 3.48Å
685	S	41	Very low	48.7	Very low	40 Å²	40	101 Å²	101	28%	0.28	51%	0.514	S	S	.	.	H	α-helix	trans	-52.3	-35.2	-179.7	-48.6	0	0	0	0	112.1	D683 F688 A689	D683-S685 PolarHBondContact O-N 2.88Å; D683-S685 WeakPolarHBondContact OD1-CB 3.28Å; D683-S685 PolarHBondContact OD1-N 2.95Å; D683-S685 PolarHBondContact OD1-OG 3.19Å; S685-F688 PolarHBondContact O-N 3.02Å; S685-A689 WeakPolarHBondContact O-CB 3.2Å; S685-A689 PolarHBondContact O-N 3.46Å
686	Q	48.8	Very low	51.3	Low	64 Å²	64	94 Å²	94	30%	0.299	49%	0.486	S	S	.	.	H	α-helix	trans	-71.4	-42.3	179.3	-49.1	-162.1	4.7	0	0	112.5	Y591 F684 F688 A689 A690	Y591-Q686 WeakPolarHBondContact OH-CB 3.36Å; Y591-Q686 VanDerWaalsContact OH-CD 3.26Å; Y591-Q686 WeakPolarHBondContact OH-CG 3.45Å; Y591-Q686 PolarHBondContact OH-OE1 3.08Å; F684-Q686 PolarHBondContact O-N 3.45Å; F684-Q686 VanDerWaalsContact O-N 3.09Å; Q686-F688 VanDerWaalsContact C-N 3.28Å; Q686-F688 PolarHBondContact O-N 2.99Å; Q686-A689 PolarHBondContact O-N 3.04Å; Q686-A690 PolarHBondContact O-N 2.83Å
687	L	49	Very low	53.9	Low	97 Å²	97	87 Å²	87	51%	0.508	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-43.1	173.7	-168.6	74	0	0	0	109.5	W620 F684 A690 L691	W620-L687 HydrophobicContact CH2-CD2 4.43Å; F684-L687 HydrophobicContact CD1-CD2 4.35Å; F684-L687 WeakPolarHBondContact O-CB 3.38Å; F684-L687 PolarHBondContact O-N 3.01Å; L687-A690 PolarHBondContact O-N 3.47Å; L687-L691 WeakPolarHBondContact O-CG 3.27Å; L687-L691 PolarHBondContact O-N 3.1Å
688	F	51.9	Low	56.2	Low	24 Å²	24	80.6 Å²	80.6	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-36.8	179.8	-64.2	-54.9	0	0	0	113.5	W620 F621 Q624 M628 F684 S685 Q686 A690 L691	W620-F688 HydrophobicContact CH2-CE1 4.11Å; W620-F688 AromaticContact CZ3-CE1 3.66Å; W620-F688 HydrophobicContact CZ3-CE1 3.66Å; W620-F688 HydrophobicContact CZ3-CZ 4.31Å; F621-F688 HydrophobicContact CD2-CD1 4Å; F621-F688 AromaticContact CD2-CE1 3.96Å; F621-F688 HydrophobicContact CD2-CE1 3.96Å; F621-F688 AromaticContact CE2-CD1 3.7Å; F621-F688 HydrophobicContact CE2-CD1 3.7Å; F621-F688 HydrophobicContact CE2-CE1 4.09Å; Q624-F688 HydrophobicContact CB-CZ 3.92Å; M628-F688 HydrophobicContact CE-CD2 4.27Å; M628-F688 HydrophobicContact CE-CE2 3.64Å; M628-F688 HydrophobicContact CE-CZ 4.34Å; F684-F688 VanDerWaalsContact C-CD2 3.41Å; F684-F688 HydrophobicContact CB-CD2 3.72Å; F684-F688 HydrophobicContact CB-CE2 3.22Å; F684-F688 HydrophobicContact CB-CZ 3.95Å; F684-F688 HydrophobicContact CG-CE2 4.27Å; F684-F688 WeakPolarHBondContact O-CD2 3.4Å; F684-F688 WeakPolarHBondContact O-CG 3.27Å; F684-F688 PolarHBondContact O-N 3.48Å; S685-F688 PolarHBondContact O-N 3.02Å; Q686-F688 VanDerWaalsContact C-N 3.28Å; Q686-F688 PolarHBondContact O-N 2.99Å; F688-A690 VanDerWaalsContact C-N 3.27Å; F688-A690 PolarHBondContact O-N 3.15Å; F688-L691 HydrophobicContact CD1-CD1 3.75Å; F688-L691 HydrophobicContact CE1-CD1 4.49Å; F688-L691 PolarHBondContact O-N 2.94Å
689	A	52.1	Low	58.4	Low	4 Å²	4	72.5 Å²	72.5	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-34.1	175.8	0	0	0	0	0	112.6	Y591 S592 G593 S685 Q686	Y591-A689 HydrophobicContact CD1-CB 4.44Å; Y591-A689 HydrophobicContact CE1-CB 4.17Å; S592-A689 WeakPolarHBondContact CA-O 3.36Å; G593-A689 PolarHBondContact N-O 3.42Å; S685-A689 WeakPolarHBondContact O-CB 3.2Å; S685-A689 PolarHBondContact O-N 3.46Å; Q686-A689 PolarHBondContact O-N 3.04Å
690	A	58.3	Low	60.9	Low	70 Å²	70	64.7 Å²	64.7	58%	0.579	35%	0.345	S	S	*	.	H	α-helix	trans	-79.1	-16.1	179.4	0	0	0	0	0	114.2	Q686 L687 F688	Q686-A690 PolarHBondContact O-N 2.83Å; L687-A690 PolarHBondContact O-N 3.47Å; F688-A690 VanDerWaalsContact C-N 3.27Å; F688-A690 PolarHBondContact O-N 3.15Å
691	L	70.5	Confident	63.2	Low	84 Å²	84	59.3 Å²	59.3	44%	0.44	31%	0.312	S	S	.	.	H	α-helix	trans	-71.7	-28.7	-177.8	-71.6	170.4	0	0	0	113.4	W620 F621 L687 F688	W620-L691 HydrophobicContact CH2-CD1 3.95Å; W620-L691 HydrophobicContact CZ2-CD1 4.36Å; F621-L691 HydrophobicContact CD2-CD1 4.15Å; F621-L691 HydrophobicContact CE2-CD1 4.06Å; L687-L691 WeakPolarHBondContact O-CG 3.27Å; L687-L691 PolarHBondContact O-N 3.1Å; F688-L691 HydrophobicContact CD1-CD1 3.75Å; F688-L691 HydrophobicContact CE1-CD1 4.49Å; F688-L691 PolarHBondContact O-N 2.94Å
692	W	80.5	Confident	65.6	Low	33 Å²	33	51 Å²	51	13%	0.125	28%	0.276	C	S	.	.	S	Bend	trans	-83.6	143.2	-173.7	-59.2	112.3	0	0	0	111.8	P516 G593 P595 A598 F621 K694	P516-W692 HydrophobicContact CB-CH2 4.43Å; P516-W692 HydrophobicContact CG-CH2 3.81Å; P516-W692 HydrophobicContact CG-CZ2 3.95Å; G593-W692 WeakPolarHBondContact CA-O 3.35Å; P595-W692 HydrophobicContact CB-CD2 3.67Å; P595-W692 HydrophobicContact CB-CE3 4.15Å; P595-W692 HydrophobicContact CB-CG 3.96Å; P595-W692 HydrophobicContact CB-CH2 4.46Å; P595-W692 HydrophobicContact CB-CZ2 4.01Å; A598-W692 HydrophobicContact CB-CZ3 3.81Å; F621-W692 HydrophobicContact CE2-CZ2 4.21Å; F621-W692 AromaticContact CZ-CZ2 3.81Å; F621-W692 HydrophobicContact CZ-CZ2 3.81Å; W692-K694 PolarHBondContact O-N 2.65Å
693	P	84	Confident	68.1	Low	59 Å²	59	46 Å²	46	38%	0.383	25%	0.248	S	C	.	.			trans	-59.8	132.4	172.6	-24.5	34.5	0	0	0	112	G593 N594 K695	G593-P693 WeakPolarHBondContact CA-O 3.1Å; N594-P693 PolarHBondContact N-O 2.77Å; P693-K695 HydrophobicContact CB-CD 4.36Å; P693-K695 HydrophobicContact CB-CG 3.85Å; P693-K695 PolarHBondContact O-N 3.19Å
694	K	85.3	Confident	70	Confident	102 Å²	102	43.6 Å²	43.6	44%	0.443	24%	0.235	S	C	.	.	S	Bend	trans	-80.3	58.9	173.8	-68.9	174.8	178.8	169.2	0	111.2	Y588 S589 C590 Y591 W692	Y588-K694 HydrophobicContact CD2-CB 3.9Å; Y588-K694 HydrophobicContact CE2-CB 4.45Å; Y588-K694 VanDerWaalsContact CE2-O 3.3Å; Y588-K694 WeakPolarHBondContact CE2-O 3.44Å; S589-K694 WeakPolarHBondContact O-CD 3.39Å; S589-K694 WeakPolarHBondContact O-CE 3.49Å; C590-K694 WeakPolarHBondContact O-CE 3.25Å; C590-K694 PolarHBondContact O-NZ 3.42Å; Y591-K694 WeakPolarHBondContact O-CE 3.22Å; Y591-K694 PolarHBondContact O-NZ 3.31Å; W692-K694 PolarHBondContact O-N 2.65Å
695	K	84.6	Confident	72.1	Confident	81 Å²	81	39.7 Å²	39.7	35%	0.352	22%	0.218	S	C	.	.	S	Bend	trans	-149.1	168.4	-179.1	68.5	-179.5	-168.3	171.7	0	112.1	E424 N594 T597 P693	E424-K695 IonicContact OE1-NZ 3.26Å; E424-K695 PolarHBondContact OE1-NZ 2.89Å; N594-K695 WeakPolarHBondContact CB-O 3.03Å; T597-K695 HydrophobicContact CG2-CG 4.19Å; T597-K695 VanDerWaalsContact CG2-O 3.22Å; T597-K695 WeakPolarHBondContact CG2-O 3.29Å; P693-K695 HydrophobicContact CB-CD 4.36Å; P693-K695 HydrophobicContact CB-CG 3.85Å; P693-K695 PolarHBondContact O-N 3.19Å
696	C	85	Confident	73.9	Confident	18 Å²	18	37.9 Å²	37.9	12%	0.122	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-78.3	153.2	172.4	-66.7	0	0	0	0	112.5	A702 C716	C696-A702 WeakPolarHBondContact SG-CA 3.27Å; C696-A702 VanDerWaalsContact SG-CB 3.56Å; C696-C716 WeakPolarHBondContact CA-SG 3.19Å; C696-C716 HydrophobicContact CB-CB 3.75Å; C696-C716 WeakPolarHBondContact CB-SG 3.48Å; C696-C716 VanDerWaalsContact SG-CA 3.51Å; C696-C716 WeakPolarHBondContact SG-CB 3.36Å; C696-C716 CovalentContact SG-SG 2.03Å; C696-C716 PolarHBondContact SG-SG 3.41Å
697	P	83.6	Confident	75.2	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.019	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-63	160.8	170.3	-15.9	30.3	0	0	0	111.3	G585 L596 T597 I600 G699 Y700	G585-P697 WeakPolarHBondContact O-CD 3.4Å; G585-P697 WeakPolarHBondContact O-CG 3.3Å; L596-P697 HydrophobicContact CB-CG 4.22Å; T597-P697 HydrophobicContact CG2-CG 4.34Å; I600-P697 HydrophobicContact CB-CB 3.89Å; I600-P697 HydrophobicContact CD1-CB 3.45Å; I600-P697 VanDerWaalsContact CD1-CB 3.45Å; I600-P697 HydrophobicContact CD1-CG 3.62Å; I600-P697 HydrophobicContact CG1-CB 4.24Å; I600-P697 HydrophobicContact CG2-CB 4.17Å; P697-G699 PolarHBondContact O-N 3.46Å; P697-Y700 HydrophobicContact CB-CD2 4.14Å; P697-Y700 HydrophobicContact CG-CD2 4.46Å; P697-Y700 PolarHBondContact O-N 2.74Å; P697-Y700 VanDerWaalsContact O-N 3.14Å
698	V	76.5	Confident	76.7	Confident	33 Å²	33	30.9 Å²	30.9	20%	0.2	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133	175.7	173.3	0	0	0	0	110	L427 N601 Q604	L427-V698 HydrophobicContact CD1-CB 4.42Å; L427-V698 HydrophobicContact CD1-CG1 3.64Å; L427-V698 HydrophobicContact CD1-CG2 4.03Å; N601-V698 WeakPolarHBondContact OD1-CG2 2.98Å; N601-V698 PolarHBondContact OD1-N 3.03Å; Q604-V698 VanDerWaalsContact NE2-CG1 3.32Å
699	G	74.4	Confident	77.5	Confident	7 Å²	7	30.7 Å²	30.7	7%	0.072	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-7.9	-177.3	0	0	0	0	0	115.2	P697 A719	P697-G699 PolarHBondContact O-N 3.46Å; G699-A719 PolarHBondContact O-N 3.33Å
700	Y	81.3	Confident	78.4	Confident	22 Å²	22	31.7 Å²	31.7	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.3	-178.5	-67.2	-107.2	0	0	0	111.4	T435 P583 G585 I600 P697 C716 V717 Q718	T435-Y700 PolarHBondContact O-OH 3.2Å; P583-Y700 WeakPolarHBondContact O-CE1 3.46Å; G585-Y700 VanDerWaalsContact CA-CD1 3.47Å; I600-Y700 HydrophobicContact CD1-CD2 4.31Å; I600-Y700 HydrophobicContact CD1-CE2 3.69Å; P697-Y700 HydrophobicContact CB-CD2 4.14Å; P697-Y700 HydrophobicContact CG-CD2 4.46Å; P697-Y700 PolarHBondContact O-N 2.74Å; P697-Y700 VanDerWaalsContact O-N 3.14Å; Y700-C716 HydrophobicContact CD1-CB 4.36Å; Y700-V717 CarbonylContact C-O 3.59Å; Y700-V717 WeakPolarHBondContact CA-O 3.41Å; Y700-V717 WeakPolarHBondContact CB-O 3.27Å; Y700-Q718 HydrophobicContact CD1-CB 4.49Å; Y700-Q718 VanDerWaalsContact CD1-N 3.32Å; Y700-Q718 HydrophobicContact CE1-CB 4.37Å
701	T	78.7	Confident	79.4	Confident	18 Å²	18	28.4 Å²	28.4	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.3	172.8	49.3	0	0	0	0	110.4	H703 C716 V717 A719	T701-H703 PolarHBondContact O-CD2 2.05Å; T701-H703 PolarHBondContact OG1-NE2 2.89Å; T701-C716 WeakPolarHBondContact O-CA 2.93Å; T701-V717 PolarHBondContact N-O 3.18Å; T701-V717 PolarHBondContact O-N 2.74Å; T701-V717 VanDerWaalsContact O-N 3.1Å; T701-V717 PolarHBondContact OG1-O 3.44Å; T701-A719 HydrophobicContact CG2-CB 3.83Å
702	A	83.4	Confident	80	Confident	14 Å²	14	26.2 Å²	26.2	12%	0.116	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.4	177.7	0	0	0	0	0	110.7	Y588 C696	Y588-A702 HydrophobicContact CE1-CB 4.15Å; Y588-A702 WeakPolarHBondContact OH-CB 3.23Å; C696-A702 WeakPolarHBondContact SG-CA 3.27Å; C696-A702 VanDerWaalsContact SG-CB 3.56Å
703	H	83.2	Confident	80.4	Confident	33 Å²	33	24.6 Å²	24.6	15%	0.153	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.4	173.2	-62	-89	0	0	0	108.8	T701 A705 N714 Y715 V717	T701-H703 PolarHBondContact O-CD2 2.05Å; T701-H703 PolarHBondContact OG1-NE2 2.89Å; H703-A705 PolarHBondContact O-N 3.46Å; H703-N714 CarbonylContact O-C 3.57Å; H703-N714 VanDerWaalsContact O-CA 3.26Å; H703-N714 WeakPolarHBondContact O-CA 3.13Å; H703-Y715 HydrophobicContact CB-CD1 4.03Å; H703-Y715 HydrophobicContact CB-CD2 4.44Å; H703-Y715 HydrophobicContact CB-CE1 3.47Å; H703-Y715 VanDerWaalsContact CB-CE1 3.47Å; H703-Y715 HydrophobicContact CB-CE2 3.94Å; H703-Y715 HydrophobicContact CB-CG 4.48Å; H703-Y715 VanDerWaalsContact CB-CZ 3.41Å; H703-Y715 PolarHBondContact N-O 2.96Å; H703-Y715 VanDerWaalsContact O-CD1 3.23Å; H703-Y715 WeakPolarHBondContact O-CD1 3.21Å; H703-Y715 PolarHBondContact O-N 3.32Å; H703-V717 WeakPolarHBondContact CD2-CG2 2.8Å; H703-V717 VanDerWaalsContact NE2-CG2 3.27Å; H703-V717 WeakPolarHBondContact NE2-CG2 3.1Å
