A0A5K4F4H3_SCHMA Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A5K4F4H3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 941 aa.

						>A0A5K4F4H3_SCHMA|A0A5K4F4H3
MNILHYTKLTSFIYVYSMHFIFLFNKIQLNEAKCQFSEYSVLKPNQLWWTHDGQRLPPVSFNLNDYLRKFVVKQGFDLTAASEGWNQMLVSSNTDLLWIQQLCLHPYQRLNMKQNGSSSSPLLIDRRFIQLSPLFNGLIGFDEDDWCSRNTVLWDSDEESDKANDTFVHLIHYSIRCERIIYRKHYKFIVQLDLPNSGPVYQCLYFQLVNKNDPIKIINILQSKHVSLHPDESLCDDRAEFDSILWIPSLSKKLNDLFIPCPFVGGFQITSLTRVSSEKPICEYQTFATLESDCVINEGIEWTFDDPKCNIFEVNSISHHNCYASWKKDGLTYTLLHQDRKDDGYSIFTMVFSDIPEPLNPSDYTYGRSKPLWIYPGLSSKHYQYSTLLLDSHSSHFDTTITKNWNDQRTYESPAYRLQIRRAFGICDDEPTSCTKGCDHDIRNRLFCYKSCPVDDKKCKSSQWDSCTFKQNYQGHWNLIESTSNKNYLSSESHKSKWASLIFGENYLIFMGETNKSYLCIREVREVIQDWFIIRSRKQANGCQPRDICLELFQSGIRRSLDSRNTNAMEFRLSQSKKYGSNVKTLCNFESQSFSLNNKAKKSSNALILVRNIEPFQMLNPYSDPPVKCGLYQMRLIGTMNINVDYLINKWKLTGVVPSVKINHKQFQTLNNDNHSEYIQPINRHYDQWSTKMKYNNLGYRINRYKKSPSYKLVKNTDYMYTHPLIHSKMTKIFVSCHIELSDFNRTHGSTGEFGNKIWIHNDCLYQQIQSSFNTSHVCLSAYNIIPVGLNDKRQLILITYHITTKTYYCWIFKEIKQNNVQRYLVFLFDTPQCQYHRLPSGDIQVNEEEAVAHISLTSATCINCPFKSDENSKEYSNNNNNNKLKRPNILRIQTNQLKQQRQSSQRALRQSIQINLKNNSWKHQLNLCIFLILIYFLFIL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	44.8	Very low	230 Å²	230	134.7 Å²	134.7	100%	1.133	68%	0.681	S	S	*	*				0	4.8	0	-123.9	174.7	173.4	0	0	114.7
2	N	40.5	Very low	45.3	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	68%	0.675	S	S	*	*			trans	-103.1	1.4	-177.1	-77.6	-10.8	0	0	0	115.8
3	I	44.8	Very low	46.1	Very low	148 Å²	148	133.1 Å²	133.1	76%	0.759	67%	0.666	S	S	*	*	S	Bend	trans	-94.9	-22.7	-177.9	-64.5	171.9	0	0	0	112.2
4	L	40.1	Very low	46.8	Very low	142 Å²	142	134.6 Å²	134.6	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-79.9	-15.6	176.7	-104.3	96.2	0	0	0	114.6	T7	L4-T7 PolarHBondContact O-OG1 3.44Å
5	H	42.9	Very low	47.9	Very low	150 Å²	150	131.6 Å²	131.6	69%	0.694	65%	0.654	S	S	*	*	H	α-helix	trans	-83.5	-24.8	180	-118.8	-74	0	0	0	112.9	L9	H5-L9 PolarHBondContact O-N 3.39Å
6	Y	42.4	Very low	48.4	Very low	178 Å²	178	132.6 Å²	132.6	70%	0.698	65%	0.649	S	S	*	*	H	α-helix	trans	-78.8	-30	179.8	-108.7	-88.2	0	0	0	113.4	T10	Y6-T10 PolarHBondContact O-N 3.19Å; Y6-T10 PolarHBondContact O-OG1 2.96Å
7	T	46.6	Very low	48.9	Very low	81 Å²	81	127.8 Å²	127.8	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-76.1	-32.2	178	45.1	0	0	0	0	112.8	L4 T10 S11	L4-T7 PolarHBondContact O-OG1 3.44Å; T7-T10 WeakPolarHBondContact CA-OG1 3.46Å; T7-T10 PolarHBondContact O-OG1 3.29Å; T7-S11 WeakPolarHBondContact O-CB 3.47Å; T7-S11 PolarHBondContact O-N 3.37Å; T7-S11 PolarHBondContact O-OG 3.41Å
8	K	45.2	Very low	49.5	Very low	158 Å²	158	125.7 Å²	125.7	69%	0.687	62%	0.621	S	S	*	*	H	α-helix	trans	-71.7	-35.5	172.6	-84.2	-176.5	175	-180	0	113.1	F12	K8-F12 PolarHBondContact O-N 3.41Å; K8-F12 VanDerWaalsContact O-N 3.09Å
9	L	45.1	Very low	49.8	Very low	105 Å²	105	125.3 Å²	125.3	55%	0.55	62%	0.617	S	S	.	*	H	α-helix	trans	-71.7	-40.6	179.6	-147.1	87.2	0	0	0	112.1	H5 F12 I13	H5-L9 PolarHBondContact O-N 3.39Å; L9-F12 PolarHBondContact O-N 3.41Å; L9-I13 HydrophobicContact CD2-CD1 4.3Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.28Å; L9-I13 VanDerWaalsContact O-CG1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.99Å
10	T	49.4	Very low	50	Low	81 Å²	81	125.5 Å²	125.5	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-66.6	-37.3	175.4	40.1	0	0	0	0	112.2	Y6 T7 Y14	Y6-T10 PolarHBondContact O-N 3.19Å; Y6-T10 PolarHBondContact O-OG1 2.96Å; T7-T10 WeakPolarHBondContact CA-OG1 3.46Å; T7-T10 PolarHBondContact O-OG1 3.29Å; T10-Y14 WeakPolarHBondContact O-CB 3.5Å; T10-Y14 PolarHBondContact O-N 3.43Å
11	S	51.6	Low	50.4	Low	68 Å²	68	123.3 Å²	123.3	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-63.3	-42.6	172.8	-52.9	0	0	0	0	112.3	T7 Y14 V15	T7-S11 WeakPolarHBondContact O-CB 3.47Å; T7-S11 PolarHBondContact O-N 3.37Å; T7-S11 PolarHBondContact O-OG 3.41Å; S11-Y14 PolarHBondContact O-N 3.01Å; S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.4Å; S11-V15 PolarHBondContact O-N 3.43Å
12	F	50.5	Low	50.7	Low	140 Å²	140	118.8 Å²	118.8	61%	0.614	58%	0.579	S	S	*	*	H	α-helix	trans	-68.5	-40	179.6	-123.5	-98.1	0	0	0	112.4	K8 L9 Y14 V15 Y16	K8-F12 PolarHBondContact O-N 3.41Å; K8-F12 VanDerWaalsContact O-N 3.09Å; L9-F12 PolarHBondContact O-N 3.41Å; F12-Y14 VanDerWaalsContact C-N 3.35Å; F12-V15 PolarHBondContact O-N 3.46Å; F12-Y16 AromaticContact CD1-CD2 3.92Å; F12-Y16 HydrophobicContact CD1-CD2 3.92Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CE1-CD2 4.28Å; F12-Y16 AromaticContact CE1-CE2 3.76Å; F12-Y16 HydrophobicContact CE1-CE2 3.76Å; F12-Y16 WeakPolarHBondContact O-CB 3.21Å; F12-Y16 PolarHBondContact O-N 3.01Å
13	I	55.1	Low	51.2	Low	108 Å²	108	116.3 Å²	116.3	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-67.1	-37.1	176.1	-67.4	165.3	0	0	0	110.8	L9 S17	L9-I13 HydrophobicContact CD2-CD1 4.3Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.28Å; L9-I13 VanDerWaalsContact O-CG1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.99Å; I13-S17 WeakPolarHBondContact O-CB 3.44Å; I13-S17 PolarHBondContact O-N 2.99Å
14	Y	56.8	Low	51.4	Low	155 Å²	155	114.9 Å²	114.9	61%	0.608	55%	0.554	S	S	*	*	H	α-helix	trans	-70	-39.4	177.6	-153.8	-91.6	0	0	0	112.4	T10 S11 F12 S17 M18	T10-Y14 WeakPolarHBondContact O-CB 3.5Å; T10-Y14 PolarHBondContact O-N 3.43Å; S11-Y14 PolarHBondContact O-N 3.01Å; F12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-S17 PolarHBondContact O-N 3.04Å; Y14-M18 HydrophobicContact CD1-CG 4.15Å; Y14-M18 HydrophobicContact CE1-CE 3.87Å; Y14-M18 HydrophobicContact CE1-CG 4.06Å; Y14-M18 WeakPolarHBondContact O-CB 3.48Å; Y14-M18 WeakPolarHBondContact O-CG 3.39Å; Y14-M18 PolarHBondContact O-N 3.09Å
15	V	63.2	Low	51.5	Low	89 Å²	89	111.7 Å²	111.7	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-68.1	-41.2	175.2	173.4	0	0	0	0	111.1	S11 F12 M18 H19	S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.4Å; S11-V15 PolarHBondContact O-N 3.43Å; F12-V15 PolarHBondContact O-N 3.46Å; V15-M18 PolarHBondContact O-N 2.92Å; V15-H19 WeakPolarHBondContact O-CB 3.21Å; V15-H19 PolarHBondContact O-N 2.87Å
16	Y	55.1	Low	51.2	Low	147 Å²	147	111.3 Å²	111.3	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-68.1	-38.9	174.8	-97.6	-90	0	0	0	112.8	F12 H19 F20	F12-Y16 AromaticContact CD1-CD2 3.92Å; F12-Y16 HydrophobicContact CD1-CD2 3.92Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CE1-CD2 4.28Å; F12-Y16 AromaticContact CE1-CE2 3.76Å; F12-Y16 HydrophobicContact CE1-CE2 3.76Å; F12-Y16 WeakPolarHBondContact O-CB 3.21Å; F12-Y16 PolarHBondContact O-N 3.01Å; Y16-H19 PolarHBondContact O-N 3.24Å; Y16-F20 WeakPolarHBondContact O-CB 2.99Å; Y16-F20 PolarHBondContact O-N 3.18Å
17	S	56.8	Low	51.2	Low	51 Å²	51	108.5 Å²	108.5	36%	0.357	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-46.9	173.2	169	0	0	0	0	111.3	I13 Y14 H19 F20 I21	I13-S17 WeakPolarHBondContact O-CB 3.44Å; I13-S17 PolarHBondContact O-N 2.99Å; Y14-S17 PolarHBondContact O-N 3.04Å; S17-H19 PolarHBondContact O-N 3.31Å; S17-F20 PolarHBondContact O-N 3.18Å; S17-I21 WeakPolarHBondContact O-CB 3.43Å; S17-I21 WeakPolarHBondContact O-CD1 3.46Å; S17-I21 WeakPolarHBondContact O-CG1 3.49Å; S17-I21 PolarHBondContact O-N 3.05Å
18	M	59.9	Low	50.6	Low	91 Å²	91	110.8 Å²	110.8	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-37.3	175.5	-77.7	-68.8	166.5	0	0	112.1	Y14 V15 I21 F22	Y14-M18 HydrophobicContact CD1-CG 4.15Å; Y14-M18 HydrophobicContact CE1-CE 3.87Å; Y14-M18 HydrophobicContact CE1-CG 4.06Å; Y14-M18 WeakPolarHBondContact O-CB 3.48Å; Y14-M18 WeakPolarHBondContact O-CG 3.39Å; Y14-M18 PolarHBondContact O-N 3.09Å; V15-M18 PolarHBondContact O-N 2.92Å; M18-I21 PolarHBondContact O-N 3.07Å; M18-F22 WeakPolarHBondContact O-CB 3.46Å; M18-F22 PolarHBondContact O-N 3.12Å
19	H	56.7	Low	50.1	Low	117 Å²	117	109.8 Å²	109.8	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-37.4	174.7	-124.6	-52.8	0	0	0	112.3	V15 Y16 S17 F22 L23	V15-H19 WeakPolarHBondContact O-CB 3.21Å; V15-H19 PolarHBondContact O-N 2.87Å; Y16-H19 PolarHBondContact O-N 3.24Å; S17-H19 PolarHBondContact O-N 3.31Å; H19-F22 PolarHBondContact O-N 3.31Å; H19-L23 VanDerWaalsContact O-CB 3.28Å; H19-L23 WeakPolarHBondContact O-CB 3.18Å; H19-L23 WeakPolarHBondContact O-CD1 3.34Å; H19-L23 PolarHBondContact O-N 3.28Å
20	F	52.8	Low	49.7	Very low	130 Å²	130	111.4 Å²	111.4	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-41	174.8	-118.8	-89.9	0	0	0	111.6	Y16 S17 F22 L23 F24	Y16-F20 WeakPolarHBondContact O-CB 2.99Å; Y16-F20 PolarHBondContact O-N 3.18Å; S17-F20 PolarHBondContact O-N 3.18Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F20-L23 PolarHBondContact O-N 3.2Å; F20-F24 HydrophobicContact CD1-CD2 4.09Å; F20-F24 HydrophobicContact CD1-CE2 4.34Å; F20-F24 HydrophobicContact CE1-CE2 4.36Å; F20-F24 VanDerWaalsContact O-CB 3.3Å; F20-F24 WeakPolarHBondContact O-CB 3.15Å; F20-F24 PolarHBondContact O-N 3.49Å
21	I	57.9	Low	49.5	Very low	80 Å²	80	115.7 Å²	115.7	41%	0.41	56%	0.56	S	S	.	*	H	α-helix	trans	-66.6	-36.2	173.7	-68.1	164.4	0	0	0	110.4	S17 M18 N25	S17-I21 WeakPolarHBondContact O-CB 3.43Å; S17-I21 WeakPolarHBondContact O-CD1 3.46Å; S17-I21 WeakPolarHBondContact O-CG1 3.49Å; S17-I21 PolarHBondContact O-N 3.05Å; M18-I21 PolarHBondContact O-N 3.07Å; I21-N25 WeakPolarHBondContact O-CB 3.16Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.24Å; I21-N25 PolarHBondContact O-ND2 2.82Å
22	F	52.2	Low	49.7	Very low	135 Å²	135	115.9 Å²	115.9	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-73.7	-33.8	176	-151.9	-89.7	0	0	0	112.4	M18 H19 F20 K26	M18-F22 WeakPolarHBondContact O-CB 3.46Å; M18-F22 PolarHBondContact O-N 3.12Å; H19-F22 PolarHBondContact O-N 3.31Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F22-K26 WeakPolarHBondContact O-CB 3.22Å; F22-K26 PolarHBondContact O-N 2.93Å
23	L	50.6	Low	50.8	Low	89 Å²	89	117.6 Å²	117.6	47%	0.466	57%	0.573	S	S	.	*	H	α-helix	trans	-71.7	-41.2	171.2	-92.9	146.9	0	0	0	111.6	H19 F20 K26 I27	H19-L23 VanDerWaalsContact O-CB 3.28Å; H19-L23 WeakPolarHBondContact O-CB 3.18Å; H19-L23 WeakPolarHBondContact O-CD1 3.34Å; H19-L23 PolarHBondContact O-N 3.28Å; F20-L23 PolarHBondContact O-N 3.2Å; L23-K26 PolarHBondContact O-N 3.39Å; L23-I27 WeakPolarHBondContact O-CB 3.32Å; L23-I27 WeakPolarHBondContact O-CD1 3.35Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 3.49Å
24	F	48	Very low	52.3	Low	118 Å²	118	113.1 Å²	113.1	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-66.1	-40.3	172.9	-110.4	-92.2	0	0	0	111.4	F20 I27 Q28	F20-F24 HydrophobicContact CD1-CD2 4.09Å; F20-F24 HydrophobicContact CD1-CE2 4.34Å; F20-F24 HydrophobicContact CE1-CE2 4.36Å; F20-F24 VanDerWaalsContact O-CB 3.3Å; F20-F24 WeakPolarHBondContact O-CB 3.15Å; F20-F24 PolarHBondContact O-N 3.49Å; F24-I27 CarbonylContact O-C 3.56Å; F24-I27 PolarHBondContact O-N 3.28Å; F24-Q28 VanDerWaalsContact O-CB 3.31Å; F24-Q28 WeakPolarHBondContact O-CB 3.36Å; F24-Q28 PolarHBondContact O-N 2.81Å
25	N	42.1	Very low	53.8	Low	74 Å²	74	109.3 Å²	109.3	40%	0.396	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-38.1	172.5	-81.4	-24.9	0	0	0	111.2	I21 I27 Q28 L29	I21-N25 WeakPolarHBondContact O-CB 3.16Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.24Å; I21-N25 PolarHBondContact O-ND2 2.82Å; N25-I27 VanDerWaalsContact C-N 3.32Å; N25-I27 PolarHBondContact O-N 2.81Å; N25-Q28 PolarHBondContact O-N 3.38Å; N25-L29 HydrophobicContact CB-CD1 4.18Å; N25-L29 WeakPolarHBondContact O-CB 3.12Å; N25-L29 VanDerWaalsContact O-CD1 3.23Å; N25-L29 WeakPolarHBondContact O-CD1 3.14Å; N25-L29 PolarHBondContact O-N 2.79Å
26	K	38.4	Very low	55	Low	143 Å²	143	105 Å²	105	62%	0.622	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-29	171.9	-98.8	-173	171.6	-178.6	0	113.9	F22 L23	F22-K26 WeakPolarHBondContact O-CB 3.22Å; F22-K26 PolarHBondContact O-N 2.93Å; L23-K26 PolarHBondContact O-N 3.39Å
27	I	40.8	Very low	56.3	Low	119 Å²	119	100.1 Å²	100.1	61%	0.61	50%	0.5	S	S	*	.	H	α-helix	trans	-83.8	-29.4	177.7	-69.4	165.5	0	0	0	111.2	L23 F24 N25	L23-I27 WeakPolarHBondContact O-CB 3.32Å; L23-I27 WeakPolarHBondContact O-CD1 3.35Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 3.49Å; F24-I27 CarbonylContact O-C 3.56Å; F24-I27 PolarHBondContact O-N 3.28Å; N25-I27 VanDerWaalsContact C-N 3.32Å; N25-I27 PolarHBondContact O-N 2.81Å
28	Q	35.5	Very low	57.3	Low	128 Å²	128	100.4 Å²	100.4	60%	0.598	50%	0.496	S	S	*	.	H	α-helix	trans	-84.3	-21.6	171.9	-80.4	-174	-52.2	0	0	113.6	F24 N25	F24-Q28 VanDerWaalsContact O-CB 3.31Å; F24-Q28 WeakPolarHBondContact O-CB 3.36Å; F24-Q28 PolarHBondContact O-N 2.81Å; N25-Q28 PolarHBondContact O-N 3.38Å
29	L	34.6	Very low	58.4	Low	137 Å²	137	96.4 Å²	96.4	72%	0.717	48%	0.476	S	S	*	.	S	Bend	trans	-92.4	1.4	175.6	-86.9	128.2	0	0	0	114.9	N25 E31	N25-L29 HydrophobicContact CB-CD1 4.18Å; N25-L29 WeakPolarHBondContact O-CB 3.12Å; N25-L29 VanDerWaalsContact O-CD1 3.23Å; N25-L29 WeakPolarHBondContact O-CD1 3.14Å; N25-L29 PolarHBondContact O-N 2.79Å; L29-E31 VanDerWaalsContact C-N 3.28Å
30	N	36	Very low	59.6	Low	140 Å²	140	95 Å²	95	75%	0.749	48%	0.479	S	S	*	.			trans	-95.9	64.4	153.8	-88.9	-8.5	0	0	0	107.8	A32	N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 2.79Å
31	E	45.8	Very low	61.2	Low	171 Å²	171	89.8 Å²	89.8	80%	0.799	46%	0.458	S	S	*	.			trans	-52.8	108.2	153.2	-79	-173	153.7	0	0	105.3	L29 K33	L29-E31 VanDerWaalsContact C-N 3.28Å; E31-K33 PolarHBondContact O-N 3.41Å
32	A	55.1	Low	62.6	Low	72 Å²	72	86.1 Å²	86.1	60%	0.595	44%	0.439	S	S	*	.			trans	-52.9	109.1	179.3	0	0	0	0	0	106.4	N30 C34	N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 2.79Å; A32-C34 PolarHBondContact O-N 2.81Å
33	K	74.6	Confident	64.2	Low	175 Å²	175	86.1 Å²	86.1	76%	0.761	44%	0.439	S	S	*	.			trans	-49	128.6	-177.7	-79.3	-176.1	173.4	-176	0	107.7	E31 Q35	E31-K33 PolarHBondContact O-N 3.41Å; K33-Q35 WeakPolarHBondContact O-CG 3.16Å; K33-Q35 PolarHBondContact O-N 3.34Å; K33-Q35 VanDerWaalsContact O-N 3.14Å
34	C	86.3	Confident	65.9	Low	14 Å²	14	85.3 Å²	85.3	10%	0.095	44%	0.439	C	S	.	.			trans	-51.9	122	178.5	-172.2	0	0	0	0	108.9	A32 C177 E178 R179 I180	A32-C34 PolarHBondContact O-N 2.81Å; C34-C177 HydrophobicContact CB-CB 3.72Å; C34-C177 WeakPolarHBondContact CB-O 3.15Å; C34-C177 WeakPolarHBondContact CB-SG 3.19Å; C34-C177 WeakPolarHBondContact O-CB 3.27Å; C34-C177 WeakPolarHBondContact SG-CB 3.09Å; C34-C177 CovalentContact SG-SG 2.03Å; C34-C177 PolarHBondContact SG-SG 3.45Å; C34-E178 WeakPolarHBondContact CB-O 3.27Å; C34-E178 VanDerWaalsContact SG-C 3.54Å; C34-R179 PolarHBondContact SG-N 3.48Å; C34-I180 HydrophobicContact CB-CG1 4.33Å; C34-I180 WeakPolarHBondContact SG-CG1 3.26Å
35	Q	87.6	Confident	67.7	Low	75 Å²	75	85 Å²	85	35%	0.35	44%	0.442	S	S	.	.			trans	-134.2	134.5	179.5	-77	179.5	-20.9	0	0	110.4	K33 S37 E38 N93 T94 C177	K33-Q35 WeakPolarHBondContact O-CG 3.16Å; K33-Q35 PolarHBondContact O-N 3.34Å; K33-Q35 VanDerWaalsContact O-N 3.14Å; Q35-S37 PolarHBondContact O-N 2.84Å; Q35-E38 PolarHBondContact O-N 2.9Å; Q35-N93 PolarHBondContact NE2-O 2.94Å; Q35-T94 CarbonylContact C-O 3.57Å; Q35-T94 WeakPolarHBondContact CA-O 3.23Å; Q35-C177 PolarHBondContact N-SG 2.95Å; Q35-C177 VanDerWaalsContact N-SG 3.41Å
36	F	88	Confident	69.9	Low	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-64.6	-20.7	173.5	-65.2	-69.3	0	0	0	112.8	E38 Y39 L42 T94 D95 L97 I175 C177 F188 V190 F206	F36-E38 PolarHBondContact O-N 2.77Å; F36-E38 VanDerWaalsContact O-N 3.15Å; F36-Y39 WeakPolarHBondContact O-CB 3.49Å; F36-Y39 PolarHBondContact O-N 3.35Å; F36-L42 HydrophobicContact CB-CD1 4.12Å; F36-T94 WeakPolarHBondContact CB-O 3.18Å; F36-T94 WeakPolarHBondContact CD2-O 2.95Å; F36-T94 PolarHBondContact N-O 3.03Å; F36-D95 WeakPolarHBondContact CE2-O 3.33Å; F36-L97 HydrophobicContact CD1-CD1 4.07Å; F36-L97 HydrophobicContact CD1-CG 4.5Å; F36-L97 HydrophobicContact CD2-CD1 4.09Å; F36-L97 HydrophobicContact CD2-CD2 3.96Å; F36-L97 HydrophobicContact CD2-CG 3.64Å; F36-L97 HydrophobicContact CE1-CD1 3.83Å; F36-L97 HydrophobicContact CE1-CG 4.42Å; F36-L97 HydrophobicContact CE2-CD1 3.85Å; F36-L97 HydrophobicContact CE2-CD2 4.38Å; F36-L97 HydrophobicContact CE2-CG 3.55Å; F36-L97 HydrophobicContact CG-CD1 4.2Å; F36-L97 HydrophobicContact CG-CD2 4.21Å; F36-L97 HydrophobicContact CG-CG 4.13Å; F36-L97 HydrophobicContact CZ-CD1 3.71Å; F36-L97 HydrophobicContact CZ-CG 3.96Å; F36-I175 HydrophobicContact CZ-CG2 4.33Å; F36-C177 HydrophobicContact CD2-CB 4.07Å; F36-C177 HydrophobicContact CE1-CB 4.28Å; F36-C177 HydrophobicContact CE2-CB 3.66Å; F36-C177 HydrophobicContact CZ-CB 3.78Å; F36-F188 HydrophobicContact CD1-CD1 4.48Å; F36-F188 HydrophobicContact CE1-CG 4.42Å; F36-V190 HydrophobicContact CE1-CG1 3.93Å; F36-V190 HydrophobicContact CZ-CG1 3.83Å; F36-F206 HydrophobicContact CD1-CE2 4.19Å; F36-F206 HydrophobicContact CD1-CZ 4.07Å; F36-F206 HydrophobicContact CE1-CE2 4.15Å; F36-F206 HydrophobicContact CE1-CZ 4.08Å
37	S	83.1	Confident	72.4	Confident	43 Å²	43	77.7 Å²	77.7	30%	0.301	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-64.4	-13.5	175.6	47.3	0	0	0	0	114.3	Q35 Y39 T94	Q35-S37 PolarHBondContact O-N 2.84Å; S37-Y39 CarbonylContact O-C 3.56Å; S37-Y39 PolarHBondContact O-N 3.3Å; S37-T94 WeakPolarHBondContact CB-OG1 3.47Å; S37-T94 PolarHBondContact OG-OG1 3.18Å
38	E	78.5	Confident	74.8	Confident	58 Å²	58	72 Å²	72	27%	0.271	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-58	-29.1	167.1	-69.5	-158	-179.5	0	0	111.4	Q35 F36 S40 I180 R183 Y186	Q35-E38 PolarHBondContact O-N 2.9Å; F36-E38 PolarHBondContact O-N 2.77Å; F36-E38 VanDerWaalsContact O-N 3.15Å; E38-S40 PolarHBondContact O-N 3.07Å; E38-I180 HydrophobicContact CB-CD1 4.38Å; E38-I180 HydrophobicContact CG-CD1 3.88Å; E38-I180 VanDerWaalsContact OE1-CD1 3.31Å; E38-I180 WeakPolarHBondContact OE1-CD1 3.45Å; E38-I180 WeakPolarHBondContact OE2-CD1 3.47Å; E38-R183 IonicContact OE1-CZ 2.73Å; E38-R183 IonicContact OE1-NE 3.74Å; E38-R183 PolarHBondContact OE1-NE 3.47Å; E38-R183 IonicContact OE1-NH2 3.22Å; E38-R183 PolarHBondContact OE1-NH2 3.11Å; E38-R183 WeakPolarHBondContact OE2-CD 3.41Å; E38-R183 WeakPolarHBondContact OE2-CG 3.39Å; E38-R183 IonicContact OE2-CZ 3.85Å; E38-R183 IonicContact OE2-NE 2.71Å; E38-R183 PolarHBondContact OE2-NE 3.5Å; E38-R183 IonicContact OE2-NH2 2.82Å; E38-Y186 WeakPolarHBondContact O-CE1 3.08Å
39	Y	81.7	Confident	77.3	Confident	7 Å²	7	66 Å²	66	3%	0.027	35%	0.351	C	S	.	.	S	Bend	trans	-85.6	96.6	163.8	-172.3	-118.6	0	0	0	109.9	F36 S37 V41 L42 Y186 F206 L208 I218	F36-Y39 WeakPolarHBondContact O-CB 3.49Å; F36-Y39 PolarHBondContact O-N 3.35Å; S37-Y39 CarbonylContact O-C 3.56Å; S37-Y39 PolarHBondContact O-N 3.3Å; Y39-V41 HydrophobicContact CD1-CB 3.95Å; Y39-V41 HydrophobicContact CD1-CG2 4.34Å; Y39-V41 HydrophobicContact CE1-CB 3.56Å; Y39-V41 HydrophobicContact CE1-CG1 4.36Å; Y39-V41 HydrophobicContact CE1-CG2 3.78Å; Y39-V41 HydrophobicContact CE2-CG2 4.2Å; Y39-V41 PolarHBondContact O-N 3.1Å; Y39-L42 HydrophobicContact CD1-CD1 3.99Å; Y39-L42 HydrophobicContact CD1-CG 3.85Å; Y39-L42 HydrophobicContact CE1-CG 4.48Å; Y39-L42 PolarHBondContact O-N 3.01Å; Y39-Y186 AromaticContact CD2-CD1 3.7Å; Y39-Y186 HydrophobicContact CD2-CD1 3.7Å; Y39-Y186 AromaticContact CD2-CD2 3.41Å; Y39-Y186 HydrophobicContact CD2-CD2 3.41Å; Y39-Y186 VanDerWaalsContact CD2-CD2 3.41Å; Y39-Y186 AromaticContact CD2-CE1 3.94Å; Y39-Y186 HydrophobicContact CD2-CE1 3.94Å; Y39-Y186 AromaticContact CD2-CE2 3.66Å; Y39-Y186 HydrophobicContact CD2-CE2 3.66Å; Y39-Y186 AromaticContact CD2-CG 3.42Å; Y39-Y186 HydrophobicContact CD2-CG 3.42Å; Y39-Y186 VanDerWaalsContact CD2-CG 3.42Å; Y39-Y186 AromaticContact CD2-CZ 3.91Å; Y39-Y186 AromaticContact CE2-CD2 3.68Å; Y39-Y186 HydrophobicContact CE2-CD2 3.68Å; Y39-Y186 AromaticContact CE2-CE2 3.92Å; Y39-Y186 HydrophobicContact CE2-CE2 3.92Å; Y39-Y186 HydrophobicContact CE2-CG 4.11Å; Y39-Y186 HydrophobicContact CG-CD1 4.29Å; Y39-Y186 HydrophobicContact CG-CG 4.24Å; Y39-F206 HydrophobicContact CD1-CB 4.04Å; Y39-F206 HydrophobicContact CD1-CD1 4.36Å; Y39-F206 HydrophobicContact CD1-CG 4.44Å; Y39-F206 HydrophobicContact CD2-CB 4.4Å; Y39-F206 HydrophobicContact CE1-CB 3.97Å; Y39-F206 HydrophobicContact CE1-CD1 4.46Å; Y39-F206 HydrophobicContact CE2-CB 4.3Å; Y39-F206 HydrophobicContact CG-CB 4.24Å; Y39-L208 WeakPolarHBondContact OH-CG 3.26Å; Y39-L208 PolarHBondContact OH-N 3.07Å; Y39-I218 HydrophobicContact CE1-CD1 3.86Å; Y39-I218 HydrophobicContact CE1-CG1 4.1Å; Y39-I218 HydrophobicContact CE1-CG2 4.3Å
40	S	82.8	Confident	79.7	Confident	88 Å²	88	59.7 Å²	59.7	62%	0.615	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.5	-169.7	62.5	0	0	0	0	116.5	E38	E38-S40 PolarHBondContact O-N 3.07Å
41	V	85.8	Confident	81.6	Confident	20 Å²	20	54.2 Å²	54.2	12%	0.121	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-34.4	175.8	-171.8	0	0	0	0	111.2	Y39 K43 Q46 W48 L208 K216 I218	Y39-V41 HydrophobicContact CD1-CB 3.95Å; Y39-V41 HydrophobicContact CD1-CG2 4.34Å; Y39-V41 HydrophobicContact CE1-CB 3.56Å; Y39-V41 HydrophobicContact CE1-CG1 4.36Å; Y39-V41 HydrophobicContact CE1-CG2 3.78Å; Y39-V41 HydrophobicContact CE2-CG2 4.2Å; Y39-V41 PolarHBondContact O-N 3.1Å; V41-K43 PolarHBondContact O-N 2.82Å; V41-Q46 PolarHBondContact O-OE1 3.47Å; V41-Q46 VanDerWaalsContact O-OE1 3.14Å; V41-W48 HydrophobicContact CG1-CH2 3.68Å; V41-W48 HydrophobicContact CG1-CZ2 3.95Å; V41-L208 HydrophobicContact CG1-CD2 4.29Å; V41-L208 HydrophobicContact CG2-CD1 4.05Å; V41-L208 HydrophobicContact CG2-CD2 3.98Å; V41-L208 HydrophobicContact CG2-CG 4.13Å; V41-K216 HydrophobicContact CG1-CB 3.73Å; V41-K216 HydrophobicContact CG1-CG 4.18Å; V41-I218 HydrophobicContact CB-CD1 4.35Å; V41-I218 HydrophobicContact CG1-CD1 3.8Å; V41-I218 HydrophobicContact CG1-CG1 4.03Å
42	L	86.6	Confident	82.3	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	26%	0.257	C	S	.	.	S	Bend	trans	-84.2	101.3	179	-68.4	173.3	0	0	0	109.8	F36 Y39 W48 M88 V90 F206 I218	F36-L42 HydrophobicContact CB-CD1 4.12Å; Y39-L42 HydrophobicContact CD1-CD1 3.99Å; Y39-L42 HydrophobicContact CD1-CG 3.85Å; Y39-L42 HydrophobicContact CE1-CG 4.48Å; Y39-L42 PolarHBondContact O-N 3.01Å; L42-W48 HydrophobicContact CD2-CD2 4.44Å; L42-W48 HydrophobicContact CD2-CZ2 4.08Å; L42-M88 HydrophobicContact CD2-CE 4Å; L42-V90 HydrophobicContact CB-CG2 4.28Å; L42-V90 HydrophobicContact CD2-CG2 3.96Å; L42-F206 HydrophobicContact CD1-CD1 3.9Å; L42-F206 HydrophobicContact CD1-CE1 3.66Å; L42-F206 HydrophobicContact CD1-CZ 4.37Å; L42-I218 HydrophobicContact CD2-CD1 3.72Å; L42-I218 HydrophobicContact CG-CD1 4.21Å
43	K	86.8	Confident	82.1	Confident	135 Å²	135	44.3 Å²	44.3	59%	0.587	23%	0.233	S	C	*	.			trans	-92.7	151.5	178.8	-61.5	-177.5	-179.1	179.7	0	111.5	V41 N45 Q46 V90	V41-K43 PolarHBondContact O-N 2.82Å; K43-N45 PolarHBondContact O-N 2.83Å; K43-Q46 HydrophobicContact CB-CB 4.29Å; K43-Q46 VanDerWaalsContact N-OE1 3.16Å; K43-Q46 WeakPolarHBondContact O-CB 3.24Å; K43-Q46 PolarHBondContact O-N 3.32Å; K43-V90 VanDerWaalsContact O-CB 3.29Å; K43-V90 WeakPolarHBondContact O-CB 3.36Å; K43-V90 WeakPolarHBondContact O-CG1 2.96Å
44	P	86.5	Confident	81.1	Confident	71 Å²	71	37.9 Å²	37.9	46%	0.461	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	138.1	173.7	-20.7	27.3	0	0	0	112.1	Q46 T94	P44-Q46 PolarHBondContact O-N 3.11Å; P44-Q46 VanDerWaalsContact O-N 3.14Å; P44-T94 HydrophobicContact CB-CG2 4.03Å; P44-T94 HydrophobicContact CG-CG2 3.62Å
45	N	86.2	Confident	79.6	Confident	111 Å²	111	44.1 Å²	44.1	59%	0.594	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	19.1	179.3	-52.9	-39.2	0	0	0	114.8	K43 V90 S92	K43-N45 PolarHBondContact O-N 2.83Å; N45-V90 WeakPolarHBondContact CA-O 3.49Å; N45-V90 PolarHBondContact N-O 3.12Å; N45-S92 WeakPolarHBondContact OD1-CA 3.2Å; N45-S92 PolarHBondContact OD1-N 3.21Å
46	Q	88	Confident	78.1	Confident	48 Å²	48	41.3 Å²	41.3	22%	0.224	21%	0.214	C	C	.	.			trans	-83	134.7	175.8	-170.3	175.6	-0.9	0	0	110.6	V41 K43 P44 W48 V90	V41-Q46 PolarHBondContact O-OE1 3.47Å; V41-Q46 VanDerWaalsContact O-OE1 3.14Å; K43-Q46 HydrophobicContact CB-CB 4.29Å; K43-Q46 VanDerWaalsContact N-OE1 3.16Å; K43-Q46 WeakPolarHBondContact O-CB 3.24Å; K43-Q46 PolarHBondContact O-N 3.32Å; P44-Q46 PolarHBondContact O-N 3.11Å; P44-Q46 VanDerWaalsContact O-N 3.14Å; Q46-W48 VanDerWaalsContact NE2-CZ2 3.28Å; Q46-V90 PolarHBondContact O-N 2.78Å
47	L	89.4	Confident	76.2	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.5	176.1	-169.8	68	0	0	0	110.8	F76 D77 Q87 L89 S249	L47-F76 HydrophobicContact CD1-CD1 3.73Å; L47-F76 HydrophobicContact CD1-CE1 4.17Å; L47-D77 HydrophobicContact CD2-CB 3.86Å; L47-Q87 HydrophobicContact CD1-CB 4.08Å; L47-L89 HydrophobicContact CD1-CB 4.17Å; L47-L89 HydrophobicContact CD1-CD1 4.27Å; L47-S249 PolarHBondContact O-N 2.81Å; L47-S249 PolarHBondContact O-OG 3Å
48	W	91.3	Very high	74.4	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	178.8	-66.5	82.3	0	0	0	109.7	V41 L42 Q46 Q87 M88 K216 I218 W246 I247 P248	V41-W48 HydrophobicContact CG1-CH2 3.68Å; V41-W48 HydrophobicContact CG1-CZ2 3.95Å; L42-W48 HydrophobicContact CD2-CD2 4.44Å; L42-W48 HydrophobicContact CD2-CZ2 4.08Å; Q46-W48 VanDerWaalsContact NE2-CZ2 3.28Å; W48-Q87 CarbonylContact O-C 3.48Å; W48-Q87 VanDerWaalsContact O-CA 3.3Å; W48-Q87 WeakPolarHBondContact O-CA 3.47Å; W48-M88 HydrophobicContact CB-CB 4.22Å; W48-M88 HydrophobicContact CB-CE 3.8Å; W48-M88 HydrophobicContact CD2-CE 4.44Å; W48-M88 HydrophobicContact CG-CE 3.78Å; W48-M88 PolarHBondContact N-O 2.6Å; W48-M88 PolarHBondContact O-N 3.2Å; W48-K216 VanDerWaalsContact CZ3-O 3.29Å; W48-K216 WeakPolarHBondContact CZ3-O 3.15Å; W48-I218 HydrophobicContact CD2-CD1 4.23Å; W48-I218 HydrophobicContact CE3-CD1 3.93Å; W48-I218 HydrophobicContact CE3-CG1 4.41Å; W48-I218 HydrophobicContact CH2-CD1 3.22Å; W48-I218 HydrophobicContact CH2-CG1 3.71Å; W48-I218 HydrophobicContact CZ2-CD1 3.53Å; W48-I218 HydrophobicContact CZ2-CG1 4.48Å; W48-I218 HydrophobicContact CZ3-CB 4.37Å; W48-I218 HydrophobicContact CZ3-CD1 3.43Å; W48-I218 VanDerWaalsContact CZ3-CD1 3.43Å; W48-I218 HydrophobicContact CZ3-CG1 3.65Å; W48-W246 HydrophobicContact CB-CE3 3.92Å; W48-W246 HydrophobicContact CE3-CB 4.13Å; W48-I247 CarbonylContact C-O 3.54Å; W48-I247 VanDerWaalsContact CA-O 3.3Å; W48-I247 WeakPolarHBondContact CA-O 3.39Å; W48-P248 HydrophobicContact CE3-CB 4.42Å; W48-P248 HydrophobicContact CH2-CB 4.39Å; W48-P248 HydrophobicContact CZ3-CB 4.24Å; W48-P248 HydrophobicContact CZ3-CG 4.45Å
49	W	88.5	Confident	72.8	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.7	-179	-59.4	-17.6	0	0	0	110.8	D77 A80 W85 N86 W246 I247 S249 L250 Y345	W49-D77 HydrophobicContact CZ2-CB 4.17Å; W49-A80 HydrophobicContact CH2-CB 4.01Å; W49-A80 HydrophobicContact CZ2-CB 3.7Å; W49-W85 HydrophobicContact CB-CD2 4.29Å; W49-W85 HydrophobicContact CB-CE3 3.74Å; W49-W85 HydrophobicContact CB-CZ3 4.32Å; W49-W85 HydrophobicContact CE3-CD2 4.34Å; W49-N86 WeakPolarHBondContact CA-O 3.31Å; W49-W246 WeakPolarHBondContact O-CA 3.29Å; W49-I247 HydrophobicContact CB-CG1 4.16Å; W49-I247 PolarHBondContact N-O 2.85Å; W49-I247 PolarHBondContact O-N 2.9Å; W49-S249 VanDerWaalsContact CE2-CB 3.46Å; W49-L250 HydrophobicContact CE3-CG 4.33Å; W49-L250 HydrophobicContact CH2-CB 3.85Å; W49-L250 HydrophobicContact CH2-CG 4.38Å; W49-L250 HydrophobicContact CZ3-CB 3.64Å; W49-L250 HydrophobicContact CZ3-CD1 3.96Å; W49-L250 HydrophobicContact CZ3-CG 3.65Å; W49-Y345 HydrophobicContact CH2-CD2 4.11Å; W49-Y345 HydrophobicContact CZ3-CD2 4.39Å
50	T	86.3	Confident	70.8	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	171.8	169.8	-166.1	0	0	0	0	109	N86 L134 I244 L245 W246	T50-N86 HydrophobicContact CG2-CB 3.8Å; T50-N86 PolarHBondContact N-O 3.41Å; T50-N86 PolarHBondContact O-N 2.86Å; T50-N86 VanDerWaalsContact O-O 3.12Å; T50-L134 HydrophobicContact CG2-CD1 4.27Å; T50-L134 HydrophobicContact CG2-CD2 4.23Å; T50-I244 HydrophobicContact CG2-CG2 4.37Å; T50-L245 VanDerWaalsContact CB-O 3.3Å; T50-L245 WeakPolarHBondContact CB-O 3.42Å; T50-L245 PolarHBondContact OG1-O 2.89Å; T50-W246 HydrophobicContact CG2-CD2 4.04Å; T50-W246 HydrophobicContact CG2-CE3 3.8Å; T50-W246 HydrophobicContact CG2-CH2 3.25Å; T50-W246 HydrophobicContact CG2-CZ2 3.49Å; T50-W246 VanDerWaalsContact CG2-CZ2 3.49Å; T50-W246 HydrophobicContact CG2-CZ3 3.39Å
51	H	74.2	Confident	68.9	Low	26 Å²	26	48.5 Å²	48.5	12%	0.12	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	97.1	178.5	178.4	-157.5	21.2	0	0	0	116.1	G53 G84 N86 L131 G377 L378	H51-G53 VanDerWaalsContact C-N 3.28Å; H51-G53 PolarHBondContact O-N 3.32Å; H51-G84 PolarHBondContact CD2-O 3.38Å; H51-N86 HydrophobicContact CB-CB 4.05Å; H51-N86 WeakPolarHBondContact CB-ND2 3.3Å; H51-N86 PolarHBondContact CD2-ND2 3.48Å; H51-N86 VanDerWaalsContact CG-ND2 3.28Å; H51-L131 WeakPolarHBondContact NE2-CD2 3.32Å; H51-G377 WeakPolarHBondContact O-CA 3.31Å; H51-L378 PolarHBondContact O-N 3.05Å
52	D	61.1	Low	66.9	Low	25 Å²	25	52.5 Å²	52.5	13%	0.134	28%	0.28	C	S	.	.			trans	-76.9	-2.9	-150.7	-83.8	27.6	0	0	0	114.5	Q54 P376 G377 S413	D52-Q54 PolarHBondContact O-N 2.73Å; D52-P376 CarbonylContact O-C 3.48Å; D52-P376 WeakPolarHBondContact O-CB 3.46Å; D52-P376 WeakPolarHBondContact O-CG 3.47Å; D52-G377 PolarHBondContact O-N 2.76Å; D52-S413 WeakPolarHBondContact CB-OG 3.29Å; D52-S413 VanDerWaalsContact CG-OG 3.29Å; D52-S413 WeakPolarHBondContact OD2-CB 3.45Å; D52-S413 PolarHBondContact OD2-OG 2.94Å
53	G	50.9	Low	64.8	Low	9 Å²	9	54.9 Å²	54.9	9%	0.093	29%	0.292	C	S	.	.			trans	56.2	19.8	171.7	0	0	0	0	0	115.1	H51	H51-G53 VanDerWaalsContact C-N 3.28Å; H51-G53 PolarHBondContact O-N 3.32Å
54	Q	54	Low	62.5	Low	41 Å²	41	54.5 Å²	54.5	19%	0.192	30%	0.296	C	S	.	.			trans	-84.7	128.4	175	-82	-151.8	-34.1	0	0	110.7	D52 L56 E83 P376 Y411	D52-Q54 PolarHBondContact O-N 2.73Å; Q54-L56 PolarHBondContact O-N 3.24Å; Q54-E83 VanDerWaalsContact O-O 3.1Å; Q54-P376 HydrophobicContact CG-CB 3.95Å; Q54-P376 HydrophobicContact CG-CG 3.46Å; Q54-P376 VanDerWaalsContact CG-CG 3.46Å; Q54-Y411 PolarHBondContact OE1-OH 3.12Å
55	R	53.8	Low	60.3	Low	145 Å²	145	55 Å²	55	55%	0.547	30%	0.295	S	S	.	.			trans	-56.9	114.4	168.2	-162.7	-176.2	-169.2	160.1	9.7	108.2	D343	R55-D343 IonicContact CZ-OD2 3.54Å; R55-D343 IonicContact NH2-OD2 2.75Å; R55-D343 PolarHBondContact NH2-OD2 3.47Å
56	L	56.3	Low	58.1	Low	15 Å²	15	53.9 Å²	53.9	8%	0.079	28%	0.283	C	S	.	.			trans	-61	144.7	170	-57.1	177	0	0	0	107.8	Q54 V59 L102 L104 V168	Q54-L56 PolarHBondContact O-N 3.24Å; L56-V59 HydrophobicContact CB-CG2 3.93Å; L56-L102 HydrophobicContact CD1-CD1 4.12Å; L56-L102 HydrophobicContact CD1-CD2 3.54Å; L56-L102 HydrophobicContact CD1-CG 4.47Å; L56-L102 HydrophobicContact CD2-CD2 4.44Å; L56-L104 HydrophobicContact CD1-CD2 4.4Å; L56-L104 HydrophobicContact CD2-CD1 3.89Å; L56-L104 HydrophobicContact CD2-CD2 3.69Å; L56-L104 HydrophobicContact CD2-CG 4.29Å; L56-V168 HydrophobicContact CD1-CG1 4.32Å; L56-V168 HydrophobicContact CD1-CG2 4.04Å
57	P	49.7	Very low	55.9	Low	62 Å²	62	53.2 Å²	53.2	40%	0.403	28%	0.281	S	S	.	.	S	Bend	trans	-48.1	146.2	168.8	-20.8	30.4	0	0	0	108.7	V59	P57-V59 VanDerWaalsContact C-N 3.31Å; P57-V59 WeakPolarHBondContact O-CG2 3.32Å; P57-V59 PolarHBondContact O-N 3.47Å
58	P	44.7	Very low	53.6	Low	128 Å²	128	62.1 Å²	62.1	83%	0.831	31%	0.314	S	S	*	.			trans	-52.9	95.5	-173.5	21.1	-32.3	0	0	0	110.7	S60	P58-S60 PolarHBondContact O-N 3.49Å
59	V	43.7	Very low	51.4	Low	28 Å²	28	70.2 Å²	70.2	17%	0.17	35%	0.349	C	S	.	.			trans	-82.5	117.6	-178.4	-166.4	0	0	0	0	104.5	L56 P57 F61 T166 V168	L56-V59 HydrophobicContact CB-CG2 3.93Å; P57-V59 VanDerWaalsContact C-N 3.31Å; P57-V59 WeakPolarHBondContact O-CG2 3.32Å; P57-V59 PolarHBondContact O-N 3.47Å; V59-F61 HydrophobicContact CB-CD2 3.78Å; V59-F61 HydrophobicContact CB-CE2 3.67Å; V59-F61 HydrophobicContact CB-CZ 4.35Å; V59-F61 HydrophobicContact CG1-CD2 4.09Å; V59-F61 HydrophobicContact CG1-CE2 4.06Å; V59-F61 HydrophobicContact CG1-CG 4.38Å; V59-F61 HydrophobicContact CG1-CZ 4.35Å; V59-F61 HydrophobicContact CG2-CE2 4.03Å; V59-F61 PolarHBondContact O-N 3.49Å; V59-T166 WeakPolarHBondContact CG1-O 3.49Å; V59-V168 HydrophobicContact CB-CG2 4.36Å; V59-V168 HydrophobicContact CG1-CB 4.04Å; V59-V168 HydrophobicContact CG1-CG2 3.88Å; V59-V168 HydrophobicContact CG2-CB 4.45Å; V59-V168 HydrophobicContact CG2-CG2 3.61Å
60	S	40.1	Very low	49.3	Very low	71 Å²	71	76 Å²	76	50%	0.497	38%	0.375	S	S	.	.			trans	-68.6	81.8	164.2	56.9	0	0	0	0	107.8	P58 N62	P58-S60 PolarHBondContact O-N 3.49Å; S60-N62 PolarHBondContact O-N 2.83Å; S60-N62 VanDerWaalsContact O-N 3.08Å
61	F	42.7	Very low	47.2	Very low	58 Å²	58	82.6 Å²	82.6	25%	0.254	41%	0.414	S	S	.	.			trans	-64.3	110	166.3	-76.5	-82.3	0	0	0	107.2	V59 L63 S82 V168	V59-F61 HydrophobicContact CB-CD2 3.78Å; V59-F61 HydrophobicContact CB-CE2 3.67Å; V59-F61 HydrophobicContact CB-CZ 4.35Å; V59-F61 HydrophobicContact CG1-CD2 4.09Å; V59-F61 HydrophobicContact CG1-CE2 4.06Å; V59-F61 HydrophobicContact CG1-CG 4.38Å; V59-F61 HydrophobicContact CG1-CZ 4.35Å; V59-F61 HydrophobicContact CG2-CE2 4.03Å; V59-F61 PolarHBondContact O-N 3.49Å; F61-L63 HydrophobicContact CB-CB 4.03Å; F61-L63 HydrophobicContact CB-CD1 3.5Å; F61-L63 VanDerWaalsContact CB-CD1 3.5Å; F61-L63 HydrophobicContact CB-CG 4.38Å; F61-L63 HydrophobicContact CD1-CD1 3.45Å; F61-L63 VanDerWaalsContact CD1-CD1 3.45Å; F61-L63 HydrophobicContact CD2-CD1 4.33Å; F61-L63 HydrophobicContact CE1-CD1 4.2Å; F61-L63 HydrophobicContact CG-CD1 3.52Å; F61-L63 PolarHBondContact O-N 3.49Å; F61-S82 VanDerWaalsContact CE2-CB 3.46Å; F61-V168 HydrophobicContact CE1-CB 3.77Å; F61-V168 HydrophobicContact CE1-CG1 3.77Å; F61-V168 HydrophobicContact CZ-CB 3.67Å; F61-V168 HydrophobicContact CZ-CG1 3.6Å; F61-V168 HydrophobicContact CZ-CG2 4.37Å
62	N	43.9	Very low	46.1	Very low	105 Å²	105	84.1 Å²	84.1	56%	0.561	43%	0.425	S	S	*	.			trans	-76.1	66.2	152.1	-165.3	-0.6	0	0	0	108.2	S60 N64 D65	S60-N62 PolarHBondContact O-N 2.83Å; S60-N62 VanDerWaalsContact O-N 3.08Å; N62-N64 PolarHBondContact O-N 3.08Å; N62-N64 VanDerWaalsContact O-N 3.12Å; N62-D65 PolarHBondContact ND2-OD2 3.38Å; N62-D65 PolarHBondContact O-N 2.67Å
63	L	42	Very low	45.6	Very low	53 Å²	53	89.2 Å²	89.2	28%	0.277	45%	0.446	S	S	.	.	H	α-helix	trans	-58.8	-26.9	-174.8	-143.1	93.3	0	0	0	111.3	F61 D65 L67 L78	F61-L63 HydrophobicContact CB-CB 4.03Å; F61-L63 HydrophobicContact CB-CD1 3.5Å; F61-L63 VanDerWaalsContact CB-CD1 3.5Å; F61-L63 HydrophobicContact CB-CG 4.38Å; F61-L63 HydrophobicContact CD1-CD1 3.45Å; F61-L63 VanDerWaalsContact CD1-CD1 3.45Å; F61-L63 HydrophobicContact CD2-CD1 4.33Å; F61-L63 HydrophobicContact CE1-CD1 4.2Å; F61-L63 HydrophobicContact CG-CD1 3.52Å; F61-L63 PolarHBondContact O-N 3.49Å; L63-D65 PolarHBondContact O-N 3.12Å; L63-L67 HydrophobicContact CB-CD1 4.42Å; L63-L67 HydrophobicContact CD2-CD1 3.53Å; L63-L67 HydrophobicContact CG-CD1 3.66Å; L63-L67 HydrophobicContact CG-CG 4.45Å; L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 WeakPolarHBondContact O-CD1 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 2.97Å; L63-L67 PolarHBondContact O-N 3.06Å; L63-L78 HydrophobicContact CD2-CB 3.94Å; L63-L78 HydrophobicContact CD2-CD1 4.02Å; L63-L78 HydrophobicContact CD2-CG 4.43Å
64	N	40.4	Very low	46	Very low	126 Å²	126	98.3 Å²	98.3	67%	0.674	49%	0.486	S	S	*	.	H	α-helix	trans	-67.3	-31.8	-178	-87	-29.9	0	0	0	113.8	N62	N62-N64 PolarHBondContact O-N 3.08Å; N62-N64 VanDerWaalsContact O-N 3.12Å
65	D	40	Very low	47	Very low	81 Å²	81	97.6 Å²	97.6	43%	0.433	49%	0.49	S	S	.	.	H	α-helix	trans	-87.6	-34.4	-176.6	-75.3	-32.9	0	0	0	112.7	N62 L63	N62-D65 PolarHBondContact ND2-OD2 3.38Å; N62-D65 PolarHBondContact O-N 2.67Å; L63-D65 PolarHBondContact O-N 3.12Å
66	Y	40.3	Very low	48.3	Very low	88 Å²	88	91.9 Å²	91.9	35%	0.345	47%	0.47	S	S	.	.	H	α-helix	trans	-71.2	-39.6	177.7	-149	-93.9	0	0	0	112.4	R68	Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.94Å
67	L	40.3	Very low	49.4	Very low	35 Å²	35	93.6 Å²	93.6	18%	0.183	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.6	-175.5	-67.6	170.8	0	0	0	114.6	L63 K69 K73 L78	L63-L67 HydrophobicContact CB-CD1 4.42Å; L63-L67 HydrophobicContact CD2-CD1 3.53Å; L63-L67 HydrophobicContact CG-CD1 3.66Å; L63-L67 HydrophobicContact CG-CG 4.45Å; L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 WeakPolarHBondContact O-CD1 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 2.97Å; L63-L67 PolarHBondContact O-N 3.06Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 2.93Å; L67-K73 WeakPolarHBondContact O-CE 3.34Å; L67-K73 PolarHBondContact O-NZ 3.49Å; L67-L78 HydrophobicContact CD1-CD1 3.32Å; L67-L78 HydrophobicContact CD1-CD2 4.2Å; L67-L78 HydrophobicContact CD1-CG 4.34Å; L67-L78 HydrophobicContact CD2-CD1 4.13Å; L67-L78 HydrophobicContact CD2-CD2 3.89Å; L67-L78 HydrophobicContact CG-CD1 4.39Å
68	R	42	Very low	50.5	Low	202 Å²	202	92.9 Å²	92.9	76%	0.762	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.5	175.8	-87	-178.4	178.1	-176.4	2.1	113	Y66	Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.94Å
69	K	44.3	Very low	51.9	Low	171 Å²	171	90.4 Å²	90.4	74%	0.743	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-24.7	-173.1	-77.5	-176.9	175.7	178.3	0	115.2	L67	L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 2.93Å
70	F	45.6	Very low	53.4	Low	124 Å²	124	89.2 Å²	89.2	54%	0.544	45%	0.447	S	S	.	.			trans	-102.3	124	-178.2	-75.4	-84.6	0	0	0	112.2	V72	F70-V72 PolarHBondContact O-N 3Å; F70-V72 VanDerWaalsContact O-N 3.15Å
71	V	42.4	Very low	55.1	Low	142 Å²	142	86 Å²	86	86%	0.861	42%	0.424	S	S	*	.	S	Bend	trans	-71	-5.1	-168.1	174.3	0	0	0	0	113.6	K73	V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 3.3Å
72	V	49.3	Very low	56.2	Low	58 Å²	58	85.1 Å²	85.1	35%	0.352	43%	0.425	S	S	.	.			trans	-88	62	-176.2	-162.7	0	0	0	0	111.4	F70 F76	F70-V72 PolarHBondContact O-N 3Å; F70-V72 VanDerWaalsContact O-N 3.15Å; V72-F76 HydrophobicContact CG1-CD2 4.06Å; V72-F76 HydrophobicContact CG1-CE2 3.79Å
73	K	52	Low	57.3	Low	132 Å²	132	80.8 Å²	80.8	57%	0.574	40%	0.402	S	S	*	.			trans	-91.1	3.7	-170.5	-109.6	-174.7	-179.6	168.1	0	116.9	L67 V71	L67-K73 WeakPolarHBondContact O-CE 3.34Å; L67-K73 PolarHBondContact O-NZ 3.49Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 3.3Å
74	Q	59.1	Low	58.8	Low	199 Å²	199	78.5 Å²	78.5	93%	0.93	39%	0.391	S	S	*	.	S	Bend	trans	-123.6	8.5	-165.5	-71.5	-167.8	-3.8	0	0	118
75	G	73.7	Confident	60.6	Low	27 Å²	27	72.6 Å²	72.6	28%	0.278	36%	0.359	S	S	.	.	S	Bend	trans	-141	-20.3	-178.5	0	0	0	0	0	118.3
76	F	81.6	Confident	62.8	Low	25 Å²	25	68.9 Å²	68.9	11%	0.11	34%	0.339	C	S	.	.			trans	-88.3	145.4	-177.9	-68.7	-70.6	0	0	0	112.6	L47 V72 Q87 L89 W98 Q100	L47-F76 HydrophobicContact CD1-CD1 3.73Å; L47-F76 HydrophobicContact CD1-CE1 4.17Å; V72-F76 HydrophobicContact CG1-CD2 4.06Å; V72-F76 HydrophobicContact CG1-CE2 3.79Å; F76-Q87 HydrophobicContact CD1-CB 3.66Å; F76-Q87 HydrophobicContact CE1-CB 3.88Å; F76-L89 HydrophobicContact CD1-CB 4.25Å; F76-L89 HydrophobicContact CE1-CB 3.57Å; F76-L89 HydrophobicContact CE2-CB 4.29Å; F76-L89 HydrophobicContact CE2-CD2 4.22Å; F76-L89 HydrophobicContact CZ-CB 3.6Å; F76-L89 HydrophobicContact CZ-CD2 4.36Å; F76-W98 HydrophobicContact CE2-CB 4.23Å; F76-W98 HydrophobicContact CZ-CB 3.73Å; F76-Q100 HydrophobicContact CD1-CB 3.98Å; F76-Q100 HydrophobicContact CE1-CB 3.81Å; F76-Q100 HydrophobicContact CG-CB 4.41Å; F76-Q100 HydrophobicContact CZ-CB 4.09Å
77	D	79.8	Confident	65.1	Low	50 Å²	50	64.7 Å²	64.7	27%	0.267	32%	0.323	S	S	.	.			trans	-93.4	96.6	176.7	-172.9	-21	0	0	0	110	L47 W49 T79 A80 A81 Q87	L47-D77 HydrophobicContact CD2-CB 3.86Å; W49-D77 HydrophobicContact CZ2-CB 4.17Å; D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 PolarHBondContact O-N 3.31Å; D77-T79 WeakPolarHBondContact OD1-CB 3.47Å; D77-T79 PolarHBondContact OD1-N 3.36Å; D77-T79 VanDerWaalsContact OD1-N 3.07Å; D77-A80 HydrophobicContact CB-CB 3.97Å; D77-A80 PolarHBondContact O-N 3.22Å; D77-A80 PolarHBondContact OD1-N 3.21Å; D77-A81 PolarHBondContact O-N 3.04Å; D77-Q87 PolarHBondContact O-NE2 3.46Å
78	L	73.4	Confident	67.6	Low	48 Å²	48	63 Å²	63	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-70.2	-24.5	-175.9	-64.9	158.6	0	0	0	113.3	L63 L67 A81 S82 L170	L63-L78 HydrophobicContact CD2-CB 3.94Å; L63-L78 HydrophobicContact CD2-CD1 4.02Å; L63-L78 HydrophobicContact CD2-CG 4.43Å; L67-L78 HydrophobicContact CD1-CD1 3.32Å; L67-L78 HydrophobicContact CD1-CD2 4.2Å; L67-L78 HydrophobicContact CD1-CG 4.34Å; L67-L78 HydrophobicContact CD2-CD1 4.13Å; L67-L78 HydrophobicContact CD2-CD2 3.89Å; L67-L78 HydrophobicContact CG-CD1 4.39Å; L78-A81 WeakPolarHBondContact O-CB 3.19Å; L78-A81 PolarHBondContact O-N 2.88Å; L78-S82 PolarHBondContact O-N 3.49Å; L78-L170 HydrophobicContact CD2-CD1 3.98Å
79	T	72.6	Confident	69.9	Low	76 Å²	76	54.2 Å²	54.2	47%	0.466	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-49.2	174.4	-50.1	0	0	0	0	108.9	D77 A81 S82 E83	D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 PolarHBondContact O-N 3.31Å; D77-T79 WeakPolarHBondContact OD1-CB 3.47Å; D77-T79 PolarHBondContact OD1-N 3.36Å; D77-T79 VanDerWaalsContact OD1-N 3.07Å; T79-A81 VanDerWaalsContact C-N 3.26Å; T79-A81 PolarHBondContact O-N 2.04Å; T79-S82 WeakPolarHBondContact O-CB 3.18Å; T79-S82 PolarHBondContact O-N 3.17Å; T79-S82 PolarHBondContact O-OG 3.19Å; T79-E83 PolarHBondContact O-N 2.8Å
80	A	75.6	Confident	72.1	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-38.3	173.9	0	0	0	0	0	111.7	W49 D77 S82 E83 G84 W85	W49-A80 HydrophobicContact CH2-CB 4.01Å; W49-A80 HydrophobicContact CZ2-CB 3.7Å; D77-A80 HydrophobicContact CB-CB 3.97Å; D77-A80 PolarHBondContact O-N 3.22Å; D77-A80 PolarHBondContact OD1-N 3.21Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 2.94Å; A80-E83 CarbonylContact O-C 3.47Å; A80-E83 WeakPolarHBondContact O-CA 3.44Å; A80-E83 WeakPolarHBondContact O-CB 3.39Å; A80-E83 PolarHBondContact O-N 3.2Å; A80-G84 PolarHBondContact O-N 2.85Å; A80-W85 HydrophobicContact CB-CB 4.18Å; A80-W85 HydrophobicContact CB-CG 4.27Å; A80-W85 WeakPolarHBondContact O-CB 3.49Å; A80-W85 PolarHBondContact O-N 3.25Å; A80-W85 VanDerWaalsContact O-N 3.14Å
81	A	75.4	Confident	74.2	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-44.2	173.7	0	0	0	0	0	111.8	D77 L78 T79 E83 G84 L102 L170	D77-A81 PolarHBondContact O-N 3.04Å; L78-A81 WeakPolarHBondContact O-CB 3.19Å; L78-A81 PolarHBondContact O-N 2.88Å; T79-A81 VanDerWaalsContact C-N 3.26Å; T79-A81 PolarHBondContact O-N 2.04Å; A81-E83 PolarHBondContact O-N 3.43Å; A81-E83 VanDerWaalsContact O-N 3.12Å; A81-G84 PolarHBondContact O-N 2.82Å; A81-L102 HydrophobicContact CB-CD1 4.48Å; A81-L102 WeakPolarHBondContact O-CD1 3.49Å; A81-L170 HydrophobicContact CB-CD2 4.24Å
82	S	67.6	Low	76.3	Confident	40 Å²	40	37.5 Å²	37.5	28%	0.28	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-19.5	177.4	75.9	0	0	0	0	113.9	F61 L78 T79 A80 G84	F61-S82 VanDerWaalsContact CE2-CB 3.46Å; L78-S82 PolarHBondContact O-N 3.49Å; T79-S82 WeakPolarHBondContact O-CB 3.18Å; T79-S82 PolarHBondContact O-N 3.17Å; T79-S82 PolarHBondContact O-OG 3.19Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 2.94Å; S82-G84 VanDerWaalsContact C-N 3.33Å
83	E	66.6	Low	78	Confident	15 Å²	15	39.4 Å²	39.4	7%	0.07	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.7	173.8	-60.2	-172.4	124.3	0	0	113.2	Q54 T79 A80 A81 D343 Y345	Q54-E83 VanDerWaalsContact O-O 3.1Å; T79-E83 PolarHBondContact O-N 2.8Å; A80-E83 CarbonylContact O-C 3.47Å; A80-E83 WeakPolarHBondContact O-CA 3.44Å; A80-E83 WeakPolarHBondContact O-CB 3.39Å; A80-E83 PolarHBondContact O-N 3.2Å; A81-E83 PolarHBondContact O-N 3.43Å; A81-E83 VanDerWaalsContact O-N 3.12Å; E83-D343 VanDerWaalsContact OE1-O 3.09Å; E83-Y345 PolarHBondContact OE1-N 3.09Å; E83-Y345 PolarHBondContact OE2-N 3.31Å; E83-Y345 VanDerWaalsContact OE2-O 3.1Å
84	G	72.1	Confident	79.6	Confident	4 Å²	4	33.4 Å²	33.4	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	9.6	176.2	0	0	0	0	0	115	H51 A80 A81 S82 N86	H51-G84 PolarHBondContact CD2-O 3.38Å; A80-G84 PolarHBondContact O-N 2.85Å; A81-G84 PolarHBondContact O-N 2.82Å; S82-G84 VanDerWaalsContact C-N 3.33Å; G84-N86 PolarHBondContact O-N 3.11Å
85	W	79.9	Confident	81	Confident	3 Å²	3	25.8 Å²	25.8	1%	0.011	16%	0.156	C	C	.	.			trans	-79.8	120.9	178.9	-67.3	102.9	0	0	0	112.5	W49 A80 I247 I347 L378	W49-W85 HydrophobicContact CB-CD2 4.29Å; W49-W85 HydrophobicContact CB-CE3 3.74Å; W49-W85 HydrophobicContact CB-CZ3 4.32Å; W49-W85 HydrophobicContact CE3-CD2 4.34Å; A80-W85 HydrophobicContact CB-CB 4.18Å; A80-W85 HydrophobicContact CB-CG 4.27Å; A80-W85 WeakPolarHBondContact O-CB 3.49Å; A80-W85 PolarHBondContact O-N 3.25Å; A80-W85 VanDerWaalsContact O-N 3.14Å; W85-I247 HydrophobicContact CH2-CD1 4.41Å; W85-I247 HydrophobicContact CZ3-CD1 4.45Å; W85-I347 HydrophobicContact CH2-CB 3.69Å; W85-I347 HydrophobicContact CH2-CD1 3.6Å; W85-I347 HydrophobicContact CH2-CG1 3.94Å; W85-I347 HydrophobicContact CH2-CG2 4.27Å; W85-I347 HydrophobicContact CZ2-CB 3.54Å; W85-I347 HydrophobicContact CZ2-CD1 3.54Å; W85-I347 HydrophobicContact CZ2-CG1 3.55Å; W85-L378 HydrophobicContact CZ3-CD1 4.31Å
86	N	85.3	Confident	81.8	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	146.8	163	-67.3	-35	0	0	0	109.4	W49 T50 H51 G84 Q100 Q101 L102 L134	W49-N86 WeakPolarHBondContact CA-O 3.31Å; T50-N86 HydrophobicContact CG2-CB 3.8Å; T50-N86 PolarHBondContact N-O 3.41Å; T50-N86 PolarHBondContact O-N 2.86Å; T50-N86 VanDerWaalsContact O-O 3.12Å; H51-N86 HydrophobicContact CB-CB 4.05Å; H51-N86 WeakPolarHBondContact CB-ND2 3.3Å; H51-N86 PolarHBondContact CD2-ND2 3.48Å; H51-N86 VanDerWaalsContact CG-ND2 3.28Å; G84-N86 PolarHBondContact O-N 3.11Å; N86-Q100 WeakPolarHBondContact CA-O 3.41Å; N86-Q101 WeakPolarHBondContact OD1-CA 3.42Å; N86-L102 PolarHBondContact OD1-N 3.43Å; N86-L134 HydrophobicContact CB-CD1 3.84Å
87	Q	88.7	Confident	82.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.6	-167.2	-55.6	179.1	42.4	0	0	112.2	L47 W48 F76 D77 I99 Q100	L47-Q87 HydrophobicContact CD1-CB 4.08Å; W48-Q87 CarbonylContact O-C 3.48Å; W48-Q87 VanDerWaalsContact O-CA 3.3Å; W48-Q87 WeakPolarHBondContact O-CA 3.47Å; F76-Q87 HydrophobicContact CD1-CB 3.66Å; F76-Q87 HydrophobicContact CE1-CB 3.88Å; D77-Q87 PolarHBondContact O-NE2 3.46Å; Q87-I99 CarbonylContact O-C 3.47Å; Q87-I99 WeakPolarHBondContact O-CA 3.39Å; Q87-Q100 HydrophobicContact CB-CB 4.38Å; Q87-Q100 PolarHBondContact N-O 3.37Å; Q87-Q100 PolarHBondContact O-N 2.04Å
88	M	92.1	Very high	82.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.1	172.1	173.8	179.5	71.6	0	0	108.5	L42 W48 L97 W98 I99 I220 W246	L42-M88 HydrophobicContact CD2-CE 4Å; W48-M88 HydrophobicContact CB-CB 4.22Å; W48-M88 HydrophobicContact CB-CE 3.8Å; W48-M88 HydrophobicContact CD2-CE 4.44Å; W48-M88 HydrophobicContact CG-CE 3.78Å; W48-M88 PolarHBondContact N-O 2.6Å; W48-M88 PolarHBondContact O-N 3.2Å; M88-L97 HydrophobicContact CG-CB 4.14Å; M88-L97 HydrophobicContact CG-CD2 4.28Å; M88-L97 HydrophobicContact SD-CB 4.24Å; M88-L97 HydrophobicContact SD-CD1 3.8Å; M88-L97 HydrophobicContact SD-CD2 4.03Å; M88-L97 HydrophobicContact SD-CG 4.23Å; M88-W98 CarbonylContact C-O 3.56Å; M88-W98 VanDerWaalsContact CA-O 3.32Å; M88-W98 WeakPolarHBondContact CA-O 2.85Å; M88-I99 HydrophobicContact CB-CD1 3.65Å; M88-I99 HydrophobicContact CG-CD1 3.62Å; M88-I99 HydrophobicContact SD-CD1 4.19Å; M88-I220 HydrophobicContact CE-CD1 4.24Å; M88-I220 HydrophobicContact SD-CD1 4.22Å; M88-W246 HydrophobicContact CB-CE3 3.88Å; M88-W246 HydrophobicContact CB-CH2 3.6Å; M88-W246 HydrophobicContact CB-CZ2 4.38Å; M88-W246 HydrophobicContact CB-CZ3 3.33Å; M88-W246 HydrophobicContact CE-CD2 4.29Å; M88-W246 HydrophobicContact CE-CE3 4.35Å
89	L	91.4	Very high	83.6	Confident	18 Å²	18	24.6 Å²	24.6	9%	0.094	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	174.7	178.8	70.3	0	0	0	109	L47 F76 S91 W98	L47-L89 HydrophobicContact CD1-CB 4.17Å; L47-L89 HydrophobicContact CD1-CD1 4.27Å; F76-L89 HydrophobicContact CD1-CB 4.25Å; F76-L89 HydrophobicContact CE1-CB 3.57Å; F76-L89 HydrophobicContact CE2-CB 4.29Å; F76-L89 HydrophobicContact CE2-CD2 4.22Å; F76-L89 HydrophobicContact CZ-CB 3.6Å; F76-L89 HydrophobicContact CZ-CD2 4.36Å; L89-S91 PolarHBondContact O-N 3.25Å; L89-W98 HydrophobicContact CB-CB 4.27Å; L89-W98 PolarHBondContact N-O 3.38Å; L89-W98 PolarHBondContact O-N 2.75Å
90	V	90.7	Very high	84.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.9	173.6	-173.2	0	0	0	0	108.5	L42 K43 N45 Q46 T94 L97	L42-V90 HydrophobicContact CB-CG2 4.28Å; L42-V90 HydrophobicContact CD2-CG2 3.96Å; K43-V90 VanDerWaalsContact O-CB 3.29Å; K43-V90 WeakPolarHBondContact O-CB 3.36Å; K43-V90 WeakPolarHBondContact O-CG1 2.96Å; N45-V90 WeakPolarHBondContact CA-O 3.49Å; N45-V90 PolarHBondContact N-O 3.12Å; Q46-V90 PolarHBondContact O-N 2.78Å; V90-T94 HydrophobicContact CG1-CG2 4Å; V90-L97 HydrophobicContact CB-CD2 4.36Å; V90-L97 HydrophobicContact CG1-CD2 4.31Å; V90-L97 HydrophobicContact CG2-CD2 3.94Å
91	S	89.3	Confident	84.5	Confident	12 Å²	12	21.1 Å²	21.1	8%	0.084	12%	0.117	C	C	.	.			trans	-60.2	159.7	176.5	60.2	0	0	0	0	112.6	L89 N93 T94 D95 L96	L89-S91 PolarHBondContact O-N 3.25Å; S91-N93 PolarHBondContact O-N 3.03Å; S91-T94 PolarHBondContact O-N 2.91Å; S91-T94 VanDerWaalsContact O-N 3.16Å; S91-T94 PolarHBondContact OG-N 3.18Å; S91-D95 PolarHBondContact OG-OD1 2.84Å; S91-L96 VanDerWaalsContact CB-O 3.23Å; S91-L96 WeakPolarHBondContact CB-O 3Å; S91-L96 PolarHBondContact N-O 2.87Å; S91-L96 PolarHBondContact OG-N 3.07Å; S91-L96 VanDerWaalsContact OG-N 3.12Å; S91-L96 PolarHBondContact OG-O 2.91Å
92	S	86.1	Confident	84.5	Confident	73 Å²	73	21.1 Å²	21.1	51%	0.51	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.4	176.4	58.3	0	0	0	0	113	N45	N45-S92 WeakPolarHBondContact OD1-CA 3.2Å; N45-S92 PolarHBondContact OD1-N 3.21Å
93	N	84.1	Confident	84.6	Confident	98 Å²	98	19.2 Å²	19.2	52%	0.524	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.7	-176.5	-58.2	-5	0	0	0	112.6	Q35 S91 D95	Q35-N93 PolarHBondContact NE2-O 2.94Å; S91-N93 PolarHBondContact O-N 3.03Å; N93-D95 WeakPolarHBondContact CB-OD1 3.15Å; N93-D95 PolarHBondContact O-N 2.7Å
94	T	86.5	Confident	84.5	Confident	6 Å²	6	19 Å²	19	4%	0.037	10%	0.102	C	C	.	.	S	Bend	trans	56.6	12.9	175.6	62.1	0	0	0	0	115.6	Q35 F36 S37 P44 V90 S91	Q35-T94 CarbonylContact C-O 3.57Å; Q35-T94 WeakPolarHBondContact CA-O 3.23Å; F36-T94 WeakPolarHBondContact CB-O 3.18Å; F36-T94 WeakPolarHBondContact CD2-O 2.95Å; F36-T94 PolarHBondContact N-O 3.03Å; S37-T94 WeakPolarHBondContact CB-OG1 3.47Å; S37-T94 PolarHBondContact OG-OG1 3.18Å; P44-T94 HydrophobicContact CB-CG2 4.03Å; P44-T94 HydrophobicContact CG-CG2 3.62Å; V90-T94 HydrophobicContact CG1-CG2 4Å; S91-T94 PolarHBondContact O-N 2.91Å; S91-T94 VanDerWaalsContact O-N 3.16Å; S91-T94 PolarHBondContact OG-N 3.18Å
95	D	88.6	Confident	83.8	Confident	39 Å²	39	20.3 Å²	20.3	21%	0.209	11%	0.107	C	C	.	.	S	Bend	trans	-87.8	-23.2	174.1	58.1	-18	0	0	0	112.5	F36 S91 N93 C177	F36-D95 WeakPolarHBondContact CE2-O 3.33Å; S91-D95 PolarHBondContact OG-OD1 2.84Å; N93-D95 WeakPolarHBondContact CB-OD1 3.15Å; N93-D95 PolarHBondContact O-N 2.7Å; D95-C177 WeakPolarHBondContact O-CB 3.49Å; D95-C177 PolarHBondContact O-N 3.2Å
96	L	91.2	Very high	82.3	Confident	39 Å²	39	22 Å²	22	20%	0.204	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.9	-179	-69.7	150.8	0	0	0	112	S91 I175 R176	S91-L96 VanDerWaalsContact CB-O 3.23Å; S91-L96 WeakPolarHBondContact CB-O 3Å; S91-L96 PolarHBondContact N-O 2.87Å; S91-L96 PolarHBondContact OG-N 3.07Å; S91-L96 VanDerWaalsContact OG-N 3.12Å; S91-L96 PolarHBondContact OG-O 2.91Å; L96-I175 CarbonylContact C-O 3.53Å; L96-I175 WeakPolarHBondContact CA-O 3.26Å; L96-R176 HydrophobicContact CD2-CB 3.78Å; L96-R176 HydrophobicContact CD2-CG 4.11Å
97	L	92.3	Very high	80.2	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.2	163.1	-56.3	169.7	0	0	0	107.9	F36 M88 V90 S174 I175 F206	F36-L97 HydrophobicContact CD1-CD1 4.07Å; F36-L97 HydrophobicContact CD1-CG 4.5Å; F36-L97 HydrophobicContact CD2-CD1 4.09Å; F36-L97 HydrophobicContact CD2-CD2 3.96Å; F36-L97 HydrophobicContact CD2-CG 3.64Å; F36-L97 HydrophobicContact CE1-CD1 3.83Å; F36-L97 HydrophobicContact CE1-CG 4.42Å; F36-L97 HydrophobicContact CE2-CD1 3.85Å; F36-L97 HydrophobicContact CE2-CD2 4.38Å; F36-L97 HydrophobicContact CE2-CG 3.55Å; F36-L97 HydrophobicContact CG-CD1 4.2Å; F36-L97 HydrophobicContact CG-CD2 4.21Å; F36-L97 HydrophobicContact CG-CG 4.13Å; F36-L97 HydrophobicContact CZ-CD1 3.71Å; F36-L97 HydrophobicContact CZ-CG 3.96Å; M88-L97 HydrophobicContact CG-CB 4.14Å; M88-L97 HydrophobicContact CG-CD2 4.28Å; M88-L97 HydrophobicContact SD-CB 4.24Å; M88-L97 HydrophobicContact SD-CD1 3.8Å; M88-L97 HydrophobicContact SD-CD2 4.03Å; M88-L97 HydrophobicContact SD-CG 4.23Å; V90-L97 HydrophobicContact CB-CD2 4.36Å; V90-L97 HydrophobicContact CG1-CD2 4.31Å; V90-L97 HydrophobicContact CG2-CD2 3.94Å; L97-S174 WeakPolarHBondContact O-CA 3.09Å; L97-I175 HydrophobicContact CB-CB 4.26Å; L97-I175 PolarHBondContact N-O 2.65Å; L97-I175 PolarHBondContact O-N 3.05Å; L97-F206 HydrophobicContact CD1-CZ 4.11Å
98	W	90.3	Very high	77.8	Confident	86 Å²	86	35 Å²	35	33%	0.326	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.7	173	-69.6	99.6	0	0	0	109.1	F76 M88 L89	F76-W98 HydrophobicContact CE2-CB 4.23Å; F76-W98 HydrophobicContact CZ-CB 3.73Å; M88-W98 CarbonylContact C-O 3.56Å; M88-W98 VanDerWaalsContact CA-O 3.32Å; M88-W98 WeakPolarHBondContact CA-O 2.85Å; L89-W98 HydrophobicContact CB-CB 4.27Å; L89-W98 PolarHBondContact N-O 3.38Å; L89-W98 PolarHBondContact O-N 2.75Å