704	L	80.1	Confident	80.7	Confident	28 Å²	28	22.3 Å²	22.3	15%	0.147	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.5	174.5	-172.1	80	0	0	0	109.3	E543 Q712 V713 Y715 K731	E543-L704 VanDerWaalsContact OE1-CD2 3.31Å; E543-L704 WeakPolarHBondContact OE1-CD2 3.01Å; L704-Q712 HydrophobicContact CD1-CB 4.42Å; L704-Q712 HydrophobicContact CD1-CG 3.14Å; L704-V713 VanDerWaalsContact CD1-O 3.26Å; L704-V713 WeakPolarHBondContact CD1-O 3.04Å; L704-Y715 WeakPolarHBondContact O-CE1 3.17Å; L704-K731 HydrophobicContact CD2-CD 3.63Å
705	A	81.5	Confident	80.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-57.3	167.7	0	0	0	0	0	111.6	L538 M566 H703 V713 Y715	L538-A705 VanDerWaalsContact CD1-CA 3.46Å; L538-A705 HydrophobicContact CD1-CB 3.74Å; L538-A705 WeakPolarHBondContact CD1-O 3.44Å; L538-A705 HydrophobicContact CD2-CB 3.37Å; L538-A705 HydrophobicContact CG-CB 4.17Å; M566-A705 HydrophobicContact SD-CB 4.08Å; H703-A705 PolarHBondContact O-N 3.46Å; A705-V713 WeakPolarHBondContact CA-O 3.17Å; A705-V713 HydrophobicContact CB-CB 4.01Å; A705-V713 HydrophobicContact CB-CG1 3.81Å; A705-V713 VanDerWaalsContact CB-O 3.3Å; A705-V713 WeakPolarHBondContact CB-O 3.27Å; A705-V713 PolarHBondContact N-O 3.43Å; A705-Y715 HydrophobicContact CB-CD1 3.98Å
706	A	79.5	Confident	81.2	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.008	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	156.7	-177.7	0	0	0	0	0	110.3	T540 M566 E708 V713	T540-A706 HydrophobicContact CG2-CB 3.61Å; M566-A706 HydrophobicContact CB-CB 4.46Å; A706-E708 HydrophobicContact CB-CG 4.17Å; A706-V713 PolarHBondContact N-O 2.99Å; A706-V713 PolarHBondContact O-N 3.28Å
707	M	76.8	Confident	81.3	Confident	13 Å²	13	12.8 Å²	12.8	6%	0.064	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.9	159.3	-164.2	69.4	170.1	0	0	108	R396 A400 I710 Q712 F735	R396-M707 HydrophobicContact CG-CE 3.54Å; A400-M707 HydrophobicContact CB-CE 4.47Å; A400-M707 HydrophobicContact CB-CG 4.5Å; A400-M707 HydrophobicContact CB-SD 4.35Å; M707-I710 VanDerWaalsContact CE-O 3.25Å; M707-I710 WeakPolarHBondContact CE-O 3.29Å; M707-Q712 HydrophobicContact SD-CB 3.97Å; M707-F735 HydrophobicContact CB-CD1 4.27Å; M707-F735 HydrophobicContact CG-CB 4.28Å; M707-F735 HydrophobicContact CG-CD1 3.89Å; M707-F735 HydrophobicContact CG-CG 4.32Å
708	E	78.9	Confident	81.2	Confident	2 Å²	2	14.1 Å²	14.1	1%	0.009	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	100.6	178.5	-76.3	-72.4	169.2	0	0	108.6	L478 R564 R565 M566 A706 I710 C711	L478-E708 HydrophobicContact CD1-CB 4.26Å; L478-E708 HydrophobicContact CD1-CG 4.03Å; L478-E708 HydrophobicContact CD2-CB 3.67Å; L478-E708 HydrophobicContact CD2-CG 4.1Å; R564-E708 VanDerWaalsContact CB-OE2 3.26Å; R564-E708 WeakPolarHBondContact CB-OE2 3.04Å; R564-E708 PolarHBondContact N-OE2 2.71Å; R565-E708 WeakPolarHBondContact CA-OE1 3.38Å; R565-E708 WeakPolarHBondContact CB-OE1 3.06Å; R565-E708 PolarHBondContact N-OE1 2.04Å; M566-E708 PolarHBondContact N-OE1 3.09Å; A706-E708 HydrophobicContact CB-CG 4.17Å; E708-I710 VanDerWaalsContact C-N 3.31Å; E708-I710 PolarHBondContact O-N 2.88Å; E708-C711 PolarHBondContact N-O 3.47Å; E708-C711 PolarHBondContact O-N 2.89Å
709	D	70	Confident	81.2	Confident	20 Å²	20	13 Å²	13	11%	0.107	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-84.7	-167.7	-58.6	-51.6	0	0	0	112.4	Q481 R564 F735	Q481-D709 PolarHBondContact NE2-OD2 2.92Å; R564-D709 IonicContact CZ-OD1 3.44Å; R564-D709 IonicContact CZ-OD2 3.89Å; R564-D709 IonicContact NE-OD1 2.96Å; R564-D709 IonicContact NE-OD2 3.72Å; R564-D709 IonicContact NH1-OD1 3.77Å; R564-D709 PolarHBondContact NH1-OD1 3.29Å; R564-D709 IonicContact NH1-OD2 2.86Å; D709-F735 WeakPolarHBondContact CA-O 3.46Å; D709-F735 CarbonylContact O-C 3.47Å; D709-F735 WeakPolarHBondContact O-CB 3.39Å
710	I	70.8	Confident	81.1	Confident	25 Å²	25	16 Å²	16	13%	0.128	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-8.1	179.8	54.4	170.7	0	0	0	112.6	F215 M707 E708 Q712 V736	F215-I710 HydrophobicContact CD2-CD1 4.36Å; F215-I710 HydrophobicContact CE1-CG2 3.55Å; F215-I710 HydrophobicContact CE2-CD1 4.33Å; F215-I710 HydrophobicContact CE2-CG2 3.83Å; F215-I710 HydrophobicContact CG-CD1 4.5Å; F215-I710 HydrophobicContact CZ-CB 4.49Å; F215-I710 HydrophobicContact CZ-CD1 4.42Å; F215-I710 HydrophobicContact CZ-CG2 3.15Å; F215-I710 WeakPolarHBondContact O-CD1 3.47Å; M707-I710 VanDerWaalsContact CE-O 3.25Å; M707-I710 WeakPolarHBondContact CE-O 3.29Å; E708-I710 VanDerWaalsContact C-N 3.31Å; E708-I710 PolarHBondContact O-N 2.88Å; I710-Q712 PolarHBondContact O-N 3.42Å; I710-V736 HydrophobicContact CG2-CG2 4.09Å
711	C	79.7	Confident	80.9	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.3	-174.5	-154.3	0	0	0	0	110.1	L478 P479 C590 E708 V713	L478-C711 HydrophobicContact CD2-CB 4.18Å; P479-C711 HydrophobicContact CG-CB 4.37Å; C590-C711 HydrophobicContact CB-CB 4.05Å; C590-C711 WeakPolarHBondContact CB-SG 3.37Å; C590-C711 PolarHBondContact N-SG 3.26Å; C590-C711 VanDerWaalsContact N-SG 3.4Å; C590-C711 WeakPolarHBondContact SG-CA 3.42Å; C590-C711 WeakPolarHBondContact SG-CB 3.25Å; C590-C711 CovalentContact SG-SG 2.04Å; C590-C711 PolarHBondContact SG-SG 2.91Å; E708-C711 PolarHBondContact N-O 3.47Å; E708-C711 PolarHBondContact O-N 2.89Å; C711-V713 PolarHBondContact O-N 3.26Å
712	Q	82.8	Confident	80.8	Confident	38 Å²	38	20.6 Å²	20.6	18%	0.178	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	118.2	168.8	-168	-176	-22.5	0	0	108.5	K399 S589 C590 L704 M707 I710 N714	K399-Q712 PolarHBondContact O-OE1 2.95Å; S589-Q712 CarbonylContact C-O 3.5Å; S589-Q712 WeakPolarHBondContact CA-O 3.48Å; C590-Q712 PolarHBondContact N-O 2.75Å; L704-Q712 HydrophobicContact CD1-CB 4.42Å; L704-Q712 HydrophobicContact CD1-CG 3.14Å; M707-Q712 HydrophobicContact SD-CB 3.97Å; I710-Q712 PolarHBondContact O-N 3.42Å; Q712-N714 PolarHBondContact NE2-ND2 2.91Å; Q712-N714 VanDerWaalsContact NE2-ND2 3.19Å; Q712-N714 PolarHBondContact NE2-OD1 2.69Å
713	V	88.4	Confident	79.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.9	170.8	-176.2	0	0	0	0	108.3	L477 L478 L704 A705 A706 C711	L477-V713 HydrophobicContact CD1-CG1 3.85Å; L477-V713 HydrophobicContact CD2-CG1 4.11Å; L477-V713 HydrophobicContact CG-CG1 4.09Å; L478-V713 HydrophobicContact CD2-CG2 3.41Å; L478-V713 VanDerWaalsContact CD2-CG2 3.41Å; L478-V713 HydrophobicContact CG-CG2 4.34Å; L704-V713 VanDerWaalsContact CD1-O 3.26Å; L704-V713 WeakPolarHBondContact CD1-O 3.04Å; A705-V713 WeakPolarHBondContact CA-O 3.17Å; A705-V713 HydrophobicContact CB-CB 4.01Å; A705-V713 HydrophobicContact CB-CG1 3.81Å; A705-V713 VanDerWaalsContact CB-O 3.3Å; A705-V713 WeakPolarHBondContact CB-O 3.27Å; A705-V713 PolarHBondContact N-O 3.43Å; A706-V713 PolarHBondContact N-O 2.99Å; A706-V713 PolarHBondContact O-N 3.28Å; C711-V713 PolarHBondContact O-N 3.26Å
714	N	89.3	Confident	78.6	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.059	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.3	177.1	-60.5	-72.2	0	0	0	110	F587 Y588 H703 Q712	F587-N714 WeakPolarHBondContact CA-O 3.24Å; Y588-N714 HydrophobicContact CD1-CB 4.03Å; Y588-N714 HydrophobicContact CD2-CB 4.23Å; Y588-N714 HydrophobicContact CE1-CB 3.5Å; Y588-N714 HydrophobicContact CE2-CB 3.75Å; Y588-N714 WeakPolarHBondContact CE2-ND2 3.06Å; Y588-N714 HydrophobicContact CG-CB 4.37Å; Y588-N714 PolarHBondContact N-O 2.86Å; Y588-N714 PolarHBondContact O-N 3.17Å; Y588-N714 VanDerWaalsContact O-O 3.08Å; H703-N714 CarbonylContact O-C 3.57Å; H703-N714 VanDerWaalsContact O-CA 3.26Å; H703-N714 WeakPolarHBondContact O-CA 3.13Å; Q712-N714 PolarHBondContact NE2-ND2 2.91Å; Q712-N714 VanDerWaalsContact NE2-ND2 3.19Å; Q712-N714 PolarHBondContact NE2-OD1 2.69Å
715	Y	91.2	Very high	77.4	Confident	1 Å²	1	35 Å²	35	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.3	172.3	70.7	-82.9	0	0	0	110	F535 L538 S546 L582 F587 H703 L704 A705 V717	F535-Y715 AromaticContact CE1-CD2 3.58Å; F535-Y715 HydrophobicContact CE1-CD2 3.58Å; F535-Y715 AromaticContact CE1-CE2 3.96Å; F535-Y715 HydrophobicContact CE1-CE2 3.96Å; F535-Y715 HydrophobicContact CE1-CG 4.31Å; F535-Y715 AromaticContact CZ-CD2 3.88Å; F535-Y715 HydrophobicContact CZ-CD2 3.88Å; F535-Y715 HydrophobicContact CZ-CE2 4.32Å; F535-Y715 HydrophobicContact CZ-CG 4.19Å; L538-Y715 HydrophobicContact CD2-CD1 3.83Å; L538-Y715 HydrophobicContact CD2-CE1 4.26Å; L538-Y715 HydrophobicContact CD2-CG 4.32Å; L538-Y715 HydrophobicContact CG-CD1 4.49Å; L538-Y715 HydrophobicContact CG-CE1 4.45Å; S546-Y715 VanDerWaalsContact CB-OH 3.23Å; S546-Y715 WeakPolarHBondContact CB-OH 3.39Å; S546-Y715 PolarHBondContact OG-OH 3.46Å; L582-Y715 HydrophobicContact CD1-CE2 4.33Å; F587-Y715 VanDerWaalsContact CE1-CB 3.46Å; F587-Y715 HydrophobicContact CE1-CG 4.46Å; H703-Y715 HydrophobicContact CB-CD1 4.03Å; H703-Y715 HydrophobicContact CB-CD2 4.44Å; H703-Y715 HydrophobicContact CB-CE1 3.47Å; H703-Y715 VanDerWaalsContact CB-CE1 3.47Å; H703-Y715 HydrophobicContact CB-CE2 3.94Å; H703-Y715 HydrophobicContact CB-CG 4.48Å; H703-Y715 VanDerWaalsContact CB-CZ 3.41Å; H703-Y715 PolarHBondContact N-O 2.96Å; H703-Y715 VanDerWaalsContact O-CD1 3.23Å; H703-Y715 WeakPolarHBondContact O-CD1 3.21Å; H703-Y715 PolarHBondContact O-N 3.32Å; L704-Y715 WeakPolarHBondContact O-CE1 3.17Å; A705-Y715 HydrophobicContact CB-CD1 3.98Å; Y715-V717 HydrophobicContact CD2-CG1 3.68Å; Y715-V717 HydrophobicContact CE2-CG1 3.52Å
716	C	89.6	Confident	76.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.7	-177.5	-59.6	0	0	0	0	110.1	G585 G586 C696 Y700 T701	G585-C716 PolarHBondContact N-O 3.49Å; G586-C716 PolarHBondContact O-N 2.89Å; C696-C716 WeakPolarHBondContact CA-SG 3.19Å; C696-C716 HydrophobicContact CB-CB 3.75Å; C696-C716 WeakPolarHBondContact CB-SG 3.48Å; C696-C716 VanDerWaalsContact SG-CA 3.51Å; C696-C716 WeakPolarHBondContact SG-CB 3.36Å; C696-C716 CovalentContact SG-SG 2.03Å; C696-C716 PolarHBondContact SG-SG 3.41Å; Y700-C716 HydrophobicContact CD1-CB 4.36Å; T701-C716 WeakPolarHBondContact O-CA 2.93Å