99	I	88.4	Confident	75.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.5	176.5	-48.9	-60.5	0	0	0	109.4	Q87 M88 L134 F135 H172 Y173 I175 W246	Q87-I99 CarbonylContact O-C 3.47Å; Q87-I99 WeakPolarHBondContact O-CA 3.39Å; M88-I99 HydrophobicContact CB-CD1 3.65Å; M88-I99 HydrophobicContact CG-CD1 3.62Å; M88-I99 HydrophobicContact SD-CD1 4.19Å; I99-L134 HydrophobicContact CG2-CD1 4.1Å; I99-F135 HydrophobicContact CD1-CE2 4.21Å; I99-F135 HydrophobicContact CG1-CE2 4.14Å; I99-H172 WeakPolarHBondContact O-CA 3.12Å; I99-Y173 HydrophobicContact CB-CD1 4.29Å; I99-Y173 HydrophobicContact CB-CD2 4.01Å; I99-Y173 HydrophobicContact CB-CE1 3.9Å; I99-Y173 HydrophobicContact CB-CE2 3.58Å; I99-Y173 HydrophobicContact CB-CG 4.35Å; I99-Y173 HydrophobicContact CG1-CD2 4.13Å; I99-Y173 HydrophobicContact CG1-CE2 3.59Å; I99-Y173 HydrophobicContact CG2-CE1 3.77Å; I99-Y173 HydrophobicContact CG2-CE2 3.99Å; I99-Y173 VanDerWaalsContact CG2-CZ 3.42Å; I99-Y173 VanDerWaalsContact CG2-OH 3.27Å; I99-Y173 WeakPolarHBondContact CG2-OH 3.24Å; I99-Y173 PolarHBondContact N-O 2.96Å; I99-Y173 PolarHBondContact O-N 2.79Å; I99-Y173 VanDerWaalsContact O-N 3.13Å; I99-I175 HydrophobicContact CD1-CD1 4.13Å; I99-I175 HydrophobicContact CG1-CD1 3.8Å; I99-I175 HydrophobicContact CG1-CG1 4.16Å; I99-W246 HydrophobicContact CD1-CH2 4.42Å
100	Q	85.5	Confident	72.2	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.6	167.3	-178.7	178.8	-78.2	0	0	107.8	F76 N86 Q87 L170 I171 H172	F76-Q100 HydrophobicContact CD1-CB 3.98Å; F76-Q100 HydrophobicContact CE1-CB 3.81Å; F76-Q100 HydrophobicContact CG-CB 4.41Å; F76-Q100 HydrophobicContact CZ-CB 4.09Å; N86-Q100 WeakPolarHBondContact CA-O 3.41Å; Q87-Q100 HydrophobicContact CB-CB 4.38Å; Q87-Q100 PolarHBondContact N-O 3.37Å; Q87-Q100 PolarHBondContact O-N 2.04Å; Q100-L170 HydrophobicContact CG-CB 4.34Å; Q100-L170 HydrophobicContact CG-CD1 4.44Å; Q100-L170 HydrophobicContact CG-CD2 4.13Å; Q100-I171 WeakPolarHBondContact CA-O 3.47Å; Q100-H172 WeakPolarHBondContact CG-NE2 3.34Å; Q100-H172 PolarHBondContact OE1-NE2 2.77Å
101	Q	81.5	Confident	69.2	Low	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.5	177.9	-176.9	170.7	-12	0	0	110.7	N86 S132 L134 L170 I171 Y173	N86-Q101 WeakPolarHBondContact OD1-CA 3.42Å; Q101-S132 PolarHBondContact NE2-O 2.67Å; Q101-L134 HydrophobicContact CB-CD1 4.4Å; Q101-L134 HydrophobicContact CG-CD1 4.33Å; Q101-L134 HydrophobicContact CG-CG 4.45Å; Q101-L170 WeakPolarHBondContact O-CA 3.42Å; Q101-I171 PolarHBondContact N-O 3.36Å; Q101-I171 PolarHBondContact O-N 3.46Å; Q101-Y173 HydrophobicContact CB-CE1 4.17Å
102	L	75.3	Confident	66.4	Low	2 Å²	2	64.4 Å²	64.4	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.4	-179.9	-152.7	129	0	0	0	111.5	L56 A81 N86 L104 L131 V168 L170	L56-L102 HydrophobicContact CD1-CD1 4.12Å; L56-L102 HydrophobicContact CD1-CD2 3.54Å; L56-L102 HydrophobicContact CD1-CG 4.47Å; L56-L102 HydrophobicContact CD2-CD2 4.44Å; A81-L102 HydrophobicContact CB-CD1 4.48Å; A81-L102 WeakPolarHBondContact O-CD1 3.49Å; N86-L102 PolarHBondContact OD1-N 3.43Å; L102-L104 HydrophobicContact CD2-CD2 4.42Å; L102-L104 HydrophobicContact CD2-CG 4.11Å; L102-L131 WeakPolarHBondContact O-CD1 3.27Å; L102-V168 HydrophobicContact CD1-CG1 3.93Å; L102-V168 HydrophobicContact CD2-CG1 3.41Å; L102-V168 VanDerWaalsContact CD2-CG1 3.41Å; L102-V168 HydrophobicContact CG-CG1 3.52Å; L102-L170 HydrophobicContact CB-CD2 4.45Å; L102-L170 HydrophobicContact CD1-CD2 3.88Å; L102-L170 HydrophobicContact CG-CD2 4.16Å
103	C	70.9	Confident	63.7	Low	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.7	175.1	-87.3	0	0	0	0	110.9	C147 V168 H169 I171	C103-C147 HydrophobicContact CB-CB 3.69Å; C103-C147 WeakPolarHBondContact CB-SG 3.15Å; C103-C147 VanDerWaalsContact SG-CA 3.55Å; C103-C147 WeakPolarHBondContact SG-CB 3.37Å; C103-C147 CovalentContact SG-SG 2.04Å; C103-C147 PolarHBondContact SG-SG 2.87Å; C103-V168 WeakPolarHBondContact O-CA 3.3Å; C103-H169 WeakPolarHBondContact CB-CE1 3.44Å; C103-H169 WeakPolarHBondContact CB-NE2 3.22Å; C103-H169 PolarHBondContact N-O 2.79Å; C103-H169 PolarHBondContact O-N 3.28Å; C103-H169 VanDerWaalsContact O-N 3.1Å; C103-I171 WeakPolarHBondContact SG-CD1 3.22Å
104	L	64.4	Low	61.2	Low	11 Å²	11	74.5 Å²	74.5	6%	0.058	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.5	-175	-75.2	157.2	0	0	0	111.5	L56 L102 I129 L131 V168	L56-L104 HydrophobicContact CD1-CD2 4.4Å; L56-L104 HydrophobicContact CD2-CD1 3.89Å; L56-L104 HydrophobicContact CD2-CD2 3.69Å; L56-L104 HydrophobicContact CD2-CG 4.29Å; L102-L104 HydrophobicContact CD2-CD2 4.42Å; L102-L104 HydrophobicContact CD2-CG 4.11Å; L104-I129 HydrophobicContact CB-CB 4.47Å; L104-I129 HydrophobicContact CB-CG2 4.49Å; L104-L131 HydrophobicContact CD1-CD1 4Å; L104-L131 HydrophobicContact CG-CD1 4.45Å; L104-V168 HydrophobicContact CD2-CG2 3.5Å; L104-V168 VanDerWaalsContact CD2-CG2 3.5Å
105	H	56.6	Low	58.5	Low	32 Å²	32	81.9 Å²	81.9	15%	0.148	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.4	174.2	-74.9	-71.7	0	0	0	111	F128 T166 F167 H169	H105-F128 AromaticContact CE1-CD1 3.51Å; H105-F128 AromaticContact CE1-CE1 3.46Å; H105-F128 VanDerWaalsContact CE1-CE1 3.46Å; H105-F128 WeakPolarHBondContact CE1-CE1 3.46Å; H105-F128 AromaticContact ND1-CD1 3.07Å; H105-F128 WeakPolarHBondContact ND1-CD1 3.47Å; H105-F128 AromaticContact ND1-CE1 3.17Å; H105-F128 WeakPolarHBondContact ND1-CE1 3.46Å; H105-T166 WeakPolarHBondContact O-CA 3.18Å; H105-F167 HydrophobicContact CB-CB 4.21Å; H105-F167 PolarHBondContact N-O 2.81Å; H105-F167 PolarHBondContact O-N 2.94Å; H105-H169 AromaticContact CD2-CE1 3.66Å; H105-H169 AromaticContact CD2-ND1 3.35Å; H105-H169 PolarHBondContact CD2-ND1 3.23Å; H105-H169 AromaticContact NE2-CE1 3.1Å; H105-H169 PolarHBondContact NE2-CE1 2.99Å; H105-H169 AromaticContact NE2-ND1 3.29Å; H105-H169 PolarHBondContact NE2-ND1 3.44Å
106	P	48.5	Very low	55.7	Low	38 Å²	38	83.6 Å²	83.6	25%	0.247	41%	0.413	C	S	.	.			trans	-76.5	124.4	166.6	-6.7	24.4	0	0	0	109.3	Q108 R127 I129	P106-Q108 PolarHBondContact O-N 3.49Å; P106-R127 WeakPolarHBondContact CD-O 3.48Å; P106-R127 VanDerWaalsContact CG-O 3.24Å; P106-R127 WeakPolarHBondContact CG-O 3.48Å; P106-I129 HydrophobicContact CG-CB 3.93Å; P106-I129 HydrophobicContact CG-CD1 3.65Å; P106-I129 HydrophobicContact CG-CG1 3.45Å; P106-I129 VanDerWaalsContact CG-CG1 3.45Å
107	Y	42.2	Very low	52.9	Low	125 Å²	125	87.6 Å²	87.6	49%	0.49	44%	0.443	S	S	.	.			trans	-82.2	100	168.2	-134.8	-87.4	0	0	0	108.5	F167	Y107-F167 AromaticContact CD2-CD2 3.97Å; Y107-F167 HydrophobicContact CD2-CD2 3.97Å; Y107-F167 AromaticContact CD2-CE2 3.92Å; Y107-F167 HydrophobicContact CD2-CE2 3.92Å; Y107-F167 HydrophobicContact CE2-CE2 4.36Å
108	Q	38.3	Very low	50	Low	150 Å²	150	93 Å²	93	70%	0.701	48%	0.482	S	S	*	.			trans	-114	96.4	163.5	-85.6	-170.1	-15.2	0	0	109.4	P106 L110	P106-Q108 PolarHBondContact O-N 3.49Å; Q108-L110 PolarHBondContact O-N 2.92Å
109	R	35.2	Very low	47.1	Very low	184 Å²	184	94.4 Å²	94.4	69%	0.694	51%	0.505	S	S	*	.			trans	-85.3	103.3	164.2	-131.7	-176.6	-166.7	179	5.5	107.5	N111	R109-N111 PolarHBondContact O-N 3.15Å
110	L	31.3	Very low	44.2	Very low	151 Å²	151	99 Å²	99	79%	0.791	54%	0.537	S	S	*	.			trans	-69	101.5	167.4	-87.4	159.1	0	0	0	108.4	Q108 M112	Q108-L110 PolarHBondContact O-N 2.92Å; L110-M112 PolarHBondContact O-N 3.26Å
111	N	27.2	Very low	41.5	Very low	149 Å²	149	105 Å²	105	80%	0.797	58%	0.576	S	S	*	*			trans	-68.3	77.1	163.4	-86.9	-19	0	0	0	109.2	R109 K113	R109-N111 PolarHBondContact O-N 3.15Å; N111-K113 PolarHBondContact O-N 3.33Å
112	M	29.2	Very low	38.9	Very low	164 Å²	164	112.2 Å²	112.2	81%	0.808	61%	0.614	S	S	*	*			trans	-79.4	96.6	157.8	-90.4	-159.7	141.5	0	0	108.1	L110 Q114	L110-M112 PolarHBondContact O-N 3.26Å; M112-Q114 PolarHBondContact O-N 3.5Å
113	K	30.4	Very low	36.7	Very low	193 Å²	193	119.9 Å²	119.9	84%	0.839	65%	0.654	S	S	*	*			trans	-57.3	107.5	151.7	-81.6	-176.3	175	-180	0	106.4	N111 N115	N111-K113 PolarHBondContact O-N 3.33Å; K113-N115 PolarHBondContact O-N 2.89Å
114	Q	31.2	Very low	34.9	Very low	189 Å²	189	127.2 Å²	127.2	88%	0.883	69%	0.692	S	S	*	*			trans	-53	104	168.1	-74.8	-178.5	-10.6	0	0	108.5	M112	M112-Q114 PolarHBondContact O-N 3.5Å
115	N	29.5	Very low	33.4	Very low	162 Å²	162	132.9 Å²	132.9	87%	0.866	72%	0.722	S	S	*	*			trans	-143	110.2	160.3	-93	-12.7	0	0	0	105.9	K113	K113-N115 PolarHBondContact O-N 2.89Å
116	G	29.7	Very low	32.6	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	75%	0.745	S	S	*	*	S	Bend	trans	114.5	105.6	169	0	0	0	0	0	114	S118	G116-S118 PolarHBondContact O-N 2.86Å
117	S	32.7	Very low	32	Very low	122 Å²	122	145.9 Å²	145.9	85%	0.853	77%	0.765	S	S	*	*			trans	-39.8	121.8	165.9	51	0	0	0	0	114.6
118	S	31.7	Very low	32	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	75%	0.753	S	S	*	*				-174.9	141	125.7	53	0	0	0	0	109.8	G116 S120	G116-S118 PolarHBondContact O-N 2.86Å; S118-S120 PolarHBondContact O-N 2.8Å
119	S	29.3	Very low	32.4	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	73%	0.734	S	S	*	*			trans	-65.5	116.5	-172.8	45.4	0	0	0	0	113.5
120	S	27.8	Very low	33	Very low	97 Å²	97	132 Å²	132	68%	0.678	71%	0.713	S	S	*	*			trans	-164.5	133.4	140.2	-79.1	0	0	0	0	108.4	S118 L122	S118-S120 PolarHBondContact O-N 2.8Å; S120-L122 VanDerWaalsContact C-N 3.26Å; S120-L122 PolarHBondContact O-N 3.35Å
121	P	28	Very low	34.3	Very low	130 Å²	130	125.5 Å²	125.5	84%	0.844	68%	0.679	S	S	*	*			trans	-72.6	88.4	173.4	30.9	-29.3	0	0	0	107.3	L123	P121-L123 PolarHBondContact O-N 3.26Å
122	L	27.7	Very low	36.2	Very low	151 Å²	151	121.6 Å²	121.6	79%	0.791	66%	0.663	S	S	*	*			trans	-66.9	100.9	167.1	-81.5	162.1	0	0	0	106.7	S120 I124	S120-L122 VanDerWaalsContact C-N 3.26Å; S120-L122 PolarHBondContact O-N 3.35Å; L122-I124 PolarHBondContact O-N 2.86Å
123	L	29.1	Very low	38.3	Very low	164 Å²	164	114.6 Å²	114.6	86%	0.859	63%	0.63	S	S	*	*			trans	-44.5	116	163	-80.7	154.1	0	0	0	107.4	P121 D125	P121-L123 PolarHBondContact O-N 3.26Å; L123-D125 PolarHBondContact O-N 3.43Å
124	I	33.5	Very low	40.7	Very low	154 Å²	154	106.8 Å²	106.8	79%	0.79	60%	0.597	S	S	*	*			trans	-68.5	89.2	175.6	-61.6	169.6	0	0	0	105.7	L122 R126	L122-I124 PolarHBondContact O-N 2.86Å; I124-R126 PolarHBondContact O-N 3.31Å
125	D	33.3	Very low	43.3	Very low	130 Å²	130	97.9 Å²	97.9	70%	0.695	56%	0.555	S	S	*	*			trans	-69.8	93.7	179.6	-152.7	12.2	0	0	0	107.4	L123 R127	L123-D125 PolarHBondContact O-N 3.43Å; D125-R127 VanDerWaalsContact C-N 3.26Å; D125-R127 PolarHBondContact O-N 3.26Å
126	R	38.7	Very low	45.7	Very low	165 Å²	165	91.3 Å²	91.3	62%	0.623	52%	0.52	S	S	*	.			trans	-61	94.5	170.2	-76.9	-177.1	176.9	-177.9	-1.2	106	I124 F128	I124-R126 PolarHBondContact O-N 3.31Å; R126-F128 VanDerWaalsContact C-N 3.33Å; R126-F128 HydrophobicContact CB-CD2 4.26Å; R126-F128 HydrophobicContact CB-CE1 4.43Å; R126-F128 HydrophobicContact CB-CE2 3.62Å; R126-F128 HydrophobicContact CB-CZ 3.74Å; R126-F128 HydrophobicContact CG-CZ 4.46Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.49Å; R126-F128 PolarHBondContact O-N 2.93Å
127	R	36.9	Very low	47.8	Very low	177 Å²	177	87.7 Å²	87.7	67%	0.668	48%	0.484	S	S	*	.			trans	-70.1	92.8	-179.9	-68.8	-174.1	-168	176.4	4.2	109.3	P106 D125	P106-R127 WeakPolarHBondContact CD-O 3.48Å; P106-R127 VanDerWaalsContact CG-O 3.24Å; P106-R127 WeakPolarHBondContact CG-O 3.48Å; D125-R127 VanDerWaalsContact C-N 3.26Å; D125-R127 PolarHBondContact O-N 3.26Å
128	F	42	Very low	49.9	Very low	57 Å²	57	82.4 Å²	82.4	25%	0.25	45%	0.446	C	S	.	.			trans	-73.6	133.3	167	-59.4	-70.3	0	0	0	108.6	H105 R126 Q130 D145	H105-F128 AromaticContact CE1-CD1 3.51Å; H105-F128 AromaticContact CE1-CE1 3.46Å; H105-F128 VanDerWaalsContact CE1-CE1 3.46Å; H105-F128 WeakPolarHBondContact CE1-CE1 3.46Å; H105-F128 AromaticContact ND1-CD1 3.07Å; H105-F128 WeakPolarHBondContact ND1-CD1 3.47Å; H105-F128 AromaticContact ND1-CE1 3.17Å; H105-F128 WeakPolarHBondContact ND1-CE1 3.46Å; R126-F128 VanDerWaalsContact C-N 3.33Å; R126-F128 HydrophobicContact CB-CD2 4.26Å; R126-F128 HydrophobicContact CB-CE1 4.43Å; R126-F128 HydrophobicContact CB-CE2 3.62Å; R126-F128 HydrophobicContact CB-CZ 3.74Å; R126-F128 HydrophobicContact CG-CZ 4.46Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.49Å; R126-F128 PolarHBondContact O-N 2.93Å; F128-Q130 HydrophobicContact CB-CG 3.8Å; F128-Q130 PolarHBondContact O-N 3.11Å; F128-Q130 VanDerWaalsContact O-N 3.08Å; F128-D145 WeakPolarHBondContact CD2-OD2 3.23Å; F128-D145 WeakPolarHBondContact CG-OD2 3.07Å
129	I	45.9	Very low	51.5	Low	58 Å²	58	81.8 Å²	81.8	30%	0.297	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-81.1	87.7	164.2	-73	173.5	0	0	0	104.8	L104 P106 L131 Y411	L104-I129 HydrophobicContact CB-CB 4.47Å; L104-I129 HydrophobicContact CB-CG2 4.49Å; P106-I129 HydrophobicContact CG-CB 3.93Å; P106-I129 HydrophobicContact CG-CD1 3.65Å; P106-I129 HydrophobicContact CG-CG1 3.45Å; P106-I129 VanDerWaalsContact CG-CG1 3.45Å; I129-L131 PolarHBondContact O-N 3.3Å; I129-Y411 HydrophobicContact CD1-CD2 4.2Å; I129-Y411 HydrophobicContact CD1-CE2 4.43Å; I129-Y411 VanDerWaalsContact CG2-CB 3.45Å; I129-Y411 HydrophobicContact CG2-CD2 3.36Å; I129-Y411 HydrophobicContact CG2-CE2 4.33Å; I129-Y411 HydrophobicContact CG2-CG 3.62Å
130	Q	49.1	Very low	52.6	Low	54 Å²	54	79.1 Å²	79.1	25%	0.252	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-75.2	115.5	-173.2	-72.1	-173.1	-53.3	0	0	110.8	F128 S132 D145	F128-Q130 HydrophobicContact CB-CG 3.8Å; F128-Q130 PolarHBondContact O-N 3.11Å; F128-Q130 VanDerWaalsContact O-N 3.08Å; Q130-S132 PolarHBondContact O-N 3.49Å; Q130-D145 PolarHBondContact NE2-OD1 3.47Å; Q130-D145 PolarHBondContact NE2-OD2 2.83Å
131	L	58.1	Low	53.7	Low	13 Å²	13	77.8 Å²	77.8	7%	0.068	41%	0.405	C	S	.	.			trans	-81.3	113.3	160.3	-72.1	168.8	0	0	0	107.4	H51 L102 L104 I129	H51-L131 WeakPolarHBondContact NE2-CD2 3.32Å; L102-L131 WeakPolarHBondContact O-CD1 3.27Å; L104-L131 HydrophobicContact CD1-CD1 4Å; L104-L131 HydrophobicContact CG-CD1 4.45Å; I129-L131 PolarHBondContact O-N 3.3Å
132	S	65.8	Low	54.4	Low	67 Å²	67	78.2 Å²	78.2	47%	0.469	40%	0.4	S	S	.	.			trans	-55.4	149.2	173.5	-40.9	0	0	0	0	110.1	Q101 Q130 L134	Q101-S132 PolarHBondContact NE2-O 2.67Å; Q130-S132 PolarHBondContact O-N 3.49Å; S132-L134 PolarHBondContact O-N 3.11Å
133	P	74.1	Confident	55.2	Low	18 Å²	18	80.1 Å²	80.1	12%	0.117	41%	0.405	C	S	.	.			trans	-54.3	141.6	172.7	-14.4	22.4	0	0	0	110.8	F135 L138 I139 W146	P133-F135 PolarHBondContact O-N 3.44Å; P133-L138 HydrophobicContact CB-CB 3.41Å; P133-L138 VanDerWaalsContact CB-CB 3.41Å; P133-L138 HydrophobicContact CB-CD1 3.92Å; P133-L138 HydrophobicContact CB-CG 4.24Å; P133-L138 HydrophobicContact CG-CB 3.82Å; P133-I139 HydrophobicContact CG-CG1 4.11Å; P133-W146 HydrophobicContact CB-CD2 4.13Å; P133-W146 HydrophobicContact CB-CE3 4.43Å; P133-W146 HydrophobicContact CB-CG 4.49Å; P133-W146 HydrophobicContact CB-CZ2 4.42Å; P133-W146 HydrophobicContact CG-CB 4.2Å; P133-W146 HydrophobicContact CG-CD2 3.78Å; P133-W146 HydrophobicContact CG-CE3 4.06Å; P133-W146 HydrophobicContact CG-CG 3.83Å
134	L	81.2	Confident	56	Low	29 Å²	29	77.8 Å²	77.8	15%	0.152	39%	0.394	C	S	.	.	S	Bend	trans	-62.7	-29.7	178.2	-75.2	166.5	0	0	0	112.8	T50 N86 I99 Q101 S132 Q222 I244 W246	T50-L134 HydrophobicContact CG2-CD1 4.27Å; T50-L134 HydrophobicContact CG2-CD2 4.23Å; N86-L134 HydrophobicContact CB-CD1 3.84Å; I99-L134 HydrophobicContact CG2-CD1 4.1Å; Q101-L134 HydrophobicContact CB-CD1 4.4Å; Q101-L134 HydrophobicContact CG-CD1 4.33Å; Q101-L134 HydrophobicContact CG-CG 4.45Å; S132-L134 PolarHBondContact O-N 3.11Å; L134-Q222 PolarHBondContact O-NE2 3.18Å; L134-I244 HydrophobicContact CB-CD1 4.49Å; L134-I244 WeakPolarHBondContact O-CD1 3.14Å; L134-W246 HydrophobicContact CD1-CH2 4.49Å
135	F	84.4	Confident	57.2	Low	1 Å²	1	72.2 Å²	72.2	0%	0.004	37%	0.365	C	S	.	.	S	Bend	trans	-113.9	133.2	-176	-65.9	-91.2	0	0	0	112.2	I99 P133 G137 L138 Y173 I175 L192 L204 I244 W246	I99-F135 HydrophobicContact CD1-CE2 4.21Å; I99-F135 HydrophobicContact CG1-CE2 4.14Å; P133-F135 PolarHBondContact O-N 3.44Å; F135-G137 PolarHBondContact O-N 3.01Å; F135-G137 VanDerWaalsContact O-N 3.16Å; F135-L138 HydrophobicContact CB-CD1 4.3Å; F135-L138 HydrophobicContact CB-CG 4.37Å; F135-L138 VanDerWaalsContact O-CB 3.28Å; F135-L138 WeakPolarHBondContact O-CB 3.04Å; F135-L138 WeakPolarHBondContact O-CG 3.38Å; F135-L138 PolarHBondContact O-N 3.32Å; F135-Y173 AromaticContact CD2-CE2 3.99Å; F135-Y173 HydrophobicContact CD2-CE2 3.99Å; F135-Y173 WeakPolarHBondContact CD2-OH 3.28Å; F135-Y173 HydrophobicContact CE2-CE2 4.37Å; F135-I175 HydrophobicContact CD1-CD1 4.18Å; F135-I175 HydrophobicContact CD2-CD1 3.86Å; F135-I175 HydrophobicContact CE1-CD1 3.8Å; F135-I175 HydrophobicContact CE2-CD1 3.45Å; F135-I175 VanDerWaalsContact CE2-CD1 3.45Å; F135-I175 HydrophobicContact CG-CD1 4.21Å; F135-I175 HydrophobicContact CZ-CD1 3.41Å; F135-I175 VanDerWaalsContact CZ-CD1 3.41Å; F135-L192 HydrophobicContact CB-CD2 3.81Å; F135-L192 HydrophobicContact CG-CD2 4.21Å; F135-L204 HydrophobicContact CD1-CD2 4Å; F135-L204 HydrophobicContact CE1-CD1 4.08Å; F135-L204 HydrophobicContact CE1-CD2 3.9Å; F135-I244 HydrophobicContact CD1-CD1 4.41Å; F135-I244 HydrophobicContact CE1-CD1 4.16Å; F135-I244 HydrophobicContact CZ-CD1 4.28Å; F135-W246 HydrophobicContact CZ-CZ2 4.48Å
136	N	80.4	Confident	58.8	Low	24 Å²	24	67.8 Å²	67.8	13%	0.128	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.9	-176.6	-62.1	-24.2	0	0	0	113	L138 I139 S223 D242	N136-L138 PolarHBondContact O-N 2.87Å; N136-I139 HydrophobicContact CB-CD1 4.31Å; N136-I139 PolarHBondContact O-N 3.47Å; N136-I139 WeakPolarHBondContact OD1-CD1 3.05Å; N136-S223 PolarHBondContact ND2-O 2.98Å; N136-D242 PolarHBondContact ND2-OD2 3.28Å
137	G	75.1	Confident	60.1	Low	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-48.8	-22	169.1	0	0	0	0	0	115.1	F135 V226	F135-G137 PolarHBondContact O-N 3.01Å; F135-G137 VanDerWaalsContact O-N 3.16Å; G137-V226 VanDerWaalsContact CA-CG1 3.44Å
138	L	75.9	Confident	61.1	Low	11 Å²	11	53.4 Å²	53.4	6%	0.058	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-103.2	-8.9	-174.6	-51.2	179.5	0	0	0	112.8	P133 F135 N136 W146 Y173 L192 L194	P133-L138 HydrophobicContact CB-CB 3.41Å; P133-L138 VanDerWaalsContact CB-CB 3.41Å; P133-L138 HydrophobicContact CB-CD1 3.92Å; P133-L138 HydrophobicContact CB-CG 4.24Å; P133-L138 HydrophobicContact CG-CB 3.82Å; F135-L138 HydrophobicContact CB-CD1 4.3Å; F135-L138 HydrophobicContact CB-CG 4.37Å; F135-L138 VanDerWaalsContact O-CB 3.28Å; F135-L138 WeakPolarHBondContact O-CB 3.04Å; F135-L138 WeakPolarHBondContact O-CG 3.38Å; F135-L138 PolarHBondContact O-N 3.32Å; N136-L138 PolarHBondContact O-N 2.87Å; L138-W146 HydrophobicContact CB-CH2 4.48Å; L138-W146 HydrophobicContact CB-CZ3 4.11Å; L138-W146 HydrophobicContact CD1-CH2 3.67Å; L138-W146 HydrophobicContact CD1-CZ2 4.18Å; L138-W146 HydrophobicContact CD1-CZ3 4.14Å; L138-W146 HydrophobicContact CG-CH2 4.47Å; L138-W146 HydrophobicContact CG-CZ3 4.49Å; L138-Y173 HydrophobicContact CD1-CD2 4.28Å; L138-Y173 HydrophobicContact CD1-CE1 4.28Å; L138-Y173 HydrophobicContact CD1-CE2 3.82Å; L138-L192 HydrophobicContact CD1-CD2 4.28Å; L138-L192 HydrophobicContact CD2-CB 4.19Å; L138-L192 HydrophobicContact CD2-CD2 3.88Å; L138-L192 HydrophobicContact CG-CD2 4.01Å; L138-L194 HydrophobicContact CD2-CD1 3.55Å; L138-L194 HydrophobicContact CD2-CD2 3.69Å; L138-L194 HydrophobicContact CD2-CG 3.78Å
139	I	65.8	Low	61.7	Low	102 Å²	102	55.7 Å²	55.7	52%	0.523	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.6	-177.4	-59.9	176.9	0	0	0	111.2	P133 N136 F141	P133-I139 HydrophobicContact CG-CG1 4.11Å; N136-I139 HydrophobicContact CB-CD1 4.31Å; N136-I139 PolarHBondContact O-N 3.47Å; N136-I139 WeakPolarHBondContact OD1-CD1 3.05Å; I139-F141 PolarHBondContact O-N 3.15Å
140	G	52.9	Low	62	Low	60 Å²	60	55 Å²	55	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5.6	-168.9	0	0	0	0	0	117.8
141	F	49.8	Very low	61.9	Low	68 Å²	68	54.5 Å²	54.5	30%	0.298	30%	0.295	S	S	.	.	S	Bend	trans	-115.8	87.5	-177.9	-65.3	-81	0	0	0	112.2	I139 R149 L194 V200 L228	I139-F141 PolarHBondContact O-N 3.15Å; F141-R149 PolarHBondContact O-NH1 2.79Å; F141-R149 PolarHBondContact O-NH2 2.82Å; F141-L194 HydrophobicContact CE2-CD1 4.43Å; F141-V200 HydrophobicContact CE2-CB 4.46Å; F141-V200 HydrophobicContact CE2-CG2 3.25Å; F141-V200 HydrophobicContact CZ-CG2 3.28Å; F141-L228 HydrophobicContact CZ-CD2 4.38Å
142	D	43.9	Very low	61.2	Low	140 Å²	140	59.2 Å²	59.2	75%	0.749	33%	0.325	S	S	*	.			trans	61.5	149.2	163.7	-90.5	-26.1	0	0	0	119.7	D144 R149	D142-D144 PolarHBondContact O-N 2.76Å; D142-R149 VanDerWaalsContact CB-NH2 3.33Å
143	E	44.1	Very low	60.1	Low	191 Å²	191	61.6 Å²	61.6	89%	0.893	33%	0.331	S	S	*	.	S	Bend	trans	-57.2	-9.8	-172.6	-60.2	-174.3	153.7	0	0	115.6	D145	E143-D145 PolarHBondContact O-N 2.95Å
144	D	44.6	Very low	58.4	Low	115 Å²	115	69.4 Å²	69.4	62%	0.615	36%	0.358	S	S	*	.	S	Bend	trans	-90	92.4	-179.1	-70.9	-36.8	0	0	0	112.4	D142 R149	D142-D144 PolarHBondContact O-N 2.76Å; D144-R149 PolarHBondContact O-NE 2.82Å
145	D	59	Low	56.2	Low	36 Å²	36	75.9 Å²	75.9	19%	0.193	39%	0.393	C	S	.	.			trans	22.8	99.2	155	-86.5	40.3	0	0	0	117.9	F128 Q130 E143 C147 S148 R149	F128-D145 WeakPolarHBondContact CD2-OD2 3.23Å; F128-D145 WeakPolarHBondContact CG-OD2 3.07Å; Q130-D145 PolarHBondContact NE2-OD1 3.47Å; Q130-D145 PolarHBondContact NE2-OD2 2.83Å; E143-D145 PolarHBondContact O-N 2.95Å; D145-C147 PolarHBondContact O-N 2.8Å; D145-C147 VanDerWaalsContact O-N 3.09Å; D145-S148 VanDerWaalsContact CB-CB 3.5Å; D145-S148 WeakPolarHBondContact CB-OG 3.43Å; D145-S148 WeakPolarHBondContact O-CA 3.48Å; D145-S148 WeakPolarHBondContact O-CB 3.21Å; D145-S148 PolarHBondContact O-N 2.71Å; D145-S148 PolarHBondContact O-OG 2.7Å; D145-R149 PolarHBondContact O-N 3.26Å
146	W	66.7	Low	53.9	Low	38 Å²	38	78.7 Å²	78.7	14%	0.144	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-45.1	172.7	166.3	-111.1	0	0	0	114.2	P133 L138 I171 Y173 L194	P133-W146 HydrophobicContact CB-CD2 4.13Å; P133-W146 HydrophobicContact CB-CE3 4.43Å; P133-W146 HydrophobicContact CB-CG 4.49Å; P133-W146 HydrophobicContact CB-CZ2 4.42Å; P133-W146 HydrophobicContact CG-CB 4.2Å; P133-W146 HydrophobicContact CG-CD2 3.78Å; P133-W146 HydrophobicContact CG-CE3 4.06Å; P133-W146 HydrophobicContact CG-CG 3.83Å; L138-W146 HydrophobicContact CB-CH2 4.48Å; L138-W146 HydrophobicContact CB-CZ3 4.11Å; L138-W146 HydrophobicContact CD1-CH2 3.67Å; L138-W146 HydrophobicContact CD1-CZ2 4.18Å; L138-W146 HydrophobicContact CD1-CZ3 4.14Å; L138-W146 HydrophobicContact CG-CH2 4.47Å; L138-W146 HydrophobicContact CG-CZ3 4.49Å; W146-I171 HydrophobicContact CH2-CG2 4.28Å; W146-I171 HydrophobicContact CZ2-CD1 4.27Å; W146-I171 HydrophobicContact CZ2-CG2 3.91Å; W146-Y173 HydrophobicContact CH2-CD1 4.17Å; W146-Y173 HydrophobicContact CH2-CE1 4.29Å; W146-Y173 HydrophobicContact CZ2-CD1 4.19Å; W146-Y173 AromaticContact CZ2-CE1 3.99Å; W146-Y173 HydrophobicContact CZ2-CE1 3.99Å; W146-L194 HydrophobicContact CH2-CD2 4.17Å; W146-L194 HydrophobicContact CZ3-CD2 3.76Å
147	C	66	Low	52	Low	2 Å²	2	85.2 Å²	85.2	1%	0.014	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.1	178.5	-67.4	0	0	0	0	113.6	C103 D145 T151 H169	C103-C147 HydrophobicContact CB-CB 3.69Å; C103-C147 WeakPolarHBondContact CB-SG 3.15Å; C103-C147 VanDerWaalsContact SG-CA 3.55Å; C103-C147 WeakPolarHBondContact SG-CB 3.37Å; C103-C147 CovalentContact SG-SG 2.04Å; C103-C147 PolarHBondContact SG-SG 2.87Å; D145-C147 PolarHBondContact O-N 2.8Å; D145-C147 VanDerWaalsContact O-N 3.09Å; C147-T151 WeakPolarHBondContact O-CG2 3.49Å; C147-H169 PolarHBondContact O-CE1 3.15Å; C147-H169 VanDerWaalsContact O-CE1 3.24Å; C147-H169 PolarHBondContact O-NE2 2.98Å
148	S	57.7	Low	50.3	Low	38 Å²	38	94 Å²	94	27%	0.266	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-37	-179.1	75.6	0	0	0	0	113.1	D145 N150 T151	D145-S148 VanDerWaalsContact CB-CB 3.5Å; D145-S148 WeakPolarHBondContact CB-OG 3.43Å; D145-S148 WeakPolarHBondContact O-CA 3.48Å; D145-S148 WeakPolarHBondContact O-CB 3.21Å; D145-S148 PolarHBondContact O-N 2.71Å; D145-S148 PolarHBondContact O-OG 2.7Å; S148-N150 PolarHBondContact O-N 3.12Å; S148-T151 PolarHBondContact O-N 3.11Å; S148-T151 VanDerWaalsContact O-N 3.12Å; S148-T151 PolarHBondContact O-OG1 2.87Å
149	R	56.1	Low	48.6	Very low	105 Å²	105	99.4 Å²	99.4	40%	0.396	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.7	-176.4	-75.4	-171	-179.1	168.3	6.9	114.9	F141 D142 D144 D145	F141-R149 PolarHBondContact O-NH1 2.79Å; F141-R149 PolarHBondContact O-NH2 2.82Å; D142-R149 VanDerWaalsContact CB-NH2 3.33Å; D144-R149 PolarHBondContact O-NE 2.82Å; D145-R149 PolarHBondContact O-N 3.26Å
150	N	51	Low	47.5	Very low	42 Å²	42	98.4 Å²	98.4	23%	0.225	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	6.9	-175.9	-69.4	-36.2	0	0	0	113.3	S148 V152 I171	S148-N150 PolarHBondContact O-N 3.12Å; N150-V152 PolarHBondContact O-N 3.13Å; N150-I171 HydrophobicContact CB-CD1 4.36Å; N150-I171 HydrophobicContact CB-CG1 4.23Å; N150-I171 WeakPolarHBondContact ND2-CG2 3.42Å
151	T	48.3	Very low	47	Very low	44 Å²	44	102.8 Å²	102.8	27%	0.27	53%	0.525	S	S	.	.			trans	-80.1	113.1	177.2	54.2	0	0	0	0	111.2	C147 S148 L153	C147-T151 WeakPolarHBondContact O-CG2 3.49Å; S148-T151 PolarHBondContact O-N 3.11Å; S148-T151 VanDerWaalsContact O-N 3.12Å; S148-T151 PolarHBondContact O-OG1 2.87Å; T151-L153 PolarHBondContact O-N 2.78Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.32Å
152	V	42.6	Very low	46.8	Very low	113 Å²	113	104.6 Å²	104.6	69%	0.685	53%	0.533	S	S	*	.			trans	-73.6	83.7	147.5	-178.2	0	0	0	0	105.1	N150 W154	N150-V152 PolarHBondContact O-N 3.13Å; V152-W154 VanDerWaalsContact O-CD1 3.32Å; V152-W154 PolarHBondContact O-N 2.76Å
153	L	41.8	Very low	46.7	Very low	116 Å²	116	101.4 Å²	101.4	61%	0.607	53%	0.526	S	S	*	.			trans	-63	121.1	172.5	-106.4	140.7	0	0	0	107.7	T151 D155	T151-L153 PolarHBondContact O-N 2.78Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.32Å; L153-D155 PolarHBondContact O-N 3.21Å
154	W	39.9	Very low	46.7	Very low	182 Å²	182	99.6 Å²	99.6	69%	0.689	52%	0.522	S	S	*	.			trans	-75.4	109	173.9	-73.1	57.7	0	0	0	107.5	V152 S156	V152-W154 VanDerWaalsContact O-CD1 3.32Å; V152-W154 PolarHBondContact O-N 2.76Å; W154-S156 PolarHBondContact O-N 2.02Å
155	D	34.9	Very low	46.8	Very low	166 Å²	166	96.5 Å²	96.5	89%	0.888	51%	0.506	S	S	*	.			trans	-67.3	81	155	-81.9	-23.8	0	0	0	107.4	L153	L153-D155 PolarHBondContact O-N 3.21Å
156	S	36.1	Very low	46.4	Very low	59 Å²	59	96.4 Å²	96.4	41%	0.413	51%	0.507	S	S	.	.			trans	-127.9	100	162.1	62.7	0	0	0	0	108.3	W154 E158	W154-S156 PolarHBondContact O-N 2.02Å; S156-E158 PolarHBondContact O-N 3.49Å
157	D	39.3	Very low	45.8	Very low	162 Å²	162	98.3 Å²	98.3	87%	0.866	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	5.6	175.1	-73.9	-44.4	0	0	0	114.3
158	E	39.9	Very low	45.6	Very low	183 Å²	183	99.2 Å²	99.2	86%	0.855	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.5	-172.1	-71.8	-167.8	157.1	0	0	115.9	S156	S156-E158 PolarHBondContact O-N 3.49Å
159	E	40.8	Very low	46.1	Very low	125 Å²	125	98.1 Å²	98.1	58%	0.584	51%	0.512	S	S	*	.			trans	-103.4	58.2	174.5	-76.6	-165.5	143.8	0	0	112.6	D161	E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 2.92Å
160	S	41.5	Very low	46.8	Very low	82 Å²	82	94 Å²	94	57%	0.573	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.5	178.7	62.8	0	0	0	0	115.2
161	D	44.4	Very low	48	Very low	151 Å²	151	92.3 Å²	92.3	81%	0.807	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	2.1	-164.7	-76.3	2.6	0	0	0	115.5	E159	E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 2.92Å
162	K	44.4	Very low	49.5	Very low	106 Å²	106	92.4 Å²	92.4	46%	0.461	49%	0.486	S	S	.	.			trans	-114.2	65.7	178.8	-64.9	-175.4	-177.5	174.9	0	112.4	N164 D165	K162-N164 PolarHBondContact O-N 3.36Å; K162-D165 WeakPolarHBondContact CD-OD2 3.36Å
163	A	42.6	Very low	51.4	Low	73 Å²	73	87.3 Å²	87.3	60%	0.603	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	2.6	-175.1	0	0	0	0	0	116
164	N	44.2	Very low	53.5	Low	153 Å²	153	82.4 Å²	82.4	82%	0.818	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	2.9	-174.2	-79.4	-11.9	0	0	0	115.3	K162	K162-N164 PolarHBondContact O-N 3.36Å
165	D	45.7	Very low	56	Low	51 Å²	51	73.7 Å²	73.7	27%	0.273	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-89.8	117.5	-173.7	-69.6	-11.6	0	0	0	111	K162 F167	K162-D165 WeakPolarHBondContact CD-OD2 3.36Å; D165-F167 HydrophobicContact CB-CE2 4.5Å; D165-F167 VanDerWaalsContact O-CD2 3.27Å; D165-F167 WeakPolarHBondContact O-CD2 3.36Å; D165-F167 PolarHBondContact O-N 2.85Å
166	T	50.5	Low	58.7	Low	33 Å²	33	71.6 Å²	71.6	20%	0.202	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-64.8	123.7	165.7	5.3	0	0	0	0	108.9	V59 H105	V59-T166 WeakPolarHBondContact CG1-O 3.49Å; H105-T166 WeakPolarHBondContact O-CA 3.18Å
167	F	54.6	Low	61.4	Low	79 Å²	79	69.1 Å²	69.1	35%	0.346	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.8	177	-75.4	-91.3	0	0	0	110.8	H105 Y107 D165	H105-F167 HydrophobicContact CB-CB 4.21Å; H105-F167 PolarHBondContact N-O 2.81Å; H105-F167 PolarHBondContact O-N 2.94Å; Y107-F167 AromaticContact CD2-CD2 3.97Å; Y107-F167 HydrophobicContact CD2-CD2 3.97Å; Y107-F167 AromaticContact CD2-CE2 3.92Å; Y107-F167 HydrophobicContact CD2-CE2 3.92Å; Y107-F167 HydrophobicContact CE2-CE2 4.36Å; D165-F167 HydrophobicContact CB-CE2 4.5Å; D165-F167 VanDerWaalsContact O-CD2 3.27Å; D165-F167 WeakPolarHBondContact O-CD2 3.36Å; D165-F167 PolarHBondContact O-N 2.85Å
168	V	62	Low	63.9	Low	20 Å²	20	64.2 Å²	64.2	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.5	179.1	179.2	0	0	0	0	109.8	L56 V59 F61 L102 C103 L104	L56-V168 HydrophobicContact CD1-CG1 4.32Å; L56-V168 HydrophobicContact CD1-CG2 4.04Å; V59-V168 HydrophobicContact CB-CG2 4.36Å; V59-V168 HydrophobicContact CG1-CB 4.04Å; V59-V168 HydrophobicContact CG1-CG2 3.88Å; V59-V168 HydrophobicContact CG2-CB 4.45Å; V59-V168 HydrophobicContact CG2-CG2 3.61Å; F61-V168 HydrophobicContact CE1-CB 3.77Å; F61-V168 HydrophobicContact CE1-CG1 3.77Å; F61-V168 HydrophobicContact CZ-CB 3.67Å; F61-V168 HydrophobicContact CZ-CG1 3.6Å; F61-V168 HydrophobicContact CZ-CG2 4.37Å; L102-V168 HydrophobicContact CD1-CG1 3.93Å; L102-V168 HydrophobicContact CD2-CG1 3.41Å; L102-V168 VanDerWaalsContact CD2-CG1 3.41Å; L102-V168 HydrophobicContact CG-CG1 3.52Å; C103-V168 WeakPolarHBondContact O-CA 3.3Å; L104-V168 HydrophobicContact CD2-CG2 3.5Å; L104-V168 VanDerWaalsContact CD2-CG2 3.5Å
169	H	66.7	Low	66.1	Low	16 Å²	16	62.3 Å²	62.3	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.1	171.2	74.6	-90.4	0	0	0	111	C103 H105 C147	C103-H169 WeakPolarHBondContact CB-CE1 3.44Å; C103-H169 WeakPolarHBondContact CB-NE2 3.22Å; C103-H169 PolarHBondContact N-O 2.79Å; C103-H169 PolarHBondContact O-N 3.28Å; C103-H169 VanDerWaalsContact O-N 3.1Å; H105-H169 AromaticContact CD2-CE1 3.66Å; H105-H169 AromaticContact CD2-ND1 3.35Å; H105-H169 PolarHBondContact CD2-ND1 3.23Å; H105-H169 AromaticContact NE2-CE1 3.1Å; H105-H169 PolarHBondContact NE2-CE1 2.99Å; H105-H169 AromaticContact NE2-ND1 3.29Å; H105-H169 PolarHBondContact NE2-ND1 3.44Å; C147-H169 PolarHBondContact O-CE1 3.15Å; C147-H169 VanDerWaalsContact O-CE1 3.24Å; C147-H169 PolarHBondContact O-NE2 2.98Å
170	L	72.3	Confident	68.3	Low	18 Å²	18	58 Å²	58	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.3	-177.1	-61.6	171.6	0	0	0	109.7	L78 A81 Q100 Q101 L102	L78-L170 HydrophobicContact CD2-CD1 3.98Å; A81-L170 HydrophobicContact CB-CD2 4.24Å; Q100-L170 HydrophobicContact CG-CB 4.34Å; Q100-L170 HydrophobicContact CG-CD1 4.44Å; Q100-L170 HydrophobicContact CG-CD2 4.13Å; Q101-L170 WeakPolarHBondContact O-CA 3.42Å; L102-L170 HydrophobicContact CB-CD2 4.45Å; L102-L170 HydrophobicContact CD1-CD2 3.88Å; L102-L170 HydrophobicContact CG-CD2 4.16Å
171	I	75.4	Confident	70.2	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.4	171.8	-60.8	177.6	0	0	0	108.3	Q100 Q101 C103 W146 N150 Y173	Q100-I171 WeakPolarHBondContact CA-O 3.47Å; Q101-I171 PolarHBondContact N-O 3.36Å; Q101-I171 PolarHBondContact O-N 3.46Å; C103-I171 WeakPolarHBondContact SG-CD1 3.22Å; W146-I171 HydrophobicContact CH2-CG2 4.28Å; W146-I171 HydrophobicContact CZ2-CD1 4.27Å; W146-I171 HydrophobicContact CZ2-CG2 3.91Å; N150-I171 HydrophobicContact CB-CD1 4.36Å; N150-I171 HydrophobicContact CB-CG1 4.23Å; N150-I171 WeakPolarHBondContact ND2-CG2 3.42Å; I171-Y173 HydrophobicContact CG2-CD1 4.26Å
172	H	79.8	Confident	71.7	Confident	47 Å²	47	54.9 Å²	54.9	22%	0.218	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.2	176.1	-64.1	85.7	0	0	0	110.4	I99 Q100	I99-H172 WeakPolarHBondContact O-CA 3.12Å; Q100-H172 WeakPolarHBondContact CG-NE2 3.34Å; Q100-H172 PolarHBondContact OE1-NE2 2.77Å
173	Y	81.8	Confident	72.8	Confident	6 Å²	6	57.2 Å²	57.2	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.1	173.1	58.5	-86.5	0	0	0	110.2	I99 Q101 F135 L138 W146 I171 I175	I99-Y173 HydrophobicContact CB-CD1 4.29Å; I99-Y173 HydrophobicContact CB-CD2 4.01Å; I99-Y173 HydrophobicContact CB-CE1 3.9Å; I99-Y173 HydrophobicContact CB-CE2 3.58Å; I99-Y173 HydrophobicContact CB-CG 4.35Å; I99-Y173 HydrophobicContact CG1-CD2 4.13Å; I99-Y173 HydrophobicContact CG1-CE2 3.59Å; I99-Y173 HydrophobicContact CG2-CE1 3.77Å; I99-Y173 HydrophobicContact CG2-CE2 3.99Å; I99-Y173 VanDerWaalsContact CG2-CZ 3.42Å; I99-Y173 VanDerWaalsContact CG2-OH 3.27Å; I99-Y173 WeakPolarHBondContact CG2-OH 3.24Å; I99-Y173 PolarHBondContact N-O 2.96Å; I99-Y173 PolarHBondContact O-N 2.79Å; I99-Y173 VanDerWaalsContact O-N 3.13Å; Q101-Y173 HydrophobicContact CB-CE1 4.17Å; F135-Y173 AromaticContact CD2-CE2 3.99Å; F135-Y173 HydrophobicContact CD2-CE2 3.99Å; F135-Y173 WeakPolarHBondContact CD2-OH 3.28Å; F135-Y173 HydrophobicContact CE2-CE2 4.37Å; L138-Y173 HydrophobicContact CD1-CD2 4.28Å; L138-Y173 HydrophobicContact CD1-CE1 4.28Å; L138-Y173 HydrophobicContact CD1-CE2 3.82Å; W146-Y173 HydrophobicContact CH2-CD1 4.17Å; W146-Y173 HydrophobicContact CH2-CE1 4.29Å; W146-Y173 HydrophobicContact CZ2-CD1 4.19Å; W146-Y173 AromaticContact CZ2-CE1 3.99Å; W146-Y173 HydrophobicContact CZ2-CE1 3.99Å; I171-Y173 HydrophobicContact CG2-CD1 4.26Å; Y173-I175 HydrophobicContact CD2-CG1 4.47Å; Y173-I175 HydrophobicContact CE2-CD1 4.41Å; Y173-I175 HydrophobicContact CE2-CG1 4.37Å
174	S	87.4	Confident	74	Confident	12 Å²	12	62.7 Å²	62.7	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	-179.2	55.3	0	0	0	0	112.1	L97 D193	L97-S174 WeakPolarHBondContact O-CA 3.09Å; S174-D193 PolarHBondContact O-N 2.77Å
175	I	91.8	Very high	75.2	Confident	0 Å²	0	60 Å²	60	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.3	171	-56.2	174.5	0	0	0	107.2	F36 L96 L97 I99 F135 Y173 V190 Q191 L192 L204	F36-I175 HydrophobicContact CZ-CG2 4.33Å; L96-I175 CarbonylContact C-O 3.53Å; L96-I175 WeakPolarHBondContact CA-O 3.26Å; L97-I175 HydrophobicContact CB-CB 4.26Å; L97-I175 PolarHBondContact N-O 2.65Å; L97-I175 PolarHBondContact O-N 3.05Å; I99-I175 HydrophobicContact CD1-CD1 4.13Å; I99-I175 HydrophobicContact CG1-CD1 3.8Å; I99-I175 HydrophobicContact CG1-CG1 4.16Å; F135-I175 HydrophobicContact CD1-CD1 4.18Å; F135-I175 HydrophobicContact CD2-CD1 3.86Å; F135-I175 HydrophobicContact CE1-CD1 3.8Å; F135-I175 HydrophobicContact CE2-CD1 3.45Å; F135-I175 VanDerWaalsContact CE2-CD1 3.45Å; F135-I175 HydrophobicContact CG-CD1 4.21Å; F135-I175 HydrophobicContact CZ-CD1 3.41Å; F135-I175 VanDerWaalsContact CZ-CD1 3.41Å; Y173-I175 HydrophobicContact CD2-CG1 4.47Å; Y173-I175 HydrophobicContact CE2-CD1 4.41Å; Y173-I175 HydrophobicContact CE2-CG1 4.37Å; I175-V190 HydrophobicContact CG2-CB 3.54Å; I175-V190 HydrophobicContact CG2-CG1 3.97Å; I175-V190 HydrophobicContact CG2-CG2 3.61Å; I175-Q191 WeakPolarHBondContact CA-O 3.47Å; I175-L192 HydrophobicContact CD1-CD2 4.39Å; I175-L192 HydrophobicContact CG1-CD2 4.1Å; I175-L192 HydrophobicContact CG1-CG 4.42Å; I175-L204 HydrophobicContact CG2-CD1 4.2Å
176	R	92	Very high	77.2	Confident	122 Å²	122	61.2 Å²	61.2	46%	0.46	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.5	-179.3	-176.4	174.7	170	176.7	-7.7	110.6	L96 E178 V190 Q191	L96-R176 HydrophobicContact CD2-CB 3.78Å; L96-R176 HydrophobicContact CD2-CG 4.11Å; R176-E178 VanDerWaalsContact CD-OE1 3.25Å; R176-E178 WeakPolarHBondContact CD-OE1 3.23Å; R176-E178 IonicContact CZ-OE1 3.76Å; R176-E178 IonicContact NE-OE1 2.77Å; R176-E178 PolarHBondContact NE-OE1 3.15Å; R176-E178 IonicContact NH2-OE1 3.23Å; R176-E178 PolarHBondContact O-N 3.19Å; R176-V190 CarbonylContact O-C 3.56Å; R176-V190 WeakPolarHBondContact O-CA 3.5Å; R176-V190 WeakPolarHBondContact O-CB 3.48Å; R176-Q191 HydrophobicContact CB-CB 4.41Å; R176-Q191 PolarHBondContact N-O 3.34Å; R176-Q191 PolarHBondContact O-N 2.96Å
177	C	92.6	Very high	79.1	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.6	170.4	-162.5	0	0	0	0	108.7	C34 Q35 F36 D95	C34-C177 HydrophobicContact CB-CB 3.72Å; C34-C177 WeakPolarHBondContact CB-O 3.15Å; C34-C177 WeakPolarHBondContact CB-SG 3.19Å; C34-C177 WeakPolarHBondContact O-CB 3.27Å; C34-C177 WeakPolarHBondContact SG-CB 3.09Å; C34-C177 CovalentContact SG-SG 2.03Å; C34-C177 PolarHBondContact SG-SG 3.45Å; Q35-C177 PolarHBondContact N-SG 2.95Å; Q35-C177 VanDerWaalsContact N-SG 3.41Å; F36-C177 HydrophobicContact CD2-CB 4.07Å; F36-C177 HydrophobicContact CE1-CB 4.28Å; F36-C177 HydrophobicContact CE2-CB 3.66Å; F36-C177 HydrophobicContact CZ-CB 3.78Å; D95-C177 WeakPolarHBondContact O-CB 3.49Å; D95-C177 PolarHBondContact O-N 3.2Å
178	E	90.9	Very high	80.9	Confident	60 Å²	60	56.4 Å²	56.4	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-49.4	177.1	-75.6	-64.7	134.4	0	0	110.9	C34 R176 I189 Q191 Y201	C34-E178 WeakPolarHBondContact CB-O 3.27Å; C34-E178 VanDerWaalsContact SG-C 3.54Å; R176-E178 VanDerWaalsContact CD-OE1 3.25Å; R176-E178 WeakPolarHBondContact CD-OE1 3.23Å; R176-E178 IonicContact CZ-OE1 3.76Å; R176-E178 IonicContact NE-OE1 2.77Å; R176-E178 PolarHBondContact NE-OE1 3.15Å; R176-E178 IonicContact NH2-OE1 3.23Å; R176-E178 PolarHBondContact O-N 3.19Å; E178-I189 PolarHBondContact N-O 2.85Å; E178-I189 VanDerWaalsContact N-O 3.09Å; E178-Q191 HydrophobicContact CG-CB 3.6Å; E178-Q191 PolarHBondContact OE1-OE1 2.02Å; E178-Y201 HydrophobicContact CG-CD1 4.49Å; E178-Y201 HydrophobicContact CG-CE1 3.96Å
179	R	87.8	Confident	82.4	Confident	143 Å²	143	55.6 Å²	55.6	54%	0.54	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.8	180	-152.7	169.6	-174.6	-163.4	-10	113	C34 I181 F188 I189 E232	C34-R179 PolarHBondContact SG-N 3.48Å; R179-I181 HydrophobicContact CB-CD1 4.45Å; R179-I181 HydrophobicContact CG-CD1 4.39Å; R179-F188 CarbonylContact O-C 3.56Å; R179-F188 WeakPolarHBondContact O-CA 3.42Å; R179-I189 HydrophobicContact CB-CB 4.35Å; R179-I189 PolarHBondContact N-O 3.14Å; R179-I189 VanDerWaalsContact N-O 3.11Å; R179-I189 PolarHBondContact O-N 3.41Å; R179-E232 IonicContact CZ-OE1 3.09Å; R179-E232 IonicContact NE-OE1 2.86Å; R179-E232 IonicContact NH1-OE1 2.62Å; R179-E232 PolarHBondContact NH1-OE1 3.07Å; R179-E232 IonicContact NH2-OE1 3.5Å; R179-E232 PolarHBondContact NH2-OE1 2.8Å
180	I	85.3	Confident	83.7	Confident	34 Å²	34	54.8 Å²	54.8	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.5	174.2	-48.5	-176.4	0	0	0	107.3	C34 E38 R183 F188	C34-I180 HydrophobicContact CB-CG1 4.33Å; C34-I180 WeakPolarHBondContact SG-CG1 3.26Å; E38-I180 HydrophobicContact CB-CD1 4.38Å; E38-I180 HydrophobicContact CG-CD1 3.88Å; E38-I180 VanDerWaalsContact OE1-CD1 3.31Å; E38-I180 WeakPolarHBondContact OE1-CD1 3.45Å; E38-I180 WeakPolarHBondContact OE2-CD1 3.47Å; I180-R183 HydrophobicContact CG2-CG 3.86Å; I180-F188 HydrophobicContact CB-CD1 4.39Å; I180-F188 HydrophobicContact CB-CE1 4.48Å; I180-F188 HydrophobicContact CD1-CD1 4.35Å; I180-F188 HydrophobicContact CD1-CE1 3.85Å; I180-F188 HydrophobicContact CG1-CD1 3.77Å; I180-F188 HydrophobicContact CG1-CE1 3.76Å; I180-F188 HydrophobicContact CG2-CD1 4.33Å; I180-F188 HydrophobicContact CG2-CE1 4.14Å
181	I	83.1	Confident	84.7	Confident	35 Å²	35	55.2 Å²	55.2	18%	0.179	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-53.1	-176.4	-53.4	-54.7	0	0	0	109.8	R179 K187 I189 E232 C235	R179-I181 HydrophobicContact CB-CD1 4.45Å; R179-I181 HydrophobicContact CG-CD1 4.39Å; I181-K187 PolarHBondContact N-O 2.95Å; I181-I189 HydrophobicContact CD1-CG1 3.79Å; I181-I189 HydrophobicContact CG1-CG1 3.82Å; I181-E232 HydrophobicContact CD1-CB 4.26Å; I181-E232 HydrophobicContact CD1-CG 3.74Å; I181-C235 HydrophobicContact CB-CB 4.49Å; I181-C235 HydrophobicContact CG1-CB 4.2Å; I181-C235 HydrophobicContact CG2-CB 4.44Å
182	Y	74.3	Confident	85.3	Confident	133 Å²	133	55 Å²	55	52%	0.522	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	100.1	-178.4	-77.8	-72.8	0	0	0	111.5	K184 H185 Y186 K187	Y182-K184 VanDerWaalsContact C-N 3.3Å; Y182-K184 PolarHBondContact O-N 3.49Å; Y182-H185 CarbonylContact O-C 3.4Å; Y182-H185 PolarHBondContact O-N 2.86Å; Y182-H185 VanDerWaalsContact O-N 3.08Å; Y182-Y186 PolarHBondContact O-N 3.17Å; Y182-K187 HydrophobicContact CD2-CD 4.38Å; Y182-K187 PolarHBondContact O-N 3.26Å
183	R	67.2	Low	85.1	Confident	154 Å²	154	56.7 Å²	56.7	58%	0.581	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-55.7	-38.6	178.5	-77.3	-172.7	164	155.4	-0.4	114.3	E38 I180 H185 Y186	E38-R183 IonicContact OE1-CZ 2.73Å; E38-R183 IonicContact OE1-NE 3.74Å; E38-R183 PolarHBondContact OE1-NE 3.47Å; E38-R183 IonicContact OE1-NH2 3.22Å; E38-R183 PolarHBondContact OE1-NH2 3.11Å; E38-R183 WeakPolarHBondContact OE2-CD 3.41Å; E38-R183 WeakPolarHBondContact OE2-CG 3.39Å; E38-R183 IonicContact OE2-CZ 3.85Å; E38-R183 IonicContact OE2-NE 2.71Å; E38-R183 PolarHBondContact OE2-NE 3.5Å; E38-R183 IonicContact OE2-NH2 2.82Å; I180-R183 HydrophobicContact CG2-CG 3.86Å; R183-H185 VanDerWaalsContact C-N 3.26Å; R183-H185 PolarHBondContact O-N 2.78Å; R183-Y186 WeakPolarHBondContact O-CD1 3.29Å; R183-Y186 WeakPolarHBondContact O-CE1 3.48Å; R183-Y186 PolarHBondContact O-N 3.1Å
184	K	67.7	Low	84.4	Confident	188 Å²	188	57.3 Å²	57.3	82%	0.817	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-66	-30.8	179.3	-74.9	-173.8	178.4	178.9	0	113	Y182	Y182-K184 VanDerWaalsContact C-N 3.3Å; Y182-K184 PolarHBondContact O-N 3.49Å
185	H	70.8	Confident	82.9	Confident	96 Å²	96	60.6 Å²	60.6	44%	0.444	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-106.2	5.2	-179.3	-62.2	-61	0	0	0	111.9	Y182 R183 K187 Y205	Y182-H185 CarbonylContact O-C 3.4Å; Y182-H185 PolarHBondContact O-N 2.86Å; Y182-H185 VanDerWaalsContact O-N 3.08Å; R183-H185 VanDerWaalsContact C-N 3.26Å; R183-H185 PolarHBondContact O-N 2.78Å; H185-K187 HydrophobicContact CB-CG 4.16Å; H185-K187 PolarHBondContact O-N 2.79Å; H185-K187 VanDerWaalsContact O-N 3.13Å; H185-Y205 HydrophobicContact CB-CE2 4.37Å; H185-Y205 WeakPolarHBondContact O-CD2 3.32Å; H185-Y205 WeakPolarHBondContact O-CE2 3.05Å
186	Y	87.4	Confident	81.2	Confident	77 Å²	77	67 Å²	67	30%	0.302	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	46.5	179.4	-51.3	-68.2	0	0	0	112.8	E38 Y39 Y182 R183 F188 F206	E38-Y186 WeakPolarHBondContact O-CE1 3.08Å; Y39-Y186 AromaticContact CD2-CD1 3.7Å; Y39-Y186 HydrophobicContact CD2-CD1 3.7Å; Y39-Y186 AromaticContact CD2-CD2 3.41Å; Y39-Y186 HydrophobicContact CD2-CD2 3.41Å; Y39-Y186 VanDerWaalsContact CD2-CD2 3.41Å; Y39-Y186 AromaticContact CD2-CE1 3.94Å; Y39-Y186 HydrophobicContact CD2-CE1 3.94Å; Y39-Y186 AromaticContact CD2-CE2 3.66Å; Y39-Y186 HydrophobicContact CD2-CE2 3.66Å; Y39-Y186 AromaticContact CD2-CG 3.42Å; Y39-Y186 HydrophobicContact CD2-CG 3.42Å; Y39-Y186 VanDerWaalsContact CD2-CG 3.42Å; Y39-Y186 AromaticContact CD2-CZ 3.91Å; Y39-Y186 AromaticContact CE2-CD2 3.68Å; Y39-Y186 HydrophobicContact CE2-CD2 3.68Å; Y39-Y186 AromaticContact CE2-CE2 3.92Å; Y39-Y186 HydrophobicContact CE2-CE2 3.92Å; Y39-Y186 HydrophobicContact CE2-CG 4.11Å; Y39-Y186 HydrophobicContact CG-CD1 4.29Å; Y39-Y186 HydrophobicContact CG-CG 4.24Å; Y182-Y186 PolarHBondContact O-N 3.17Å; R183-Y186 WeakPolarHBondContact O-CD1 3.29Å; R183-Y186 WeakPolarHBondContact O-CE1 3.48Å; R183-Y186 PolarHBondContact O-N 3.1Å; Y186-F188 VanDerWaalsContact C-CE2 3.47Å; Y186-F188 WeakPolarHBondContact O-CD2 3.37Å; Y186-F188 WeakPolarHBondContact O-CE2 3.42Å; Y186-F206 PolarHBondContact O-N 3.24Å; Y186-F206 VanDerWaalsContact O-N 3.15Å
187	K	91	Very high	79.6	Confident	11 Å²	11	62.6 Å²	62.6	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.4	173	-66.7	-171.6	178.5	-179.7	0	109.5	I181 Y182 H185 L204 Y205 C235 D237	I181-K187 PolarHBondContact N-O 2.95Å; Y182-K187 HydrophobicContact CD2-CD 4.38Å; Y182-K187 PolarHBondContact O-N 3.26Å; H185-K187 HydrophobicContact CB-CG 4.16Å; H185-K187 PolarHBondContact O-N 2.79Å; H185-K187 VanDerWaalsContact O-N 3.13Å; K187-L204 CarbonylContact C-O 3.58Å; K187-L204 WeakPolarHBondContact CA-O 2.87Å; K187-Y205 HydrophobicContact CG-CD2 4.19Å; K187-Y205 HydrophobicContact CG-CG 4.19Å; K187-C235 HydrophobicContact CD-CB 4.33Å; K187-C235 PolarHBondContact NZ-O 2.84Å; K187-D237 IonicContact NZ-OD1 3.8Å; K187-D237 PolarHBondContact NZ-OD1 3.34Å
188	F	92.5	Very high	78.3	Confident	1 Å²	1	64.5 Å²	64.5	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	-175.7	-58	-94.1	0	0	0	110	F36 R179 I180 Y186 V190 C203 L204 F206	F36-F188 HydrophobicContact CD1-CD1 4.48Å; F36-F188 HydrophobicContact CE1-CG 4.42Å; R179-F188 CarbonylContact O-C 3.56Å; R179-F188 WeakPolarHBondContact O-CA 3.42Å; I180-F188 HydrophobicContact CB-CD1 4.39Å; I180-F188 HydrophobicContact CB-CE1 4.48Å; I180-F188 HydrophobicContact CD1-CD1 4.35Å; I180-F188 HydrophobicContact CD1-CE1 3.85Å; I180-F188 HydrophobicContact CG1-CD1 3.77Å; I180-F188 HydrophobicContact CG1-CE1 3.76Å; I180-F188 HydrophobicContact CG2-CD1 4.33Å; I180-F188 HydrophobicContact CG2-CE1 4.14Å; Y186-F188 VanDerWaalsContact C-CE2 3.47Å; Y186-F188 WeakPolarHBondContact O-CD2 3.37Å; Y186-F188 WeakPolarHBondContact O-CE2 3.42Å; F188-V190 HydrophobicContact CB-CG1 3.98Å; F188-C203 CarbonylContact O-C 3.52Å; F188-C203 WeakPolarHBondContact O-CA 3.44Å; F188-L204 PolarHBondContact N-O 2.68Å; F188-L204 PolarHBondContact O-N 2.83Å; F188-F206 AromaticContact CD2-CD2 3.53Å; F188-F206 HydrophobicContact CD2-CD2 3.53Å; F188-F206 AromaticContact CD2-CE2 3.61Å; F188-F206 HydrophobicContact CD2-CE2 3.61Å; F188-F206 AromaticContact CE2-CD2 3.58Å; F188-F206 HydrophobicContact CE2-CD2 3.58Å; F188-F206 AromaticContact CE2-CE2 3.95Å; F188-F206 HydrophobicContact CE2-CE2 3.95Å; F188-F206 HydrophobicContact CE2-CG 4.47Å; F188-F206 HydrophobicContact CG-CE2 4.48Å
189	I	93	Very high	77.8	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.4	157.4	-65.3	-65	0	0	0	106.8	E178 R179 I181 Y201 C203 P230 D231 L234 C235	E178-I189 PolarHBondContact N-O 2.85Å; E178-I189 VanDerWaalsContact N-O 3.09Å; R179-I189 HydrophobicContact CB-CB 4.35Å; R179-I189 PolarHBondContact N-O 3.14Å; R179-I189 VanDerWaalsContact N-O 3.11Å; R179-I189 PolarHBondContact O-N 3.41Å; I181-I189 HydrophobicContact CD1-CG1 3.79Å; I181-I189 HydrophobicContact CG1-CG1 3.82Å; I189-Y201 HydrophobicContact CG2-CD1 4.07Å; I189-C203 HydrophobicContact CD1-CB 4.14Å; I189-P230 HydrophobicContact CG2-CB 4.06Å; I189-D231 VanDerWaalsContact CD1-O 3.23Å; I189-D231 WeakPolarHBondContact CD1-O 3.43Å; I189-L234 HydrophobicContact CD1-CB 4.03Å; I189-L234 HydrophobicContact CD1-CD1 4.36Å; I189-C235 WeakPolarHBondContact CD1-SG 3.44Å
190	V	93.7	Very high	77.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.9	-179	-57.6	0	0	0	0	110.7	F36 I175 R176 F188 Y201 Q202 L204	F36-V190 HydrophobicContact CE1-CG1 3.93Å; F36-V190 HydrophobicContact CZ-CG1 3.83Å; I175-V190 HydrophobicContact CG2-CB 3.54Å; I175-V190 HydrophobicContact CG2-CG1 3.97Å; I175-V190 HydrophobicContact CG2-CG2 3.61Å; R176-V190 CarbonylContact O-C 3.56Å; R176-V190 WeakPolarHBondContact O-CA 3.5Å; R176-V190 WeakPolarHBondContact O-CB 3.48Å; F188-V190 HydrophobicContact CB-CG1 3.98Å; V190-Y201 VanDerWaalsContact O-CA 3.26Å; V190-Y201 WeakPolarHBondContact O-CA 3.43Å; V190-Q202 HydrophobicContact CG2-CB 4.35Å; V190-Q202 WeakPolarHBondContact CG2-O 3.3Å; V190-Q202 PolarHBondContact N-O 3.45Å; V190-Q202 PolarHBondContact O-N 3.21Å; V190-L204 HydrophobicContact CB-CD1 4.45Å; V190-L204 HydrophobicContact CG1-CB 4.42Å; V190-L204 HydrophobicContact CG1-CD1 3.94Å; V190-L204 HydrophobicContact CG1-CG 4.16Å; V190-L204 HydrophobicContact CG2-CD1 3.77Å; V190-L204 HydrophobicContact CG2-CG 3.71Å
191	Q	92.4	Very high	78.1	Confident	27 Å²	27	57.1 Å²	57.1	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.5	169.4	173.8	-179	-17.1	0	0	109	I175 R176 E178 P199 V200 Y201	I175-Q191 WeakPolarHBondContact CA-O 3.47Å; R176-Q191 HydrophobicContact CB-CB 4.41Å; R176-Q191 PolarHBondContact N-O 3.34Å; R176-Q191 PolarHBondContact O-N 2.96Å; E178-Q191 HydrophobicContact CG-CB 3.6Å; E178-Q191 PolarHBondContact OE1-OE1 2.02Å; Q191-P199 HydrophobicContact CG-CB 3.76Å; Q191-V200 WeakPolarHBondContact CA-O 3.36Å; Q191-Y201 HydrophobicContact CB-CD1 4.2Å; Q191-Y201 HydrophobicContact CB-CE1 3.9Å; Q191-Y201 HydrophobicContact CG-CE1 4.37Å
192	L	88.2	Confident	78.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.4	168.3	-64	111	0	0	0	108.5	F135 L138 I175 V200 Q202	F135-L192 HydrophobicContact CB-CD2 3.81Å; F135-L192 HydrophobicContact CG-CD2 4.21Å; L138-L192 HydrophobicContact CD1-CD2 4.28Å; L138-L192 HydrophobicContact CD2-CB 4.19Å; L138-L192 HydrophobicContact CD2-CD2 3.88Å; L138-L192 HydrophobicContact CG-CD2 4.01Å; I175-L192 HydrophobicContact CD1-CD2 4.39Å; I175-L192 HydrophobicContact CG1-CD2 4.1Å; I175-L192 HydrophobicContact CG1-CG 4.42Å; L192-V200 PolarHBondContact N-O 3.49Å; L192-V200 PolarHBondContact O-N 2.74Å; L192-Q202 HydrophobicContact CD1-CB 3.77Å
193	D	76.6	Confident	79.4	Confident	83 Å²	83	49.1 Å²	49.1	44%	0.444	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118	-179.6	-146.5	6.2	0	0	0	109.5	S174	S174-D193 PolarHBondContact O-N 2.77Å
194	L	65.8	Low	80.7	Confident	20 Å²	20	41.9 Å²	41.9	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.5	-173.3	-80.5	149.5	0	0	0	110.2	L138 F141 W146 N196 S197	L138-L194 HydrophobicContact CD2-CD1 3.55Å; L138-L194 HydrophobicContact CD2-CD2 3.69Å; L138-L194 HydrophobicContact CD2-CG 3.78Å; F141-L194 HydrophobicContact CE2-CD1 4.43Å; W146-L194 HydrophobicContact CH2-CD2 4.17Å; W146-L194 HydrophobicContact CZ3-CD2 3.76Å; L194-N196 PolarHBondContact O-N 2.82Å; L194-S197 WeakPolarHBondContact CB-OG 3.3Å; L194-S197 WeakPolarHBondContact CD1-OG 3.27Å
195	P	56.1	Low	81.8	Confident	80 Å²	80	35.4 Å²	35.4	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.5	-176.8	-24.3	33	0	0	0	115.2
196	N	56.2	Low	82.8	Confident	136 Å²	136	30.9 Å²	30.9	73%	0.727	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.5	11.3	-171	-67.1	-40.7	0	0	0	114.6	L194	L194-N196 PolarHBondContact O-N 2.82Å
197	S	58	Low	82.9	Confident	28 Å²	28	31.1 Å²	31.1	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.3	179.6	46.2	0	0	0	0	109.7	L194	L194-S197 WeakPolarHBondContact CB-OG 3.3Å; L194-S197 WeakPolarHBondContact CD1-OG 3.27Å
198	G	67	Low	82.8	Confident	47 Å²	47	32.1 Å²	32.1	49%	0.485	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	165.4	-179.7	0	0	0	0	0	112.9	V200	G198-V200 PolarHBondContact O-N 3.29Å
199	P	79.5	Confident	82.6	Confident	52 Å²	52	33.5 Å²	33.5	34%	0.338	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.1	-175.1	27.3	-35.3	0	0	0	111.5	Q191 Y201	Q191-P199 HydrophobicContact CG-CB 3.76Å; P199-Y201 HydrophobicContact CB-CE2 4.15Å; P199-Y201 HydrophobicContact CG-CE2 4.39Å
200	V	88.2	Confident	82.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.1	172.9	176.3	0	0	0	0	110.4	F141 Q191 L192 G198 V226 L228	F141-V200 HydrophobicContact CE2-CB 4.46Å; F141-V200 HydrophobicContact CE2-CG2 3.25Å; F141-V200 HydrophobicContact CZ-CG2 3.28Å; Q191-V200 WeakPolarHBondContact CA-O 3.36Å; L192-V200 PolarHBondContact N-O 3.49Å; L192-V200 PolarHBondContact O-N 2.74Å; G198-V200 PolarHBondContact O-N 3.29Å; V200-V226 HydrophobicContact CG1-CB 3.81Å; V200-V226 HydrophobicContact CG1-CG1 4.42Å; V200-V226 HydrophobicContact CG1-CG2 4.23Å; V200-L228 HydrophobicContact CG2-CD2 4.26Å
201	Y	91	Very high	81.3	Confident	28 Å²	28	43.3 Å²	43.3	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.7	-178.1	-61.3	-94.8	0	0	0	110.3	E178 I189 V190 Q191 P199 V226 S227 L228 H229 P230	E178-Y201 HydrophobicContact CG-CD1 4.49Å; E178-Y201 HydrophobicContact CG-CE1 3.96Å; I189-Y201 HydrophobicContact CG2-CD1 4.07Å; V190-Y201 VanDerWaalsContact O-CA 3.26Å; V190-Y201 WeakPolarHBondContact O-CA 3.43Å; Q191-Y201 HydrophobicContact CB-CD1 4.2Å; Q191-Y201 HydrophobicContact CB-CE1 3.9Å; Q191-Y201 HydrophobicContact CG-CE1 4.37Å; P199-Y201 HydrophobicContact CB-CE2 4.15Å; P199-Y201 HydrophobicContact CG-CE2 4.39Å; Y201-V226 WeakPolarHBondContact O-CA 3.5Å; Y201-S227 PolarHBondContact N-O 2.93Å; Y201-S227 PolarHBondContact O-N 3.41Å; Y201-L228 WeakPolarHBondContact CE2-O 3Å; Y201-H229 VanDerWaalsContact CD2-C 3.41Å; Y201-P230 HydrophobicContact CD1-CB 3.74Å; Y201-P230 HydrophobicContact CD1-CG 4.43Å; Y201-P230 HydrophobicContact CE1-CB 3.84Å; Y201-P230 HydrophobicContact CE1-CG 4.1Å; Y201-P230 HydrophobicContact CG-CB 4.34Å
202	Q	92	Very high	80.6	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.3	179.6	-164	-179.7	14	0	0	109.5	V190 L192 S223 V226	V190-Q202 HydrophobicContact CG2-CB 4.35Å; V190-Q202 WeakPolarHBondContact CG2-O 3.3Å; V190-Q202 PolarHBondContact N-O 3.45Å; V190-Q202 PolarHBondContact O-N 3.21Å; L192-Q202 HydrophobicContact CD1-CB 3.77Å; Q202-S223 VanDerWaalsContact CG-OG 3.23Å; Q202-S223 WeakPolarHBondContact CG-OG 3.39Å; Q202-S223 PolarHBondContact NE2-O 3.04Å; Q202-V226 HydrophobicContact CG-CG1 4.29Å
203	C	93.5	Very high	79.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.1	169.6	-173.2	0	0	0	0	110.8	F188 I189 Q222 S223 L234 C235 F241	F188-C203 CarbonylContact O-C 3.52Å; F188-C203 WeakPolarHBondContact O-CA 3.44Å; I189-C203 HydrophobicContact CD1-CB 4.14Å; C203-Q222 WeakPolarHBondContact O-CA 3.42Å; C203-S223 PolarHBondContact N-OG 2.89Å; C203-S223 PolarHBondContact O-N 3.17Å; C203-L234 HydrophobicContact CB-CB 3.95Å; C203-L234 VanDerWaalsContact CB-O 3.22Å; C203-L234 WeakPolarHBondContact CB-O 3.11Å; C203-C235 HydrophobicContact CB-CB 4.04Å; C203-C235 WeakPolarHBondContact CB-SG 3.38Å; C203-C235 WeakPolarHBondContact SG-CA 3.22Å; C203-C235 WeakPolarHBondContact SG-CB 3.36Å; C203-C235 CovalentContact SG-SG 2.03Å; C203-C235 PolarHBondContact SG-SG 2.8Å; C203-F241 HydrophobicContact CB-CE1 4.12Å; C203-F241 HydrophobicContact CB-CZ 4.49Å
204	L	93.8	Very high	79.6	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.9	169.1	-61.5	-173.9	0	0	0	111	F135 I175 K187 F188 V190 F206 I220 L221 Q222	F135-L204 HydrophobicContact CD1-CD2 4Å; F135-L204 HydrophobicContact CE1-CD1 4.08Å; F135-L204 HydrophobicContact CE1-CD2 3.9Å; I175-L204 HydrophobicContact CG2-CD1 4.2Å; K187-L204 CarbonylContact C-O 3.58Å; K187-L204 WeakPolarHBondContact CA-O 2.87Å; F188-L204 PolarHBondContact N-O 2.68Å; F188-L204 PolarHBondContact O-N 2.83Å; V190-L204 HydrophobicContact CB-CD1 4.45Å; V190-L204 HydrophobicContact CG1-CB 4.42Å; V190-L204 HydrophobicContact CG1-CD1 3.94Å; V190-L204 HydrophobicContact CG1-CG 4.16Å; V190-L204 HydrophobicContact CG2-CD1 3.77Å; V190-L204 HydrophobicContact CG2-CG 3.71Å; L204-F206 HydrophobicContact CB-CE2 3.81Å; L204-F206 HydrophobicContact CB-CZ 4.43Å; L204-F206 HydrophobicContact CD1-CE2 4.41Å; L204-F206 HydrophobicContact CD1-CZ 4.27Å; L204-I220 HydrophobicContact CB-CG2 4.37Å; L204-I220 HydrophobicContact CD1-CG2 4.4Å; L204-I220 HydrophobicContact CD2-CG2 4.01Å; L204-L221 CarbonylContact C-O 3.58Å; L204-L221 WeakPolarHBondContact CA-O 3.28Å; L204-Q222 HydrophobicContact CD2-CB 3.57Å
205	Y	91.4	Very high	80.1	Confident	52 Å²	52	50.4 Å²	50.4	20%	0.204	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.8	175.8	168.7	-151.2	0	0	0	109.9	H185 K187 Q207 L221	H185-Y205 HydrophobicContact CB-CE2 4.37Å; H185-Y205 WeakPolarHBondContact O-CD2 3.32Å; H185-Y205 WeakPolarHBondContact O-CE2 3.05Å; K187-Y205 HydrophobicContact CG-CD2 4.19Å; K187-Y205 HydrophobicContact CG-CG 4.19Å; Y205-Q207 HydrophobicContact CE2-CB 4.32Å; Y205-L221 HydrophobicContact CD1-CB 4.08Å; Y205-L221 HydrophobicContact CD1-CD1 3.38Å; Y205-L221 HydrophobicContact CD1-CG 4.33Å; Y205-L221 HydrophobicContact CE1-CD1 3.63Å; Y205-L221 HydrophobicContact CG-CB 4.35Å; Y205-L221 HydrophobicContact CG-CD1 4.27Å; Y205-L221 PolarHBondContact N-O 3.24Å; Y205-L221 PolarHBondContact O-N 3.05Å
206	F	91.9	Very high	81.4	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.6	-179	-64.9	-104.4	0	0	0	111.9	F36 Y39 L42 L97 Y186 F188 L204 I218 I220	F36-F206 HydrophobicContact CD1-CE2 4.19Å; F36-F206 HydrophobicContact CD1-CZ 4.07Å; F36-F206 HydrophobicContact CE1-CE2 4.15Å; F36-F206 HydrophobicContact CE1-CZ 4.08Å; Y39-F206 HydrophobicContact CD1-CB 4.04Å; Y39-F206 HydrophobicContact CD1-CD1 4.36Å; Y39-F206 HydrophobicContact CD1-CG 4.44Å; Y39-F206 HydrophobicContact CD2-CB 4.4Å; Y39-F206 HydrophobicContact CE1-CB 3.97Å; Y39-F206 HydrophobicContact CE1-CD1 4.46Å; Y39-F206 HydrophobicContact CE2-CB 4.3Å; Y39-F206 HydrophobicContact CG-CB 4.24Å; L42-F206 HydrophobicContact CD1-CD1 3.9Å; L42-F206 HydrophobicContact CD1-CE1 3.66Å; L42-F206 HydrophobicContact CD1-CZ 4.37Å; L97-F206 HydrophobicContact CD1-CZ 4.11Å; Y186-F206 PolarHBondContact O-N 3.24Å; Y186-F206 VanDerWaalsContact O-N 3.15Å; F188-F206 AromaticContact CD2-CD2 3.53Å; F188-F206 HydrophobicContact CD2-CD2 3.53Å; F188-F206 AromaticContact CD2-CE2 3.61Å; F188-F206 HydrophobicContact CD2-CE2 3.61Å; F188-F206 AromaticContact CE2-CD2 3.58Å; F188-F206 HydrophobicContact CE2-CD2 3.58Å; F188-F206 AromaticContact CE2-CE2 3.95Å; F188-F206 HydrophobicContact CE2-CE2 3.95Å; F188-F206 HydrophobicContact CE2-CG 4.47Å; F188-F206 HydrophobicContact CG-CE2 4.48Å; L204-F206 HydrophobicContact CB-CE2 3.81Å; L204-F206 HydrophobicContact CB-CZ 4.43Å; L204-F206 HydrophobicContact CD1-CE2 4.41Å; L204-F206 HydrophobicContact CD1-CZ 4.27Å; F206-I218 HydrophobicContact CD1-CG2 4.06Å; F206-I220 HydrophobicContact CD1-CD1 4.01Å; F206-I220 HydrophobicContact CD1-CG1 3.78Å; F206-I220 HydrophobicContact CE1-CD1 3.42Å; F206-I220 VanDerWaalsContact CE1-CD1 3.42Å; F206-I220 HydrophobicContact CE1-CG1 3.71Å; F206-I220 HydrophobicContact CZ-CD1 4.12Å; F206-I220 HydrophobicContact CZ-CG1 4.5Å
207	Q	90.1	Very high	82.9	Confident	82 Å²	82	43.4 Å²	43.4	38%	0.383	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.9	178.9	-175.2	179.2	-5.3	0	0	111.7	Y205 I218 N219	Y205-Q207 HydrophobicContact CE2-CB 4.32Å; Q207-I218 CarbonylContact O-C 3.56Å; Q207-I218 WeakPolarHBondContact O-CA 3.43Å; Q207-N219 PolarHBondContact N-O 2.84Å; Q207-N219 PolarHBondContact O-N 2.82Å
208	L	89	Confident	84.5	Confident	32 Å²	32	42.1 Å²	42.1	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.6	166.7	-81.2	172.8	0	0	0	109.5	Y39 V41 K211 K216	Y39-L208 WeakPolarHBondContact OH-CG 3.26Å; Y39-L208 PolarHBondContact OH-N 3.07Å; V41-L208 HydrophobicContact CG1-CD2 4.29Å; V41-L208 HydrophobicContact CG2-CD1 4.05Å; V41-L208 HydrophobicContact CG2-CD2 3.98Å; V41-L208 HydrophobicContact CG2-CG 4.13Å; L208-K211 HydrophobicContact CB-CG 4.25Å; L208-K211 HydrophobicContact CD1-CG 4.2Å; L208-K216 HydrophobicContact CD1-CD 4.33Å; L208-K216 HydrophobicContact CD2-CB 3.77Å; L208-K216 HydrophobicContact CD2-CD 3.93Å; L208-K216 HydrophobicContact CD2-CG 4.22Å
209	V	87.1	Confident	85.6	Confident	31 Å²	31	40.3 Å²	40.3	19%	0.188	21%	0.205	C	C	.	.	S	Bend	trans	-63.9	-44.8	175.2	179.1	0	0	0	0	110.5	I217 N219 L245 W326	V209-I217 HydrophobicContact CB-CB 4.15Å; V209-I217 HydrophobicContact CB-CG2 4.34Å; V209-I217 HydrophobicContact CG2-CB 4.04Å; V209-I217 HydrophobicContact CG2-CG2 3.73Å; V209-I217 PolarHBondContact N-O 2.87Å; V209-N219 HydrophobicContact CG2-CB 4.08Å; V209-L245 HydrophobicContact CG2-CD2 3.88Å; V209-W326 HydrophobicContact CG1-CB 3.87Å; V209-W326 HydrophobicContact CG1-CD2 3.77Å; V209-W326 HydrophobicContact CG1-CG 3.36Å
210	N	82.5	Confident	86.2	Confident	45 Å²	45	37.9 Å²	37.9	24%	0.241	19%	0.189	C	C	.	.			trans	-138.6	121.6	173.3	-173.3	-4.9	0	0	0	110.2	N212 D213 W326	N210-N212 VanDerWaalsContact C-N 3.31Å; N210-N212 PolarHBondContact OD1-N 3.48Å; N210-D213 HydrophobicContact CB-CB 4.33Å; N210-D213 VanDerWaalsContact CB-OD2 3.32Å; N210-D213 WeakPolarHBondContact CB-OD2 3.38Å; N210-D213 PolarHBondContact ND2-OD1 2.04Å; N210-D213 VanDerWaalsContact ND2-OD1 3.16Å; N210-D213 PolarHBondContact ND2-OD2 3.3Å; N210-W326 HydrophobicContact CB-CB 4.44Å
211	K	78.1	Confident	86.3	Confident	162 Å²	162	39.2 Å²	39.2	70%	0.704	20%	0.196	S	C	*	.	S	Bend	trans	-72.3	-27.5	-179.3	-67.4	-177.5	-178.8	177.7	0	112.5	L208 K216	L208-K211 HydrophobicContact CB-CG 4.25Å; L208-K211 HydrophobicContact CD1-CG 4.2Å; K211-K216 PolarHBondContact O-NZ 3.22Å
212	N	77.4	Confident	86.3	Confident	147 Å²	147	38.1 Å²	38.1	79%	0.786	19%	0.192	S	C	*	.	S	Bend	trans	-89.4	-15.4	-171.7	-63.5	-16.8	0	0	0	113.2	N210	N210-N212 VanDerWaalsContact C-N 3.31Å; N210-N212 PolarHBondContact OD1-N 3.48Å
213	D	71.8	Confident	86.3	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.182	19%	0.193	C	C	.	.			trans	-71	143.2	-179.5	-77.8	-23.1	0	0	0	111.7	N210 I215 K216 S325	N210-D213 HydrophobicContact CB-CB 4.33Å; N210-D213 VanDerWaalsContact CB-OD2 3.32Å; N210-D213 WeakPolarHBondContact CB-OD2 3.38Å; N210-D213 PolarHBondContact ND2-OD1 2.04Å; N210-D213 VanDerWaalsContact ND2-OD1 3.16Å; N210-D213 PolarHBondContact ND2-OD2 3.3Å; D213-I215 WeakPolarHBondContact CB-O 3.39Å; D213-I215 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact O-NZ 3.32Å; D213-S325 VanDerWaalsContact OD2-O 3.08Å
214	P	70.8	Confident	85.9	Confident	90 Å²	90	42.4 Å²	42.4	58%	0.584	21%	0.211	S	C	*	.	S	Bend	trans	-65.1	-32.8	174.8	26.3	-32.5	0	0	0	111.2	L257	P214-L257 HydrophobicContact CB-CD2 3.49Å; P214-L257 VanDerWaalsContact CB-CD2 3.49Å; P214-L257 HydrophobicContact CG-CD2 3.77Å
215	I	76.1	Confident	85.6	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	24%	0.238	C	C	.	.	S	Bend	trans	-92.4	120.1	174.2	-54.8	-157.7	0	0	0	109.1	D213 I217 P248 L254 I259 Y323	D213-I215 WeakPolarHBondContact CB-O 3.39Å; D213-I215 PolarHBondContact O-N 2.91Å; I215-I217 PolarHBondContact O-N 2.69Å; I215-P248 HydrophobicContact CG2-CG 3.94Å; I215-L254 HydrophobicContact CD1-CD2 4.04Å; I215-L254 HydrophobicContact CG1-CD2 4.38Å; I215-I259 HydrophobicContact CD1-CD1 3.38Å; I215-I259 HydrophobicContact CG1-CD1 3.7Å; I215-Y323 HydrophobicContact CD1-CD1 4.3Å; I215-Y323 HydrophobicContact CD1-CD2 3.67Å; I215-Y323 HydrophobicContact CD1-CE1 3.95Å; I215-Y323 HydrophobicContact CD1-CE2 3.24Å; I215-Y323 HydrophobicContact CD1-CG 4.18Å; I215-Y323 VanDerWaalsContact CD1-CZ 3.41Å; I215-Y323 WeakPolarHBondContact CD1-O 3.17Å; I215-Y323 HydrophobicContact CG2-CD1 4.5Å; I215-Y323 HydrophobicContact CG2-CE1 3.66Å
216	K	83.7	Confident	85.4	Confident	67 Å²	67	48.6 Å²	48.6	29%	0.291	25%	0.245	S	C	.	.			trans	-87.6	105	-178.2	-60.7	-51.2	-178.1	-160.9	0	110.2	V41 W48 L208 K211 D213 P248	V41-K216 HydrophobicContact CG1-CB 3.73Å; V41-K216 HydrophobicContact CG1-CG 4.18Å; W48-K216 VanDerWaalsContact CZ3-O 3.29Å; W48-K216 WeakPolarHBondContact CZ3-O 3.15Å; L208-K216 HydrophobicContact CD1-CD 4.33Å; L208-K216 HydrophobicContact CD2-CB 3.77Å; L208-K216 HydrophobicContact CD2-CD 3.93Å; L208-K216 HydrophobicContact CD2-CG 4.22Å; K211-K216 PolarHBondContact O-NZ 3.22Å; D213-K216 PolarHBondContact O-NZ 3.32Å; K216-P248 WeakPolarHBondContact O-CD 3.08Å
217	I	88.2	Confident	85.2	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.254	C	S	.	.			trans	-89.2	128.2	168.4	-50.8	-178.3	0	0	0	108.4	V209 I215 W246 I247 A324 W326 L335	V209-I217 HydrophobicContact CB-CB 4.15Å; V209-I217 HydrophobicContact CB-CG2 4.34Å; V209-I217 HydrophobicContact CG2-CB 4.04Å; V209-I217 HydrophobicContact CG2-CG2 3.73Å; V209-I217 PolarHBondContact N-O 2.87Å; I215-I217 PolarHBondContact O-N 2.69Å; I217-W246 WeakPolarHBondContact CG2-O 3.37Å; I217-I247 HydrophobicContact CD1-CG2 4.46Å; I217-I247 HydrophobicContact CG1-CG2 4.16Å; I217-I247 HydrophobicContact CG2-CG2 4.2Å; I217-A324 HydrophobicContact CD1-CB 3.72Å; I217-A324 HydrophobicContact CG1-CB 4.38Å; I217-W326 HydrophobicContact CD1-CD2 4.41Å; I217-W326 HydrophobicContact CD1-CE3 3.47Å; I217-W326 VanDerWaalsContact CD1-CE3 3.47Å; I217-W326 HydrophobicContact CD1-CH2 3.89Å; I217-W326 HydrophobicContact CD1-CZ3 3.16Å; I217-L335 HydrophobicContact CD1-CD1 3.86Å
218	I	91.1	Very high	85	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	177.7	-58.5	171.8	0	0	0	108.5	Y39 V41 L42 W48 F206 Q207 I220 L245 W246	Y39-I218 HydrophobicContact CE1-CD1 3.86Å; Y39-I218 HydrophobicContact CE1-CG1 4.1Å; Y39-I218 HydrophobicContact CE1-CG2 4.3Å; V41-I218 HydrophobicContact CB-CD1 4.35Å; V41-I218 HydrophobicContact CG1-CD1 3.8Å; V41-I218 HydrophobicContact CG1-CG1 4.03Å; L42-I218 HydrophobicContact CD2-CD1 3.72Å; L42-I218 HydrophobicContact CG-CD1 4.21Å; W48-I218 HydrophobicContact CD2-CD1 4.23Å; W48-I218 HydrophobicContact CE3-CD1 3.93Å; W48-I218 HydrophobicContact CE3-CG1 4.41Å; W48-I218 HydrophobicContact CH2-CD1 3.22Å; W48-I218 HydrophobicContact CH2-CG1 3.71Å; W48-I218 HydrophobicContact CZ2-CD1 3.53Å; W48-I218 HydrophobicContact CZ2-CG1 4.48Å; W48-I218 HydrophobicContact CZ3-CB 4.37Å; W48-I218 HydrophobicContact CZ3-CD1 3.43Å; W48-I218 VanDerWaalsContact CZ3-CD1 3.43Å; W48-I218 HydrophobicContact CZ3-CG1 3.65Å; F206-I218 HydrophobicContact CD1-CG2 4.06Å; Q207-I218 CarbonylContact O-C 3.56Å; Q207-I218 WeakPolarHBondContact O-CA 3.43Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å; I218-L245 CarbonylContact O-C 3.55Å; I218-L245 WeakPolarHBondContact O-CA 3.5Å; I218-W246 HydrophobicContact CB-CB 4.41Å; I218-W246 PolarHBondContact N-O 3.43Å; I218-W246 PolarHBondContact O-N 3.06Å
219	N	90.5	Very high	84.9	Confident	9 Å²	9	56 Å²	56	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.9	162.3	-177.8	17.9	0	0	0	108.1	Q207 V209 S243 I244 L245	Q207-N219 PolarHBondContact N-O 2.84Å; Q207-N219 PolarHBondContact O-N 2.82Å; V209-N219 HydrophobicContact CG2-CB 4.08Å; N219-S243 WeakPolarHBondContact OD1-CB 3.42Å; N219-S243 PolarHBondContact OD1-OG 3.05Å; N219-I244 PolarHBondContact OD1-O 2.9Å; N219-L245 HydrophobicContact CB-CD2 3.8Å
220	I	91.8	Very high	84.8	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.9	171.2	-57.6	-175.9	0	0	0	107.1	M88 L204 F206 I218 I244 W246	M88-I220 HydrophobicContact CE-CD1 4.24Å; M88-I220 HydrophobicContact SD-CD1 4.22Å; L204-I220 HydrophobicContact CB-CG2 4.37Å; L204-I220 HydrophobicContact CD1-CG2 4.4Å; L204-I220 HydrophobicContact CD2-CG2 4.01Å; F206-I220 HydrophobicContact CD1-CD1 4.01Å; F206-I220 HydrophobicContact CD1-CG1 3.78Å; F206-I220 HydrophobicContact CE1-CD1 3.42Å; F206-I220 VanDerWaalsContact CE1-CD1 3.42Å; F206-I220 HydrophobicContact CE1-CG1 3.71Å; F206-I220 HydrophobicContact CZ-CD1 4.12Å; F206-I220 HydrophobicContact CZ-CG1 4.5Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å; I220-I244 PolarHBondContact N-O 2.82Å; I220-I244 PolarHBondContact O-N 2.84Å; I220-W246 HydrophobicContact CD1-CG 4.25Å
221	L	90.8	Very high	85	Confident	30 Å²	30	59.2 Å²	59.2	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.5	173.4	-70.3	167.2	0	0	0	108.4	L204 Y205 F241 D242	L204-L221 CarbonylContact C-O 3.58Å; L204-L221 WeakPolarHBondContact CA-O 3.28Å; Y205-L221 HydrophobicContact CD1-CB 4.08Å; Y205-L221 HydrophobicContact CD1-CD1 3.38Å; Y205-L221 HydrophobicContact CD1-CG 4.33Å; Y205-L221 HydrophobicContact CE1-CD1 3.63Å; Y205-L221 HydrophobicContact CG-CB 4.35Å; Y205-L221 HydrophobicContact CG-CD1 4.27Å; Y205-L221 PolarHBondContact N-O 3.24Å; Y205-L221 PolarHBondContact O-N 3.05Å; L221-F241 HydrophobicContact CB-CB 4.11Å; L221-F241 HydrophobicContact CB-CD1 4.18Å; L221-F241 HydrophobicContact CB-CG 4.39Å; L221-F241 HydrophobicContact CD2-CB 4.35Å; L221-D242 CarbonylContact C-O 3.52Å; L221-D242 VanDerWaalsContact CA-O 3.24Å; L221-D242 WeakPolarHBondContact CA-O 3.19Å
222	Q	91.6	Very high	85.4	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.2	-176	62.8	168.3	-42.1	0	0	111	L134 C203 L204 F241 D242	L134-Q222 PolarHBondContact O-NE2 3.18Å; C203-Q222 WeakPolarHBondContact O-CA 3.42Å; L204-Q222 HydrophobicContact CD2-CB 3.57Å; Q222-F241 VanDerWaalsContact C-CD1 3.4Å; Q222-F241 CarbonylContact O-C 3.56Å; Q222-F241 WeakPolarHBondContact O-CA 3.5Å; Q222-D242 HydrophobicContact CG-CB 3.97Å; Q222-D242 WeakPolarHBondContact CG-O 3.32Å; Q222-D242 PolarHBondContact N-O 2.97Å; Q222-D242 PolarHBondContact O-N 2.83Å
223	S	91.3	Very high	86	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140	179.7	58.7	0	0	0	0	110.9	N136 Q202 C203 H225	N136-S223 PolarHBondContact ND2-O 2.98Å; Q202-S223 VanDerWaalsContact CG-OG 3.23Å; Q202-S223 WeakPolarHBondContact CG-OG 3.39Å; Q202-S223 PolarHBondContact NE2-O 3.04Å; C203-S223 PolarHBondContact N-OG 2.89Å; C203-S223 PolarHBondContact O-N 3.17Å; S223-H225 VanDerWaalsContact C-N 3.3Å; S223-H225 WeakPolarHBondContact CB-O 3.02Å; S223-H225 PolarHBondContact OG-O 2.86Å
224	K	85.9	Confident	86.7	Confident	89 Å²	89	50.1 Å²	50.1	39%	0.387	27%	0.265	S	S	.	.	S	Bend	trans	-67.2	-34.2	171.3	-73.1	-168.6	-174.6	170.1	0	112.6	E240 D242	K224-E240 HydrophobicContact CB-CB 4.39Å; K224-E240 HydrophobicContact CD-CB 3.81Å; K224-E240 WeakPolarHBondContact CD-OE2 3.35Å; K224-E240 WeakPolarHBondContact CE-OE2 3.27Å; K224-E240 HydrophobicContact CG-CB 4.12Å; K224-E240 PolarHBondContact N-O 2.67Å; K224-E240 IonicContact NZ-OE2 2.84Å; K224-E240 PolarHBondContact NZ-OE2 2.84Å; K224-D242 WeakPolarHBondContact CE-OD1 3.41Å; K224-D242 WeakPolarHBondContact CG-OD2 3.33Å
225	H	86.3	Confident	87.6	Confident	124 Å²	124	45.9 Å²	45.9	57%	0.574	24%	0.238	S	C	*	.			trans	-88.2	152.6	176.1	-56.7	-64.7	0	0	0	111.3	S223 L234	S223-H225 VanDerWaalsContact C-N 3.3Å; S223-H225 WeakPolarHBondContact CB-O 3.02Å; S223-H225 PolarHBondContact OG-O 2.86Å; H225-L234 HydrophobicContact CB-CD2 4.08Å
226	V	87.6	Confident	88.1	Confident	59 Å²	59	50 Å²	50	36%	0.358	26%	0.26	S	S	.	.			trans	-136.7	158.4	-175.5	-57.6	0	0	0	0	108.4	G137 V200 Y201 Q202	G137-V226 VanDerWaalsContact CA-CG1 3.44Å; V200-V226 HydrophobicContact CG1-CB 3.81Å; V200-V226 HydrophobicContact CG1-CG1 4.42Å; V200-V226 HydrophobicContact CG1-CG2 4.23Å; Y201-V226 WeakPolarHBondContact O-CA 3.5Å; Q202-V226 HydrophobicContact CG-CG1 4.29Å
227	S	88	Confident	88	Confident	27 Å²	27	53.8 Å²	53.8	19%	0.189	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-135.7	156.7	178.4	-177.5	0	0	0	0	111.3	Y201 H229	Y201-S227 PolarHBondContact N-O 2.93Å; Y201-S227 PolarHBondContact O-N 3.41Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 WeakPolarHBondContact CB-O 3.03Å; S227-H229 PolarHBondContact OG-N 2.87Å; S227-H229 PolarHBondContact OG-O 2.85Å
228	L	85.6	Confident	87.8	Confident	108 Å²	108	65.2 Å²	65.2	57%	0.565	33%	0.326	S	S	*	.	S	Bend	trans	-84.2	-6.4	171.7	-62.5	175.1	0	0	0	112.6	F141 V200 Y201	F141-L228 HydrophobicContact CZ-CD2 4.38Å; V200-L228 HydrophobicContact CG2-CD2 4.26Å; Y201-L228 WeakPolarHBondContact CE2-O 3Å
229	H	86	Confident	87.4	Confident	135 Å²	135	66.4 Å²	66.4	63%	0.625	34%	0.336	S	S	*	.	S	Bend	trans	-134.9	155.1	178.1	-52.4	91.2	0	0	0	109.5	Y201 S227 D231	Y201-H229 VanDerWaalsContact CD2-C 3.41Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 WeakPolarHBondContact CB-O 3.03Å; S227-H229 PolarHBondContact OG-N 2.87Å; S227-H229 PolarHBondContact OG-O 2.85Å; H229-D231 PolarHBondContact O-N 3.13Å
230	P	85	Confident	87.2	Confident	74 Å²	74	71.3 Å²	71.3	48%	0.481	36%	0.359	S	S	.	.			trans	-68	93.7	179.6	26	-32.2	0	0	0	110.9	I189 Y201	I189-P230 HydrophobicContact CG2-CB 4.06Å; Y201-P230 HydrophobicContact CD1-CB 3.74Å; Y201-P230 HydrophobicContact CD1-CG 4.43Å; Y201-P230 HydrophobicContact CE1-CB 3.84Å; Y201-P230 HydrophobicContact CE1-CG 4.1Å; Y201-P230 HydrophobicContact CG-CB 4.34Å
231	D	87.6	Confident	86.9	Confident	69 Å²	69	73.4 Å²	73.4	37%	0.369	37%	0.368	S	S	.	.			trans	-104.5	120.8	-179.1	-174.6	-10.6	0	0	0	110.5	I189 H229 S233 L234	I189-D231 VanDerWaalsContact CD1-O 3.23Å; I189-D231 WeakPolarHBondContact CD1-O 3.43Å; H229-D231 PolarHBondContact O-N 3.13Å; D231-S233 VanDerWaalsContact C-N 3.26Å; D231-S233 PolarHBondContact O-N 2.81Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.38Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 3.39Å; D231-S233 PolarHBondContact OD2-OG 2.83Å; D231-L234 HydrophobicContact CB-CD1 4.47Å; D231-L234 HydrophobicContact CB-CG 4.33Å; D231-L234 WeakPolarHBondContact O-CB 3.37Å; D231-L234 WeakPolarHBondContact O-CG 3.48Å; D231-L234 PolarHBondContact O-N 2.95Å
232	E	87.2	Confident	86.6	Confident	84 Å²	84	73.8 Å²	73.8	39%	0.393	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-69.4	-23.4	-178.8	-58	-170.6	174	0	0	113	R179 I181 L234 C235	R179-E232 IonicContact CZ-OE1 3.09Å; R179-E232 IonicContact NE-OE1 2.86Å; R179-E232 IonicContact NH1-OE1 2.62Å; R179-E232 PolarHBondContact NH1-OE1 3.07Å; R179-E232 IonicContact NH2-OE1 3.5Å; R179-E232 PolarHBondContact NH2-OE1 2.8Å; I181-E232 HydrophobicContact CD1-CB 4.26Å; I181-E232 HydrophobicContact CD1-CG 3.74Å; E232-L234 PolarHBondContact O-N 2.77Å; E232-L234 VanDerWaalsContact O-N 3.15Å; E232-C235 PolarHBondContact O-N 2.79Å
233	S	88.4	Confident	86.3	Confident	55 Å²	55	73.7 Å²	73.7	39%	0.385	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-62.4	-22.3	179.1	70	0	0	0	0	112.6	D231 C235 D236	D231-S233 VanDerWaalsContact C-N 3.26Å; D231-S233 PolarHBondContact O-N 2.81Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.38Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 3.39Å; D231-S233 PolarHBondContact OD2-OG 2.83Å; S233-C235 PolarHBondContact O-N 2.75Å; S233-C235 VanDerWaalsContact O-N 3.16Å; S233-D236 WeakPolarHBondContact O-CB 3.46Å; S233-D236 PolarHBondContact O-N 2.77Å; S233-D236 VanDerWaalsContact O-N 3.13Å
234	L	88.2	Confident	86.1	Confident	13 Å²	13	74.1 Å²	74.1	7%	0.068	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.1	171.8	-62.6	176.8	0	0	0	112.8	I189 C203 H225 D231 E232	I189-L234 HydrophobicContact CD1-CB 4.03Å; I189-L234 HydrophobicContact CD1-CD1 4.36Å; C203-L234 HydrophobicContact CB-CB 3.95Å; C203-L234 VanDerWaalsContact CB-O 3.22Å; C203-L234 WeakPolarHBondContact CB-O 3.11Å; H225-L234 HydrophobicContact CB-CD2 4.08Å; D231-L234 HydrophobicContact CB-CD1 4.47Å; D231-L234 HydrophobicContact CB-CG 4.33Å; D231-L234 WeakPolarHBondContact O-CB 3.37Å; D231-L234 WeakPolarHBondContact O-CG 3.48Å; D231-L234 PolarHBondContact O-N 2.95Å; E232-L234 PolarHBondContact O-N 2.77Å; E232-L234 VanDerWaalsContact O-N 3.15Å
235	C	89.7	Confident	86.2	Confident	2 Å²	2	70 Å²	70	1%	0.014	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-100.1	5.8	-179.9	-72.8	0	0	0	0	114.2	I181 K187 I189 C203 E232 S233	I181-C235 HydrophobicContact CB-CB 4.49Å; I181-C235 HydrophobicContact CG1-CB 4.2Å; I181-C235 HydrophobicContact CG2-CB 4.44Å; K187-C235 HydrophobicContact CD-CB 4.33Å; K187-C235 PolarHBondContact NZ-O 2.84Å; I189-C235 WeakPolarHBondContact CD1-SG 3.44Å; C203-C235 HydrophobicContact CB-CB 4.04Å; C203-C235 WeakPolarHBondContact CB-SG 3.38Å; C203-C235 WeakPolarHBondContact SG-CA 3.22Å; C203-C235 WeakPolarHBondContact SG-CB 3.36Å; C203-C235 CovalentContact SG-SG 2.03Å; C203-C235 PolarHBondContact SG-SG 2.8Å; E232-C235 PolarHBondContact O-N 2.79Å; S233-C235 PolarHBondContact O-N 2.75Å; S233-C235 VanDerWaalsContact O-N 3.16Å
236	D	86.5	Confident	86.4	Confident	95 Å²	95	64 Å²	64	51%	0.508	33%	0.327	S	S	.	.			trans	-60.5	151.3	179.8	-82.8	-16.6	0	0	0	112.2	S233 R238 A239	S233-D236 WeakPolarHBondContact O-CB 3.46Å; S233-D236 PolarHBondContact O-N 2.77Å; S233-D236 VanDerWaalsContact O-N 3.13Å; D236-R238 PolarHBondContact O-N 3.21Å; D236-R238 VanDerWaalsContact O-N 3.13Å; D236-A239 VanDerWaalsContact O-CB 3.3Å; D236-A239 WeakPolarHBondContact O-CB 3.46Å; D236-A239 PolarHBondContact O-N 2.71Å
237	D	81.5	Confident	86.5	Confident	145 Å²	145	61.2 Å²	61.2	78%	0.775	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.2	-179.2	-66.4	-28.7	0	0	0	113.5	K187	K187-D237 IonicContact NZ-OD1 3.8Å; K187-D237 PolarHBondContact NZ-OD1 3.34Å
238	R	83	Confident	86.4	Confident	244 Å²	244	60.6 Å²	60.6	92%	0.921	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.7	174.5	-62.7	-178	-176.9	175.8	1.4	113.2	D236	D236-R238 PolarHBondContact O-N 3.21Å; D236-R238 VanDerWaalsContact O-N 3.13Å
239	A	82.5	Confident	86.4	Confident	25 Å²	25	56.8 Å²	56.8	21%	0.207	29%	0.288	C	S	.	.	S	Bend	trans	-67.6	143	-178.9	0	0	0	0	0	110.3	D236 F241	D236-A239 VanDerWaalsContact O-CB 3.3Å; D236-A239 WeakPolarHBondContact O-CB 3.46Å; D236-A239 PolarHBondContact O-N 2.71Å; A239-F241 HydrophobicContact CB-CD2 4.47Å; A239-F241 HydrophobicContact CB-CE2 3.72Å; A239-F241 HydrophobicContact CB-CZ 4.12Å; A239-F241 WeakPolarHBondContact O-CD2 3.34Å; A239-F241 WeakPolarHBondContact O-CE2 3.17Å
240	E	86	Confident	85.9	Confident	111 Å²	111	50.8 Å²	50.8	52%	0.519	26%	0.26	S	S	.	.			trans	-81.1	134.4	174.5	-66.5	-170.8	-170.9	0	0	110.5	K224	K224-E240 HydrophobicContact CB-CB 4.39Å; K224-E240 HydrophobicContact CD-CB 3.81Å; K224-E240 WeakPolarHBondContact CD-OE2 3.35Å; K224-E240 WeakPolarHBondContact CE-OE2 3.27Å; K224-E240 HydrophobicContact CG-CB 4.12Å; K224-E240 PolarHBondContact N-O 2.67Å; K224-E240 IonicContact NZ-OE2 2.84Å; K224-E240 PolarHBondContact NZ-OE2 2.84Å
241	F	87	Confident	84.9	Confident	46 Å²	46	49.8 Å²	49.8	20%	0.202	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.9	-179.3	-69	-94.6	0	0	0	112.3	C203 L221 Q222 A239	C203-F241 HydrophobicContact CB-CE1 4.12Å; C203-F241 HydrophobicContact CB-CZ 4.49Å; L221-F241 HydrophobicContact CB-CB 4.11Å; L221-F241 HydrophobicContact CB-CD1 4.18Å; L221-F241 HydrophobicContact CB-CG 4.39Å; L221-F241 HydrophobicContact CD2-CB 4.35Å; Q222-F241 VanDerWaalsContact C-CD1 3.4Å; Q222-F241 CarbonylContact O-C 3.56Å; Q222-F241 WeakPolarHBondContact O-CA 3.5Å; A239-F241 HydrophobicContact CB-CD2 4.47Å; A239-F241 HydrophobicContact CB-CE2 3.72Å; A239-F241 HydrophobicContact CB-CZ 4.12Å; A239-F241 WeakPolarHBondContact O-CD2 3.34Å; A239-F241 WeakPolarHBondContact O-CE2 3.17Å
242	D	83.4	Confident	83.2	Confident	37 Å²	37	54.9 Å²	54.9	20%	0.198	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	152.3	167.8	-65.9	-37	0	0	0	111.2	N136 L221 Q222 K224	N136-D242 PolarHBondContact ND2-OD2 3.28Å; L221-D242 CarbonylContact C-O 3.52Å; L221-D242 VanDerWaalsContact CA-O 3.24Å; L221-D242 WeakPolarHBondContact CA-O 3.19Å; Q222-D242 HydrophobicContact CG-CB 3.97Å; Q222-D242 WeakPolarHBondContact CG-O 3.32Å; Q222-D242 PolarHBondContact N-O 2.97Å; Q222-D242 PolarHBondContact O-N 2.83Å; K224-D242 WeakPolarHBondContact CE-OD1 3.41Å; K224-D242 WeakPolarHBondContact CG-OD2 3.33Å
243	S	85.3	Confident	81.2	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.035	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.2	-173.9	172.5	0	0	0	0	111.3	N219 S380	N219-S243 WeakPolarHBondContact OD1-CB 3.42Å; N219-S243 PolarHBondContact OD1-OG 3.05Å; S243-S380 WeakPolarHBondContact O-CB 3.36Å; S243-S380 PolarHBondContact O-OG 2.97Å
244	I	87.1	Confident	79.4	Confident	9 Å²	9	59.1 Å²	59.1	5%	0.046	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.2	165.6	-44.5	177.5	0	0	0	108.3	T50 L134 F135 N219 I220 W246	T50-I244 HydrophobicContact CG2-CG2 4.37Å; L134-I244 HydrophobicContact CB-CD1 4.49Å; L134-I244 WeakPolarHBondContact O-CD1 3.14Å; F135-I244 HydrophobicContact CD1-CD1 4.41Å; F135-I244 HydrophobicContact CE1-CD1 4.16Å; F135-I244 HydrophobicContact CZ-CD1 4.28Å; N219-I244 PolarHBondContact OD1-O 2.9Å; I220-I244 PolarHBondContact N-O 2.82Å; I220-I244 PolarHBondContact O-N 2.84Å; I244-W246 HydrophobicContact CG2-CZ2 4.31Å; I244-W246 VanDerWaalsContact CG2-NE1 3.32Å
245	L	88.3	Confident	77.7	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.7	176.6	-65.2	178.2	0	0	0	111	T50 V209 I218 N219 W326 L378 Y383	T50-L245 VanDerWaalsContact CB-O 3.3Å; T50-L245 WeakPolarHBondContact CB-O 3.42Å; T50-L245 PolarHBondContact OG1-O 2.89Å; V209-L245 HydrophobicContact CG2-CD2 3.88Å; I218-L245 CarbonylContact O-C 3.55Å; I218-L245 WeakPolarHBondContact O-CA 3.5Å; N219-L245 HydrophobicContact CB-CD2 3.8Å; L245-W326 HydrophobicContact CD1-CZ2 4.32Å; L245-L378 HydrophobicContact CB-CB 4.5Å; L245-L378 HydrophobicContact CB-CD2 4.19Å; L245-L378 HydrophobicContact CD1-CD2 4.29Å; L245-Y383 HydrophobicContact CD1-CD1 4Å; L245-Y383 HydrophobicContact CD1-CD2 4.07Å; L245-Y383 HydrophobicContact CD1-CE1 4.5Å; L245-Y383 HydrophobicContact CD1-CG 3.75Å; L245-Y383 HydrophobicContact CD2-CD1 4.17Å; L245-Y383 HydrophobicContact CD2-CE1 4Å; L245-Y383 HydrophobicContact CG-CD1 4.21Å; L245-Y383 HydrophobicContact CG-CG 4.45Å
246	W	90.7	Very high	76	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.9	-179.4	-66.3	84	0	0	0	110.7	W48 W49 T50 M88 I99 L134 F135 I217 I218 I220 I244	W48-W246 HydrophobicContact CB-CE3 3.92Å; W48-W246 HydrophobicContact CE3-CB 4.13Å; W49-W246 WeakPolarHBondContact O-CA 3.29Å; T50-W246 HydrophobicContact CG2-CD2 4.04Å; T50-W246 HydrophobicContact CG2-CE3 3.8Å; T50-W246 HydrophobicContact CG2-CH2 3.25Å; T50-W246 HydrophobicContact CG2-CZ2 3.49Å; T50-W246 VanDerWaalsContact CG2-CZ2 3.49Å; T50-W246 HydrophobicContact CG2-CZ3 3.39Å; M88-W246 HydrophobicContact CB-CE3 3.88Å; M88-W246 HydrophobicContact CB-CH2 3.6Å; M88-W246 HydrophobicContact CB-CZ2 4.38Å; M88-W246 HydrophobicContact CB-CZ3 3.33Å; M88-W246 HydrophobicContact CE-CD2 4.29Å; M88-W246 HydrophobicContact CE-CE3 4.35Å; I99-W246 HydrophobicContact CD1-CH2 4.42Å; L134-W246 HydrophobicContact CD1-CH2 4.49Å; F135-W246 HydrophobicContact CZ-CZ2 4.48Å; I217-W246 WeakPolarHBondContact CG2-O 3.37Å; I218-W246 HydrophobicContact CB-CB 4.41Å; I218-W246 PolarHBondContact N-O 3.43Å; I218-W246 PolarHBondContact O-N 3.06Å; I220-W246 HydrophobicContact CD1-CG 4.25Å; I244-W246 HydrophobicContact CG2-CZ2 4.31Å; I244-W246 VanDerWaalsContact CG2-NE1 3.32Å
247	I	88.7	Confident	74.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150.7	173.9	58.7	168.8	0	0	0	110.4	W48 W49 W85 I217 Y323 L335 I347 L378	W48-I247 CarbonylContact C-O 3.54Å; W48-I247 VanDerWaalsContact CA-O 3.3Å; W48-I247 WeakPolarHBondContact CA-O 3.39Å; W49-I247 HydrophobicContact CB-CG1 4.16Å; W49-I247 PolarHBondContact N-O 2.85Å; W49-I247 PolarHBondContact O-N 2.9Å; W85-I247 HydrophobicContact CH2-CD1 4.41Å; W85-I247 HydrophobicContact CZ3-CD1 4.45Å; I217-I247 HydrophobicContact CD1-CG2 4.46Å; I217-I247 HydrophobicContact CG1-CG2 4.16Å; I217-I247 HydrophobicContact CG2-CG2 4.2Å; I247-Y323 HydrophobicContact CB-CE1 4.44Å; I247-Y323 HydrophobicContact CD1-CE1 4.46Å; I247-L335 HydrophobicContact CG2-CD1 3.75Å; I247-I347 HydrophobicContact CD1-CD1 3.36Å; I247-L378 HydrophobicContact CB-CD1 4.15Å; I247-L378 HydrophobicContact CD1-CD1 3.88Å; I247-L378 HydrophobicContact CG1-CD1 3.66Å; I247-L378 HydrophobicContact CG2-CD1 3.54Å; I247-L378 HydrophobicContact CG2-CD2 4.39Å
248	P	87.4	Confident	74	Confident	14 Å²	14	65.5 Å²	65.5	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.8	172.4	27.6	-31.5	0	0	0	109.5	W48 I215 K216 L250 Y323	W48-P248 HydrophobicContact CE3-CB 4.42Å; W48-P248 HydrophobicContact CH2-CB 4.39Å; W48-P248 HydrophobicContact CZ3-CB 4.24Å; W48-P248 HydrophobicContact CZ3-CG 4.45Å; I215-P248 HydrophobicContact CG2-CG 3.94Å; K216-P248 WeakPolarHBondContact O-CD 3.08Å; P248-L250 PolarHBondContact O-N 2.87Å; P248-Y323 PolarHBondContact O-OH 2.86Å
249	S	83.7	Confident	73.7	Confident	28 Å²	28	55.3 Å²	55.3	20%	0.196	28%	0.279	C	S	.	.			trans	-53.7	138.6	178.1	64.9	0	0	0	0	111.6	L47 W49 S251	L47-S249 PolarHBondContact O-N 2.81Å; L47-S249 PolarHBondContact O-OG 3Å; W49-S249 VanDerWaalsContact CE2-CB 3.46Å; S249-S251 VanDerWaalsContact C-N 3.3Å; S249-S251 PolarHBondContact O-N 2.04Å
250	L	75.8	Confident	73.5	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.047	29%	0.293	C	S	.	.			trans	-69.1	85.7	176.4	-64.4	178.7	0	0	0	110.2	W49 P248 Y323 Y345 I347	W49-L250 HydrophobicContact CE3-CG 4.33Å; W49-L250 HydrophobicContact CH2-CB 3.85Å; W49-L250 HydrophobicContact CH2-CG 4.38Å; W49-L250 HydrophobicContact CZ3-CB 3.64Å; W49-L250 HydrophobicContact CZ3-CD1 3.96Å; W49-L250 HydrophobicContact CZ3-CG 3.65Å; P248-L250 PolarHBondContact O-N 2.87Å; L250-Y323 HydrophobicContact CD2-CD2 3.65Å; L250-Y323 HydrophobicContact CD2-CE1 4.22Å; L250-Y323 HydrophobicContact CD2-CE2 3.07Å; L250-Y323 HydrophobicContact CD2-CG 4.41Å; L250-Y323 VanDerWaalsContact CD2-CZ 3.41Å; L250-Y345 HydrophobicContact CB-CD1 4.49Å; L250-Y345 HydrophobicContact CB-CD2 3.88Å; L250-Y345 HydrophobicContact CB-CE2 3.91Å; L250-Y345 HydrophobicContact CB-CG 4.19Å; L250-Y345 HydrophobicContact CD1-CD1 3.9Å; L250-Y345 HydrophobicContact CD1-CD2 4.1Å; L250-Y345 HydrophobicContact CD1-CG 3.6Å; L250-Y345 WeakPolarHBondContact O-CE2 3.41Å; L250-I347 HydrophobicContact CD1-CD1 3.75Å; L250-I347 HydrophobicContact CD1-CG1 4.12Å; L250-I347 HydrophobicContact CG-CD1 4.34Å
251	S	63.9	Low	73.5	Confident	52 Å²	52	52.9 Å²	52.9	36%	0.364	27%	0.271	S	S	.	.			trans	-79.1	147	172.4	79.5	0	0	0	0	110.4	S249 K253 L254	S249-S251 VanDerWaalsContact C-N 3.3Å; S249-S251 PolarHBondContact O-N 2.04Å; S251-K253 PolarHBondContact O-N 2.87Å; S251-L254 PolarHBondContact O-N 2.9Å
252	K	51.9	Low	73.5	Confident	177 Å²	177	52.8 Å²	52.8	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-21.8	175.2	-72.8	-176.2	177	179.8	0	114.6
253	K	47	Very low	73.7	Confident	180 Å²	180	51.3 Å²	51.3	78%	0.783	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.1	178.1	-69.6	-175.1	178.3	179.9	0	113.8	S251 N255	S251-K253 PolarHBondContact O-N 2.87Å; K253-N255 VanDerWaalsContact C-N 3.29Å
254	L	50.6	Low	73.7	Confident	48 Å²	48	54.5 Å²	54.5	25%	0.251	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-74.9	-20.9	178.1	-86	151.9	0	0	0	112.4	I215 S251 D256 L257	I215-L254 HydrophobicContact CD1-CD2 4.04Å; I215-L254 HydrophobicContact CG1-CD2 4.38Å; S251-L254 PolarHBondContact O-N 2.9Å; L254-D256 PolarHBondContact O-N 2.82Å; L254-L257 PolarHBondContact O-N 3.49Å
255	N	52.2	Low	73.7	Confident	76 Å²	76	54.1 Å²	54.1	41%	0.406	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.5	-15.7	178.2	-72.1	7.5	0	0	0	113.8	K253	K253-N255 VanDerWaalsContact C-N 3.29Å
256	D	52.8	Low	73.7	Confident	147 Å²	147	54 Å²	54	79%	0.786	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-85.1	-11.2	177.8	-68.2	-27.8	0	0	0	113.2	L254	L254-D256 PolarHBondContact O-N 2.82Å
257	L	61.3	Low	73.5	Confident	86 Å²	86	54.1 Å²	54.1	45%	0.45	28%	0.284	S	S	.	.	S	Bend	trans	-84.8	116.7	178.9	-123.3	94	0	0	0	110.5	P214 L254 I259	P214-L257 HydrophobicContact CB-CD2 3.49Å; P214-L257 VanDerWaalsContact CB-CD2 3.49Å; P214-L257 HydrophobicContact CG-CD2 3.77Å; L254-L257 PolarHBondContact O-N 3.49Å; L257-I259 PolarHBondContact O-N 2.78Å
258	F	65.4	Low	73.3	Confident	80 Å²	80	54.1 Å²	54.1	35%	0.351	28%	0.284	S	S	.	.			trans	-72.3	122	171.3	172.3	-111.2	0	0	0	110.2	P260 I296 N297	F258-P260 HydrophobicContact CE1-CB 3.95Å; F258-P260 HydrophobicContact CE1-CG 4.18Å; F258-P260 HydrophobicContact CZ-CB 3.73Å; F258-P260 HydrophobicContact CZ-CG 4.43Å; F258-I296 HydrophobicContact CE1-CG2 4.2Å; F258-I296 HydrophobicContact CE2-CG2 3.77Å; F258-I296 HydrophobicContact CZ-CG2 3.4Å; F258-I296 VanDerWaalsContact CZ-CG2 3.4Å; F258-N297 HydrophobicContact CD2-CB 3.64Å; F258-N297 VanDerWaalsContact CD2-OD1 3.3Å; F258-N297 WeakPolarHBondContact CD2-OD1 3.5Å; F258-N297 HydrophobicContact CE2-CB 3.53Å
259	I	75.9	Confident	73.2	Confident	30 Å²	30	53.4 Å²	53.4	15%	0.154	28%	0.28	C	S	.	.			trans	-124.9	107.6	176.2	-58.7	-179	0	0	0	107.6	I215 L257 Y323	I215-I259 HydrophobicContact CD1-CD1 3.38Å; I215-I259 HydrophobicContact CG1-CD1 3.7Å; L257-I259 PolarHBondContact O-N 2.78Å; I259-Y323 WeakPolarHBondContact CD1-O 3.46Å
260	P	78.5	Confident	73.2	Confident	76 Å²	76	53.5 Å²	53.5	49%	0.494	28%	0.279	S	S	.	.			trans	-65.8	144	-179.8	26.9	-32.6	0	0	0	110.3	F258	F258-P260 HydrophobicContact CE1-CB 3.95Å; F258-P260 HydrophobicContact CE1-CG 4.18Å; F258-P260 HydrophobicContact CZ-CB 3.73Å; F258-P260 HydrophobicContact CZ-CG 4.43Å
261	C	87.5	Confident	73.7	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.054	28%	0.284	C	S	.	.			trans	-68.1	146.1	169.6	-67.6	0	0	0	0	110.7	F263 S292 D293 I300 C322	C261-F263 PolarHBondContact O-N 2.81Å; C261-F263 VanDerWaalsContact O-N 3.1Å; C261-S292 WeakPolarHBondContact CB-OG 3.33Å; C261-D293 WeakPolarHBondContact CB-OD2 3.19Å; C261-D293 PolarHBondContact N-OD2 3.29Å; C261-I300 HydrophobicContact CB-CG1 4.48Å; C261-I300 VanDerWaalsContact SG-CG1 3.57Å; C261-C322 WeakPolarHBondContact CA-SG 3.39Å; C261-C322 HydrophobicContact CB-CB 4.06Å; C261-C322 WeakPolarHBondContact CB-SG 3.35Å; C261-C322 WeakPolarHBondContact SG-CB 3.43Å; C261-C322 CovalentContact SG-SG 2.04Å; C261-C322 PolarHBondContact SG-SG 3.27Å
262	P	86.2	Confident	74.9	Confident	45 Å²	45	51.7 Å²	51.7	29%	0.292	27%	0.267	S	S	.	.	S	Bend	trans	-69	-10.8	-173.5	34.3	-44.1	0	0	0	113.6	T332 T334 F352	P262-T332 HydrophobicContact CB-CG2 4.06Å; P262-T332 HydrophobicContact CG-CG2 4.42Å; P262-T334 HydrophobicContact CG-CG2 4.18Å; P262-T334 VanDerWaalsContact CG-OG1 3.31Å; P262-T334 WeakPolarHBondContact CG-OG1 3.49Å; P262-F352 HydrophobicContact CB-CZ 4Å; P262-F352 HydrophobicContact CG-CE1 3.8Å; P262-F352 HydrophobicContact CG-CZ 3.69Å
263	F	87.4	Confident	76.4	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.026	23%	0.234	C	C	.	.			trans	-139.9	152.1	173	67.8	-99.2	0	0	0	111.2	C261 F267 L290 S292 I300 M350 F352 I355 L372	C261-F263 PolarHBondContact O-N 2.81Å; C261-F263 VanDerWaalsContact O-N 3.1Å; F263-F267 HydrophobicContact CD2-CD2 4.36Å; F263-F267 AromaticContact CD2-CE2 3.39Å; F263-F267 HydrophobicContact CD2-CE2 3.39Å; F263-F267 AromaticContact CD2-CZ 3.66Å; F263-F267 HydrophobicContact CD2-CZ 3.66Å; F263-F267 AromaticContact CE2-CD2 3.93Å; F263-F267 HydrophobicContact CE2-CD2 3.93Å; F263-F267 AromaticContact CE2-CE2 3.4Å; F263-F267 HydrophobicContact CE2-CE2 3.4Å; F263-F267 HydrophobicContact CE2-CZ 4.02Å; F263-L290 HydrophobicContact CE2-CD2 4.23Å; F263-L290 HydrophobicContact CZ-CD2 4.05Å; F263-S292 WeakPolarHBondContact O-CB 3.34Å; F263-S292 PolarHBondContact O-OG 2.83Å; F263-I300 HydrophobicContact CZ-CD1 4.47Å; F263-M350 HydrophobicContact CD1-CE 4.32Å; F263-M350 HydrophobicContact CE1-CE 3.43Å; F263-M350 VanDerWaalsContact CE1-CE 3.43Å; F263-M350 HydrophobicContact CE1-SD 3.87Å; F263-M350 HydrophobicContact CZ-CE 4.1Å; F263-M350 HydrophobicContact CZ-SD 4.11Å; F263-F352 HydrophobicContact CD1-CD1 4.41Å; F263-F352 AromaticContact CD1-CE1 3.77Å; F263-F352 HydrophobicContact CD1-CE1 3.77Å; F263-F352 HydrophobicContact CD1-CE2 4.24Å; F263-F352 AromaticContact CD1-CZ 3.67Å; F263-F352 HydrophobicContact CD1-CZ 3.67Å; F263-F352 HydrophobicContact CE1-CD1 4.28Å; F263-F352 AromaticContact CE1-CE1 3.95Å; F263-F352 HydrophobicContact CE1-CE1 3.95Å; F263-F352 HydrophobicContact CE1-CZ 4.31Å; F263-I355 HydrophobicContact CB-CD1 3.31Å; F263-I355 HydrophobicContact CB-CG1 3.68Å; F263-I355 HydrophobicContact CB-CG2 4.26Å; F263-I355 HydrophobicContact CD1-CG1 4.48Å; F263-I355 HydrophobicContact CG-CD1 4.34Å; F263-I355 HydrophobicContact CG-CG1 4.23Å; F263-L372 HydrophobicContact CE1-CD1 4.36Å; F263-L372 HydrophobicContact CZ-CD1 4.4Å
264	V	85.9	Confident	77.8	Confident	72 Å²	72	40 Å²	40	44%	0.436	21%	0.214	S	C	.	.			trans	-127.3	136.7	-178.4	-178.6	0	0	0	0	110	S292 D293 R422	V264-S292 WeakPolarHBondContact CA-O 3.47Å; V264-D293 WeakPolarHBondContact CG1-O 3.25Å; V264-D293 HydrophobicContact CG2-CB 4.09Å; V264-R422 PolarHBondContact O-NH1 3.47Å
265	G	87.1	Confident	78.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.8	177.5	174.5	0	0	0	0	0	113.8	F267 S292 C543	G265-F267 WeakPolarHBondContact O-CD2 3.49Å; G265-F267 VanDerWaalsContact O-CE2 3.29Å; G265-F267 WeakPolarHBondContact O-CE2 3.34Å; G265-S292 PolarHBondContact N-O 3.21Å; G265-S292 PolarHBondContact O-N 3.27Å; G265-C543 VanDerWaalsContact CA-SG 3.51Å
266	G	86.9	Confident	79.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.7	170.8	0	0	0	0	0	111.3	L290 A423 N541 G542 C543	G266-L290 CarbonylContact C-O 3.56Å; G266-L290 WeakPolarHBondContact CA-O 3.33Å; G266-A423 WeakPolarHBondContact O-CB 3.32Å; G266-A423 PolarHBondContact O-N 2.86Å; G266-A423 VanDerWaalsContact O-N 3.15Å; G266-N541 PolarHBondContact N-O 3.08Å; G266-G542 WeakPolarHBondContact CA-O 2.88Å; G266-C543 PolarHBondContact N-SG 3.5Å; G266-C543 VanDerWaalsContact N-SG 3.37Å
267	F	87.2	Confident	80.2	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.6	-175.8	-54.5	-89.8	0	0	0	110.1	F263 G265 T289 L290 I355 P356 I420 R421	F263-F267 HydrophobicContact CD2-CD2 4.36Å; F263-F267 AromaticContact CD2-CE2 3.39Å; F263-F267 HydrophobicContact CD2-CE2 3.39Å; F263-F267 AromaticContact CD2-CZ 3.66Å; F263-F267 HydrophobicContact CD2-CZ 3.66Å; F263-F267 AromaticContact CE2-CD2 3.93Å; F263-F267 HydrophobicContact CE2-CD2 3.93Å; F263-F267 AromaticContact CE2-CE2 3.4Å; F263-F267 HydrophobicContact CE2-CE2 3.4Å; F263-F267 HydrophobicContact CE2-CZ 4.02Å; G265-F267 WeakPolarHBondContact O-CD2 3.49Å; G265-F267 VanDerWaalsContact O-CE2 3.29Å; G265-F267 WeakPolarHBondContact O-CE2 3.34Å; F267-T289 CarbonylContact O-C 2.93Å; F267-T289 VanDerWaalsContact O-CA 3.32Å; F267-T289 WeakPolarHBondContact O-CA 3.4Å; F267-L290 HydrophobicContact CB-CB 4.18Å; F267-L290 HydrophobicContact CB-CD2 4.35Å; F267-L290 HydrophobicContact CB-CG 4.38Å; F267-L290 HydrophobicContact CD2-CD2 4.26Å; F267-L290 HydrophobicContact CD2-CG 4.17Å; F267-L290 PolarHBondContact N-O 3.23Å; F267-L290 PolarHBondContact O-N 2.92Å; F267-I355 HydrophobicContact CE1-CG2 3.6Å; F267-I355 HydrophobicContact CZ-CG2 3.6Å; F267-P356 HydrophobicContact CD1-CB 4.47Å; F267-P356 HydrophobicContact CD1-CG 4.12Å; F267-P356 HydrophobicContact CE1-CB 4.4Å; F267-P356 HydrophobicContact CE1-CG 4.23Å; F267-I420 HydrophobicContact CB-CB 4.41Å; F267-I420 HydrophobicContact CD1-CD1 4.27Å; F267-R421 CarbonylContact C-O 3.54Å; F267-R421 VanDerWaalsContact CA-O 3.24Å; F267-R421 WeakPolarHBondContact CA-O 3.12Å; F267-R421 WeakPolarHBondContact CB-O 3.2Å
268	Q	84.1	Confident	80.3	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133	170.2	-166.3	-161	-22.3	0	0	108.9	Q285 I420 R421	Q268-Q285 VanDerWaalsContact NE2-C 3.26Å; Q268-Q285 PolarHBondContact NE2-O 2.84Å; Q268-I420 CarbonylContact O-C 3.52Å; Q268-I420 VanDerWaalsContact O-CA 3.31Å; Q268-I420 WeakPolarHBondContact O-CA 3.47Å; Q268-R421 HydrophobicContact CB-CG 4.14Å; Q268-R421 PolarHBondContact N-O 3.33Å; Q268-R421 PolarHBondContact O-N 2.02Å; Q268-R421 VanDerWaalsContact OE1-CZ 3.29Å
269	I	86.7	Confident	80.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.4	169.9	-57.8	160.9	0	0	0	107.1	Y284 A288 L290 W302 F304 L418 Q419 I420	I269-Y284 HydrophobicContact CG2-CD2 4.1Å; I269-Y284 HydrophobicContact CG2-CE2 4.24Å; I269-Y284 WeakPolarHBondContact O-CB 3.05Å; I269-A288 HydrophobicContact CB-CB 3.7Å; I269-A288 HydrophobicContact CD1-CB 4.11Å; I269-A288 HydrophobicContact CG1-CB 4.42Å; I269-A288 HydrophobicContact CG2-CB 4.25Å; I269-A288 PolarHBondContact N-O 2.81Å; I269-L290 HydrophobicContact CD1-CB 4.4Å; I269-L290 HydrophobicContact CG1-CB 4.39Å; I269-W302 HydrophobicContact CD1-CE3 4.12Å; I269-W302 HydrophobicContact CD1-CZ3 4.39Å; I269-F304 HydrophobicContact CD1-CE1 3.97Å; I269-F304 HydrophobicContact CD1-CZ 4.34Å; I269-L418 HydrophobicContact CD1-CD2 3.91Å; I269-L418 HydrophobicContact CG1-CD2 4.19Å; I269-L418 HydrophobicContact CG2-CB 4.45Å; I269-L418 HydrophobicContact CG2-CD2 4.03Å; I269-Q419 CarbonylContact C-O 3.57Å; I269-Q419 WeakPolarHBondContact CA-O 3.32Å; I269-I420 HydrophobicContact CG1-CG2 4.2Å
270	T	82.1	Confident	80.1	Confident	30 Å²	30	40.2 Å²	40.2	18%	0.184	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-25.9	-178.7	59.5	0	0	0	0	113.1	Y284 Q419 R421	T270-Y284 PolarHBondContact O-N 2.73Å; T270-Q419 PolarHBondContact N-O 3.09Å; T270-Q419 WeakPolarHBondContact OG1-CB 3.22Å; T270-Q419 PolarHBondContact OG1-O 3.14Å; T270-R421 HydrophobicContact CG2-CG 3.98Å
271	S	87.3	Confident	80	Confident	21 Å²	21	40.2 Å²	40.2	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	145.3	176.9	64.9	0	0	0	0	110.6	L418 Q419	S271-L418 WeakPolarHBondContact O-CA 3.49Å; S271-Q419 PolarHBondContact O-N 2.86Å; S271-Q419 WeakPolarHBondContact OG-CB 3.21Å; S271-Q419 WeakPolarHBondContact OG-CG 2.92Å
272	L	88.1	Confident	79.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.6	170.3	173.6	68.7	0	0	0	108.9	P280 I281 C282 Y284 C309 I311 Y416 L418	L272-P280 CarbonylContact O-C 3.56Å; L272-P280 WeakPolarHBondContact O-CA 3.14Å; L272-I281 HydrophobicContact CD2-CB 4.14Å; L272-I281 HydrophobicContact CD2-CD1 4.18Å; L272-I281 HydrophobicContact CD2-CG2 4.33Å; L272-I281 HydrophobicContact CG-CB 4.2Å; L272-I281 HydrophobicContact CG-CD1 4.11Å; L272-I281 HydrophobicContact CG-CG1 4.48Å; L272-I281 PolarHBondContact O-N 2.75Å; L272-C282 PolarHBondContact N-O 2.76Å; L272-C282 PolarHBondContact O-N 2.89Å; L272-Y284 HydrophobicContact CB-CE2 4.18Å; L272-C309 HydrophobicContact CD2-CB 4.48Å; L272-C309 WeakPolarHBondContact CD2-O 3.42Å; L272-I311 HydrophobicContact CD1-CG2 3.9Å; L272-I311 HydrophobicContact CD2-CG2 3.7Å; L272-I311 HydrophobicContact CG-CG2 4.36Å; L272-Y416 HydrophobicContact CD1-CD1 4.38Å; L272-L418 HydrophobicContact CD1-CD1 3.96Å; L272-L418 HydrophobicContact CD1-CD2 4.33Å; L272-L418 HydrophobicContact CD1-CG 3.76Å
273	T	84.1	Confident	78.9	Confident	13 Å²	13	46 Å²	46	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	-179.9	46.6	0	0	0	0	109.9	P280 Y416 R417	T273-P280 HydrophobicContact CG2-CB 4.09Å; T273-Y416 WeakPolarHBondContact O-CA 2.81Å; T273-R417 PolarHBondContact N-O 3.34Å; T273-R417 PolarHBondContact O-N 2.76Å; T273-R417 WeakPolarHBondContact OG1-CB 3.34Å; T273-R417 PolarHBondContact OG1-O 2.77Å; T273-R417 VanDerWaalsContact OG1-O 3.08Å
274	R	77.2	Confident	77.9	Confident	98 Å²	98	46.5 Å²	46.5	37%	0.37	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.7	165.8	-171.1	-179.5	-174.6	165.7	1.9	107.8	S276 S277 E278 I281 P414	R274-S276 VanDerWaalsContact C-N 3.27Å; R274-S276 PolarHBondContact NE-OG 3.49Å; R274-S276 PolarHBondContact O-N 2.86Å; R274-S277 PolarHBondContact O-N 3.32Å; R274-E278 PolarHBondContact O-N 3.32Å; R274-E278 VanDerWaalsContact O-N 3.17Å; R274-I281 HydrophobicContact CB-CD1 4.04Å; R274-I281 HydrophobicContact CB-CG1 4.25Å; R274-P414 HydrophobicContact CG-CB 4.46Å
275	V	74	Confident	76.5	Confident	30 Å²	30	51.4 Å²	51.4	18%	0.182	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.3	-172.3	-179.1	0	0	0	0	111.5	S277 W405 A415 R417	V275-S277 PolarHBondContact O-N 2.85Å; V275-W405 HydrophobicContact CB-CZ3 4.48Å; V275-W405 HydrophobicContact CG1-CE3 4.49Å; V275-W405 HydrophobicContact CG1-CZ3 3.68Å; V275-A415 HydrophobicContact CB-CB 4.21Å; V275-A415 HydrophobicContact CG2-CB 3.96Å; V275-A415 WeakPolarHBondContact CG2-O 3.31Å; V275-A415 PolarHBondContact N-O 3.04Å; V275-R417 HydrophobicContact CG2-CB 4.09Å
276	S	65.7	Low	75.1	Confident	51 Å²	51	52.3 Å²	52.3	36%	0.357	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.9	-178.1	60.6	0	0	0	0	115.4	R274	R274-S276 VanDerWaalsContact C-N 3.27Å; R274-S276 PolarHBondContact NE-OG 3.49Å; R274-S276 PolarHBondContact O-N 2.86Å
277	S	66.5	Low	74	Confident	61 Å²	61	53.8 Å²	53.8	43%	0.427	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-12.2	-177.5	64.8	0	0	0	0	114	R274 V275 K279	R274-S277 PolarHBondContact O-N 3.32Å; V275-S277 PolarHBondContact O-N 2.85Å; S277-K279 PolarHBondContact O-N 2.87Å
278	E	63	Low	73.6	Confident	111 Å²	111	53.8 Å²	53.8	52%	0.519	27%	0.274	S	S	.	.			trans	51.6	-16.5	-170	-60.6	-154.8	148.2	0	0	117	R274	R274-E278 PolarHBondContact O-N 3.32Å; R274-E278 VanDerWaalsContact O-N 3.17Å
279	K	65.7	Low	73.6	Confident	159 Å²	159	54.1 Å²	54.1	69%	0.691	28%	0.276	S	S	*	.	S	Bend	trans	-68.4	134.3	174.8	-68.2	-176	-179.1	-179.1	0	110.5	S277 I281	S277-K279 PolarHBondContact O-N 2.87Å; K279-I281 PolarHBondContact O-N 2.82Å
280	P	70.1	Confident	73.7	Confident	61 Å²	61	54.1 Å²	54.1	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.3	172.4	25.4	-31.3	0	0	0	109.3	L272 T273 E283	L272-P280 CarbonylContact O-C 3.56Å; L272-P280 WeakPolarHBondContact O-CA 3.14Å; T273-P280 HydrophobicContact CG2-CB 4.09Å; P280-E283 HydrophobicContact CB-CG 3.6Å; P280-E283 HydrophobicContact CG-CG 3.88Å
281	I	76.3	Confident	74	Confident	75 Å²	75	53 Å²	53	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-49.1	169.3	-54.3	179.7	0	0	0	107.4	L272 R274 K279 Y416	L272-I281 HydrophobicContact CD2-CB 4.14Å; L272-I281 HydrophobicContact CD2-CD1 4.18Å; L272-I281 HydrophobicContact CD2-CG2 4.33Å; L272-I281 HydrophobicContact CG-CB 4.2Å; L272-I281 HydrophobicContact CG-CD1 4.11Å; L272-I281 HydrophobicContact CG-CG1 4.48Å; L272-I281 PolarHBondContact O-N 2.75Å; R274-I281 HydrophobicContact CB-CD1 4.04Å; R274-I281 HydrophobicContact CB-CG1 4.25Å; K279-I281 PolarHBondContact O-N 2.82Å; I281-Y416 HydrophobicContact CD1-CD1 3.63Å; I281-Y416 HydrophobicContact CD1-CE1 3.56Å
282	C	80.8	Confident	74.1	Confident	22 Å²	22	52 Å²	52	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134.8	177.9	-55.6	0	0	0	0	109.3	L272 Y284 C309	L272-C282 PolarHBondContact N-O 2.76Å; L272-C282 PolarHBondContact O-N 2.89Å; C282-Y284 HydrophobicContact CB-CE1 3.83Å; C282-Y284 HydrophobicContact CB-CE2 3.84Å; C282-Y284 VanDerWaalsContact CB-CZ 3.42Å; C282-Y284 WeakPolarHBondContact CB-OH 3.37Å; C282-C309 HydrophobicContact CB-CB 3.87Å; C282-C309 WeakPolarHBondContact CB-SG 2.91Å; C282-C309 WeakPolarHBondContact SG-CB 3.48Å; C282-C309 CovalentContact SG-SG 2.02Å; C282-C309 PolarHBondContact SG-SG 2.83Å
283	E	70.2	Confident	73.9	Confident	153 Å²	153	52.2 Å²	52.2	72%	0.715	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.8	169.8	-67.5	-167.3	157.9	0	0	109.2	P280	P280-E283 HydrophobicContact CB-CG 3.6Å; P280-E283 HydrophobicContact CG-CG 3.88Å
284	Y	67.8	Low	73.6	Confident	16 Å²	16	52.6 Å²	52.6	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.6	-174.3	-55.2	-71	0	0	0	110.7	I269 T270 L272 C282 A288 F304 D305 C309	I269-Y284 HydrophobicContact CG2-CD2 4.1Å; I269-Y284 HydrophobicContact CG2-CE2 4.24Å; I269-Y284 WeakPolarHBondContact O-CB 3.05Å; T270-Y284 PolarHBondContact O-N 2.73Å; L272-Y284 HydrophobicContact CB-CE2 4.18Å; C282-Y284 HydrophobicContact CB-CE1 3.83Å; C282-Y284 HydrophobicContact CB-CE2 3.84Å; C282-Y284 VanDerWaalsContact CB-CZ 3.42Å; C282-Y284 WeakPolarHBondContact CB-OH 3.37Å; Y284-A288 HydrophobicContact CD1-CB 3.94Å; Y284-A288 HydrophobicContact CD2-CB 3.57Å; Y284-A288 HydrophobicContact CE1-CB 4Å; Y284-A288 HydrophobicContact CE2-CB 3.61Å; Y284-A288 HydrophobicContact CG-CB 3.68Å; Y284-F304 WeakPolarHBondContact OH-CD1 3.3Å; Y284-D305 WeakPolarHBondContact CE1-OD1 3.43Å; Y284-C309 WeakPolarHBondContact OH-CB 3.22Å; Y284-C309 PolarHBondContact OH-SG 3.05Å; Y284-C309 VanDerWaalsContact OH-SG 3.33Å
285	Q	55.9	Low	73.3	Confident	175 Å²	175	49.3 Å²	49.3	82%	0.818	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	-27	168	-68.7	-174	-9	0	0	112	Q268	Q268-Q285 VanDerWaalsContact NE2-C 3.26Å; Q268-Q285 PolarHBondContact NE2-O 2.84Å
286	T	57.5	Low	72.9	Confident	19 Å²	19	51 Å²	51	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-41.7	-170.3	37	0	0	0	0	115.7	A288 T432	T286-A288 PolarHBondContact O-N 2.68Å; T286-T432 PolarHBondContact OG1-OG1 2.76Å
287	F	63.3	Low	72.9	Confident	33 Å²	33	52.2 Å²	52.2	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	7.7	-155.4	-90.2	-89.3	0	0	0	119.5	D305 D429 T432	F287-D305 HydrophobicContact CB-CB 3.88Å; F287-D429 HydrophobicContact CE1-CB 4.14Å; F287-D429 HydrophobicContact CZ-CB 4.24Å; F287-D429 WeakPolarHBondContact CZ-O 3.43Å; F287-T432 HydrophobicContact CE2-CG2 4.34Å; F287-T432 WeakPolarHBondContact CE2-OG1 3.01Å
288	A	78.6	Confident	73.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.7	169.9	0	0	0	0	0	109.2	I269 Y284 T286 T303 F304	I269-A288 HydrophobicContact CB-CB 3.7Å; I269-A288 HydrophobicContact CD1-CB 4.11Å; I269-A288 HydrophobicContact CG1-CB 4.42Å; I269-A288 HydrophobicContact CG2-CB 4.25Å; I269-A288 PolarHBondContact N-O 2.81Å; Y284-A288 HydrophobicContact CD1-CB 3.94Å; Y284-A288 HydrophobicContact CD2-CB 3.57Å; Y284-A288 HydrophobicContact CE1-CB 4Å; Y284-A288 HydrophobicContact CE2-CB 3.61Å; Y284-A288 HydrophobicContact CG-CB 3.68Å; T286-A288 PolarHBondContact O-N 2.68Å; A288-T303 CarbonylContact C-O 3.52Å; A288-T303 VanDerWaalsContact CA-O 3.3Å; A288-T303 WeakPolarHBondContact CA-O 3.45Å; A288-F304 HydrophobicContact CB-CD1 4.16Å
289	T	84.2	Confident	74.3	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.3	-176.7	62.6	0	0	0	0	112.1	F267 T303	F267-T289 CarbonylContact O-C 2.93Å; F267-T289 VanDerWaalsContact O-CA 3.32Å; F267-T289 WeakPolarHBondContact O-CA 3.4Å; T289-T303 PolarHBondContact N-O 3.01Å; T289-T303 PolarHBondContact O-N 2.77Å
290	L	88.9	Confident	75.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.9	-179.9	161.1	64.3	0	0	0	107.2	F263 G266 F267 I269 I300 W302 I420	F263-L290 HydrophobicContact CE2-CD2 4.23Å; F263-L290 HydrophobicContact CZ-CD2 4.05Å; G266-L290 CarbonylContact C-O 3.56Å; G266-L290 WeakPolarHBondContact CA-O 3.33Å; F267-L290 HydrophobicContact CB-CB 4.18Å; F267-L290 HydrophobicContact CB-CD2 4.35Å; F267-L290 HydrophobicContact CB-CG 4.38Å; F267-L290 HydrophobicContact CD2-CD2 4.26Å; F267-L290 HydrophobicContact CD2-CG 4.17Å; F267-L290 PolarHBondContact N-O 3.23Å; F267-L290 PolarHBondContact O-N 2.92Å; I269-L290 HydrophobicContact CD1-CB 4.4Å; I269-L290 HydrophobicContact CG1-CB 4.39Å; L290-I300 HydrophobicContact CD1-CG2 3.1Å; L290-W302 HydrophobicContact CB-CE3 4.25Å; L290-W302 HydrophobicContact CB-CZ3 4.23Å; L290-W302 HydrophobicContact CD1-CD2 3.83Å; L290-W302 HydrophobicContact CD1-CE3 3.74Å; L290-W302 HydrophobicContact CD1-CH2 3.59Å; L290-W302 HydrophobicContact CD1-CZ2 3.71Å; L290-W302 HydrophobicContact CD1-CZ3 3.62Å; L290-W302 HydrophobicContact CD2-CH2 3.88Å; L290-W302 HydrophobicContact CD2-CZ3 3.83Å; L290-W302 HydrophobicContact CG-CE3 4.42Å; L290-W302 HydrophobicContact CG-CH2 4.31Å; L290-W302 HydrophobicContact CG-CZ3 4.1Å; L290-I420 HydrophobicContact CD2-CD1 4.5Å; L290-I420 HydrophobicContact CD2-CG2 4.18Å
291	E	87.9	Confident	76.4	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.3	175.1	-70.4	-162.8	151.4	0	0	110.3	I300 E301 Q544 R546 K578	E291-I300 CarbonylContact O-C 3.52Å; E291-I300 VanDerWaalsContact O-CA 3.3Å; E291-I300 WeakPolarHBondContact O-CA 2.96Å; E291-E301 PolarHBondContact N-O 3.48Å; E291-E301 PolarHBondContact O-N 3.19Å; E291-Q544 WeakPolarHBondContact OE1-CA 3.42Å; E291-Q544 WeakPolarHBondContact OE1-CB 3.37Å; E291-Q544 WeakPolarHBondContact OE1-CG 3.23Å; E291-Q544 PolarHBondContact OE1-N 2.67Å; E291-R546 IonicContact OE1-NH1 2.7Å; E291-R546 IonicContact OE2-CZ 2.74Å; E291-R546 IonicContact OE2-NH1 3.39Å; E291-R546 PolarHBondContact OE2-NH1 3.19Å; E291-R546 IonicContact OE2-NH2 2.71Å; E291-R546 PolarHBondContact OE2-NH2 3.43Å; E291-K578 WeakPolarHBondContact OE2-CE 3.22Å; E291-K578 IonicContact OE2-NZ 2.67Å; E291-K578 PolarHBondContact OE2-NZ 3.2Å
292	S	90	Very high	77	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.7	-179.9	-177.1	0	0	0	0	110.2	C261 F263 V264 G265 C294 G299	C261-S292 WeakPolarHBondContact CB-OG 3.33Å; F263-S292 WeakPolarHBondContact O-CB 3.34Å; F263-S292 PolarHBondContact O-OG 2.83Å; V264-S292 WeakPolarHBondContact CA-O 3.47Å; G265-S292 PolarHBondContact N-O 3.21Å; G265-S292 PolarHBondContact O-N 3.27Å; S292-C294 PolarHBondContact O-N 2.78Å; S292-G299 CarbonylContact C-O 3.59Å; S292-G299 WeakPolarHBondContact CA-O 3.07Å