717	V	87.3	Confident	75.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.8	169.1	-56.4	0	0	0	0	109.9	L582 P583 Y700 T701 H703 Y715 A719 L722	L582-V717 HydrophobicContact CB-CG1 4.14Å; L582-V717 HydrophobicContact CD1-CG1 4.22Å; P583-V717 VanDerWaalsContact O-CA 3.32Å; P583-V717 WeakPolarHBondContact O-CA 3.34Å; Y700-V717 CarbonylContact C-O 3.59Å; Y700-V717 WeakPolarHBondContact CA-O 3.41Å; Y700-V717 WeakPolarHBondContact CB-O 3.27Å; T701-V717 PolarHBondContact N-O 3.18Å; T701-V717 PolarHBondContact O-N 2.74Å; T701-V717 VanDerWaalsContact O-N 3.1Å; T701-V717 PolarHBondContact OG1-O 3.44Å; H703-V717 WeakPolarHBondContact CD2-CG2 2.8Å; H703-V717 VanDerWaalsContact NE2-CG2 3.27Å; H703-V717 WeakPolarHBondContact NE2-CG2 3.1Å; Y715-V717 HydrophobicContact CD2-CG1 3.68Å; Y715-V717 HydrophobicContact CE2-CG1 3.52Å; V717-A719 PolarHBondContact O-N 2.86Å; V717-L722 HydrophobicContact CG2-CD1 4Å; V717-L722 HydrophobicContact CG2-CG 4.35Å
718	Q	82.7	Confident	75.7	Confident	30 Å²	30	46.1 Å²	46.1	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	136.2	178.7	-168.8	177.4	-5.2	0	0	111.1	I432 N434 P583 Y700 F721	I432-Q718 HydrophobicContact CG2-CG 4.32Å; N434-Q718 PolarHBondContact OD1-NE2 2.89Å; P583-Q718 HydrophobicContact CB-CB 3.95Å; P583-Q718 HydrophobicContact CG-CB 3.47Å; P583-Q718 VanDerWaalsContact CG-CB 3.47Å; P583-Q718 PolarHBondContact O-N 3.5Å; Y700-Q718 HydrophobicContact CD1-CB 4.49Å; Y700-Q718 VanDerWaalsContact CD1-N 3.32Å; Y700-Q718 HydrophobicContact CE1-CB 4.37Å; Q718-F721 WeakPolarHBondContact O-CB 3.25Å; Q718-F721 PolarHBondContact O-N 2.88Å
719	A	75.5	Confident	75.7	Confident	11 Å²	11	51.7 Å²	51.7	9%	0.091	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	147.3	-179.1	0	0	0	0	0	111.9	F413 G699 T701 V717 F721	F413-A719 HydrophobicContact CD1-CB 3.52Å; F413-A719 HydrophobicContact CE1-CB 4.14Å; G699-A719 PolarHBondContact O-N 3.33Å; T701-A719 HydrophobicContact CG2-CB 3.83Å; V717-A719 PolarHBondContact O-N 2.86Å; A719-F721 PolarHBondContact O-N 2.86Å; A719-F721 VanDerWaalsContact O-N 3.14Å
720	N	72.4	Confident	76.6	Confident	68 Å²	68	52.2 Å²	52.2	36%	0.364	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	11.6	-174.7	-63.9	-29.2	0	0	0	115.8	V412 K723	V412-N720 VanDerWaalsContact O-CG 3.26Å; V412-N720 PolarHBondContact O-ND2 3.29Å; V412-N720 PolarHBondContact O-OD1 3.25Å; N720-K723 WeakPolarHBondContact O-CE 3.3Å; N720-K723 WeakPolarHBondContact O-CG 3.04Å
721	F	77.6	Confident	77.4	Confident	94 Å²	94	53.1 Å²	53.1	41%	0.412	25%	0.245	S	C	.	.	S	Bend	trans	-73.8	-45.2	173.7	-167.3	-87.2	0	0	0	111	S581 L582 P583 Q718 A719 K723	S581-F721 WeakPolarHBondContact O-CZ 3.27Å; L582-F721 HydrophobicContact CD2-CD1 3.69Å; L582-F721 HydrophobicContact CD2-CE1 3.45Å; L582-F721 VanDerWaalsContact CD2-CE1 3.45Å; P583-F721 VanDerWaalsContact CD-CD2 3.45Å; P583-F721 VanDerWaalsContact CD-CE2 3.49Å; P583-F721 HydrophobicContact CG-CB 4.15Å; P583-F721 HydrophobicContact CG-CD1 4.38Å; P583-F721 HydrophobicContact CG-CD2 3.48Å; P583-F721 VanDerWaalsContact CG-CD2 3.48Å; P583-F721 HydrophobicContact CG-CE2 3.92Å; P583-F721 HydrophobicContact CG-CG 3.73Å; Q718-F721 WeakPolarHBondContact O-CB 3.25Å; Q718-F721 PolarHBondContact O-N 2.88Å; A719-F721 PolarHBondContact O-N 2.86Å; A719-F721 VanDerWaalsContact O-N 3.14Å; F721-K723 PolarHBondContact O-N 3.4Å
722	L	76.5	Confident	77.9	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.225	27%	0.27	C	S	.	.			trans	-89.6	75.1	175.8	-62.3	174.6	0	0	0	109.9	L582 V717 E724	L582-L722 HydrophobicContact CD2-CD2 3.9Å; V717-L722 HydrophobicContact CG2-CD1 4Å; V717-L722 HydrophobicContact CG2-CG 4.35Å; L722-E724 VanDerWaalsContact C-N 3.3Å; L722-E724 PolarHBondContact O-N 2.92Å
723	K	61.5	Low	78.3	Confident	154 Å²	154	58 Å²	58	67%	0.67	26%	0.263	S	S	*	.			trans	-77.1	-12.5	-178.7	-63.1	-168.9	175.1	177.4	0	114.7	N720 F721	N720-K723 WeakPolarHBondContact O-CE 3.3Å; N720-K723 WeakPolarHBondContact O-CG 3.04Å; F721-K723 PolarHBondContact O-N 3.4Å
724	E	57.9	Low	78.4	Confident	150 Å²	150	59 Å²	59	70%	0.701	27%	0.27	S	S	*	.	S	Bend	trans	-91.9	121	-167.9	-151.7	171.4	-150.7	0	0	111.8	K549 L722 V726	K549-E724 PolarHBondContact NZ-O 3.11Å; L722-E724 VanDerWaalsContact C-N 3.3Å; L722-E724 PolarHBondContact O-N 2.92Å; E724-V726 PolarHBondContact O-N 2.96Å
725	Q	55	Low	78.2	Confident	75 Å²	75	59.2 Å²	59.2	35%	0.35	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-62.1	118	-176.6	-83.8	-177.2	-30.5	0	0	111.2	S161 N416	S161-Q725 VanDerWaalsContact C-NE2 3.28Å; S161-Q725 VanDerWaalsContact CB-OE1 3.27Å; S161-Q725 PolarHBondContact O-NE2 3.24Å; S161-Q725 PolarHBondContact OG-OE1 3.13Å; N416-Q725 PolarHBondContact ND2-NE2 2.88Å
726	V	57	Low	77.9	Confident	51 Å²	51	59.2 Å²	59.2	31%	0.309	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-94.2	134.8	163.6	-171.8	0	0	0	0	106.3	K549 E724 R728	K549-V726 HydrophobicContact CD-CG2 3.7Å; E724-V726 PolarHBondContact O-N 2.96Å; V726-R728 PolarHBondContact O-N 3.43Å
727	R	67.6	Low	77.5	Confident	174 Å²	174	62.3 Å²	62.3	66%	0.657	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-56.1	118.6	165.6	-173.2	-175.2	-159.6	-176.5	8.5	108.1	E158 Q729	E158-R727 IonicContact OE1-CZ 3.66Å; E158-R727 IonicContact OE1-NE 2.74Å; E158-R727 PolarHBondContact OE1-NE 3.19Å; E158-R727 IonicContact OE1-NH2 2.61Å; E158-R727 PolarHBondContact OE1-NH2 2.03Å; R727-Q729 PolarHBondContact O-N 2.79Å
728	R	77.2	Confident	77.2	Confident	21 Å²	21	62.7 Å²	62.7	8%	0.079	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-53.7	129.4	177	-77.5	-170.9	-37	161.5	14.2	110.1	D148 F149 E154 R157 E417 V726	D148-R728 VanDerWaalsContact CG-NH2 3.3Å; D148-R728 PolarHBondContact O-NH2 2.71Å; D148-R728 IonicContact OD1-NH2 2.83Å; D148-R728 PolarHBondContact OD1-NH2 2.88Å; D148-R728 IonicContact OD2-CZ 3.65Å; D148-R728 IonicContact OD2-NH1 3Å; D148-R728 PolarHBondContact OD2-NH1 2.91Å; D148-R728 IonicContact OD2-NH2 2.71Å; D148-R728 PolarHBondContact OD2-NH2 3.33Å; F149-R728 HydrophobicContact CE1-CB 4.18Å; E154-R728 IonicContact OE1-CZ 3.16Å; E154-R728 IonicContact OE1-NE 3.34Å; E154-R728 PolarHBondContact OE1-NE 3.45Å; E154-R728 IonicContact OE1-NH2 2.75Å; E154-R728 PolarHBondContact OE1-NH2 3.09Å; R157-R728 VanDerWaalsContact NH2-NH2 3.17Å; E417-R728 PolarHBondContact O-NH1 2.85Å; E417-R728 WeakPolarHBondContact OE2-CD 3.44Å; E417-R728 WeakPolarHBondContact OE2-CG 3.5Å; V726-R728 PolarHBondContact O-N 3.43Å
729	Q	80.5	Confident	76.8	Confident	119 Å²	119	61.8 Å²	61.8	56%	0.556	29%	0.285	S	S	*	.			trans	-105.2	119	173.8	-64	-170.2	1.6	0	0	108.7	R727 K731	R727-Q729 PolarHBondContact O-N 2.79Å; Q729-K731 PolarHBondContact O-N 3.44Å
730	L	88.6	Confident	76.4	Confident	31 Å²	31	68.5 Å²	68.5	16%	0.162	31%	0.308	C	S	.	.			trans	-66.4	122.4	170.8	-179.6	85.1	0	0	0	109.4	L70 V71 F149 Y397 R732	L70-L730 HydrophobicContact CB-CD1 4.03Å; L70-L730 HydrophobicContact CD1-CD1 4.01Å; V71-L730 HydrophobicContact CG1-CD1 4.14Å; V71-L730 HydrophobicContact CG1-CD2 3.33Å; V71-L730 HydrophobicContact CG1-CG 4.29Å; F149-L730 HydrophobicContact CB-CD1 3.9Å; F149-L730 HydrophobicContact CD1-CB 4.15Å; F149-L730 HydrophobicContact CD1-CD1 3.99Å; F149-L730 HydrophobicContact CD2-CD1 3.85Å; F149-L730 HydrophobicContact CE1-CD1 4.47Å; F149-L730 HydrophobicContact CE2-CD1 4.36Å; F149-L730 HydrophobicContact CG-CD1 3.64Å; Y397-L730 HydrophobicContact CE2-CD1 4.33Å; Y397-L730 HydrophobicContact CE2-CG 4.44Å; L730-R732 HydrophobicContact CD2-CG 3.83Å; L730-R732 HydrophobicContact CG-CG 4.33Å; L730-R732 PolarHBondContact O-N 2.68Å
731	K	87.7	Confident	75.7	Confident	45 Å²	45	68.1 Å²	68.1	20%	0.196	31%	0.309	C	S	.	.			trans	-80.1	110.3	175.2	-52.9	-174.9	-168.1	123.3	0	108.6	Y397 A400 N401 E543 L704 Q729 F735	Y397-K731 WeakPolarHBondContact CE2-O 3.11Å; A400-K731 HydrophobicContact CB-CB 4.42Å; A400-K731 WeakPolarHBondContact O-CD 2.96Å; A400-K731 PolarHBondContact O-NZ 2.85Å; N401-K731 PolarHBondContact ND2-O 3.42Å; N401-K731 PolarHBondContact OD1-N 3.41Å; E543-K731 WeakPolarHBondContact OE1-CD 3.25Å; E543-K731 WeakPolarHBondContact OE1-CE 3.4Å; L704-K731 HydrophobicContact CD2-CD 3.63Å; Q729-K731 PolarHBondContact O-N 3.44Å; K731-F735 HydrophobicContact CB-CE1 4.02Å; K731-F735 HydrophobicContact CB-CZ 4.47Å; K731-F735 WeakPolarHBondContact O-CZ 3.36Å
732	R	89.8	Confident	74.5	Confident	135 Å²	135	69.2 Å²	69.2	51%	0.509	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-94.8	145.5	-178.3	-66.7	-177	177.7	-177.2	1.2	111	L730	L730-R732 HydrophobicContact CD2-CG 3.83Å; L730-R732 HydrophobicContact CG-CG 4.33Å; L730-R732 PolarHBondContact O-N 2.68Å
733	P	90.9	Very high	72.8	Confident	6 Å²	6	76 Å²	76	4%	0.039	35%	0.349	C	S	.	.	S	Bend	trans	-58.6	156.4	166.1	-12.3	23.4	0	0	0	111.1	D250 V253 R254 Y397 F735	D250-P733 HydrophobicContact CB-CB 3.8Å; D250-P733 VanDerWaalsContact O-CB 3.24Å; D250-P733 WeakPolarHBondContact O-CB 3.49Å; V253-P733 HydrophobicContact CB-CG 4.34Å; V253-P733 HydrophobicContact CG1-CG 4.16Å; R254-P733 HydrophobicContact CB-CB 4.28Å; R254-P733 HydrophobicContact CB-CG 4.41Å; R254-P733 WeakPolarHBondContact CD-O 3.01Å; Y397-P733 HydrophobicContact CD2-CG 4.08Å; Y397-P733 HydrophobicContact CG-CG 4.41Å; P733-F735 HydrophobicContact CB-CD2 4.12Å; P733-F735 HydrophobicContact CB-CE2 3.97Å; P733-F735 HydrophobicContact CG-CD2 4.33Å; P733-F735 HydrophobicContact CG-CE2 3.71Å; P733-F735 HydrophobicContact CG-CZ 4.37Å
734	P	90.4	Very high	71.8	Confident	21 Å²	21	76.6 Å²	76.6	14%	0.136	36%	0.355	C	S	.	.	P	Polyproline II helix	cis	-83.9	142.3	6	32.9	-34	0	0	0	113.9	Y247 D250 L251	Y247-P734 HydrophobicContact CD2-CB 3.73Å; Y247-P734 HydrophobicContact CD2-CG 4.23Å; Y247-P734 HydrophobicContact CE2-CB 3.6Å; Y247-P734 HydrophobicContact CE2-CG 3.57Å; D250-P734 HydrophobicContact CB-CB 3.89Å; L251-P734 HydrophobicContact CD2-CB 4.27Å; L251-P734 HydrophobicContact CD2-CG 4.05Å
735	F	85.1	Confident	70.4	Confident	15 Å²	15	79.3 Å²	79.3	7%	0.066	36%	0.364	C	S	.	.			trans	-98.7	-36.3	173.9	-56.3	-72.4	0	0	0	110.9	D250 R396 Y397 A400 M707 D709 K731 P733	D250-F735 PolarHBondContact OD2-N 2.77Å; R396-F735 HydrophobicContact CG-CB 4.35Å; R396-F735 HydrophobicContact CG-CD2 3.89Å; R396-F735 HydrophobicContact CG-CG 4.29Å; Y397-F735 HydrophobicContact CD2-CE2 4.21Å; Y397-F735 HydrophobicContact CD2-CZ 4.08Å; A400-F735 HydrophobicContact CB-CD1 4.32Å; A400-F735 HydrophobicContact CB-CE1 3.59Å; A400-F735 HydrophobicContact CB-CE2 4.41Å; A400-F735 HydrophobicContact CB-CZ 3.64Å; M707-F735 HydrophobicContact CB-CD1 4.27Å; M707-F735 HydrophobicContact CG-CB 4.28Å; M707-F735 HydrophobicContact CG-CD1 3.89Å; M707-F735 HydrophobicContact CG-CG 4.32Å; D709-F735 WeakPolarHBondContact CA-O 3.46Å; D709-F735 CarbonylContact O-C 3.47Å; D709-F735 WeakPolarHBondContact O-CB 3.39Å; K731-F735 HydrophobicContact CB-CE1 4.02Å; K731-F735 HydrophobicContact CB-CZ 4.47Å; K731-F735 WeakPolarHBondContact O-CZ 3.36Å; P733-F735 HydrophobicContact CB-CD2 4.12Å; P733-F735 HydrophobicContact CB-CE2 3.97Å; P733-F735 HydrophobicContact CG-CD2 4.33Å; P733-F735 HydrophobicContact CG-CE2 3.71Å; P733-F735 HydrophobicContact CG-CZ 4.37Å