293	D	83.3	Confident	77.1	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	44.7	33.8	176.5	-89.3	-30.2	0	0	0	114	C261 V264 V295 N297 E298 G299	C261-D293 WeakPolarHBondContact CB-OD2 3.19Å; C261-D293 PolarHBondContact N-OD2 3.29Å; V264-D293 WeakPolarHBondContact CG1-O 3.25Å; V264-D293 HydrophobicContact CG2-CB 4.09Å; D293-V295 CarbonylContact C-O 3.57Å; D293-V295 CarbonylContact O-C 3.59Å; D293-V295 PolarHBondContact O-N 2.85Å; D293-V295 VanDerWaalsContact O-N 3.15Å; D293-N297 PolarHBondContact OD1-N 3.17Å; D293-E298 PolarHBondContact OD1-N 2.87Å; D293-G299 PolarHBondContact N-O 3.29Å; D293-G299 PolarHBondContact OD1-N 3.24Å
294	C	78.4	Confident	77.6	Confident	21 Å²	21	26.1 Å²	26.1	14%	0.142	13%	0.133	C	C	.	.	S	Bend	trans	-54.6	-32.8	174.3	-74.2	0	0	0	0	111.8	S292 C543	S292-C294 PolarHBondContact O-N 2.78Å; C294-C543 WeakPolarHBondContact CA-SG 3.28Å; C294-C543 HydrophobicContact CB-CB 3.58Å; C294-C543 WeakPolarHBondContact CB-SG 3.42Å; C294-C543 WeakPolarHBondContact SG-CB 3.24Å; C294-C543 CovalentContact SG-SG 2.02Å; C294-C543 PolarHBondContact SG-SG 2.83Å
295	V	70.9	Confident	77.8	Confident	28 Å²	28	28.8 Å²	28.8	17%	0.17	15%	0.149	C	C	.	.	S	Bend	trans	-116.1	137.3	152.1	-176.7	0	0	0	0	107.2	D293 N297 E298 R546	D293-V295 CarbonylContact C-O 3.57Å; D293-V295 CarbonylContact O-C 3.59Å; D293-V295 PolarHBondContact O-N 2.85Å; D293-V295 VanDerWaalsContact O-N 3.15Å; V295-N297 PolarHBondContact O-N 2.97Å; V295-E298 VanDerWaalsContact CB-CD 3.41Å; V295-E298 HydrophobicContact CB-CG 3.82Å; V295-E298 WeakPolarHBondContact CB-OE1 3.16Å; V295-E298 HydrophobicContact CG1-CG 4.47Å; V295-E298 WeakPolarHBondContact CG2-OE1 3.22Å; V295-E298 WeakPolarHBondContact O-CB 3.42Å; V295-E298 PolarHBondContact O-N 3.32Å; V295-R546 HydrophobicContact CG2-CG 3.5Å; V295-R546 VanDerWaalsContact CG2-CG 3.5Å
296	I	65.8	Low	78.8	Confident	67 Å²	67	23.5 Å²	23.5	34%	0.344	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.2	-177.9	-64.2	166.4	0	0	0	110	F258 E298 S595 N598	F258-I296 HydrophobicContact CE1-CG2 4.2Å; F258-I296 HydrophobicContact CE2-CG2 3.77Å; F258-I296 HydrophobicContact CZ-CG2 3.4Å; F258-I296 VanDerWaalsContact CZ-CG2 3.4Å; I296-E298 VanDerWaalsContact C-N 3.27Å; I296-S595 PolarHBondContact O-OG 3.04Å; I296-N598 WeakPolarHBondContact CB-OD1 3.37Å; I296-N598 WeakPolarHBondContact CD1-OD1 3.42Å; I296-N598 HydrophobicContact CG2-CB 4.09Å; I296-N598 VanDerWaalsContact CG2-CG 3.46Å; I296-N598 WeakPolarHBondContact CG2-OD1 3.23Å
297	N	65.7	Low	79.8	Confident	76 Å²	76	24.9 Å²	24.9	41%	0.406	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	17.1	-177.4	-160.2	39.9	0	0	0	114.2	F258 D293 V295 G299	F258-N297 HydrophobicContact CD2-CB 3.64Å; F258-N297 VanDerWaalsContact CD2-OD1 3.3Å; F258-N297 WeakPolarHBondContact CD2-OD1 3.5Å; F258-N297 HydrophobicContact CE2-CB 3.53Å; D293-N297 PolarHBondContact OD1-N 3.17Å; V295-N297 PolarHBondContact O-N 2.97Å; N297-G299 VanDerWaalsContact C-N 3.29Å
298	E	74.7	Confident	80.6	Confident	31 Å²	31	31.4 Å²	31.4	15%	0.145	16%	0.163	C	C	.	.			trans	-80.4	-15.1	160.3	-75.9	-178.1	177.4	0	0	110.5	D293 V295 I296 H319 R546 S576	D293-E298 PolarHBondContact OD1-N 2.87Å; V295-E298 VanDerWaalsContact CB-CD 3.41Å; V295-E298 HydrophobicContact CB-CG 3.82Å; V295-E298 WeakPolarHBondContact CB-OE1 3.16Å; V295-E298 HydrophobicContact CG1-CG 4.47Å; V295-E298 WeakPolarHBondContact CG2-OE1 3.22Å; V295-E298 WeakPolarHBondContact O-CB 3.42Å; V295-E298 PolarHBondContact O-N 3.32Å; I296-E298 VanDerWaalsContact C-N 3.27Å; E298-H319 PolarHBondContact O-CE1 3.06Å; E298-H319 PolarHBondContact O-NE2 2.74Å; E298-R546 IonicContact OE1-NE 3.54Å; E298-R546 IonicContact OE2-CZ 2.86Å; E298-R546 IonicContact OE2-NE 3.51Å; E298-R546 PolarHBondContact OE2-NE 3.41Å; E298-R546 IonicContact OE2-NH2 3.87Å; E298-R546 PolarHBondContact OE2-NH2 2.92Å; E298-S576 PolarHBondContact OE1-OG 2.04Å
299	G	84.8	Confident	80.8	Confident	5 Å²	5	31.6 Å²	31.6	5%	0.052	17%	0.165	C	C	.	.			trans	68.9	-136.7	-177.1	0	0	0	0	0	110.6	S292 D293 N297 H320	S292-G299 CarbonylContact C-O 3.59Å; S292-G299 WeakPolarHBondContact CA-O 3.07Å; D293-G299 PolarHBondContact N-O 3.29Å; D293-G299 PolarHBondContact OD1-N 3.24Å; N297-G299 VanDerWaalsContact C-N 3.29Å; G299-H320 CarbonylContact C-O 3.59Å
300	I	90.6	Very high	80.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.5	-173.5	-52.6	-168.8	0	0	0	110.5	C261 F263 L290 E291 W302 H319 H320 L336 M350	C261-I300 HydrophobicContact CB-CG1 4.48Å; C261-I300 VanDerWaalsContact SG-CG1 3.57Å; F263-I300 HydrophobicContact CZ-CD1 4.47Å; L290-I300 HydrophobicContact CD1-CG2 3.1Å; E291-I300 CarbonylContact O-C 3.52Å; E291-I300 VanDerWaalsContact O-CA 3.3Å; E291-I300 WeakPolarHBondContact O-CA 2.96Å; I300-W302 HydrophobicContact CG2-CD2 4.35Å; I300-W302 HydrophobicContact CG2-CZ2 3.81Å; I300-H319 WeakPolarHBondContact O-CA 3.47Å; I300-H320 PolarHBondContact N-O 3.02Å; I300-H320 PolarHBondContact O-N 3.2Å; I300-L336 HydrophobicContact CD1-CD2 3.69Å; I300-M350 HydrophobicContact CD1-CE 3.88Å; I300-M350 HydrophobicContact CD1-SD 4.24Å
301	E	88.8	Confident	80.5	Confident	41 Å²	41	33 Å²	33	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.4	169.9	-166.6	-176	109.5	0	0	110.8	E291 T303 I317 S318 K578	E291-E301 PolarHBondContact N-O 3.48Å; E291-E301 PolarHBondContact O-N 3.19Å; E301-T303 PolarHBondContact OE1-OG1 2.87Å; E301-I317 HydrophobicContact CG-CG2 3.65Å; E301-S318 WeakPolarHBondContact CA-O 3.4Å; E301-K578 VanDerWaalsContact OE1-CD 3.29Å; E301-K578 WeakPolarHBondContact OE1-CD 3.48Å; E301-K578 WeakPolarHBondContact OE1-CE 3.3Å; E301-K578 IonicContact OE1-NZ 3.79Å; E301-K578 PolarHBondContact OE1-NZ 3.37Å; E301-K578 VanDerWaalsContact OE2-CE 3.31Å; E301-K578 WeakPolarHBondContact OE2-CE 3.32Å; E301-K578 IonicContact OE2-NZ 3.85Å
302	W	88.2	Confident	80.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.3	175.4	-52.2	81.4	0	0	0	108.2	I269 L290 I300 F304 F312 I317 S318 H320 L336 M350 L372 I374 L418	I269-W302 HydrophobicContact CD1-CE3 4.12Å; I269-W302 HydrophobicContact CD1-CZ3 4.39Å; L290-W302 HydrophobicContact CB-CE3 4.25Å; L290-W302 HydrophobicContact CB-CZ3 4.23Å; L290-W302 HydrophobicContact CD1-CD2 3.83Å; L290-W302 HydrophobicContact CD1-CE3 3.74Å; L290-W302 HydrophobicContact CD1-CH2 3.59Å; L290-W302 HydrophobicContact CD1-CZ2 3.71Å; L290-W302 HydrophobicContact CD1-CZ3 3.62Å; L290-W302 HydrophobicContact CD2-CH2 3.88Å; L290-W302 HydrophobicContact CD2-CZ3 3.83Å; L290-W302 HydrophobicContact CG-CE3 4.42Å; L290-W302 HydrophobicContact CG-CH2 4.31Å; L290-W302 HydrophobicContact CG-CZ3 4.1Å; I300-W302 HydrophobicContact CG2-CD2 4.35Å; I300-W302 HydrophobicContact CG2-CZ2 3.81Å; W302-F304 HydrophobicContact CB-CD2 4.47Å; W302-F304 HydrophobicContact CB-CE2 3.68Å; W302-F304 HydrophobicContact CB-CZ 4.22Å; W302-F304 HydrophobicContact CE3-CZ 4.47Å; W302-F312 HydrophobicContact CB-CE2 4.04Å; W302-F312 AromaticContact CD1-CE2 3.68Å; W302-F312 AromaticContact CD2-CE2 3.56Å; W302-F312 HydrophobicContact CD2-CE2 3.56Å; W302-F312 AromaticContact CD2-CZ 3.85Å; W302-F312 HydrophobicContact CD2-CZ 3.85Å; W302-F312 AromaticContact CE2-CE2 3.85Å; W302-F312 AromaticContact CE2-CZ 3.68Å; W302-F312 HydrophobicContact CE3-CE2 4.15Å; W302-F312 HydrophobicContact CE3-CZ 4.38Å; W302-F312 HydrophobicContact CG-CD2 4.3Å; W302-F312 AromaticContact CG-CE2 3.48Å; W302-F312 HydrophobicContact CG-CE2 3.48Å; W302-F312 VanDerWaalsContact CG-CE2 3.48Å; W302-F312 HydrophobicContact CG-CZ 4.16Å; W302-F312 HydrophobicContact CZ2-CZ 4.12Å; W302-F312 AromaticContact NE1-CE2 3.85Å; W302-F312 AromaticContact NE1-CZ 3.83Å; W302-I317 VanDerWaalsContact O-CA 3.29Å; W302-I317 WeakPolarHBondContact O-CA 3.27Å; W302-S318 PolarHBondContact N-O 2.9Å; W302-S318 PolarHBondContact O-N 2.92Å; W302-H320 AromaticContact CD1-ND1 3.42Å; W302-H320 AromaticContact NE1-ND1 3.4Å; W302-H320 PolarHBondContact NE1-ND1 2.76Å; W302-L336 HydrophobicContact CZ2-CD1 4.03Å; W302-M350 HydrophobicContact CH2-SD 4.25Å; W302-M350 HydrophobicContact CZ2-SD 4.21Å; W302-L372 HydrophobicContact CH2-CD2 4.1Å; W302-I374 HydrophobicContact CH2-CD1 3.43Å; W302-I374 VanDerWaalsContact CH2-CD1 3.43Å; W302-I374 HydrophobicContact CZ2-CD1 3.84Å; W302-I374 HydrophobicContact CZ3-CD1 3.9Å; W302-L418 HydrophobicContact CZ3-CD2 3.97Å
303	T	83.5	Confident	79.7	Confident	15 Å²	15	35.6 Å²	35.6	9%	0.092	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	175.3	-56.4	0	0	0	0	109.3	A288 T289 E301 S316 I317	A288-T303 CarbonylContact C-O 3.52Å; A288-T303 VanDerWaalsContact CA-O 3.3Å; A288-T303 WeakPolarHBondContact CA-O 3.45Å; T289-T303 PolarHBondContact N-O 3.01Å; T289-T303 PolarHBondContact O-N 2.77Å; E301-T303 PolarHBondContact OE1-OG1 2.87Å; T303-S316 WeakPolarHBondContact CA-O 3.11Å; T303-I317 HydrophobicContact CG2-CG1 4.28Å
304	F	80.9	Confident	79.3	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.216	C	C	.	.			trans	-122.6	144	176.3	-56.9	-85.1	0	0	0	108.7	I269 Y284 A288 W302 C309 N310 F312 S316	I269-F304 HydrophobicContact CD1-CE1 3.97Å; I269-F304 HydrophobicContact CD1-CZ 4.34Å; Y284-F304 WeakPolarHBondContact OH-CD1 3.3Å; A288-F304 HydrophobicContact CB-CD1 4.16Å; W302-F304 HydrophobicContact CB-CD2 4.47Å; W302-F304 HydrophobicContact CB-CE2 3.68Å; W302-F304 HydrophobicContact CB-CZ 4.22Å; W302-F304 HydrophobicContact CE3-CZ 4.47Å; F304-C309 HydrophobicContact CD1-CB 4.48Å; F304-N310 HydrophobicContact CD2-CB 3.51Å; F304-N310 HydrophobicContact CE2-CB 3.9Å; F304-N310 HydrophobicContact CG-CB 4.11Å; F304-F312 HydrophobicContact CE2-CD2 4.43Å; F304-F312 HydrophobicContact CE2-CE2 4.37Å; F304-F312 HydrophobicContact CZ-CE2 4.46Å; F304-S316 PolarHBondContact N-O 3.08Å; F304-S316 WeakPolarHBondContact O-CB 3.46Å
305	D	72.8	Confident	79.3	Confident	72 Å²	72	43.7 Å²	43.7	39%	0.385	23%	0.229	S	C	.	.	S	Bend	trans	-71.4	-44.4	173.3	51.2	-15.1	0	0	0	112.2	Y284 F287	Y284-D305 WeakPolarHBondContact CE1-OD1 3.43Å; F287-D305 HydrophobicContact CB-CB 3.88Å
306	D	75.7	Confident	79.6	Confident	65 Å²	65	44.4 Å²	44.4	35%	0.348	24%	0.236	S	C	.	.	S	Bend	trans	-101	118.1	172.7	-170.2	-19.2	0	0	0	110.2	K308 C309	D306-K308 PolarHBondContact O-N 2.83Å; D306-K308 WeakPolarHBondContact OD1-CB 3.4Å; D306-K308 WeakPolarHBondContact OD1-CG 3.45Å; D306-K308 PolarHBondContact OD1-N 2.9Å; D306-C309 WeakPolarHBondContact O-CB 3.23Å; D306-C309 PolarHBondContact O-N 3.06Å
307	P	79.2	Confident	80.4	Confident	47 Å²	47	44.3 Å²	44.3	31%	0.305	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-51.8	-25.4	173	-27.4	35	0	0	0	114.6	C309 N310 V314	P307-C309 VanDerWaalsContact C-N 3.26Å; P307-C309 PolarHBondContact O-N 2.81Å; P307-N310 WeakPolarHBondContact O-CB 3.39Å; P307-N310 PolarHBondContact O-N 2.92Å; P307-V314 HydrophobicContact CB-CG1 4.46Å
308	K	80.1	Confident	81.4	Confident	170 Å²	170	40.7 Å²	40.7	74%	0.739	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-69.6	-24	177	-65.7	176.4	-178.9	175.3	0	113.4	D306 N310	D306-K308 PolarHBondContact O-N 2.83Å; D306-K308 WeakPolarHBondContact OD1-CB 3.4Å; D306-K308 WeakPolarHBondContact OD1-CG 3.45Å; D306-K308 PolarHBondContact OD1-N 2.9Å; K308-N310 VanDerWaalsContact C-N 3.31Å
309	C	82.1	Confident	82	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.034	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-86.1	-8.2	178.5	-55.6	0	0	0	0	113.2	L272 C282 Y284 F304 D306 P307 I311	L272-C309 HydrophobicContact CD2-CB 4.48Å; L272-C309 WeakPolarHBondContact CD2-O 3.42Å; C282-C309 HydrophobicContact CB-CB 3.87Å; C282-C309 WeakPolarHBondContact CB-SG 2.91Å; C282-C309 WeakPolarHBondContact SG-CB 3.48Å; C282-C309 CovalentContact SG-SG 2.02Å; C282-C309 PolarHBondContact SG-SG 2.83Å; Y284-C309 WeakPolarHBondContact OH-CB 3.22Å; Y284-C309 PolarHBondContact OH-SG 3.05Å; Y284-C309 VanDerWaalsContact OH-SG 3.33Å; F304-C309 HydrophobicContact CD1-CB 4.48Å; D306-C309 WeakPolarHBondContact O-CB 3.23Å; D306-C309 PolarHBondContact O-N 3.06Å; P307-C309 VanDerWaalsContact C-N 3.26Å; P307-C309 PolarHBondContact O-N 2.81Å; C309-I311 PolarHBondContact O-N 2.93Å
310	N	84.2	Confident	82.2	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.053	22%	0.223	C	C	.	.			trans	-74.5	112.6	174.1	-176	-16.2	0	0	0	109.5	F304 P307 K308 F312 E313 N315 S318	F304-N310 HydrophobicContact CD2-CB 3.51Å; F304-N310 HydrophobicContact CE2-CB 3.9Å; F304-N310 HydrophobicContact CG-CB 4.11Å; P307-N310 WeakPolarHBondContact O-CB 3.39Å; P307-N310 PolarHBondContact O-N 2.92Å; K308-N310 VanDerWaalsContact C-N 3.31Å; N310-F312 PolarHBondContact O-N 2.89Å; N310-F312 WeakPolarHBondContact OD1-CB 3.48Å; N310-F312 WeakPolarHBondContact OD1-CD2 3.49Å; N310-F312 PolarHBondContact OD1-N 3.25Å; N310-E313 WeakPolarHBondContact CB-O 3.43Å; N310-E313 PolarHBondContact ND2-O 3.33Å; N310-E313 PolarHBondContact OD1-N 2.89Å; N310-N315 WeakPolarHBondContact CB-O 3.33Å; N310-N315 PolarHBondContact ND2-O 3.13Å; N310-S318 PolarHBondContact ND2-OG 3.3Å; N310-S318 PolarHBondContact OD1-OG 3.08Å
311	I	83	Confident	82	Confident	28 Å²	28	45 Å²	45	14%	0.144	24%	0.236	C	C	.	.	S	Bend	trans	-74.6	-11.1	-176.8	62.7	173.3	0	0	0	113.8	L272 C309 I374 Y416 L418	L272-I311 HydrophobicContact CD1-CG2 3.9Å; L272-I311 HydrophobicContact CD2-CG2 3.7Å; L272-I311 HydrophobicContact CG-CG2 4.36Å; C309-I311 PolarHBondContact O-N 2.93Å; I311-I374 HydrophobicContact CD1-CB 3.94Å; I311-I374 HydrophobicContact CD1-CD1 4.15Å; I311-I374 HydrophobicContact CD1-CG2 3.86Å; I311-Y416 HydrophobicContact CB-CD1 4.43Å; I311-Y416 HydrophobicContact CB-CD2 4.15Å; I311-Y416 HydrophobicContact CB-CE1 4.36Å; I311-Y416 HydrophobicContact CB-CE2 4.09Å; I311-Y416 HydrophobicContact CB-CG 4.31Å; I311-Y416 HydrophobicContact CD1-CD2 3.82Å; I311-Y416 HydrophobicContact CD1-CG 3.92Å; I311-Y416 HydrophobicContact CG2-CD1 3.66Å; I311-Y416 HydrophobicContact CG2-CD2 4.23Å; I311-Y416 HydrophobicContact CG2-CE1 3.75Å; I311-Y416 HydrophobicContact CG2-CE2 4.32Å; I311-Y416 HydrophobicContact CG2-CG 3.89Å; I311-L418 HydrophobicContact CD1-CD1 4.35Å
312	F	83.5	Confident	81.9	Confident	20 Å²	20	43.5 Å²	43.5	9%	0.088	23%	0.23	C	C	.	.	S	Bend	trans	-94.7	-42.3	-176.1	-49.4	-71.5	0	0	0	112	W302 F304 N310 H320 F348 I374	W302-F312 HydrophobicContact CB-CE2 4.04Å; W302-F312 AromaticContact CD1-CE2 3.68Å; W302-F312 AromaticContact CD2-CE2 3.56Å; W302-F312 HydrophobicContact CD2-CE2 3.56Å; W302-F312 AromaticContact CD2-CZ 3.85Å; W302-F312 HydrophobicContact CD2-CZ 3.85Å; W302-F312 AromaticContact CE2-CE2 3.85Å; W302-F312 AromaticContact CE2-CZ 3.68Å; W302-F312 HydrophobicContact CE3-CE2 4.15Å; W302-F312 HydrophobicContact CE3-CZ 4.38Å; W302-F312 HydrophobicContact CG-CD2 4.3Å; W302-F312 AromaticContact CG-CE2 3.48Å; W302-F312 HydrophobicContact CG-CE2 3.48Å; W302-F312 VanDerWaalsContact CG-CE2 3.48Å; W302-F312 HydrophobicContact CG-CZ 4.16Å; W302-F312 HydrophobicContact CZ2-CZ 4.12Å; W302-F312 AromaticContact NE1-CE2 3.85Å; W302-F312 AromaticContact NE1-CZ 3.83Å; F304-F312 HydrophobicContact CE2-CD2 4.43Å; F304-F312 HydrophobicContact CE2-CE2 4.37Å; F304-F312 HydrophobicContact CZ-CE2 4.46Å; N310-F312 PolarHBondContact O-N 2.89Å; N310-F312 WeakPolarHBondContact OD1-CB 3.48Å; N310-F312 WeakPolarHBondContact OD1-CD2 3.49Å; N310-F312 PolarHBondContact OD1-N 3.25Å; F312-H320 AromaticContact CD1-CE1 3.54Å; F312-H320 AromaticContact CD1-NE2 3.68Å; F312-H320 AromaticContact CD2-CE1 3.7Å; F312-H320 AromaticContact CE1-CE1 3.84Å; F312-H320 AromaticContact CG-CE1 3.46Å; F312-H320 VanDerWaalsContact CG-CE1 3.46Å; F312-H320 WeakPolarHBondContact CG-CE1 3.44Å; F312-H320 AromaticContact CG-NE2 3.93Å; F312-F348 HydrophobicContact CB-CE2 4.37Å; F312-F348 HydrophobicContact CB-CZ 4.16Å; F312-F348 AromaticContact CD1-CD1 3.84Å; F312-F348 HydrophobicContact CD1-CD1 3.84Å; F312-F348 AromaticContact CD1-CD2 3.82Å; F312-F348 HydrophobicContact CD1-CD2 3.82Å; F312-F348 AromaticContact CD1-CE1 3.73Å; F312-F348 HydrophobicContact CD1-CE1 3.73Å; F312-F348 AromaticContact CD1-CE2 3.7Å; F312-F348 HydrophobicContact CD1-CE2 3.7Å; F312-F348 AromaticContact CD1-CG 3.9Å; F312-F348 HydrophobicContact CD1-CG 3.9Å; F312-F348 AromaticContact CD1-CZ 3.67Å; F312-F348 HydrophobicContact CD1-CZ 3.67Å; F312-F348 HydrophobicContact CE1-CB 4.46Å; F312-F348 HydrophobicContact CE1-CD1 4.08Å; F312-F348 HydrophobicContact CE1-CD2 4.21Å; F312-F348 HydrophobicContact CE1-CE1 4.41Å; F312-F348 AromaticContact CE1-CG 3.99Å; F312-F348 HydrophobicContact CE1-CG 3.99Å; F312-F348 HydrophobicContact CG-CE2 4.49Å; F312-F348 HydrophobicContact CG-CZ 4.42Å; F312-I374 HydrophobicContact CE1-CD1 4.32Å; F312-I374 HydrophobicContact CE1-CG2 3.89Å; F312-I374 HydrophobicContact CZ-CD1 3.8Å; F312-I374 HydrophobicContact CZ-CG2 4.39Å
313	E	77.2	Confident	81.7	Confident	39 Å²	39	43.8 Å²	43.8	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-162.7	157.8	-179.1	48.4	179.7	-150.6	0	0	110.6	N310 N315 S318 Q338 R340	N310-E313 WeakPolarHBondContact CB-O 3.43Å; N310-E313 PolarHBondContact ND2-O 3.33Å; N310-E313 PolarHBondContact OD1-N 2.89Å; E313-N315 VanDerWaalsContact CD-ND2 3.26Å; E313-N315 HydrophobicContact CG-CB 4.2Å; E313-N315 PolarHBondContact O-N 3.22Å; E313-N315 PolarHBondContact OE1-ND2 2Å; E313-S318 WeakPolarHBondContact CG-OG 3.35Å; E313-Q338 PolarHBondContact OE2-NE2 3.14Å; E313-R340 IonicContact OE2-NH2 3.26Å; E313-R340 PolarHBondContact OE2-NH2 2.93Å
314	V	76.5	Confident	81.9	Confident	117 Å²	117	43.2 Å²	43.2	71%	0.709	23%	0.228	S	C	*	.	S	Bend	trans	-77.5	59.6	-178.8	-166.3	0	0	0	0	110.9	P307	P307-V314 HydrophobicContact CB-CG1 4.46Å
315	N	78.4	Confident	82.2	Confident	80 Å²	80	44.8 Å²	44.8	43%	0.428	24%	0.239	S	C	.	.	S	Bend	trans	-133.6	157.2	177.7	-70.5	-29	0	0	0	109.2	N310 E313 I317	N310-N315 WeakPolarHBondContact CB-O 3.33Å; N310-N315 PolarHBondContact ND2-O 3.13Å; E313-N315 VanDerWaalsContact CD-ND2 3.26Å; E313-N315 HydrophobicContact CG-CB 4.2Å; E313-N315 PolarHBondContact O-N 3.22Å; E313-N315 PolarHBondContact OE1-ND2 2Å; N315-I317 VanDerWaalsContact C-N 3.27Å; N315-I317 PolarHBondContact O-N 3.13Å
316	S	77	Confident	82.9	Confident	43 Å²	43	41.7 Å²	41.7	30%	0.301	22%	0.222	S	C	.	.	S	Bend	trans	-73.8	-18.4	175	56.4	0	0	0	0	113.5	T303 F304	T303-S316 WeakPolarHBondContact CA-O 3.11Å; F304-S316 PolarHBondContact N-O 3.08Å; F304-S316 WeakPolarHBondContact O-CB 3.46Å
317	I	82.4	Confident	83.4	Confident	65 Å²	65	46.7 Å²	46.7	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.8	-174.9	-58.4	171.4	0	0	0	108.8	E301 W302 T303 N315	E301-I317 HydrophobicContact CG-CG2 3.65Å; W302-I317 VanDerWaalsContact O-CA 3.29Å; W302-I317 WeakPolarHBondContact O-CA 3.27Å; T303-I317 HydrophobicContact CG2-CG1 4.28Å; N315-I317 VanDerWaalsContact C-N 3.27Å; N315-I317 PolarHBondContact O-N 3.13Å
318	S	86.1	Confident	83.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142	170.2	-66.7	0	0	0	0	110.6	E301 W302 N310 E313	E301-S318 WeakPolarHBondContact CA-O 3.4Å; W302-S318 PolarHBondContact N-O 2.9Å; W302-S318 PolarHBondContact O-N 2.92Å; N310-S318 PolarHBondContact ND2-OG 3.3Å; N310-S318 PolarHBondContact OD1-OG 3.08Å; E313-S318 WeakPolarHBondContact CG-OG 3.35Å
319	H	87	Confident	83.6	Confident	77 Å²	77	43 Å²	43	36%	0.356	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129	-178.3	-170.6	-75	0	0	0	110.4	E298 I300 Q338	E298-H319 PolarHBondContact O-CE1 3.06Å; E298-H319 PolarHBondContact O-NE2 2.74Å; I300-H319 WeakPolarHBondContact O-CA 3.47Å; H319-Q338 WeakPolarHBondContact O-CG 3.44Å
320	H	88.9	Confident	83.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.3	-179.6	-62	84.6	0	0	0	110.3	G299 I300 W302 F312 L336 H337 F348	G299-H320 CarbonylContact C-O 3.59Å; I300-H320 PolarHBondContact N-O 3.02Å; I300-H320 PolarHBondContact O-N 3.2Å; W302-H320 AromaticContact CD1-ND1 3.42Å; W302-H320 AromaticContact NE1-ND1 3.4Å; W302-H320 PolarHBondContact NE1-ND1 2.76Å; F312-H320 AromaticContact CD1-CE1 3.54Å; F312-H320 AromaticContact CD1-NE2 3.68Å; F312-H320 AromaticContact CD2-CE1 3.7Å; F312-H320 AromaticContact CE1-CE1 3.84Å; F312-H320 AromaticContact CG-CE1 3.46Å; F312-H320 VanDerWaalsContact CG-CE1 3.46Å; F312-H320 WeakPolarHBondContact CG-CE1 3.44Å; F312-H320 AromaticContact CG-NE2 3.93Å; H320-L336 HydrophobicContact CB-CB 3.98Å; H320-H337 CarbonylContact C-O 3.53Å; H320-H337 WeakPolarHBondContact CA-O 3.31Å; H320-F348 AromaticContact CD2-CD2 3.96Å; H320-F348 AromaticContact NE2-CD2 3.5Å; H320-F348 AromaticContact NE2-CE2 3.59Å
321	N	86.6	Confident	83.7	Confident	51 Å²	51	45.2 Å²	45.2	27%	0.273	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.1	169.4	-68.4	-24.5	0	0	0	109.2	L336 H337	N321-L336 CarbonylContact O-C 3.55Å; N321-L336 WeakPolarHBondContact O-CA 3.37Å; N321-H337 WeakPolarHBondContact CB-CE1 3.47Å; N321-H337 WeakPolarHBondContact CB-NE2 3.38Å; N321-H337 PolarHBondContact N-O 2.83Å; N321-H337 PolarHBondContact ND2-NE2 3.43Å; N321-H337 PolarHBondContact O-N 2.94Å; N321-H337 PolarHBondContact O-ND1 2.93Å
322	C	87.9	Confident	84	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.054	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.7	173.1	-67.7	0	0	0	0	110.3	C261 T334	C261-C322 WeakPolarHBondContact CA-SG 3.39Å; C261-C322 HydrophobicContact CB-CB 4.06Å; C261-C322 WeakPolarHBondContact CB-SG 3.35Å; C261-C322 WeakPolarHBondContact SG-CB 3.43Å; C261-C322 CovalentContact SG-SG 2.04Å; C261-C322 PolarHBondContact SG-SG 3.27Å; C322-T334 HydrophobicContact CB-CG2 4.39Å
323	Y	83.8	Confident	84.3	Confident	6 Å²	6	43.3 Å²	43.3	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-44.5	-177.4	-177.1	-107.7	0	0	0	112.1	I215 I247 P248 L250 I259 L335	I215-Y323 HydrophobicContact CD1-CD1 4.3Å; I215-Y323 HydrophobicContact CD1-CD2 3.67Å; I215-Y323 HydrophobicContact CD1-CE1 3.95Å; I215-Y323 HydrophobicContact CD1-CE2 3.24Å; I215-Y323 HydrophobicContact CD1-CG 4.18Å; I215-Y323 VanDerWaalsContact CD1-CZ 3.41Å; I215-Y323 WeakPolarHBondContact CD1-O 3.17Å; I215-Y323 HydrophobicContact CG2-CD1 4.5Å; I215-Y323 HydrophobicContact CG2-CE1 3.66Å; I247-Y323 HydrophobicContact CB-CE1 4.44Å; I247-Y323 HydrophobicContact CD1-CE1 4.46Å; P248-Y323 PolarHBondContact O-OH 2.86Å; L250-Y323 HydrophobicContact CD2-CD2 3.65Å; L250-Y323 HydrophobicContact CD2-CE1 4.22Å; L250-Y323 HydrophobicContact CD2-CE2 3.07Å; L250-Y323 HydrophobicContact CD2-CG 4.41Å; L250-Y323 VanDerWaalsContact CD2-CZ 3.41Å; I259-Y323 WeakPolarHBondContact CD1-O 3.46Å; Y323-L335 HydrophobicContact CD1-CB 4.19Å; Y323-L335 HydrophobicContact CD1-CD1 3.99Å; Y323-L335 PolarHBondContact N-O 2.82Å
324	A	86.3	Confident	84.9	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	155.8	175.7	0	0	0	0	0	110	I217 T334 L335	I217-A324 HydrophobicContact CD1-CB 3.72Å; I217-A324 HydrophobicContact CG1-CB 4.38Å; A324-T334 CarbonylContact O-C 3.59Å; A324-T334 VanDerWaalsContact O-CA 3.31Å; A324-T334 WeakPolarHBondContact O-CA 3.47Å; A324-L335 HydrophobicContact CB-CD1 4.31Å; A324-L335 PolarHBondContact O-N 3.04Å
325	S	88.1	Confident	85.5	Confident	34 Å²	34	35.9 Å²	35.9	24%	0.238	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	134.1	-179.7	152.8	0	0	0	0	111.2	D213 Y333	D213-S325 VanDerWaalsContact OD2-O 3.08Å; S325-Y333 CarbonylContact C-O 3.56Å; S325-Y333 WeakPolarHBondContact CA-O 3.27Å
326	W	87.5	Confident	86	Confident	7 Å²	7	32 Å²	32	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	165.5	175.2	65.1	96	0	0	0	111	V209 N210 I217 L245 T332 Y333 L335 L378 Y383	V209-W326 HydrophobicContact CG1-CB 3.87Å; V209-W326 HydrophobicContact CG1-CD2 3.77Å; V209-W326 HydrophobicContact CG1-CG 3.36Å; N210-W326 HydrophobicContact CB-CB 4.44Å; I217-W326 HydrophobicContact CD1-CD2 4.41Å; I217-W326 HydrophobicContact CD1-CE3 3.47Å; I217-W326 VanDerWaalsContact CD1-CE3 3.47Å; I217-W326 HydrophobicContact CD1-CH2 3.89Å; I217-W326 HydrophobicContact CD1-CZ3 3.16Å; L245-W326 HydrophobicContact CD1-CZ2 4.32Å; W326-T332 WeakPolarHBondContact O-CA 3.1Å; W326-Y333 AromaticContact CE2-CG 3.82Å; W326-Y333 HydrophobicContact CZ2-CD1 4.16Å; W326-Y333 AromaticContact CZ2-CG 3.97Å; W326-Y333 HydrophobicContact CZ2-CG 3.97Å; W326-Y333 PolarHBondContact N-O 2.76Å; W326-Y333 AromaticContact NE1-CD2 3.77Å; W326-Y333 AromaticContact NE1-CG 3.63Å; W326-Y333 PolarHBondContact O-N 2.89Å; W326-L335 HydrophobicContact CH2-CD1 4.17Å; W326-L335 HydrophobicContact CH2-CD2 4.23Å; W326-L335 HydrophobicContact CH2-CG 3.92Å; W326-L335 HydrophobicContact CZ3-CD1 3.96Å; W326-L335 HydrophobicContact CZ3-CG 3.8Å; W326-L378 HydrophobicContact CH2-CD2 4.48Å; W326-Y383 AromaticContact NE1-CE2 3.39Å
327	K	86.1	Confident	86.4	Confident	169 Å²	169	31.1 Å²	31.1	74%	0.735	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	140	177.2	-67.4	-172.4	176.2	-172.5	0	111.1	L331 T332	K327-L331 CarbonylContact C-O 3.59Å; K327-L331 VanDerWaalsContact CA-O 3.23Å; K327-L331 WeakPolarHBondContact CA-O 3.48Å; K327-T332 WeakPolarHBondContact CE-OG1 3.1Å; K327-T332 HydrophobicContact CG-CG2 4.48Å
328	K	82.5	Confident	86.4	Confident	52 Å²	52	29 Å²	29	23%	0.226	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	132.5	172.8	179.7	-178.1	174.9	-164.4	0	109	G330 L331 Y333 Y383	K328-G330 PolarHBondContact O-N 3.03Å; K328-G330 VanDerWaalsContact O-N 3.16Å; K328-L331 PolarHBondContact N-O 2.87Å; K328-L331 WeakPolarHBondContact O-CA 3.22Å; K328-L331 WeakPolarHBondContact O-CB 3.44Å; K328-L331 PolarHBondContact O-N 2.77Å; K328-Y333 HydrophobicContact CB-CD2 4.44Å; K328-Y333 HydrophobicContact CB-CE2 4.06Å; K328-Y383 HydrophobicContact CB-CE2 4.34Å; K328-Y383 HydrophobicContact CD-CD2 4.06Å; K328-Y383 HydrophobicContact CD-CE1 4.22Å; K328-Y383 HydrophobicContact CD-CE2 3.39Å; K328-Y383 HydrophobicContact CG-CE2 4.47Å; K328-Y383 PolarHBondContact NZ-O 3.01Å
329	D	81.3	Confident	85.8	Confident	87 Å²	87	33.3 Å²	33.3	47%	0.465	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	176.6	-48.7	-33.2	0	0	0	114.1	L331 S386	D329-L331 PolarHBondContact O-N 2.81Å; D329-S386 PolarHBondContact OD2-OG 2.86Å
330	G	81.4	Confident	84.8	Confident	62 Å²	62	31.6 Å²	31.6	64%	0.639	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	-2	-177.3	0	0	0	0	0	115.2	K328	K328-G330 PolarHBondContact O-N 3.03Å; K328-G330 VanDerWaalsContact O-N 3.16Å
331	L	86.5	Confident	83.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.6	173	-61.3	174.6	0	0	0	111	K327 K328 D329 Y333 V351 W373 S386 L389 L390	K327-L331 CarbonylContact C-O 3.59Å; K327-L331 VanDerWaalsContact CA-O 3.23Å; K327-L331 WeakPolarHBondContact CA-O 3.48Å; K328-L331 PolarHBondContact N-O 2.87Å; K328-L331 WeakPolarHBondContact O-CA 3.22Å; K328-L331 WeakPolarHBondContact O-CB 3.44Å; K328-L331 PolarHBondContact O-N 2.77Å; D329-L331 PolarHBondContact O-N 2.81Å; L331-Y333 HydrophobicContact CB-CD2 4.43Å; L331-Y333 HydrophobicContact CB-CE2 3.81Å; L331-V351 HydrophobicContact CB-CG1 4Å; L331-V351 HydrophobicContact CD1-CG1 4.09Å; L331-V351 HydrophobicContact CD2-CG1 4.47Å; L331-V351 HydrophobicContact CG-CG1 4.43Å; L331-W373 HydrophobicContact CD2-CZ3 4.43Å; L331-S386 WeakPolarHBondContact CD1-O 3.18Å; L331-L389 HydrophobicContact CD1-CB 4.18Å; L331-L389 HydrophobicContact CD1-CD1 4.32Å; L331-L390 HydrophobicContact CD1-CD1 4.45Å; L331-L390 HydrophobicContact CD1-CG 4.36Å; L331-L390 HydrophobicContact CD2-CD2 3.92Å; L331-L390 HydrophobicContact CD2-CG 4.1Å; L331-L390 HydrophobicContact CG-CD1 4.32Å; L331-L390 HydrophobicContact CG-CD2 4.46Å; L331-L390 HydrophobicContact CG-CG 4.28Å
332	T	89.4	Confident	81.6	Confident	8 Å²	8	46 Å²	46	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.7	170.2	-54.2	0	0	0	0	108.7	P262 W326 K327 V351 F352	P262-T332 HydrophobicContact CB-CG2 4.06Å; P262-T332 HydrophobicContact CG-CG2 4.42Å; W326-T332 WeakPolarHBondContact O-CA 3.1Å; K327-T332 WeakPolarHBondContact CE-OG1 3.1Å; K327-T332 HydrophobicContact CG-CG2 4.48Å; T332-V351 VanDerWaalsContact O-CA 3.31Å; T332-V351 WeakPolarHBondContact O-CA 3.36Å; T332-F352 HydrophobicContact CG2-CE1 3.84Å; T332-F352 HydrophobicContact CG2-CE2 4.25Å; T332-F352 HydrophobicContact CG2-CZ 3.55Å; T332-F352 PolarHBondContact N-O 3.13Å; T332-F352 PolarHBondContact O-N 3.39Å
333	Y	88.9	Confident	80.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.6	174.8	-69.5	-101.6	0	0	0	108.6	S325 W326 K328 L331 T349 M350 V351 Y383 S386	S325-Y333 CarbonylContact C-O 3.56Å; S325-Y333 WeakPolarHBondContact CA-O 3.27Å; W326-Y333 AromaticContact CE2-CG 3.82Å; W326-Y333 HydrophobicContact CZ2-CD1 4.16Å; W326-Y333 AromaticContact CZ2-CG 3.97Å; W326-Y333 HydrophobicContact CZ2-CG 3.97Å; W326-Y333 PolarHBondContact N-O 2.76Å; W326-Y333 AromaticContact NE1-CD2 3.77Å; W326-Y333 AromaticContact NE1-CG 3.63Å; W326-Y333 PolarHBondContact O-N 2.89Å; K328-Y333 HydrophobicContact CB-CD2 4.44Å; K328-Y333 HydrophobicContact CB-CE2 4.06Å; L331-Y333 HydrophobicContact CB-CD2 4.43Å; L331-Y333 HydrophobicContact CB-CE2 3.81Å; Y333-T349 HydrophobicContact CD1-CG2 4.08Å; Y333-M350 CarbonylContact C-O 3.39Å; Y333-M350 WeakPolarHBondContact CA-O 3.23Å; Y333-V351 HydrophobicContact CD1-CG1 4.28Å; Y333-V351 HydrophobicContact CD1-CG2 3.51Å; Y333-V351 HydrophobicContact CE1-CB 4.49Å; Y333-V351 HydrophobicContact CE1-CG1 4.01Å; Y333-V351 HydrophobicContact CE1-CG2 3.58Å; Y333-V351 HydrophobicContact CE2-CG1 4.27Å; Y333-V351 HydrophobicContact CG-CG2 4.27Å; Y333-Y383 HydrophobicContact CD1-CD2 4.41Å; Y333-Y383 HydrophobicContact CE1-CD2 4.08Å; Y333-S386 VanDerWaalsContact OH-CB 3.32Å; Y333-S386 WeakPolarHBondContact OH-CB 3.46Å
334	T	90.5	Very high	79.1	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	125.6	-179.5	-58.8	0	0	0	0	110.4	P262 C322 A324 L336 T349 M350	P262-T334 HydrophobicContact CG-CG2 4.18Å; P262-T334 VanDerWaalsContact CG-OG1 3.31Å; P262-T334 WeakPolarHBondContact CG-OG1 3.49Å; C322-T334 HydrophobicContact CB-CG2 4.39Å; A324-T334 CarbonylContact O-C 3.59Å; A324-T334 VanDerWaalsContact O-CA 3.31Å; A324-T334 WeakPolarHBondContact O-CA 3.47Å; T334-L336 HydrophobicContact CG2-CD2 4.04Å; T334-T349 WeakPolarHBondContact O-CA 3.44Å; T334-M350 HydrophobicContact CG2-CE 3.97Å; T334-M350 PolarHBondContact N-O 2.76Å; T334-M350 PolarHBondContact O-N 2.76Å
335	L	89.3	Confident	78.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.4	172.4	-65.8	174.3	0	0	0	109.4	I217 I247 Y323 A324 W326 I347 F348 T349 L378	I217-L335 HydrophobicContact CD1-CD1 3.86Å; I247-L335 HydrophobicContact CG2-CD1 3.75Å; Y323-L335 HydrophobicContact CD1-CB 4.19Å; Y323-L335 HydrophobicContact CD1-CD1 3.99Å; Y323-L335 PolarHBondContact N-O 2.82Å; A324-L335 HydrophobicContact CB-CD1 4.31Å; A324-L335 PolarHBondContact O-N 3.04Å; W326-L335 HydrophobicContact CH2-CD1 4.17Å; W326-L335 HydrophobicContact CH2-CD2 4.23Å; W326-L335 HydrophobicContact CH2-CG 3.92Å; W326-L335 HydrophobicContact CZ3-CD1 3.96Å; W326-L335 HydrophobicContact CZ3-CG 3.8Å; L335-I347 HydrophobicContact CB-CG2 4.44Å; L335-I347 HydrophobicContact CD2-CG2 4.02Å; L335-F348 WeakPolarHBondContact CA-O 3.38Å; L335-T349 VanDerWaalsContact CD2-OG1 3.24Å; L335-T349 WeakPolarHBondContact CD2-OG1 3.27Å; L335-L378 HydrophobicContact CD1-CD2 4.08Å; L335-L378 HydrophobicContact CD2-CD2 3.62Å; L335-L378 HydrophobicContact CD2-CG 4.14Å; L335-L378 HydrophobicContact CG-CD2 4.42Å
336	L	89.1	Confident	77.9	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.4	174.4	-56.2	-175.5	0	0	0	107.6	I300 W302 H320 N321 T334 I347 F348 M350	I300-L336 HydrophobicContact CD1-CD2 3.69Å; W302-L336 HydrophobicContact CZ2-CD1 4.03Å; H320-L336 HydrophobicContact CB-CB 3.98Å; N321-L336 CarbonylContact O-C 3.55Å; N321-L336 WeakPolarHBondContact O-CA 3.37Å; T334-L336 HydrophobicContact CG2-CD2 4.04Å; L336-I347 CarbonylContact O-C 3.59Å; L336-I347 WeakPolarHBondContact O-CA 3.17Å; L336-I347 WeakPolarHBondContact O-CG2 3.01Å; L336-F348 HydrophobicContact CB-CB 4.3Å; L336-F348 PolarHBondContact N-O 2.84Å; L336-F348 PolarHBondContact O-N 3Å; L336-M350 HydrophobicContact CD1-CB 3.93Å; L336-M350 HydrophobicContact CD1-SD 4.28Å; L336-M350 HydrophobicContact CD2-CE 4.17Å; L336-M350 HydrophobicContact CG-CB 4.13Å
337	H	85.8	Confident	77.7	Confident	23 Å²	23	49.7 Å²	49.7	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.1	175.2	78.2	-94.1	0	0	0	111	H320 N321 S346	H320-H337 CarbonylContact C-O 3.53Å; H320-H337 WeakPolarHBondContact CA-O 3.31Å; N321-H337 WeakPolarHBondContact CB-CE1 3.47Å; N321-H337 WeakPolarHBondContact CB-NE2 3.38Å; N321-H337 PolarHBondContact N-O 2.83Å; N321-H337 PolarHBondContact ND2-NE2 3.43Å; N321-H337 PolarHBondContact O-N 2.94Å; N321-H337 PolarHBondContact O-ND1 2.93Å; H337-S346 WeakPolarHBondContact CA-O 3.3Å
338	Q	81.4	Confident	77.7	Confident	22 Å²	22	42.6 Å²	42.6	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.1	174.2	174.3	-176	14.9	0	0	109.1	E313 H319 S346	E313-Q338 PolarHBondContact OE2-NE2 3.14Å; H319-Q338 WeakPolarHBondContact O-CG 3.44Å; Q338-S346 WeakPolarHBondContact CB-OG 3.28Å; Q338-S346 PolarHBondContact N-O 3.38Å; Q338-S346 PolarHBondContact O-N 2.61Å; Q338-S346 PolarHBondContact OE1-OG 2.77Å
339	D	73.1	Confident	78	Confident	89 Å²	89	40.1 Å²	40.1	48%	0.476	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.3	176.3	-166.5	-18.2	0	0	0	109.3
340	R	66.2	Low	78.4	Confident	42 Å²	42	36 Å²	36	16%	0.158	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119	178.5	-54	-171.8	108.2	157.8	13.2	108.7	E313 D342 D343 G344	E313-R340 IonicContact OE2-NH2 3.26Å; E313-R340 PolarHBondContact OE2-NH2 2.93Å; R340-D342 PolarHBondContact O-N 3.42Å; R340-D343 HydrophobicContact CB-CB 4.39Å; R340-D343 PolarHBondContact O-N 2.75Å; R340-G344 WeakPolarHBondContact CB-O 3.07Å; R340-G344 PolarHBondContact N-O 3.27Å
341	K	54.6	Low	78.8	Confident	201 Å²	201	33 Å²	33	87%	0.874	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.2	-172.7	-71.3	-177.4	178.9	176.6	0	114.9
342	D	54.1	Low	79	Confident	153 Å²	153	33.4 Å²	33.4	82%	0.818	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-13.8	-171.7	-58.4	-44.2	0	0	0	114.1	R340	R340-D342 PolarHBondContact O-N 3.42Å
343	D	56.1	Low	78.8	Confident	78 Å²	78	35.1 Å²	35.1	42%	0.417	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-9.4	-161.2	-73.5	-16.6	0	0	0	116.8	R55 E83 R340	R55-D343 IonicContact CZ-OD2 3.54Å; R55-D343 IonicContact NH2-OD2 2.75Å; R55-D343 PolarHBondContact NH2-OD2 3.47Å; E83-D343 VanDerWaalsContact OE1-O 3.09Å; R340-D343 HydrophobicContact CB-CB 4.39Å; R340-D343 PolarHBondContact O-N 2.75Å
344	G	63.6	Low	78.6	Confident	19 Å²	19	38.9 Å²	38.9	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.4	-144.2	-179.8	0	0	0	0	0	114.9	R340	R340-G344 WeakPolarHBondContact CB-O 3.07Å; R340-G344 PolarHBondContact N-O 3.27Å
345	Y	71.7	Confident	78.4	Confident	28 Å²	28	41.2 Å²	41.2	11%	0.11	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.2	-172.9	-60.3	-75.3	0	0	0	111.9	W49 E83 L250	W49-Y345 HydrophobicContact CH2-CD2 4.11Å; W49-Y345 HydrophobicContact CZ3-CD2 4.39Å; E83-Y345 PolarHBondContact OE1-N 3.09Å; E83-Y345 PolarHBondContact OE2-N 3.31Å; E83-Y345 VanDerWaalsContact OE2-O 3.1Å; L250-Y345 HydrophobicContact CB-CD1 4.49Å; L250-Y345 HydrophobicContact CB-CD2 3.88Å; L250-Y345 HydrophobicContact CB-CE2 3.91Å; L250-Y345 HydrophobicContact CB-CG 4.19Å; L250-Y345 HydrophobicContact CD1-CD1 3.9Å; L250-Y345 HydrophobicContact CD1-CD2 4.1Å; L250-Y345 HydrophobicContact CD1-CG 3.6Å; L250-Y345 WeakPolarHBondContact O-CE2 3.41Å
346	S	76.2	Confident	78.3	Confident	11 Å²	11	41.4 Å²	41.4	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.2	168	45.2	0	0	0	0	111.2	H337 Q338	H337-S346 WeakPolarHBondContact CA-O 3.3Å; Q338-S346 WeakPolarHBondContact CB-OG 3.28Å; Q338-S346 PolarHBondContact N-O 3.38Å; Q338-S346 PolarHBondContact O-N 2.61Å; Q338-S346 PolarHBondContact OE1-OG 2.77Å
347	I	84.2	Confident	78.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.5	175.6	-55.7	-177.9	0	0	0	109.6	W85 I247 L250 L335 L336 G377	W85-I347 HydrophobicContact CH2-CB 3.69Å; W85-I347 HydrophobicContact CH2-CD1 3.6Å; W85-I347 HydrophobicContact CH2-CG1 3.94Å; W85-I347 HydrophobicContact CH2-CG2 4.27Å; W85-I347 HydrophobicContact CZ2-CB 3.54Å; W85-I347 HydrophobicContact CZ2-CD1 3.54Å; W85-I347 HydrophobicContact CZ2-CG1 3.55Å; I247-I347 HydrophobicContact CD1-CD1 3.36Å; L250-I347 HydrophobicContact CD1-CD1 3.75Å; L250-I347 HydrophobicContact CD1-CG1 4.12Å; L250-I347 HydrophobicContact CG-CD1 4.34Å; L335-I347 HydrophobicContact CB-CG2 4.44Å; L335-I347 HydrophobicContact CD2-CG2 4.02Å; L336-I347 CarbonylContact O-C 3.59Å; L336-I347 WeakPolarHBondContact O-CA 3.17Å; L336-I347 WeakPolarHBondContact O-CG2 3.01Å; I347-G377 PolarHBondContact O-N 3.12Å
348	F	86.7	Confident	77.9	Confident	19 Å²	19	52 Å²	52	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.5	172	-61.3	-93.4	0	0	0	109.5	F312 H320 L335 L336 I374 Y375 P376	F312-F348 HydrophobicContact CB-CE2 4.37Å; F312-F348 HydrophobicContact CB-CZ 4.16Å; F312-F348 AromaticContact CD1-CD1 3.84Å; F312-F348 HydrophobicContact CD1-CD1 3.84Å; F312-F348 AromaticContact CD1-CD2 3.82Å; F312-F348 HydrophobicContact CD1-CD2 3.82Å; F312-F348 AromaticContact CD1-CE1 3.73Å; F312-F348 HydrophobicContact CD1-CE1 3.73Å; F312-F348 AromaticContact CD1-CE2 3.7Å; F312-F348 HydrophobicContact CD1-CE2 3.7Å; F312-F348 AromaticContact CD1-CG 3.9Å; F312-F348 HydrophobicContact CD1-CG 3.9Å; F312-F348 AromaticContact CD1-CZ 3.67Å; F312-F348 HydrophobicContact CD1-CZ 3.67Å; F312-F348 HydrophobicContact CE1-CB 4.46Å; F312-F348 HydrophobicContact CE1-CD1 4.08Å; F312-F348 HydrophobicContact CE1-CD2 4.21Å; F312-F348 HydrophobicContact CE1-CE1 4.41Å; F312-F348 AromaticContact CE1-CG 3.99Å; F312-F348 HydrophobicContact CE1-CG 3.99Å; F312-F348 HydrophobicContact CG-CE2 4.49Å; F312-F348 HydrophobicContact CG-CZ 4.42Å; H320-F348 AromaticContact CD2-CD2 3.96Å; H320-F348 AromaticContact NE2-CD2 3.5Å; H320-F348 AromaticContact NE2-CE2 3.59Å; L335-F348 WeakPolarHBondContact CA-O 3.38Å; L336-F348 HydrophobicContact CB-CB 4.3Å; L336-F348 PolarHBondContact N-O 2.84Å; L336-F348 PolarHBondContact O-N 3Å; F348-I374 HydrophobicContact CB-CG2 4.26Å; F348-I374 HydrophobicContact CD1-CG2 4.34Å; F348-Y375 WeakPolarHBondContact CA-O 3.47Å; F348-P376 HydrophobicContact CD1-CB 3.94Å; F348-P376 HydrophobicContact CE1-CB 3.93Å
349	T	88.2	Confident	77.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.7	167	-60.4	0	0	0	0	109.4	Y333 T334 L335 V351 I374 Y375 G377	Y333-T349 HydrophobicContact CD1-CG2 4.08Å; T334-T349 WeakPolarHBondContact O-CA 3.44Å; L335-T349 VanDerWaalsContact CD2-OG1 3.24Å; L335-T349 WeakPolarHBondContact CD2-OG1 3.27Å; T349-V351 HydrophobicContact CG2-CG2 3.91Å; T349-I374 WeakPolarHBondContact O-CA 3.45Å; T349-Y375 VanDerWaalsContact CB-CE2 3.41Å; T349-Y375 VanDerWaalsContact CB-CZ 3.48Å; T349-Y375 HydrophobicContact CG2-CE1 4Å; T349-Y375 HydrophobicContact CG2-CE2 3.96Å; T349-Y375 VanDerWaalsContact CG2-CZ 3.5Å; T349-Y375 VanDerWaalsContact CG2-OH 3.32Å; T349-Y375 WeakPolarHBondContact CG2-OH 3.18Å; T349-Y375 PolarHBondContact N-O 2.82Å; T349-Y375 PolarHBondContact O-N 2.68Å; T349-G377 PolarHBondContact OG1-O 2.77Å
350	M	90.6	Very high	77.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.6	172	178.4	179.5	69.4	0	0	109.1	F263 I300 W302 Y333 T334 L336 F352 L372 W373 I374	F263-M350 HydrophobicContact CD1-CE 4.32Å; F263-M350 HydrophobicContact CE1-CE 3.43Å; F263-M350 VanDerWaalsContact CE1-CE 3.43Å; F263-M350 HydrophobicContact CE1-SD 3.87Å; F263-M350 HydrophobicContact CZ-CE 4.1Å; F263-M350 HydrophobicContact CZ-SD 4.11Å; I300-M350 HydrophobicContact CD1-CE 3.88Å; I300-M350 HydrophobicContact CD1-SD 4.24Å; W302-M350 HydrophobicContact CH2-SD 4.25Å; W302-M350 HydrophobicContact CZ2-SD 4.21Å; Y333-M350 CarbonylContact C-O 3.39Å; Y333-M350 WeakPolarHBondContact CA-O 3.23Å; T334-M350 HydrophobicContact CG2-CE 3.97Å; T334-M350 PolarHBondContact N-O 2.76Å; T334-M350 PolarHBondContact O-N 2.76Å; L336-M350 HydrophobicContact CD1-CB 3.93Å; L336-M350 HydrophobicContact CD1-SD 4.28Å; L336-M350 HydrophobicContact CD2-CE 4.17Å; L336-M350 HydrophobicContact CG-CB 4.13Å; M350-F352 HydrophobicContact CE-CD1 4.41Å; M350-F352 HydrophobicContact CE-CE1 4.12Å; M350-L372 HydrophobicContact CG-CD1 3.87Å; M350-L372 HydrophobicContact CG-CD2 3.95Å; M350-L372 HydrophobicContact CG-CG 3.96Å; M350-L372 HydrophobicContact SD-CD1 3.74Å; M350-L372 HydrophobicContact SD-CD2 4.34Å; M350-L372 HydrophobicContact SD-CG 4.41Å; M350-W373 CarbonylContact C-O 3.55Å; M350-W373 WeakPolarHBondContact CA-O 3.48Å; M350-I374 HydrophobicContact CG-CG1 4.45Å
351	V	89.7	Confident	76.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	-178.8	-169.9	0	0	0	0	109.6	L331 T332 Y333 T349 L372 W373 Y375 L389	L331-V351 HydrophobicContact CB-CG1 4Å; L331-V351 HydrophobicContact CD1-CG1 4.09Å; L331-V351 HydrophobicContact CD2-CG1 4.47Å; L331-V351 HydrophobicContact CG-CG1 4.43Å; T332-V351 VanDerWaalsContact O-CA 3.31Å; T332-V351 WeakPolarHBondContact O-CA 3.36Å; Y333-V351 HydrophobicContact CD1-CG1 4.28Å; Y333-V351 HydrophobicContact CD1-CG2 3.51Å; Y333-V351 HydrophobicContact CE1-CB 4.49Å; Y333-V351 HydrophobicContact CE1-CG1 4.01Å; Y333-V351 HydrophobicContact CE1-CG2 3.58Å; Y333-V351 HydrophobicContact CE2-CG1 4.27Å; Y333-V351 HydrophobicContact CG-CG2 4.27Å; T349-V351 HydrophobicContact CG2-CG2 3.91Å; V351-L372 WeakPolarHBondContact O-CA 3.36Å; V351-W373 HydrophobicContact CB-CB 4.38Å; V351-W373 HydrophobicContact CB-CE3 4.5Å; V351-W373 PolarHBondContact N-O 3.37Å; V351-W373 PolarHBondContact O-N 2.51Å; V351-Y375 HydrophobicContact CG2-CE1 3.77Å; V351-L389 HydrophobicContact CG1-CD1 4.29Å
352	F	88.8	Confident	77.1	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.3	174.7	61.4	-83.4	0	0	0	110.8	P262 F263 T332 M350 I355 L372	P262-F352 HydrophobicContact CB-CZ 4Å; P262-F352 HydrophobicContact CG-CE1 3.8Å; P262-F352 HydrophobicContact CG-CZ 3.69Å; F263-F352 HydrophobicContact CD1-CD1 4.41Å; F263-F352 AromaticContact CD1-CE1 3.77Å; F263-F352 HydrophobicContact CD1-CE1 3.77Å; F263-F352 HydrophobicContact CD1-CE2 4.24Å; F263-F352 AromaticContact CD1-CZ 3.67Å; F263-F352 HydrophobicContact CD1-CZ 3.67Å; F263-F352 HydrophobicContact CE1-CD1 4.28Å; F263-F352 AromaticContact CE1-CE1 3.95Å; F263-F352 HydrophobicContact CE1-CE1 3.95Å; F263-F352 HydrophobicContact CE1-CZ 4.31Å; T332-F352 HydrophobicContact CG2-CE1 3.84Å; T332-F352 HydrophobicContact CG2-CE2 4.25Å; T332-F352 HydrophobicContact CG2-CZ 3.55Å; T332-F352 PolarHBondContact N-O 3.13Å; T332-F352 PolarHBondContact O-N 3.39Å; M350-F352 HydrophobicContact CE-CD1 4.41Å; M350-F352 HydrophobicContact CE-CE1 4.12Å; F352-I355 HydrophobicContact CD2-CG1 4.04Å; F352-I355 HydrophobicContact CE2-CD1 4Å; F352-I355 HydrophobicContact CE2-CG1 3.68Å; F352-L372 HydrophobicContact CB-CD1 4.32Å; F352-L372 HydrophobicContact CB-CG 4.46Å
353	S	85.4	Confident	77.5	Confident	45 Å²	45	47.5 Å²	47.5	32%	0.315	27%	0.273	S	S	.	.	S	Bend	trans	-84	-39.9	175.2	52.5	0	0	0	0	112.1
354	D	85.2	Confident	77.7	Confident	78 Å²	78	53.7 Å²	53.7	42%	0.417	29%	0.292	S	S	.	.			trans	-155.6	164	-170.8	-167.5	17.7	0	0	0	110.4	K370	D354-K370 IonicContact OD2-NZ 3.03Å; D354-K370 PolarHBondContact OD2-NZ 2.83Å
355	I	86.9	Confident	77.8	Confident	49 Å²	49	56.9 Å²	56.9	25%	0.251	31%	0.308	S	S	.	.			trans	-112.5	136.1	-177.2	-56.5	145.7	0	0	0	108	F263 F267 F352 E357	F263-I355 HydrophobicContact CB-CD1 3.31Å; F263-I355 HydrophobicContact CB-CG1 3.68Å; F263-I355 HydrophobicContact CB-CG2 4.26Å; F263-I355 HydrophobicContact CD1-CG1 4.48Å; F263-I355 HydrophobicContact CG-CD1 4.34Å; F263-I355 HydrophobicContact CG-CG1 4.23Å; F267-I355 HydrophobicContact CE1-CG2 3.6Å; F267-I355 HydrophobicContact CZ-CG2 3.6Å; F352-I355 HydrophobicContact CD2-CG1 4.04Å; F352-I355 HydrophobicContact CE2-CD1 4Å; F352-I355 HydrophobicContact CE2-CG1 3.68Å; I355-E357 PolarHBondContact O-N 3.14Å
356	P	86.8	Confident	77.9	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.026	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-50.5	137.9	174.4	-28.1	34.5	0	0	0	112.2	F267 K370 I420 R422	F267-P356 HydrophobicContact CD1-CB 4.47Å; F267-P356 HydrophobicContact CD1-CG 4.12Å; F267-P356 HydrophobicContact CE1-CB 4.4Å; F267-P356 HydrophobicContact CE1-CG 4.23Å; P356-K370 HydrophobicContact CG-CB 4.12Å; P356-K370 HydrophobicContact CG-CG 4.03Å; P356-I420 HydrophobicContact CG-CD1 4.27Å; P356-I420 HydrophobicContact CG-CG1 4.08Å; P356-I420 WeakPolarHBondContact CG-O 3.23Å; P356-R422 HydrophobicContact CB-CB 4.27Å; P356-R422 VanDerWaalsContact O-CZ 3.32Å; P356-R422 PolarHBondContact O-NE 2.87Å; P356-R422 PolarHBondContact O-NH2 3.08Å
357	E	85	Confident	77.7	Confident	165 Å²	165	60.3 Å²	60.3	77%	0.771	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-60.3	153.7	-178.4	-68.9	-177	-176.5	0	0	112.3	I355 R422	I355-E357 PolarHBondContact O-N 3.14Å; E357-R422 WeakPolarHBondContact O-CB 3.48Å; E357-R422 PolarHBondContact O-NE 2.97Å; E357-R422 VanDerWaalsContact O-NE 3.09Å
358	P	80.9	Confident	77.7	Confident	80 Å²	80	71.1 Å²	71.1	52%	0.519	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.3	170.3	-20.5	33.1	0	0	0	111.1
359	L	70.3	Confident	77.7	Confident	29 Å²	29	72.8 Å²	72.8	15%	0.152	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-79.4	140.9	170.5	-69.9	164.5	0	0	0	109.4	D363 R422 F424	L359-D363 HydrophobicContact CD2-CB 4.48Å; L359-R422 HydrophobicContact CB-CG 4.21Å; L359-R422 HydrophobicContact CD1-CB 3.76Å; L359-R422 HydrophobicContact CD1-CG 3.67Å; L359-R422 WeakPolarHBondContact CD1-O 3.46Å; L359-R422 HydrophobicContact CG-CB 3.83Å; L359-R422 HydrophobicContact CG-CG 3.66Å; L359-F424 HydrophobicContact CB-CE1 4.34Å; L359-F424 HydrophobicContact CD1-CD1 3.91Å; L359-F424 HydrophobicContact CD1-CD2 4.43Å; L359-F424 HydrophobicContact CD1-CE1 3.68Å; L359-F424 HydrophobicContact CD1-CE2 4.21Å; L359-F424 HydrophobicContact CD1-CG 4.28Å; L359-F424 HydrophobicContact CD1-CZ 3.84Å; L359-F424 HydrophobicContact CD2-CE1 4.46Å; L359-F424 HydrophobicContact CD2-CZ 4.38Å; L359-F424 HydrophobicContact CG-CE1 4.38Å
360	N	67.4	Low	77.7	Confident	87 Å²	87	76 Å²	76	47%	0.465	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.1	139.6	168.4	-167	-44.6	0	0	0	108	S362 D363	N360-S362 PolarHBondContact O-N 2.99Å; N360-S362 PolarHBondContact OD1-N 2.83Å; N360-S362 PolarHBondContact OD1-OG 2.85Å; N360-S362 VanDerWaalsContact OD1-OG 3.08Å; N360-D363 VanDerWaalsContact CB-OD2 3.26Å; N360-D363 WeakPolarHBondContact CB-OD2 3.05Å; N360-D363 PolarHBondContact N-OD2 3.35Å; N360-D363 WeakPolarHBondContact O-CB 2.88Å; N360-D363 PolarHBondContact O-N 2.77Å
361	P	59.3	Low	77.5	Confident	134 Å²	134	76.3 Å²	76.3	87%	0.87	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.7	173.9	-28.7	34.7	0	0	0	115.1
362	S	61.7	Low	77.5	Confident	96 Å²	96	76.3 Å²	76.3	67%	0.671	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.9	179	-37.6	0	0	0	0	113.4	N360	N360-S362 PolarHBondContact O-N 2.99Å; N360-S362 PolarHBondContact OD1-N 2.83Å; N360-S362 PolarHBondContact OD1-OG 2.85Å; N360-S362 VanDerWaalsContact OD1-OG 3.08Å
363	D	62.6	Low	77.5	Confident	68 Å²	68	76.4 Å²	76.4	36%	0.364	40%	0.404	S	S	.	.			trans	-73.7	145	-177.3	-66.1	-20.9	0	0	0	110.7	L359 N360 F424	L359-D363 HydrophobicContact CD2-CB 4.48Å; N360-D363 VanDerWaalsContact CB-OD2 3.26Å; N360-D363 WeakPolarHBondContact CB-OD2 3.05Å; N360-D363 PolarHBondContact N-OD2 3.35Å; N360-D363 WeakPolarHBondContact O-CB 2.88Å; N360-D363 PolarHBondContact O-N 2.77Å; D363-F424 HydrophobicContact CB-CE1 4.21Å; D363-F424 WeakPolarHBondContact O-CE1 3.34Å
364	Y	61.3	Low	77.7	Confident	207 Å²	207	74.3 Å²	74.3	81%	0.812	39%	0.389	S	S	*	.			trans	-124.1	3.8	179.2	53.6	-88.3	0	0	0	112.4
365	T	65.5	Low	77.5	Confident	86 Å²	86	70.8 Å²	70.8	53%	0.528	37%	0.37	S	S	.	.	S	Bend	trans	-126.5	137.6	178.4	53.6	0	0	0	0	110
366	Y	72.9	Confident	77.1	Confident	68 Å²	68	68.7 Å²	68.7	27%	0.267	36%	0.36	S	S	.	.			trans	-67.6	146.2	175.3	-62.4	-82.9	0	0	0	112	R421 R422 F424 D428	Y366-R421 HydrophobicContact CD1-CG 4.31Å; Y366-R421 VanDerWaalsContact CD2-NH2 3.33Å; Y366-R422 WeakPolarHBondContact CD1-O 3.46Å; Y366-F424 AromaticContact CD1-CD2 3.86Å; Y366-F424 HydrophobicContact CD1-CD2 3.86Å; Y366-F424 AromaticContact CD1-CE2 3.58Å; Y366-F424 HydrophobicContact CD1-CE2 3.58Å; Y366-F424 HydrophobicContact CD2-CE2 4.17Å; Y366-F424 AromaticContact CE1-CD2 3.32Å; Y366-F424 HydrophobicContact CE1-CD2 3.32Å; Y366-F424 AromaticContact CE1-CE2 3.52Å; Y366-F424 HydrophobicContact CE1-CE2 3.52Å; Y366-F424 HydrophobicContact CE1-CG 4.46Å; Y366-F424 HydrophobicContact CE2-CD2 4.35Å; Y366-F424 HydrophobicContact CE2-CE2 4.11Å; Y366-F424 AromaticContact CG-CE2 3.92Å; Y366-F424 HydrophobicContact CG-CE2 3.92Å; Y366-F424 AromaticContact CZ-CD2 3.61Å; Y366-F424 AromaticContact CZ-CE2 3.79Å; Y366-D428 VanDerWaalsContact CE1-OD1 3.28Å; Y366-D428 WeakPolarHBondContact CE1-OD1 3.35Å; Y366-D428 VanDerWaalsContact CZ-OD1 3.27Å; Y366-D428 PolarHBondContact OH-OD1 2.91Å
367	G	73.3	Confident	76.7	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	36%	0.359	S	S	.	.			trans	-71.2	179.4	166.9	0	0	0	0	0	113
368	R	83.7	Confident	76.4	Confident	227 Å²	227	60.9 Å²	60.9	86%	0.857	32%	0.323	S	S	*	.			trans	-65.6	143.7	176.4	-66.9	-177.3	179.2	175.5	0.1	111.2
369	S	85.7	Confident	75.9	Confident	55 Å²	55	57.6 Å²	57.6	39%	0.385	30%	0.302	S	S	.	.			trans	-74.1	151.3	171	59.8	0	0	0	0	111.3	Q419 I420	S369-Q419 PolarHBondContact OG-OE1 3.44Å; S369-I420 CarbonylContact C-O 3.57Å; S369-I420 VanDerWaalsContact CA-O 3.23Å; S369-I420 WeakPolarHBondContact CA-O 3.42Å
370	K	88.6	Confident	75.7	Confident	67 Å²	67	57.8 Å²	57.8	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.3	173.8	-63.6	-75.5	-177.2	142.6	0	108.8	D354 P356 Q419 I420	D354-K370 IonicContact OD2-NZ 3.03Å; D354-K370 PolarHBondContact OD2-NZ 2.83Å; P356-K370 HydrophobicContact CG-CB 4.12Å; P356-K370 HydrophobicContact CG-CG 4.03Å; K370-Q419 PolarHBondContact O-OE1 2.66Å; K370-I420 PolarHBondContact N-O 3.33Å; K370-I420 WeakPolarHBondContact O-CG1 3.08Å; K370-I420 PolarHBondContact O-N 2.73Å
371	P	87.7	Confident	75.6	Confident	8 Å²	8	57.1 Å²	57.1	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	146	177.4	30.5	-34.3	0	0	0	111.5	W373 L418	P371-W373 HydrophobicContact CB-CH2 3.7Å; P371-W373 HydrophobicContact CB-CZ2 3.68Å; P371-W373 HydrophobicContact CB-CZ3 4.26Å; P371-W373 HydrophobicContact CG-CH2 3.51Å; P371-W373 HydrophobicContact CG-CZ2 3.92Å; P371-W373 HydrophobicContact CG-CZ3 4.18Å; P371-L418 CarbonylContact C-O 3.46Å; P371-L418 WeakPolarHBondContact CA-O 3.4Å
372	L	89.5	Confident	75.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134	171	179.2	142.6	0	0	0	107.9	F263 W302 M350 V351 F352 I374 L418 I420	F263-L372 HydrophobicContact CE1-CD1 4.36Å; F263-L372 HydrophobicContact CZ-CD1 4.4Å; W302-L372 HydrophobicContact CH2-CD2 4.1Å; M350-L372 HydrophobicContact CG-CD1 3.87Å; M350-L372 HydrophobicContact CG-CD2 3.95Å; M350-L372 HydrophobicContact CG-CG 3.96Å; M350-L372 HydrophobicContact SD-CD1 3.74Å; M350-L372 HydrophobicContact SD-CD2 4.34Å; M350-L372 HydrophobicContact SD-CG 4.41Å; V351-L372 WeakPolarHBondContact O-CA 3.36Å; F352-L372 HydrophobicContact CB-CD1 4.32Å; F352-L372 HydrophobicContact CB-CG 4.46Å; L372-I374 HydrophobicContact CD2-CD1 3.69Å; L372-I374 HydrophobicContact CD2-CG1 3.56Å; L372-L418 HydrophobicContact CD2-CB 4.37Å; L372-L418 HydrophobicContact CD2-CD1 4.23Å; L372-L418 PolarHBondContact N-O 2.97Å; L372-L418 PolarHBondContact O-N 2.79Å; L372-I420 HydrophobicContact CB-CD1 4.41Å; L372-I420 HydrophobicContact CB-CG1 4.4Å; L372-I420 HydrophobicContact CD1-CD1 4.02Å
373	W	88.4	Confident	76.2	Confident	9 Å²	9	47.7 Å²	47.7	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.9	-179	-58.6	-94.3	0	0	0	110.6	L331 M350 V351 P371 L389 Y416	L331-W373 HydrophobicContact CD2-CZ3 4.43Å; M350-W373 CarbonylContact C-O 3.55Å; M350-W373 WeakPolarHBondContact CA-O 3.48Å; V351-W373 HydrophobicContact CB-CB 4.38Å; V351-W373 HydrophobicContact CB-CE3 4.5Å; V351-W373 PolarHBondContact N-O 3.37Å; V351-W373 PolarHBondContact O-N 2.51Å; P371-W373 HydrophobicContact CB-CH2 3.7Å; P371-W373 HydrophobicContact CB-CZ2 3.68Å; P371-W373 HydrophobicContact CB-CZ3 4.26Å; P371-W373 HydrophobicContact CG-CH2 3.51Å; P371-W373 HydrophobicContact CG-CZ2 3.92Å; P371-W373 HydrophobicContact CG-CZ3 4.18Å; W373-L389 HydrophobicContact CD2-CD2 4.2Å; W373-L389 HydrophobicContact CG-CD2 3.99Å; W373-L389 WeakPolarHBondContact CZ2-O 3.18Å; W373-Y416 CarbonylContact C-O 3.51Å; W373-Y416 VanDerWaalsContact CA-O 3.27Å; W373-Y416 WeakPolarHBondContact CA-O 3.5Å
374	I	88.2	Confident	76.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.3	177.4	-58.4	-178.5	0	0	0	109	W302 I311 F312 F348 T349 M350 L372 Y416 L418	W302-I374 HydrophobicContact CH2-CD1 3.43Å; W302-I374 VanDerWaalsContact CH2-CD1 3.43Å; W302-I374 HydrophobicContact CZ2-CD1 3.84Å; W302-I374 HydrophobicContact CZ3-CD1 3.9Å; I311-I374 HydrophobicContact CD1-CB 3.94Å; I311-I374 HydrophobicContact CD1-CD1 4.15Å; I311-I374 HydrophobicContact CD1-CG2 3.86Å; F312-I374 HydrophobicContact CE1-CD1 4.32Å; F312-I374 HydrophobicContact CE1-CG2 3.89Å; F312-I374 HydrophobicContact CZ-CD1 3.8Å; F312-I374 HydrophobicContact CZ-CG2 4.39Å; F348-I374 HydrophobicContact CB-CG2 4.26Å; F348-I374 HydrophobicContact CD1-CG2 4.34Å; T349-I374 WeakPolarHBondContact O-CA 3.45Å; M350-I374 HydrophobicContact CG-CG1 4.45Å; L372-I374 HydrophobicContact CD2-CD1 3.69Å; L372-I374 HydrophobicContact CD2-CG1 3.56Å; I374-Y416 PolarHBondContact N-O 2.84Å; I374-Y416 PolarHBondContact O-N 3.44Å; I374-L418 HydrophobicContact CB-CD1 4.34Å; I374-L418 HydrophobicContact CD1-CD1 3.79Å; I374-L418 HydrophobicContact CG1-CD1 3.93Å
375	Y	82.7	Confident	76.4	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.7	169.7	55.3	-92.4	0	0	0	109.5	F348 T349 V351 H382	F348-Y375 WeakPolarHBondContact CA-O 3.47Å; T349-Y375 VanDerWaalsContact CB-CE2 3.41Å; T349-Y375 VanDerWaalsContact CB-CZ 3.48Å; T349-Y375 HydrophobicContact CG2-CE1 4Å; T349-Y375 HydrophobicContact CG2-CE2 3.96Å; T349-Y375 VanDerWaalsContact CG2-CZ 3.5Å; T349-Y375 VanDerWaalsContact CG2-OH 3.32Å; T349-Y375 WeakPolarHBondContact CG2-OH 3.18Å; T349-Y375 PolarHBondContact N-O 2.82Å; T349-Y375 PolarHBondContact O-N 2.68Å; V351-Y375 HydrophobicContact CG2-CE1 3.77Å; Y375-H382 HydrophobicContact CD1-CB 4.34Å; Y375-H382 HydrophobicContact CE1-CB 3.75Å; Y375-H382 HydrophobicContact CE2-CB 4.24Å
376	P	78	Confident	76.2	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	149.6	-179.9	32.9	-36.7	0	0	0	111.1	D52 Q54 F348	D52-P376 CarbonylContact O-C 3.48Å; D52-P376 WeakPolarHBondContact O-CB 3.46Å; D52-P376 WeakPolarHBondContact O-CG 3.47Å; Q54-P376 HydrophobicContact CG-CB 3.95Å; Q54-P376 HydrophobicContact CG-CG 3.46Å; Q54-P376 VanDerWaalsContact CG-CG 3.46Å; F348-P376 HydrophobicContact CD1-CB 3.94Å; F348-P376 HydrophobicContact CE1-CB 3.93Å
377	G	78.3	Confident	75.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	60.4	-143.4	175.1	0	0	0	0	0	115.3	H51 D52 I347 T349	H51-G377 WeakPolarHBondContact O-CA 3.31Å; D52-G377 PolarHBondContact O-N 2.76Å; I347-G377 PolarHBondContact O-N 3.12Å; T349-G377 PolarHBondContact OG1-O 2.77Å
378	L	77.6	Confident	74.6	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-123.9	77.3	-174.6	-77	157.5	0	0	0	110.8	H51 W85 L245 I247 W326 L335 S380	H51-L378 PolarHBondContact O-N 3.05Å; W85-L378 HydrophobicContact CZ3-CD1 4.31Å; L245-L378 HydrophobicContact CB-CB 4.5Å; L245-L378 HydrophobicContact CB-CD2 4.19Å; L245-L378 HydrophobicContact CD1-CD2 4.29Å; I247-L378 HydrophobicContact CB-CD1 4.15Å; I247-L378 HydrophobicContact CD1-CD1 3.88Å; I247-L378 HydrophobicContact CG1-CD1 3.66Å; I247-L378 HydrophobicContact CG2-CD1 3.54Å; I247-L378 HydrophobicContact CG2-CD2 4.39Å; W326-L378 HydrophobicContact CH2-CD2 4.48Å; L335-L378 HydrophobicContact CD1-CD2 4.08Å; L335-L378 HydrophobicContact CD2-CD2 3.62Å; L335-L378 HydrophobicContact CD2-CG 4.14Å; L335-L378 HydrophobicContact CG-CD2 4.42Å; L378-S380 PolarHBondContact O-N 2.76Å
379	S	71.9	Confident	73.4	Confident	12 Å²	12	28.8 Å²	28.8	8%	0.084	15%	0.147	C	C	.	.			trans	-77.5	116.7	175.4	-175.1	0	0	0	0	111.5	H382 Y383	S379-H382 WeakPolarHBondContact CB-ND1 3.18Å; S379-H382 PolarHBondContact OG-ND1 2.66Å; S379-Y383 PolarHBondContact O-N 2.58Å
380	S	65	Low	72	Confident	32 Å²	32	29.7 Å²	29.7	22%	0.224	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-33.2	174.7	55.8	0	0	0	0	112.4	S243 L378 H382 Y383 Q384	S243-S380 WeakPolarHBondContact O-CB 3.36Å; S243-S380 PolarHBondContact O-OG 2.97Å; L378-S380 PolarHBondContact O-N 2.76Å; S380-H382 PolarHBondContact O-N 3.2Å; S380-Y383 CarbonylContact O-C 3.58Å; S380-Y383 WeakPolarHBondContact O-CB 3.43Å; S380-Y383 PolarHBondContact O-N 3.27Å; S380-Y383 VanDerWaalsContact O-N 3.14Å; S380-Q384 WeakPolarHBondContact O-CB 3.3Å; S380-Q384 WeakPolarHBondContact O-CG 3.47Å; S380-Q384 PolarHBondContact O-N 2.66Å
381	K	65.3	Low	70.3	Confident	73 Å²	73	31.1 Å²	31.1	32%	0.317	16%	0.158	S	C	.	.	H	α-helix	trans	-57.1	-49.8	175.1	-71.1	-168.9	-175.8	-175.7	0	110.7	Y383 Q384 Y385 E412	K381-Y383 VanDerWaalsContact C-N 3.26Å; K381-Y383 PolarHBondContact O-N 2.87Å; K381-Q384 PolarHBondContact O-N 2.82Å; K381-Y385 WeakPolarHBondContact O-CD2 3.44Å; K381-Y385 PolarHBondContact O-N 3.12Å; K381-E412 IonicContact NZ-OE1 3.36Å; K381-E412 PolarHBondContact NZ-OE1 3.35Å
382	H	66.9	Low	68.6	Low	12 Å²	12	31.7 Å²	31.7	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-34.4	178.2	-67.9	89.3	0	0	0	112.3	Y375 S379 S380	Y375-H382 HydrophobicContact CD1-CB 4.34Å; Y375-H382 HydrophobicContact CE1-CB 3.75Å; Y375-H382 HydrophobicContact CE2-CB 4.24Å; S379-H382 WeakPolarHBondContact CB-ND1 3.18Å; S379-H382 PolarHBondContact OG-ND1 2.66Å; S380-H382 PolarHBondContact O-N 3.2Å
383	Y	66.3	Low	66.4	Low	21 Å²	21	38.4 Å²	38.4	8%	0.082	19%	0.193	C	C	.	.	H	α-helix	trans	-73	-36.4	176.5	178.3	-106.5	0	0	0	113.3	L245 W326 K328 Y333 S379 S380 K381	L245-Y383 HydrophobicContact CD1-CD1 4Å; L245-Y383 HydrophobicContact CD1-CD2 4.07Å; L245-Y383 HydrophobicContact CD1-CE1 4.5Å; L245-Y383 HydrophobicContact CD1-CG 3.75Å; L245-Y383 HydrophobicContact CD2-CD1 4.17Å; L245-Y383 HydrophobicContact CD2-CE1 4Å; L245-Y383 HydrophobicContact CG-CD1 4.21Å; L245-Y383 HydrophobicContact CG-CG 4.45Å; W326-Y383 AromaticContact NE1-CE2 3.39Å; K328-Y383 HydrophobicContact CB-CE2 4.34Å; K328-Y383 HydrophobicContact CD-CD2 4.06Å; K328-Y383 HydrophobicContact CD-CE1 4.22Å; K328-Y383 HydrophobicContact CD-CE2 3.39Å; K328-Y383 HydrophobicContact CG-CE2 4.47Å; K328-Y383 PolarHBondContact NZ-O 3.01Å; Y333-Y383 HydrophobicContact CD1-CD2 4.41Å; Y333-Y383 HydrophobicContact CE1-CD2 4.08Å; S379-Y383 PolarHBondContact O-N 2.58Å; S380-Y383 CarbonylContact O-C 3.58Å; S380-Y383 WeakPolarHBondContact O-CB 3.43Å; S380-Y383 PolarHBondContact O-N 3.27Å; S380-Y383 VanDerWaalsContact O-N 3.14Å; K381-Y383 VanDerWaalsContact C-N 3.26Å; K381-Y383 PolarHBondContact O-N 2.87Å
384	Q	64.3	Low	64.2	Low	54 Å²	54	40.5 Å²	40.5	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-72.3	-40.6	179	-76.8	176.8	-51.4	0	0	111.7	S380 K381 S386	S380-Q384 WeakPolarHBondContact O-CB 3.3Å; S380-Q384 WeakPolarHBondContact O-CG 3.47Å; S380-Q384 PolarHBondContact O-N 2.66Å; K381-Q384 PolarHBondContact O-N 2.82Å; Q384-S386 VanDerWaalsContact C-N 3.31Å; Q384-S386 PolarHBondContact O-N 3.01Å
385	Y	63.9	Low	61.9	Low	109 Å²	109	46 Å²	46	43%	0.427	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	39.9	-179	-58.5	-70.1	0	0	0	112.7	K381 T387 L388	K381-Y385 WeakPolarHBondContact O-CD2 3.44Å; K381-Y385 PolarHBondContact O-N 3.12Å; Y385-T387 PolarHBondContact O-N 2.79Å; Y385-L388 HydrophobicContact CD1-CD1 4.15Å; Y385-L388 HydrophobicContact CG-CD1 4.01Å; Y385-L388 WeakPolarHBondContact O-CB 3.45Å; Y385-L388 PolarHBondContact O-N 2.9Å
386	S	61.6	Low	59.9	Low	2 Å²	2	53.4 Å²	53.4	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-52.2	-37.6	177	37.7	0	0	0	0	113.2	D329 L331 Y333 Q384 L388 L389	D329-S386 PolarHBondContact OD2-OG 2.86Å; L331-S386 WeakPolarHBondContact CD1-O 3.18Å; Y333-S386 VanDerWaalsContact OH-CB 3.32Å; Y333-S386 WeakPolarHBondContact OH-CB 3.46Å; Q384-S386 VanDerWaalsContact C-N 3.31Å; Q384-S386 PolarHBondContact O-N 3.01Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 2.01Å; S386-L389 PolarHBondContact O-N 3.16Å
387	T	57.3	Low	58	Low	80 Å²	80	54.5 Å²	54.5	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-32	176.8	45.6	0	0	0	0	113	Y385 L390 D391	Y385-T387 PolarHBondContact O-N 2.79Å; T387-L390 PolarHBondContact O-N 3.19Å; T387-D391 PolarHBondContact O-N 3.32Å
388	L	55.8	Low	56.3	Low	47 Å²	47	58.5 Å²	58.5	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-43.5	175.6	-63.5	179.4	0	0	0	110.2	Y385 S386 L390 D391 S392 F397 I401	Y385-L388 HydrophobicContact CD1-CD1 4.15Å; Y385-L388 HydrophobicContact CG-CD1 4.01Å; Y385-L388 WeakPolarHBondContact O-CB 3.45Å; Y385-L388 PolarHBondContact O-N 2.9Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 2.01Å; L388-L390 PolarHBondContact O-N 3.2Å; L388-D391 PolarHBondContact O-N 2.9Å; L388-S392 PolarHBondContact O-N 3.28Å; L388-F397 VanDerWaalsContact C-CZ 3.47Å; L388-F397 HydrophobicContact CB-CE2 4.15Å; L388-F397 HydrophobicContact CB-CZ 3.98Å; L388-F397 WeakPolarHBondContact O-CE2 3.29Å; L388-F397 WeakPolarHBondContact O-CZ 3.15Å; L388-I401 HydrophobicContact CB-CD1 3.97Å; L388-I401 HydrophobicContact CD1-CD1 3.98Å; L388-I401 HydrophobicContact CD1-CG1 3.87Å; L388-I401 HydrophobicContact CD2-CD1 4.31Å; L388-I401 HydrophobicContact CG-CD1 4.31Å
389	L	59.5	Low	54.7	Low	10 Å²	10	63 Å²	63	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-56.5	-33.1	179.9	-67.4	169.5	0	0	0	113	L331 V351 W373 S386 S392	L331-L389 HydrophobicContact CD1-CB 4.18Å; L331-L389 HydrophobicContact CD1-CD1 4.32Å; V351-L389 HydrophobicContact CG1-CD1 4.29Å; W373-L389 HydrophobicContact CD2-CD2 4.2Å; W373-L389 HydrophobicContact CG-CD2 3.99Å; W373-L389 WeakPolarHBondContact CZ2-O 3.18Å; S386-L389 PolarHBondContact O-N 3.16Å; L389-S392 PolarHBondContact O-OG 3.01Å
390	L	55.8	Low	53.2	Low	74 Å²	74	66.5 Å²	66.5	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-70.6	-33.7	176.1	-72	155.1	0	0	0	113.3	L331 T387 L388 S392	L331-L390 HydrophobicContact CD1-CD1 4.45Å; L331-L390 HydrophobicContact CD1-CG 4.36Å; L331-L390 HydrophobicContact CD2-CD2 3.92Å; L331-L390 HydrophobicContact CD2-CG 4.1Å; L331-L390 HydrophobicContact CG-CD1 4.32Å; L331-L390 HydrophobicContact CG-CD2 4.46Å; L331-L390 HydrophobicContact CG-CG 4.28Å; T387-L390 PolarHBondContact O-N 3.19Å; L388-L390 PolarHBondContact O-N 3.2Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.19Å
391	D	53.4	Low	52	Low	96 Å²	96	65.6 Å²	65.6	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-82.5	-0.4	-178.3	-93.6	-18.3	0	0	0	114.7	T387 L388 H393 S394 F397	T387-D391 PolarHBondContact O-N 3.32Å; L388-D391 PolarHBondContact O-N 2.9Å; D391-H393 PolarHBondContact O-N 3.22Å; D391-S394 PolarHBondContact O-N 3.44Å; D391-S394 PolarHBondContact O-OG 2.8Å; D391-S394 VanDerWaalsContact O-OG 3.04Å; D391-F397 VanDerWaalsContact C-CD2 3.48Å; D391-F397 HydrophobicContact CB-CD2 3.98Å; D391-F397 HydrophobicContact CB-CE2 3.74Å; D391-F397 WeakPolarHBondContact O-CD2 3.29Å
392	S	50.2	Low	50.8	Low	20 Å²	20	64.1 Å²	64.1	14%	0.14	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	0.9	178.6	66.8	0	0	0	0	115.3	L388 L389 L390	L388-S392 PolarHBondContact O-N 3.28Å; L389-S392 PolarHBondContact O-OG 3.01Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.19Å
393	H	45.1	Very low	49.5	Very low	142 Å²	142	71.6 Å²	71.6	66%	0.657	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.6	169.4	-74.7	-59.8	0	0	0	113.9	D391	D391-H393 PolarHBondContact O-N 3.22Å
394	S	40.9	Very low	48.2	Very low	53 Å²	53	75.1 Å²	75.1	37%	0.371	40%	0.399	S	S	.	.	S	Bend	trans	-91	134.9	176.2	76.7	0	0	0	0	111	D391 H396 F397	D391-S394 PolarHBondContact O-N 3.44Å; D391-S394 PolarHBondContact O-OG 2.8Å; D391-S394 VanDerWaalsContact O-OG 3.04Å; S394-H396 PolarHBondContact O-N 3.12Å; S394-F397 WeakPolarHBondContact O-CB 3.5Å; S394-F397 PolarHBondContact O-N 3.24Å
395	S	39.4	Very low	47	Very low	116 Å²	116	73.7 Å²	73.7	81%	0.811	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	10.4	176.5	51.6	0	0	0	0	114.5
396	H	40.9	Very low	45.8	Very low	159 Å²	159	72.7 Å²	72.7	74%	0.736	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	7.9	176.1	-83.8	11.2	0	0	0	113.3	S394 D398	S394-H396 PolarHBondContact O-N 3.12Å; H396-D398 PolarHBondContact O-N 2.93Å
397	F	39.6	Very low	44.8	Very low	28 Å²	28	76.4 Å²	76.4	12%	0.123	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.4	176.6	-144.5	-113.7	0	0	0	114.1	L388 D391 S394 T399 I401	L388-F397 VanDerWaalsContact C-CZ 3.47Å; L388-F397 HydrophobicContact CB-CE2 4.15Å; L388-F397 HydrophobicContact CB-CZ 3.98Å; L388-F397 WeakPolarHBondContact O-CE2 3.29Å; L388-F397 WeakPolarHBondContact O-CZ 3.15Å; D391-F397 VanDerWaalsContact C-CD2 3.48Å; D391-F397 HydrophobicContact CB-CD2 3.98Å; D391-F397 HydrophobicContact CB-CE2 3.74Å; D391-F397 WeakPolarHBondContact O-CD2 3.29Å; S394-F397 WeakPolarHBondContact O-CB 3.5Å; S394-F397 PolarHBondContact O-N 3.24Å; F397-T399 PolarHBondContact O-N 2.89Å; F397-I401 HydrophobicContact CD1-CD1 3.59Å; F397-I401 HydrophobicContact CD2-CD1 4.02Å; F397-I401 HydrophobicContact CE1-CD1 3.08Å; F397-I401 HydrophobicContact CE1-CG1 4.49Å; F397-I401 HydrophobicContact CE2-CD1 3.51Å; F397-I401 HydrophobicContact CG-CD1 4.03Å; F397-I401 HydrophobicContact CZ-CD1 3.01Å
398	D	42.3	Very low	43.9	Very low	84 Å²	84	82 Å²	82	45%	0.449	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.2	-155.9	-147.4	3.2	0	0	0	115.2	H396 T402	H396-D398 PolarHBondContact O-N 2.93Å; D398-T402 PolarHBondContact O-OG1 2.78Å
399	T	43.3	Very low	43	Very low	98 Å²	98	88.3 Å²	88.3	60%	0.601	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-30.2	-175.2	50.9	0	0	0	0	115.6	F397 K403	F397-T399 PolarHBondContact O-N 2.89Å; T399-K403 WeakPolarHBondContact O-CB 3.35Å; T399-K403 WeakPolarHBondContact O-CG 3.48Å; T399-K403 PolarHBondContact O-N 3.08Å
400	T	40.2	Very low	42.3	Very low	87 Å²	87	89.7 Å²	89.7	53%	0.534	46%	0.463	S	S	.	.	H	α-helix	trans	-87.6	-34	-173	-18.7	0	0	0	0	111.4	N404	T400-N404 WeakPolarHBondContact O-CB 3.1Å; T400-N404 VanDerWaalsContact O-CG 3.31Å; T400-N404 PolarHBondContact O-N 2.99Å; T400-N404 VanDerWaalsContact O-N 3.1Å; T400-N404 PolarHBondContact O-ND2 2.99Å
401	I	39.6	Very low	41.9	Very low	12 Å²	12	90.4 Å²	90.4	6%	0.062	46%	0.461	C	S	.	.	H	α-helix	trans	-81.2	-47.2	179.8	-74.4	169.9	0	0	0	110.7	L388 F397 K403 N404 W405	L388-I401 HydrophobicContact CB-CD1 3.97Å; L388-I401 HydrophobicContact CD1-CD1 3.98Å; L388-I401 HydrophobicContact CD1-CG1 3.87Å; L388-I401 HydrophobicContact CD2-CD1 4.31Å; L388-I401 HydrophobicContact CG-CD1 4.31Å; F397-I401 HydrophobicContact CD1-CD1 3.59Å; F397-I401 HydrophobicContact CD2-CD1 4.02Å; F397-I401 HydrophobicContact CE1-CD1 3.08Å; F397-I401 HydrophobicContact CE1-CG1 4.49Å; F397-I401 HydrophobicContact CE2-CD1 3.51Å; F397-I401 HydrophobicContact CG-CD1 4.03Å; F397-I401 HydrophobicContact CZ-CD1 3.01Å; I401-K403 PolarHBondContact O-N 3.25Å; I401-N404 CarbonylContact O-C 3.59Å; I401-N404 PolarHBondContact O-N 2.84Å; I401-N404 VanDerWaalsContact O-N 3.09Å; I401-W405 HydrophobicContact CG2-CB 4.42Å; I401-W405 HydrophobicContact CG2-CD2 3.32Å; I401-W405 HydrophobicContact CG2-CE3 3.25Å; I401-W405 HydrophobicContact CG2-CG 3.85Å; I401-W405 HydrophobicContact CG2-CH2 3.95Å; I401-W405 HydrophobicContact CG2-CZ2 4.01Å; I401-W405 HydrophobicContact CG2-CZ3 3.59Å; I401-W405 WeakPolarHBondContact O-CA 3.01Å; I401-W405 WeakPolarHBondContact O-CB 3.46Å; I401-W405 PolarHBondContact O-N 3.29Å
402	T	40.6	Very low	41.9	Very low	42 Å²	42	88.1 Å²	88.1	26%	0.258	45%	0.447	S	S	.	.	H	α-helix	trans	-56.8	-34.4	171.9	41.6	0	0	0	0	112.1	D398 N406	D398-T402 PolarHBondContact O-OG1 2.78Å; T402-N406 WeakPolarHBondContact O-CA 2.77Å; T402-N406 WeakPolarHBondContact O-CB 3.49Å; T402-N406 VanDerWaalsContact O-CG 3.24Å; T402-N406 PolarHBondContact O-N 3.3Å; T402-N406 PolarHBondContact O-ND2 3.3Å
403	K	40.5	Very low	42.3	Very low	169 Å²	169	87.5 Å²	87.5	74%	0.735	44%	0.443	S	S	*	.	H	α-helix	trans	-73.1	-38.3	173	-84.5	-176.8	173.7	179.8	0	114.1	T399 I401	T399-K403 WeakPolarHBondContact O-CB 3.35Å; T399-K403 WeakPolarHBondContact O-CG 3.48Å; T399-K403 PolarHBondContact O-N 3.08Å; I401-K403 PolarHBondContact O-N 3.25Å
404	N	38.5	Very low	43.4	Very low	96 Å²	96	81.3 Å²	81.3	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-82.7	-20.5	-179.7	-73.7	-11.3	0	0	0	113.7	T400 I401	T400-N404 WeakPolarHBondContact O-CB 3.1Å; T400-N404 VanDerWaalsContact O-CG 3.31Å; T400-N404 PolarHBondContact O-N 2.99Å; T400-N404 VanDerWaalsContact O-N 3.1Å; T400-N404 PolarHBondContact O-ND2 2.99Å; I401-N404 CarbonylContact O-C 3.59Å; I401-N404 PolarHBondContact O-N 2.84Å; I401-N404 VanDerWaalsContact O-N 3.09Å
405	W	38.5	Very low	45.2	Very low	24 Å²	24	79.2 Å²	79.2	9%	0.091	40%	0.401	C	S	.	.	H	α-helix	trans	-108.8	-23.9	-175.8	-66.1	5.2	0	0	0	112.8	V275 I401 D407 E412	V275-W405 HydrophobicContact CB-CZ3 4.48Å; V275-W405 HydrophobicContact CG1-CE3 4.49Å; V275-W405 HydrophobicContact CG1-CZ3 3.68Å; I401-W405 HydrophobicContact CG2-CB 4.42Å; I401-W405 HydrophobicContact CG2-CD2 3.32Å; I401-W405 HydrophobicContact CG2-CE3 3.25Å; I401-W405 HydrophobicContact CG2-CG 3.85Å; I401-W405 HydrophobicContact CG2-CH2 3.95Å; I401-W405 HydrophobicContact CG2-CZ2 4.01Å; I401-W405 HydrophobicContact CG2-CZ3 3.59Å; I401-W405 WeakPolarHBondContact O-CA 3.01Å; I401-W405 WeakPolarHBondContact O-CB 3.46Å; I401-W405 PolarHBondContact O-N 3.29Å; W405-D407 VanDerWaalsContact C-N 3.32Å; W405-D407 PolarHBondContact O-N 3.43Å; W405-E412 WeakPolarHBondContact CA-OE2 3.3Å; W405-E412 WeakPolarHBondContact CB-OE2 2.84Å
406	N	38.3	Very low	47.3	Very low	88 Å²	88	75.5 Å²	75.5	47%	0.471	37%	0.369	S	S	.	.			trans	-90.5	24.9	173.3	-62.5	-37.2	0	0	0	113.8	T402 Q408	T402-N406 WeakPolarHBondContact O-CA 2.77Å; T402-N406 WeakPolarHBondContact O-CB 3.49Å; T402-N406 VanDerWaalsContact O-CG 3.24Å; T402-N406 PolarHBondContact O-N 3.3Å; T402-N406 PolarHBondContact O-ND2 3.3Å; N406-Q408 VanDerWaalsContact C-N 3.33Å; N406-Q408 PolarHBondContact O-N 3.2Å
407	D	40.8	Very low	49.4	Very low	80 Å²	80	71.3 Å²	71.3	43%	0.428	35%	0.347	S	S	.	.			trans	-66.7	101.4	167.3	-160.5	-12.8	0	0	0	107.9	W405 R409 T410	W405-D407 VanDerWaalsContact C-N 3.32Å; W405-D407 PolarHBondContact O-N 3.43Å; D407-R409 PolarHBondContact O-N 3.22Å; D407-R409 IonicContact OD1-NE 3.66Å; D407-T410 PolarHBondContact O-N 3.23Å; D407-T410 PolarHBondContact O-OG1 3.11Å
408	Q	38.1	Very low	51.7	Low	197 Å²	197	70 Å²	70	92%	0.921	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-12.4	-173.8	-71.5	-177.8	-16.8	0	0	113.1	N406	N406-Q408 VanDerWaalsContact C-N 3.33Å; N406-Q408 PolarHBondContact O-N 3.2Å
409	R	37.7	Very low	53.9	Low	180 Å²	180	67 Å²	67	68%	0.679	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.5	175.9	-71.6	-173.5	-94.2	-160.4	-6.8	113.7	D407	D407-R409 PolarHBondContact O-N 3.22Å; D407-R409 IonicContact OD1-NE 3.66Å
410	T	44.3	Very low	56	Low	38 Å²	38	62.5 Å²	62.5	23%	0.233	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-103.1	122.7	177	39.6	0	0	0	0	110.6	D407 E412	D407-T410 PolarHBondContact O-N 3.23Å; D407-T410 PolarHBondContact O-OG1 3.11Å; T410-E412 PolarHBondContact O-N 2.83Å
411	Y	47.6	Very low	58.2	Low	90 Å²	90	60.7 Å²	60.7	35%	0.353	28%	0.28	S	S	.	.			trans	-63.9	100.9	170.2	-167.3	-102.9	0	0	0	109.3	Q54 I129	Q54-Y411 PolarHBondContact OE1-OH 3.12Å; I129-Y411 HydrophobicContact CD1-CD2 4.2Å; I129-Y411 HydrophobicContact CD1-CE2 4.43Å; I129-Y411 VanDerWaalsContact CG2-CB 3.45Å; I129-Y411 HydrophobicContact CG2-CD2 3.36Å; I129-Y411 HydrophobicContact CG2-CE2 4.33Å; I129-Y411 HydrophobicContact CG2-CG 3.62Å
412	E	54.1	Low	60.4	Low	48 Å²	48	60.7 Å²	60.7	22%	0.224	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-96.2	121.7	176.8	-69.1	-149.7	157.8	0	0	111.5	K381 W405 T410	K381-E412 IonicContact NZ-OE1 3.36Å; K381-E412 PolarHBondContact NZ-OE1 3.35Å; W405-E412 WeakPolarHBondContact CA-OE2 3.3Å; W405-E412 WeakPolarHBondContact CB-OE2 2.84Å; T410-E412 PolarHBondContact O-N 2.83Å
413	S	58.8	Low	62.2	Low	7 Å²	7	58.9 Å²	58.9	5%	0.049	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.2	127.5	171	-73.6	0	0	0	0	110.5	D52 A415	D52-S413 WeakPolarHBondContact CB-OG 3.29Å; D52-S413 VanDerWaalsContact CG-OG 3.29Å; D52-S413 WeakPolarHBondContact OD2-CB 3.45Å; D52-S413 PolarHBondContact OD2-OG 2.94Å; S413-A415 PolarHBondContact O-N 3.44Å
414	P	68.2	Low	63.6	Low	11 Å²	11	53.7 Å²	53.7	7%	0.071	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60.6	123.6	178.5	25.4	-30.9	0	0	0	110.4	R274 Y416	R274-P414 HydrophobicContact CG-CB 4.46Å; P414-Y416 HydrophobicContact CB-CE1 4.43Å; P414-Y416 HydrophobicContact CB-CE2 3.9Å; P414-Y416 HydrophobicContact CG-CE2 3.89Å; P414-Y416 WeakPolarHBondContact CG-OH 3.49Å; P414-Y416 WeakPolarHBondContact O-CE2 3.48Å
415	A	77.5	Confident	65.1	Low	9 Å²	9	49.3 Å²	49.3	7%	0.074	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-87.5	139.3	163.3	0	0	0	0	0	110.1	V275 S413	V275-A415 HydrophobicContact CB-CB 4.21Å; V275-A415 HydrophobicContact CG2-CB 3.96Å; V275-A415 WeakPolarHBondContact CG2-O 3.31Å; V275-A415 PolarHBondContact N-O 3.04Å; S413-A415 PolarHBondContact O-N 3.44Å
416	Y	83	Confident	66.2	Low	39 Å²	39	49.4 Å²	49.4	15%	0.153	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.7	178.5	-57.6	-84.6	0	0	0	109.4	L272 T273 I281 I311 W373 I374 P414	L272-Y416 HydrophobicContact CD1-CD1 4.38Å; T273-Y416 WeakPolarHBondContact O-CA 2.81Å; I281-Y416 HydrophobicContact CD1-CD1 3.63Å; I281-Y416 HydrophobicContact CD1-CE1 3.56Å; I311-Y416 HydrophobicContact CB-CD1 4.43Å; I311-Y416 HydrophobicContact CB-CD2 4.15Å; I311-Y416 HydrophobicContact CB-CE1 4.36Å; I311-Y416 HydrophobicContact CB-CE2 4.09Å; I311-Y416 HydrophobicContact CB-CG 4.31Å; I311-Y416 HydrophobicContact CD1-CD2 3.82Å; I311-Y416 HydrophobicContact CD1-CG 3.92Å; I311-Y416 HydrophobicContact CG2-CD1 3.66Å; I311-Y416 HydrophobicContact CG2-CD2 4.23Å; I311-Y416 HydrophobicContact CG2-CE1 3.75Å; I311-Y416 HydrophobicContact CG2-CE2 4.32Å; I311-Y416 HydrophobicContact CG2-CG 3.89Å; W373-Y416 CarbonylContact C-O 3.51Å; W373-Y416 VanDerWaalsContact CA-O 3.27Å; W373-Y416 WeakPolarHBondContact CA-O 3.5Å; I374-Y416 PolarHBondContact N-O 2.84Å; I374-Y416 PolarHBondContact O-N 3.44Å; P414-Y416 HydrophobicContact CB-CE1 4.43Å; P414-Y416 HydrophobicContact CB-CE2 3.9Å; P414-Y416 HydrophobicContact CG-CE2 3.89Å; P414-Y416 WeakPolarHBondContact CG-OH 3.49Å; P414-Y416 WeakPolarHBondContact O-CE2 3.48Å
417	R	85.5	Confident	67.2	Low	70 Å²	70	47.2 Å²	47.2	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124	169.8	-178.7	-176.7	77.3	176.9	1.8	108.6	T273 V275	T273-R417 PolarHBondContact N-O 3.34Å; T273-R417 PolarHBondContact O-N 2.76Å; T273-R417 WeakPolarHBondContact OG1-CB 3.34Å; T273-R417 PolarHBondContact OG1-O 2.77Å; T273-R417 VanDerWaalsContact OG1-O 3.08Å; V275-R417 HydrophobicContact CG2-CB 4.09Å
418	L	88.7	Confident	68.1	Low	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.2	172.3	-65.9	88.8	0	0	0	108.7	I269 S271 L272 W302 I311 P371 L372 I374	I269-L418 HydrophobicContact CD1-CD2 3.91Å; I269-L418 HydrophobicContact CG1-CD2 4.19Å; I269-L418 HydrophobicContact CG2-CB 4.45Å; I269-L418 HydrophobicContact CG2-CD2 4.03Å; S271-L418 WeakPolarHBondContact O-CA 3.49Å; L272-L418 HydrophobicContact CD1-CD1 3.96Å; L272-L418 HydrophobicContact CD1-CD2 4.33Å; L272-L418 HydrophobicContact CD1-CG 3.76Å; W302-L418 HydrophobicContact CZ3-CD2 3.97Å; I311-L418 HydrophobicContact CD1-CD1 4.35Å; P371-L418 CarbonylContact C-O 3.46Å; P371-L418 WeakPolarHBondContact CA-O 3.4Å; L372-L418 HydrophobicContact CD2-CB 4.37Å; L372-L418 HydrophobicContact CD2-CD1 4.23Å; L372-L418 PolarHBondContact N-O 2.97Å; L372-L418 PolarHBondContact O-N 2.79Å; I374-L418 HydrophobicContact CB-CD1 4.34Å; I374-L418 HydrophobicContact CD1-CD1 3.79Å; I374-L418 HydrophobicContact CG1-CD1 3.93Å
419	Q	87.9	Confident	69	Low	21 Å²	21	35.3 Å²	35.3	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.2	166.3	-68.7	-66.8	-25.4	0	0	108	I269 T270 S271 S369 K370	I269-Q419 CarbonylContact C-O 3.57Å; I269-Q419 WeakPolarHBondContact CA-O 3.32Å; T270-Q419 PolarHBondContact N-O 3.09Å; T270-Q419 WeakPolarHBondContact OG1-CB 3.22Å; T270-Q419 PolarHBondContact OG1-O 3.14Å; S271-Q419 PolarHBondContact O-N 2.86Å; S271-Q419 WeakPolarHBondContact OG-CB 3.21Å; S271-Q419 WeakPolarHBondContact OG-CG 2.92Å; S369-Q419 PolarHBondContact OG-OE1 3.44Å; K370-Q419 PolarHBondContact O-OE1 2.66Å
420	I	88.6	Confident	69.8	Low	4 Å²	4	28.1 Å²	28.1	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	-179.7	61.2	163.7	0	0	0	111	F267 Q268 I269 L290 P356 S369 K370 L372	F267-I420 HydrophobicContact CB-CB 4.41Å; F267-I420 HydrophobicContact CD1-CD1 4.27Å; Q268-I420 CarbonylContact O-C 3.52Å; Q268-I420 VanDerWaalsContact O-CA 3.31Å; Q268-I420 WeakPolarHBondContact O-CA 3.47Å; I269-I420 HydrophobicContact CG1-CG2 4.2Å; L290-I420 HydrophobicContact CD2-CD1 4.5Å; L290-I420 HydrophobicContact CD2-CG2 4.18Å; P356-I420 HydrophobicContact CG-CD1 4.27Å; P356-I420 HydrophobicContact CG-CG1 4.08Å; P356-I420 WeakPolarHBondContact CG-O 3.23Å; S369-I420 CarbonylContact C-O 3.57Å; S369-I420 VanDerWaalsContact CA-O 3.23Å; S369-I420 WeakPolarHBondContact CA-O 3.42Å; K370-I420 PolarHBondContact N-O 3.33Å; K370-I420 WeakPolarHBondContact O-CG1 3.08Å; K370-I420 PolarHBondContact O-N 2.73Å; L372-I420 HydrophobicContact CB-CD1 4.41Å; L372-I420 HydrophobicContact CB-CG1 4.4Å; L372-I420 HydrophobicContact CD1-CD1 4.02Å
421	R	85.4	Confident	70.2	Confident	50 Å²	50	29 Å²	29	19%	0.189	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.8	168.8	68.1	-172.5	-174	-178.7	-3.8	109.5	F267 Q268 T270 Y366 A423	F267-R421 CarbonylContact C-O 3.54Å; F267-R421 VanDerWaalsContact CA-O 3.24Å; F267-R421 WeakPolarHBondContact CA-O 3.12Å; F267-R421 WeakPolarHBondContact CB-O 3.2Å; Q268-R421 HydrophobicContact CB-CG 4.14Å; Q268-R421 PolarHBondContact N-O 3.33Å; Q268-R421 PolarHBondContact O-N 2.02Å; Q268-R421 VanDerWaalsContact OE1-CZ 3.29Å; T270-R421 HydrophobicContact CG2-CG 3.98Å; Y366-R421 HydrophobicContact CD1-CG 4.31Å; Y366-R421 VanDerWaalsContact CD2-NH2 3.33Å; R421-A423 PolarHBondContact O-N 2.89Å
422	R	85.2	Confident	70.4	Confident	12 Å²	12	26.2 Å²	26.2	5%	0.045	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.9	178.5	-170.9	67.6	67.6	177.4	3.3	110.1	V264 P356 E357 L359 Y366 N541	V264-R422 PolarHBondContact O-NH1 3.47Å; P356-R422 HydrophobicContact CB-CB 4.27Å; P356-R422 VanDerWaalsContact O-CZ 3.32Å; P356-R422 PolarHBondContact O-NE 2.87Å; P356-R422 PolarHBondContact O-NH2 3.08Å; E357-R422 WeakPolarHBondContact O-CB 3.48Å; E357-R422 PolarHBondContact O-NE 2.97Å; E357-R422 VanDerWaalsContact O-NE 3.09Å; L359-R422 HydrophobicContact CB-CG 4.21Å; L359-R422 HydrophobicContact CD1-CB 3.76Å; L359-R422 HydrophobicContact CD1-CG 3.67Å; L359-R422 WeakPolarHBondContact CD1-O 3.46Å; L359-R422 HydrophobicContact CG-CB 3.83Å; L359-R422 HydrophobicContact CG-CG 3.66Å; Y366-R422 WeakPolarHBondContact CD1-O 3.46Å; R422-N541 VanDerWaalsContact CD-O 3.27Å; R422-N541 WeakPolarHBondContact CD-O 3.4Å; R422-N541 PolarHBondContact NH1-O 3.11Å
423	A	79.5	Confident	70.3	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.033	12%	0.124	C	C	.	.			trans	-81.8	152.8	176.3	0	0	0	0	0	111.2	G266 R421 G425 D428 G542	G266-A423 WeakPolarHBondContact O-CB 3.32Å; G266-A423 PolarHBondContact O-N 2.86Å; G266-A423 VanDerWaalsContact O-N 3.15Å; R421-A423 PolarHBondContact O-N 2.89Å; A423-G425 VanDerWaalsContact C-N 3.32Å; A423-D428 WeakPolarHBondContact CA-OD2 3.31Å; A423-D428 WeakPolarHBondContact CB-OD2 3.49Å; A423-G542 WeakPolarHBondContact CB-O 3.44Å; A423-G542 WeakPolarHBondContact O-CA 3.39Å
424	F	70.4	Confident	69.9	Low	60 Å²	60	26.5 Å²	26.5	26%	0.263	14%	0.139	S	C	.	.			trans	-85.1	-8.1	160.6	-67.6	-72.3	0	0	0	112.2	L359 D363 Y366 C427 D428	L359-F424 HydrophobicContact CB-CE1 4.34Å; L359-F424 HydrophobicContact CD1-CD1 3.91Å; L359-F424 HydrophobicContact CD1-CD2 4.43Å; L359-F424 HydrophobicContact CD1-CE1 3.68Å; L359-F424 HydrophobicContact CD1-CE2 4.21Å; L359-F424 HydrophobicContact CD1-CG 4.28Å; L359-F424 HydrophobicContact CD1-CZ 3.84Å; L359-F424 HydrophobicContact CD2-CE1 4.46Å; L359-F424 HydrophobicContact CD2-CZ 4.38Å; L359-F424 HydrophobicContact CG-CE1 4.38Å; D363-F424 HydrophobicContact CB-CE1 4.21Å; D363-F424 WeakPolarHBondContact O-CE1 3.34Å; Y366-F424 AromaticContact CD1-CD2 3.86Å; Y366-F424 HydrophobicContact CD1-CD2 3.86Å; Y366-F424 AromaticContact CD1-CE2 3.58Å; Y366-F424 HydrophobicContact CD1-CE2 3.58Å; Y366-F424 HydrophobicContact CD2-CE2 4.17Å; Y366-F424 AromaticContact CE1-CD2 3.32Å; Y366-F424 HydrophobicContact CE1-CD2 3.32Å; Y366-F424 AromaticContact CE1-CE2 3.52Å; Y366-F424 HydrophobicContact CE1-CE2 3.52Å; Y366-F424 HydrophobicContact CE1-CG 4.46Å; Y366-F424 HydrophobicContact CE2-CD2 4.35Å; Y366-F424 HydrophobicContact CE2-CE2 4.11Å; Y366-F424 AromaticContact CG-CE2 3.92Å; Y366-F424 HydrophobicContact CG-CE2 3.92Å; Y366-F424 AromaticContact CZ-CD2 3.61Å; Y366-F424 AromaticContact CZ-CE2 3.79Å; F424-C427 HydrophobicContact CB-CB 4.17Å; F424-D428 PolarHBondContact N-OD1 2.93Å; F424-D428 PolarHBondContact N-OD2 3.28Å
425	G	68.3	Low	69.2	Low	4 Å²	4	31.2 Å²	31.2	4%	0.041	17%	0.168	C	C	.	.	S	Bend	trans	88	-120.7	178.2	0	0	0	0	0	110.9	A423 C427 D428 G542	A423-G425 VanDerWaalsContact C-N 3.32Å; G425-C427 PolarHBondContact O-N 2.89Å; G425-C427 VanDerWaalsContact O-N 3.14Å; G425-D428 PolarHBondContact N-OD2 2.65Å; G425-D428 WeakPolarHBondContact O-CB 3.46Å; G425-D428 PolarHBondContact O-N 2.85Å; G425-D428 VanDerWaalsContact O-N 3.08Å; G425-G542 WeakPolarHBondContact CA-O 2.96Å
426	I	62.1	Low	68.1	Low	25 Å²	25	36.2 Å²	36.2	13%	0.128	19%	0.188	C	C	.	.	H	α-helix	trans	-54.6	-38.3	-176.2	-59.3	166.9	0	0	0	112.1	D428 D429 W464 P545 Y579	I426-D428 PolarHBondContact O-N 2.95Å; I426-D429 PolarHBondContact O-N 2.93Å; I426-W464 HydrophobicContact CD1-CH2 3.74Å; I426-W464 HydrophobicContact CD1-CZ2 4.1Å; I426-P545 HydrophobicContact CD1-CG 3.24Å; I426-P545 VanDerWaalsContact CG1-CD 3.41Å; I426-P545 HydrophobicContact CG1-CG 3.67Å; I426-Y579 HydrophobicContact CG1-CD1 4.49Å; I426-Y579 HydrophobicContact CG2-CE1 4.37Å
427	C	59.4	Low	66.4	Low	42 Å²	42	36 Å²	36	28%	0.284	20%	0.197	S	C	.	.	H	α-helix	trans	-68.2	-16.3	-175.2	-63.7	0	0	0	0	113.7	F424 G425 D429 P431 C459	F424-C427 HydrophobicContact CB-CB 4.17Å; G425-C427 PolarHBondContact O-N 2.89Å; G425-C427 VanDerWaalsContact O-N 3.14Å; C427-D429 VanDerWaalsContact C-N 3.34Å; C427-P431 WeakPolarHBondContact O-CD 3.47Å; C427-C459 VanDerWaalsContact CA-SG 3.53Å; C427-C459 HydrophobicContact CB-CB 3.44Å; C427-C459 VanDerWaalsContact CB-CB 3.44Å; C427-C459 WeakPolarHBondContact CB-SG 3.33Å; C427-C459 WeakPolarHBondContact SG-CB 3.47Å; C427-C459 CovalentContact SG-SG 2.04Å; C427-C459 PolarHBondContact SG-SG 3.46Å
428	D	60.8	Low	64.7	Low	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-74.9	-26.9	178.3	-61.4	-38	0	0	0	112	Y366 A423 F424 G425 I426	Y366-D428 VanDerWaalsContact CE1-OD1 3.28Å; Y366-D428 WeakPolarHBondContact CE1-OD1 3.35Å; Y366-D428 VanDerWaalsContact CZ-OD1 3.27Å; Y366-D428 PolarHBondContact OH-OD1 2.91Å; A423-D428 WeakPolarHBondContact CA-OD2 3.31Å; A423-D428 WeakPolarHBondContact CB-OD2 3.49Å; F424-D428 PolarHBondContact N-OD1 2.93Å; F424-D428 PolarHBondContact N-OD2 3.28Å; G425-D428 PolarHBondContact N-OD2 2.65Å; G425-D428 WeakPolarHBondContact O-CB 3.46Å; G425-D428 PolarHBondContact O-N 2.85Å; G425-D428 VanDerWaalsContact O-N 3.08Å; I426-D428 PolarHBondContact O-N 2.95Å
429	D	56.6	Low	62.8	Low	26 Å²	26	37.7 Å²	37.7	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-89.5	-12.6	-177.1	-58.3	-44.8	0	0	0	113.1	F287 I426 C427 S433 Q544	F287-D429 HydrophobicContact CE1-CB 4.14Å; F287-D429 HydrophobicContact CZ-CB 4.24Å; F287-D429 WeakPolarHBondContact CZ-O 3.43Å; I426-D429 PolarHBondContact O-N 2.93Å; C427-D429 VanDerWaalsContact C-N 3.34Å; D429-S433 WeakPolarHBondContact O-CB 3.35Å; D429-S433 PolarHBondContact O-OG 2.69Å; D429-Q544 PolarHBondContact OD2-NE2 3.36Å
430	E	54.3	Low	61	Low	30 Å²	30	42.1 Å²	42.1	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-79.2	-41.6	-175.5	-69.2	-168	145.5	0	0	114.7	T432 S433 C434 S451 C459	E430-T432 PolarHBondContact O-N 2.78Å; E430-S433 PolarHBondContact O-N 3.49Å; E430-C434 PolarHBondContact O-N 2.7Å; E430-C434 PolarHBondContact O-SG 3Å; E430-S451 WeakPolarHBondContact OE1-CB 3.49Å; E430-S451 PolarHBondContact OE1-OG 2.96Å; E430-C459 PolarHBondContact OE2-SG 3.33Å
431	P	52.7	Low	59.1	Low	55 Å²	55	43.5 Å²	43.5	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-44.3	-171	-26.1	33.8	0	0	0	114	C427 T435	C427-P431 WeakPolarHBondContact O-CD 3.47Å; P431-T435 PolarHBondContact O-N 2.85Å; P431-T435 VanDerWaalsContact O-N 3.07Å; P431-T435 PolarHBondContact O-OG1 2.7Å
432	T	51.1	Low	57.2	Low	32 Å²	32	47.3 Å²	47.3	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-82	-24.8	-178.8	-25	0	0	0	0	112	T286 F287 E430 T435 K436	T286-T432 PolarHBondContact OG1-OG1 2.76Å; F287-T432 HydrophobicContact CE2-CG2 4.34Å; F287-T432 WeakPolarHBondContact CE2-OG1 3.01Å; E430-T432 PolarHBondContact O-N 2.78Å; T432-T435 PolarHBondContact O-N 3.31Å; T432-K436 HydrophobicContact CG2-CD 4.17Å; T432-K436 HydrophobicContact CG2-CG 4.22Å; T432-K436 WeakPolarHBondContact O-CB 3.33Å; T432-K436 PolarHBondContact O-N 3.19Å
433	S	51.7	Low	55.4	Low	8 Å²	8	51.4 Å²	51.4	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-42	169.5	-59.3	0	0	0	0	111.3	D429 E430 T435 G437 N444	D429-S433 WeakPolarHBondContact O-CB 3.35Å; D429-S433 PolarHBondContact O-OG 2.69Å; E430-S433 PolarHBondContact O-N 3.49Å; S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.02Å; S433-G437 CarbonylContact O-C 3.57Å; S433-G437 VanDerWaalsContact O-C 3.25Å; S433-G437 PolarHBondContact O-N 3.04Å; S433-N444 PolarHBondContact OG-ND2 2.82Å
434	C	52.1	Low	53.8	Low	54 Å²	54	52.9 Å²	52.9	37%	0.365	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-34.5	171.8	-62.7	0	0	0	0	111.7	E430 C452	E430-C434 PolarHBondContact O-N 2.7Å; E430-C434 PolarHBondContact O-SG 3Å; C434-C452 VanDerWaalsContact CA-SG 3.54Å; C434-C452 HydrophobicContact CB-CB 4.01Å; C434-C452 WeakPolarHBondContact CB-SG 3.48Å; C434-C452 WeakPolarHBondContact SG-CB 3.26Å; C434-C452 CovalentContact SG-SG 2.04Å; C434-C452 PolarHBondContact SG-SG 3.28Å
435	T	52.9	Low	52.6	Low	109 Å²	109	55.5 Å²	55.5	67%	0.669	29%	0.294	S	S	*	.	H	α-helix	trans	-78.3	-40.5	-177.3	-50.2	0	0	0	0	113.4	P431 T432 S433 G437	P431-T435 PolarHBondContact O-N 2.85Å; P431-T435 VanDerWaalsContact O-N 3.07Å; P431-T435 PolarHBondContact O-OG1 2.7Å; T432-T435 PolarHBondContact O-N 3.31Å; S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.02Å; T435-G437 VanDerWaalsContact C-N 3.35Å
436	K	54.7	Low	51.2	Low	115 Å²	115	61.3 Å²	61.3	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-89.1	-0.8	-177.9	-67.8	-175.6	177.2	177.1	0	113.7	T432 H440	T432-K436 HydrophobicContact CG2-CD 4.17Å; T432-K436 HydrophobicContact CG2-CG 4.22Å; T432-K436 WeakPolarHBondContact O-CB 3.33Å; T432-K436 PolarHBondContact O-N 3.19Å; K436-H440 HydrophobicContact CB-CB 3.89Å; K436-H440 WeakPolarHBondContact CD-CD2 3.36Å; K436-H440 WeakPolarHBondContact CD-NE2 3.46Å; K436-H440 PolarHBondContact NZ-NE2 3.48Å
437	G	47.4	Very low	50.3	Low	33 Å²	33	62.3 Å²	62.3	34%	0.34	33%	0.327	S	S	.	.			trans	86.9	142.5	-174.2	0	0	0	0	0	112.2	S433 T435 D439 H440	S433-G437 CarbonylContact O-C 3.57Å; S433-G437 VanDerWaalsContact O-C 3.25Å; S433-G437 PolarHBondContact O-N 3.04Å; T435-G437 VanDerWaalsContact C-N 3.35Å; G437-D439 PolarHBondContact O-N 3.47Å; G437-H440 VanDerWaalsContact O-CB 3.22Å; G437-H440 WeakPolarHBondContact O-CB 3.26Å; G437-H440 PolarHBondContact O-N 3.31Å
438	C	48.4	Very low	49.5	Very low	20 Å²	20	60.7 Å²	60.7	14%	0.135	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.1	-174.6	-62.2	0	0	0	0	115.3	R445 C448 Y449	C438-R445 VanDerWaalsContact O-CA 3.31Å; C438-R445 WeakPolarHBondContact O-CA 3.36Å; C438-R445 WeakPolarHBondContact O-CG 3.2Å; C438-R445 PolarHBondContact O-N 3Å; C438-C448 WeakPolarHBondContact CA-SG 3.49Å; C438-C448 HydrophobicContact CB-CB 3.38Å; C438-C448 WeakPolarHBondContact CB-SG 3.18Å; C438-C448 WeakPolarHBondContact SG-CB 3.42Å; C438-C448 PolarHBondContact SG-O 3.05Å; C438-C448 VanDerWaalsContact SG-O 3.37Å; C438-C448 CovalentContact SG-SG 2.04Å; C438-C448 PolarHBondContact SG-SG 3.48Å; C438-Y449 HydrophobicContact CB-CD2 4.04Å; C438-Y449 HydrophobicContact CB-CE2 3.83Å
439	D	48.8	Very low	48.6	Very low	86 Å²	86	68.7 Å²	68.7	46%	0.46	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4	176.5	-71	-35.5	0	0	0	114	G437 D441 R445	G437-D439 PolarHBondContact O-N 3.47Å; D439-D441 PolarHBondContact O-N 2.9Å; D439-R445 IonicContact OD1-CZ 2.73Å; D439-R445 IonicContact OD1-NE 3.37Å; D439-R445 PolarHBondContact OD1-NE 3.4Å; D439-R445 IonicContact OD1-NH2 3.09Å; D439-R445 PolarHBondContact OD1-NH2 2.63Å; D439-R445 IonicContact OD2-NH2 3.99Å
440	H	51.4	Low	47.7	Very low	115 Å²	115	72.6 Å²	72.6	53%	0.532	36%	0.363	S	S	.	.	S	Bend	trans	-66.1	-34.8	-175.6	-174.2	61.3	0	0	0	113.3	K436 G437	K436-H440 HydrophobicContact CB-CB 3.89Å; K436-H440 WeakPolarHBondContact CD-CD2 3.36Å; K436-H440 WeakPolarHBondContact CD-NE2 3.46Å; K436-H440 PolarHBondContact NZ-NE2 3.48Å; G437-H440 VanDerWaalsContact O-CB 3.22Å; G437-H440 WeakPolarHBondContact O-CB 3.26Å; G437-H440 PolarHBondContact O-N 3.31Å
441	D	47.1	Very low	47	Very low	32 Å²	32	72.2 Å²	72.2	17%	0.171	36%	0.364	C	S	.	.			trans	-129.6	129.4	173.6	-168.6	-26.4	0	0	0	109.9	D439 R443 N444 R445	D439-D441 PolarHBondContact O-N 2.9Å; D441-R443 PolarHBondContact O-N 2.93Å; D441-R443 VanDerWaalsContact O-N 3.15Å; D441-R443 WeakPolarHBondContact OD1-CB 3.19Å; D441-R443 WeakPolarHBondContact OD1-CG 3.34Å; D441-R443 PolarHBondContact OD1-N 2.71Å; D441-R443 IonicContact OD1-NE 2.69Å; D441-R443 PolarHBondContact OD1-NE 3.18Å; D441-R443 IonicContact OD2-CZ 3.35Å; D441-R443 VanDerWaalsContact OD2-CZ 3.23Å; D441-R443 IonicContact OD2-NE 2.76Å; D441-R443 PolarHBondContact OD2-NE 3.03Å; D441-R443 IonicContact OD2-NH2 2.89Å; D441-R443 PolarHBondContact OD2-NH2 2.91Å; D441-N444 HydrophobicContact CB-CB 4.48Å; D441-N444 PolarHBondContact O-N 2.83Å; D441-R445 PolarHBondContact O-N 3.08Å
442	I	46	Very low	46.6	Very low	131 Å²	131	71.7 Å²	71.7	67%	0.672	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	178	-144.5	159.9	0	0	0	112.3	N444	I442-N444 VanDerWaalsContact C-N 3.34Å
443	R	46.6	Very low	46.1	Very low	97 Å²	97	73.9 Å²	73.9	37%	0.366	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.4	174	-65.6	179.6	-75.5	-171.6	-0.6	112.5	D441	D441-R443 PolarHBondContact O-N 2.93Å; D441-R443 VanDerWaalsContact O-N 3.15Å; D441-R443 WeakPolarHBondContact OD1-CB 3.19Å; D441-R443 WeakPolarHBondContact OD1-CG 3.34Å; D441-R443 PolarHBondContact OD1-N 2.71Å; D441-R443 IonicContact OD1-NE 2.69Å; D441-R443 PolarHBondContact OD1-NE 3.18Å; D441-R443 IonicContact OD2-CZ 3.35Å; D441-R443 VanDerWaalsContact OD2-CZ 3.23Å; D441-R443 IonicContact OD2-NE 2.76Å; D441-R443 PolarHBondContact OD2-NE 3.03Å; D441-R443 IonicContact OD2-NH2 2.89Å; D441-R443 PolarHBondContact OD2-NH2 2.91Å
444	N	47.4	Very low	45.7	Very low	35 Å²	35	79.4 Å²	79.4	19%	0.187	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-12.1	-173.2	-67.1	-17.4	0	0	0	113.6	S433 D441 I442 L446 F447 C448	S433-N444 PolarHBondContact OG-ND2 2.82Å; D441-N444 HydrophobicContact CB-CB 4.48Å; D441-N444 PolarHBondContact O-N 2.83Å; I442-N444 VanDerWaalsContact C-N 3.34Å; N444-L446 VanDerWaalsContact C-N 3.27Å; N444-L446 PolarHBondContact O-N 3.37Å; N444-F447 PolarHBondContact O-N 2.86Å; N444-C448 VanDerWaalsContact O-CB 3.22Å; N444-C448 WeakPolarHBondContact O-CB 3.44Å; N444-C448 PolarHBondContact O-N 3.18Å
445	R	44.1	Very low	45.2	Very low	116 Å²	116	83.9 Å²	83.9	44%	0.438	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.3	177.5	-92.8	-176.9	156	159.6	0	115.2	C438 D439 D441 F447	C438-R445 VanDerWaalsContact O-CA 3.31Å; C438-R445 WeakPolarHBondContact O-CA 3.36Å; C438-R445 WeakPolarHBondContact O-CG 3.2Å; C438-R445 PolarHBondContact O-N 3Å; D439-R445 IonicContact OD1-CZ 2.73Å; D439-R445 IonicContact OD1-NE 3.37Å; D439-R445 PolarHBondContact OD1-NE 3.4Å; D439-R445 IonicContact OD1-NH2 3.09Å; D439-R445 PolarHBondContact OD1-NH2 2.63Å; D439-R445 IonicContact OD2-NH2 3.99Å; D441-R445 PolarHBondContact O-N 3.08Å; R445-F447 VanDerWaalsContact C-N 3.31Å; R445-F447 PolarHBondContact O-N 3.03Å
446	L	40.2	Very low	44.8	Very low	125 Å²	125	83.9 Å²	83.9	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.1	-174.4	-101.2	140.3	0	0	0	113.7	N444	N444-L446 VanDerWaalsContact C-N 3.27Å; N444-L446 PolarHBondContact O-N 3.37Å
447	F	42.4	Very low	44.3	Very low	46 Å²	46	87.9 Å²	87.9	20%	0.202	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-18.5	-171.4	-72.4	-78.7	0	0	0	115.7	N444 R445 Y449 K450 S451 Y579	N444-F447 PolarHBondContact O-N 2.86Å; R445-F447 VanDerWaalsContact C-N 3.31Å; R445-F447 PolarHBondContact O-N 3.03Å; F447-Y449 PolarHBondContact O-N 3.21Å; F447-Y449 VanDerWaalsContact O-N 3.11Å; F447-K450 PolarHBondContact O-N 3.45Å; F447-S451 PolarHBondContact O-N 3.41Å; F447-S451 PolarHBondContact O-OG 2.89Å; F447-Y579 HydrophobicContact CD2-CE2 4.36Å; F447-Y579 WeakPolarHBondContact CD2-OH 3.17Å; F447-Y579 HydrophobicContact CE2-CE2 4.29Å; F447-Y579 WeakPolarHBondContact CG-OH 3.38Å
448	C	42.4	Very low	44	Very low	8 Å²	8	93.9 Å²	93.9	5%	0.054	46%	0.459	C	S	.	.	H	α-helix	trans	-59.2	-26	176.6	174.3	0	0	0	0	112.6	C438 N444 K450 C452	C438-C448 WeakPolarHBondContact CA-SG 3.49Å; C438-C448 HydrophobicContact CB-CB 3.38Å; C438-C448 WeakPolarHBondContact CB-SG 3.18Å; C438-C448 WeakPolarHBondContact SG-CB 3.42Å; C438-C448 PolarHBondContact SG-O 3.05Å; C438-C448 VanDerWaalsContact SG-O 3.37Å; C438-C448 CovalentContact SG-SG 2.04Å; C438-C448 PolarHBondContact SG-SG 3.48Å; N444-C448 VanDerWaalsContact O-CB 3.22Å; N444-C448 WeakPolarHBondContact O-CB 3.44Å; N444-C448 PolarHBondContact O-N 3.18Å; C448-K450 PolarHBondContact O-N 3.33Å; C448-C452 PolarHBondContact O-SG 3.04Å; C448-C452 VanDerWaalsContact SG-SG 3.66Å
449	Y	41.3	Very low	43.9	Very low	170 Å²	170	95.2 Å²	95.2	67%	0.667	47%	0.468	S	S	*	.	H	α-helix	trans	-68.9	-12.2	173.6	-78	-77.8	0	0	0	115.1	C438 F447	C438-Y449 HydrophobicContact CB-CD2 4.04Å; C438-Y449 HydrophobicContact CB-CE2 3.83Å; F447-Y449 PolarHBondContact O-N 3.21Å; F447-Y449 VanDerWaalsContact O-N 3.11Å
450	K	38.9	Very low	43.6	Very low	108 Å²	108	98.2 Å²	98.2	47%	0.47	48%	0.477	S	S	.	.	H	α-helix	trans	-111.4	-31.1	-177.7	-73.9	-173.2	179.8	-178.9	0	114.6	F447 C448 D465	F447-K450 PolarHBondContact O-N 3.45Å; C448-K450 PolarHBondContact O-N 3.33Å; K450-D465 IonicContact NZ-OD1 2.65Å; K450-D465 PolarHBondContact NZ-OD1 3.28Å; K450-D465 IonicContact NZ-OD2 2.68Å
451	S	39.1	Very low	43.3	Very low	21 Å²	21	97.9 Å²	97.9	15%	0.147	49%	0.488	C	S	.	.	H	α-helix	trans	-101.4	1.8	-174	51.7	0	0	0	0	115.6	E430 F447 P453	E430-S451 WeakPolarHBondContact OE1-CB 3.49Å; E430-S451 PolarHBondContact OE1-OG 2.96Å; F447-S451 PolarHBondContact O-N 3.41Å; F447-S451 PolarHBondContact O-OG 2.89Å; S451-P453 WeakPolarHBondContact O-CD 3.13Å
452	C	44.3	Very low	43.3	Very low	45 Å²	45	97.8 Å²	97.8	30%	0.304	49%	0.49	S	S	.	.			trans	-96.7	70.7	169	-52	0	0	0	0	110.7	C434 C448 V454	C434-C452 VanDerWaalsContact CA-SG 3.54Å; C434-C452 HydrophobicContact CB-CB 4.01Å; C434-C452 WeakPolarHBondContact CB-SG 3.48Å; C434-C452 WeakPolarHBondContact SG-CB 3.26Å; C434-C452 CovalentContact SG-SG 2.04Å; C434-C452 PolarHBondContact SG-SG 3.28Å; C448-C452 PolarHBondContact O-SG 3.04Å; C448-C452 VanDerWaalsContact SG-SG 3.66Å; C452-V454 PolarHBondContact O-N 3.09Å
453	P	40.8	Very low	43.2	Very low	77 Å²	77	98.1 Å²	98.1	50%	0.5	49%	0.488	S	S	.	.			trans	-67.9	135.1	165	31.4	-30	0	0	0	108.1	S451	S451-P453 WeakPolarHBondContact O-CD 3.13Å
454	V	42.8	Very low	43.6	Very low	125 Å²	125	97.6 Å²	97.6	76%	0.758	49%	0.486	S	S	*	.	S	Bend	trans	-48.1	133.8	177.8	-171.3	0	0	0	0	110	C452	C452-V454 PolarHBondContact O-N 3.09Å
455	D	41.3	Very low	43.9	Very low	147 Å²	147	99 Å²	99	79%	0.786	49%	0.494	S	S	*	.	S	Bend	trans	93.7	-35.9	165.9	-56.1	-29.6	0	0	0	122.7
456	D	45.6	Very low	45	Very low	109 Å²	109	97.5 Å²	97.5	58%	0.583	50%	0.501	S	S	*	.			trans	-98	-8.5	-166.3	-82.4	-17.2	0	0	0	118	K458	D456-K458 WeakPolarHBondContact O-CG 3.3Å; D456-K458 PolarHBondContact O-N 3.44Å
457	K	43.5	Very low	47	Very low	200 Å²	200	92.2 Å²	92.2	87%	0.87	47%	0.474	S	S	*	.			trans	47.7	21.7	-175	-62.9	-174	-179.5	-179.5	0	115.3
458	K	41.5	Very low	49	Very low	159 Å²	159	94.2 Å²	94.2	69%	0.691	49%	0.49	S	S	*	.			trans	-105.6	129.1	178.9	-73.7	174.9	-175.4	176.9	0	109.8	D456 K460	D456-K458 WeakPolarHBondContact O-CG 3.3Å; D456-K458 PolarHBondContact O-N 3.44Å; K458-K460 VanDerWaalsContact C-N 3.32Å; K458-K460 PolarHBondContact O-N 2.49Å
459	C	46.3	Very low	51	Low	47 Å²	47	93.9 Å²	93.9	32%	0.318	49%	0.488	S	S	.	.			trans	-62.7	90.1	170.3	-174	0	0	0	0	108.9	C427 E430	C427-C459 VanDerWaalsContact CA-SG 3.53Å; C427-C459 HydrophobicContact CB-CB 3.44Å; C427-C459 VanDerWaalsContact CB-CB 3.44Å; C427-C459 WeakPolarHBondContact CB-SG 3.33Å; C427-C459 WeakPolarHBondContact SG-CB 3.47Å; C427-C459 CovalentContact SG-SG 2.04Å; C427-C459 PolarHBondContact SG-SG 3.46Å; E430-C459 PolarHBondContact OE2-SG 3.33Å
460	K	43.3	Very low	52.8	Low	150 Å²	150	87.2 Å²	87.2	65%	0.652	46%	0.463	S	S	*	.			trans	-73.3	128.1	166.4	-85.4	-177.1	178.9	169.9	0	106.4	K458 S462	K458-K460 VanDerWaalsContact C-N 3.32Å; K458-K460 PolarHBondContact O-N 2.49Å; K460-S462 PolarHBondContact O-N 2.75Å
461	S	44.6	Very low	54.7	Low	108 Å²	108	89.9 Å²	89.9	76%	0.755	48%	0.477	S	S	*	.			trans	-28.5	121.5	-175.7	51.8	0	0	0	0	112.1	Q463	S461-Q463 PolarHBondContact O-N 2.7Å
462	S	46	Very low	56.5	Low	30 Å²	30	90 Å²	90	21%	0.21	48%	0.476	C	S	.	.			trans	-38.6	116.7	-175.4	35.2	0	0	0	0	110.5	K460 W464	K460-S462 PolarHBondContact O-N 2.75Å; S462-W464 PolarHBondContact O-N 3.35Å; S462-W464 PolarHBondContact O-NE1 2.84Å; S462-W464 WeakPolarHBondContact OG-CZ2 3.44Å; S462-W464 PolarHBondContact OG-NE1 3.27Å
463	Q	44.8	Very low	58.3	Low	138 Å²	138	88 Å²	88	65%	0.645	46%	0.462	S	S	*	.			trans	-71.5	90	169.1	-78.1	-171.4	-9.5	0	0	107	S461	S461-Q463 PolarHBondContact O-N 2.7Å
464	W	54.7	Low	60.4	Low	85 Å²	85	86.7 Å²	86.7	32%	0.322	45%	0.449	S	S	.	.			trans	-63.2	131.6	173.6	-53.2	90.9	0	0	0	108.8	I426 S462 S466 I521 R535 P545	I426-W464 HydrophobicContact CD1-CH2 3.74Å; I426-W464 HydrophobicContact CD1-CZ2 4.1Å; S462-W464 PolarHBondContact O-N 3.35Å; S462-W464 PolarHBondContact O-NE1 2.84Å; S462-W464 WeakPolarHBondContact OG-CZ2 3.44Å; S462-W464 PolarHBondContact OG-NE1 3.27Å; W464-S466 PolarHBondContact O-N 2.97Å; W464-S466 VanDerWaalsContact O-N 3.11Å; W464-I521 HydrophobicContact CD2-CD1 4.17Å; W464-I521 HydrophobicContact CE3-CD1 3.46Å; W464-I521 VanDerWaalsContact CE3-CD1 3.46Å; W464-I521 HydrophobicContact CE3-CG1 4.36Å; W464-I521 HydrophobicContact CZ3-CD1 4Å; W464-R535 HydrophobicContact CH2-CG 4.43Å; W464-R535 HydrophobicContact CZ3-CG 4.4Å; W464-P545 HydrophobicContact CH2-CG 4.19Å
465	D	54.2	Low	62.5	Low	65 Å²	65	82.4 Å²	82.4	35%	0.348	43%	0.43	S	S	.	.			trans	-57.9	120.4	148.3	-71.7	-26.3	0	0	0	105	K450 I521	K450-D465 IonicContact NZ-OD1 2.65Å; K450-D465 PolarHBondContact NZ-OD1 3.28Å; K450-D465 IonicContact NZ-OD2 2.68Å; D465-I521 CarbonylContact C-O 3.54Å; D465-I521 CarbonylContact O-C 3.51Å; D465-I521 VanDerWaalsContact O-CA 3.28Å; D465-I521 WeakPolarHBondContact O-CA 3.36Å
466	S	66.4	Low	64.7	Low	85 Å²	85	78.7 Å²	78.7	59%	0.594	41%	0.408	S	S	*	.			trans	-105.3	124.9	176	64.2	0	0	0	0	107.2	W464 C520	W464-S466 PolarHBondContact O-N 2.97Å; W464-S466 VanDerWaalsContact O-N 3.11Å; S466-C520 WeakPolarHBondContact CA-O 3.36Å
467	C	82.6	Confident	66.6	Low	13 Å²	13	73.5 Å²	73.5	9%	0.088	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-91.4	152.9	167.2	50.9	0	0	0	0	110.1	N506 C520 I521 R522	C467-N506 WeakPolarHBondContact O-CB 3.29Å; C467-C520 HydrophobicContact CB-CB 4.22Å; C467-C520 WeakPolarHBondContact CB-SG 3.49Å; C467-C520 PolarHBondContact N-O 2.84Å; C467-C520 VanDerWaalsContact O-CB 3.26Å; C467-C520 WeakPolarHBondContact O-CB 3.48Å; C467-C520 PolarHBondContact O-SG 3.02Å; C467-C520 WeakPolarHBondContact SG-CA 3.39Å; C467-C520 WeakPolarHBondContact SG-CB 3.35Å; C467-C520 CovalentContact SG-SG 2.02Å; C467-C520 PolarHBondContact SG-SG 3.03Å; C467-I521 PolarHBondContact N-O 2.84Å; C467-I521 PolarHBondContact SG-N 3.48Å; C467-R522 VanDerWaalsContact SG-CA 3.57Å; C467-R522 PolarHBondContact SG-N 2.92Å
468	T	84.4	Confident	68.6	Low	88 Å²	88	65.4 Å²	65.4	54%	0.54	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-102	128.4	167.9	47.8	0	0	0	0	109.3	K470 E505	T468-K470 PolarHBondContact O-N 3.13Å; T468-E505 CarbonylContact C-O 3.5Å; T468-E505 WeakPolarHBondContact CA-O 2.97Å
469	F	84.6	Confident	70.5	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.1	133.9	164.1	-66	-65.4	0	0	0	108.4	Q474 F503 G504 E505 L508 C520 F532 I534 L550	F469-Q474 PolarHBondContact O-NE2 2.87Å; F469-F503 HydrophobicContact CD1-CD1 4.08Å; F469-F503 HydrophobicContact CD1-CE1 4.35Å; F469-F503 HydrophobicContact CD2-CD1 4.12Å; F469-F503 HydrophobicContact CE1-CD1 4.2Å; F469-F503 HydrophobicContact CE1-CE1 4.14Å; F469-F503 HydrophobicContact CE2-CD1 4.22Å; F469-F503 HydrophobicContact CG-CD1 4.04Å; F469-F503 HydrophobicContact CZ-CD1 4.25Å; F469-F503 HydrophobicContact CZ-CE1 4.32Å; F469-G504 WeakPolarHBondContact CD2-O 3.34Å; F469-E505 PolarHBondContact N-O 2.84Å; F469-L508 HydrophobicContact CE2-CB 4.21Å; F469-L508 HydrophobicContact CZ-CB 4.3Å; F469-C520 HydrophobicContact CD2-CB 4.2Å; F469-C520 HydrophobicContact CE1-CB 4.36Å; F469-C520 HydrophobicContact CE2-CB 3.68Å; F469-C520 HydrophobicContact CZ-CB 3.77Å; F469-F532 AromaticContact CD1-CD1 4Å; F469-F532 HydrophobicContact CD1-CD1 4Å; F469-F532 HydrophobicContact CD1-CD2 4.39Å; F469-F532 HydrophobicContact CD1-CE1 4.05Å; F469-F532 HydrophobicContact CD1-CE2 4.44Å; F469-F532 HydrophobicContact CD1-CG 4.17Å; F469-F532 HydrophobicContact CD1-CZ 4.28Å; F469-F532 HydrophobicContact CE1-CB 4.11Å; F469-F532 AromaticContact CE1-CD1 3.98Å; F469-F532 HydrophobicContact CE1-CD1 3.98Å; F469-F532 HydrophobicContact CE1-CD2 4.24Å; F469-F532 HydrophobicContact CE1-CE1 4.48Å; F469-F532 AromaticContact CE1-CG 3.84Å; F469-F532 HydrophobicContact CE1-CG 3.84Å; F469-I534 HydrophobicContact CE1-CG2 4.34Å; F469-I534 HydrophobicContact CZ-CG2 3.79Å; F469-L550 HydrophobicContact CE1-CD2 3.92Å; F469-L550 HydrophobicContact CZ-CD2 4.33Å
470	K	80.1	Confident	71.9	Confident	30 Å²	30	58.7 Å²	58.7	13%	0.13	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-58.8	147.2	177.3	-63.6	166.9	-179.7	160.2	0	110.2	T468 N472 Y473 Q474 E523 D530 L561	T468-K470 PolarHBondContact O-N 3.13Å; K470-N472 WeakPolarHBondContact CB-OD1 2.95Å; K470-N472 PolarHBondContact O-N 2.74Å; K470-N472 VanDerWaalsContact O-N 3.15Å; K470-Y473 HydrophobicContact CB-CD2 3.88Å; K470-Y473 HydrophobicContact CB-CE2 4.03Å; K470-Y473 HydrophobicContact CD-CE2 3.91Å; K470-Y473 HydrophobicContact CG-CE2 4.34Å; K470-Y473 WeakPolarHBondContact O-CB 3.43Å; K470-Y473 PolarHBondContact O-N 3.12Å; K470-Q474 PolarHBondContact O-N 3.28Å; K470-E523 VanDerWaalsContact CE-OE1 3.3Å; K470-E523 WeakPolarHBondContact CE-OE1 3.13Å; K470-E523 IonicContact NZ-OE1 3.15Å; K470-E523 PolarHBondContact NZ-OE1 3.24Å; K470-D530 IonicContact NZ-OD1 2.84Å; K470-D530 PolarHBondContact NZ-OD1 3.32Å; K470-L561 HydrophobicContact CD-CD2 3.6Å; K470-L561 VanDerWaalsContact CE-CD2 3.49Å
471	Q	78.8	Confident	73	Confident	164 Å²	164	55.1 Å²	55.1	77%	0.766	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.3	-170.9	-159.8	164	7.2	0	0	113.5	Y473 Q474	Q471-Y473 PolarHBondContact O-N 2.91Å; Q471-Q474 PolarHBondContact O-N 2.89Å
472	N	75.4	Confident	73.5	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.123	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	173.6	61.6	-38.2	0	0	0	114.4	K470 Q554 R564 R611	K470-N472 WeakPolarHBondContact CB-OD1 2.95Å; K470-N472 PolarHBondContact O-N 2.74Å; K470-N472 VanDerWaalsContact O-N 3.15Å; N472-Q554 PolarHBondContact ND2-OE1 2.99Å; N472-Q554 PolarHBondContact O-NE2 3Å; N472-Q554 VanDerWaalsContact O-NE2 3.1Å; N472-R564 WeakPolarHBondContact CB-O 3.4Å; N472-R611 PolarHBondContact O-NH2 2.82Å
473	Y	82.2	Confident	73.5	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.016	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.6	175	-57.1	-43.3	0	0	0	112.9	K470 Q471 W477 F503 D530 F532 L552 Q554 M569	K470-Y473 HydrophobicContact CB-CD2 3.88Å; K470-Y473 HydrophobicContact CB-CE2 4.03Å; K470-Y473 HydrophobicContact CD-CE2 3.91Å; K470-Y473 HydrophobicContact CG-CE2 4.34Å; K470-Y473 WeakPolarHBondContact O-CB 3.43Å; K470-Y473 PolarHBondContact O-N 3.12Å; Q471-Y473 PolarHBondContact O-N 2.91Å; Y473-W477 PolarHBondContact O-NE1 3.41Å; Y473-F503 VanDerWaalsContact O-CB 3.23Å; Y473-F503 WeakPolarHBondContact O-CB 3.44Å; Y473-D530 PolarHBondContact OH-OD1 2.9Å; Y473-D530 VanDerWaalsContact OH-OD1 3.05Å; Y473-D530 PolarHBondContact OH-OD2 3.33Å; Y473-F532 HydrophobicContact CD2-CE2 4.45Å; Y473-F532 HydrophobicContact CD2-CZ 4.38Å; Y473-F532 HydrophobicContact CE2-CE2 4.07Å; Y473-F532 HydrophobicContact CE2-CZ 4.09Å; Y473-L552 HydrophobicContact CD1-CD1 4.08Å; Y473-L552 HydrophobicContact CD2-CD1 3.67Å; Y473-L552 HydrophobicContact CE1-CB 4.25Å; Y473-L552 HydrophobicContact CE1-CD1 4.32Å; Y473-L552 HydrophobicContact CE2-CB 4.49Å; Y473-L552 HydrophobicContact CE2-CD1 3.92Å; Y473-L552 HydrophobicContact CG-CD1 3.77Å; Y473-Q554 HydrophobicContact CD1-CG 4.38Å; Y473-Q554 HydrophobicContact CE1-CG 3.85Å; Y473-M569 HydrophobicContact CD1-SD 3.5Å; Y473-M569 VanDerWaalsContact CD1-SD 3.5Å; Y473-M569 HydrophobicContact CE1-SD 3.85Å; Y473-M569 HydrophobicContact CG-SD 4.41Å
474	Q	85.6	Confident	73.3	Confident	50 Å²	50	51.6 Å²	51.6	23%	0.234	29%	0.286	C	S	.	.			trans	-64.7	151.7	-175.2	-60.9	178.6	12	0	0	111.6	F469 K470 Q471 F503 R611	F469-Q474 PolarHBondContact O-NE2 2.87Å; K470-Q474 PolarHBondContact O-N 3.28Å; Q471-Q474 PolarHBondContact O-N 2.89Å; Q474-F503 CarbonylContact C-O 3.57Å; Q474-F503 VanDerWaalsContact CA-O 3.29Å; Q474-F503 WeakPolarHBondContact CA-O 3.05Å; Q474-R611 PolarHBondContact O-NH2 3.45Å
475	G	85.6	Confident	72.5	Confident	35 Å²	35	53 Å²	53	36%	0.361	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.6	-167.2	-178.8	0	0	0	0	0	114.3	I502 F503	G475-I502 WeakPolarHBondContact O-CA 3.31Å; G475-F503 PolarHBondContact N-O 3.31Å; G475-F503 PolarHBondContact O-N 2.92Å
476	H	87.7	Confident	71.7	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.315	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131	-172.9	-172.4	-133.8	0	0	0	112.1	N478 S500	H476-N478 PolarHBondContact CE1-OD1 3.3Å; H476-S500 WeakPolarHBondContact NE2-CB 3.19Å; H476-S500 PolarHBondContact NE2-OG 3.19Å