736	V	85.6	Confident	69.5	Low	0 Å²	0	81 Å²	81	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-77.6	144.3	173.5	179.8	0	0	0	0	109.5	F215 M243 F246 Y247 D250 I710	F215-V736 HydrophobicContact CE2-CG2 4.29Å; F215-V736 HydrophobicContact CZ-CG2 3.62Å; M243-V736 HydrophobicContact CE-CG1 3.54Å; M243-V736 HydrophobicContact SD-CG1 4.24Å; F246-V736 HydrophobicContact CB-CG1 4.21Å; F246-V736 HydrophobicContact CB-CG2 4.23Å; Y247-V736 VanDerWaalsContact CD2-O 3.29Å; Y247-V736 WeakPolarHBondContact CD2-O 3.38Å; D250-V736 PolarHBondContact OD2-N 3.21Å; D250-V736 VanDerWaalsContact OD2-N 3.09Å; I710-V736 HydrophobicContact CG2-CG2 4.09Å
737	L	81.1	Confident	68.1	Low	65 Å²	65	83.6 Å²	83.6	34%	0.34	39%	0.393	S	S	.	.			trans	-116.7	137.5	167.5	-63.5	171.1	0	0	0	110	M243 R564	M243-L737 WeakPolarHBondContact CE-O 3.33Å; R564-L737 PolarHBondContact NH1-O 3.37Å
738	P	80.1	Confident	66.2	Low	8 Å²	8	80.7 Å²	80.7	5%	0.052	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-64	158.8	175.5	30.6	-37.1	0	0	0	111.2	N244 Y740	N244-P738 WeakPolarHBondContact OD1-CB 3.37Å; P738-Y740 HydrophobicContact CG-CE1 4.13Å; P738-Y740 HydrophobicContact CG-CE2 3.78Å; P738-Y740 VanDerWaalsContact CG-CZ 3.48Å; P738-Y740 VanDerWaalsContact CG-OH 3.29Å; P738-Y740 WeakPolarHBondContact CG-OH 3.12Å
739	I	75.6	Confident	64	Low	12 Å²	12	88.1 Å²	88.1	6%	0.062	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-95.2	119.1	175	-56.4	174.2	0	0	0	107.7	F236 L239 M243 V482	F236-I739 HydrophobicContact CE2-CG2 3.9Å; F236-I739 HydrophobicContact CZ-CG2 4.05Å; L239-I739 HydrophobicContact CD1-CD1 4.49Å; L239-I739 HydrophobicContact CD2-CD1 3.39Å; L239-I739 HydrophobicContact CG-CD1 3.62Å; M243-I739 HydrophobicContact CB-CG1 4.43Å; M243-I739 HydrophobicContact CG-CD1 3.97Å; M243-I739 HydrophobicContact CG-CG1 4.23Å; V482-I739 HydrophobicContact CB-CD1 4.16Å; V482-I739 HydrophobicContact CG1-CD1 4.31Å; V482-I739 HydrophobicContact CG1-CG2 4.19Å
740	Y	65.5	Low	61.6	Low	151 Å²	151	87.1 Å²	87.1	59%	0.592	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-95.3	135.7	176.7	-59.6	-76.4	0	0	0	110.4	P738	P738-Y740 HydrophobicContact CG-CE1 4.13Å; P738-Y740 HydrophobicContact CG-CE2 3.78Å; P738-Y740 VanDerWaalsContact CG-CZ 3.48Å; P738-Y740 VanDerWaalsContact CG-OH 3.29Å; P738-Y740 WeakPolarHBondContact CG-OH 3.12Å
741	T	57.8	Low	58.9	Low	60 Å²	60	93.3 Å²	93.3	37%	0.368	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-99.1	126.5	165.4	48.9	0	0	0	0	108.8	F236	F236-T741 HydrophobicContact CE1-CG2 3.4Å; F236-T741 HydrophobicContact CZ-CG2 3.35Å
742	N	54.4	Low	56.2	Low	118 Å²	118	96.5 Å²	96.5	63%	0.631	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-85.8	120.7	164.2	-69.3	-10.1	0	0	0	107.5	E744	N742-E744 PolarHBondContact O-N 2.82Å
743	E	40.3	Very low	53.6	Low	184 Å²	184	95.8 Å²	95.8	86%	0.86	50%	0.504	S	S	*	.			trans	-81.3	87.7	163.8	-72.4	-173.9	175.8	0	0	108.2
744	E	39.6	Very low	51.2	Low	168 Å²	168	102.9 Å²	102.9	79%	0.785	54%	0.536	S	S	*	.			trans	-87.6	114.9	164.3	-102.1	-179.4	163.1	0	0	109.1	N742 L746	N742-E744 PolarHBondContact O-N 2.82Å; E744-L746 PolarHBondContact O-N 2.84Å
745	K	29.9	Very low	48.3	Very low	206 Å²	206	106 Å²	106	90%	0.896	57%	0.572	S	S	*	*			trans	-63.8	104.3	157.6	-82.6	-179.4	177.2	175.8	0	106.8
746	L	36	Very low	45.7	Very low	110 Å²	110	116.1 Å²	116.1	58%	0.576	61%	0.61	S	S	*	*			trans	-49.2	129.6	169.6	-101.5	131.3	0	0	0	109.2	E744 S748 F749	E744-L746 PolarHBondContact O-N 2.84Å; L746-S748 PolarHBondContact O-N 3.46Å; L746-F749 HydrophobicContact CD2-CD2 4.27Å; L746-F749 HydrophobicContact CD2-CE2 3.86Å
747	P	27.3	Very low	43.1	Very low	106 Å²	106	120.3 Å²	120.3	69%	0.688	64%	0.639	S	S	*	*			trans	-60.7	136.1	167.4	-6.3	19.8	0	0	0	107.5	F749	P747-F749 PolarHBondContact O-N 2.77Å
748	S	27.7	Very low	40.6	Very low	113 Å²	113	124.9 Å²	124.9	79%	0.79	66%	0.663	S	S	*	*			trans	-52.9	113	171.8	53.5	0	0	0	0	109.2	L746 S750	L746-S748 PolarHBondContact O-N 3.46Å; S748-S750 VanDerWaalsContact C-N 3.31Å; S748-S750 PolarHBondContact O-N 3.41Å
749	F	30.6	Very low	38.2	Very low	178 Å²	178	131.9 Å²	131.9	78%	0.781	70%	0.699	S	S	*	*			trans	-65.5	93.6	169.4	-87.6	-88.7	0	0	0	108.3	L746 P747 N751	L746-F749 HydrophobicContact CD2-CD2 4.27Å; L746-F749 HydrophobicContact CD2-CE2 3.86Å; P747-F749 PolarHBondContact O-N 2.77Å; F749-N751 PolarHBondContact O-N 3.31Å
750	S	30.7	Very low	35.9	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	73%	0.731	S	S	*	*			trans	-72.6	118.7	157.7	61.9	0	0	0	0	107	S748 D752	S748-S750 VanDerWaalsContact C-N 3.31Å; S748-S750 PolarHBondContact O-N 3.41Å; S750-D752 VanDerWaalsContact C-N 3.31Å; S750-D752 PolarHBondContact O-N 3.48Å
751	N	31	Very low	34.2	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	75%	0.745	S	S	*	*			trans	-56.3	93.3	169.2	-66.7	-39.2	0	0	0	109.4	F749	F749-N751 PolarHBondContact O-N 3.31Å
752	D	30.2	Very low	32.7	Very low	111 Å²	111	144.3 Å²	144.3	59%	0.594	77%	0.771	S	S	*	*			trans	-92.1	117.3	166.7	-165	-14.6	0	0	0	108.2	S750 H754	S750-D752 VanDerWaalsContact C-N 3.31Å; S750-D752 PolarHBondContact O-N 3.48Å; D752-H754 PolarHBondContact O-N 3.09Å; D752-H754 VanDerWaalsContact O-N 3.14Å; D752-H754 PolarHBondContact OD1-N 2.87Å
753	P	35.9	Very low	31.4	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	77%	0.77	S	S	*	*	S	Bend	trans	-67.7	-3.8	178.3	-15.5	29.9	0	0	0	114.2
754	H	39.7	Very low	30.8	Very low	155 Å²	155	144.3 Å²	144.3	72%	0.718	77%	0.774	S	S	*	*	S	Bend	trans	-102.1	88.9	177.5	-73	-62.3	0	0	0	111.5	D752 R756	D752-H754 PolarHBondContact O-N 3.09Å; D752-H754 VanDerWaalsContact O-N 3.14Å; D752-H754 PolarHBondContact OD1-N 2.87Å; H754-R756 PolarHBondContact O-N 2.9Å
755	G	30.9	Very low	30.2	Very low	86 Å²	86	141.2 Å²	141.2	89%	0.887	76%	0.763	S	S	*	*			trans	-53.7	88.8	178.4	0	0	0	0	0	114.6
756	R	30.2	Very low	30.3	Very low	227 Å²	227	136.3 Å²	136.3	86%	0.857	75%	0.754	S	S	*	*			trans	-113.2	94.3	167.1	-144.6	173.3	-167.3	175.2	2.3	108.6	H754 I758	H754-R756 PolarHBondContact O-N 2.9Å; R756-I758 PolarHBondContact O-N 2.96Å; R756-I758 VanDerWaalsContact O-N 3.11Å
757	S	30.4	Very low	29.9	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	76%	0.756	S	S	*	*			trans	-55.2	109.2	169.3	174.9	0	0	0	0	109.6	L759	S757-L759 VanDerWaalsContact C-N 3.27Å; S757-L759 PolarHBondContact O-N 3.29Å
758	I	29	Very low	29.9	Very low	162 Å²	162	140.7 Å²	140.7	83%	0.831	77%	0.767	S	S	*	*			trans	-90.6	71	164.1	-53.3	174.9	0	0	0	106.1	R756	R756-I758 PolarHBondContact O-N 2.96Å; R756-I758 VanDerWaalsContact O-N 3.11Å
759	L	30.6	Very low	30	Very low	155 Å²	155	142.1 Å²	142.1	81%	0.812	76%	0.759	S	S	*	*			trans	-122.3	16.9	172.6	-78.1	175.6	0	0	0	112.8	S757	S757-L759 VanDerWaalsContact C-N 3.27Å; S757-L759 PolarHBondContact O-N 3.29Å
760	T	27	Very low	29.8	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	75%	0.754	S	S	*	*	S	Bend	trans	-120.3	80.4	179.2	52	0	0	0	0	109.5
761	E	28.8	Very low	29.7	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	77%	0.767	S	S	*	*			trans	-174.7	8.6	151.6	-109.1	177.1	-155.5	0	0	116.5	S763	E761-S763 VanDerWaalsContact C-N 3.26Å; E761-S763 PolarHBondContact O-N 2.79Å
762	L	27.7	Very low	29.3	Very low	174 Å²	174	140.2 Å²	140.2	91%	0.911	75%	0.745	S	S	*	*			trans	-83.4	77.9	169.5	-69	171.8	0	0	0	110.3	F764	L762-F764 PolarHBondContact O-N 3.04Å
763	S	25.5	Very low	29.1	Very low	88 Å²	88	141.8 Å²	141.8	62%	0.615	75%	0.754	S	S	*	*			trans	-48.2	123.1	162.2	-178.2	0	0	0	0	109.5	E761 D765	E761-S763 VanDerWaalsContact C-N 3.26Å; E761-S763 PolarHBondContact O-N 2.79Å; S763-D765 PolarHBondContact O-N 2.87Å; S763-D765 PolarHBondContact OG-OD2 2.73Å
764	F	28.9	Very low	28.5	Very low	215 Å²	215	140.7 Å²	140.7	94%	0.943	75%	0.749	S	S	*	*			trans	-70.6	60.9	175.1	-111.5	-96.8	0	0	0	110.5	L762	L762-F764 PolarHBondContact O-N 3.04Å
765	D	26.9	Very low	28	Very low	103 Å²	103	140.6 Å²	140.6	55%	0.551	75%	0.754	S	S	*	*			trans	-96.9	98.2	174.5	-82.7	-49.8	0	0	0	110.6	S763 H767	S763-D765 PolarHBondContact O-N 2.87Å; S763-D765 PolarHBondContact OG-OD2 2.73Å; D765-H767 PolarHBondContact O-N 2.04Å
766	S	30.9	Very low	27.8	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	75%	0.754	S	S	*	*	S	Bend	trans	35.8	9	131.6	66.1	0	0	0	0	122.5
767	H	27.5	Very low	28	Very low	133 Å²	133	141.4 Å²	141.4	62%	0.616	75%	0.747	S	S	*	*			trans	-101.1	-2.3	-168.8	-82	-58.2	0	0	0	116.1	D765 F769	D765-H767 PolarHBondContact O-N 2.04Å; H767-F769 VanDerWaalsContact C-N 3.26Å; H767-F769 PolarHBondContact O-N 3.39Å
768	L	28.5	Very low	28.7	Very low	176 Å²	176	139.4 Å²	139.4	92%	0.921	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	7.9	178.2	-126.4	96.3	0	0	0	115
769	F	29.4	Very low	29.1	Very low	142 Å²	142	140.4 Å²	140.4	62%	0.623	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	7.7	176.6	-88.9	-79.9	0	0	0	114.5	D541 H767 L771	D541-F769 HydrophobicContact CB-CE1 3.69Å; D541-F769 HydrophobicContact CB-CZ 4.2Å; H767-F769 VanDerWaalsContact C-N 3.26Å; H767-F769 PolarHBondContact O-N 3.39Å; F769-L771 VanDerWaalsContact C-N 3.27Å; F769-L771 PolarHBondContact O-N 3.26Å; F769-L771 VanDerWaalsContact O-N 3.13Å
770	K	25.3	Very low	29.7	Very low	157 Å²	157	134.2 Å²	134.2	68%	0.683	70%	0.7	S	S	*	*			trans	-84.3	70.7	164.2	-78.4	-172.4	175.7	-178.7	0	110.9	S772	K770-S772 PolarHBondContact O-N 2.86Å; K770-S772 VanDerWaalsContact O-N 3.1Å
771	L	28.7	Very low	30.8	Very low	183 Å²	183	132.8 Å²	132.8	96%	0.958	70%	0.695	S	S	*	*			trans	-77.2	60.8	144.7	-81.8	161.1	0	0	0	107.1	F769	F769-L771 VanDerWaalsContact C-N 3.27Å; F769-L771 PolarHBondContact O-N 3.26Å; F769-L771 VanDerWaalsContact O-N 3.13Å
772	S	24.1	Very low	32.3	Very low	57 Å²	57	123.9 Å²	123.9	40%	0.399	65%	0.653	S	S	.	*			trans	-126.3	119.4	174.7	68	0	0	0	0	107.9	K770	K770-S772 PolarHBondContact O-N 2.86Å; K770-S772 VanDerWaalsContact O-N 3.1Å
773	D	24.4	Very low	34.6	Very low	145 Å²	145	119.5 Å²	119.5	78%	0.775	63%	0.631	S	S	*	*	S	Bend	trans	86.4	112.4	160.5	-48.7	-36.3	0	0	0	117
774	S	25.2	Very low	37.4	Very low	98 Å²	98	118.8 Å²	118.8	69%	0.685	62%	0.618	S	S	*	*	S	Bend	trans	78.5	115.3	151.4	65.8	0	0	0	0	119.7	N776	S774-N776 PolarHBondContact O-N 2.8Å
775	N	28.2	Very low	40.2	Very low	153 Å²	153	108.6 Å²	108.6	82%	0.818	57%	0.573	S	S	*	*			trans	74.2	-2.4	140.2	-61.4	-13.3	0	0	0	122.9	F777	N775-F777 PolarHBondContact O-N 3.34Å
776	N	26.8	Very low	43	Very low	166 Å²	166	107.4 Å²	107.4	89%	0.888	56%	0.564	S	S	*	*			trans	-81.9	69.8	166.4	-74.8	-7.2	0	0	0	110.7	S774	S774-N776 PolarHBondContact O-N 2.8Å
777	F	35.2	Very low	45.5	Very low	164 Å²	164	103.5 Å²	103.5	72%	0.719	54%	0.536	S	S	*	.			trans	-51.7	139.3	156.3	-119.6	-100.6	0	0	0	106.9	N775 E779	N775-F777 PolarHBondContact O-N 3.34Å; F777-E779 VanDerWaalsContact C-N 3.29Å; F777-E779 PolarHBondContact O-N 3.45Å
778	I	43.6	Very low	48.2	Very low	45 Å²	45	103 Å²	103	23%	0.231	53%	0.531	C	S	.	.			trans	-48	106.6	161.2	-62.6	171.2	0	0	0	104.7	Y201 Y247 S780	Y201-I778 WeakPolarHBondContact OH-CG2 3.37Å; Y247-I778 HydrophobicContact CD1-CD1 3.6Å; Y247-I778 HydrophobicContact CE1-CD1 3.54Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 2.88Å