477	W	86.8	Confident	70.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.9	-174.6	-67.4	90.4	0	0	0	110.8	Y473 S500 L501 F503 T566 M569 L609 R611	Y473-W477 PolarHBondContact O-NE1 3.41Å; W477-S500 CarbonylContact O-C 3.48Å; W477-S500 WeakPolarHBondContact O-CA 3.19Å; W477-S500 WeakPolarHBondContact O-CB 3.36Å; W477-L501 PolarHBondContact N-O 2.83Å; W477-L501 PolarHBondContact O-N 2.85Å; W477-F503 AromaticContact CD1-CD2 3.64Å; W477-T566 WeakPolarHBondContact CH2-O 3.42Å; W477-M569 HydrophobicContact CD2-CE 4.2Å; W477-M569 HydrophobicContact CE3-CB 4.38Å; W477-M569 HydrophobicContact CH2-CB 4.12Å; W477-M569 HydrophobicContact CZ2-CE 4.49Å; W477-M569 HydrophobicContact CZ3-CB 3.91Å; W477-L609 HydrophobicContact CB-CB 4.1Å; W477-L609 HydrophobicContact CB-CD1 4.21Å; W477-L609 HydrophobicContact CE3-CB 4.03Å; W477-R611 HydrophobicContact CE3-CB 4.1Å; W477-R611 HydrophobicContact CH2-CB 4.35Å; W477-R611 HydrophobicContact CZ3-CB 3.94Å
478	N	84.1	Confident	67.6	Low	31 Å²	31	70.2 Å²	70.2	17%	0.166	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.2	-178.2	-66.3	-38.7	0	0	0	111.6	H476 I480 S500 L609 V610 N612	H476-N478 PolarHBondContact CE1-OD1 3.3Å; N478-I480 HydrophobicContact CB-CG1 4.4Å; N478-S500 WeakPolarHBondContact OD1-CB 3.34Å; N478-L609 WeakPolarHBondContact O-CA 3.41Å; N478-V610 PolarHBondContact N-O 2.71Å; N478-V610 PolarHBondContact O-N 2.84Å; N478-N612 WeakPolarHBondContact ND2-CB 3.16Å; N478-N612 PolarHBondContact ND2-OD1 3.07Å; N478-N612 VanDerWaalsContact ND2-OD1 3.13Å
479	L	82	Confident	64.9	Low	19 Å²	19	74.9 Å²	74.9	10%	0.099	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.2	167	-174.8	82.5	0	0	0	109	E481 W498 A499 F571 L607 L609	L479-E481 HydrophobicContact CD2-CG 3.99Å; L479-E481 HydrophobicContact CG-CG 4.34Å; L479-W498 HydrophobicContact CB-CE3 4.34Å; L479-W498 HydrophobicContact CB-CZ3 4.39Å; L479-W498 HydrophobicContact CD1-CZ3 3.88Å; L479-W498 HydrophobicContact CD2-CD2 4.32Å; L479-W498 HydrophobicContact CD2-CE3 3.56Å; L479-W498 HydrophobicContact CD2-CH2 4.06Å; L479-W498 HydrophobicContact CD2-CZ3 3.4Å; L479-W498 HydrophobicContact CG-CE3 4.36Å; L479-W498 HydrophobicContact CG-CZ3 4.05Å; L479-A499 PolarHBondContact N-O 3.32Å; L479-F571 HydrophobicContact CD1-CE1 4.37Å; L479-L607 HydrophobicContact CD1-CB 4.16Å; L479-L607 HydrophobicContact CD1-CD1 4.31Å; L479-L609 HydrophobicContact CB-CD2 4.05Å; L479-L609 HydrophobicContact CD1-CD2 4.03Å
480	I	75.1	Confident	62	Low	45 Å²	45	79 Å²	79	23%	0.231	41%	0.412	C	S	.	.			trans	-109.6	105.4	-178.7	-53.2	-179.8	0	0	0	108.6	N478 V610 Y808 T831 P832 Q833	N478-I480 HydrophobicContact CB-CG1 4.4Å; I480-V610 HydrophobicContact CD1-CB 4.09Å; I480-V610 HydrophobicContact CD1-CG2 4.06Å; I480-Y808 HydrophobicContact CD1-CD2 3.45Å; I480-Y808 VanDerWaalsContact CD1-CD2 3.45Å; I480-Y808 HydrophobicContact CD1-CE1 4.37Å; I480-Y808 HydrophobicContact CD1-CE2 3.24Å; I480-Y808 HydrophobicContact CD1-CG 4.11Å; I480-Y808 HydrophobicContact CG2-CD2 4.39Å; I480-T831 PolarHBondContact O-OG1 2.8Å; I480-P832 HydrophobicContact CB-CG 3.72Å; I480-P832 HydrophobicContact CD1-CG 4.48Å; I480-P832 HydrophobicContact CG2-CG 4.12Å; I480-Q833 VanDerWaalsContact O-CG 3.29Å; I480-Q833 WeakPolarHBondContact O-CG 3.25Å; I480-Q833 PolarHBondContact O-NE2 2.75Å; I480-Q833 VanDerWaalsContact O-NE2 3.09Å
481	E	66.8	Low	59.5	Low	76 Å²	76	82.3 Å²	82.3	36%	0.355	44%	0.44	S	S	.	.			trans	-104.8	144.4	174.6	-71	-178.6	169.6	0	0	111.3	L479	L479-E481 HydrophobicContact CD2-CG 3.99Å; L479-E481 HydrophobicContact CG-CG 4.34Å
482	S	55.6	Low	56.9	Low	36 Å²	36	83.7 Å²	83.7	25%	0.252	45%	0.446	S	S	.	.			trans	-66.6	144.2	174.8	-179.6	0	0	0	0	112.3	S484	S482-S484 VanDerWaalsContact C-N 3.3Å; S482-S484 PolarHBondContact OG-N 2.94Å; S482-S484 PolarHBondContact OG-OG 3.05Å; S482-S484 VanDerWaalsContact OG-OG 3.08Å
483	T	46.4	Very low	54.6	Low	107 Å²	107	86 Å²	86	66%	0.656	46%	0.464	S	S	*	.	S	Bend	trans	-81.4	-2.6	175.1	40	0	0	0	0	113.8	N485	T483-N485 PolarHBondContact O-N 2.76Å
484	S	39.4	Very low	52.2	Low	59 Å²	59	92 Å²	92	41%	0.413	49%	0.492	S	S	.	.			trans	-70.6	-15.9	-161.5	59.3	0	0	0	0	117.2	S482 K486	S482-S484 VanDerWaalsContact C-N 3.3Å; S482-S484 PolarHBondContact OG-N 2.94Å; S482-S484 PolarHBondContact OG-OG 3.05Å; S482-S484 VanDerWaalsContact OG-OG 3.08Å; S484-K486 VanDerWaalsContact C-N 3.34Å; S484-K486 PolarHBondContact O-N 3.37Å; S484-K486 VanDerWaalsContact O-N 3.11Å
485	N	39.2	Very low	49.9	Very low	113 Å²	113	96.1 Å²	96.1	60%	0.604	51%	0.509	S	S	*	.			trans	-89.3	57.8	178.3	-82.7	-18.8	0	0	0	113.7	T483	T483-N485 PolarHBondContact O-N 2.76Å
486	K	37	Very low	47.9	Very low	168 Å²	168	95.4 Å²	95.4	73%	0.73	50%	0.499	S	S	*	.			trans	-99.2	2.6	172.6	-84.5	-166.9	176.8	-174.4	0	115.1	S484	S484-K486 VanDerWaalsContact C-N 3.34Å; S484-K486 PolarHBondContact O-N 3.37Å; S484-K486 VanDerWaalsContact O-N 3.11Å
487	N	32.2	Very low	46.2	Very low	157 Å²	157	96.8 Å²	96.8	84%	0.84	50%	0.504	S	S	*	.			trans	-89.5	6.6	-178.4	-75.6	-0.1	0	0	0	115.5
488	Y	31.6	Very low	44.8	Very low	200 Å²	200	97.2 Å²	97.2	78%	0.784	51%	0.505	S	S	*	.	S	Bend	trans	-91	128.2	159	-83.2	-89.6	0	0	0	108	S490	Y488-S490 PolarHBondContact O-N 2.84Å
489	L	26.6	Very low	43.8	Very low	186 Å²	186	98.6 Å²	98.6	97%	0.974	52%	0.521	S	S	*	.			trans	-59.9	75.9	156.9	-84.8	96.4	0	0	0	107.4
490	S	24.1	Very low	43.8	Very low	87 Å²	87	98.2 Å²	98.2	61%	0.608	52%	0.52	S	S	*	.			trans	-92.1	109.3	172.3	66.2	0	0	0	0	106.6	Y488 E492	Y488-S490 PolarHBondContact O-N 2.84Å; S490-E492 PolarHBondContact O-N 2.02Å
491	S	26.7	Very low	44.3	Very low	101 Å²	101	96.1 Å²	96.1	71%	0.706	51%	0.509	S	S	*	.			trans	-16.3	124.1	154.4	55.2	0	0	0	0	112.8	S493	S491-S493 PolarHBondContact O-N 2.91Å
492	E	25.8	Very low	45.3	Very low	192 Å²	192	94.7 Å²	94.7	90%	0.897	50%	0.503	S	S	*	.	S	Bend	trans	-41.9	110.1	159	-70.5	166.1	141.1	0	0	109.3	S490	S490-E492 PolarHBondContact O-N 2.02Å
493	S	25.8	Very low	46.9	Very low	72 Å²	72	93.1 Å²	93.1	50%	0.503	49%	0.492	S	S	.	.			trans	159.1	135.4	142.9	54.1	0	0	0	0	111.3	S491 K599	S491-S493 PolarHBondContact O-N 2.91Å; S493-K599 PolarHBondContact O-NZ 3.06Å
494	H	33	Very low	48.8	Very low	130 Å²	130	88.3 Å²	88.3	60%	0.602	46%	0.464	S	S	*	.			trans	84	41.6	160.8	-42.5	-64.1	0	0	0	118.3	S496 K599	H494-S496 VanDerWaalsContact C-N 3.29Å; H494-S496 PolarHBondContact O-N 2.94Å; H494-S496 VanDerWaalsContact O-N 3.14Å; H494-K599 VanDerWaalsContact C-NZ 3.33Å; H494-K599 HydrophobicContact CB-CD 4.26Å; H494-K599 VanDerWaalsContact CB-NZ 3.29Å; H494-K599 WeakPolarHBondContact O-CD 3.33Å; H494-K599 WeakPolarHBondContact O-CE 3.11Å; H494-K599 PolarHBondContact O-NZ 3.33Å
495	K	37.5	Very low	51.1	Low	137 Å²	137	91.6 Å²	91.6	60%	0.596	47%	0.473	S	S	*	.			trans	-78.6	84.5	152.8	-86.5	-176.4	179.3	175.1	0	108.5	K497	K495-K497 HydrophobicContact CB-CG 4.31Å; K495-K497 PolarHBondContact O-N 2.94Å
496	S	42.3	Very low	53.5	Low	20 Å²	20	88.9 Å²	88.9	14%	0.14	46%	0.458	C	S	.	.			trans	-69.9	77.8	166.3	65.5	0	0	0	0	109	H494 W498	H494-S496 VanDerWaalsContact C-N 3.29Å; H494-S496 PolarHBondContact O-N 2.94Å; H494-S496 VanDerWaalsContact O-N 3.14Å; S496-W498 PolarHBondContact O-N 3.15Å
497	K	52.4	Low	56	Low	96 Å²	96	84.7 Å²	84.7	42%	0.417	44%	0.439	S	S	.	.			trans	-85.6	90.3	179	-88.4	-176	164.9	-164.3	0	108.8	K495 A499	K495-K497 HydrophobicContact CB-CG 4.31Å; K495-K497 PolarHBondContact O-N 2.94Å; K497-A499 PolarHBondContact O-N 2.67Å
498	W	56.3	Low	58.7	Low	10 Å²	10	77.2 Å²	77.2	4%	0.038	40%	0.399	C	S	.	.			trans	-59.6	124.8	158.6	27.2	-81.1	0	0	0	107.7	L479 S496 L501 M511 F571 K601 L607	L479-W498 HydrophobicContact CB-CE3 4.34Å; L479-W498 HydrophobicContact CB-CZ3 4.39Å; L479-W498 HydrophobicContact CD1-CZ3 3.88Å; L479-W498 HydrophobicContact CD2-CD2 4.32Å; L479-W498 HydrophobicContact CD2-CE3 3.56Å; L479-W498 HydrophobicContact CD2-CH2 4.06Å; L479-W498 HydrophobicContact CD2-CZ3 3.4Å; L479-W498 HydrophobicContact CG-CE3 4.36Å; L479-W498 HydrophobicContact CG-CZ3 4.05Å; S496-W498 PolarHBondContact O-N 3.15Å; W498-L501 HydrophobicContact CE3-CD1 4.34Å; W498-M511 CarbonylContact C-O 3.48Å; W498-M511 VanDerWaalsContact CA-O 3.23Å; W498-M511 WeakPolarHBondContact CA-O 2.98Å; W498-M511 WeakPolarHBondContact CB-O 3.48Å; W498-F571 HydrophobicContact CH2-CZ 4.01Å; W498-F571 HydrophobicContact CZ3-CE1 4.42Å; W498-F571 AromaticContact CZ3-CZ 3.78Å; W498-F571 HydrophobicContact CZ3-CZ 3.78Å; W498-K601 VanDerWaalsContact CE2-NZ 3.32Å; W498-K601 HydrophobicContact CZ2-CD 4.13Å; W498-L607 HydrophobicContact CH2-CD1 3.46Å; W498-L607 VanDerWaalsContact CH2-CD1 3.46Å; W498-L607 HydrophobicContact CZ2-CD1 4.44Å; W498-L607 HydrophobicContact CZ3-CD1 4.15Å
499	A	64.5	Low	61.3	Low	60 Å²	60	69.7 Å²	69.7	50%	0.496	37%	0.371	S	S	.	.			trans	-92.9	-25.6	-174.4	0	0	0	0	0	111.7	L479 K497 M511	L479-A499 PolarHBondContact N-O 3.32Å; K497-A499 PolarHBondContact O-N 2.67Å; A499-M511 PolarHBondContact N-O 3.29Å
500	S	80.5	Confident	64.1	Low	11 Å²	11	61.1 Å²	61.1	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	164.9	-175.1	56.6	0	0	0	0	114.1	H476 W477 N478 M511	H476-S500 WeakPolarHBondContact NE2-CB 3.19Å; H476-S500 PolarHBondContact NE2-OG 3.19Å; W477-S500 CarbonylContact O-C 3.48Å; W477-S500 WeakPolarHBondContact O-CA 3.19Å; W477-S500 WeakPolarHBondContact O-CB 3.36Å; N478-S500 WeakPolarHBondContact OD1-CB 3.34Å; S500-M511 WeakPolarHBondContact O-CB 3.45Å; S500-M511 PolarHBondContact O-N 3.34Å; S500-M511 VanDerWaalsContact OG-CB 3.31Å; S500-M511 WeakPolarHBondContact OG-CB 3.43Å
501	L	87	Confident	66.8	Low	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.3	174.7	-66.7	84.7	0	0	0	109.9	W477 W498 F503 L508 I509 F510 F571 L609	W477-L501 PolarHBondContact N-O 2.83Å; W477-L501 PolarHBondContact O-N 2.85Å; W498-L501 HydrophobicContact CE3-CD1 4.34Å; L501-F503 HydrophobicContact CB-CE2 4.09Å; L501-F503 HydrophobicContact CD2-CE2 4.3Å; L501-L508 HydrophobicContact CB-CD1 4.09Å; L501-L508 HydrophobicContact CD2-CD1 4.06Å; L501-L508 HydrophobicContact CD2-CD2 4.46Å; L501-I509 CarbonylContact C-O 3.56Å; L501-I509 WeakPolarHBondContact CA-O 3.24Å; L501-F510 HydrophobicContact CD2-CD1 3.85Å; L501-F510 HydrophobicContact CD2-CE1 3.47Å; L501-F510 VanDerWaalsContact CD2-CE1 3.47Å; L501-F510 HydrophobicContact CD2-CE2 4.46Å; L501-F510 HydrophobicContact CD2-CG 4.49Å; L501-F510 HydrophobicContact CD2-CZ 3.81Å; L501-F510 HydrophobicContact CG-CD1 3.98Å; L501-F510 HydrophobicContact CG-CE1 4.13Å; L501-F510 HydrophobicContact CG-CG 4.49Å; L501-F571 HydrophobicContact CD2-CE2 4.3Å; L501-F571 HydrophobicContact CD2-CZ 4.46Å; L501-L609 HydrophobicContact CD1-CD1 4.03Å; L501-L609 HydrophobicContact CD1-CD2 3.57Å; L501-L609 HydrophobicContact CD1-CG 4.46Å; L501-L609 HydrophobicContact CD2-CD1 4.26Å
502	I	87.8	Confident	68.9	Low	46 Å²	46	56.6 Å²	56.6	24%	0.236	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117	175.2	-57.7	166.9	0	0	0	108.5	G475 L508 I509 M511	G475-I502 WeakPolarHBondContact O-CA 3.31Å; I502-L508 CarbonylContact O-C 3.59Å; I502-L508 WeakPolarHBondContact O-CA 3.27Å; I502-L508 WeakPolarHBondContact O-CD1 3.41Å; I502-I509 HydrophobicContact CB-CB 4.23Å; I502-I509 PolarHBondContact N-O 3.17Å; I502-I509 PolarHBondContact O-N 3.43Å; I502-M511 HydrophobicContact CD1-CG 3.9Å; I502-M511 HydrophobicContact CD1-SD 3.87Å; I502-M511 HydrophobicContact CG1-CG 4.22Å
503	F	88.8	Confident	70.7	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	173.2	-74	-97.9	0	0	0	109	F469 Y473 Q474 G475 W477 L501 L508 L550 L552 M569 L609	F469-F503 HydrophobicContact CD1-CD1 4.08Å; F469-F503 HydrophobicContact CD1-CE1 4.35Å; F469-F503 HydrophobicContact CD2-CD1 4.12Å; F469-F503 HydrophobicContact CE1-CD1 4.2Å; F469-F503 HydrophobicContact CE1-CE1 4.14Å; F469-F503 HydrophobicContact CE2-CD1 4.22Å; F469-F503 HydrophobicContact CG-CD1 4.04Å; F469-F503 HydrophobicContact CZ-CD1 4.25Å; F469-F503 HydrophobicContact CZ-CE1 4.32Å; Y473-F503 VanDerWaalsContact O-CB 3.23Å; Y473-F503 WeakPolarHBondContact O-CB 3.44Å; Q474-F503 CarbonylContact C-O 3.57Å; Q474-F503 VanDerWaalsContact CA-O 3.29Å; Q474-F503 WeakPolarHBondContact CA-O 3.05Å; G475-F503 PolarHBondContact N-O 3.31Å; G475-F503 PolarHBondContact O-N 2.92Å; W477-F503 AromaticContact CD1-CD2 3.64Å; L501-F503 HydrophobicContact CB-CE2 4.09Å; L501-F503 HydrophobicContact CD2-CE2 4.3Å; F503-L508 HydrophobicContact CD1-CD1 3.82Å; F503-L508 HydrophobicContact CD2-CD1 3.66Å; F503-L508 HydrophobicContact CE1-CD1 3.66Å; F503-L508 HydrophobicContact CE1-CD2 4.04Å; F503-L508 HydrophobicContact CE1-CG 4.32Å; F503-L508 HydrophobicContact CE2-CD1 3.51Å; F503-L508 HydrophobicContact CG-CD1 3.82Å; F503-L508 HydrophobicContact CZ-CD1 3.5Å; F503-L508 HydrophobicContact CZ-CD2 4.04Å; F503-L508 HydrophobicContact CZ-CG 4.39Å; F503-L550 HydrophobicContact CE1-CD2 3.81Å; F503-L550 HydrophobicContact CZ-CD2 4.24Å; F503-L552 HydrophobicContact CE1-CD1 3.98Å; F503-L552 HydrophobicContact CE1-CD2 4.36Å; F503-L552 HydrophobicContact CZ-CD1 4.41Å; F503-L552 HydrophobicContact CZ-CD2 4.04Å; F503-M569 HydrophobicContact CE2-CE 3.97Å; F503-M569 HydrophobicContact CZ-CE 4.2Å; F503-L609 HydrophobicContact CE2-CD1 4.48Å
504	G	87.1	Confident	72.4	Confident	7 Å²	7	56.5 Å²	56.5	7%	0.072	29%	0.292	C	S	.	.			trans	-89.6	-167.3	166.7	0	0	0	0	0	111.3	F469 Y507	F469-G504 WeakPolarHBondContact CD2-O 3.34Å; G504-Y507 PolarHBondContact N-O 3.37Å
505	E	87.5	Confident	74.3	Confident	127 Å²	127	55.1 Å²	55.1	59%	0.593	29%	0.288	S	S	*	.	S	Bend	trans	-62.7	-48.7	176.6	-69.4	-175	163.5	0	0	111.9	T468 F469	T468-E505 CarbonylContact C-O 3.5Å; T468-E505 WeakPolarHBondContact CA-O 2.97Å; F469-E505 PolarHBondContact N-O 2.84Å
506	N	88.3	Confident	76.1	Confident	56 Å²	56	51.7 Å²	51.7	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	-129.2	14.3	-176.2	63.9	-4.8	0	0	0	113.2	C467 L519 C520	C467-N506 WeakPolarHBondContact O-CB 3.29Å; N506-L519 CarbonylContact O-C 3.59Å; N506-L519 WeakPolarHBondContact O-CA 3.47Å; N506-C520 PolarHBondContact O-N 3.15Å
507	Y	89.8	Confident	78	Confident	81 Å²	81	52.6 Å²	52.6	32%	0.318	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	-178.1	69.3	-96.1	0	0	0	112.5	G504 I509 Y518	G504-Y507 PolarHBondContact N-O 3.37Å; Y507-I509 HydrophobicContact CD2-CD1 4.04Å; Y507-I509 HydrophobicContact CD2-CG1 3.82Å; Y507-I509 HydrophobicContact CE2-CD1 3.76Å; Y507-I509 HydrophobicContact CE2-CG1 4Å; Y507-Y518 CarbonylContact C-O 3.38Å; Y507-Y518 WeakPolarHBondContact CA-O 3.4Å; Y507-Y518 WeakPolarHBondContact CB-O 3.48Å
508	L	89.4	Confident	79.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.6	175.4	173.7	59.3	0	0	0	109.4	F469 L501 I502 F503 F510 S517 Y518 I534 L550	F469-L508 HydrophobicContact CE2-CB 4.21Å; F469-L508 HydrophobicContact CZ-CB 4.3Å; L501-L508 HydrophobicContact CB-CD1 4.09Å; L501-L508 HydrophobicContact CD2-CD1 4.06Å; L501-L508 HydrophobicContact CD2-CD2 4.46Å; I502-L508 CarbonylContact O-C 3.59Å; I502-L508 WeakPolarHBondContact O-CA 3.27Å; I502-L508 WeakPolarHBondContact O-CD1 3.41Å; F503-L508 HydrophobicContact CD1-CD1 3.82Å; F503-L508 HydrophobicContact CD2-CD1 3.66Å; F503-L508 HydrophobicContact CE1-CD1 3.66Å; F503-L508 HydrophobicContact CE1-CD2 4.04Å; F503-L508 HydrophobicContact CE1-CG 4.32Å; F503-L508 HydrophobicContact CE2-CD1 3.51Å; F503-L508 HydrophobicContact CG-CD1 3.82Å; F503-L508 HydrophobicContact CZ-CD1 3.5Å; F503-L508 HydrophobicContact CZ-CD2 4.04Å; F503-L508 HydrophobicContact CZ-CG 4.39Å; L508-F510 HydrophobicContact CD2-CD2 4.46Å; L508-F510 HydrophobicContact CD2-CE2 3.54Å; L508-F510 HydrophobicContact CD2-CZ 3.85Å; L508-F510 HydrophobicContact CG-CD2 4.26Å; L508-F510 HydrophobicContact CG-CE2 3.79Å; L508-F510 HydrophobicContact CG-CZ 4.45Å; L508-S517 CarbonylContact O-C 3.55Å; L508-S517 WeakPolarHBondContact O-CA 3.4Å; L508-Y518 PolarHBondContact N-O 2.74Å; L508-Y518 PolarHBondContact O-N 3.48Å; L508-I534 HydrophobicContact CD2-CD1 3.8Å; L508-L550 HydrophobicContact CD2-CD2 4.13Å
509	I	86.9	Confident	81	Confident	41 Å²	41	49.8 Å²	49.8	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.3	175.7	-53	176.1	0	0	0	109.4	L501 I502 Y507 M511 N515 K516	L501-I509 CarbonylContact C-O 3.56Å; L501-I509 WeakPolarHBondContact CA-O 3.24Å; I502-I509 HydrophobicContact CB-CB 4.23Å; I502-I509 PolarHBondContact N-O 3.17Å; I502-I509 PolarHBondContact O-N 3.43Å; Y507-I509 HydrophobicContact CD2-CD1 4.04Å; Y507-I509 HydrophobicContact CD2-CG1 3.82Å; Y507-I509 HydrophobicContact CE2-CD1 3.76Å; Y507-I509 HydrophobicContact CE2-CG1 4Å; I509-M511 HydrophobicContact CG2-CG 4.4Å; I509-M511 HydrophobicContact CG2-SD 3.97Å; I509-N515 HydrophobicContact CG2-CB 4.42Å; I509-K516 CarbonylContact C-O 3.58Å; I509-K516 VanDerWaalsContact CA-O 3.3Å; I509-K516 WeakPolarHBondContact CA-O 3.48Å
510	F	84.7	Confident	82.1	Confident	7 Å²	7	47 Å²	47	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.7	167.2	-68.6	-103.7	0	0	0	108.4	L501 L508 N515 K516 Y518 L573 L596	L501-F510 HydrophobicContact CD2-CD1 3.85Å; L501-F510 HydrophobicContact CD2-CE1 3.47Å; L501-F510 VanDerWaalsContact CD2-CE1 3.47Å; L501-F510 HydrophobicContact CD2-CE2 4.46Å; L501-F510 HydrophobicContact CD2-CG 4.49Å; L501-F510 HydrophobicContact CD2-CZ 3.81Å; L501-F510 HydrophobicContact CG-CD1 3.98Å; L501-F510 HydrophobicContact CG-CE1 4.13Å; L501-F510 HydrophobicContact CG-CG 4.49Å; L508-F510 HydrophobicContact CD2-CD2 4.46Å; L508-F510 HydrophobicContact CD2-CE2 3.54Å; L508-F510 HydrophobicContact CD2-CZ 3.85Å; L508-F510 HydrophobicContact CG-CD2 4.26Å; L508-F510 HydrophobicContact CG-CE2 3.79Å; L508-F510 HydrophobicContact CG-CZ 4.45Å; F510-N515 WeakPolarHBondContact O-CA 3.35Å; F510-K516 HydrophobicContact CB-CB 4.46Å; F510-K516 PolarHBondContact N-O 3.33Å; F510-K516 PolarHBondContact O-N 3.43Å; F510-Y518 AromaticContact CD2-CD2 3.66Å; F510-Y518 HydrophobicContact CD2-CD2 3.66Å; F510-Y518 AromaticContact CD2-CE2 3.54Å; F510-Y518 HydrophobicContact CD2-CE2 3.54Å; F510-Y518 AromaticContact CE2-CD2 3.63Å; F510-Y518 HydrophobicContact CE2-CD2 3.63Å; F510-Y518 AromaticContact CE2-CE2 3.63Å; F510-Y518 HydrophobicContact CE2-CE2 3.63Å; F510-L573 HydrophobicContact CE1-CD1 3.86Å; F510-L573 HydrophobicContact CZ-CD1 3.75Å; F510-L573 HydrophobicContact CZ-CD2 4.39Å; F510-L596 HydrophobicContact CD1-CD2 4.02Å; F510-L596 HydrophobicContact CE1-CD2 4.18Å
511	M	79.6	Confident	82.2	Confident	59 Å²	59	47 Å²	47	29%	0.291	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.3	-178.5	-64.2	-73.3	-68.2	0	0	110.3	W498 A499 S500 I502 I509 N515	W498-M511 CarbonylContact C-O 3.48Å; W498-M511 VanDerWaalsContact CA-O 3.23Å; W498-M511 WeakPolarHBondContact CA-O 2.98Å; W498-M511 WeakPolarHBondContact CB-O 3.48Å; A499-M511 PolarHBondContact N-O 3.29Å; S500-M511 WeakPolarHBondContact O-CB 3.45Å; S500-M511 PolarHBondContact O-N 3.34Å; S500-M511 VanDerWaalsContact OG-CB 3.31Å; S500-M511 WeakPolarHBondContact OG-CB 3.43Å; I502-M511 HydrophobicContact CD1-CG 3.9Å; I502-M511 HydrophobicContact CD1-SD 3.87Å; I502-M511 HydrophobicContact CG1-CG 4.22Å; I509-M511 HydrophobicContact CG2-CG 4.4Å; I509-M511 HydrophobicContact CG2-SD 3.97Å; M511-N515 WeakPolarHBondContact CA-OD1 3.42Å
512	G	71.1	Confident	82	Confident	33 Å²	33	50.5 Å²	50.5	34%	0.34	26%	0.258	S	S	.	.	S	Bend	trans	-165.5	-151.9	179.7	0	0	0	0	0	110.8	T514 N515	G512-T514 VanDerWaalsContact C-N 3.27Å; G512-T514 PolarHBondContact O-N 3.03Å; G512-N515 PolarHBondContact N-OD1 3.43Å; G512-N515 PolarHBondContact O-OD1 3.12Å
513	E	64.2	Low	81.7	Confident	178 Å²	178	49.1 Å²	49.1	83%	0.832	25%	0.251	S	S	*	.	S	Bend	trans	-61.4	-37.6	173.2	-70.6	175.4	173.4	0	0	112.1
514	T	62.6	Low	81.1	Confident	85 Å²	85	49.2 Å²	49.2	52%	0.521	25%	0.251	S	S	.	.	S	Bend	trans	-123.1	116.7	170.9	48	0	0	0	0	109.1	G512 K516	G512-T514 VanDerWaalsContact C-N 3.27Å; G512-T514 PolarHBondContact O-N 3.03Å; T514-K516 PolarHBondContact O-N 3.09Å
515	N	72.5	Confident	80	Confident	100 Å²	100	57.5 Å²	57.5	54%	0.535	28%	0.28	S	S	.	.			trans	-71.1	129.5	177.9	-68.7	-13.7	0	0	0	109.9	I509 F510 M511 G512	I509-N515 HydrophobicContact CG2-CB 4.42Å; F510-N515 WeakPolarHBondContact O-CA 3.35Å; M511-N515 WeakPolarHBondContact CA-OD1 3.42Å; G512-N515 PolarHBondContact N-OD1 3.43Å; G512-N515 PolarHBondContact O-OD1 3.12Å
516	K	73.9	Confident	78.2	Confident	66 Å²	66	58.9 Å²	58.9	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.3	178	-70.6	-173.9	169.5	-176.5	0	110.3	I509 F510 T514 Y518 N597	I509-K516 CarbonylContact C-O 3.58Å; I509-K516 VanDerWaalsContact CA-O 3.3Å; I509-K516 WeakPolarHBondContact CA-O 3.48Å; F510-K516 HydrophobicContact CB-CB 4.46Å; F510-K516 PolarHBondContact N-O 3.33Å; F510-K516 PolarHBondContact O-N 3.43Å; T514-K516 PolarHBondContact O-N 3.09Å; K516-Y518 HydrophobicContact CB-CE2 4.02Å; K516-N597 WeakPolarHBondContact CE-OD1 3.47Å; K516-N597 PolarHBondContact NZ-OD1 3.39Å
517	S	82.8	Confident	76.3	Confident	38 Å²	38	61.5 Å²	61.5	27%	0.266	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.5	179.8	61.9	0	0	0	0	111.7	L508 R537	L508-S517 CarbonylContact O-C 3.55Å; L508-S517 WeakPolarHBondContact O-CA 3.4Å; S517-R537 WeakPolarHBondContact O-CB 3.5Å; S517-R537 PolarHBondContact O-N 3.37Å; S517-R537 WeakPolarHBondContact OG-CB 3.4Å
518	Y	85.6	Confident	74.6	Confident	16 Å²	16	61.2 Å²	61.2	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.3	177.5	-64.2	-98.7	0	0	0	110.1	Y507 L508 F510 K516 I534 R535 I548 L596	Y507-Y518 CarbonylContact C-O 3.38Å; Y507-Y518 WeakPolarHBondContact CA-O 3.4Å; Y507-Y518 WeakPolarHBondContact CB-O 3.48Å; L508-Y518 PolarHBondContact N-O 2.74Å; L508-Y518 PolarHBondContact O-N 3.48Å; F510-Y518 AromaticContact CD2-CD2 3.66Å; F510-Y518 HydrophobicContact CD2-CD2 3.66Å; F510-Y518 AromaticContact CD2-CE2 3.54Å; F510-Y518 HydrophobicContact CD2-CE2 3.54Å; F510-Y518 AromaticContact CE2-CD2 3.63Å; F510-Y518 HydrophobicContact CE2-CD2 3.63Å; F510-Y518 AromaticContact CE2-CE2 3.63Å; F510-Y518 HydrophobicContact CE2-CE2 3.63Å; K516-Y518 HydrophobicContact CB-CE2 4.02Å; Y518-I534 HydrophobicContact CD1-CD1 4.2Å; Y518-I534 HydrophobicContact CD1-CG1 4.25Å; Y518-I534 HydrophobicContact CG-CD1 4.13Å; Y518-R535 CarbonylContact C-O 3.57Å; Y518-R535 WeakPolarHBondContact CA-O 3.01Å; Y518-R535 WeakPolarHBondContact CB-O 3.47Å; Y518-R535 VanDerWaalsContact CD1-C 3.44Å; Y518-I548 HydrophobicContact CD1-CD1 4.32Å; Y518-I548 HydrophobicContact CE1-CD1 3.49Å; Y518-I548 VanDerWaalsContact CE1-CD1 3.49Å; Y518-I548 HydrophobicContact CE1-CG1 4.38Å; Y518-L596 WeakPolarHBondContact OH-CD1 3.21Å
519	L	86.9	Confident	73.1	Confident	31 Å²	31	64.7 Å²	64.7	16%	0.162	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.4	172.2	-73.3	165.7	0	0	0	110	N506 I521 I534 R535 R537	N506-L519 CarbonylContact O-C 3.59Å; N506-L519 WeakPolarHBondContact O-CA 3.47Å; L519-I521 HydrophobicContact CB-CD1 4.02Å; L519-I521 PolarHBondContact O-N 3.36Å; L519-I534 CarbonylContact O-C 3.55Å; L519-I534 VanDerWaalsContact O-CA 3.22Å; L519-I534 WeakPolarHBondContact O-CA 3.09Å; L519-R535 PolarHBondContact N-O 3.23Å; L519-R535 PolarHBondContact O-N 3.11Å; L519-R537 HydrophobicContact CD1-CG 3.77Å; L519-R537 HydrophobicContact CG-CG 3.91Å
520	C	87.2	Confident	72.6	Confident	2 Å²	2	64 Å²	64	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.6	171.9	-165.2	0	0	0	0	108.6	S466 C467 F469 N506	S466-C520 WeakPolarHBondContact CA-O 3.36Å; C467-C520 HydrophobicContact CB-CB 4.22Å; C467-C520 WeakPolarHBondContact CB-SG 3.49Å; C467-C520 PolarHBondContact N-O 2.84Å; C467-C520 VanDerWaalsContact O-CB 3.26Å; C467-C520 WeakPolarHBondContact O-CB 3.48Å; C467-C520 PolarHBondContact O-SG 3.02Å; C467-C520 WeakPolarHBondContact SG-CA 3.39Å; C467-C520 WeakPolarHBondContact SG-CB 3.35Å; C467-C520 CovalentContact SG-SG 2.02Å; C467-C520 PolarHBondContact SG-SG 3.03Å; F469-C520 HydrophobicContact CD2-CB 4.2Å; F469-C520 HydrophobicContact CE1-CB 4.36Å; F469-C520 HydrophobicContact CE2-CB 3.68Å; F469-C520 HydrophobicContact CZ-CB 3.77Å; N506-C520 PolarHBondContact O-N 3.15Å
521	I	83.1	Confident	72.5	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.062	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-50.9	-178.2	-53.7	-48	0	0	0	110.9	W464 D465 C467 L519 I533 R535	W464-I521 HydrophobicContact CD2-CD1 4.17Å; W464-I521 HydrophobicContact CE3-CD1 3.46Å; W464-I521 VanDerWaalsContact CE3-CD1 3.46Å; W464-I521 HydrophobicContact CE3-CG1 4.36Å; W464-I521 HydrophobicContact CZ3-CD1 4Å; D465-I521 CarbonylContact C-O 3.54Å; D465-I521 CarbonylContact O-C 3.51Å; D465-I521 VanDerWaalsContact O-CA 3.28Å; D465-I521 WeakPolarHBondContact O-CA 3.36Å; C467-I521 PolarHBondContact N-O 2.84Å; C467-I521 PolarHBondContact SG-N 3.48Å; L519-I521 HydrophobicContact CB-CD1 4.02Å; L519-I521 PolarHBondContact O-N 3.36Å; I521-I533 PolarHBondContact N-O 3.27Å; I521-R535 HydrophobicContact CD1-CB 3.86Å; I521-R535 HydrophobicContact CG1-CB 3.57Å
522	R	83.2	Confident	72.8	Confident	72 Å²	72	62.7 Å²	62.7	27%	0.272	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.1	-176.3	-177.6	174.6	175.7	-169.4	-1	112.3	C467 E526 F532 I533	C467-R522 VanDerWaalsContact SG-CA 3.57Å; C467-R522 PolarHBondContact SG-N 2.92Å; R522-E526 IonicContact CZ-OE1 3.32Å; R522-E526 IonicContact NH2-OE1 3.65Å; R522-E526 PolarHBondContact NH2-OE1 2.78Å; R522-E526 IonicContact NH2-OE2 2.85Å; R522-E526 PolarHBondContact NH2-OE2 3.42Å; R522-E526 VanDerWaalsContact NH2-OE2 3.09Å; R522-F532 CarbonylContact O-C 3.41Å; R522-F532 WeakPolarHBondContact O-CA 3.46Å; R522-I533 HydrophobicContact CB-CB 4.46Å; R522-I533 PolarHBondContact N-O 3.2Å; R522-I533 PolarHBondContact O-N 3.29Å
523	E	81.2	Confident	73.5	Confident	18 Å²	18	61.6 Å²	61.6	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.7	161.7	-171.6	-177.2	-178.9	0	0	108.4	K470 R525 W531 F532	K470-E523 VanDerWaalsContact CE-OE1 3.3Å; K470-E523 WeakPolarHBondContact CE-OE1 3.13Å; K470-E523 IonicContact NZ-OE1 3.15Å; K470-E523 PolarHBondContact NZ-OE1 3.24Å; E523-R525 HydrophobicContact CB-CG 4.13Å; E523-R525 HydrophobicContact CG-CG 3.77Å; E523-R525 PolarHBondContact O-N 3.42Å; E523-R525 IonicContact OE1-NE 3.25Å; E523-R525 IonicContact OE2-CZ 3.97Å; E523-R525 VanDerWaalsContact OE2-CZ 3.25Å; E523-R525 IonicContact OE2-NE 2.76Å; E523-R525 PolarHBondContact OE2-NE 2.65Å; E523-R525 IonicContact OE2-NH2 3.92Å; E523-R525 PolarHBondContact OE2-NH2 2.88Å; E523-W531 CarbonylContact C-O 3.52Å; E523-W531 WeakPolarHBondContact CA-O 3.37Å; E523-F532 HydrophobicContact CB-CD1 4.06Å; E523-F532 HydrophobicContact CB-CE1 4Å; E523-F532 HydrophobicContact CG-CD1 4.13Å; E523-F532 HydrophobicContact CG-CE1 3.78Å; E523-F532 HydrophobicContact CG-CZ 4.25Å
524	V	76.2	Confident	74.5	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	26%	0.259	C	S	.	.			trans	-81	56.5	-176.8	-166.4	0	0	0	0	110.3	E526 V527 I528 W531 I533 V583	V524-E526 PolarHBondContact O-N 3.39Å; V524-E526 VanDerWaalsContact O-N 3.11Å; V524-V527 HydrophobicContact CG1-CG2 4.38Å; V524-V527 PolarHBondContact O-N 3.27Å; V524-I528 VanDerWaalsContact O-O 3.05Å; V524-W531 HydrophobicContact CB-CB 4.05Å; V524-W531 HydrophobicContact CG2-CB 4.27Å; V524-W531 PolarHBondContact N-O 3.06Å; V524-I533 HydrophobicContact CG2-CD1 4.17Å; V524-I533 HydrophobicContact CG2-CG1 3.96Å; V524-V583 HydrophobicContact CG1-CG1 3.91Å; V524-V583 HydrophobicContact CG2-CG1 4.26Å
525	R	63.1	Low	75.5	Confident	181 Å²	181	49.3 Å²	49.3	68%	0.683	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.8	-174.8	-69.9	-172.9	176.8	-179	1.9	114.1	E523 V527	E523-R525 HydrophobicContact CB-CG 4.13Å; E523-R525 HydrophobicContact CG-CG 3.77Å; E523-R525 PolarHBondContact O-N 3.42Å; E523-R525 IonicContact OE1-NE 3.25Å; E523-R525 IonicContact OE2-CZ 3.97Å; E523-R525 VanDerWaalsContact OE2-CZ 3.25Å; E523-R525 IonicContact OE2-NE 2.76Å; E523-R525 PolarHBondContact OE2-NE 2.65Å; E523-R525 IonicContact OE2-NH2 3.92Å; E523-R525 PolarHBondContact OE2-NH2 2.88Å; R525-V527 VanDerWaalsContact C-N 3.26Å; R525-V527 PolarHBondContact O-N 2.77Å
526	E	49.6	Very low	75.8	Confident	157 Å²	157	45.4 Å²	45.4	73%	0.734	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.5	-174.2	-74.1	160.1	-146.1	0	0	114	R522 V524	R522-E526 IonicContact CZ-OE1 3.32Å; R522-E526 IonicContact NH2-OE1 3.65Å; R522-E526 PolarHBondContact NH2-OE1 2.78Å; R522-E526 IonicContact NH2-OE2 2.85Å; R522-E526 PolarHBondContact NH2-OE2 3.42Å; R522-E526 VanDerWaalsContact NH2-OE2 3.09Å; V524-E526 PolarHBondContact O-N 3.39Å; V524-E526 VanDerWaalsContact O-N 3.11Å
527	V	48.3	Very low	75.5	Confident	111 Å²	111	49.2 Å²	49.2	67%	0.673	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-49.1	-174.1	-162.9	0	0	0	0	112	V524 R525	V524-V527 HydrophobicContact CG1-CG2 4.38Å; V524-V527 PolarHBondContact O-N 3.27Å; R525-V527 VanDerWaalsContact C-N 3.26Å; R525-V527 PolarHBondContact O-N 2.77Å
528	I	54.8	Low	74.6	Confident	74 Å²	74	56.4 Å²	56.4	38%	0.379	26%	0.255	S	S	.	.			trans	-150.4	129.5	-175.6	-50.7	179.3	0	0	0	108.4	V524 W531	V524-I528 VanDerWaalsContact O-O 3.05Å; I528-W531 HydrophobicContact CB-CD2 4.32Å; I528-W531 HydrophobicContact CB-CG 4.44Å; I528-W531 HydrophobicContact CD1-CD2 4.44Å; I528-W531 HydrophobicContact CD1-CH2 3.83Å; I528-W531 HydrophobicContact CD1-CZ2 3.66Å; I528-W531 HydrophobicContact CD1-CZ3 4.29Å
529	Q	57.7	Low	73.4	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.341	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	148.4	172.7	-75	-179.7	-23.2	0	0	110.2
530	D	75.7	Confident	72.1	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.144	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	18	174.4	-45.4	-37.7	0	0	0	115.7	K470 Y473 L552	K470-D530 IonicContact NZ-OD1 2.84Å; K470-D530 PolarHBondContact NZ-OD1 3.32Å; Y473-D530 PolarHBondContact OH-OD1 2.9Å; Y473-D530 VanDerWaalsContact OH-OD1 3.05Å; Y473-D530 PolarHBondContact OH-OD2 3.33Å; D530-L552 HydrophobicContact CB-CB 4.46Å; D530-L552 WeakPolarHBondContact CB-O 3.45Å; D530-L552 PolarHBondContact O-N 3.17Å
531	W	82.4	Confident	71.5	Confident	38 Å²	38	62 Å²	62	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.6	165.4	-74.1	20.1	0	0	0	110.2	E523 V524 I528 L550 E551 C587 F589	E523-W531 CarbonylContact C-O 3.52Å; E523-W531 WeakPolarHBondContact CA-O 3.37Å; V524-W531 HydrophobicContact CB-CB 4.05Å; V524-W531 HydrophobicContact CG2-CB 4.27Å; V524-W531 PolarHBondContact N-O 3.06Å; I528-W531 HydrophobicContact CB-CD2 4.32Å; I528-W531 HydrophobicContact CB-CG 4.44Å; I528-W531 HydrophobicContact CD1-CD2 4.44Å; I528-W531 HydrophobicContact CD1-CH2 3.83Å; I528-W531 HydrophobicContact CD1-CZ2 3.66Å; I528-W531 HydrophobicContact CD1-CZ3 4.29Å; W531-L550 CarbonylContact C-O 3.59Å; W531-L550 WeakPolarHBondContact CA-O 3.3Å; W531-E551 WeakPolarHBondContact CZ2-OE1 3.46Å; W531-E551 VanDerWaalsContact NE1-CD 3.34Å; W531-E551 VanDerWaalsContact NE1-CG 3.35Å; W531-E551 PolarHBondContact NE1-OE1 3.43Å; W531-C587 HydrophobicContact CE3-CB 3.92Å; W531-C587 HydrophobicContact CZ3-CB 3.66Å; W531-F589 HydrophobicContact CD2-CE2 4.24Å; W531-F589 AromaticContact CE2-CE2 3.98Å; W531-F589 HydrophobicContact CE3-CE2 4.21Å; W531-F589 HydrophobicContact CH2-CD2 4.01Å; W531-F589 AromaticContact CH2-CE2 3.69Å; W531-F589 HydrophobicContact CH2-CE2 3.69Å; W531-F589 HydrophobicContact CZ2-CD2 4.11Å; W531-F589 AromaticContact CZ2-CE2 3.71Å; W531-F589 HydrophobicContact CZ2-CE2 3.71Å; W531-F589 AromaticContact CZ3-CE2 3.96Å; W531-F589 HydrophobicContact CZ3-CE2 3.96Å
532	F	85.9	Confident	71	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.1	-177.2	-59	-90.9	0	0	0	110.3	F469 Y473 R522 E523 I534 C549 L550 L552	F469-F532 AromaticContact CD1-CD1 4Å; F469-F532 HydrophobicContact CD1-CD1 4Å; F469-F532 HydrophobicContact CD1-CD2 4.39Å; F469-F532 HydrophobicContact CD1-CE1 4.05Å; F469-F532 HydrophobicContact CD1-CE2 4.44Å; F469-F532 HydrophobicContact CD1-CG 4.17Å; F469-F532 HydrophobicContact CD1-CZ 4.28Å; F469-F532 HydrophobicContact CE1-CB 4.11Å; F469-F532 AromaticContact CE1-CD1 3.98Å; F469-F532 HydrophobicContact CE1-CD1 3.98Å; F469-F532 HydrophobicContact CE1-CD2 4.24Å; F469-F532 HydrophobicContact CE1-CE1 4.48Å; F469-F532 AromaticContact CE1-CG 3.84Å; F469-F532 HydrophobicContact CE1-CG 3.84Å; Y473-F532 HydrophobicContact CD2-CE2 4.45Å; Y473-F532 HydrophobicContact CD2-CZ 4.38Å; Y473-F532 HydrophobicContact CE2-CE2 4.07Å; Y473-F532 HydrophobicContact CE2-CZ 4.09Å; R522-F532 CarbonylContact O-C 3.41Å; R522-F532 WeakPolarHBondContact O-CA 3.46Å; E523-F532 HydrophobicContact CB-CD1 4.06Å; E523-F532 HydrophobicContact CB-CE1 4Å; E523-F532 HydrophobicContact CG-CD1 4.13Å; E523-F532 HydrophobicContact CG-CE1 3.78Å; E523-F532 HydrophobicContact CG-CZ 4.25Å; F532-I534 HydrophobicContact CB-CG2 4.39Å; F532-C549 CarbonylContact O-C 3.52Å; F532-C549 WeakPolarHBondContact O-CA 3.46Å; F532-L550 HydrophobicContact CB-CB 4.34Å; F532-L550 HydrophobicContact CB-CD2 4.46Å; F532-L550 PolarHBondContact N-O 3Å; F532-L550 PolarHBondContact O-N 3.24Å; F532-L552 HydrophobicContact CD2-CD1 4.08Å; F532-L552 HydrophobicContact CD2-CG 4.29Å; F532-L552 HydrophobicContact CE2-CD1 3.83Å; F532-L552 HydrophobicContact CE2-CG 4.29Å
533	I	86	Confident	70.9	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.5	166.1	-61	175.1	0	0	0	106.7	I521 R522 V524 D547 V583 L586	I521-I533 PolarHBondContact N-O 3.27Å; R522-I533 HydrophobicContact CB-CB 4.46Å; R522-I533 PolarHBondContact N-O 3.2Å; R522-I533 PolarHBondContact O-N 3.29Å; V524-I533 HydrophobicContact CG2-CD1 4.17Å; V524-I533 HydrophobicContact CG2-CG1 3.96Å; I533-D547 HydrophobicContact CG2-CB 4.02Å; I533-V583 HydrophobicContact CD1-CG1 4.35Å; I533-V583 HydrophobicContact CD1-CG2 3.94Å; I533-L586 HydrophobicContact CD1-CD2 4.09Å; I533-L586 HydrophobicContact CG1-CD2 4.05Å; I533-L586 HydrophobicContact CG2-CD2 3.95Å
534	I	86.8	Confident	70.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.6	177.9	65.4	172.4	0	0	0	110.2	F469 L508 Y518 L519 F532 D547 I548 L550 L573	F469-I534 HydrophobicContact CE1-CG2 4.34Å; F469-I534 HydrophobicContact CZ-CG2 3.79Å; L508-I534 HydrophobicContact CD2-CD1 3.8Å; Y518-I534 HydrophobicContact CD1-CD1 4.2Å; Y518-I534 HydrophobicContact CD1-CG1 4.25Å; Y518-I534 HydrophobicContact CG-CD1 4.13Å; L519-I534 CarbonylContact O-C 3.55Å; L519-I534 VanDerWaalsContact O-CA 3.22Å; L519-I534 WeakPolarHBondContact O-CA 3.09Å; F532-I534 HydrophobicContact CB-CG2 4.39Å; I534-D547 CarbonylContact O-C 3.55Å; I534-D547 WeakPolarHBondContact O-CA 3.37Å; I534-I548 HydrophobicContact CD1-CB 4.39Å; I534-I548 HydrophobicContact CG1-CB 3.89Å; I534-I548 WeakPolarHBondContact CG1-O 3.49Å; I534-I548 PolarHBondContact N-O 3.12Å; I534-I548 PolarHBondContact O-N 3.23Å; I534-L550 HydrophobicContact CD1-CB 4.28Å; I534-L550 HydrophobicContact CG1-CB 4.46Å; I534-L550 HydrophobicContact CG2-CB 4.29Å; I534-L550 HydrophobicContact CG2-CD2 4.18Å; I534-L573 HydrophobicContact CD1-CD2 4.21Å
535	R	83.1	Confident	70.6	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.019	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.6	-175.1	176.9	168.2	-72.5	178.7	39.7	113.4	W464 Y518 L519 I521 R537 P545 R546 D547 Y579	W464-R535 HydrophobicContact CH2-CG 4.43Å; W464-R535 HydrophobicContact CZ3-CG 4.4Å; Y518-R535 CarbonylContact C-O 3.57Å; Y518-R535 WeakPolarHBondContact CA-O 3.01Å; Y518-R535 WeakPolarHBondContact CB-O 3.47Å; Y518-R535 VanDerWaalsContact CD1-C 3.44Å; L519-R535 PolarHBondContact N-O 3.23Å; L519-R535 PolarHBondContact O-N 3.11Å; I521-R535 HydrophobicContact CD1-CB 3.86Å; I521-R535 HydrophobicContact CG1-CB 3.57Å; R535-R537 PolarHBondContact O-N 3.23Å; R535-P545 HydrophobicContact CG-CB 3.51Å; R535-P545 HydrophobicContact CG-CG 4.46Å; R535-R546 WeakPolarHBondContact CA-O 3.16Å; R535-D547 WeakPolarHBondContact CB-OD1 3.27Å; R535-D547 IonicContact CZ-OD1 3.96Å; R535-D547 IonicContact CZ-OD2 3.5Å; R535-D547 IonicContact NE-OD1 2.75Å; R535-D547 PolarHBondContact NE-OD1 2.96Å; R535-D547 IonicContact NE-OD2 2.82Å; R535-D547 IonicContact NH2-OD1 3.04Å; R535-D547 PolarHBondContact NH2-OD1 3.47Å; R535-D547 IonicContact NH2-OD2 3.17Å; R535-D547 PolarHBondContact NH2-OD2 3.27Å; R535-Y579 VanDerWaalsContact NH1-CE2 3.26Å
536	S	77.4	Confident	71.2	Confident	18 Å²	18	51.6 Å²	51.6	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	127	175.6	59	0	0	0	0	112.1	Q539 R546	S536-Q539 VanDerWaalsContact OG-CG 3.27Å; S536-Q539 WeakPolarHBondContact OG-CG 3.2Å; S536-Q539 PolarHBondContact OG-NE2 2.91Å; S536-R546 PolarHBondContact N-O 2.71Å; S536-R546 VanDerWaalsContact N-O 3.12Å; S536-R546 PolarHBondContact OG-N 3.4Å
537	R	68.2	Low	72.7	Confident	145 Å²	145	44.5 Å²	44.5	55%	0.547	23%	0.226	S	C	.	.	S	Bend	trans	-77.9	-31.7	-175.2	-150	174.9	-166.4	-169	6.1	113.9	S517 L519 R535	S517-R537 WeakPolarHBondContact O-CB 3.5Å; S517-R537 PolarHBondContact O-N 3.37Å; S517-R537 WeakPolarHBondContact OG-CB 3.4Å; L519-R537 HydrophobicContact CD1-CG 3.77Å; L519-R537 HydrophobicContact CG-CG 3.91Å; R535-R537 PolarHBondContact O-N 3.23Å
538	K	63.2	Low	74.4	Confident	190 Å²	190	39.7 Å²	39.7	83%	0.826	20%	0.196	S	C	*	.			trans	-120.7	129.3	174.4	-74.9	-174.5	175.7	-175.6	0	108.2
539	Q	62.1	Low	75.8	Confident	47 Å²	47	36.1 Å²	36.1	22%	0.22	18%	0.178	C	C	.	.			trans	-124.8	142.7	166	-73	-140.8	-17.5	0	0	110	S536 N541 C543 Q544 P545	S536-Q539 VanDerWaalsContact OG-CG 3.27Å; S536-Q539 WeakPolarHBondContact OG-CG 3.2Å; S536-Q539 PolarHBondContact OG-NE2 2.91Å; Q539-N541 PolarHBondContact O-N 2.93Å; Q539-C543 HydrophobicContact CB-CB 4.01Å; Q539-C543 PolarHBondContact OE1-O 3.37Å; Q539-Q544 VanDerWaalsContact CD-O 3.25Å; Q539-Q544 PolarHBondContact NE2-O 3.48Å; Q539-Q544 PolarHBondContact OE1-O 3.43Å; Q539-P545 VanDerWaalsContact NE2-CA 3.3Å
540	A	59.6	Low	77.2	Confident	47 Å²	47	32.7 Å²	32.7	39%	0.388	16%	0.161	S	C	.	.	S	Bend	trans	-67.1	132.8	-176.5	0	0	0	0	0	110	G542 C543	A540-G542 PolarHBondContact O-N 3.24Å; A540-G542 VanDerWaalsContact O-N 3.12Å; A540-C543 VanDerWaalsContact O-CB 3.32Å; A540-C543 WeakPolarHBondContact O-CB 3.19Å; A540-C543 PolarHBondContact O-N 2.98Å; A540-C543 PolarHBondContact O-SG 3.19Å
541	N	73.6	Confident	77.6	Confident	71 Å²	71	33 Å²	33	38%	0.38	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.5	63.4	151.3	-54.9	-15.6	0	0	0	115.3	G266 R422 Q539	G266-N541 PolarHBondContact N-O 3.08Å; R422-N541 VanDerWaalsContact CD-O 3.27Å; R422-N541 WeakPolarHBondContact CD-O 3.4Å; R422-N541 PolarHBondContact NH1-O 3.11Å; Q539-N541 PolarHBondContact O-N 2.93Å
542	G	73.9	Confident	77.6	Confident	16 Å²	16	31.4 Å²	31.4	17%	0.165	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-0.5	172.7	0	0	0	0	0	116.8	G266 A423 G425 A540	G266-G542 WeakPolarHBondContact CA-O 2.88Å; A423-G542 WeakPolarHBondContact CB-O 3.44Å; A423-G542 WeakPolarHBondContact O-CA 3.39Å; G425-G542 WeakPolarHBondContact CA-O 2.96Å; A540-G542 PolarHBondContact O-N 3.24Å; A540-G542 VanDerWaalsContact O-N 3.12Å
543	C	79.7	Confident	77	Confident	9 Å²	9	36 Å²	36	6%	0.061	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-69.8	141.2	176.1	-65.9	0	0	0	0	112.7	G265 G266 C294 Q539 A540	G265-C543 VanDerWaalsContact CA-SG 3.51Å; G266-C543 PolarHBondContact N-SG 3.5Å; G266-C543 VanDerWaalsContact N-SG 3.37Å; C294-C543 WeakPolarHBondContact CA-SG 3.28Å; C294-C543 HydrophobicContact CB-CB 3.58Å; C294-C543 WeakPolarHBondContact CB-SG 3.42Å; C294-C543 WeakPolarHBondContact SG-CB 3.24Å; C294-C543 CovalentContact SG-SG 2.02Å; C294-C543 PolarHBondContact SG-SG 2.83Å; Q539-C543 HydrophobicContact CB-CB 4.01Å; Q539-C543 PolarHBondContact OE1-O 3.37Å; A540-C543 VanDerWaalsContact O-CB 3.32Å; A540-C543 WeakPolarHBondContact O-CB 3.19Å; A540-C543 PolarHBondContact O-N 2.98Å; A540-C543 PolarHBondContact O-SG 3.19Å
544	Q	75.6	Confident	76.1	Confident	23 Å²	23	36.4 Å²	36.4	11%	0.107	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-74.7	130.4	171.6	-67.4	178.4	-16.5	0	0	111.4	E291 D429 Q539 R546	E291-Q544 WeakPolarHBondContact OE1-CA 3.42Å; E291-Q544 WeakPolarHBondContact OE1-CB 3.37Å; E291-Q544 WeakPolarHBondContact OE1-CG 3.23Å; E291-Q544 PolarHBondContact OE1-N 2.67Å; D429-Q544 PolarHBondContact OD2-NE2 3.36Å; Q539-Q544 VanDerWaalsContact CD-O 3.25Å; Q539-Q544 PolarHBondContact NE2-O 3.48Å; Q539-Q544 PolarHBondContact OE1-O 3.43Å; Q544-R546 PolarHBondContact O-N 2.8Å; Q544-R546 PolarHBondContact O-NH1 2.87Å
545	P	75	Confident	74.6	Confident	12 Å²	12	36.8 Å²	36.8	8%	0.078	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-49.3	141.4	-178.7	12.8	-22.6	0	0	0	113.8	I426 W464 R535 Q539 Y579	I426-P545 HydrophobicContact CD1-CG 3.24Å; I426-P545 VanDerWaalsContact CG1-CD 3.41Å; I426-P545 HydrophobicContact CG1-CG 3.67Å; W464-P545 HydrophobicContact CH2-CG 4.19Å; R535-P545 HydrophobicContact CG-CB 3.51Å; R535-P545 HydrophobicContact CG-CG 4.46Å; Q539-P545 VanDerWaalsContact NE2-CA 3.3Å; P545-Y579 WeakPolarHBondContact O-CB 3.25Å; P545-Y579 PolarHBondContact O-N 3.44Å
546	R	76.7	Confident	72.9	Confident	9 Å²	9	39 Å²	39	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	174.4	-66.6	-40	-179.4	-129.8	11.2	109.6	E291 V295 E298 R535 S536 Q544 K577	E291-R546 IonicContact OE1-NH1 2.7Å; E291-R546 IonicContact OE2-CZ 2.74Å; E291-R546 IonicContact OE2-NH1 3.39Å; E291-R546 PolarHBondContact OE2-NH1 3.19Å; E291-R546 IonicContact OE2-NH2 2.71Å; E291-R546 PolarHBondContact OE2-NH2 3.43Å; V295-R546 HydrophobicContact CG2-CG 3.5Å; V295-R546 VanDerWaalsContact CG2-CG 3.5Å; E298-R546 IonicContact OE1-NE 3.54Å; E298-R546 IonicContact OE2-CZ 2.86Å; E298-R546 IonicContact OE2-NE 3.51Å; E298-R546 PolarHBondContact OE2-NE 3.41Å; E298-R546 IonicContact OE2-NH2 3.87Å; E298-R546 PolarHBondContact OE2-NH2 2.92Å; R535-R546 WeakPolarHBondContact CA-O 3.16Å; S536-R546 PolarHBondContact N-O 2.71Å; S536-R546 VanDerWaalsContact N-O 3.12Å; S536-R546 PolarHBondContact OG-N 3.4Å; Q544-R546 PolarHBondContact O-N 2.8Å; Q544-R546 PolarHBondContact O-NH1 2.87Å; R546-K577 CarbonylContact C-O 3.59Å; R546-K577 VanDerWaalsContact CA-O 3.27Å; R546-K577 WeakPolarHBondContact CA-O 3.31Å
547	D	80.6	Confident	71.2	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.4	167	-73	-25.7	0	0	0	109.7	I533 I534 R535 K577 L586	I533-D547 HydrophobicContact CG2-CB 4.02Å; I534-D547 CarbonylContact O-C 3.55Å; I534-D547 WeakPolarHBondContact O-CA 3.37Å; R535-D547 WeakPolarHBondContact CB-OD1 3.27Å; R535-D547 IonicContact CZ-OD1 3.96Å; R535-D547 IonicContact CZ-OD2 3.5Å; R535-D547 IonicContact NE-OD1 2.75Å; R535-D547 PolarHBondContact NE-OD1 2.96Å; R535-D547 IonicContact NE-OD2 2.82Å; R535-D547 IonicContact NH2-OD1 3.04Å; R535-D547 PolarHBondContact NH2-OD1 3.47Å; R535-D547 IonicContact NH2-OD2 3.17Å; R535-D547 PolarHBondContact NH2-OD2 3.27Å; D547-K577 PolarHBondContact N-O 3.08Å; D547-K577 PolarHBondContact O-N 2.91Å; D547-L586 HydrophobicContact CB-CD1 4.12Å; D547-L586 HydrophobicContact CB-CD2 3.91Å; D547-L586 WeakPolarHBondContact O-CD1 3.03Å
548	I	83.3	Confident	70.1	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.8	174.5	-54	175.9	0	0	0	106.8	Y518 I534 L573	Y518-I548 HydrophobicContact CD1-CD1 4.32Å; Y518-I548 HydrophobicContact CE1-CD1 3.49Å; Y518-I548 VanDerWaalsContact CE1-CD1 3.49Å; Y518-I548 HydrophobicContact CE1-CG1 4.38Å; I534-I548 HydrophobicContact CD1-CB 4.39Å; I534-I548 HydrophobicContact CG1-CB 3.89Å; I534-I548 WeakPolarHBondContact CG1-O 3.49Å; I534-I548 PolarHBondContact N-O 3.12Å; I534-I548 PolarHBondContact O-N 3.23Å; I548-L573 HydrophobicContact CG2-CB 4.15Å; I548-L573 HydrophobicContact CG2-CD2 3.92Å
549	C	85.5	Confident	68.8	Low	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126	168.7	-158.3	0	0	0	0	109.2	F532 L573 S574 L586 C587 F589	F532-C549 CarbonylContact O-C 3.52Å; F532-C549 WeakPolarHBondContact O-CA 3.46Å; C549-L573 CarbonylContact O-C 3.59Å; C549-L573 WeakPolarHBondContact O-CA 3.24Å; C549-S574 WeakPolarHBondContact CB-OG 3.41Å; C549-S574 PolarHBondContact N-OG 3.12Å; C549-S574 PolarHBondContact O-N 3.45Å; C549-L586 HydrophobicContact CB-CG 4.21Å; C549-C587 HydrophobicContact CB-CB 3.73Å; C549-C587 WeakPolarHBondContact CB-SG 3.33Å; C549-C587 WeakPolarHBondContact SG-CB 2.89Å; C549-C587 CovalentContact SG-SG 2.04Å; C549-C587 PolarHBondContact SG-SG 3.11Å; C549-F589 HydrophobicContact CB-CE1 4.5Å; C549-F589 HydrophobicContact CB-CZ 3.96Å
550	L	86.7	Confident	67.8	Low	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.8	175.7	171.4	71	0	0	0	108.3	F469 F503 L508 W531 F532 I534 L552 F571 R572 L573	F469-L550 HydrophobicContact CE1-CD2 3.92Å; F469-L550 HydrophobicContact CZ-CD2 4.33Å; F503-L550 HydrophobicContact CE1-CD2 3.81Å; F503-L550 HydrophobicContact CZ-CD2 4.24Å; L508-L550 HydrophobicContact CD2-CD2 4.13Å; W531-L550 CarbonylContact C-O 3.59Å; W531-L550 WeakPolarHBondContact CA-O 3.3Å; F532-L550 HydrophobicContact CB-CB 4.34Å; F532-L550 HydrophobicContact CB-CD2 4.46Å; F532-L550 PolarHBondContact N-O 3Å; F532-L550 PolarHBondContact O-N 3.24Å; I534-L550 HydrophobicContact CD1-CB 4.28Å; I534-L550 HydrophobicContact CG1-CB 4.46Å; I534-L550 HydrophobicContact CG2-CB 4.29Å; I534-L550 HydrophobicContact CG2-CD2 4.18Å; L550-L552 HydrophobicContact CD1-CD2 3.74Å; L550-L552 HydrophobicContact CD1-CG 4.42Å; L550-L552 HydrophobicContact CD2-CD1 4.2Å; L550-L552 HydrophobicContact CD2-CD2 4Å; L550-L552 HydrophobicContact CD2-CG 4.06Å; L550-L552 HydrophobicContact CG-CD2 3.88Å; L550-L552 HydrophobicContact CG-CG 4.01Å; L550-F571 HydrophobicContact CD1-CD2 4Å; L550-R572 WeakPolarHBondContact CA-O 3.49Å; L550-L573 HydrophobicContact CB-CD2 4.12Å; L550-L573 HydrophobicContact CD1-CD2 3.55Å; L550-L573 HydrophobicContact CD1-CG 4.45Å; L550-L573 HydrophobicContact CG-CD2 4.44Å
551	E	83.8	Confident	67.1	Low	35 Å²	35	41.1 Å²	41.1	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	169.6	165.9	172.7	-118	0	0	108.4	W531 F571 R572 F589	W531-E551 WeakPolarHBondContact CZ2-OE1 3.46Å; W531-E551 VanDerWaalsContact NE1-CD 3.34Å; W531-E551 VanDerWaalsContact NE1-CG 3.35Å; W531-E551 PolarHBondContact NE1-OE1 3.43Å; E551-F571 CarbonylContact O-C 3.58Å; E551-F571 WeakPolarHBondContact O-CA 3.35Å; E551-R572 HydrophobicContact CB-CB 4.19Å; E551-R572 PolarHBondContact N-O 3.28Å; E551-R572 PolarHBondContact O-N 2.89Å; E551-R572 VanDerWaalsContact OE2-CD 3.28Å; E551-R572 WeakPolarHBondContact OE2-CD 3.38Å; E551-R572 IonicContact OE2-CZ 2.91Å; E551-R572 IonicContact OE2-NE 3.77Å; E551-R572 IonicContact OE2-NH1 2.65Å; E551-R572 PolarHBondContact OE2-NH1 2.81Å; E551-F589 HydrophobicContact CB-CE1 3.99Å; E551-F589 HydrophobicContact CB-CE2 4.16Å; E551-F589 HydrophobicContact CB-CZ 3.6Å
552	L	82.6	Confident	65.6	Low	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.3	174.6	-60.7	-177	0	0	0	110	Y473 F503 D530 F532 L550 M569 F571	Y473-L552 HydrophobicContact CD1-CD1 4.08Å; Y473-L552 HydrophobicContact CD2-CD1 3.67Å; Y473-L552 HydrophobicContact CE1-CB 4.25Å; Y473-L552 HydrophobicContact CE1-CD1 4.32Å; Y473-L552 HydrophobicContact CE2-CB 4.49Å; Y473-L552 HydrophobicContact CE2-CD1 3.92Å; Y473-L552 HydrophobicContact CG-CD1 3.77Å; F503-L552 HydrophobicContact CE1-CD1 3.98Å; F503-L552 HydrophobicContact CE1-CD2 4.36Å; F503-L552 HydrophobicContact CZ-CD1 4.41Å; F503-L552 HydrophobicContact CZ-CD2 4.04Å; D530-L552 HydrophobicContact CB-CB 4.46Å; D530-L552 WeakPolarHBondContact CB-O 3.45Å; D530-L552 PolarHBondContact O-N 3.17Å; F532-L552 HydrophobicContact CD2-CD1 4.08Å; F532-L552 HydrophobicContact CD2-CG 4.29Å; F532-L552 HydrophobicContact CE2-CD1 3.83Å; F532-L552 HydrophobicContact CE2-CG 4.29Å; L550-L552 HydrophobicContact CD1-CD2 3.74Å; L550-L552 HydrophobicContact CD1-CG 4.42Å; L550-L552 HydrophobicContact CD2-CD1 4.2Å; L550-L552 HydrophobicContact CD2-CD2 4Å; L550-L552 HydrophobicContact CD2-CG 4.06Å; L550-L552 HydrophobicContact CG-CD2 3.88Å; L550-L552 HydrophobicContact CG-CG 4.01Å; L552-M569 HydrophobicContact CB-SD 4.1Å; L552-M569 HydrophobicContact CD1-SD 4.21Å; L552-M569 HydrophobicContact CD2-CE 3.91Å; L552-M569 HydrophobicContact CD2-SD 3.82Å; L552-M569 HydrophobicContact CG-SD 4.26Å; L552-F571 HydrophobicContact CD2-CB 3.75Å
553	F	74.2	Confident	64.2	Low	96 Å²	96	48 Å²	48	42%	0.421	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.1	177	-167	-101.2	0	0	0	111.3	E570 Y783	F553-E570 HydrophobicContact CB-CB 4.2Å; F553-E570 PolarHBondContact N-O 2.04Å; F553-E570 PolarHBondContact O-N 2.95Å; F553-Y783 AromaticContact CD1-CD1 3.66Å; F553-Y783 HydrophobicContact CD1-CD1 3.66Å; F553-Y783 HydrophobicContact CD1-CE1 4.08Å; F553-Y783 AromaticContact CE1-CD1 3.76Å; F553-Y783 HydrophobicContact CE1-CD1 3.76Å
554	Q	66.2	Low	62.8	Low	20 Å²	20	50.6 Å²	50.6	9%	0.093	26%	0.259	C	S	.	.			trans	-111.2	145.4	173.7	-83.2	-177	-10.5	0	0	110.6	N472 Y473 R564 T566 M569	N472-Q554 PolarHBondContact ND2-OE1 2.99Å; N472-Q554 PolarHBondContact O-NE2 3Å; N472-Q554 VanDerWaalsContact O-NE2 3.1Å; Y473-Q554 HydrophobicContact CD1-CG 4.38Å; Y473-Q554 HydrophobicContact CE1-CG 3.85Å; Q554-R564 PolarHBondContact OE1-O 2.91Å; Q554-T566 VanDerWaalsContact CG-OG1 3.3Å; Q554-T566 WeakPolarHBondContact CG-OG1 3.42Å; Q554-M569 HydrophobicContact CG-CB 4.04Å; Q554-M569 HydrophobicContact CG-CG 4.11Å; Q554-M569 HydrophobicContact CG-SD 4.4Å
555	S	55.3	Low	61.9	Low	9 Å²	9	51.7 Å²	51.7	6%	0.063	27%	0.265	C	S	.	.	S	Bend	trans	-68.2	134.6	-175.4	55.2	0	0	0	0	113.8	T566 S781 A782	S555-T566 WeakPolarHBondContact O-CG2 3.41Å; S555-T566 WeakPolarHBondContact OG-CG2 3.37Å; S555-S781 WeakPolarHBondContact OG-CA 3.42Å; S555-S781 WeakPolarHBondContact OG-CB 3.21Å; S555-A782 VanDerWaalsContact CB-C 3.45Å; S555-A782 VanDerWaalsContact CB-N 3.32Å; S555-A782 WeakPolarHBondContact CB-O 3.29Å; S555-A782 PolarHBondContact OG-N 2.66Å
556	G	47.8	Very low	61.3	Low	52 Å²	52	51.3 Å²	51.3	54%	0.536	26%	0.263	S	S	.	.	S	Bend	trans	129	157.7	163.7	0	0	0	0	0	115.5	R558 R564	G556-R558 PolarHBondContact O-N 2.69Å; G556-R564 PolarHBondContact O-NH1 3.17Å
557	I	40.6	Very low	61.3	Low	72 Å²	72	52 Å²	52	37%	0.369	27%	0.268	S	S	.	.			trans	-83.8	105.5	-174.1	-60.4	166.9	0	0	0	113.8	R559 R564 I893	I557-R559 PolarHBondContact O-N 3.14Å; I557-R564 VanDerWaalsContact C-NH2 3.31Å; I557-R564 VanDerWaalsContact O-CZ 3.24Å; I557-R564 PolarHBondContact O-NH1 2.81Å; I557-R564 PolarHBondContact O-NH2 3.2Å; I557-I893 HydrophobicContact CD1-CG2 4.33Å
558	R	46.9	Very low	61.2	Low	125 Å²	125	51.6 Å²	51.6	47%	0.472	27%	0.265	S	S	.	.			trans	-23.5	76.6	176.8	-67.4	179.5	171.8	173.9	-1	118.4	G556	G556-R558 PolarHBondContact O-N 2.69Å
559	R	35.6	Very low	61	Low	162 Å²	162	51.2 Å²	51.2	61%	0.611	26%	0.263	S	S	*	.	S	Bend	trans	-104.9	-25.3	170.3	-75.7	-167	176.4	154.3	6.3	115	I557 Q894	I557-R559 PolarHBondContact O-N 3.14Å; R559-Q894 VanDerWaalsContact CZ-OE1 3.23Å
560	S	40.8	Very low	60.8	Low	56 Å²	56	51.7 Å²	51.7	39%	0.392	27%	0.265	S	S	.	.			trans	-164	137.5	163.8	52.8	0	0	0	0	107.8	D562 S563	S560-D562 VanDerWaalsContact C-N 3.29Å; S560-S563 PolarHBondContact OG-OG 2.83Å
561	L	43.9	Very low	60.6	Low	76 Å²	76	51.9 Å²	51.9	40%	0.398	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-70.4	-28.2	-180	-108.8	80.7	0	0	0	112	K470 S563	K470-L561 HydrophobicContact CD-CD2 3.6Å; K470-L561 VanDerWaalsContact CE-CD2 3.49Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 3.08Å
562	D	42.7	Very low	60.3	Low	160 Å²	160	52 Å²	52	86%	0.856	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-80.3	-1.5	-168.1	-53.9	-37.6	0	0	0	114.6	S560	S560-D562 VanDerWaalsContact C-N 3.29Å
563	S	44.2	Very low	60.1	Low	70 Å²	70	52.1 Å²	52.1	49%	0.49	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-123.4	14.8	-170.8	60.5	0	0	0	0	115.6	S560 L561	S560-S563 PolarHBondContact OG-OG 2.83Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 3.08Å
564	R	51.7	Low	60.2	Low	64 Å²	64	47.6 Å²	47.6	24%	0.242	25%	0.246	C	C	.	.			trans	-115.7	89.7	-174.8	-67	178.5	-171.6	-150.2	-15	112.5	N472 Q554 G556 I557	N472-R564 WeakPolarHBondContact CB-O 3.4Å; Q554-R564 PolarHBondContact OE1-O 2.91Å; G556-R564 PolarHBondContact O-NH1 3.17Å; I557-R564 VanDerWaalsContact C-NH2 3.31Å; I557-R564 VanDerWaalsContact O-CZ 3.24Å; I557-R564 PolarHBondContact O-NH1 2.81Å; I557-R564 PolarHBondContact O-NH2 3.2Å
565	N	55.1	Low	60.4	Low	46 Å²	46	49.8 Å²	49.8	25%	0.246	26%	0.256	C	S	.	.			trans	-89.7	104.9	156.8	-96.7	-11.2	0	0	0	108	R611 D624 P625	N565-R611 PolarHBondContact ND2-NH1 2.76Å; N565-R611 PolarHBondContact OD1-NH1 2.66Å; N565-D624 PolarHBondContact ND2-OD1 3.17Å; N565-P625 HydrophobicContact CB-CG 4.13Å
566	T	62.7	Low	61.4	Low	5 Å²	5	49.8 Å²	49.8	3%	0.031	26%	0.256	C	S	.	.			trans	-99.1	134.6	162.5	58.5	0	0	0	0	107.7	W477 Q554 S555 A568 V627	W477-T566 WeakPolarHBondContact CH2-O 3.42Å; Q554-T566 VanDerWaalsContact CG-OG1 3.3Å; Q554-T566 WeakPolarHBondContact CG-OG1 3.42Å; S555-T566 WeakPolarHBondContact O-CG2 3.41Å; S555-T566 WeakPolarHBondContact OG-CG2 3.37Å; T566-A568 WeakPolarHBondContact CB-O 3.41Å; T566-A568 PolarHBondContact O-N 3.49Å; T566-A568 PolarHBondContact OG1-O 3.49Å; T566-V627 HydrophobicContact CG2-CG2 4.11Å
567	N	76.1	Confident	62.7	Low	24 Å²	24	50.6 Å²	50.6	13%	0.128	25%	0.245	C	C	.	.	S	Bend	trans	-75.6	-1.3	-178	-71.7	-26.3	0	0	0	113.2	V610 R611 I613 L780	N567-V610 CarbonylContact O-C 3.39Å; N567-V610 WeakPolarHBondContact O-CA 3.5Å; N567-V610 WeakPolarHBondContact O-CG1 3.47Å; N567-R611 PolarHBondContact O-N 2.92Å; N567-I613 HydrophobicContact CB-CD1 3.9Å; N567-I613 HydrophobicContact CB-CG1 4.33Å; N567-L780 HydrophobicContact CB-CB 4.31Å; N567-L780 HydrophobicContact CB-CD2 4.07Å; N567-L780 PolarHBondContact N-O 2.87Å
568	A	78.7	Confident	64	Low	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.6	167.9	0	0	0	0	0	111.1	T566 I608 L609 L780 S781 Y783	T566-A568 WeakPolarHBondContact CB-O 3.41Å; T566-A568 PolarHBondContact O-N 3.49Å; T566-A568 PolarHBondContact OG1-O 3.49Å; A568-I608 HydrophobicContact CB-CG2 4.11Å; A568-L609 CarbonylContact C-O 3.22Å; A568-L609 WeakPolarHBondContact CA-O 3.09Å; A568-L609 WeakPolarHBondContact CB-O 3.49Å; A568-L780 HydrophobicContact CB-CB 4.46Å; A568-S781 WeakPolarHBondContact CB-OG 3.47Å; A568-Y783 VanDerWaalsContact C-OH 3.27Å; A568-Y783 PolarHBondContact O-OH 2.81Å