779	E	37.6	Very low	50.9	Low	183 Å²	183	100.3 Å²	100.3	86%	0.855	52%	0.518	S	S	*	.			trans	-58.6	109.7	173.7	-115.6	-178.4	176.5	0	0	103.9	F777 S781	F777-E779 VanDerWaalsContact C-N 3.29Å; F777-E779 PolarHBondContact O-N 3.45Å; E779-S781 PolarHBondContact O-N 3.49Å
780	S	44.2	Very low	53.4	Low	26 Å²	26	95.7 Å²	95.7	18%	0.182	51%	0.511	C	S	.	.			trans	-57.7	91.6	-179.2	157.7	0	0	0	0	106.9	I778 S782 N783	I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 2.88Å; S780-S782 PolarHBondContact O-N 3.14Å; S780-S782 VanDerWaalsContact O-N 3.08Å; S780-S782 PolarHBondContact OG-O 3.14Å; S780-N783 PolarHBondContact O-OD1 3.33Å; S780-N783 VanDerWaalsContact O-OD1 3.13Å; S780-N783 PolarHBondContact OG-OD1 2.95Å
781	S	49.8	Very low	56.2	Low	90 Å²	90	92 Å²	92	63%	0.629	50%	0.499	S	S	*	.	S	Bend	trans	-63.6	-10.6	172.3	65.9	0	0	0	0	111.1	E779	E779-S781 PolarHBondContact O-N 3.49Å
782	S	61.1	Low	58.8	Low	1 Å²	1	86.8 Å²	86.8	1%	0.007	47%	0.471	C	S	.	.			trans	-110.4	72.9	-177.3	55.9	0	0	0	0	111.6	H204 S780 W800	H204-S782 VanDerWaalsContact CE1-CA 3.48Å; H204-S782 WeakPolarHBondContact CE1-CA 3.35Å; H204-S782 WeakPolarHBondContact CE1-CB 3.2Å; H204-S782 WeakPolarHBondContact ND1-CB 3.15Å; S780-S782 PolarHBondContact O-N 3.14Å; S780-S782 VanDerWaalsContact O-N 3.08Å; S780-S782 PolarHBondContact OG-O 3.14Å; S782-W800 WeakPolarHBondContact O-CH2 3.42Å
783	N	75.6	Confident	61.7	Low	82 Å²	82	84.2 Å²	84.2	44%	0.439	45%	0.452	S	S	.	.			trans	-86.2	6.4	175.3	-67.6	-25.8	0	0	0	113.6	S780 R794 K795	S780-N783 PolarHBondContact O-OD1 3.33Å; S780-N783 VanDerWaalsContact O-OD1 3.13Å; S780-N783 PolarHBondContact OG-OD1 2.95Å; N783-R794 WeakPolarHBondContact O-CA 3.32Å; N783-K795 HydrophobicContact CB-CB 4.36Å; N783-K795 PolarHBondContact O-N 2.88Å
784	E	84	Confident	64.6	Low	73 Å²	73	83.5 Å²	83.5	34%	0.341	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.1	-179.4	-61.9	-166.4	145.5	0	0	109.7	H204 I792 I793 R794	H204-E784 PolarHBondContact CE1-O 2.89Å; E784-I792 HydrophobicContact CB-CG2 3.87Å; E784-I792 HydrophobicContact CG-CG2 3.94Å; E784-I793 WeakPolarHBondContact CA-O 3.35Å; E784-R794 HydrophobicContact CG-CG 4.46Å; E784-R794 IonicContact OE1-CZ 3.45Å; E784-R794 IonicContact OE1-NE 2.79Å; E784-R794 PolarHBondContact OE1-NE 3.46Å; E784-R794 IonicContact OE1-NH2 2.91Å; E784-R794 PolarHBondContact OE1-NH2 2.89Å
785	L	87.1	Confident	67.3	Low	1 Å²	1	80.5 Å²	80.5	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	140.4	178.4	171.1	66.6	0	0	0	107.6	L196 A199 A200 E203 L378 I793 W800	L196-L785 HydrophobicContact CB-CD2 4.4Å; L196-L785 HydrophobicContact CD2-CD2 3.85Å; A199-L785 HydrophobicContact CB-CD1 4.2Å; A199-L785 HydrophobicContact CB-CD2 4.31Å; A200-L785 HydrophobicContact CB-CB 4.36Å; A200-L785 HydrophobicContact CB-CD1 4.45Å; E203-L785 HydrophobicContact CB-CD1 4.32Å; E203-L785 WeakPolarHBondContact OE2-CA 3.48Å; L378-L785 HydrophobicContact CD2-CD1 4.38Å; L378-L785 HydrophobicContact CD2-CD2 3.8Å; L378-L785 HydrophobicContact CD2-CG 4.35Å; L785-I793 HydrophobicContact CD2-CD1 4.48Å; L785-I793 PolarHBondContact N-O 3.32Å; L785-I793 WeakPolarHBondContact O-CB 3.23Å; L785-I793 PolarHBondContact O-N 2.71Å; L785-W800 HydrophobicContact CB-CE3 4.29Å; L785-W800 HydrophobicContact CB-CH2 3.76Å; L785-W800 HydrophobicContact CB-CZ3 3.5Å; L785-W800 HydrophobicContact CD2-CZ3 4.4Å
786	H	85.1	Confident	69.7	Low	79 Å²	79	75.5 Å²	75.5	37%	0.366	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.2	178.2	-59	74.8	0	0	0	111.4	E203 N791	E203-H786 VanDerWaalsContact CD-ND1 3.31Å; E203-H786 WeakPolarHBondContact OE1-CB 3.1Å; E203-H786 IonicContact OE1-CG 2.72Å; E203-H786 IonicContact OE1-ND1 2.8Å; E203-H786 PolarHBondContact OE1-ND1 2.89Å; E203-H786 IonicContact OE2-CE1 3.66Å; E203-H786 IonicContact OE2-CG 3.29Å; E203-H786 PolarHBondContact OE2-N 2.99Å; E203-H786 IonicContact OE2-ND1 3.46Å; E203-H786 PolarHBondContact OE2-ND1 2.89Å; H786-N791 CarbonylContact C-O 3.54Å; H786-N791 WeakPolarHBondContact CA-O 3.09Å
787	D	84.8	Confident	72	Confident	20 Å²	20	75.3 Å²	75.3	11%	0.107	39%	0.385	C	S	.	.			trans	-72.3	173.6	170.4	82.3	2.9	0	0	0	111.2	E377 N789 G790 N791 I793	E377-D787 CarbonylContact O-C 3.56Å; E377-D787 WeakPolarHBondContact O-CA 3.19Å; E377-D787 WeakPolarHBondContact O-CB 3.47Å; D787-N789 PolarHBondContact O-N 2.98Å; D787-N789 VanDerWaalsContact O-N 3.08Å; D787-N789 VanDerWaalsContact OD1-C 3.26Å; D787-N789 VanDerWaalsContact OD1-CA 3.23Å; D787-N789 WeakPolarHBondContact OD1-CA 3.43Å; D787-N789 WeakPolarHBondContact OD1-CB 3.43Å; D787-N789 PolarHBondContact OD1-N 2.69Å; D787-G790 PolarHBondContact O-N 3.08Å; D787-G790 PolarHBondContact OD1-N 3.33Å; D787-N791 PolarHBondContact N-O 3.37Å; D787-N791 PolarHBondContact OD1-N 2.86Å; D787-N791 WeakPolarHBondContact OD2-CB 3.2Å; D787-N791 PolarHBondContact OD2-ND2 2.97Å; D787-I793 HydrophobicContact CB-CD1 3.76Å; D787-I793 HydrophobicContact CB-CG1 3.83Å
788	K	84.4	Confident	73.7	Confident	121 Å²	121	69.3 Å²	69.3	53%	0.526	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.3	176.8	66.2	177	172.1	-149.1	0	115.1	P376 E377	P376-K788 VanDerWaalsContact O-CD 3.3Å; P376-K788 WeakPolarHBondContact O-CD 3.45Å; P376-K788 WeakPolarHBondContact O-CE 3.22Å; P376-K788 PolarHBondContact O-NZ 2.87Å; E377-K788 PolarHBondContact O-N 3.08Å
789	N	84.2	Confident	75.3	Confident	120 Å²	120	76.1 Å²	76.1	64%	0.642	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.2	178.6	-57.4	-42	0	0	0	112	D787	D787-N789 PolarHBondContact O-N 2.98Å; D787-N789 VanDerWaalsContact O-N 3.08Å; D787-N789 VanDerWaalsContact OD1-C 3.26Å; D787-N789 VanDerWaalsContact OD1-CA 3.23Å; D787-N789 WeakPolarHBondContact OD1-CA 3.43Å; D787-N789 WeakPolarHBondContact OD1-CB 3.43Å; D787-N789 PolarHBondContact OD1-N 2.69Å
790	G	81.4	Confident	77.3	Confident	46 Å²	46	68.7 Å²	68.7	47%	0.474	36%	0.357	S	S	.	.	S	Bend	trans	84.2	8.7	-175.6	0	0	0	0	0	114.8	D787	D787-G790 PolarHBondContact O-N 3.08Å; D787-G790 PolarHBondContact OD1-N 3.33Å
791	N	85.3	Confident	78.5	Confident	79 Å²	79	70.2 Å²	70.2	42%	0.422	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-77.1	148.8	173.4	-51.3	-58.6	0	0	0	110.7	H786 D787 I793 P803	H786-N791 CarbonylContact C-O 3.54Å; H786-N791 WeakPolarHBondContact CA-O 3.09Å; D787-N791 PolarHBondContact N-O 3.37Å; D787-N791 PolarHBondContact OD1-N 2.86Å; D787-N791 WeakPolarHBondContact OD2-CB 3.2Å; D787-N791 PolarHBondContact OD2-ND2 2.97Å; N791-I793 PolarHBondContact O-N 2.88Å; N791-P803 HydrophobicContact CB-CG 4.24Å
792	I	83.3	Confident	78.9	Confident	74 Å²	74	69.8 Å²	69.8	38%	0.379	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	179.1	-57.6	172	0	0	0	109.8	E784 R794	E784-I792 HydrophobicContact CB-CG2 3.87Å; E784-I792 HydrophobicContact CG-CG2 3.94Å; I792-R794 HydrophobicContact CG2-CG 3.94Å
793	I	84	Confident	78.4	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132	164.5	-46.7	175.9	0	0	0	107.2	E377 E784 L785 D787 N791 W800 E801	E377-I793 HydrophobicContact CB-CD1 3.8Å; E377-I793 HydrophobicContact CG-CD1 3.98Å; E784-I793 WeakPolarHBondContact CA-O 3.35Å; L785-I793 HydrophobicContact CD2-CD1 4.48Å; L785-I793 PolarHBondContact N-O 3.32Å; L785-I793 WeakPolarHBondContact O-CB 3.23Å; L785-I793 PolarHBondContact O-N 2.71Å; D787-I793 HydrophobicContact CB-CD1 3.76Å; D787-I793 HydrophobicContact CB-CG1 3.83Å; N791-I793 PolarHBondContact O-N 2.88Å; I793-W800 HydrophobicContact CB-CE3 4.32Å; I793-W800 HydrophobicContact CG2-CB 4.39Å; I793-W800 HydrophobicContact CG2-CE3 3.86Å; I793-W800 WeakPolarHBondContact O-CZ3 3.28Å; I793-E801 VanDerWaalsContact CG2-O 3.24Å; I793-E801 WeakPolarHBondContact CG2-O 3.13Å
794	R	85.3	Confident	77	Confident	131 Å²	131	73.4 Å²	73.4	49%	0.494	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.3	-178.9	-70.2	-174.5	165.5	171.9	-2.8	111.8	N783 E784 I792 I796 E801	N783-R794 WeakPolarHBondContact O-CA 3.32Å; E784-R794 HydrophobicContact CG-CG 4.46Å; E784-R794 IonicContact OE1-CZ 3.45Å; E784-R794 IonicContact OE1-NE 2.79Å; E784-R794 PolarHBondContact OE1-NE 3.46Å; E784-R794 IonicContact OE1-NH2 2.91Å; E784-R794 PolarHBondContact OE1-NH2 2.89Å; I792-R794 HydrophobicContact CG2-CG 3.94Å; R794-I796 HydrophobicContact CB-CG1 4.39Å; R794-E801 PolarHBondContact O-N 2.82Å; R794-E801 VanDerWaalsContact O-N 3.1Å
795	K	82.5	Confident	75.1	Confident	34 Å²	34	76.3 Å²	76.3	15%	0.148	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.3	171.4	-165.4	175.2	-176.3	172.1	0	109.9	D197 N783 G798 R799 W800	D197-K795 WeakPolarHBondContact OD1-CE 3.34Å; D197-K795 IonicContact OD1-NZ 3.2Å; D197-K795 PolarHBondContact OD1-NZ 2.93Å; D197-K795 IonicContact OD2-NZ 3.17Å; D197-K795 PolarHBondContact OD2-NZ 3.04Å; D197-K795 VanDerWaalsContact OD2-NZ 3.09Å; N783-K795 HydrophobicContact CB-CB 4.36Å; N783-K795 PolarHBondContact O-N 2.88Å; K795-G798 VanDerWaalsContact CE-O 3.29Å; K795-G798 WeakPolarHBondContact CE-O 3.46Å; K795-R799 CarbonylContact C-O 3.27Å; K795-R799 WeakPolarHBondContact CA-O 3.11Å; K795-W800 HydrophobicContact CB-CD2 4.06Å; K795-W800 HydrophobicContact CB-CE3 4.07Å; K795-W800 HydrophobicContact CB-CH2 4.26Å; K795-W800 HydrophobicContact CB-CZ2 4.24Å; K795-W800 HydrophobicContact CB-CZ3 4.17Å; K795-W800 HydrophobicContact CD-CZ2 4.13Å; K795-W800 HydrophobicContact CG-CD2 4.37Å
796	I	78.5	Confident	72.8	Confident	48 Å²	48	80.3 Å²	80.3	25%	0.246	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.9	-178.3	-61.4	174	0	0	0	108.3	R794 G798 R799 F806	R794-I796 HydrophobicContact CB-CG1 4.39Å; I796-G798 PolarHBondContact O-N 2.92Å; I796-R799 PolarHBondContact N-O 3.46Å; I796-R799 PolarHBondContact O-N 3.23Å; I796-R799 VanDerWaalsContact O-O 3.1Å; I796-F806 HydrophobicContact CD1-CD2 4.13Å; I796-F806 HydrophobicContact CD1-CE2 3.17Å; I796-F806 HydrophobicContact CD1-CZ 3.56Å
797	N	74.3	Confident	70.6	Confident	162 Å²	162	81.2 Å²	81.2	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	35.1	-177.6	-60.2	-31.4	0	0	0	113.6	R799	N797-R799 VanDerWaalsContact C-N 3.35Å
798	G	72.4	Confident	68.6	Low	39 Å²	39	85.7 Å²	85.7	40%	0.402	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	4.1	-179.9	0	0	0	0	0	115.7	N193 K795 I796	N193-G798 PolarHBondContact ND2-O 3.23Å; N193-G798 PolarHBondContact OD1-O 3.37Å; K795-G798 VanDerWaalsContact CE-O 3.29Å; K795-G798 WeakPolarHBondContact CE-O 3.46Å; I796-G798 PolarHBondContact O-N 2.92Å
799	R	77.3	Confident	66.4	Low	187 Å²	187	86.1 Å²	86.1	71%	0.706	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.5	178.6	-65.3	-175.5	-177.3	178.5	1.9	111.6	N193 K795 I796 N797	N193-R799 WeakPolarHBondContact OD1-CA 3.3Å; K795-R799 CarbonylContact C-O 3.27Å; K795-R799 WeakPolarHBondContact CA-O 3.11Å; I796-R799 PolarHBondContact N-O 3.46Å; I796-R799 PolarHBondContact O-N 3.23Å; I796-R799 VanDerWaalsContact O-O 3.1Å; N797-R799 VanDerWaalsContact C-N 3.35Å
800	W	78.9	Confident	64.4	Low	28 Å²	28	83.3 Å²	83.3	11%	0.106	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.9	171.9	-65.2	96.4	0	0	0	110.3	N193 L196 D197 A200 S782 L785 I793 K795	N193-W800 PolarHBondContact OD1-N 2.99Å; L196-W800 HydrophobicContact CB-CD2 4.1Å; L196-W800 HydrophobicContact CB-CG 3.79Å; L196-W800 HydrophobicContact CD1-CB 3.56Å; L196-W800 HydrophobicContact CD1-CG 3.7Å; L196-W800 HydrophobicContact CG-CG 4.4Å; D197-W800 PolarHBondContact OD1-NE1 3Å; A200-W800 HydrophobicContact CB-CH2 3.67Å; A200-W800 HydrophobicContact CB-CZ2 3.74Å; S782-W800 WeakPolarHBondContact O-CH2 3.42Å; L785-W800 HydrophobicContact CB-CE3 4.29Å; L785-W800 HydrophobicContact CB-CH2 3.76Å; L785-W800 HydrophobicContact CB-CZ3 3.5Å; L785-W800 HydrophobicContact CD2-CZ3 4.4Å; I793-W800 HydrophobicContact CB-CE3 4.32Å; I793-W800 HydrophobicContact CG2-CB 4.39Å; I793-W800 HydrophobicContact CG2-CE3 3.86Å; I793-W800 WeakPolarHBondContact O-CZ3 3.28Å; K795-W800 HydrophobicContact CB-CD2 4.06Å; K795-W800 HydrophobicContact CB-CE3 4.07Å; K795-W800 HydrophobicContact CB-CH2 4.26Å; K795-W800 HydrophobicContact CB-CZ2 4.24Å; K795-W800 HydrophobicContact CB-CZ3 4.17Å; K795-W800 HydrophobicContact CD-CZ2 4.13Å; K795-W800 HydrophobicContact CG-CD2 4.37Å
801	E	68.5	Low	62.4	Low	57 Å²	57	85.4 Å²	85.4	27%	0.266	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.9	177.6	-69.7	-178.6	-175.4	0	0	110.5	I793 R794 F806	I793-E801 VanDerWaalsContact CG2-O 3.24Å; I793-E801 WeakPolarHBondContact CG2-O 3.13Å; R794-E801 PolarHBondContact O-N 2.82Å; R794-E801 VanDerWaalsContact O-N 3.1Å; E801-F806 WeakPolarHBondContact OE2-CD2 3.37Å; E801-F806 WeakPolarHBondContact OE2-CE2 3.49Å
802	E	58.2	Low	60.6	Low	81 Å²	81	86 Å²	86	38%	0.379	42%	0.424	S	S	.	.			trans	-73.8	146.1	177.3	-76.6	171.2	-158	0	0	111	K192 D804 Q805	K192-E802 IonicContact NZ-OE1 2.96Å; K192-E802 PolarHBondContact NZ-OE1 2.94Å; E802-D804 PolarHBondContact O-N 2.79Å; E802-Q805 PolarHBondContact O-N 2.93Å
803	P	50.6	Low	58.8	Low	37 Å²	37	86.6 Å²	86.6	24%	0.24	43%	0.427	C	S	.	.	H	α-helix	trans	-53.6	-27.4	-177.6	-25.3	32.7	0	0	0	114.5	N791 F806 N807	N791-P803 HydrophobicContact CB-CG 4.24Å; P803-F806 WeakPolarHBondContact O-CB 3.35Å; P803-F806 PolarHBondContact O-N 3.41Å; P803-N807 PolarHBondContact O-N 3.15Å
804	D	47.4	Very low	56.8	Low	122 Å²	122	91.9 Å²	91.9	65%	0.652	45%	0.452	S	S	*	.	H	α-helix	trans	-83.2	-18.8	-173.1	-66.8	-21	0	0	0	114.3	E802	E802-D804 PolarHBondContact O-N 2.79Å
805	Q	44.5	Very low	55	Low	134 Å²	134	90.1 Å²	90.1	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-80.5	-31.7	167.5	-78.9	-170.5	-37.5	0	0	111.6	E802 N807 I808 E809	E802-Q805 PolarHBondContact O-N 2.93Å; Q805-N807 VanDerWaalsContact C-N 3.26Å; Q805-N807 PolarHBondContact O-N 2.73Å; Q805-I808 PolarHBondContact O-N 3.49Å; Q805-E809 PolarHBondContact O-N 3.36Å
806	F	38	Very low	53.5	Low	86 Å²	86	92.6 Å²	92.6	38%	0.377	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-33.5	179.2	-133.7	-110.7	0	0	0	112.1	I796 E801 P803 N810	I796-F806 HydrophobicContact CD1-CD2 4.13Å; I796-F806 HydrophobicContact CD1-CE2 3.17Å; I796-F806 HydrophobicContact CD1-CZ 3.56Å; E801-F806 WeakPolarHBondContact OE2-CD2 3.37Å; E801-F806 WeakPolarHBondContact OE2-CE2 3.49Å; P803-F806 WeakPolarHBondContact O-CB 3.35Å; P803-F806 PolarHBondContact O-N 3.41Å; F806-N810 WeakPolarHBondContact CD1-ND2 3.41Å; F806-N810 WeakPolarHBondContact CE1-ND2 3.34Å; F806-N810 WeakPolarHBondContact CG-ND2 3.2Å; F806-N810 VanDerWaalsContact CZ-ND2 3.3Å; F806-N810 WeakPolarHBondContact CZ-ND2 3.21Å; F806-N810 WeakPolarHBondContact O-CB 3.43Å; F806-N810 PolarHBondContact O-N 3.4Å; F806-N810 PolarHBondContact O-ND2 2.8Å
807	N	39.5	Very low	52.2	Low	98 Å²	98	95.7 Å²	95.7	52%	0.524	48%	0.48	S	S	.	.	H	α-helix	trans	-78.7	-18	-179.4	-79.3	-28.5	0	0	0	114.5	P803 Q805 N811	P803-N807 PolarHBondContact O-N 3.15Å; Q805-N807 VanDerWaalsContact C-N 3.26Å; Q805-N807 PolarHBondContact O-N 2.73Å; N807-N811 WeakPolarHBondContact O-CB 3.33Å; N807-N811 VanDerWaalsContact O-CG 3.26Å; N807-N811 PolarHBondContact O-N 2.97Å; N807-N811 PolarHBondContact O-ND2 3.23Å
808	I	41.9	Very low	51.1	Low	114 Å²	114	93.7 Å²	93.7	59%	0.585	46%	0.464	S	S	*	.	H	α-helix	trans	-92.6	-47.1	178.2	-59.5	176.8	0	0	0	109.9	Q805 I812	Q805-I808 PolarHBondContact O-N 3.49Å; I808-I812 HydrophobicContact CG2-CD1 4.08Å; I808-I812 WeakPolarHBondContact O-CD1 3.48Å; I808-I812 WeakPolarHBondContact O-CG1 3.33Å; I808-I812 PolarHBondContact O-N 3.46Å; I808-I812 VanDerWaalsContact O-N 3.15Å
809	E	39.1	Very low	50.3	Low	130 Å²	130	96.8 Å²	96.8	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-73.9	-36.3	178.7	-82.7	-175.6	160.3	0	0	112.9	Q805 I812 N813	Q805-E809 PolarHBondContact O-N 3.36Å; E809-I812 PolarHBondContact O-N 3.11Å; E809-N813 VanDerWaalsContact O-CB 3.27Å; E809-N813 WeakPolarHBondContact O-CB 3.23Å; E809-N813 PolarHBondContact O-N 2.98Å; E809-N813 PolarHBondContact O-ND2 3.48Å
810	N	40.8	Very low	49.2	Very low	60 Å²	60	94 Å²	94	32%	0.321	47%	0.466	S	S	.	.	H	α-helix	trans	-78.7	-25.4	173.3	-64.8	-62.4	0	0	0	113.2	F806 I812 H814	F806-N810 WeakPolarHBondContact CD1-ND2 3.41Å; F806-N810 WeakPolarHBondContact CE1-ND2 3.34Å; F806-N810 WeakPolarHBondContact CG-ND2 3.2Å; F806-N810 VanDerWaalsContact CZ-ND2 3.3Å; F806-N810 WeakPolarHBondContact CZ-ND2 3.21Å; F806-N810 WeakPolarHBondContact O-CB 3.43Å; F806-N810 PolarHBondContact O-N 3.4Å; F806-N810 PolarHBondContact O-ND2 2.8Å; N810-I812 VanDerWaalsContact C-N 3.29Å; N810-H814 VanDerWaalsContact O-CA 3.25Å; N810-H814 WeakPolarHBondContact O-CA 3.34Å; N810-H814 WeakPolarHBondContact O-CB 3.27Å; N810-H814 PolarHBondContact O-N 3.38Å
811	N	40.8	Very low	48.3	Very low	90 Å²	90	97.5 Å²	97.5	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-69.9	-32	169.9	-83.2	-41.8	0	0	0	111.4	N807 N815	N807-N811 WeakPolarHBondContact O-CB 3.33Å; N807-N811 VanDerWaalsContact O-CG 3.26Å; N807-N811 PolarHBondContact O-N 2.97Å; N807-N811 PolarHBondContact O-ND2 3.23Å; N811-N815 WeakPolarHBondContact O-CB 3.41Å; N811-N815 PolarHBondContact O-N 3.29Å; N811-N815 VanDerWaalsContact O-N 3.1Å; N811-N815 PolarHBondContact O-ND2 3.01Å
812	I	47.6	Very low	48.2	Very low	93 Å²	93	99.6 Å²	99.6	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-73.1	-48.7	174.9	-65.3	165.9	0	0	0	110.5	I808 E809 N810 N816	I808-I812 HydrophobicContact CG2-CD1 4.08Å; I808-I812 WeakPolarHBondContact O-CD1 3.48Å; I808-I812 WeakPolarHBondContact O-CG1 3.33Å; I808-I812 PolarHBondContact O-N 3.46Å; I808-I812 VanDerWaalsContact O-N 3.15Å; E809-I812 PolarHBondContact O-N 3.11Å; N810-I812 VanDerWaalsContact C-N 3.29Å; I812-N816 VanDerWaalsContact O-CB 3.3Å; I812-N816 WeakPolarHBondContact O-CB 3.4Å; I812-N816 PolarHBondContact O-N 3.42Å; I812-N816 PolarHBondContact O-ND2 2.84Å
813	N	45	Very low	48.4	Very low	85 Å²	85	101.4 Å²	101.4	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-72.3	-41.5	179.7	-74.7	-24.9	0	0	0	112.6	E809 N815 N816 Q817	E809-N813 VanDerWaalsContact O-CB 3.27Å; E809-N813 WeakPolarHBondContact O-CB 3.23Å; E809-N813 PolarHBondContact O-N 2.98Å; E809-N813 PolarHBondContact O-ND2 3.48Å; N813-N815 PolarHBondContact O-N 2.94Å; N813-N816 PolarHBondContact O-N 2.85Å; N813-Q817 WeakPolarHBondContact O-CB 3.25Å; N813-Q817 PolarHBondContact O-N 3.44Å
814	H	43.1	Very low	49	Very low	113 Å²	113	105.6 Å²	105.6	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-36.1	176.5	-162	-18.9	0	0	0	110.8	N810 K818	N810-H814 VanDerWaalsContact O-CA 3.25Å; N810-H814 WeakPolarHBondContact O-CA 3.34Å; N810-H814 WeakPolarHBondContact O-CB 3.27Å; N810-H814 PolarHBondContact O-N 3.38Å; H814-K818 WeakPolarHBondContact O-CB 3.27Å; H814-K818 PolarHBondContact O-N 2.8Å
815	N	46.9	Very low	50	Low	95 Å²	95	102.2 Å²	102.2	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-69.3	-41	172.7	-74.3	-27.2	0	0	0	112.2	N811 N813 K818 L819	N811-N815 WeakPolarHBondContact O-CB 3.41Å; N811-N815 PolarHBondContact O-N 3.29Å; N811-N815 VanDerWaalsContact O-N 3.1Å; N811-N815 PolarHBondContact O-ND2 3.01Å; N813-N815 PolarHBondContact O-N 2.94Å; N815-K818 PolarHBondContact O-N 3.49Å; N815-L819 VanDerWaalsContact O-CB 3.27Å; N815-L819 WeakPolarHBondContact O-CB 3.38Å; N815-L819 PolarHBondContact O-N 2.91Å
816	N	51.2	Low	51.3	Low	86 Å²	86	102.6 Å²	102.6	46%	0.46	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-36.9	175.1	-74.3	-23.5	0	0	0	112.4	I812 N813 L819 Q820	I812-N816 VanDerWaalsContact O-CB 3.3Å; I812-N816 WeakPolarHBondContact O-CB 3.4Å; I812-N816 PolarHBondContact O-N 3.42Å; I812-N816 PolarHBondContact O-ND2 2.84Å; N813-N816 PolarHBondContact O-N 2.85Å; N816-L819 PolarHBondContact O-N 2.9Å; N816-Q820 WeakPolarHBondContact O-CB 3.44Å; N816-Q820 WeakPolarHBondContact O-CG 3.12Å; N816-Q820 PolarHBondContact O-N 2.99Å
817	Q	51	Low	52.9	Low	112 Å²	112	103.3 Å²	103.3	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-80.6	-30.6	179.5	-154.4	164.3	13.4	0	0	111.3	N813 N821	N813-Q817 WeakPolarHBondContact O-CB 3.25Å; N813-Q817 PolarHBondContact O-N 3.44Å; Q817-N821 WeakPolarHBondContact O-CB 3.3Å; Q817-N821 PolarHBondContact O-N 3.36Å; Q817-N821 PolarHBondContact O-ND2 2.98Å
818	K	50.8	Low	54.3	Low	120 Å²	120	102 Å²	102	52%	0.522	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-42.9	166.5	-135	173.9	-177.2	177.4	0	110.1	H814 N815 N821 I822	H814-K818 WeakPolarHBondContact O-CB 3.27Å; H814-K818 PolarHBondContact O-N 2.8Å; N815-K818 PolarHBondContact O-N 3.49Å; K818-N821 PolarHBondContact O-N 3.44Å; K818-I822 WeakPolarHBondContact O-CB 3.35Å; K818-I822 WeakPolarHBondContact O-CD1 3.43Å; K818-I822 WeakPolarHBondContact O-CG1 3.17Å; K818-I822 PolarHBondContact O-N 2.88Å
819	L	55.6	Low	55.8	Low	105 Å²	105	99.7 Å²	99.7	55%	0.55	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-40.9	177.8	-164.7	70.4	0	0	0	111.6	N815 N816 I822 H823	N815-L819 VanDerWaalsContact O-CB 3.27Å; N815-L819 WeakPolarHBondContact O-CB 3.38Å; N815-L819 PolarHBondContact O-N 2.91Å; N816-L819 PolarHBondContact O-N 2.9Å; L819-I822 PolarHBondContact O-N 2.94Å; L819-H823 WeakPolarHBondContact O-CB 3.15Å; L819-H823 PolarHBondContact O-N 3.44Å
820	Q	55.1	Low	57.6	Low	127 Å²	127	98.1 Å²	98.1	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-66.5	-40.2	172.7	-81	-179.9	-20.4	0	0	112.6	N816 H823 H824	N816-Q820 WeakPolarHBondContact O-CB 3.44Å; N816-Q820 WeakPolarHBondContact O-CG 3.12Å; N816-Q820 PolarHBondContact O-N 2.99Å; Q820-H823 PolarHBondContact O-N 3.29Å; Q820-H824 WeakPolarHBondContact O-CB 3.38Å; Q820-H824 PolarHBondContact O-N 3.13Å
821	N	60.1	Low	59.2	Low	103 Å²	103	98.8 Å²	98.8	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-68.8	-35	176.2	-72.2	-17	0	0	0	111.8	Q817 K818 A825	Q817-N821 WeakPolarHBondContact O-CB 3.3Å; Q817-N821 PolarHBondContact O-N 3.36Å; Q817-N821 PolarHBondContact O-ND2 2.98Å; K818-N821 PolarHBondContact O-N 3.44Å; N821-A825 WeakPolarHBondContact O-CB 3.4Å; N821-A825 PolarHBondContact O-N 3.47Å