569	M	80.9	Confident	65	Low	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136	-179.4	171	172.4	69.9	0	0	109.2	Y473 W477 F503 L552 Q554 I608 L609 Y783	Y473-M569 HydrophobicContact CD1-SD 3.5Å; Y473-M569 VanDerWaalsContact CD1-SD 3.5Å; Y473-M569 HydrophobicContact CE1-SD 3.85Å; Y473-M569 HydrophobicContact CG-SD 4.41Å; W477-M569 HydrophobicContact CD2-CE 4.2Å; W477-M569 HydrophobicContact CE3-CB 4.38Å; W477-M569 HydrophobicContact CH2-CB 4.12Å; W477-M569 HydrophobicContact CZ2-CE 4.49Å; W477-M569 HydrophobicContact CZ3-CB 3.91Å; F503-M569 HydrophobicContact CE2-CE 3.97Å; F503-M569 HydrophobicContact CZ-CE 4.2Å; L552-M569 HydrophobicContact CB-SD 4.1Å; L552-M569 HydrophobicContact CD1-SD 4.21Å; L552-M569 HydrophobicContact CD2-CE 3.91Å; L552-M569 HydrophobicContact CD2-SD 3.82Å; L552-M569 HydrophobicContact CG-SD 4.26Å; Q554-M569 HydrophobicContact CG-CB 4.04Å; Q554-M569 HydrophobicContact CG-CG 4.11Å; Q554-M569 HydrophobicContact CG-SD 4.4Å; M569-I608 CarbonylContact O-C 3.52Å; M569-I608 WeakPolarHBondContact O-CA 3.42Å; M569-L609 HydrophobicContact CE-CD1 3.91Å; M569-L609 PolarHBondContact N-O 2.88Å; M569-L609 PolarHBondContact O-N 2.87Å; M569-Y783 WeakPolarHBondContact CA-OH 3.4Å; M569-Y783 PolarHBondContact N-OH 2.84Å
570	E	79.4	Confident	66.2	Low	10 Å²	10	39 Å²	39	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.5	168.2	179.5	-177.1	164.6	0	0	108.8	F553 A606 L607 Y783 R838	F553-E570 HydrophobicContact CB-CB 4.2Å; F553-E570 PolarHBondContact N-O 2.04Å; F553-E570 PolarHBondContact O-N 2.95Å; E570-A606 VanDerWaalsContact CD-CB 3.47Å; E570-A606 HydrophobicContact CG-CB 3.39Å; E570-A606 WeakPolarHBondContact OE1-CB 3.35Å; E570-L607 CarbonylContact C-O 3.57Å; E570-L607 WeakPolarHBondContact CA-O 3.27Å; E570-Y783 HydrophobicContact CB-CE1 4.35Å; E570-Y783 PolarHBondContact N-OH 2.78Å; E570-R838 IonicContact OE1-NH1 2.87Å
571	F	82.8	Confident	67.5	Low	5 Å²	5	38.3 Å²	38.3	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.9	175.2	90.6	-73.4	0	0	0	112.8	L479 W498 L501 L550 E551 L552 L573 L607 L609	L479-F571 HydrophobicContact CD1-CE1 4.37Å; W498-F571 HydrophobicContact CH2-CZ 4.01Å; W498-F571 HydrophobicContact CZ3-CE1 4.42Å; W498-F571 AromaticContact CZ3-CZ 3.78Å; W498-F571 HydrophobicContact CZ3-CZ 3.78Å; L501-F571 HydrophobicContact CD2-CE2 4.3Å; L501-F571 HydrophobicContact CD2-CZ 4.46Å; L550-F571 HydrophobicContact CD1-CD2 4Å; E551-F571 CarbonylContact O-C 3.58Å; E551-F571 WeakPolarHBondContact O-CA 3.35Å; L552-F571 HydrophobicContact CD2-CB 3.75Å; F571-L573 HydrophobicContact CD2-CG 4.29Å; F571-L573 HydrophobicContact CE2-CD1 4.03Å; F571-L573 HydrophobicContact CE2-CG 4.01Å; F571-L607 HydrophobicContact CD1-CB 3.9Å; F571-L607 WeakPolarHBondContact CD1-O 2.98Å; F571-L607 HydrophobicContact CE1-CB 3.49Å; F571-L607 VanDerWaalsContact CE1-CB 3.49Å; F571-L607 HydrophobicContact CE1-CD1 4.13Å; F571-L607 HydrophobicContact CE1-CG 4.46Å; F571-L607 HydrophobicContact CZ-CB 4.24Å; F571-L607 HydrophobicContact CZ-CD1 4.1Å; F571-L607 PolarHBondContact N-O 3.42Å; F571-L607 PolarHBondContact O-N 2.67Å; F571-L609 HydrophobicContact CB-CD1 4.43Å; F571-L609 HydrophobicContact CD1-CD1 3.5Å; F571-L609 HydrophobicContact CD1-CD2 4.16Å; F571-L609 HydrophobicContact CD1-CG 3.47Å; F571-L609 VanDerWaalsContact CD1-CG 3.47Å; F571-L609 HydrophobicContact CE1-CD1 3.8Å; F571-L609 HydrophobicContact CE1-CD2 3.74Å; F571-L609 HydrophobicContact CE1-CG 3.6Å; F571-L609 HydrophobicContact CG-CD1 3.95Å; F571-L609 HydrophobicContact CG-CG 4.39Å
572	R	78.1	Confident	68.9	Low	37 Å²	37	39.7 Å²	39.7	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.5	175.2	-72.5	171.6	70.1	-157	16	110.6	L550 E551 F589 A606	L550-R572 WeakPolarHBondContact CA-O 3.49Å; E551-R572 HydrophobicContact CB-CB 4.19Å; E551-R572 PolarHBondContact N-O 3.28Å; E551-R572 PolarHBondContact O-N 2.89Å; E551-R572 VanDerWaalsContact OE2-CD 3.28Å; E551-R572 WeakPolarHBondContact OE2-CD 3.38Å; E551-R572 IonicContact OE2-CZ 2.91Å; E551-R572 IonicContact OE2-NE 3.77Å; E551-R572 IonicContact OE2-NH1 2.65Å; E551-R572 PolarHBondContact OE2-NH1 2.81Å; R572-F589 HydrophobicContact CB-CD1 3.99Å; R572-F589 HydrophobicContact CB-CE1 4.09Å; R572-F589 VanDerWaalsContact CZ-CB 3.47Å; R572-F589 PolarHBondContact NH2-O 3.3Å; R572-F589 VanDerWaalsContact NH2-O 3.13Å; R572-A606 HydrophobicContact CG-CB 3.69Å
573	L	79.4	Confident	70.3	Confident	6 Å²	6	34 Å²	34	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.9	173.6	-65.4	170	0	0	0	108.8	F510 I534 I548 C549 L550 F571 F594	F510-L573 HydrophobicContact CE1-CD1 3.86Å; F510-L573 HydrophobicContact CZ-CD1 3.75Å; F510-L573 HydrophobicContact CZ-CD2 4.39Å; I534-L573 HydrophobicContact CD1-CD2 4.21Å; I548-L573 HydrophobicContact CG2-CB 4.15Å; I548-L573 HydrophobicContact CG2-CD2 3.92Å; C549-L573 CarbonylContact O-C 3.59Å; C549-L573 WeakPolarHBondContact O-CA 3.24Å; L550-L573 HydrophobicContact CB-CD2 4.12Å; L550-L573 HydrophobicContact CD1-CD2 3.55Å; L550-L573 HydrophobicContact CD1-CG 4.45Å; L550-L573 HydrophobicContact CG-CD2 4.44Å; F571-L573 HydrophobicContact CD2-CG 4.29Å; F571-L573 HydrophobicContact CE2-CD1 4.03Å; F571-L573 HydrophobicContact CE2-CG 4.01Å; L573-F594 HydrophobicContact CB-CE1 4.44Å; L573-F594 HydrophobicContact CD1-CE2 4.3Å; L573-F594 HydrophobicContact CD1-CZ 4.39Å
574	S	75.7	Confident	71.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	20%	0.198	C	C	.	.			trans	-78.6	174.9	167.5	72.5	0	0	0	0	111.2	C549 L586 F594	C549-S574 WeakPolarHBondContact CB-OG 3.41Å; C549-S574 PolarHBondContact N-OG 3.12Å; C549-S574 PolarHBondContact O-N 3.45Å; S574-L586 WeakPolarHBondContact CB-O 3.42Å; S574-L586 PolarHBondContact OG-O 3.07Å; S574-F594 WeakPolarHBondContact O-CB 3.03Å
575	Q	71.1	Confident	72.7	Confident	65 Å²	65	40.7 Å²	40.7	30%	0.304	21%	0.214	S	C	.	.			trans	-60.4	143.2	164.1	-163	-177.5	12.5	0	0	110.1
576	S	75	Confident	73.7	Confident	9 Å²	9	38.6 Å²	38.6	6%	0.063	20%	0.203	C	C	.	.			trans	-59.6	137.8	166.9	50.9	0	0	0	0	109.9	E298	E298-S576 PolarHBondContact OE1-OG 2.04Å
577	K	74.3	Confident	74.5	Confident	70 Å²	70	39 Å²	39	30%	0.304	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.9	170.3	-61	-69.7	171.9	-169.7	0	109.6	R546 D547 S581 L586	R546-K577 CarbonylContact C-O 3.59Å; R546-K577 VanDerWaalsContact CA-O 3.27Å; R546-K577 WeakPolarHBondContact CA-O 3.31Å; D547-K577 PolarHBondContact N-O 3.08Å; D547-K577 PolarHBondContact O-N 2.91Å; K577-S581 WeakPolarHBondContact CB-OG 3.5Å; K577-L586 HydrophobicContact CB-CD1 3.79Å; K577-L586 HydrophobicContact CG-CD1 3.9Å
578	K	69.3	Low	74.4	Confident	18 Å²	18	41 Å²	41	8%	0.078	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	148.4	171.1	-60	-159.3	-179.6	-177.5	0	110.6	E291 E301 G580 S581	E291-K578 WeakPolarHBondContact OE2-CE 3.22Å; E291-K578 IonicContact OE2-NZ 2.67Å; E291-K578 PolarHBondContact OE2-NZ 3.2Å; E301-K578 VanDerWaalsContact OE1-CD 3.29Å; E301-K578 WeakPolarHBondContact OE1-CD 3.48Å; E301-K578 WeakPolarHBondContact OE1-CE 3.3Å; E301-K578 IonicContact OE1-NZ 3.79Å; E301-K578 PolarHBondContact OE1-NZ 3.37Å; E301-K578 VanDerWaalsContact OE2-CE 3.31Å; E301-K578 WeakPolarHBondContact OE2-CE 3.32Å; E301-K578 IonicContact OE2-NZ 3.85Å; K578-G580 PolarHBondContact O-N 3.49Å; K578-S581 WeakPolarHBondContact O-CB 3.07Å; K578-S581 PolarHBondContact O-N 3.3Å; K578-S581 PolarHBondContact O-OG 3.44Å
579	Y	67.8	Low	74	Confident	58 Å²	58	41.5 Å²	41.5	23%	0.227	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	139.2	166.8	170.3	-132.4	0	0	0	111.8	I426 F447 R535 P545 S581	I426-Y579 HydrophobicContact CG1-CD1 4.49Å; I426-Y579 HydrophobicContact CG2-CE1 4.37Å; F447-Y579 HydrophobicContact CD2-CE2 4.36Å; F447-Y579 WeakPolarHBondContact CD2-OH 3.17Å; F447-Y579 HydrophobicContact CE2-CE2 4.29Å; F447-Y579 WeakPolarHBondContact CG-OH 3.38Å; R535-Y579 VanDerWaalsContact NH1-CE2 3.26Å; P545-Y579 WeakPolarHBondContact O-CB 3.25Å; P545-Y579 PolarHBondContact O-N 3.44Å; Y579-S581 VanDerWaalsContact C-N 3.34Å
580	G	61.6	Low	72.9	Confident	39 Å²	39	48.7 Å²	48.7	40%	0.402	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-5.2	177.2	0	0	0	0	0	114	K578	K578-G580 PolarHBondContact O-N 3.49Å
581	S	67.4	Low	71.5	Confident	42 Å²	42	49.8 Å²	49.8	29%	0.294	26%	0.261	S	S	.	.			trans	-60.2	137.6	173.5	-63.7	0	0	0	0	111.7	K577 K578 Y579 V583	K577-S581 WeakPolarHBondContact CB-OG 3.5Å; K578-S581 WeakPolarHBondContact O-CB 3.07Å; K578-S581 PolarHBondContact O-N 3.3Å; K578-S581 PolarHBondContact O-OG 3.44Å; Y579-S581 VanDerWaalsContact C-N 3.34Å; S581-V583 PolarHBondContact O-N 3.07Å
582	N	72	Confident	69.7	Low	104 Å²	104	56.4 Å²	56.4	56%	0.556	29%	0.292	S	S	*	.			trans	-58.8	133.3	178.5	178.4	-47.6	0	0	0	110.7	K584 T585 L586	N582-K584 PolarHBondContact O-N 2.87Å; N582-K584 VanDerWaalsContact O-N 3.13Å; N582-K584 WeakPolarHBondContact OD1-CB 3.39Å; N582-K584 PolarHBondContact OD1-N 2.96Å; N582-T585 WeakPolarHBondContact CB-OG1 3.39Å; N582-T585 PolarHBondContact O-N 3.01Å; N582-T585 PolarHBondContact O-OG1 3.48Å; N582-L586 PolarHBondContact O-N 3.2Å
583	V	72.3	Confident	67.9	Low	42 Å²	42	57 Å²	57	26%	0.255	30%	0.302	S	S	.	.	H	α-helix	trans	-52.5	-36.6	-176.4	-178.4	0	0	0	0	113	V524 I533 S581 L586 C587	V524-V583 HydrophobicContact CG1-CG1 3.91Å; V524-V583 HydrophobicContact CG2-CG1 4.26Å; I533-V583 HydrophobicContact CD1-CG1 4.35Å; I533-V583 HydrophobicContact CD1-CG2 3.94Å; S581-V583 PolarHBondContact O-N 3.07Å; V583-L586 PolarHBondContact O-N 3.47Å; V583-C587 VanDerWaalsContact O-CB 3.27Å; V583-C587 WeakPolarHBondContact O-CB 3.47Å; V583-C587 PolarHBondContact O-N 3.37Å
584	K	73.4	Confident	66.1	Low	181 Å²	181	57.8 Å²	57.8	79%	0.787	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-40.5	177.9	-71.9	-174.7	178.7	178.7	0	112.6	N582	N582-K584 PolarHBondContact O-N 2.87Å; N582-K584 VanDerWaalsContact O-N 3.13Å; N582-K584 WeakPolarHBondContact OD1-CB 3.39Å; N582-K584 PolarHBondContact OD1-N 2.96Å
585	T	73.4	Confident	64.4	Low	92 Å²	92	58.8 Å²	58.8	56%	0.564	31%	0.312	S	S	*	.	H	α-helix	trans	-74.1	-38.7	176.7	8.5	0	0	0	0	111.6	N582	N582-T585 WeakPolarHBondContact CB-OG1 3.39Å; N582-T585 PolarHBondContact O-N 3.01Å; N582-T585 PolarHBondContact O-OG1 3.48Å
586	L	76.7	Confident	62.9	Low	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-52.1	177	176	67.1	0	0	0	110.7	I533 D547 C549 S574 K577 N582 V583 N588	I533-L586 HydrophobicContact CD1-CD2 4.09Å; I533-L586 HydrophobicContact CG1-CD2 4.05Å; I533-L586 HydrophobicContact CG2-CD2 3.95Å; D547-L586 HydrophobicContact CB-CD1 4.12Å; D547-L586 HydrophobicContact CB-CD2 3.91Å; D547-L586 WeakPolarHBondContact O-CD1 3.03Å; C549-L586 HydrophobicContact CB-CG 4.21Å; S574-L586 WeakPolarHBondContact CB-O 3.42Å; S574-L586 PolarHBondContact OG-O 3.07Å; K577-L586 HydrophobicContact CB-CD1 3.79Å; K577-L586 HydrophobicContact CG-CD1 3.9Å; N582-L586 PolarHBondContact O-N 3.2Å; V583-L586 PolarHBondContact O-N 3.47Å; L586-N588 PolarHBondContact O-N 3.11Å
587	C	78.9	Confident	61.2	Low	12 Å²	12	57.1 Å²	57.1	8%	0.081	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	39.7	-179.7	-60.2	0	0	0	0	112.8	W531 C549 V583 F589	W531-C587 HydrophobicContact CE3-CB 3.92Å; W531-C587 HydrophobicContact CZ3-CB 3.66Å; C549-C587 HydrophobicContact CB-CB 3.73Å; C549-C587 WeakPolarHBondContact CB-SG 3.33Å; C549-C587 WeakPolarHBondContact SG-CB 2.89Å; C549-C587 CovalentContact SG-SG 2.04Å; C549-C587 PolarHBondContact SG-SG 3.11Å; V583-C587 VanDerWaalsContact O-CB 3.27Å; V583-C587 WeakPolarHBondContact O-CB 3.47Å; V583-C587 PolarHBondContact O-N 3.37Å; C587-F589 HydrophobicContact CB-CE2 4.18Å
588	N	75.1	Confident	59.6	Low	68 Å²	68	57.4 Å²	57.4	36%	0.364	31%	0.309	S	S	.	.			trans	-92.4	108.7	168.5	-174	-4.5	0	0	0	109.4	L586 E590 S591	L586-N588 PolarHBondContact O-N 3.11Å; N588-E590 WeakPolarHBondContact OD1-CB 3.49Å; N588-E590 PolarHBondContact OD1-N 3.41Å; N588-S591 PolarHBondContact O-OG 3.04Å
589	F	68.9	Low	58	Low	9 Å²	9	60.4 Å²	60.4	4%	0.039	32%	0.322	C	S	.	.			trans	-97.3	4.1	178.2	-56	-88.6	0	0	0	113.4	W531 C549 E551 R572 C587	W531-F589 HydrophobicContact CD2-CE2 4.24Å; W531-F589 AromaticContact CE2-CE2 3.98Å; W531-F589 HydrophobicContact CE3-CE2 4.21Å; W531-F589 HydrophobicContact CH2-CD2 4.01Å; W531-F589 AromaticContact CH2-CE2 3.69Å; W531-F589 HydrophobicContact CH2-CE2 3.69Å; W531-F589 HydrophobicContact CZ2-CD2 4.11Å; W531-F589 AromaticContact CZ2-CE2 3.71Å; W531-F589 HydrophobicContact CZ2-CE2 3.71Å; W531-F589 AromaticContact CZ3-CE2 3.96Å; W531-F589 HydrophobicContact CZ3-CE2 3.96Å; C549-F589 HydrophobicContact CB-CE1 4.5Å; C549-F589 HydrophobicContact CB-CZ 3.96Å; E551-F589 HydrophobicContact CB-CE1 3.99Å; E551-F589 HydrophobicContact CB-CE2 4.16Å; E551-F589 HydrophobicContact CB-CZ 3.6Å; R572-F589 HydrophobicContact CB-CD1 3.99Å; R572-F589 HydrophobicContact CB-CE1 4.09Å; R572-F589 VanDerWaalsContact CZ-CB 3.47Å; R572-F589 PolarHBondContact NH2-O 3.3Å; R572-F589 VanDerWaalsContact NH2-O 3.13Å; C587-F589 HydrophobicContact CB-CE2 4.18Å
590	E	57.9	Low	56.5	Low	152 Å²	152	61.4 Å²	61.4	71%	0.71	34%	0.342	S	S	*	.			trans	-84.9	-20.1	175.4	-60.3	-172.1	164.8	0	0	112.3	N588 Q592	N588-E590 WeakPolarHBondContact OD1-CB 3.49Å; N588-E590 PolarHBondContact OD1-N 3.41Å; E590-Q592 PolarHBondContact O-N 3.12Å
591	S	49.5	Very low	55.6	Low	33 Å²	33	62.2 Å²	62.2	23%	0.231	34%	0.335	C	S	.	.	S	Bend	trans	-63.2	124.2	174	54	0	0	0	0	109.6	N588 S593 S603	N588-S591 PolarHBondContact O-OG 3.04Å; S591-S593 PolarHBondContact O-N 2.62Å; S591-S603 WeakPolarHBondContact O-CB 3.46Å; S591-S603 PolarHBondContact O-OG 3.02Å
592	Q	45.9	Very low	54.3	Low	143 Å²	143	67.8 Å²	67.8	67%	0.668	35%	0.354	S	S	*	.	S	Bend	trans	-69.9	1.5	-168.2	-67	-175.3	3.5	0	0	115.1	E590 K602 S603	E590-Q592 PolarHBondContact O-N 3.12Å; Q592-K602 CarbonylContact O-C 3.48Å; Q592-K602 WeakPolarHBondContact O-CA 3.48Å; Q592-S603 PolarHBondContact O-N 2.87Å
593	S	40	Very low	52.9	Low	51 Å²	51	63 Å²	63	36%	0.357	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	130	-175.4	54.8	0	0	0	0	114.3	S591 K601	S591-S593 PolarHBondContact O-N 2.62Å; S593-K601 VanDerWaalsContact CA-O 3.31Å; S593-K601 WeakPolarHBondContact CA-O 3.43Å
594	F	42.4	Very low	51.8	Low	21 Å²	21	62.6 Å²	62.6	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.2	157.4	73.4	-95.9	0	0	0	109.1	L573 S574 L596 K601	L573-F594 HydrophobicContact CB-CE1 4.44Å; L573-F594 HydrophobicContact CD1-CE2 4.3Å; L573-F594 HydrophobicContact CD1-CZ 4.39Å; S574-F594 WeakPolarHBondContact O-CB 3.03Å; F594-L596 HydrophobicContact CD2-CB 3.94Å; F594-L596 HydrophobicContact CE2-CB 3.71Å; F594-K601 HydrophobicContact CE1-CB 4.38Å; F594-K601 HydrophobicContact CZ-CB 4.32Å; F594-K601 HydrophobicContact CZ-CD 4.44Å; F594-K601 PolarHBondContact N-O 3.49Å; F594-K601 PolarHBondContact O-N 2.81Å; F594-K601 VanDerWaalsContact O-N 3.12Å
595	S	38.8	Very low	51	Low	23 Å²	23	56.2 Å²	56.2	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.7	174.1	177.6	0	0	0	0	108.7	I296	I296-S595 PolarHBondContact O-OG 3.04Å
596	L	41.2	Very low	50.8	Low	8 Å²	8	52.5 Å²	52.5	4%	0.042	28%	0.281	C	S	.	.	S	Bend	trans	-134.8	106.1	167.7	-161.7	85.3	0	0	0	107.7	F510 Y518 F594	F510-L596 HydrophobicContact CD1-CD2 4.02Å; F510-L596 HydrophobicContact CE1-CD2 4.18Å; Y518-L596 WeakPolarHBondContact OH-CD1 3.21Å; F594-L596 HydrophobicContact CD2-CB 3.94Å; F594-L596 HydrophobicContact CE2-CB 3.71Å
597	N	39.1	Very low	50.9	Low	31 Å²	31	54.2 Å²	54.2	17%	0.166	29%	0.289	C	S	.	.	S	Bend	trans	66	60.3	-174.8	-59.1	-4.1	0	0	0	113.9	K516 K599	K516-N597 WeakPolarHBondContact CE-OD1 3.47Å; K516-N597 PolarHBondContact NZ-OD1 3.39Å; N597-K599 VanDerWaalsContact C-N 3.25Å; N597-K599 PolarHBondContact O-N 3.32Å; N597-K599 VanDerWaalsContact O-N 3.17Å
598	N	40.6	Very low	51	Low	75 Å²	75	53.9 Å²	53.9	40%	0.401	29%	0.287	S	S	.	.	S	Bend	trans	69.9	17	161.8	-47.2	4.8	0	0	0	114.8	I296	I296-N598 WeakPolarHBondContact CB-OD1 3.37Å; I296-N598 WeakPolarHBondContact CD1-OD1 3.42Å; I296-N598 HydrophobicContact CG2-CB 4.09Å; I296-N598 VanDerWaalsContact CG2-CG 3.46Å; I296-N598 WeakPolarHBondContact CG2-OD1 3.23Å
599	K	36	Very low	51.4	Low	82 Å²	82	50.7 Å²	50.7	36%	0.357	27%	0.27	S	S	.	.			trans	-139.6	124.4	175.5	-72.1	-162.6	162	-175.6	0	111.6	S493 H494 N597 K601	S493-K599 PolarHBondContact O-NZ 3.06Å; H494-K599 VanDerWaalsContact C-NZ 3.33Å; H494-K599 HydrophobicContact CB-CD 4.26Å; H494-K599 VanDerWaalsContact CB-NZ 3.29Å; H494-K599 WeakPolarHBondContact O-CD 3.33Å; H494-K599 WeakPolarHBondContact O-CE 3.11Å; H494-K599 PolarHBondContact O-NZ 3.33Å; N597-K599 VanDerWaalsContact C-N 3.25Å; N597-K599 PolarHBondContact O-N 3.32Å; N597-K599 VanDerWaalsContact O-N 3.17Å; K599-K601 PolarHBondContact O-N 3.4Å; K599-K601 VanDerWaalsContact O-N 3.13Å
600	A	35.1	Very low	52.1	Low	78 Å²	78	50.3 Å²	50.3	65%	0.645	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	110.9	166.1	0	0	0	0	0	108.6
601	K	42.6	Very low	53.1	Low	56 Å²	56	45 Å²	45	24%	0.243	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.3	172.2	-77.1	-166	176.2	-165.2	0	109.4	W498 S593 F594 K599 S603	W498-K601 VanDerWaalsContact CE2-NZ 3.32Å; W498-K601 HydrophobicContact CZ2-CD 4.13Å; S593-K601 VanDerWaalsContact CA-O 3.31Å; S593-K601 WeakPolarHBondContact CA-O 3.43Å; F594-K601 HydrophobicContact CE1-CB 4.38Å; F594-K601 HydrophobicContact CZ-CB 4.32Å; F594-K601 HydrophobicContact CZ-CD 4.44Å; F594-K601 PolarHBondContact N-O 3.49Å; F594-K601 PolarHBondContact O-N 2.81Å; F594-K601 VanDerWaalsContact O-N 3.12Å; K599-K601 PolarHBondContact O-N 3.4Å; K599-K601 VanDerWaalsContact O-N 3.13Å; K601-S603 PolarHBondContact O-N 2.91Å
602	K	41.3	Very low	53.9	Low	160 Å²	160	47.7 Å²	47.7	70%	0.696	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	95.4	174.8	-81	-175.3	178.5	179.7	0	110.4	Q592 S604	Q592-K602 CarbonylContact O-C 3.48Å; Q592-K602 WeakPolarHBondContact O-CA 3.48Å; K602-S604 PolarHBondContact O-N 2.87Å; K602-S604 VanDerWaalsContact O-N 3.08Å
603	S	42.2	Very low	54.4	Low	3 Å²	3	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.4	-172.1	173	0	0	0	0	114.4	S591 Q592 K601	S591-S603 WeakPolarHBondContact O-CB 3.46Å; S591-S603 PolarHBondContact O-OG 3.02Å; Q592-S603 PolarHBondContact O-N 2.87Å; K601-S603 PolarHBondContact O-N 2.91Å
604	S	47.9	Very low	54.8	Low	33 Å²	33	45.7 Å²	45.7	23%	0.231	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.5	-176.2	57.5	0	0	0	0	113.7	K602	K602-S604 PolarHBondContact O-N 2.87Å; K602-S604 VanDerWaalsContact O-N 3.08Å
605	N	57.5	Low	54.7	Low	48 Å²	48	48.8 Å²	48.8	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-98.2	128.6	-169.3	-68.9	11	0	0	0	111.1	Y836 H837	N605-Y836 PolarHBondContact ND2-O 3.39Å; N605-H837 PolarHBondContact ND2-CE1 2.88Å; N605-H837 VanDerWaalsContact ND2-CE1 3.32Å; N605-H837 PolarHBondContact ND2-ND1 2.81Å; N605-H837 PolarHBondContact OD1-ND1 2.83Å
606	A	69.9	Low	54.5	Low	14 Å²	14	55.8 Å²	55.8	12%	0.116	29%	0.289	C	S	.	.			trans	-69.2	139.8	173.1	0	0	0	0	0	110.8	E570 R572	E570-A606 VanDerWaalsContact CD-CB 3.47Å; E570-A606 HydrophobicContact CG-CB 3.39Å; E570-A606 WeakPolarHBondContact OE1-CB 3.35Å; R572-A606 HydrophobicContact CG-CB 3.69Å
607	L	79.1	Confident	54.6	Low	38 Å²	38	60.1 Å²	60.1	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.9	179.7	-66	173.9	0	0	0	109.7	L479 W498 E570 F571	L479-L607 HydrophobicContact CD1-CB 4.16Å; L479-L607 HydrophobicContact CD1-CD1 4.31Å; W498-L607 HydrophobicContact CH2-CD1 3.46Å; W498-L607 VanDerWaalsContact CH2-CD1 3.46Å; W498-L607 HydrophobicContact CZ2-CD1 4.44Å; W498-L607 HydrophobicContact CZ3-CD1 4.15Å; E570-L607 CarbonylContact C-O 3.57Å; E570-L607 WeakPolarHBondContact CA-O 3.27Å; F571-L607 HydrophobicContact CD1-CB 3.9Å; F571-L607 WeakPolarHBondContact CD1-O 2.98Å; F571-L607 HydrophobicContact CE1-CB 3.49Å; F571-L607 VanDerWaalsContact CE1-CB 3.49Å; F571-L607 HydrophobicContact CE1-CD1 4.13Å; F571-L607 HydrophobicContact CE1-CG 4.46Å; F571-L607 HydrophobicContact CZ-CB 4.24Å; F571-L607 HydrophobicContact CZ-CD1 4.1Å; F571-L607 PolarHBondContact N-O 3.42Å; F571-L607 PolarHBondContact O-N 2.67Å
608	I	80.5	Confident	54.8	Low	6 Å²	6	62.1 Å²	62.1	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.3	-179.3	-65.5	-177.1	0	0	0	109.4	A568 M569 V610 Y783 I799 P832 Q833	A568-I608 HydrophobicContact CB-CG2 4.11Å; M569-I608 CarbonylContact O-C 3.52Å; M569-I608 WeakPolarHBondContact O-CA 3.42Å; I608-V610 HydrophobicContact CG2-CG2 4.44Å; I608-Y783 HydrophobicContact CD1-CE2 4.23Å; I608-I799 HydrophobicContact CD1-CD1 3.64Å; I608-I799 HydrophobicContact CD1-CG1 4.01Å; I608-I799 HydrophobicContact CG2-CG1 4.44Å; I608-P832 VanDerWaalsContact CD1-O 3.3Å; I608-P832 WeakPolarHBondContact CD1-O 3.37Å; I608-P832 HydrophobicContact CG2-CB 4.16Å; I608-Q833 PolarHBondContact O-NE2 2.88Å
609	L	84	Confident	54.8	Low	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.2	171.3	-67.3	176.3	0	0	0	109.8	W477 N478 L479 L501 F503 A568 M569 F571	W477-L609 HydrophobicContact CB-CB 4.1Å; W477-L609 HydrophobicContact CB-CD1 4.21Å; W477-L609 HydrophobicContact CE3-CB 4.03Å; N478-L609 WeakPolarHBondContact O-CA 3.41Å; L479-L609 HydrophobicContact CB-CD2 4.05Å; L479-L609 HydrophobicContact CD1-CD2 4.03Å; L501-L609 HydrophobicContact CD1-CD1 4.03Å; L501-L609 HydrophobicContact CD1-CD2 3.57Å; L501-L609 HydrophobicContact CD1-CG 4.46Å; L501-L609 HydrophobicContact CD2-CD1 4.26Å; F503-L609 HydrophobicContact CE2-CD1 4.48Å; A568-L609 CarbonylContact C-O 3.22Å; A568-L609 WeakPolarHBondContact CA-O 3.09Å; A568-L609 WeakPolarHBondContact CB-O 3.49Å; M569-L609 HydrophobicContact CE-CD1 3.91Å; M569-L609 PolarHBondContact N-O 2.88Å; M569-L609 PolarHBondContact O-N 2.87Å; F571-L609 HydrophobicContact CB-CD1 4.43Å; F571-L609 HydrophobicContact CD1-CD1 3.5Å; F571-L609 HydrophobicContact CD1-CD2 4.16Å; F571-L609 HydrophobicContact CD1-CG 3.47Å; F571-L609 VanDerWaalsContact CD1-CG 3.47Å; F571-L609 HydrophobicContact CE1-CD1 3.8Å; F571-L609 HydrophobicContact CE1-CD2 3.74Å; F571-L609 HydrophobicContact CE1-CG 3.6Å; F571-L609 HydrophobicContact CG-CD1 3.95Å; F571-L609 HydrophobicContact CG-CG 4.39Å
610	V	82.2	Confident	55.1	Low	1 Å²	1	66.3 Å²	66.3	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130	-179.3	-170.2	0	0	0	0	109.1	N478 I480 N567 I608 L780 Y808 P832	N478-V610 PolarHBondContact N-O 2.71Å; N478-V610 PolarHBondContact O-N 2.84Å; I480-V610 HydrophobicContact CD1-CB 4.09Å; I480-V610 HydrophobicContact CD1-CG2 4.06Å; N567-V610 CarbonylContact O-C 3.39Å; N567-V610 WeakPolarHBondContact O-CA 3.5Å; N567-V610 WeakPolarHBondContact O-CG1 3.47Å; I608-V610 HydrophobicContact CG2-CG2 4.44Å; V610-L780 HydrophobicContact CG1-CD1 4.06Å; V610-Y808 HydrophobicContact CG1-CD1 4.24Å; V610-Y808 HydrophobicContact CG1-CE1 3.58Å; V610-P832 HydrophobicContact CG2-CB 4.09Å; V610-P832 HydrophobicContact CG2-CG 4Å
611	R	78.7	Confident	55.5	Low	41 Å²	41	67.5 Å²	67.5	16%	0.155	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.6	176.3	-153.4	175.8	-121.1	171.3	1.3	109.1	N472 Q474 W477 N565 N567 I613	N472-R611 PolarHBondContact O-NH2 2.82Å; Q474-R611 PolarHBondContact O-NH2 3.45Å; W477-R611 HydrophobicContact CE3-CB 4.1Å; W477-R611 HydrophobicContact CH2-CB 4.35Å; W477-R611 HydrophobicContact CZ3-CB 3.94Å; N565-R611 PolarHBondContact ND2-NH1 2.76Å; N565-R611 PolarHBondContact OD1-NH1 2.66Å; N567-R611 PolarHBondContact O-N 2.92Å; R611-I613 PolarHBondContact O-N 3.01Å
612	N	66	Low	55.4	Low	89 Å²	89	74.8 Å²	74.8	48%	0.476	37%	0.372	S	S	.	.			trans	-73	94.8	180	-145	9.3	0	0	0	109.3	N478 E614	N478-N612 WeakPolarHBondContact ND2-CB 3.16Å; N478-N612 PolarHBondContact ND2-OD1 3.07Å; N478-N612 VanDerWaalsContact ND2-OD1 3.13Å; N612-E614 PolarHBondContact O-N 3.05Å
613	I	56.5	Low	55.5	Low	28 Å²	28	69.6 Å²	69.6	14%	0.144	36%	0.357	C	S	.	.			trans	-83.4	93.7	173.8	-43.3	167.4	0	0	0	105.2	N567 R611 M618 L780	N567-I613 HydrophobicContact CB-CD1 3.9Å; N567-I613 HydrophobicContact CB-CG1 4.33Å; R611-I613 PolarHBondContact O-N 3.01Å; I613-M618 HydrophobicContact CD1-CE 4.22Å; I613-M618 HydrophobicContact CG2-CE 4.17Å; I613-M618 HydrophobicContact CG2-CG 4.27Å; I613-L780 HydrophobicContact CD1-CD2 3.57Å
614	E	49.2	Very low	55.8	Low	124 Å²	124	71.7 Å²	71.7	58%	0.579	37%	0.368	S	S	*	.			trans	-55.8	140.4	168.1	-81.5	-168.2	164.1	0	0	108.9	N612 F616 Q617	N612-E614 PolarHBondContact O-N 3.05Å; E614-F616 PolarHBondContact O-N 3.42Å; E614-Q617 PolarHBondContact O-N 3.08Å
615	P	40.6	Very low	55.9	Low	87 Å²	87	73.3 Å²	73.3	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.7	-178.2	-23.4	31.5	0	0	0	114.1
616	F	34.3	Very low	55.9	Low	170 Å²	170	74.7 Å²	74.7	75%	0.746	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.5	-176.2	-70.5	-78.9	0	0	0	114.9	E614	E614-F616 PolarHBondContact O-N 3.42Å
617	Q	42.4	Very low	55.7	Low	99 Å²	99	75 Å²	75	46%	0.463	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-85.2	-16.9	176	-74.2	-178.6	-15.4	0	0	113.6	E614 L619 N620	E614-Q617 PolarHBondContact O-N 3.08Å; Q617-L619 PolarHBondContact O-N 2.8Å; Q617-N620 PolarHBondContact O-N 3.2Å
618	M	43.9	Very low	55.4	Low	73 Å²	73	78.3 Å²	78.3	36%	0.36	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-71.8	-9.6	178.8	-74	-153.2	169.6	0	0	114.4	I613 V778 Y801 I803	I613-M618 HydrophobicContact CD1-CE 4.22Å; I613-M618 HydrophobicContact CG2-CE 4.17Å; I613-M618 HydrophobicContact CG2-CG 4.27Å; M618-V778 HydrophobicContact CE-CB 4.32Å; M618-V778 HydrophobicContact CE-CG1 4.04Å; M618-V778 HydrophobicContact CE-CG2 4.3Å; M618-V778 HydrophobicContact SD-CG2 4.34Å; M618-Y801 HydrophobicContact CE-CD1 4.09Å; M618-I803 HydrophobicContact SD-CD1 4.2Å; M618-I803 HydrophobicContact SD-CG1 4.18Å
619	L	40.5	Very low	55.2	Low	150 Å²	150	78.1 Å²	78.1	79%	0.785	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-83.9	-15.6	173.2	-79.7	160	0	0	0	113.1	Q617 P621	Q617-L619 PolarHBondContact O-N 2.8Å; L619-P621 WeakPolarHBondContact O-CD 3.21Å
620	N	42.4	Very low	54.6	Low	94 Å²	94	78.6 Å²	78.6	50%	0.503	41%	0.406	S	S	.	.			trans	-108	98.4	178	-154.5	-5.3	0	0	0	109.6	Q617 Y622 S623	Q617-N620 PolarHBondContact O-N 3.2Å; N620-Y622 PolarHBondContact O-N 2.79Å; N620-S623 PolarHBondContact O-N 2.82Å; N620-S623 PolarHBondContact O-OG 2.9Å
621	P	43.1	Very low	54.1	Low	104 Å²	104	78.6 Å²	78.6	68%	0.675	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-1.3	-176.7	24.1	-32	0	0	0	114.4	L619	L619-P621 WeakPolarHBondContact O-CD 3.21Å
622	Y	40.7	Very low	53.6	Low	208 Å²	208	81.5 Å²	81.5	82%	0.816	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.6	-177.7	-69.3	-80.7	0	0	0	115.3	N620	N620-Y622 PolarHBondContact O-N 2.79Å
623	S	44	Very low	53.5	Low	52 Å²	52	80.2 Å²	80.2	36%	0.364	41%	0.408	S	S	.	.	S	Bend	trans	-83.6	-15.1	-170.9	57.4	0	0	0	0	115.6	N620	N620-S623 PolarHBondContact O-N 2.82Å; N620-S623 PolarHBondContact O-OG 2.9Å
624	D	47.5	Very low	54.1	Low	47 Å²	47	79.4 Å²	79.4	25%	0.251	40%	0.404	S	S	.	.	S	Bend	trans	-148.8	139.9	167.7	-90.2	-47.3	0	0	0	110.9	N565	N565-D624 PolarHBondContact ND2-OD1 3.17Å
625	P	50.8	Low	55.5	Low	66 Å²	66	76.1 Å²	76.1	43%	0.429	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.8	130	-176.2	22.1	-30.7	0	0	0	111.4	N565 V627	N565-P625 HydrophobicContact CB-CG 4.13Å; P625-V627 PolarHBondContact O-N 2.77Å
626	P	57.1	Low	57.7	Low	78 Å²	78	72 Å²	72	51%	0.506	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63.3	122.5	-175.1	20.7	-30.5	0	0	0	112	K628 N756	P626-K628 PolarHBondContact O-N 3.41Å; P626-N756 HydrophobicContact CB-CB 3.75Å
627	V	65.4	Low	60.3	Low	20 Å²	20	66.2 Å²	66.2	12%	0.121	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-76.9	122.1	172.7	-179.3	0	0	0	0	109.5	T566 P625	T566-V627 HydrophobicContact CG2-CG2 4.11Å; P625-V627 PolarHBondContact O-N 2.77Å
628	K	73.7	Confident	62.5	Low	108 Å²	108	62.2 Å²	62.2	47%	0.47	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-72.5	133.9	175.3	-58.8	-174.1	175.7	-174.7	0	109.6	P626 G630 F754	P626-K628 PolarHBondContact O-N 3.41Å; K628-G630 PolarHBondContact O-N 2.66Å; K628-F754 HydrophobicContact CB-CB 4.34Å; K628-F754 HydrophobicContact CB-CG 4.39Å; K628-F754 HydrophobicContact CD-CB 4.1Å; K628-F754 HydrophobicContact CD-CD2 3.47Å; K628-F754 VanDerWaalsContact CD-CD2 3.47Å; K628-F754 HydrophobicContact CD-CE2 4.08Å; K628-F754 HydrophobicContact CD-CG 3.8Å; K628-F754 VanDerWaalsContact CE-CD2 3.43Å; K628-F754 HydrophobicContact CG-CB 3.8Å; K628-F754 HydrophobicContact CG-CD2 4.15Å; K628-F754 HydrophobicContact CG-CG 3.98Å
629	C	76.6	Confident	64.5	Low	2 Å²	2	62 Å²	62	1%	0.014	33%	0.325	C	S	.	.			trans	-65.5	-18.7	178.6	-50.7	0	0	0	0	113.3	D743 K757 C779 L798	C629-D743 HydrophobicContact CB-CB 4.02Å; C629-K757 PolarHBondContact SG-O 3.49Å; C629-C779 HydrophobicContact CB-CB 4Å; C629-C779 WeakPolarHBondContact CB-SG 3.23Å; C629-C779 WeakPolarHBondContact SG-CB 3.24Å; C629-C779 CovalentContact SG-SG 2.02Å; C629-C779 PolarHBondContact SG-SG 2.75Å; C629-L798 HydrophobicContact CB-CD1 4.17Å; C629-L798 HydrophobicContact CB-CD2 4.37Å
630	G	70.6	Confident	66.8	Low	9 Å²	9	54.9 Å²	54.9	9%	0.093	29%	0.287	C	S	.	.	S	Bend	trans	82.3	14.9	172.8	0	0	0	0	0	115	K628 Y632 L891	K628-G630 PolarHBondContact O-N 2.66Å; G630-Y632 WeakPolarHBondContact O-CD2 3.33Å; G630-Y632 WeakPolarHBondContact O-CE2 3.12Å; G630-L891 WeakPolarHBondContact O-CD2 3.48Å
631	L	71.8	Confident	68.9	Low	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.276	C	S	.	.			trans	-89.1	-18.5	174	-68.9	174.1	0	0	0	112.5	M634 L636 D743 I758 L796 F813	L631-M634 WeakPolarHBondContact O-CB 3.44Å; L631-M634 WeakPolarHBondContact O-CG 3.32Å; L631-M634 PolarHBondContact O-N 2.83Å; L631-L636 HydrophobicContact CD2-CD1 3.93Å; L631-D743 WeakPolarHBondContact CA-OD2 2.95Å; L631-D743 HydrophobicContact CB-CB 4.15Å; L631-D743 PolarHBondContact N-OD2 3.08Å; L631-I758 HydrophobicContact CD1-CD1 3.41Å; L631-I758 VanDerWaalsContact CD1-CD1 3.41Å; L631-I758 HydrophobicContact CD1-CG1 4.1Å; L631-L796 HydrophobicContact CD2-CD2 4.4Å; L631-F813 HydrophobicContact CD2-CE1 4.19Å; L631-F813 HydrophobicContact CD2-CZ 4.48Å
632	Y	68.9	Low	70.8	Confident	101 Å²	101	47.8 Å²	47.8	40%	0.396	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	54.5	168	-61.6	-75	0	0	0	114.5	G630 M634 D743 F754	G630-Y632 WeakPolarHBondContact O-CD2 3.33Å; G630-Y632 WeakPolarHBondContact O-CE2 3.12Å; Y632-M634 PolarHBondContact O-N 2.91Å; Y632-D743 PolarHBondContact N-OD1 3.48Å; Y632-D743 PolarHBondContact N-OD2 2.96Å; Y632-F754 HydrophobicContact CD1-CE1 4.11Å; Y632-F754 HydrophobicContact CD1-CE2 4.35Å; Y632-F754 AromaticContact CD1-CZ 3.65Å; Y632-F754 HydrophobicContact CD1-CZ 3.65Å; Y632-F754 HydrophobicContact CE1-CZ 4.39Å; Y632-F754 HydrophobicContact CG-CZ 4.48Å
633	Q	63.1	Low	72.8	Confident	62 Å²	62	38.5 Å²	38.5	29%	0.29	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	19.6	177	-45.8	-177.5	-27.1	0	0	114	R635 D743 F744 T751 G752 F754	Q633-R635 PolarHBondContact O-N 2.87Å; Q633-D743 PolarHBondContact N-OD1 2.94Å; Q633-F744 HydrophobicContact CB-CD2 4.28Å; Q633-F744 HydrophobicContact CG-CD2 3.92Å; Q633-T751 PolarHBondContact NE2-O 3.33Å; Q633-T751 VanDerWaalsContact NE2-O 3.11Å; Q633-G752 PolarHBondContact NE2-O 3.44Å; Q633-F754 HydrophobicContact CG-CE1 4.31Å; Q633-F754 HydrophobicContact CG-CZ 4.35Å
634	M	69.3	Low	74.3	Confident	11 Å²	11	36.3 Å²	36.3	5%	0.054	19%	0.193	C	C	.	.			trans	-79.3	121.3	172	-69.8	-174.1	69.8	0	0	110.1	L631 Y632 L636 Y824 N889 L891	L631-M634 WeakPolarHBondContact O-CB 3.44Å; L631-M634 WeakPolarHBondContact O-CG 3.32Å; L631-M634 PolarHBondContact O-N 2.83Å; Y632-M634 PolarHBondContact O-N 2.91Å; M634-L636 HydrophobicContact CB-CG 4.47Å; M634-L636 HydrophobicContact CE-CD2 4.03Å; M634-Y824 HydrophobicContact CE-CE2 4.07Å; M634-N889 HydrophobicContact CE-CB 4.47Å; M634-N889 WeakPolarHBondContact CE-O 3Å; M634-L891 HydrophobicContact SD-CG 4.04Å
635	R	79.6	Confident	75.4	Confident	55 Å²	55	35.4 Å²	35.4	21%	0.208	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	114.3	161.6	-170.7	-176.1	-177.5	-155	-0.9	107.8	Q633 I637 E740 A860 C862	Q633-R635 PolarHBondContact O-N 2.87Å; R635-I637 HydrophobicContact CG-CG2 4.43Å; R635-E740 WeakPolarHBondContact CD-OE1 3.31Å; R635-E740 HydrophobicContact CG-CG 4.15Å; R635-E740 WeakPolarHBondContact CG-OE1 3.47Å; R635-E740 IonicContact CZ-OE1 3.83Å; R635-E740 IonicContact CZ-OE2 3.89Å; R635-E740 IonicContact NE-OE1 2.93Å; R635-E740 PolarHBondContact NE-OE1 2.99Å; R635-E740 IonicContact NE-OE2 2.7Å; R635-E740 PolarHBondContact NE-OE2 3.05Å; R635-E740 IonicContact NH2-OE1 2.95Å; R635-E740 IonicContact NH2-OE2 3.18Å; R635-E740 PolarHBondContact NH2-OE2 2.8Å; R635-A860 HydrophobicContact CB-CB 4.35Å; R635-A860 HydrophobicContact CG-CB 4.22Å; R635-A860 PolarHBondContact O-N 3.11Å; R635-C862 HydrophobicContact CB-CB 4.44Å
636	L	85.9	Confident	76.4	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.7	176.1	-67.2	177.7	0	0	0	108.7	L631 M634 E740 L741 F813 Y824 L857 T858	L631-L636 HydrophobicContact CD2-CD1 3.93Å; M634-L636 HydrophobicContact CB-CG 4.47Å; M634-L636 HydrophobicContact CE-CD2 4.03Å; L636-E740 CarbonylContact O-C 3.11Å; L636-E740 VanDerWaalsContact O-CA 3.3Å; L636-E740 WeakPolarHBondContact O-CA 3.44Å; L636-L741 HydrophobicContact CB-CB 4.11Å; L636-L741 PolarHBondContact N-O 2.04Å; L636-L741 PolarHBondContact O-N 2.87Å; L636-F813 HydrophobicContact CD1-CE1 4.28Å; L636-Y824 HydrophobicContact CD2-CD2 3.71Å; L636-Y824 HydrophobicContact CD2-CE2 3.75Å; L636-L857 HydrophobicContact CB-CB 4.23Å; L636-L857 HydrophobicContact CB-CD1 4.08Å; L636-L857 HydrophobicContact CB-CD2 4.41Å; L636-L857 HydrophobicContact CB-CG 4.48Å; L636-L857 HydrophobicContact CD1-CD1 3.96Å; L636-T858 WeakPolarHBondContact CA-O 3.1Å
637	I	88.4	Confident	77	Confident	47 Å²	47	31.3 Å²	31.3	24%	0.241	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.8	177.7	58.8	175.2	0	0	0	110.7	R635 I739 E740 L857 T858 A860	R635-I637 HydrophobicContact CG-CG2 4.43Å; I637-I739 WeakPolarHBondContact CA-O 3.2Å; I637-E740 HydrophobicContact CG2-CB 4.18Å; I637-E740 HydrophobicContact CG2-CG 4.01Å; I637-L857 CarbonylContact O-C 3.55Å; I637-L857 WeakPolarHBondContact O-CA 3.41Å; I637-T858 PolarHBondContact N-O 2.93Å; I637-T858 PolarHBondContact O-N 2.77Å; I637-T858 PolarHBondContact O-OG1 2.93Å; I637-T858 VanDerWaalsContact O-OG1 3.13Å; I637-A860 HydrophobicContact CD1-CB 3.68Å; I637-A860 HydrophobicContact CG1-CB 3.82Å; I637-A860 HydrophobicContact CG2-CB 4.22Å
638	G	88.9	Confident	77.1	Confident	16 Å²	16	31.6 Å²	31.6	17%	0.165	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-140.7	172.7	0	0	0	0	0	113.1	H738 I739 S856	G638-H738 WeakPolarHBondContact O-CA 3.5Å; G638-I739 PolarHBondContact N-O 2.89Å; G638-I739 PolarHBondContact O-N 2.83Å; G638-S856 VanDerWaalsContact CA-O 3.3Å; G638-S856 WeakPolarHBondContact CA-O 3.31Å
639	T	87.5	Confident	76.6	Confident	68 Å²	68	30.4 Å²	30.4	42%	0.417	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.9	-173.5	45.1	0	0	0	0	111.8	C737 I855 S856	T639-C737 CarbonylContact C-O 3.55Å; T639-C737 WeakPolarHBondContact CA-O 3.36Å; T639-I855 CarbonylContact O-C 3.36Å; T639-I855 WeakPolarHBondContact O-CA 3.46Å; T639-I855 WeakPolarHBondContact O-CG2 2.84Å; T639-S856 PolarHBondContact N-O 3.14Å; T639-S856 PolarHBondContact O-N 3.37Å
640	M	87.8	Confident	76.1	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.5	173.9	173.2	165.3	74.8	0	0	109.6	I642 S736 C737 I739 F773 A853 I855	M640-I642 HydrophobicContact CE-CD1 3.53Å; M640-I642 HydrophobicContact CE-CG1 4Å; M640-I642 HydrophobicContact CG-CD1 4.25Å; M640-I642 HydrophobicContact CG-CG1 3.67Å; M640-I642 HydrophobicContact SD-CD1 4.34Å; M640-I642 HydrophobicContact SD-CG1 4.17Å; M640-S736 CarbonylContact O-C 3.59Å; M640-S736 WeakPolarHBondContact O-CA 3.3Å; M640-C737 PolarHBondContact N-O 2.81Å; M640-C737 PolarHBondContact O-N 3.04Å; M640-I739 HydrophobicContact CB-CB 4.09Å; M640-I739 HydrophobicContact CB-CD1 4.03Å; M640-I739 HydrophobicContact CB-CG2 3.92Å; M640-I739 HydrophobicContact CE-CD1 4Å; M640-I739 HydrophobicContact CG-CD1 4.45Å; M640-I739 HydrophobicContact SD-CD1 3.66Å; M640-F773 HydrophobicContact CE-CB 4.04Å; M640-F773 HydrophobicContact CE-CD1 4.32Å; M640-F773 HydrophobicContact CE-CD2 4.37Å; M640-F773 HydrophobicContact CE-CG 4Å; M640-A853 HydrophobicContact CG-CB 4.02Å; M640-A853 HydrophobicContact SD-CB 4.21Å; M640-I855 HydrophobicContact CB-CG1 4.16Å; M640-I855 HydrophobicContact CB-CG2 4.15Å; M640-I855 HydrophobicContact CG-CD1 4.28Å; M640-I855 HydrophobicContact CG-CG1 3.93Å; M640-I855 HydrophobicContact SD-CD1 3.98Å; M640-I855 HydrophobicContact SD-CG1 4.28Å
641	N	87	Confident	75.9	Confident	49 Å²	49	33.7 Å²	33.7	26%	0.262	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.3	176.7	-63.1	-12	0	0	0	109.1	F734 V735 S736 A853 H854	N641-F734 HydrophobicContact CB-CB 4.47Å; N641-F734 HydrophobicContact CB-CD1 4.31Å; N641-V735 CarbonylContact C-O 3.54Å; N641-V735 WeakPolarHBondContact CA-O 2.83Å; N641-S736 WeakPolarHBondContact OD1-CB 3.41Å; N641-S736 PolarHBondContact OD1-OG 3.1Å; N641-A853 CarbonylContact O-C 3.55Å; N641-A853 VanDerWaalsContact O-CA 3.23Å; N641-A853 WeakPolarHBondContact O-CA 3.15Å; N641-H854 HydrophobicContact CB-CB 4.45Å; N641-H854 PolarHBondContact N-O 3.03Å; N641-H854 PolarHBondContact O-N 3.13Å
642	I	83.5	Confident	75.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.8	-171.1	-51.6	168.5	0	0	0	110.1	M640 V644 L647 F734 V735 I769 F773 A853	M640-I642 HydrophobicContact CE-CD1 3.53Å; M640-I642 HydrophobicContact CE-CG1 4Å; M640-I642 HydrophobicContact CG-CD1 4.25Å; M640-I642 HydrophobicContact CG-CG1 3.67Å; M640-I642 HydrophobicContact SD-CD1 4.34Å; M640-I642 HydrophobicContact SD-CG1 4.17Å; I642-V644 PolarHBondContact O-N 2.9Å; I642-L647 HydrophobicContact CG2-CD1 3.51Å; I642-L647 HydrophobicContact CG2-CG 4.18Å; I642-F734 VanDerWaalsContact O-CA 3.26Å; I642-F734 WeakPolarHBondContact O-CA 3.3Å; I642-V735 PolarHBondContact N-O 2.92Å; I642-V735 PolarHBondContact O-N 2.83Å; I642-I769 HydrophobicContact CD1-CG2 3.24Å; I642-F773 HydrophobicContact CD1-CD2 4.19Å; I642-F773 HydrophobicContact CD1-CE2 4.13Å; I642-F773 HydrophobicContact CG2-CE2 4.37Å; I642-A853 HydrophobicContact CG1-CB 4.25Å
643	N	82	Confident	74.7	Confident	12 Å²	12	43.1 Å²	43.1	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	105.1	174.7	-176.3	-11.3	0	0	0	110.4	D645 Y646 L647 F734 V852	N643-D645 PolarHBondContact OD1-N 3.27Å; N643-Y646 WeakPolarHBondContact O-CB 3.49Å; N643-Y646 PolarHBondContact O-N 2.96Å; N643-Y646 PolarHBondContact OD1-N 3.24Å; N643-L647 PolarHBondContact O-N 3.25Å; N643-F734 HydrophobicContact CB-CD1 4.43Å; N643-F734 HydrophobicContact CB-CE1 4Å; N643-V852 WeakPolarHBondContact CB-O 3.47Å; N643-V852 PolarHBondContact N-O 2.86Å
644	V	75.2	Confident	74.3	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-70.6	-37.9	-175.6	-176.6	0	0	0	0	111.5	I642 Y646 L647 I648 F667 I733 V735	I642-V644 PolarHBondContact O-N 2.9Å; V644-Y646 PolarHBondContact O-N 3.24Å; V644-L647 PolarHBondContact O-N 3.1Å; V644-L647 VanDerWaalsContact O-N 3.11Å; V644-I648 HydrophobicContact CG1-CD1 3.75Å; V644-I648 HydrophobicContact CG1-CG1 4.13Å; V644-I648 WeakPolarHBondContact O-CG1 3.03Å; V644-I648 PolarHBondContact O-N 3.48Å; V644-F667 HydrophobicContact CG1-CE2 4.06Å; V644-F667 HydrophobicContact CG1-CZ 4.11Å; V644-I733 HydrophobicContact CB-CB 4.39Å; V644-I733 HydrophobicContact CB-CG2 4.47Å; V644-I733 WeakPolarHBondContact CB-O 3.33Å; V644-I733 HydrophobicContact CG2-CG2 4.28Å; V644-I733 WeakPolarHBondContact CG2-O 3.47Å; V644-I733 PolarHBondContact N-O 3.29Å; V644-V735 HydrophobicContact CG2-CB 3.97Å; V644-V735 HydrophobicContact CG2-CG2 3.34Å
645	D	70.3	Confident	73.2	Confident	29 Å²	29	46.2 Å²	46.2	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-35.2	178.7	-64.5	-38.9	0	0	0	111	N643 N649 H664 K732 I733	N643-D645 PolarHBondContact OD1-N 3.27Å; D645-N649 WeakPolarHBondContact O-CB 3.49Å; D645-N649 PolarHBondContact O-N 3.38Å; D645-N649 PolarHBondContact O-ND2 3.31Å; D645-H664 IonicContact OD1-CE1 3.67Å; D645-K732 WeakPolarHBondContact OD2-CA 3.14Å; D645-I733 PolarHBondContact OD2-N 3.1Å
646	Y	71.9	Confident	71.9	Confident	48 Å²	48	47.9 Å²	47.9	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-51.7	172.3	-173.2	-93.5	0	0	0	112.1	N643 V644 I648 N649 K650 D830 V852	N643-Y646 WeakPolarHBondContact O-CB 3.49Å; N643-Y646 PolarHBondContact O-N 2.96Å; N643-Y646 PolarHBondContact OD1-N 3.24Å; V644-Y646 PolarHBondContact O-N 3.24Å; Y646-I648 PolarHBondContact O-N 2.94Å; Y646-N649 PolarHBondContact O-N 3.06Å; Y646-K650 HydrophobicContact CE1-CD 4.03Å; Y646-K650 WeakPolarHBondContact O-CB 3.46Å; Y646-K650 PolarHBondContact O-N 3.35Å; Y646-D830 WeakPolarHBondContact CE1-OD2 3.42Å; Y646-D830 VanDerWaalsContact CZ-OD2 3.26Å; Y646-D830 PolarHBondContact OH-OD1 2.92Å; Y646-D830 PolarHBondContact OH-OD2 2.85Å; Y646-V852 HydrophobicContact CD1-CB 4.17Å; Y646-V852 HydrophobicContact CD1-CG1 3.54Å; Y646-V852 HydrophobicContact CD1-CG2 3.71Å; Y646-V852 HydrophobicContact CE1-CB 4.36Å; Y646-V852 HydrophobicContact CE1-CG1 3.95Å; Y646-V852 HydrophobicContact CE1-CG2 3.48Å; Y646-V852 VanDerWaalsContact CE1-CG2 3.48Å; Y646-V852 HydrophobicContact CE2-CG2 4.39Å; Y646-V852 HydrophobicContact CG-CG1 4.34Å; Y646-V852 HydrophobicContact CG-CG2 4.25Å
647	L	69.7	Low	69.7	Low	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-44.4	-178.9	-79.7	173.9	0	0	0	112.4	I642 N643 V644 N649 K650 W651 I769 F773	I642-L647 HydrophobicContact CG2-CD1 3.51Å; I642-L647 HydrophobicContact CG2-CG 4.18Å; N643-L647 PolarHBondContact O-N 3.25Å; V644-L647 PolarHBondContact O-N 3.1Å; V644-L647 VanDerWaalsContact O-N 3.11Å; L647-N649 VanDerWaalsContact C-N 3.33Å; L647-N649 PolarHBondContact O-N 3.47Å; L647-K650 PolarHBondContact O-N 2.87Å; L647-W651 HydrophobicContact CD2-CZ2 4.43Å; L647-W651 VanDerWaalsContact O-CG 3.31Å; L647-W651 PolarHBondContact O-N 2.82Å; L647-I769 HydrophobicContact CD1-CD1 4.33Å; L647-I769 HydrophobicContact CD1-CG1 4.15Å; L647-F773 HydrophobicContact CD1-CE2 4.36Å; L647-F773 HydrophobicContact CD2-CE2 4.29Å
648	I	67	Low	67.5	Low	26 Å²	26	53 Å²	53	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-46.2	179	-69.8	173.3	0	0	0	110.4	V644 Y646 K650 W651 K652	V644-I648 HydrophobicContact CG1-CD1 3.75Å; V644-I648 HydrophobicContact CG1-CG1 4.13Å; V644-I648 WeakPolarHBondContact O-CG1 3.03Å; V644-I648 PolarHBondContact O-N 3.48Å; Y646-I648 PolarHBondContact O-N 2.94Å; I648-K650 VanDerWaalsContact C-N 3.33Å; I648-K650 PolarHBondContact O-N 2.82Å; I648-W651 PolarHBondContact O-N 3.41Å; I648-K652 HydrophobicContact CG2-CD 4.36Å; I648-K652 WeakPolarHBondContact O-CG 3.5Å; I648-K652 PolarHBondContact O-N 3.03Å
649	N	64.9	Low	65.3	Low	84 Å²	84	58.2 Å²	58.2	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178	-77.4	-26.3	0	0	0	111.9	D645 Y646 L647 K652 L653	D645-N649 WeakPolarHBondContact O-CB 3.49Å; D645-N649 PolarHBondContact O-N 3.38Å; D645-N649 PolarHBondContact O-ND2 3.31Å; Y646-N649 PolarHBondContact O-N 3.06Å; L647-N649 VanDerWaalsContact C-N 3.33Å; L647-N649 PolarHBondContact O-N 3.47Å; N649-K652 PolarHBondContact O-N 3.14Å; N649-L653 WeakPolarHBondContact O-CG 3.46Å; N649-L653 PolarHBondContact O-N 3.46Å; N649-L653 VanDerWaalsContact O-N 3.08Å
650	K	65.3	Low	63.1	Low	45 Å²	45	59.3 Å²	59.3	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-46.5	175.8	-171.4	170.3	-178.2	168.1	0	112	Y646 L647 I648 K652 L653 T654 D830	Y646-K650 HydrophobicContact CE1-CD 4.03Å; Y646-K650 WeakPolarHBondContact O-CB 3.46Å; Y646-K650 PolarHBondContact O-N 3.35Å; L647-K650 PolarHBondContact O-N 2.87Å; I648-K650 VanDerWaalsContact C-N 3.33Å; I648-K650 PolarHBondContact O-N 2.82Å; K650-K652 VanDerWaalsContact C-N 3.34Å; K650-K652 PolarHBondContact O-N 2.85Å; K650-L653 PolarHBondContact O-N 2.85Å; K650-L653 VanDerWaalsContact O-N 3.12Å; K650-T654 PolarHBondContact O-N 3.42Å; K650-T654 PolarHBondContact O-OG1 3.21Å; K650-D830 IonicContact NZ-OD2 3.92Å; K650-D830 PolarHBondContact NZ-OD2 2.79Å
651	W	66	Low	60.8	Low	34 Å²	34	67.9 Å²	67.9	13%	0.129	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.1	-67.8	-20.2	0	0	0	112.8	L647 I648 L653 T654 G655 V656 I662 Q768 I769	L647-W651 HydrophobicContact CD2-CZ2 4.43Å; L647-W651 VanDerWaalsContact O-CG 3.31Å; L647-W651 PolarHBondContact O-N 2.82Å; I648-W651 PolarHBondContact O-N 3.41Å; W651-L653 VanDerWaalsContact C-N 3.32Å; W651-L653 PolarHBondContact O-N 2.71Å; W651-T654 PolarHBondContact O-N 3.08Å; W651-T654 PolarHBondContact O-OG1 3.49Å; W651-G655 PolarHBondContact O-N 2.89Å; W651-V656 PolarHBondContact O-N 2.99Å; W651-I662 HydrophobicContact CE3-CD1 4.4Å; W651-I662 HydrophobicContact CZ3-CD1 3.73Å; W651-Q768 HydrophobicContact CH2-CB 3.63Å; W651-Q768 HydrophobicContact CZ2-CB 3.98Å; W651-Q768 HydrophobicContact CZ3-CB 4.39Å; W651-I769 HydrophobicContact CH2-CG1 4.34Å
652	K	62.1	Low	58.8	Low	152 Å²	152	67.5 Å²	67.5	66%	0.661	37%	0.374	S	S	*	.	H	α-helix	trans	-58.9	-43.4	171.3	-76.7	177.7	-179.7	177	0	111.8	I648 N649 K650	I648-K652 HydrophobicContact CG2-CD 4.36Å; I648-K652 WeakPolarHBondContact O-CG 3.5Å; I648-K652 PolarHBondContact O-N 3.03Å; N649-K652 PolarHBondContact O-N 3.14Å; K650-K652 VanDerWaalsContact C-N 3.34Å; K650-K652 PolarHBondContact O-N 2.85Å
653	L	53.7	Low	56.8	Low	149 Å²	149	72.2 Å²	72.2	78%	0.78	40%	0.399	S	S	*	.	H	α-helix	trans	-71.2	-34.2	-179.1	-78.4	162.8	0	0	0	113.4	N649 K650 W651 G655	N649-L653 WeakPolarHBondContact O-CG 3.46Å; N649-L653 PolarHBondContact O-N 3.46Å; N649-L653 VanDerWaalsContact O-N 3.08Å; K650-L653 PolarHBondContact O-N 2.85Å; K650-L653 VanDerWaalsContact O-N 3.12Å; W651-L653 VanDerWaalsContact C-N 3.32Å; W651-L653 PolarHBondContact O-N 2.71Å; L653-G655 VanDerWaalsContact C-N 3.31Å
654	T	54.7	Low	54.9	Low	84 Å²	84	76.2 Å²	76.2	52%	0.515	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.5	-179.5	56.6	0	0	0	0	113.7	K650 W651 V656	K650-T654 PolarHBondContact O-N 3.42Å; K650-T654 PolarHBondContact O-OG1 3.21Å; W651-T654 PolarHBondContact O-N 3.08Å; W651-T654 PolarHBondContact O-OG1 3.49Å; T654-V656 PolarHBondContact O-N 3.32Å
655	G	47	Very low	53.3	Low	55 Å²	55	83.7 Å²	83.7	57%	0.567	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	11	-176.8	0	0	0	0	0	114	W651 L653 V657	W651-G655 PolarHBondContact O-N 2.89Å; L653-G655 VanDerWaalsContact C-N 3.31Å; G655-V657 PolarHBondContact O-N 3.14Å
656	V	50.8	Low	51.9	Low	90 Å²	90	87.2 Å²	87.2	55%	0.545	47%	0.465	S	S	.	.			trans	-82.2	77.5	173.5	-176.7	0	0	0	0	106.2	W651 T654 P658	W651-V656 PolarHBondContact O-N 2.99Å; T654-V656 PolarHBondContact O-N 3.32Å; V656-P658 WeakPolarHBondContact O-CD 3.29Å
657	V	41.1	Very low	50.6	Low	120 Å²	120	85.8 Å²	85.8	73%	0.727	46%	0.46	S	S	*	.			trans	-74.2	120.4	178.1	-175.3	0	0	0	0	107.7	G655 S659	G655-V657 PolarHBondContact O-N 3.14Å; V657-S659 PolarHBondContact O-N 3.45Å
658	P	42.2	Very low	49	Very low	37 Å²	37	91.5 Å²	91.5	24%	0.24	49%	0.486	C	S	.	.			trans	-65.7	130.1	174.7	26.5	-31.1	0	0	0	108.3	V656 V660 I662	V656-P658 WeakPolarHBondContact O-CD 3.29Å; P658-V660 PolarHBondContact O-N 2.82Å; P658-V660 VanDerWaalsContact O-N 3.08Å; P658-I662 HydrophobicContact CB-CD1 4.49Å; P658-I662 HydrophobicContact CG-CD1 4.24Å; P658-I662 HydrophobicContact CG-CG1 4.46Å
659	S	41.6	Very low	47.5	Very low	125 Å²	125	94 Å²	94	87%	0.874	50%	0.502	S	S	*	.	S	Bend	trans	-63.5	-7.6	173.2	33.2	0	0	0	0	113.3	V657	V657-S659 PolarHBondContact O-N 3.45Å
660	V	42.3	Very low	46.1	Very low	90 Å²	90	94.2 Å²	94.2	55%	0.545	50%	0.503	S	S	.	.	S	Bend	trans	-110.4	119.1	171.7	-173.8	0	0	0	0	108	P658 I662	P658-V660 PolarHBondContact O-N 2.82Å; P658-V660 VanDerWaalsContact O-N 3.08Å; V660-I662 VanDerWaalsContact C-N 3.34Å; V660-I662 PolarHBondContact O-N 2.91Å
661	K	39.1	Very low	44.8	Very low	181 Å²	181	97.7 Å²	97.7	79%	0.787	52%	0.524	S	S	*	.			trans	-57.8	99.7	168.1	-87.1	-179.2	176.8	175	0	108	N663	K661-N663 VanDerWaalsContact C-N 3.26Å; K661-N663 PolarHBondContact O-N 2.86Å
662	I	44.5	Very low	43.2	Very low	41 Å²	41	102.5 Å²	102.5	21%	0.21	55%	0.552	C	S	.	*			trans	-67.1	92.1	167.6	-61.1	176.7	0	0	0	106.4	W651 P658 V660 H664 F667	W651-I662 HydrophobicContact CE3-CD1 4.4Å; W651-I662 HydrophobicContact CZ3-CD1 3.73Å; P658-I662 HydrophobicContact CB-CD1 4.49Å; P658-I662 HydrophobicContact CG-CD1 4.24Å; P658-I662 HydrophobicContact CG-CG1 4.46Å; V660-I662 VanDerWaalsContact C-N 3.34Å; V660-I662 PolarHBondContact O-N 2.91Å; I662-H664 PolarHBondContact O-N 2.73Å; I662-F667 HydrophobicContact CG2-CD2 4.1Å; I662-F667 HydrophobicContact CG2-CE2 3.4Å; I662-F667 HydrophobicContact CG2-CZ 4.35Å
663	N	41.9	Very low	41.7	Very low	99 Å²	99	101.9 Å²	101.9	53%	0.529	56%	0.556	S	S	.	*			trans	-72.7	121.2	173.8	-91.1	-22.2	0	0	0	108	K661 K665 Q666	K661-N663 VanDerWaalsContact C-N 3.26Å; K661-N663 PolarHBondContact O-N 2.86Å; N663-K665 PolarHBondContact O-N 2.95Å; N663-Q666 PolarHBondContact O-N 3.37Å
664	H	42.3	Very low	40.7	Very low	97 Å²	97	100.7 Å²	100.7	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-48.1	-26.3	172.5	-91.1	-61.8	0	0	0	113.3	D645 I662 Q666 F667 Q668	D645-H664 IonicContact OD1-CE1 3.67Å; I662-H664 PolarHBondContact O-N 2.73Å; H664-Q666 PolarHBondContact O-N 3.18Å; H664-F667 PolarHBondContact O-N 3.26Å; H664-Q668 PolarHBondContact O-N 2.7Å
665	K	40.7	Very low	39.5	Very low	162 Å²	162	105.1 Å²	105.1	70%	0.704	57%	0.565	S	S	*	*	H	α-helix	trans	-62.7	-34.1	174.4	-76.5	-173.2	173.7	-176.4	0	114.3	N663 F667 Q668 T669	N663-K665 PolarHBondContact O-N 2.95Å; K665-F667 VanDerWaalsContact C-N 3.3Å; K665-F667 PolarHBondContact O-N 3.01Å; K665-Q668 PolarHBondContact O-N 3.43Å; K665-T669 PolarHBondContact O-N 2.64Å; K665-T669 VanDerWaalsContact O-N 3.11Å; K665-T669 PolarHBondContact O-OG1 3Å; K665-T669 VanDerWaalsContact O-OG1 3.11Å
666	Q	41.8	Very low	38.7	Very low	103 Å²	103	106.6 Å²	106.6	48%	0.481	57%	0.567	S	S	.	*	H	α-helix	trans	-67.1	-30.5	179	-85.3	-179.1	-27	0	0	112.7	N663 H664 T669 L670	N663-Q666 PolarHBondContact O-N 3.37Å; H664-Q666 PolarHBondContact O-N 3.18Å; Q666-T669 WeakPolarHBondContact CA-OG1 3.39Å; Q666-T669 PolarHBondContact O-OG1 3.39Å; Q666-T669 VanDerWaalsContact O-OG1 3.07Å; Q666-L670 PolarHBondContact O-N 3.2Å
667	F	43.6	Very low	37.6	Very low	18 Å²	18	111.2 Å²	111.2	8%	0.079	58%	0.582	C	S	.	*	H	α-helix	trans	-75.5	-25.9	174.4	-76.4	-69.5	0	0	0	113.3	V644 I662 H664 K665 I733 V735 Y766	V644-F667 HydrophobicContact CG1-CE2 4.06Å; V644-F667 HydrophobicContact CG1-CZ 4.11Å; I662-F667 HydrophobicContact CG2-CD2 4.1Å; I662-F667 HydrophobicContact CG2-CE2 3.4Å; I662-F667 HydrophobicContact CG2-CZ 4.35Å; H664-F667 PolarHBondContact O-N 3.26Å; K665-F667 VanDerWaalsContact C-N 3.3Å; K665-F667 PolarHBondContact O-N 3.01Å; F667-I733 HydrophobicContact CB-CG2 4.38Å; F667-V735 HydrophobicContact CD1-CG2 3.94Å; F667-V735 HydrophobicContact CE1-CG2 3.37Å; F667-V735 HydrophobicContact CZ-CG2 4.23Å; F667-Y766 HydrophobicContact CD1-CE2 4.04Å; F667-Y766 AromaticContact CE1-CD2 3.85Å; F667-Y766 HydrophobicContact CE1-CD2 3.85Å; F667-Y766 HydrophobicContact CE1-CE1 4.25Å; F667-Y766 AromaticContact CE1-CE2 3.15Å; F667-Y766 HydrophobicContact CE1-CE2 3.15Å; F667-Y766 AromaticContact CE1-CZ 3.38Å; F667-Y766 WeakPolarHBondContact CE1-OH 3.48Å; F667-Y766 HydrophobicContact CZ-CD1 4.34Å; F667-Y766 HydrophobicContact CZ-CD2 4.06Å; F667-Y766 AromaticContact CZ-CE1 3.87Å; F667-Y766 HydrophobicContact CZ-CE1 3.87Å; F667-Y766 AromaticContact CZ-CE2 3.58Å; F667-Y766 HydrophobicContact CZ-CE2 3.58Å; F667-Y766 HydrophobicContact CZ-CG 4.42Å; F667-Y766 AromaticContact CZ-CZ 3.45Å; F667-Y766 VanDerWaalsContact CZ-CZ 3.45Å
668	Q	37.2	Very low	36.9	Very low	129 Å²	129	114.4 Å²	114.4	60%	0.603	58%	0.583	S	S	*	*	H	α-helix	trans	-78.4	-34.7	175	-73.5	179.7	-19.6	0	0	112.1	H664 K665	H664-Q668 PolarHBondContact O-N 2.7Å; K665-Q668 PolarHBondContact O-N 3.43Å
669	T	34.8	Very low	36.3	Very low	78 Å²	78	119.2 Å²	119.2	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-70.6	-37.1	179.9	39.9	0	0	0	0	113.3	K665 Q666 N671 N672 D673	K665-T669 PolarHBondContact O-N 2.64Å; K665-T669 VanDerWaalsContact O-N 3.11Å; K665-T669 PolarHBondContact O-OG1 3Å; K665-T669 VanDerWaalsContact O-OG1 3.11Å; Q666-T669 WeakPolarHBondContact CA-OG1 3.39Å; Q666-T669 PolarHBondContact O-OG1 3.39Å; Q666-T669 VanDerWaalsContact O-OG1 3.07Å; T669-N671 VanDerWaalsContact C-N 3.29Å; T669-N671 PolarHBondContact O-N 2.91Å; T669-N672 PolarHBondContact O-N 2.78Å; T669-D673 PolarHBondContact O-N 2.85Å
670	L	36.4	Very low	35.4	Very low	90 Å²	90	120.4 Å²	120.4	47%	0.471	60%	0.597	S	S	.	*	H	α-helix	trans	-69.7	-24.1	178.1	-111.6	100.9	0	0	0	114	Q666 N672 L765	Q666-L670 PolarHBondContact O-N 3.2Å; L670-N672 VanDerWaalsContact C-N 3.29Å; L670-L765 HydrophobicContact CD2-CD1 4.38Å
671	N	36.3	Very low	34.6	Very low	117 Å²	117	120.5 Å²	120.5	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-78.4	-13	175.4	-92.5	-6.4	0	0	0	113.3	T669	T669-N671 VanDerWaalsContact C-N 3.29Å; T669-N671 PolarHBondContact O-N 2.91Å
672	N	32.6	Very low	34.1	Very low	136 Å²	136	118 Å²	118	73%	0.727	59%	0.593	S	S	*	*	H	α-helix	trans	-92.3	-28	176.2	-81.9	-3.9	0	0	0	113	T669 L670	T669-N672 PolarHBondContact O-N 2.78Å; L670-N672 VanDerWaalsContact C-N 3.29Å
673	D	31.3	Very low	33.2	Very low	139 Å²	139	120.6 Å²	120.6	74%	0.743	61%	0.607	S	S	*	*	H	α-helix	trans	-89.4	-10.9	-178.2	-68.3	-25.7	0	0	0	113.9	T669 H675	T669-D673 PolarHBondContact O-N 2.85Å; D673-H675 PolarHBondContact O-N 2.6Å
674	N	31.7	Very low	32.5	Very low	123 Å²	123	125.5 Å²	125.5	66%	0.658	62%	0.618	S	S	*	*	S	Bend	trans	-82.1	94.5	157.7	-78.7	-18.6	0	0	0	107.6	S676	N674-S676 VanDerWaalsContact C-N 3.26Å; N674-S676 PolarHBondContact O-N 3.45Å