822	I	64.9	Low	60.9	Low	101 Å²	101	98.3 Å²	98.3	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-43.7	171.7	-69.8	163.6	0	0	0	110.1	K818 L819 A825 F826	K818-I822 WeakPolarHBondContact O-CB 3.35Å; K818-I822 WeakPolarHBondContact O-CD1 3.43Å; K818-I822 WeakPolarHBondContact O-CG1 3.17Å; K818-I822 PolarHBondContact O-N 2.88Å; L819-I822 PolarHBondContact O-N 2.94Å; I822-A825 PolarHBondContact O-N 3.27Å; I822-F826 WeakPolarHBondContact O-CB 3.41Å; I822-F826 PolarHBondContact O-N 2.86Å
823	H	63.4	Low	62.4	Low	118 Å²	118	98.1 Å²	98.1	55%	0.546	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-44.1	174	-103.7	-89.2	0	0	0	112.3	L819 Q820 F826 I827	L819-H823 WeakPolarHBondContact O-CB 3.15Å; L819-H823 PolarHBondContact O-N 3.44Å; Q820-H823 PolarHBondContact O-N 3.29Å; H823-F826 PolarHBondContact O-N 2.92Å; H823-I827 WeakPolarHBondContact O-CB 3.38Å; H823-I827 WeakPolarHBondContact O-CD1 3.08Å; H823-I827 WeakPolarHBondContact O-CG1 3.43Å; H823-I827 PolarHBondContact O-N 2.87Å
824	H	63.3	Low	63.9	Low	126 Å²	126	98.6 Å²	98.6	58%	0.583	51%	0.512	S	S	*	.	H	α-helix	trans	-66.8	-39.7	176.4	-105.4	-72.1	0	0	0	112.2	Q820 F826 I827 T828	Q820-H824 WeakPolarHBondContact O-CB 3.38Å; Q820-H824 PolarHBondContact O-N 3.13Å; H824-F826 VanDerWaalsContact C-N 3.33Å; H824-I827 PolarHBondContact O-N 3.4Å; H824-T828 WeakPolarHBondContact O-CB 3.32Å; H824-T828 VanDerWaalsContact O-CG2 3.27Å; H824-T828 WeakPolarHBondContact O-CG2 3.5Å; H824-T828 PolarHBondContact O-N 2.73Å; H824-T828 PolarHBondContact O-OG1 3.43Å
825	A	68.2	Low	65.6	Low	51 Å²	51	96.4 Å²	96.4	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-38.5	173.9	0	0	0	0	0	111.5	N821 I822 T828 T829	N821-A825 WeakPolarHBondContact O-CB 3.4Å; N821-A825 PolarHBondContact O-N 3.47Å; I822-A825 PolarHBondContact O-N 3.27Å; A825-T828 WeakPolarHBondContact CA-OG1 3.48Å; A825-T828 PolarHBondContact O-OG1 2.91Å; A825-T828 VanDerWaalsContact O-OG1 3.08Å; A825-T829 WeakPolarHBondContact O-CB 3.25Å; A825-T829 VanDerWaalsContact O-CG2 3.28Å; A825-T829 WeakPolarHBondContact O-CG2 3.42Å; A825-T829 PolarHBondContact O-N 3.5Å; A825-T829 PolarHBondContact O-OG1 3.5Å
826	F	71	Confident	67.2	Low	142 Å²	142	96.3 Å²	96.3	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-70.6	-40.5	177.4	-146.9	-91.5	0	0	0	112	I822 H823 H824 T829 L830	I822-F826 WeakPolarHBondContact O-CB 3.41Å; I822-F826 PolarHBondContact O-N 2.86Å; H823-F826 PolarHBondContact O-N 2.92Å; H824-F826 VanDerWaalsContact C-N 3.33Å; F826-T829 WeakPolarHBondContact CA-OG1 3.27Å; F826-T829 PolarHBondContact O-OG1 3.46Å; F826-L830 WeakPolarHBondContact O-CB 3.5Å; F826-L830 PolarHBondContact O-N 3.14Å
827	I	71.6	Confident	68.6	Low	101 Å²	101	96.4 Å²	96.4	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-42.5	177	-68.9	165.6	0	0	0	111	H823 H824 L830 S831	H823-I827 WeakPolarHBondContact O-CB 3.38Å; H823-I827 WeakPolarHBondContact O-CD1 3.08Å; H823-I827 WeakPolarHBondContact O-CG1 3.43Å; H823-I827 PolarHBondContact O-N 2.87Å; H824-I827 PolarHBondContact O-N 3.4Å; I827-L830 PolarHBondContact O-N 2.93Å; I827-S831 VanDerWaalsContact O-CB 3.27Å; I827-S831 WeakPolarHBondContact O-CB 3.26Å; I827-S831 PolarHBondContact O-N 3.41Å; I827-S831 PolarHBondContact O-OG 3.35Å
828	T	69.2	Low	70.1	Confident	69 Å²	69	95.2 Å²	95.2	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-46.3	178.1	49	0	0	0	0	111.3	H824 A825 L830 S831 T832	H824-T828 WeakPolarHBondContact O-CB 3.32Å; H824-T828 VanDerWaalsContact O-CG2 3.27Å; H824-T828 WeakPolarHBondContact O-CG2 3.5Å; H824-T828 PolarHBondContact O-N 2.73Å; H824-T828 PolarHBondContact O-OG1 3.43Å; A825-T828 WeakPolarHBondContact CA-OG1 3.48Å; A825-T828 PolarHBondContact O-OG1 2.91Å; A825-T828 VanDerWaalsContact O-OG1 3.08Å; T828-L830 PolarHBondContact O-N 3.21Å; T828-S831 PolarHBondContact O-N 2.82Å; T828-S831 PolarHBondContact O-OG 2.91Å; T828-T832 WeakPolarHBondContact O-CG2 3.38Å; T828-T832 PolarHBondContact O-N 3.2Å; T828-T832 PolarHBondContact O-OG1 3.43Å
829	T	74.2	Confident	71.6	Confident	67 Å²	67	93.7 Å²	93.7	41%	0.411	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-44.8	174.5	49.4	0	0	0	0	111.7	A825 F826 S831 T832 L833	A825-T829 WeakPolarHBondContact O-CB 3.25Å; A825-T829 VanDerWaalsContact O-CG2 3.28Å; A825-T829 WeakPolarHBondContact O-CG2 3.42Å; A825-T829 PolarHBondContact O-N 3.5Å; A825-T829 PolarHBondContact O-OG1 3.5Å; F826-T829 WeakPolarHBondContact CA-OG1 3.27Å; F826-T829 PolarHBondContact O-OG1 3.46Å; T829-S831 PolarHBondContact O-N 2.96Å; T829-T832 PolarHBondContact O-N 2.89Å; T829-T832 PolarHBondContact O-OG1 3.36Å; T829-L833 WeakPolarHBondContact O-CB 3.45Å; T829-L833 VanDerWaalsContact O-CG 3.3Å; T829-L833 WeakPolarHBondContact O-CG 3.43Å; T829-L833 PolarHBondContact O-N 2.9Å
830	L	75.3	Confident	73	Confident	97 Å²	97	93.3 Å²	93.3	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-38.5	176.4	-161.1	71	0	0	0	112.3	F826 I827 T828 T832 L833 L834	F826-L830 WeakPolarHBondContact O-CB 3.5Å; F826-L830 PolarHBondContact O-N 3.14Å; I827-L830 PolarHBondContact O-N 2.93Å; T828-L830 PolarHBondContact O-N 3.21Å; L830-T832 VanDerWaalsContact C-N 3.33Å; L830-T832 PolarHBondContact O-N 3.28Å; L830-L833 PolarHBondContact O-N 2.99Å; L830-L834 VanDerWaalsContact O-CB 3.25Å; L830-L834 WeakPolarHBondContact O-CB 3.39Å; L830-L834 PolarHBondContact O-N 3.47Å
831	S	74.4	Confident	74.4	Confident	74 Å²	74	92 Å²	92	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-29.2	177.4	77	0	0	0	0	113.7	I827 T828 T829 P835	I827-S831 VanDerWaalsContact O-CB 3.27Å; I827-S831 WeakPolarHBondContact O-CB 3.26Å; I827-S831 PolarHBondContact O-N 3.41Å; I827-S831 PolarHBondContact O-OG 3.35Å; T828-S831 PolarHBondContact O-N 2.82Å; T828-S831 PolarHBondContact O-OG 2.91Å; T829-S831 PolarHBondContact O-N 2.96Å; S831-P835 WeakPolarHBondContact O-CD 3.33Å; S831-P835 WeakPolarHBondContact O-CG 3.25Å
832	T	76.5	Confident	75.4	Confident	80 Å²	80	91.3 Å²	91.3	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-83.9	-35.4	176	59.8	0	0	0	0	112.5	T828 T829 L830 I836	T828-T832 WeakPolarHBondContact O-CG2 3.38Å; T828-T832 PolarHBondContact O-N 3.2Å; T828-T832 PolarHBondContact O-OG1 3.43Å; T829-T832 PolarHBondContact O-N 2.89Å; T829-T832 PolarHBondContact O-OG1 3.36Å; L830-T832 VanDerWaalsContact C-N 3.33Å; L830-T832 PolarHBondContact O-N 3.28Å; T832-I836 WeakPolarHBondContact O-CD1 3.27Å; T832-I836 WeakPolarHBondContact O-CG1 3.46Å
833	L	79	Confident	76.4	Confident	88 Å²	88	89.9 Å²	89.9	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-80.2	-33.4	-177.6	-71.4	169.1	0	0	0	112.8	T829 L830 I836 I837	T829-L833 WeakPolarHBondContact O-CB 3.45Å; T829-L833 VanDerWaalsContact O-CG 3.3Å; T829-L833 WeakPolarHBondContact O-CG 3.43Å; T829-L833 PolarHBondContact O-N 2.9Å; L830-L833 PolarHBondContact O-N 2.99Å; L833-I836 PolarHBondContact O-N 3.26Å; L833-I837 HydrophobicContact CB-CD1 4.37Å; L833-I837 WeakPolarHBondContact O-CB 3.35Å; L833-I837 VanDerWaalsContact O-CG1 3.27Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 3.11Å
834	L	77.4	Confident	77.3	Confident	96 Å²	96	88.3 Å²	88.3	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-57.7	-49.5	-179.1	-165.4	73.6	0	0	0	113.8	L830 I836 I837 I838	L830-L834 VanDerWaalsContact O-CB 3.25Å; L830-L834 WeakPolarHBondContact O-CB 3.39Å; L830-L834 PolarHBondContact O-N 3.47Å; L834-I836 VanDerWaalsContact C-N 3.32Å; L834-I836 PolarHBondContact O-N 2.94Å; L834-I837 PolarHBondContact O-N 2.91Å; L834-I838 HydrophobicContact CG-CD1 4.14Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.48Å; L834-I838 PolarHBondContact O-N 3.5Å
835	P	78.1	Confident	78.2	Confident	67 Å²	67	85.4 Å²	85.4	44%	0.435	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-33.1	176.2	23.4	-31.5	0	0	0	112.6	S831 I838 V839	S831-P835 WeakPolarHBondContact O-CD 3.33Å; S831-P835 WeakPolarHBondContact O-CG 3.25Å; P835-I838 PolarHBondContact O-N 3.36Å; P835-V839 VanDerWaalsContact O-CG2 3.26Å; P835-V839 WeakPolarHBondContact O-CG2 3.4Å; P835-V839 PolarHBondContact O-N 3.48Å
836	I	81.5	Confident	78.9	Confident	93 Å²	93	88 Å²	88	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-44.3	176.2	-63.3	171.3	0	0	0	110.6	T832 L833 L834 V839 L840	T832-I836 WeakPolarHBondContact O-CD1 3.27Å; T832-I836 WeakPolarHBondContact O-CG1 3.46Å; L833-I836 PolarHBondContact O-N 3.26Å; L834-I836 VanDerWaalsContact C-N 3.32Å; L834-I836 PolarHBondContact O-N 2.94Å; I836-V839 PolarHBondContact O-N 2.86Å; I836-L840 HydrophobicContact CG2-CD1 4.17Å; I836-L840 WeakPolarHBondContact O-CB 3.13Å; I836-L840 PolarHBondContact O-N 3.48Å
837	I	81.3	Confident	79.3	Confident	88 Å²	88	86.5 Å²	86.5	45%	0.451	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.6	-68.7	165.7	0	0	0	110.4	L833 L834 V839 L840 I841	L833-I837 HydrophobicContact CB-CD1 4.37Å; L833-I837 WeakPolarHBondContact O-CB 3.35Å; L833-I837 VanDerWaalsContact O-CG1 3.27Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 3.11Å; L834-I837 PolarHBondContact O-N 2.91Å; I837-V839 PolarHBondContact O-N 3.49Å; I837-L840 PolarHBondContact O-N 3.3Å; I837-I841 HydrophobicContact CG2-CD1 3.78Å; I837-I841 HydrophobicContact CG2-CG1 4.41Å; I837-I841 VanDerWaalsContact O-CG1 3.27Å; I837-I841 WeakPolarHBondContact O-CG1 3.35Å; I837-I841 PolarHBondContact O-N 3.33Å
838	I	80.6	Confident	79.8	Confident	87 Å²	87	86.2 Å²	86.2	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-45.2	176.4	-69.6	166	0	0	0	110.8	L834 P835 L840 I841 I842	L834-I838 HydrophobicContact CG-CD1 4.14Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.48Å; L834-I838 PolarHBondContact O-N 3.5Å; P835-I838 PolarHBondContact O-N 3.36Å; I838-L840 PolarHBondContact O-N 2.72Å; I838-I841 PolarHBondContact O-N 3.46Å; I838-I842 HydrophobicContact CG2-CD1 3.83Å; I838-I842 VanDerWaalsContact O-CG1 3.27Å; I838-I842 WeakPolarHBondContact O-CG1 3.41Å; I838-I842 PolarHBondContact O-N 3.29Å
839	V	83.3	Confident	80.1	Confident	88 Å²	88	89 Å²	89	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-42.9	176.4	171.3	0	0	0	0	111.1	P835 I836 I837 I841 I842 V843	P835-V839 VanDerWaalsContact O-CG2 3.26Å; P835-V839 WeakPolarHBondContact O-CG2 3.4Å; P835-V839 PolarHBondContact O-N 3.48Å; I836-V839 PolarHBondContact O-N 2.86Å; I837-V839 PolarHBondContact O-N 3.49Å; V839-I841 PolarHBondContact O-N 3.32Å; V839-I842 PolarHBondContact O-N 3.1Å; V839-V843 HydrophobicContact CG1-CG2 4.28Å; V839-V843 WeakPolarHBondContact O-CB 3.2Å; V839-V843 VanDerWaalsContact O-CG2 3.27Å; V839-V843 WeakPolarHBondContact O-CG2 3.36Å; V839-V843 PolarHBondContact O-N 2.86Å
840	L	83.9	Confident	80.2	Confident	96 Å²	96	92.6 Å²	92.6	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-59.7	-44.7	175.1	-99.2	154	0	0	0	112.1	I836 I837 I838 I842 V843 I844	I836-L840 HydrophobicContact CG2-CD1 4.17Å; I836-L840 WeakPolarHBondContact O-CB 3.13Å; I836-L840 PolarHBondContact O-N 3.48Å; I837-L840 PolarHBondContact O-N 3.3Å; I838-L840 PolarHBondContact O-N 2.72Å; L840-I842 VanDerWaalsContact C-N 3.34Å; L840-I842 PolarHBondContact O-N 2.88Å; L840-V843 PolarHBondContact O-N 2.88Å; L840-I844 HydrophobicContact CD2-CD1 4.37Å; L840-I844 WeakPolarHBondContact O-CB 3.27Å; L840-I844 WeakPolarHBondContact O-CD1 3.28Å; L840-I844 WeakPolarHBondContact O-CG1 3.49Å; L840-I844 PolarHBondContact O-N 3.48Å
841	I	84.5	Confident	80.2	Confident	99 Å²	99	93.4 Å²	93.4	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-41.5	176.9	-69	167	0	0	0	110.8	I837 I838 V839 S845	I837-I841 HydrophobicContact CG2-CD1 3.78Å; I837-I841 HydrophobicContact CG2-CG1 4.41Å; I837-I841 VanDerWaalsContact O-CG1 3.27Å; I837-I841 WeakPolarHBondContact O-CG1 3.35Å; I837-I841 PolarHBondContact O-N 3.33Å; I838-I841 PolarHBondContact O-N 3.46Å; V839-I841 PolarHBondContact O-N 3.32Å; I841-S845 VanDerWaalsContact O-CB 3.28Å; I841-S845 WeakPolarHBondContact O-CB 3.37Å; I841-S845 PolarHBondContact O-N 3.07Å; I841-S845 PolarHBondContact O-OG 3.46Å
842	I	82.5	Confident	80.1	Confident	89 Å²	89	93.2 Å²	93.2	46%	0.456	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.1	-68.5	166	0	0	0	110.6	I838 V839 L840 S845 I846	I838-I842 HydrophobicContact CG2-CD1 3.83Å; I838-I842 VanDerWaalsContact O-CG1 3.27Å; I838-I842 WeakPolarHBondContact O-CG1 3.41Å; I838-I842 PolarHBondContact O-N 3.29Å; V839-I842 PolarHBondContact O-N 3.1Å; L840-I842 VanDerWaalsContact C-N 3.34Å; L840-I842 PolarHBondContact O-N 2.88Å; I842-S845 PolarHBondContact O-N 3.47Å; I842-I846 HydrophobicContact CG2-CD1 3.74Å; I842-I846 HydrophobicContact CG2-CG1 4.43Å; I842-I846 VanDerWaalsContact O-CG1 3.27Å; I842-I846 WeakPolarHBondContact O-CG1 3.44Å; I842-I846 PolarHBondContact O-N 2.85Å
843	V	84.7	Confident	79.6	Confident	71 Å²	71	97.8 Å²	97.8	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-45.3	178.9	170.8	0	0	0	0	111	V839 L840 S845 I846 L847	V839-V843 HydrophobicContact CG1-CG2 4.28Å; V839-V843 WeakPolarHBondContact O-CB 3.2Å; V839-V843 VanDerWaalsContact O-CG2 3.27Å; V839-V843 WeakPolarHBondContact O-CG2 3.36Å; V839-V843 PolarHBondContact O-N 2.86Å; L840-V843 PolarHBondContact O-N 2.88Å; V843-S845 VanDerWaalsContact C-N 3.32Å; V843-S845 PolarHBondContact O-N 3.31Å; V843-I846 PolarHBondContact O-N 3.28Å; V843-L847 HydrophobicContact CG1-CD1 3.94Å; V843-L847 HydrophobicContact CG1-CG 4.45Å; V843-L847 WeakPolarHBondContact O-CB 3.33Å; V843-L847 WeakPolarHBondContact O-CG 3.27Å; V843-L847 PolarHBondContact O-N 3.24Å
844	I	83.9	Confident	78.9	Confident	85 Å²	85	99.3 Å²	99.3	44%	0.436	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-42	176.3	-69.3	166.1	0	0	0	110.3	L840 I846 L847 I848	L840-I844 HydrophobicContact CD2-CD1 4.37Å; L840-I844 WeakPolarHBondContact O-CB 3.27Å; L840-I844 WeakPolarHBondContact O-CD1 3.28Å; L840-I844 WeakPolarHBondContact O-CG1 3.49Å; L840-I844 PolarHBondContact O-N 3.48Å; I844-I846 PolarHBondContact O-N 2.9Å; I844-L847 PolarHBondContact O-N 3.49Å; I844-I848 HydrophobicContact CG2-CD1 3.65Å; I844-I848 HydrophobicContact CG2-CG1 4.29Å; I844-I848 WeakPolarHBondContact O-CB 3.45Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.35Å; I844-I848 PolarHBondContact O-N 2.95Å
845	S	81	Confident	78.1	Confident	66 Å²	66	101.2 Å²	101.2	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-40.4	177.7	-60.1	0	0	0	0	112.1	I841 I842 V843 F849	I841-S845 VanDerWaalsContact O-CB 3.28Å; I841-S845 WeakPolarHBondContact O-CB 3.37Å; I841-S845 PolarHBondContact O-N 3.07Å; I841-S845 PolarHBondContact O-OG 3.46Å; I842-S845 PolarHBondContact O-N 3.47Å; V843-S845 VanDerWaalsContact C-N 3.32Å; V843-S845 PolarHBondContact O-N 3.31Å; S845-F849 VanDerWaalsContact O-CB 3.29Å; S845-F849 WeakPolarHBondContact O-CB 3.35Å; S845-F849 PolarHBondContact O-N 2.88Å
846	I	82.4	Confident	77.2	Confident	105 Å²	105	103.9 Å²	103.9	54%	0.538	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-42.7	174.8	-68.3	166.5	0	0	0	110.7	I842 V843 I844 F849 Y850	I842-I846 HydrophobicContact CG2-CD1 3.74Å; I842-I846 HydrophobicContact CG2-CG1 4.43Å; I842-I846 VanDerWaalsContact O-CG1 3.27Å; I842-I846 WeakPolarHBondContact O-CG1 3.44Å; I842-I846 PolarHBondContact O-N 2.85Å; V843-I846 PolarHBondContact O-N 3.28Å; I844-I846 PolarHBondContact O-N 2.9Å; I846-F849 PolarHBondContact O-N 3.25Å; I846-Y850 WeakPolarHBondContact O-CB 3.21Å; I846-Y850 PolarHBondContact O-N 2.81Å
847	L	81.1	Confident	75.4	Confident	110 Å²	110	109.7 Å²	109.7	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-64.3	-43.9	177.6	-76.1	170.1	0	0	0	111.7	V843 I844 Y850 H851	V843-L847 HydrophobicContact CG1-CD1 3.94Å; V843-L847 HydrophobicContact CG1-CG 4.45Å; V843-L847 WeakPolarHBondContact O-CB 3.33Å; V843-L847 WeakPolarHBondContact O-CG 3.27Å; V843-L847 PolarHBondContact O-N 3.24Å; I844-L847 PolarHBondContact O-N 3.49Å; L847-Y850 PolarHBondContact O-N 3.42Å; L847-H851 WeakPolarHBondContact O-CB 3.24Å; L847-H851 PolarHBondContact O-N 3.27Å
848	I	80.4	Confident	74	Confident	95 Å²	95	111.4 Å²	111.4	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-61.9	-45.4	174.4	-68.3	168.4	0	0	0	109.8	I844 Y850 H851 V852	I844-I848 HydrophobicContact CG2-CD1 3.65Å; I844-I848 HydrophobicContact CG2-CG1 4.29Å; I844-I848 WeakPolarHBondContact O-CB 3.45Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.35Å; I844-I848 PolarHBondContact O-N 2.95Å; I848-Y850 VanDerWaalsContact C-N 3.33Å; I848-Y850 PolarHBondContact O-N 3.32Å; I848-H851 PolarHBondContact O-N 2.88Å; I848-V852 HydrophobicContact CG2-CG2 4.25Å; I848-V852 WeakPolarHBondContact O-CB 3.21Å; I848-V852 VanDerWaalsContact O-CG2 3.27Å; I848-V852 WeakPolarHBondContact O-CG2 3.29Å; I848-V852 PolarHBondContact O-N 2.85Å
849	F	76.8	Confident	72.3	Confident	128 Å²	128	113.3 Å²	113.3	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-60.9	-41.8	176.8	-176	-99.5	0	0	0	112	S845 I846 R853	S845-F849 VanDerWaalsContact O-CB 3.29Å; S845-F849 WeakPolarHBondContact O-CB 3.35Å; S845-F849 PolarHBondContact O-N 2.88Å; I846-F849 PolarHBondContact O-N 3.25Å; F849-R853 WeakPolarHBondContact O-CB 3.43Å; F849-R853 PolarHBondContact O-N 3.3Å
850	Y	75.5	Confident	70.5	Confident	143 Å²	143	115 Å²	115	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-65.3	-41.8	176.6	-165.3	-98	0	0	0	111.6	I846 L847 I848 R853 Q854	I846-Y850 WeakPolarHBondContact O-CB 3.21Å; I846-Y850 PolarHBondContact O-N 2.81Å; L847-Y850 PolarHBondContact O-N 3.42Å; I848-Y850 VanDerWaalsContact C-N 3.33Å; I848-Y850 PolarHBondContact O-N 3.32Å; Y850-R853 PolarHBondContact O-N 2.92Å; Y850-Q854 HydrophobicContact CD1-CG 4Å; Y850-Q854 HydrophobicContact CE1-CG 3.85Å; Y850-Q854 VanDerWaalsContact CE1-NE2 3.26Å; Y850-Q854 WeakPolarHBondContact O-CB 3.27Å; Y850-Q854 WeakPolarHBondContact O-CG 3.47Å; Y850-Q854 PolarHBondContact O-N 2.86Å; Y850-Q854 PolarHBondContact OH-NE2 3.47Å
851	H	75.3	Confident	68.6	Low	114 Å²	114	119.1 Å²	119.1	53%	0.528	60%	0.6	S	S	.	*	H	α-helix	trans	-67.3	-41.6	178.4	-158.6	-66.2	0	0	0	112.2	L847 I848 R853 Q854 Q855	L847-H851 WeakPolarHBondContact O-CB 3.24Å; L847-H851 PolarHBondContact O-N 3.27Å; I848-H851 PolarHBondContact O-N 2.88Å; H851-R853 VanDerWaalsContact C-N 3.33Å; H851-Q854 PolarHBondContact O-N 3.22Å; H851-Q855 PolarHBondContact CE1-NE2 3.33Å; H851-Q855 PolarHBondContact O-N 3.42Å
852	V	72.8	Confident	66.5	Low	70 Å²	70	119.8 Å²	119.8	42%	0.424	61%	0.613	S	S	.	*	H	α-helix	trans	-67.8	-33.5	175	173.3	0	0	0	0	111.3	I848 Q855 N856	I848-V852 HydrophobicContact CG2-CG2 4.25Å; I848-V852 WeakPolarHBondContact O-CB 3.21Å; I848-V852 VanDerWaalsContact O-CG2 3.27Å; I848-V852 WeakPolarHBondContact O-CG2 3.29Å; I848-V852 PolarHBondContact O-N 2.85Å; V852-Q855 PolarHBondContact O-N 3.5Å; V852-N856 WeakPolarHBondContact O-CB 3.41Å; V852-N856 PolarHBondContact O-N 3.04Å; V852-N856 PolarHBondContact O-ND2 3.41Å
853	R	65.8	Low	64.8	Low	175 Å²	175	126.2 Å²	126.2	66%	0.66	63%	0.632	S	S	*	*	H	α-helix	trans	-74.8	-32.7	176.4	-161.4	175.3	-171.6	161.6	3	112.7	F849 Y850 H851 N856	F849-R853 WeakPolarHBondContact O-CB 3.43Å; F849-R853 PolarHBondContact O-N 3.3Å; Y850-R853 PolarHBondContact O-N 2.92Å; H851-R853 VanDerWaalsContact C-N 3.33Å; R853-N856 PolarHBondContact O-N 3.45Å
854	Q	64.3	Low	62	Low	120 Å²	120	133.7 Å²	133.7	56%	0.561	67%	0.669	S	S	*	*	H	α-helix	trans	-67	-38.8	171.1	-75.2	-104.8	-6.4	0	0	111.4	Y850 H851 N856	Y850-Q854 HydrophobicContact CD1-CG 4Å; Y850-Q854 HydrophobicContact CE1-CG 3.85Å; Y850-Q854 VanDerWaalsContact CE1-NE2 3.26Å; Y850-Q854 WeakPolarHBondContact O-CB 3.27Å; Y850-Q854 WeakPolarHBondContact O-CG 3.47Å; Y850-Q854 PolarHBondContact O-N 2.86Å; Y850-Q854 PolarHBondContact OH-NE2 3.47Å; H851-Q854 PolarHBondContact O-N 3.22Å; Q854-N856 VanDerWaalsContact C-N 3.29Å; Q854-N856 PolarHBondContact O-N 3.25Å
855	Q	61.1	Low	60.9	Low	137 Å²	137	136.2 Å²	136.2	64%	0.64	68%	0.681	S	S	*	*	H	α-helix	trans	-73.1	-16.1	176.5	-77.6	-179.8	-23.1	0	0	114.3	H851 V852	H851-Q855 PolarHBondContact CE1-NE2 3.33Å; H851-Q855 PolarHBondContact O-N 3.42Å; V852-Q855 PolarHBondContact O-N 3.5Å
856	N	57.8	Low	59.8	Low	123 Å²	123	139.8 Å²	139.8	66%	0.658	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	19.5	-179.5	-77.4	-38.3	0	0	0	114.4	V852 R853 Q854	V852-N856 WeakPolarHBondContact O-CB 3.41Å; V852-N856 PolarHBondContact O-N 3.04Å; V852-N856 PolarHBondContact O-ND2 3.41Å; R853-N856 PolarHBondContact O-N 3.45Å; Q854-N856 VanDerWaalsContact C-N 3.29Å; Q854-N856 PolarHBondContact O-N 3.25Å
857	R	45.5	Very low	58.6	Low	215 Å²	215	141.8 Å²	141.8	81%	0.811	70%	0.701	S	S	*	*	S	Bend	trans	-81.1	121.8	167.4	-112.8	-177.9	-178	178.1	0.8	109.8	T859	R857-T859 PolarHBondContact O-N 3.35Å
858	P	50	Low	57.2	Low	123 Å²	123	143.6 Å²	143.6	80%	0.799	71%	0.709	S	S	*	*			trans	-65	129	-176.3	-9.1	21.3	0	0	0	110.8	S860	P858-S860 PolarHBondContact O-N 3.3Å
859	T	46	Very low	55.8	Low	127 Å²	127	146.7 Å²	146.7	78%	0.779	72%	0.723	S	S	*	*			trans	-58.6	113.6	170	44.3	0	0	0	0	111.1	R857	R857-T859 PolarHBondContact O-N 3.35Å
860	S	45.2	Very low	54.4	Low	125 Å²	125	147.9 Å²	147.9	87%	0.874	73%	0.733	S	S	*	*			trans	-96.3	88.8	150.1	67.1	0	0	0	0	108.1	P858	P858-S860 PolarHBondContact O-N 3.3Å
861	Q	44.1	Very low	52.9	Low	182 Å²	182	148.3 Å²	148.3	85%	0.85	75%	0.746	S	S	*	*			trans	-98.5	118.6	164.6	-111.4	-179.6	-11.3	0	0	107.5
862	S	40.8	Very low	51.1	Low	112 Å²	112	150.9 Å²	150.9	78%	0.783	76%	0.762	S	S	*	*			trans	-172.6	107.6	150.7	157.5	0	0	0	0	109.8
863	R	45.6	Very low	49.3	Very low	224 Å²	224	157.7 Å²	157.7	85%	0.845	79%	0.79	S	S	*	*			trans	72.2	107.8	150.8	-81	179.1	-180	172.1	1.5	117.9
864	N	26	Very low	47.9	Very low	229 Å²	229	156.1 Å²	156.1	100%	1.225	80%	0.802	S	S	*	*			cis	-69.7	0	12.5	-75.1	-20.7	0	0	0	116.7

Retrieved 864 of 864 residues in 167.7 ms (Link to these results)

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