675	H	30.4	Very low	31.7	Very low	178 Å²	178	127.7 Å²	127.7	82%	0.824	63%	0.628	S	S	*	*			trans	-43.8	98.8	157.6	-106.2	-67.5	0	0	0	108.4	D673 E677	D673-H675 PolarHBondContact O-N 2.6Å; H675-E677 VanDerWaalsContact C-N 3.26Å; H675-E677 PolarHBondContact O-N 2.83Å
676	S	30.8	Very low	31	Very low	85 Å²	85	128 Å²	128	59%	0.594	63%	0.627	S	S	*	*			trans	14.3	62.5	151.2	64.5	0	0	0	0	116	N674 Y678	N674-S676 VanDerWaalsContact C-N 3.26Å; N674-S676 PolarHBondContact O-N 3.45Å; S676-Y678 PolarHBondContact O-N 3.03Å
677	E	27.3	Very low	30.4	Very low	188 Å²	188	127.8 Å²	127.8	88%	0.879	63%	0.629	S	S	*	*			trans	-69.4	89.1	130.6	-83	-168.6	167.3	0	0	103.2	H675 I679	H675-E677 VanDerWaalsContact C-N 3.26Å; H675-E677 PolarHBondContact O-N 2.83Å; E677-I679 PolarHBondContact O-N 3.22Å
678	Y	27.2	Very low	29.6	Very low	187 Å²	187	134.3 Å²	134.3	73%	0.733	66%	0.659	S	S	*	*			trans	-32.5	116.5	153.3	-96.2	-101.3	0	0	0	105.4	S676 Q680	S676-Y678 PolarHBondContact O-N 3.03Å; Y678-Q680 PolarHBondContact O-N 3.28Å
679	I	28.3	Very low	29.1	Very low	137 Å²	137	139.8 Å²	139.8	70%	0.703	68%	0.675	S	S	*	*			trans	-47.2	95.8	137.4	-66	173.6	0	0	0	101.6	E677 P681	E677-I679 PolarHBondContact O-N 3.22Å; I679-P681 VanDerWaalsContact C-N 3.33Å; I679-P681 WeakPolarHBondContact O-CD 2.89Å
680	Q	23.8	Very low	28.7	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	68%	0.675	S	S	*	*			trans	-47.1	117.5	163.1	-82.7	-164.5	-8.9	0	0	100.8	Y678 I682	Y678-Q680 PolarHBondContact O-N 3.28Å; Q680-I682 VanDerWaalsContact C-N 3.33Å; Q680-I682 PolarHBondContact O-N 3.43Å
681	P	25.8	Very low	28.3	Very low	92 Å²	92	140 Å²	140	60%	0.597	68%	0.683	S	S	*	*			trans	-47	116	173.7	19.6	-28.9	0	0	0	102.4	I679 N683	I679-P681 VanDerWaalsContact C-N 3.33Å; I679-P681 WeakPolarHBondContact O-CD 2.89Å; P681-N683 VanDerWaalsContact C-N 3.25Å; P681-N683 WeakPolarHBondContact O-CA 3.38Å; P681-N683 PolarHBondContact O-N 3.43Å
682	I	27.7	Very low	27.9	Very low	129 Å²	129	142.7 Å²	142.7	66%	0.662	69%	0.689	S	S	*	*			trans	-41.6	110	-179.8	-80.5	169.7	0	0	0	102.3	Q680 R684	Q680-I682 VanDerWaalsContact C-N 3.33Å; Q680-I682 PolarHBondContact O-N 3.43Å; I682-R684 PolarHBondContact O-N 2.94Å
683	N	26.4	Very low	27.6	Very low	94 Å²	94	144.6 Å²	144.6	50%	0.503	70%	0.695	S	S	.	*			trans	-57.6	102.2	-154.7	-156.8	-4.7	0	0	0	103.2	P681 H685	P681-N683 VanDerWaalsContact C-N 3.25Å; P681-N683 WeakPolarHBondContact O-CA 3.38Å; P681-N683 PolarHBondContact O-N 3.43Å; N683-H685 PolarHBondContact ND2-CD2 3.05Å; N683-H685 PolarHBondContact ND2-NE2 3.32Å; N683-H685 PolarHBondContact O-N 3.2Å
684	R	26.3	Very low	27.5	Very low	202 Å²	202	147 Å²	147	76%	0.762	70%	0.699	S	S	*	*			trans	-75.5	62.5	169.2	-83.1	-170.9	-176.8	-177.6	2.1	101.7	I682 Y686	I682-R684 PolarHBondContact O-N 2.94Å; R684-Y686 HydrophobicContact CB-CD2 4.27Å; R684-Y686 HydrophobicContact CG-CD2 4.43Å; R684-Y686 PolarHBondContact O-N 3.37Å
685	H	25.8	Very low	27.2	Very low	143 Å²	143	151.3 Å²	151.3	66%	0.662	71%	0.708	S	S	*	*				-56.8	66.9	127	-76.2	-49.6	0	0	0	107.1	N683 D687	N683-H685 PolarHBondContact ND2-CD2 3.05Å; N683-H685 PolarHBondContact ND2-NE2 3.32Å; N683-H685 PolarHBondContact O-N 3.2Å; H685-D687 PolarHBondContact O-N 2.79Å
686	Y	26.3	Very low	27	Very low	170 Å²	170	148.4 Å²	148.4	67%	0.667	70%	0.698	S	S	*	*				-45.1	105.4	114.1	-92.9	-89.5	0	0	0	105	R684 Q688	R684-Y686 HydrophobicContact CB-CD2 4.27Å; R684-Y686 HydrophobicContact CG-CD2 4.43Å; R684-Y686 PolarHBondContact O-N 3.37Å; Y686-Q688 PolarHBondContact O-N 2.95Å
687	D	28.8	Very low	26.8	Very low	98 Å²	98	151.7 Å²	151.7	52%	0.524	71%	0.709	S	S	.	*			trans	-53.3	81.8	147.7	-92.3	-25.9	0	0	0	107.1	H685 W689 S690 T691	H685-D687 PolarHBondContact O-N 2.79Å; D687-W689 PolarHBondContact O-N 3.04Å; D687-S690 WeakPolarHBondContact CB-OG 3.06Å; D687-T691 PolarHBondContact O-OG1 2.87Å
688	Q	26.8	Very low	26.7	Very low	155 Å²	155	151.2 Å²	151.2	72%	0.724	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	6	158.9	-129.8	172.3	-3.2	0	0	109.9	Y686	Y686-Q688 PolarHBondContact O-N 2.95Å
689	W	25.8	Very low	26.6	Very low	244 Å²	244	145.2 Å²	145.2	92%	0.924	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	7.5	176.7	-80.6	2.3	0	0	0	115.9	D687	D687-W689 PolarHBondContact O-N 3.04Å
690	S	27.4	Very low	26.4	Very low	70 Å²	70	149 Å²	149	49%	0.49	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.8	1.1	169.5	66.9	0	0	0	0	115.5	D687	D687-S690 WeakPolarHBondContact CB-OG 3.06Å
691	T	28.1	Very low	26.5	Very low	102 Å²	102	152.9 Å²	152.9	63%	0.626	72%	0.722	S	S	*	*	S	Bend	trans	-106.7	8.9	167.8	38	0	0	0	0	114	D687	D687-T691 PolarHBondContact O-OG1 2.87Å
692	K	27.4	Very low	26.5	Very low	173 Å²	173	156.5 Å²	156.5	75%	0.752	73%	0.734	S	S	*	*	S	Bend	trans	-94.8	8.7	167.9	-135	174.5	-175.5	179.6	0	113.8
693	M	27.2	Very low	26.3	Very low	177 Å²	177	158.1 Å²	158.1	87%	0.872	75%	0.745	S	S	*	*	S	Bend	trans	-133.1	13.4	179.2	-89.5	-155	171.5	0	0	115.8
694	K	27.7	Very low	26.3	Very low	188 Å²	188	164.6 Å²	164.6	82%	0.817	76%	0.762	S	S	*	*	S	Bend	trans	-127.7	11.8	175.5	-105.2	178.7	178.9	177.1	0	116.2
695	Y	26.6	Very low	26.4	Very low	214 Å²	214	165.1 Å²	165.1	84%	0.839	77%	0.766	S	S	*	*	S	Bend	trans	-121.4	18.7	164	-82.3	-80.5	0	0	0	112.9
696	N	25.6	Very low	26.6	Very low	118 Å²	118	167.1 Å²	167.1	63%	0.631	77%	0.772	S	S	*	*	S	Bend	trans	-106.9	19	174.6	-90.6	-5.2	0	0	0	114.1
697	N	26.2	Very low	26.6	Very low	153 Å²	153	168.6 Å²	168.6	82%	0.818	78%	0.782	S	S	*	*	S	Bend	trans	-123.1	16.6	174.4	-101	-10.2	0	0	0	114.8
698	L	26.3	Very low	26.6	Very low	179 Å²	179	169.9 Å²	169.9	94%	0.937	80%	0.799	S	S	*	*	S	Bend	trans	-134.9	27.6	164.7	-119.3	105.4	0	0	0	112.3
699	G	24.6	Very low	26.8	Very low	61 Å²	61	167.8 Å²	167.8	63%	0.629	80%	0.799	S	S	*	*	S	Bend	trans	-124	21.2	176	0	0	0	0	0	113.5
700	Y	24.7	Very low	26.8	Very low	217 Å²	217	161 Å²	161	85%	0.851	79%	0.789	S	S	*	*	S	Bend	trans	-122.5	40.5	-177.9	-109.8	-82.2	0	0	0	112.5
701	R	25.9	Very low	26.7	Very low	231 Å²	231	169.2 Å²	169.2	87%	0.872	81%	0.811	S	S	*	*	S	Bend	trans	-155.1	128.8	160.2	-94.3	175.6	-167.4	-169.6	2.4	104.9
702	I	26.2	Very low	26.7	Very low	168 Å²	168	173.6 Å²	173.6	86%	0.862	82%	0.821	S	S	*	*			trans	90.7	62.9	-168.5	-45.6	156.1	0	0	0	113.1
703	N	22.9	Very low	26.5	Very low	164 Å²	164	173.3 Å²	173.3	88%	0.877	83%	0.826	S	S	*	*			trans	-150.5	73.2	142.6	-106	-20.9	0	0	0	107.9
704	R	25.6	Very low	26.5	Very low	230 Å²	230	171.7 Å²	171.7	87%	0.868	83%	0.827	S	S	*	*			trans	-125.4	94.6	150.2	-79.4	-174.2	-170.8	166.5	2.6	104.4
705	Y	28.4	Very low	26.4	Very low	213 Å²	213	171 Å²	171	84%	0.835	82%	0.823	S	S	*	*	S	Bend	trans	-177.2	103.7	132.9	-91.8	-69	0	0	0	108.9
706	K	30.8	Very low	26.3	Very low	185 Å²	185	167.6 Å²	167.6	80%	0.804	82%	0.82	S	S	*	*			trans	29.2	110.6	145.5	-66.8	176.5	175.4	179	0	117.3
707	K	26.6	Very low	26.5	Very low	201 Å²	201	168.7 Å²	168.7	87%	0.874	83%	0.831	S	S	*	*				52.9	104.2	94.1	-81.4	-172.6	175.7	-178.2	0	113.6
708	S	28.6	Very low	26.3	Very low	124 Å²	124	168.4 Å²	168.4	87%	0.867	83%	0.829	S	S	*	*				-160.5	147.8	122.3	-78	0	0	0	0	111
709	P	31.1	Very low	26.3	Very low	112 Å²	112	171 Å²	171	73%	0.727	83%	0.828	S	S	*	*			trans	-110.8	157.5	-159.2	37.9	-25.1	0	0	0	114.3
710	S	24.7	Very low	26.2	Very low	102 Å²	102	176 Å²	176	71%	0.713	84%	0.838	S	S	*	*			trans	59.2	109.2	144.6	54.4	0	0	0	0	119.6
711	Y	26.5	Very low	26.2	Very low	242 Å²	242	175.8 Å²	175.8	95%	0.949	84%	0.837	S	S	*	*			trans	-115.4	134.6	140.9	-101.5	-93	0	0	0	110.5
712	K	27.3	Very low	26.1	Very low	194 Å²	194	170.7 Å²	170.7	84%	0.843	83%	0.831	S	S	*	*			trans	-70.7	144.7	-168.1	-74.6	170.1	170.7	174.2	0	112.6
713	L	22.7	Very low	26	Very low	166 Å²	166	169.3 Å²	169.3	87%	0.869	82%	0.821	S	S	*	*			trans	-53.1	130.9	159.4	-85.5	88.6	0	0	0	110.9
714	V	28.6	Very low	26.1	Very low	144 Å²	144	166.2 Å²	166.2	87%	0.873	81%	0.81	S	S	*	*			trans	-109.3	121.4	153.8	177	0	0	0	0	107.5
715	K	25.5	Very low	26.3	Very low	173 Å²	173	162.9 Å²	162.9	75%	0.752	81%	0.808	S	S	*	*			trans	-76	148.3	172.3	-85.5	176.6	169.8	179.1	0	110.1
716	N	23.7	Very low	26.2	Very low	143 Å²	143	159.5 Å²	159.5	77%	0.765	80%	0.803	S	S	*	*			trans	72.4	92.7	156.8	-64.3	5.7	0	0	0	118
717	T	29.6	Very low	25.8	Very low	140 Å²	140	159.2 Å²	159.2	86%	0.859	80%	0.804	S	S	*	*			trans	-141.4	109.1	130.2	47.7	0	0	0	0	108.6	Y719	T717-Y719 PolarHBondContact O-N 2.89Å
718	D	23.1	Very low	26	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	80%	0.797	S	S	*	*			trans	-55.5	118.3	161.2	-70.4	-56.6	0	0	0	109.6
719	Y	25.7	Very low	26.3	Very low	232 Å²	232	157.8 Å²	157.8	91%	0.91	80%	0.795	S	S	*	*			trans	-152.6	116	143.5	-95.9	-71.5	0	0	0	109.9	T717 Y721	T717-Y719 PolarHBondContact O-N 2.89Å; Y719-Y721 PolarHBondContact O-N 3.15Å
720	M	22.7	Very low	26.3	Very low	168 Å²	168	159.3 Å²	159.3	83%	0.828	80%	0.795	S	S	*	*			trans	-41.5	111.3	175.9	-67	-166.3	136.8	0	0	115
721	Y	24.6	Very low	27.1	Very low	212 Å²	212	160.2 Å²	160.2	83%	0.831	80%	0.796	S	S	*	*			trans	-145.8	47.3	143.4	-90.3	-76.5	0	0	0	110.2	Y719 H723	Y719-Y721 PolarHBondContact O-N 3.15Å; Y721-H723 PolarHBondContact O-N 3.45Å
722	T	23.6	Very low	28.4	Very low	123 Å²	123	152.4 Å²	152.4	76%	0.755	77%	0.767	S	S	*	*			trans	-84.9	94.9	152.3	48.5	0	0	0	0	106.5	P724	T722-P724 WeakPolarHBondContact O-CD 3.03Å
723	H	24	Very low	30.1	Very low	140 Å²	140	145 Å²	145	65%	0.648	74%	0.737	S	S	*	*			trans	-57.4	116.1	157.9	-90	58.6	0	0	0	107.4	Y721 L725	Y721-H723 PolarHBondContact O-N 3.45Å; H723-L725 PolarHBondContact O-N 3.07Å
724	P	25.8	Very low	32.4	Very low	99 Å²	99	141.1 Å²	141.1	64%	0.643	71%	0.713	S	S	*	*			trans	-81.3	79.9	171.4	33.3	-25.8	0	0	0	107.1	T722	T722-P724 WeakPolarHBondContact O-CD 3.03Å
725	L	28.1	Very low	34.8	Very low	159 Å²	159	135 Å²	135	83%	0.832	68%	0.676	S	S	*	*			trans	-98.1	34.1	158.9	-76.1	171.1	0	0	0	110.7	H723	H723-L725 PolarHBondContact O-N 3.07Å
726	I	26.3	Very low	37.6	Very low	143 Å²	143	130.4 Å²	130.4	73%	0.733	67%	0.665	S	S	*	*			trans	-112.8	56.4	164	-48.6	178.5	0	0	0	107.4
727	H	24.1	Very low	40.5	Very low	178 Å²	178	123.8 Å²	123.8	82%	0.824	63%	0.63	S	S	*	*			trans	-141.2	54.8	166.5	-95.3	-60.3	0	0	0	110.9
728	S	30.3	Very low	43.3	Very low	104 Å²	104	121.2 Å²	121.2	73%	0.727	61%	0.608	S	S	*	*			trans	-157.3	52.7	144	62.3	0	0	0	0	110.3	M730	S728-M730 PolarHBondContact O-N 2.78Å
729	K	33.4	Very low	46.4	Very low	191 Å²	191	114.1 Å²	114.1	83%	0.83	57%	0.57	S	S	*	*			trans	-65.8	79.4	141.7	-95.9	-175.8	176.1	177.2	0	105.3	T731	K729-T731 VanDerWaalsContact C-N 3.27Å; K729-T731 PolarHBondContact O-N 3.36Å
730	M	31.8	Very low	49.3	Very low	144 Å²	144	105.4 Å²	105.4	71%	0.709	54%	0.538	S	S	*	.			trans	-53.3	105.8	160.8	-93.9	-175.6	150.5	0	0	104.4	S728 K732	S728-M730 PolarHBondContact O-N 2.78Å; M730-K732 PolarHBondContact O-N 3.29Å
731	T	41.5	Very low	52.4	Low	122 Å²	122	97.4 Å²	97.4	75%	0.748	50%	0.498	S	S	*	.			trans	-61.7	88.7	169.2	41.6	0	0	0	0	105.5	K729 I733	K729-T731 VanDerWaalsContact C-N 3.27Å; K729-T731 PolarHBondContact O-N 3.36Å; T731-I733 PolarHBondContact O-N 2.98Å
732	K	53.4	Low	55.1	Low	78 Å²	78	88.2 Å²	88.2	34%	0.339	47%	0.465	S	S	.	.			trans	-49.2	115.3	177.7	-74.5	174.9	179.5	169.4	0	107.1	D645 M730 F734 E849	D645-K732 WeakPolarHBondContact OD2-CA 3.14Å; M730-K732 PolarHBondContact O-N 3.29Å; K732-F734 HydrophobicContact CB-CD2 4.29Å; K732-F734 HydrophobicContact CB-CE2 3.6Å; K732-F734 HydrophobicContact CB-CZ 3.92Å; K732-F734 HydrophobicContact CD-CZ 4.3Å; K732-F734 WeakPolarHBondContact O-CD2 3.39Å; K732-F734 WeakPolarHBondContact O-CE2 3.39Å; K732-F734 PolarHBondContact O-N 3.24Å; K732-E849 PolarHBondContact NZ-O 2.8Å
733	I	63.6	Low	57.7	Low	39 Å²	39	82.4 Å²	82.4	20%	0.2	43%	0.429	C	S	.	.			trans	-76.4	120.8	178.3	-59.1	175.5	0	0	0	106.5	V644 D645 F667 T731	V644-I733 HydrophobicContact CB-CB 4.39Å; V644-I733 HydrophobicContact CB-CG2 4.47Å; V644-I733 WeakPolarHBondContact CB-O 3.33Å; V644-I733 HydrophobicContact CG2-CG2 4.28Å; V644-I733 WeakPolarHBondContact CG2-O 3.47Å; V644-I733 PolarHBondContact N-O 3.29Å; D645-I733 PolarHBondContact OD2-N 3.1Å; F667-I733 HydrophobicContact CB-CG2 4.38Å; T731-I733 PolarHBondContact O-N 2.98Å
734	F	70.9	Confident	60.1	Low	84 Å²	84	76.8 Å²	76.8	37%	0.368	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.1	176.6	-69.4	-84	0	0	0	110.6	N641 I642 N643 K732	N641-F734 HydrophobicContact CB-CB 4.47Å; N641-F734 HydrophobicContact CB-CD1 4.31Å; I642-F734 VanDerWaalsContact O-CA 3.26Å; I642-F734 WeakPolarHBondContact O-CA 3.3Å; N643-F734 HydrophobicContact CB-CD1 4.43Å; N643-F734 HydrophobicContact CB-CE1 4Å; K732-F734 HydrophobicContact CB-CD2 4.29Å; K732-F734 HydrophobicContact CB-CE2 3.6Å; K732-F734 HydrophobicContact CB-CZ 3.92Å; K732-F734 HydrophobicContact CD-CZ 4.3Å; K732-F734 WeakPolarHBondContact O-CD2 3.39Å; K732-F734 WeakPolarHBondContact O-CE2 3.39Å; K732-F734 PolarHBondContact O-N 3.24Å
735	V	79.1	Confident	62.2	Low	16 Å²	16	73.3 Å²	73.3	10%	0.097	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.2	167	168.9	0	0	0	0	108.1	N641 I642 V644 F667 I769	N641-V735 CarbonylContact C-O 3.54Å; N641-V735 WeakPolarHBondContact CA-O 2.83Å; I642-V735 PolarHBondContact N-O 2.92Å; I642-V735 PolarHBondContact O-N 2.83Å; V644-V735 HydrophobicContact CG2-CB 3.97Å; V644-V735 HydrophobicContact CG2-CG2 3.34Å; F667-V735 HydrophobicContact CD1-CG2 3.94Å; F667-V735 HydrophobicContact CE1-CG2 3.37Å; F667-V735 HydrophobicContact CZ-CG2 4.23Å; V735-I769 HydrophobicContact CB-CD1 4.35Å; V735-I769 HydrophobicContact CG1-CD1 4.19Å
736	S	83.2	Confident	63.8	Low	75 Å²	75	73.6 Å²	73.6	52%	0.524	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129	176.8	-54.6	0	0	0	0	109.3	M640 N641	M640-S736 CarbonylContact O-C 3.59Å; M640-S736 WeakPolarHBondContact O-CA 3.3Å; N641-S736 WeakPolarHBondContact OD1-CB 3.41Å; N641-S736 PolarHBondContact OD1-OG 3.1Å
737	C	85.6	Confident	65.5	Low	4 Å²	4	72.5 Å²	72.5	3%	0.027	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.2	175.9	-53.2	0	0	0	0	111	T639 M640 C764	T639-C737 CarbonylContact C-O 3.55Å; T639-C737 WeakPolarHBondContact CA-O 3.36Å; M640-C737 PolarHBondContact N-O 2.81Å; M640-C737 PolarHBondContact O-N 3.04Å; C737-C764 HydrophobicContact CB-CB 3.95Å; C737-C764 WeakPolarHBondContact CB-SG 3.41Å; C737-C764 WeakPolarHBondContact SG-CA 3.3Å; C737-C764 WeakPolarHBondContact SG-CB 3.45Å; C737-C764 CovalentContact SG-SG 2.01Å; C737-C764 PolarHBondContact SG-SG 3.33Å
738	H	88.4	Confident	67.3	Low	86 Å²	86	68.6 Å²	68.6	40%	0.398	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.1	165.4	-176.1	-82.3	0	0	0	109.2	G638 N762 D763	G638-H738 WeakPolarHBondContact O-CA 3.5Å; H738-N762 VanDerWaalsContact O-CA 3.24Å; H738-N762 WeakPolarHBondContact O-CA 3.43Å; H738-N762 WeakPolarHBondContact O-CB 3.41Å; H738-D763 HydrophobicContact CB-CB 4.43Å; H738-D763 PolarHBondContact O-N 2.78Å
739	I	88.6	Confident	68.2	Low	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.7	-180	-171.8	166.8	0	0	0	111.3	I637 G638 M640 L741 I760 H761 I855 L857	I637-I739 WeakPolarHBondContact CA-O 3.2Å; G638-I739 PolarHBondContact N-O 2.89Å; G638-I739 PolarHBondContact O-N 2.83Å; M640-I739 HydrophobicContact CB-CB 4.09Å; M640-I739 HydrophobicContact CB-CD1 4.03Å; M640-I739 HydrophobicContact CB-CG2 3.92Å; M640-I739 HydrophobicContact CE-CD1 4Å; M640-I739 HydrophobicContact CG-CD1 4.45Å; M640-I739 HydrophobicContact SD-CD1 3.66Å; I739-L741 HydrophobicContact CD1-CD1 4.16Å; I739-L741 HydrophobicContact CD1-CG 4.36Å; I739-L741 HydrophobicContact CG1-CD1 4.46Å; I739-L741 HydrophobicContact CG1-CG 4.39Å; I739-I760 HydrophobicContact CD1-CG2 3.69Å; I739-I760 HydrophobicContact CG1-CG2 3.94Å; I739-H761 CarbonylContact C-O 3.54Å; I739-H761 VanDerWaalsContact CA-O 3.28Å; I739-H761 WeakPolarHBondContact CA-O 3.42Å; I739-I855 HydrophobicContact CD1-CD1 4.35Å; I739-I855 HydrophobicContact CG2-CG2 3.75Å; I739-L857 HydrophobicContact CG2-CD2 3.82Å
740	E	86.5	Confident	68.7	Low	49 Å²	49	61.3 Å²	61.3	23%	0.229	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	168.4	179.8	175	163.7	0	0	109.7	R635 L636 I637 I760 H761	R635-E740 WeakPolarHBondContact CD-OE1 3.31Å; R635-E740 HydrophobicContact CG-CG 4.15Å; R635-E740 WeakPolarHBondContact CG-OE1 3.47Å; R635-E740 IonicContact CZ-OE1 3.83Å; R635-E740 IonicContact CZ-OE2 3.89Å; R635-E740 IonicContact NE-OE1 2.93Å; R635-E740 PolarHBondContact NE-OE1 2.99Å; R635-E740 IonicContact NE-OE2 2.7Å; R635-E740 PolarHBondContact NE-OE2 3.05Å; R635-E740 IonicContact NH2-OE1 2.95Å; R635-E740 IonicContact NH2-OE2 3.18Å; R635-E740 PolarHBondContact NH2-OE2 2.8Å; L636-E740 CarbonylContact O-C 3.11Å; L636-E740 VanDerWaalsContact O-CA 3.3Å; L636-E740 WeakPolarHBondContact O-CA 3.44Å; I637-E740 HydrophobicContact CG2-CB 4.18Å; I637-E740 HydrophobicContact CG2-CG 4.01Å; E740-I760 CarbonylContact O-C 3.58Å; E740-I760 WeakPolarHBondContact O-CA 3.18Å; E740-H761 HydrophobicContact CB-CB 4.03Å; E740-H761 PolarHBondContact N-O 3.01Å; E740-H761 PolarHBondContact O-N 3.43Å
741	L	87	Confident	69.4	Low	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.9	179.5	-83.2	153.2	0	0	0	109.7	L636 I739 I758 W759 I760 W811 L857	L636-L741 HydrophobicContact CB-CB 4.11Å; L636-L741 PolarHBondContact N-O 2.04Å; L636-L741 PolarHBondContact O-N 2.87Å; I739-L741 HydrophobicContact CD1-CD1 4.16Å; I739-L741 HydrophobicContact CD1-CG 4.36Å; I739-L741 HydrophobicContact CG1-CD1 4.46Å; I739-L741 HydrophobicContact CG1-CG 4.39Å; L741-I758 HydrophobicContact CD2-CD1 3.59Å; L741-I758 HydrophobicContact CD2-CG1 3.79Å; L741-W759 WeakPolarHBondContact CA-O 3.39Å; L741-I760 HydrophobicContact CD2-CG1 3.69Å; L741-W811 HydrophobicContact CD2-CZ3 4.44Å; L741-L857 HydrophobicContact CD1-CD1 3.44Å; L741-L857 VanDerWaalsContact CD1-CD1 3.44Å; L741-L857 HydrophobicContact CD1-CD2 4.06Å; L741-L857 HydrophobicContact CD1-CG 4.38Å
742	S	81.4	Confident	69.7	Low	18 Å²	18	53.3 Å²	53.3	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148	176.2	-178.8	0	0	0	0	111.3	F744 I758 W759	S742-F744 WeakPolarHBondContact OG-CB 3.17Å; S742-F744 PolarHBondContact OG-N 3.5Å; S742-F744 VanDerWaalsContact OG-N 3.12Å; S742-I758 WeakPolarHBondContact O-CA 3.36Å; S742-W759 PolarHBondContact N-O 2.9Å; S742-W759 VanDerWaalsContact N-O 3.11Å; S742-W759 PolarHBondContact O-N 2.92Å
743	D	79.6	Confident	69.7	Low	2 Å²	2	56 Å²	56	1%	0.011	30%	0.304	C	S	.	.			trans	-109.5	15.1	168.1	75.1	-16.8	0	0	0	112.8	C629 L631 Y632 Q633 W759	C629-D743 HydrophobicContact CB-CB 4.02Å; L631-D743 WeakPolarHBondContact CA-OD2 2.95Å; L631-D743 HydrophobicContact CB-CB 4.15Å; L631-D743 PolarHBondContact N-OD2 3.08Å; Y632-D743 PolarHBondContact N-OD1 3.48Å; Y632-D743 PolarHBondContact N-OD2 2.96Å; Q633-D743 PolarHBondContact N-OD1 2.94Å; D743-W759 VanDerWaalsContact C-CZ3 3.42Å
744	F	72.7	Confident	69.6	Low	22 Å²	22	55.9 Å²	55.9	10%	0.096	30%	0.302	C	S	.	.			trans	-89.5	122.4	177.3	-179.5	-97.9	0	0	0	111.8	Q633 S742 R746 G752 W759 N864	Q633-F744 HydrophobicContact CB-CD2 4.28Å; Q633-F744 HydrophobicContact CG-CD2 3.92Å; S742-F744 WeakPolarHBondContact OG-CB 3.17Å; S742-F744 PolarHBondContact OG-N 3.5Å; S742-F744 VanDerWaalsContact OG-N 3.12Å; F744-R746 HydrophobicContact CE1-CB 4.07Å; F744-R746 HydrophobicContact CE1-CG 4.18Å; F744-G752 VanDerWaalsContact CE2-CA 3.47Å; F744-W759 WeakPolarHBondContact O-CZ3 3.33Å; F744-N864 HydrophobicContact CE1-CB 4.36Å; F744-N864 WeakPolarHBondContact CE1-O 3.45Å; F744-N864 WeakPolarHBondContact CZ-O 3.42Å
745	N	70.3	Confident	69.3	Low	25 Å²	25	52.5 Å²	52.5	13%	0.134	29%	0.291	C	S	.	.			trans	-97.2	117.9	170	-163.1	-8.7	0	0	0	111.4	T747 H748 W759	N745-T747 VanDerWaalsContact C-N 3.29Å; N745-T747 VanDerWaalsContact CG-OG1 3.29Å; N745-T747 PolarHBondContact ND2-OG1 2.81Å; N745-T747 PolarHBondContact O-N 2.95Å; N745-T747 PolarHBondContact OD1-N 2.83Å; N745-T747 PolarHBondContact OD1-OG1 3.49Å; N745-H748 PolarHBondContact ND2-CD2 2.97Å; N745-H748 PolarHBondContact ND2-NE2 2.93Å; N745-H748 VanDerWaalsContact ND2-NE2 3.18Å; N745-W759 HydrophobicContact CB-CH2 3.46Å; N745-W759 VanDerWaalsContact CB-CH2 3.46Å; N745-W759 HydrophobicContact CB-CZ2 3.97Å; N745-W759 HydrophobicContact CB-CZ3 4.17Å
746	R	62.1	Low	69.1	Low	166 Å²	166	54.3 Å²	54.3	63%	0.626	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-71.9	-22.1	177.1	-154.4	177.5	-173.6	177.9	5	113	F744 H748 N864	F744-R746 HydrophobicContact CE1-CB 4.07Å; F744-R746 HydrophobicContact CE1-CG 4.18Å; R746-H748 VanDerWaalsContact C-N 3.34Å; R746-H748 PolarHBondContact O-N 2.84Å; R746-N864 VanDerWaalsContact NH1-CG 3.31Å; R746-N864 PolarHBondContact NH1-ND2 3.22Å; R746-N864 VanDerWaalsContact NH1-ND2 3.17Å; R746-N864 PolarHBondContact NH1-OD1 2.03Å; R746-N864 PolarHBondContact NH2-OD1 2.83Å
747	T	62.7	Low	69	Low	119 Å²	119	53.9 Å²	53.9	73%	0.73	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-78.9	-12.9	-176.5	64.8	0	0	0	0	114.2	N745 G749	N745-T747 VanDerWaalsContact C-N 3.29Å; N745-T747 VanDerWaalsContact CG-OG1 3.29Å; N745-T747 PolarHBondContact ND2-OG1 2.81Å; N745-T747 PolarHBondContact O-N 2.95Å; N745-T747 PolarHBondContact OD1-N 2.83Å; N745-T747 PolarHBondContact OD1-OG1 3.49Å; T747-G749 VanDerWaalsContact C-N 3.34Å
748	H	60.3	Low	68.9	Low	96 Å²	96	53.7 Å²	53.7	44%	0.444	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-92.9	19.6	177.5	-66.9	-57.5	0	0	0	113.9	N745 R746 E753	N745-H748 PolarHBondContact ND2-CD2 2.97Å; N745-H748 PolarHBondContact ND2-NE2 2.93Å; N745-H748 VanDerWaalsContact ND2-NE2 3.18Å; R746-H748 VanDerWaalsContact C-N 3.34Å; R746-H748 PolarHBondContact O-N 2.84Å; H748-E753 HydrophobicContact CB-CB 4.21Å
749	G	50.9	Low	68.6	Low	43 Å²	43	53 Å²	53	44%	0.443	28%	0.281	S	S	.	.			trans	78.9	-169.5	173.7	0	0	0	0	0	115.5	T747 T751 G752	T747-G749 VanDerWaalsContact C-N 3.34Å; G749-T751 VanDerWaalsContact C-N 3.29Å; G749-T751 PolarHBondContact O-N 2.97Å; G749-G752 PolarHBondContact O-N 2.94Å
750	S	43.7	Very low	68.4	Low	99 Å²	99	53.3 Å²	53.3	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.9	-166.8	54.6	0	0	0	0	115.7	P866	S750-P866 WeakPolarHBondContact O-CG 3.45Å
751	T	46.5	Very low	68.3	Low	98 Å²	98	56 Å²	56	60%	0.601	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.1	171	52.4	0	0	0	0	112.2	Q633 G749	Q633-T751 PolarHBondContact NE2-O 3.33Å; Q633-T751 VanDerWaalsContact NE2-O 3.11Å; G749-T751 VanDerWaalsContact C-N 3.29Å; G749-T751 PolarHBondContact O-N 2.97Å
752	G	46.9	Very low	68.2	Low	1 Å²	1	56 Å²	56	1%	0.01	30%	0.295	C	S	.	.			trans	54.1	63.1	-175.7	0	0	0	0	0	111.3	Q633 F744 G749	Q633-G752 PolarHBondContact NE2-O 3.44Å; F744-G752 VanDerWaalsContact CE2-CA 3.47Å; G749-G752 PolarHBondContact O-N 2.94Å
753	E	53.3	Low	68.3	Low	133 Å²	133	59.9 Å²	59.9	62%	0.621	32%	0.315	S	S	*	.			trans	-64.9	136	174.6	-76.6	-163.9	148.8	0	0	111.2	H748 G755	H748-E753 HydrophobicContact CB-CB 4.21Å; E753-G755 PolarHBondContact O-N 2.65Å
754	F	62.7	Low	68.3	Low	38 Å²	38	60 Å²	60	17%	0.167	32%	0.316	C	S	.	.			trans	-65	92.7	-178.4	-59.3	-79.8	0	0	0	110	K628 Y632 Q633 N756	K628-F754 HydrophobicContact CB-CB 4.34Å; K628-F754 HydrophobicContact CB-CG 4.39Å; K628-F754 HydrophobicContact CD-CB 4.1Å; K628-F754 HydrophobicContact CD-CD2 3.47Å; K628-F754 VanDerWaalsContact CD-CD2 3.47Å; K628-F754 HydrophobicContact CD-CE2 4.08Å; K628-F754 HydrophobicContact CD-CG 3.8Å; K628-F754 VanDerWaalsContact CE-CD2 3.43Å; K628-F754 HydrophobicContact CG-CB 3.8Å; K628-F754 HydrophobicContact CG-CD2 4.15Å; K628-F754 HydrophobicContact CG-CG 3.98Å; Y632-F754 HydrophobicContact CD1-CE1 4.11Å; Y632-F754 HydrophobicContact CD1-CE2 4.35Å; Y632-F754 AromaticContact CD1-CZ 3.65Å; Y632-F754 HydrophobicContact CD1-CZ 3.65Å; Y632-F754 HydrophobicContact CE1-CZ 4.39Å; Y632-F754 HydrophobicContact CG-CZ 4.48Å; Q633-F754 HydrophobicContact CG-CE1 4.31Å; Q633-F754 HydrophobicContact CG-CZ 4.35Å; F754-N756 PolarHBondContact O-N 2.96Å
755	G	63.9	Low	68.3	Low	13 Å²	13	66.2 Å²	66.2	13%	0.134	35%	0.349	C	S	.	.			trans	-72.9	43.6	178.9	0	0	0	0	0	113.4	E753 K757	E753-G755 PolarHBondContact O-N 2.65Å; G755-K757 WeakPolarHBondContact O-CB 3.32Å; G755-K757 WeakPolarHBondContact O-CG 3.23Å; G755-K757 PolarHBondContact O-N 2.74Å
756	N	75.4	Confident	68.3	Low	53 Å²	53	67.6 Å²	67.6	28%	0.283	35%	0.353	S	S	.	.	S	Bend	trans	39.9	23	177.9	68.4	-0.7	0	0	0	116.7	P626 F754 V778 C779	P626-N756 HydrophobicContact CB-CB 3.75Å; F754-N756 PolarHBondContact O-N 2.96Å; N756-V778 CarbonylContact O-C 3.25Å; N756-V778 WeakPolarHBondContact O-CA 3.48Å; N756-C779 PolarHBondContact O-N 2.94Å
757	K	80.3	Confident	68.6	Low	66 Å²	66	67.3 Å²	67.3	29%	0.287	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145	-174.8	-73	172.3	-177.1	-177.4	0	110.3	C629 G755 W759 H777 V778	C629-K757 PolarHBondContact SG-O 3.49Å; G755-K757 WeakPolarHBondContact O-CB 3.32Å; G755-K757 WeakPolarHBondContact O-CG 3.23Å; G755-K757 PolarHBondContact O-N 2.74Å; K757-W759 HydrophobicContact CB-CH2 3.92Å; K757-W759 HydrophobicContact CB-CZ2 3.87Å; K757-W759 HydrophobicContact CB-CZ3 4.38Å; K757-W759 HydrophobicContact CD-CZ2 4.4Å; K757-W759 VanDerWaalsContact O-CZ3 3.23Å; K757-W759 WeakPolarHBondContact O-CZ3 3.32Å; K757-H777 CarbonylContact C-O 3.53Å; K757-H777 WeakPolarHBondContact CA-O 3.32Å; K757-V778 HydrophobicContact CG-CG2 4.28Å
758	I	83.3	Confident	68.8	Low	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.8	164	-169.4	168.7	0	0	0	107.3	L631 L741 S742 S776 H777 L798 T800	L631-I758 HydrophobicContact CD1-CD1 3.41Å; L631-I758 VanDerWaalsContact CD1-CD1 3.41Å; L631-I758 HydrophobicContact CD1-CG1 4.1Å; L741-I758 HydrophobicContact CD2-CD1 3.59Å; L741-I758 HydrophobicContact CD2-CG1 3.79Å; S742-I758 WeakPolarHBondContact O-CA 3.36Å; I758-S776 CarbonylContact O-C 3.56Å; I758-S776 WeakPolarHBondContact O-CA 3.42Å; I758-H777 HydrophobicContact CG2-CB 3.76Å; I758-H777 PolarHBondContact N-O 3.37Å; I758-H777 PolarHBondContact O-N 2.86Å; I758-L798 HydrophobicContact CD1-CD2 3.91Å; I758-T800 HydrophobicContact CG2-CG2 4.1Å
759	W	83.4	Confident	69.2	Low	72 Å²	72	60 Å²	60	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.1	174.9	-66	-87.7	0	0	0	108.9	L741 S742 D743 F744 N745 K757	L741-W759 WeakPolarHBondContact CA-O 3.39Å; S742-W759 PolarHBondContact N-O 2.9Å; S742-W759 VanDerWaalsContact N-O 3.11Å; S742-W759 PolarHBondContact O-N 2.92Å; D743-W759 VanDerWaalsContact C-CZ3 3.42Å; F744-W759 WeakPolarHBondContact O-CZ3 3.33Å; N745-W759 HydrophobicContact CB-CH2 3.46Å; N745-W759 VanDerWaalsContact CB-CH2 3.46Å; N745-W759 HydrophobicContact CB-CZ2 3.97Å; N745-W759 HydrophobicContact CB-CZ3 4.17Å; K757-W759 HydrophobicContact CB-CH2 3.92Å; K757-W759 HydrophobicContact CB-CZ2 3.87Å; K757-W759 HydrophobicContact CB-CZ3 4.38Å; K757-W759 HydrophobicContact CD-CZ2 4.4Å; K757-W759 VanDerWaalsContact O-CZ3 3.23Å; K757-W759 WeakPolarHBondContact O-CZ3 3.32Å
760	I	84.5	Confident	70.1	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.3	176.1	-53.8	170.4	0	0	0	106.4	I739 E740 L741 F773 N774 T775 H777 W811	I739-I760 HydrophobicContact CD1-CG2 3.69Å; I739-I760 HydrophobicContact CG1-CG2 3.94Å; E740-I760 CarbonylContact O-C 3.58Å; E740-I760 WeakPolarHBondContact O-CA 3.18Å; L741-I760 HydrophobicContact CD2-CG1 3.69Å; I760-F773 VanDerWaalsContact CB-O 3.22Å; I760-F773 WeakPolarHBondContact CB-O 3.13Å; I760-F773 WeakPolarHBondContact CG2-O 3.42Å; I760-N774 CarbonylContact O-C 3.48Å; I760-N774 WeakPolarHBondContact O-CA 3.37Å; I760-N774 PolarHBondContact O-OD1 3.31Å; I760-T775 PolarHBondContact N-O 2.67Å; I760-T775 PolarHBondContact O-N 3.42Å; I760-H777 VanDerWaalsContact CD1-CD2 3.45Å; I760-H777 WeakPolarHBondContact CD1-CD2 3.5Å; I760-H777 WeakPolarHBondContact CD1-NE2 3.47Å; I760-W811 HydrophobicContact CD1-CH2 3.58Å; I760-W811 HydrophobicContact CD1-CZ2 3.71Å; I760-W811 HydrophobicContact CG1-CH2 4.45Å
761	H	84.5	Confident	71.3	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.486	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.1	165.9	-137.5	26.3	0	0	0	110	I739 E740 N774	I739-H761 CarbonylContact C-O 3.54Å; I739-H761 VanDerWaalsContact CA-O 3.28Å; I739-H761 WeakPolarHBondContact CA-O 3.42Å; E740-H761 HydrophobicContact CB-CB 4.03Å; E740-H761 PolarHBondContact N-O 3.01Å; E740-H761 PolarHBondContact O-N 3.43Å; H761-N774 WeakPolarHBondContact CA-OD1 3.35Å; H761-N774 PolarHBondContact ND1-OD1 3.1Å
762	N	83.9	Confident	72.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.7	172.5	80.4	76.1	0	0	0	112.6	H738 C764 Q770 F773 N774	H738-N762 VanDerWaalsContact O-CA 3.24Å; H738-N762 WeakPolarHBondContact O-CA 3.43Å; H738-N762 WeakPolarHBondContact O-CB 3.41Å; N762-C764 WeakPolarHBondContact OD1-CB 3.33Å; N762-C764 PolarHBondContact OD1-N 3.22Å; N762-C764 PolarHBondContact OD1-SG 3.14Å; N762-Q770 PolarHBondContact O-NE2 3.09Å; N762-Q770 VanDerWaalsContact O-NE2 3.14Å; N762-Q770 WeakPolarHBondContact OD1-CA 3.37Å; N762-F773 WeakPolarHBondContact ND2-CB 3.44Å; N762-N774 PolarHBondContact N-OD1 3.12Å; N762-N774 PolarHBondContact ND2-N 3.45Å; N762-N774 PolarHBondContact O-ND2 3.16Å
763	D	83	Confident	73.3	Confident	100 Å²	100	56.5 Å²	56.5	54%	0.535	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	61	175.1	-62.3	-39.5	0	0	0	109.1	H738	H738-D763 HydrophobicContact CB-CB 4.43Å; H738-D763 PolarHBondContact O-N 2.78Å
764	C	80	Confident	73.9	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.041	26%	0.264	C	S	.	.			trans	-75.4	136	170.6	-72.6	0	0	0	0	111	C737 N762 Y766 I769 Q770	C737-C764 HydrophobicContact CB-CB 3.95Å; C737-C764 WeakPolarHBondContact CB-SG 3.41Å; C737-C764 WeakPolarHBondContact SG-CA 3.3Å; C737-C764 WeakPolarHBondContact SG-CB 3.45Å; C737-C764 CovalentContact SG-SG 2.01Å; C737-C764 PolarHBondContact SG-SG 3.33Å; N762-C764 WeakPolarHBondContact OD1-CB 3.33Å; N762-C764 PolarHBondContact OD1-N 3.22Å; N762-C764 PolarHBondContact OD1-SG 3.14Å; C764-Y766 PolarHBondContact O-N 2.72Å; C764-Y766 VanDerWaalsContact O-N 3.16Å; C764-I769 HydrophobicContact CB-CB 4.2Å; C764-I769 HydrophobicContact CB-CG2 4.08Å; C764-I769 WeakPolarHBondContact SG-CG2 3.47Å; C764-Q770 HydrophobicContact CB-CB 4.45Å
765	L	72.1	Confident	74.5	Confident	152 Å²	152	52 Å²	52	80%	0.796	27%	0.266	S	S	*	.	S	Bend	trans	-55.4	-30.5	171.8	-103.6	146.8	0	0	0	113.5	L670	L670-L765 HydrophobicContact CD2-CD1 4.38Å
766	Y	70.8	Confident	75.3	Confident	53 Å²	53	53 Å²	53	21%	0.208	27%	0.27	C	S	.	.	S	Bend	trans	-94.9	113.5	-179.4	-72.8	-86.3	0	0	0	111.6	F667 C764 Q768 I769 Q770	F667-Y766 HydrophobicContact CD1-CE2 4.04Å; F667-Y766 AromaticContact CE1-CD2 3.85Å; F667-Y766 HydrophobicContact CE1-CD2 3.85Å; F667-Y766 HydrophobicContact CE1-CE1 4.25Å; F667-Y766 AromaticContact CE1-CE2 3.15Å; F667-Y766 HydrophobicContact CE1-CE2 3.15Å; F667-Y766 AromaticContact CE1-CZ 3.38Å; F667-Y766 WeakPolarHBondContact CE1-OH 3.48Å; F667-Y766 HydrophobicContact CZ-CD1 4.34Å; F667-Y766 HydrophobicContact CZ-CD2 4.06Å; F667-Y766 AromaticContact CZ-CE1 3.87Å; F667-Y766 HydrophobicContact CZ-CE1 3.87Å; F667-Y766 AromaticContact CZ-CE2 3.58Å; F667-Y766 HydrophobicContact CZ-CE2 3.58Å; F667-Y766 HydrophobicContact CZ-CG 4.42Å; F667-Y766 AromaticContact CZ-CZ 3.45Å; F667-Y766 VanDerWaalsContact CZ-CZ 3.45Å; C764-Y766 PolarHBondContact O-N 2.72Å; C764-Y766 VanDerWaalsContact O-N 3.16Å; Y766-Q768 PolarHBondContact O-N 3.45Å; Y766-Q768 VanDerWaalsContact O-N 3.09Å; Y766-I769 WeakPolarHBondContact O-CB 3.27Å; Y766-I769 PolarHBondContact O-N 3.25Å; Y766-Q770 PolarHBondContact O-N 2.83Å
767	Q	69.1	Low	75.8	Confident	161 Å²	161	50.5 Å²	50.5	75%	0.752	26%	0.257	S	S	*	.	H	α-helix	trans	-56.7	-29.2	-175.9	-148.7	173.6	10.7	0	0	114.1	S771	Q767-S771 WeakPolarHBondContact O-CB 3.32Å; Q767-S771 PolarHBondContact O-N 3.16Å; Q767-S771 PolarHBondContact O-OG 3.38Å
768	Q	66.7	Low	76	Confident	58 Å²	58	47.9 Å²	47.9	27%	0.271	25%	0.246	S	C	.	.	H	α-helix	trans	-75.3	-34.2	176.3	-75.4	156.4	-6.9	0	0	113.3	W651 Y766 S771 S772	W651-Q768 HydrophobicContact CH2-CB 3.63Å; W651-Q768 HydrophobicContact CZ2-CB 3.98Å; W651-Q768 HydrophobicContact CZ3-CB 4.39Å; Y766-Q768 PolarHBondContact O-N 3.45Å; Y766-Q768 VanDerWaalsContact O-N 3.09Å; Q768-S771 WeakPolarHBondContact CA-OG 3.15Å; Q768-S771 PolarHBondContact O-OG 3.22Å; Q768-S771 VanDerWaalsContact O-OG 3.12Å; Q768-S772 VanDerWaalsContact O-CB 3.3Å; Q768-S772 WeakPolarHBondContact O-CB 3.38Å; Q768-S772 PolarHBondContact O-N 2.99Å; Q768-S772 VanDerWaalsContact O-N 3.11Å; Q768-S772 PolarHBondContact O-OG 3.37Å
769	I	69.1	Low	75.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-42.6	171.6	-59.5	-176.1	0	0	0	108.4	I642 L647 W651 V735 C764 Y766 S772 F773	I642-I769 HydrophobicContact CD1-CG2 3.24Å; L647-I769 HydrophobicContact CD1-CD1 4.33Å; L647-I769 HydrophobicContact CD1-CG1 4.15Å; W651-I769 HydrophobicContact CH2-CG1 4.34Å; V735-I769 HydrophobicContact CB-CD1 4.35Å; V735-I769 HydrophobicContact CG1-CD1 4.19Å; C764-I769 HydrophobicContact CB-CB 4.2Å; C764-I769 HydrophobicContact CB-CG2 4.08Å; C764-I769 WeakPolarHBondContact SG-CG2 3.47Å; Y766-I769 WeakPolarHBondContact O-CB 3.27Å; Y766-I769 PolarHBondContact O-N 3.25Å; I769-S772 PolarHBondContact O-N 3.01Å; I769-F773 HydrophobicContact CG2-CD2 3.96Å; I769-F773 HydrophobicContact CG2-CE2 4.39Å; I769-F773 WeakPolarHBondContact O-CD2 3.18Å; I769-F773 PolarHBondContact O-N 2.77Å; I769-F773 VanDerWaalsContact O-N 3.12Å
770	Q	69.7	Low	75.8	Confident	56 Å²	56	44.6 Å²	44.6	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-56.4	-55.3	174.7	-155.4	173.8	22.2	0	0	110.3	N762 C764 Y766 S772 F773 N774	N762-Q770 PolarHBondContact O-NE2 3.09Å; N762-Q770 VanDerWaalsContact O-NE2 3.14Å; N762-Q770 WeakPolarHBondContact OD1-CA 3.37Å; C764-Q770 HydrophobicContact CB-CB 4.45Å; Y766-Q770 PolarHBondContact O-N 2.83Å; Q770-S772 VanDerWaalsContact C-N 3.27Å; Q770-S772 PolarHBondContact O-N 2.91Å; Q770-F773 PolarHBondContact O-N 3.25Å; Q770-N774 HydrophobicContact CG-CB 4.16Å; Q770-N774 WeakPolarHBondContact O-CA 3.2Å; Q770-N774 WeakPolarHBondContact O-CB 3.29Å; Q770-N774 PolarHBondContact O-N 2.86Å
771	S	67.8	Low	75.6	Confident	82 Å²	82	44.3 Å²	44.3	57%	0.573	23%	0.233	S	C	*	.	H	α-helix	trans	-62.4	-29.3	179.1	64.3	0	0	0	0	114.6	Q767 Q768	Q767-S771 WeakPolarHBondContact O-CB 3.32Å; Q767-S771 PolarHBondContact O-N 3.16Å; Q767-S771 PolarHBondContact O-OG 3.38Å; Q768-S771 WeakPolarHBondContact CA-OG 3.15Å; Q768-S771 PolarHBondContact O-OG 3.22Å; Q768-S771 VanDerWaalsContact O-OG 3.12Å
772	S	66	Low	75.3	Confident	25 Å²	25	40 Å²	40	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-74.2	-30.1	179.6	-62.9	0	0	0	0	113.6	Q768 I769 Q770	Q768-S772 VanDerWaalsContact O-CB 3.3Å; Q768-S772 WeakPolarHBondContact O-CB 3.38Å; Q768-S772 PolarHBondContact O-N 2.99Å; Q768-S772 VanDerWaalsContact O-N 3.11Å; Q768-S772 PolarHBondContact O-OG 3.37Å; I769-S772 PolarHBondContact O-N 3.01Å; Q770-S772 VanDerWaalsContact C-N 3.27Å; Q770-S772 PolarHBondContact O-N 2.91Å
773	F	68.9	Low	74.9	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-119.7	-13.1	-172.9	-70.8	-78.5	0	0	0	114.4	M640 I642 L647 I760 N762 I769 Q770 T775 L828	M640-F773 HydrophobicContact CE-CB 4.04Å; M640-F773 HydrophobicContact CE-CD1 4.32Å; M640-F773 HydrophobicContact CE-CD2 4.37Å; M640-F773 HydrophobicContact CE-CG 4Å; I642-F773 HydrophobicContact CD1-CD2 4.19Å; I642-F773 HydrophobicContact CD1-CE2 4.13Å; I642-F773 HydrophobicContact CG2-CE2 4.37Å; L647-F773 HydrophobicContact CD1-CE2 4.36Å; L647-F773 HydrophobicContact CD2-CE2 4.29Å; I760-F773 VanDerWaalsContact CB-O 3.22Å; I760-F773 WeakPolarHBondContact CB-O 3.13Å; I760-F773 WeakPolarHBondContact CG2-O 3.42Å; N762-F773 WeakPolarHBondContact ND2-CB 3.44Å; I769-F773 HydrophobicContact CG2-CD2 3.96Å; I769-F773 HydrophobicContact CG2-CE2 4.39Å; I769-F773 WeakPolarHBondContact O-CD2 3.18Å; I769-F773 PolarHBondContact O-N 2.77Å; I769-F773 VanDerWaalsContact O-N 3.12Å; Q770-F773 PolarHBondContact O-N 3.25Å; F773-T775 PolarHBondContact O-N 3.43Å; F773-L828 HydrophobicContact CD1-CD2 4.44Å; F773-L828 HydrophobicContact CE1-CD2 3.77Å
774	N	67.4	Low	74.3	Confident	46 Å²	46	38.5 Å²	38.5	25%	0.246	21%	0.208	C	C	.	.	S	Bend	trans	-86.3	57.8	-176.5	-149	13	0	0	0	110.5	I760 H761 N762 Q770	I760-N774 CarbonylContact O-C 3.48Å; I760-N774 WeakPolarHBondContact O-CA 3.37Å; I760-N774 PolarHBondContact O-OD1 3.31Å; H761-N774 WeakPolarHBondContact CA-OD1 3.35Å; H761-N774 PolarHBondContact ND1-OD1 3.1Å; N762-N774 PolarHBondContact N-OD1 3.12Å; N762-N774 PolarHBondContact ND2-N 3.45Å; N762-N774 PolarHBondContact O-ND2 3.16Å; Q770-N774 HydrophobicContact CG-CB 4.16Å; Q770-N774 WeakPolarHBondContact O-CA 3.2Å; Q770-N774 WeakPolarHBondContact O-CB 3.29Å; Q770-N774 PolarHBondContact O-N 2.86Å
775	T	74.9	Confident	73.7	Confident	31 Å²	31	38.4 Å²	38.4	19%	0.19	21%	0.207	C	C	.	.	S	Bend	trans	-144.9	172.3	-167.6	60.9	0	0	0	0	111.9	I760 F773 H802	I760-T775 PolarHBondContact N-O 2.67Å; I760-T775 PolarHBondContact O-N 3.42Å; F773-T775 PolarHBondContact O-N 3.43Å; T775-H802 WeakPolarHBondContact CB-NE2 2.93Å; T775-H802 WeakPolarHBondContact CG2-NE2 3.35Å; T775-H802 PolarHBondContact OG1-CD2 3.06Å; T775-H802 PolarHBondContact OG1-NE2 3.33Å
776	S	81.2	Confident	73.2	Confident	34 Å²	34	35.5 Å²	35.5	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133	171.7	67.5	0	0	0	0	111.1	I758	I758-S776 CarbonylContact O-C 3.56Å; I758-S776 WeakPolarHBondContact O-CA 3.42Å
777	H	85	Confident	72.4	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.1	170	-64.6	-136.5	0	0	0	110.2	K757 I758 I760 T800 H802 Y809	K757-H777 CarbonylContact C-O 3.53Å; K757-H777 WeakPolarHBondContact CA-O 3.32Å; I758-H777 HydrophobicContact CG2-CB 3.76Å; I758-H777 PolarHBondContact N-O 3.37Å; I758-H777 PolarHBondContact O-N 2.86Å; I760-H777 VanDerWaalsContact CD1-CD2 3.45Å; I760-H777 WeakPolarHBondContact CD1-CD2 3.5Å; I760-H777 WeakPolarHBondContact CD1-NE2 3.47Å; H777-T800 HydrophobicContact CB-CG2 4.26Å; H777-T800 WeakPolarHBondContact CB-OG1 3.49Å; H777-T800 PolarHBondContact ND1-OG1 3.16Å; H777-H802 AromaticContact CD2-CD2 3.91Å; H777-H802 AromaticContact NE2-CD2 3.88Å; H777-Y809 AromaticContact CE1-CD2 3.43Å; H777-Y809 VanDerWaalsContact CE1-CD2 3.43Å; H777-Y809 WeakPolarHBondContact CE1-CD2 3.4Å; H777-Y809 AromaticContact CE1-CE2 3.58Å; H777-Y809 AromaticContact ND1-CD2 3.57Å
778	V	83.7	Confident	71.3	Confident	10 Å²	10	32 Å²	32	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.5	173.9	-178.6	0	0	0	0	109	M618 N756 K757 L780 T800 Y801 I803	M618-V778 HydrophobicContact CE-CB 4.32Å; M618-V778 HydrophobicContact CE-CG1 4.04Å; M618-V778 HydrophobicContact CE-CG2 4.3Å; M618-V778 HydrophobicContact SD-CG2 4.34Å; N756-V778 CarbonylContact O-C 3.25Å; N756-V778 WeakPolarHBondContact O-CA 3.48Å; K757-V778 HydrophobicContact CG-CG2 4.28Å; V778-L780 HydrophobicContact CG1-CD2 4.42Å; V778-T800 CarbonylContact O-C 3.55Å; V778-T800 WeakPolarHBondContact O-CA 3.42Å; V778-T800 WeakPolarHBondContact O-CB 3.49Å; V778-Y801 PolarHBondContact N-O 2.84Å; V778-Y801 PolarHBondContact O-N 3.47Å; V778-I803 HydrophobicContact CG2-CD1 3.7Å; V778-I803 HydrophobicContact CG2-CG1 4.02Å
779	C	82.7	Confident	70.2	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.1	179	-64	0	0	0	0	110.3	C629 N756 L798	C629-C779 HydrophobicContact CB-CB 4Å; C629-C779 WeakPolarHBondContact CB-SG 3.23Å; C629-C779 WeakPolarHBondContact SG-CB 3.24Å; C629-C779 CovalentContact SG-SG 2.02Å; C629-C779 PolarHBondContact SG-SG 2.75Å; N756-C779 PolarHBondContact O-N 2.94Å; C779-L798 HydrophobicContact CB-CD1 4.19Å
780	L	80.4	Confident	68.8	Low	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-35.4	-178.1	-58.8	-174	0	0	0	112.7	N567 A568 V610 I613 V778 I799 Y808	N567-L780 HydrophobicContact CB-CB 4.31Å; N567-L780 HydrophobicContact CB-CD2 4.07Å; N567-L780 PolarHBondContact N-O 2.87Å; A568-L780 HydrophobicContact CB-CB 4.46Å; V610-L780 HydrophobicContact CG1-CD1 4.06Å; I613-L780 HydrophobicContact CD1-CD2 3.57Å; V778-L780 HydrophobicContact CG1-CD2 4.42Å; L780-I799 HydrophobicContact CB-CG2 4.45Å; L780-I799 HydrophobicContact CD1-CG2 4.41Å; L780-I799 PolarHBondContact N-O 2.79Å; L780-Y808 HydrophobicContact CD1-CD1 3.68Å; L780-Y808 HydrophobicContact CD1-CE1 3.61Å
781	S	80	Confident	67.7	Low	0 Å²	0	43 Å²	43	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	148.4	178.1	62.9	0	0	0	0	111.3	S555 A568 Y783 I799	S555-S781 WeakPolarHBondContact OG-CA 3.42Å; S555-S781 WeakPolarHBondContact OG-CB 3.21Å; A568-S781 WeakPolarHBondContact CB-OG 3.47Å; S781-Y783 WeakPolarHBondContact CB-OH 3.44Å; S781-Y783 WeakPolarHBondContact OG-CE2 3.28Å; S781-Y783 PolarHBondContact OG-OH 2.85Å; S781-I799 PolarHBondContact N-O 3.38Å; S781-I799 PolarHBondContact O-N 2.94Å; S781-I799 WeakPolarHBondContact OG-CB 3.44Å; S781-I799 VanDerWaalsContact OG-CG1 3.26Å; S781-I799 WeakPolarHBondContact OG-CG1 3.5Å
782	A	79.1	Confident	66.9	Low	14 Å²	14	44.6 Å²	44.6	12%	0.116	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	102.4	178.8	0	0	0	0	0	111.4	S555 L796 I797 L798	S555-A782 VanDerWaalsContact CB-C 3.45Å; S555-A782 VanDerWaalsContact CB-N 3.32Å; S555-A782 WeakPolarHBondContact CB-O 3.29Å; S555-A782 PolarHBondContact OG-N 2.66Å; A782-L796 HydrophobicContact CB-CD1 4.17Å; A782-I797 CarbonylContact C-O 3.55Å; A782-I797 WeakPolarHBondContact CA-O 3.44Å; A782-L798 HydrophobicContact CB-CD1 4.05Å
783	Y	75.1	Confident	66.4	Low	2 Å²	2	48 Å²	48	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.3	-177.2	-47.8	-82.7	0	0	0	111	F553 A568 M569 E570 I608 S781 L796 I797 I799	F553-Y783 AromaticContact CD1-CD1 3.66Å; F553-Y783 HydrophobicContact CD1-CD1 3.66Å; F553-Y783 HydrophobicContact CD1-CE1 4.08Å; F553-Y783 AromaticContact CE1-CD1 3.76Å; F553-Y783 HydrophobicContact CE1-CD1 3.76Å; A568-Y783 VanDerWaalsContact C-OH 3.27Å; A568-Y783 PolarHBondContact O-OH 2.81Å; M569-Y783 WeakPolarHBondContact CA-OH 3.4Å; M569-Y783 PolarHBondContact N-OH 2.84Å; E570-Y783 HydrophobicContact CB-CE1 4.35Å; E570-Y783 PolarHBondContact N-OH 2.78Å; I608-Y783 HydrophobicContact CD1-CE2 4.23Å; S781-Y783 WeakPolarHBondContact CB-OH 3.44Å; S781-Y783 WeakPolarHBondContact OG-CE2 3.28Å; S781-Y783 PolarHBondContact OG-OH 2.85Å; Y783-L796 CarbonylContact O-C 3.59Å; Y783-L796 WeakPolarHBondContact O-CA 3.48Å; Y783-I797 HydrophobicContact CD2-CB 4.27Å; Y783-I797 HydrophobicContact CD2-CG2 4.09Å; Y783-I797 PolarHBondContact N-O 3.33Å; Y783-I797 PolarHBondContact O-N 3.09Å; Y783-I799 HydrophobicContact CE2-CG1 3.98Å
784	N	71.2	Confident	66.2	Low	67 Å²	67	51.2 Å²	51.2	36%	0.358	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.7	171.1	-71.3	-51	0	0	0	109.4	Q795 L796	N784-Q795 CarbonylContact C-O 3.59Å; N784-Q795 WeakPolarHBondContact CA-O 3.49Å; N784-L796 WeakPolarHBondContact OD1-CD1 3.44Å
785	I	67.1	Low	66.7	Low	4 Å²	4	49 Å²	49	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.3	170.5	-60.5	178.6	0	0	0	108	Q795 I797 I844	I785-Q795 HydrophobicContact CB-CB 4.11Å; I785-Q795 PolarHBondContact N-O 2.81Å; I785-Q795 PolarHBondContact O-N 3.27Å; I785-Q795 VanDerWaalsContact O-N 3.15Å; I785-I797 HydrophobicContact CD1-CD1 3.46Å; I785-I797 VanDerWaalsContact CD1-CD1 3.46Å; I785-I797 HydrophobicContact CD1-CG1 4.09Å; I785-I797 HydrophobicContact CG1-CD1 4.37Å; I785-I844 HydrophobicContact CD1-CD1 4.16Å; I785-I844 HydrophobicContact CD1-CG2 3.68Å; I785-I844 HydrophobicContact CG2-CG2 4.27Å
786	I	61.3	Low	67.1	Low	90 Å²	90	48 Å²	48	46%	0.462	27%	0.267	S	S	.	.			trans	-111.7	107.4	175	-54.4	174.3	0	0	0	106.7
787	P	54.1	Low	67.3	Low	18 Å²	18	46.5 Å²	46.5	12%	0.117	26%	0.256	C	S	.	.			trans	-64.3	150.8	179.2	23.8	-31.1	0	0	0	111.5	G789 K793 D843	P787-G789 PolarHBondContact O-N 3.04Å; P787-G789 VanDerWaalsContact O-N 3.15Å; P787-K793 VanDerWaalsContact CD-O 3.24Å; P787-K793 WeakPolarHBondContact CD-O 3.24Å; P787-K793 WeakPolarHBondContact CG-O 3.4Å; P787-D843 HydrophobicContact CB-CB 4.07Å
788	V	45.1	Very low	67.4	Low	122 Å²	122	46.4 Å²	46.4	74%	0.739	26%	0.256	S	S	*	.	S	Bend	trans	-84.1	85.7	175.8	-170.3	0	0	0	0	107.7	S841	V788-S841 CarbonylContact C-O 3.41Å; V788-S841 WeakPolarHBondContact CA-O 3.07Å; V788-S841 PolarHBondContact N-O 2.82Å
789	G	43.6	Very low	67.5	Low	52 Å²	52	46 Å²	46	54%	0.536	25%	0.253	S	S	.	.	S	Bend	trans	-179.7	173.2	-179.6	0	0	0	0	0	114.6	P787 N791	P787-G789 PolarHBondContact O-N 3.04Å; P787-G789 VanDerWaalsContact O-N 3.15Å; G789-N791 PolarHBondContact O-N 3.14Å
790	L	40.6	Very low	67.7	Low	180 Å²	180	45.8 Å²	45.8	94%	0.942	25%	0.252	S	S	*	.	S	Bend	trans	-69.8	-13.3	-178.6	-81.2	156.6	0	0	0	114.3	D792	L790-D792 PolarHBondContact O-N 3.2Å
791	N	46.9	Very low	67.9	Low	118 Å²	118	47.3 Å²	47.3	63%	0.631	26%	0.258	S	S	*	.			trans	-90.6	105.5	176.1	-78.2	-20.4	0	0	0	109.2	G789 K793	G789-N791 PolarHBondContact O-N 3.14Å; N791-K793 HydrophobicContact CB-CG 4.42Å; N791-K793 PolarHBondContact O-N 3.47Å
792	D	50.8	Low	68	Low	115 Å²	115	47.4 Å²	47.4	62%	0.615	26%	0.259	S	S	*	.			trans	-64.9	35.1	172.2	-75.6	-33.5	0	0	0	112.9	L790 R794	L790-D792 PolarHBondContact O-N 3.2Å; D792-R794 PolarHBondContact O-N 2.89Å; D792-R794 VanDerWaalsContact O-N 3.08Å
793	K	55.2	Low	67.8	Low	96 Å²	96	50.4 Å²	50.4	42%	0.417	27%	0.272	S	S	.	.			trans	-76	101.3	176.7	-70.8	-170.2	-178.8	-176.7	0	108.5	P787 N791	P787-K793 VanDerWaalsContact CD-O 3.24Å; P787-K793 WeakPolarHBondContact CD-O 3.24Å; P787-K793 WeakPolarHBondContact CG-O 3.4Å; N791-K793 HydrophobicContact CB-CG 4.42Å; N791-K793 PolarHBondContact O-N 3.47Å
794	R	65.4	Low	67.6	Low	71 Å²	71	55.8 Å²	55.8	27%	0.268	31%	0.305	S	S	.	.			trans	-82.3	138.6	179.4	-65.3	175.1	-179.2	179.1	1.9	109.9	D792 E815	D792-R794 PolarHBondContact O-N 2.89Å; D792-R794 VanDerWaalsContact O-N 3.08Å; R794-E815 PolarHBondContact O-N 2.84Å
795	Q	78.4	Confident	67.7	Low	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	173.4	-72.5	155.8	7.7	0	0	108.9	N784 I785 F813 K814 D843 I844	N784-Q795 CarbonylContact C-O 3.59Å; N784-Q795 WeakPolarHBondContact CA-O 3.49Å; I785-Q795 HydrophobicContact CB-CB 4.11Å; I785-Q795 PolarHBondContact N-O 2.81Å; I785-Q795 PolarHBondContact O-N 3.27Å; I785-Q795 VanDerWaalsContact O-N 3.15Å; Q795-F813 VanDerWaalsContact CA-O 3.27Å; Q795-F813 WeakPolarHBondContact CA-O 3.36Å; Q795-K814 HydrophobicContact CG-CG 4.22Å; Q795-D843 PolarHBondContact NE2-OD1 2.92Å; Q795-I844 HydrophobicContact CG-CD1 4.46Å
796	L	82.7	Confident	68.2	Low	9 Å²	9	62.3 Å²	62.3	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.6	174.3	167.7	72.3	0	0	0	107.8	L631 A782 Y783 N784 F813	L631-L796 HydrophobicContact CD2-CD2 4.4Å; A782-L796 HydrophobicContact CB-CD1 4.17Å; Y783-L796 CarbonylContact O-C 3.59Å; Y783-L796 WeakPolarHBondContact O-CA 3.48Å; N784-L796 WeakPolarHBondContact OD1-CD1 3.44Å; L796-F813 HydrophobicContact CB-CB 4.1Å; L796-F813 HydrophobicContact CD2-CD2 4.15Å; L796-F813 HydrophobicContact CD2-CG 4.46Å; L796-F813 HydrophobicContact CG-CD2 4.32Å; L796-F813 PolarHBondContact N-O 3.45Å; L796-F813 PolarHBondContact O-N 2.87Å
797	I	84.4	Confident	69	Low	2 Å²	2	59.4 Å²	59.4	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.7	167.8	-61.5	-175	0	0	0	107.7	A782 Y783 I785 I799 W811 I812 C834 Y836	A782-I797 CarbonylContact C-O 3.55Å; A782-I797 WeakPolarHBondContact CA-O 3.44Å; Y783-I797 HydrophobicContact CD2-CB 4.27Å; Y783-I797 HydrophobicContact CD2-CG2 4.09Å; Y783-I797 PolarHBondContact N-O 3.33Å; Y783-I797 PolarHBondContact O-N 3.09Å; I785-I797 HydrophobicContact CD1-CD1 3.46Å; I785-I797 VanDerWaalsContact CD1-CD1 3.46Å; I785-I797 HydrophobicContact CD1-CG1 4.09Å; I785-I797 HydrophobicContact CG1-CD1 4.37Å; I797-I799 HydrophobicContact CG2-CD1 4.1Å; I797-W811 CarbonylContact C-O 3.59Å; I797-W811 VanDerWaalsContact CA-O 3.27Å; I797-W811 WeakPolarHBondContact CA-O 3.18Å; I797-I812 HydrophobicContact CG1-CG1 4.35Å; I797-C834 WeakPolarHBondContact CG2-SG 3.04Å; I797-Y836 HydrophobicContact CD1-CD1 4.26Å; I797-Y836 HydrophobicContact CD1-CE1 3.67Å
798	L	87	Confident	70.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.6	177.2	176.9	72.2	0	0	0	109.1	C629 I758 C779 A782 T800 W811 F813	C629-L798 HydrophobicContact CB-CD1 4.17Å; C629-L798 HydrophobicContact CB-CD2 4.37Å; I758-L798 HydrophobicContact CD1-CD2 3.91Å; C779-L798 HydrophobicContact CB-CD1 4.19Å; A782-L798 HydrophobicContact CB-CD1 4.05Å; L798-T800 HydrophobicContact CD1-CG2 4.29Å; L798-T800 HydrophobicContact CD2-CG2 3.68Å; L798-T800 HydrophobicContact CG-CG2 3.6Å; L798-W811 HydrophobicContact CB-CB 4.13Å; L798-W811 PolarHBondContact N-O 2.94Å; L798-W811 PolarHBondContact O-N 3.14Å; L798-F813 HydrophobicContact CB-CE2 4.24Å; L798-F813 HydrophobicContact CD2-CE2 4.33Å
799	I	86.5	Confident	72.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.4	173.2	-51.6	-57.6	0	0	0	108.1	I608 L780 S781 Y783 I797 Y809 C810 P832	I608-I799 HydrophobicContact CD1-CD1 3.64Å; I608-I799 HydrophobicContact CD1-CG1 4.01Å; I608-I799 HydrophobicContact CG2-CG1 4.44Å; L780-I799 HydrophobicContact CB-CG2 4.45Å; L780-I799 HydrophobicContact CD1-CG2 4.41Å; L780-I799 PolarHBondContact N-O 2.79Å; S781-I799 PolarHBondContact N-O 3.38Å; S781-I799 PolarHBondContact O-N 2.94Å; S781-I799 WeakPolarHBondContact OG-CB 3.44Å; S781-I799 VanDerWaalsContact OG-CG1 3.26Å; S781-I799 WeakPolarHBondContact OG-CG1 3.5Å; Y783-I799 HydrophobicContact CE2-CG1 3.98Å; I797-I799 HydrophobicContact CG2-CD1 4.1Å; I799-Y809 WeakPolarHBondContact CA-O 3.11Å; I799-C810 HydrophobicContact CD1-CB 3.7Å; I799-P832 WeakPolarHBondContact CD1-O 3.33Å; I799-P832 HydrophobicContact CG2-CB 3.88Å
800	T	86.3	Confident	74.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.8	-178.7	74.5	0	0	0	0	112.3	I758 H777 V778 L798 Y808 Y809 W811	I758-T800 HydrophobicContact CG2-CG2 4.1Å; H777-T800 HydrophobicContact CB-CG2 4.26Å; H777-T800 WeakPolarHBondContact CB-OG1 3.49Å; H777-T800 PolarHBondContact ND1-OG1 3.16Å; V778-T800 CarbonylContact O-C 3.55Å; V778-T800 WeakPolarHBondContact O-CA 3.42Å; V778-T800 WeakPolarHBondContact O-CB 3.49Å; L798-T800 HydrophobicContact CD1-CG2 4.29Å; L798-T800 HydrophobicContact CD2-CG2 3.68Å; L798-T800 HydrophobicContact CG-CG2 3.6Å; T800-Y808 CarbonylContact O-C 3.54Å; T800-Y808 WeakPolarHBondContact O-CA 3.41Å; T800-Y809 PolarHBondContact N-O 3.4Å; T800-Y809 PolarHBondContact O-N 2.74Å; T800-W811 PolarHBondContact OG1-NE1 2.93Å; T800-W811 VanDerWaalsContact OG1-NE1 3.08Å
801	Y	84.9	Confident	77	Confident	33 Å²	33	44 Å²	44	13%	0.129	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.1	174.7	178.8	-107.8	0	0	0	110	M618 V778 I803 K806 Y808	M618-Y801 HydrophobicContact CE-CD1 4.09Å; V778-Y801 PolarHBondContact N-O 2.84Å; V778-Y801 PolarHBondContact O-N 3.47Å; Y801-I803 HydrophobicContact CD1-CG1 4.25Å; Y801-I803 HydrophobicContact CE1-CG1 4.3Å; Y801-K806 WeakPolarHBondContact OH-CA 3.34Å; Y801-K806 WeakPolarHBondContact OH-CB 3.5Å; Y801-Y808 AromaticContact CD2-CD1 3.7Å; Y801-Y808 HydrophobicContact CD2-CD1 3.7Å; Y801-Y808 HydrophobicContact CD2-CD2 4.2Å; Y801-Y808 AromaticContact CD2-CE1 3.49Å; Y801-Y808 HydrophobicContact CD2-CE1 3.49Å; Y801-Y808 VanDerWaalsContact CD2-CE1 3.49Å; Y801-Y808 HydrophobicContact CD2-CE2 4.02Å; Y801-Y808 HydrophobicContact CD2-CG 4.06Å; Y801-Y808 AromaticContact CD2-CZ 3.69Å; Y801-Y808 HydrophobicContact CE2-CD2 4.47Å; Y801-Y808 HydrophobicContact CE2-CE1 4.19Å; Y801-Y808 HydrophobicContact CE2-CE2 4.03Å; Y801-Y808 AromaticContact CE2-CZ 3.9Å; Y801-Y808 HydrophobicContact CG-CD1 4.39Å; Y801-Y808 HydrophobicContact CG-CE1 4.15Å
802	H	81.5	Confident	79.1	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.1	175.1	-173	-125	0	0	0	109.6	T775 H777 T804 T805 K806 T807 Y809	T775-H802 WeakPolarHBondContact CB-NE2 2.93Å; T775-H802 WeakPolarHBondContact CG2-NE2 3.35Å; T775-H802 PolarHBondContact OG1-CD2 3.06Å; T775-H802 PolarHBondContact OG1-NE2 3.33Å; H777-H802 AromaticContact CD2-CD2 3.91Å; H777-H802 AromaticContact NE2-CD2 3.88Å; H802-T804 PolarHBondContact O-N 2.85Å; H802-T805 WeakPolarHBondContact ND1-CB 3.35Å; H802-T805 WeakPolarHBondContact ND1-CG2 3.41Å; H802-T805 PolarHBondContact ND1-N 3.01Å; H802-T805 PolarHBondContact ND1-OG1 2.77Å; H802-K806 VanDerWaalsContact O-CA 3.31Å; H802-K806 WeakPolarHBondContact O-CA 3.39Å; H802-K806 PolarHBondContact O-N 2.6Å; H802-T807 PolarHBondContact N-O 3.02Å; H802-T807 PolarHBondContact O-N 2.77Å; H802-Y809 HydrophobicContact CB-CD2 4.2Å; H802-Y809 HydrophobicContact CB-CE2 3.74Å
803	I	75.2	Confident	80.9	Confident	76 Å²	76	33.3 Å²	33.3	39%	0.39	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-44.8	-173.1	-63.4	169.5	0	0	0	111	M618 V778 Y801 K806	M618-I803 HydrophobicContact SD-CD1 4.2Å; M618-I803 HydrophobicContact SD-CG1 4.18Å; V778-I803 HydrophobicContact CG2-CD1 3.7Å; V778-I803 HydrophobicContact CG2-CG1 4.02Å; Y801-I803 HydrophobicContact CD1-CG1 4.25Å; Y801-I803 HydrophobicContact CE1-CG1 4.3Å; I803-K806 PolarHBondContact O-N 2.75Å
804	T	72.1	Confident	82.4	Confident	115 Å²	115	31.5 Å²	31.5	71%	0.706	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-44.4	-172.4	-43.6	0	0	0	0	112.3	H802	H802-T804 PolarHBondContact O-N 2.85Å
805	T	72.9	Confident	83.1	Confident	60 Å²	60	29.4 Å²	29.4	37%	0.368	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6	179.3	60.3	0	0	0	0	113	H802 T807	H802-T805 WeakPolarHBondContact ND1-CB 3.35Å; H802-T805 WeakPolarHBondContact ND1-CG2 3.41Å; H802-T805 PolarHBondContact ND1-N 3.01Å; H802-T805 PolarHBondContact ND1-OG1 2.77Å; T805-T807 PolarHBondContact O-N 3.48Å; T805-T807 PolarHBondContact OG1-OG1 2.59Å
806	K	76.8	Confident	83.1	Confident	148 Å²	148	31.7 Å²	31.7	64%	0.643	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.1	-173.8	-56.9	-176.1	178.6	180	0	113.2	Y801 H802 I803	Y801-K806 WeakPolarHBondContact OH-CA 3.34Å; Y801-K806 WeakPolarHBondContact OH-CB 3.5Å; H802-K806 VanDerWaalsContact O-CA 3.31Å; H802-K806 WeakPolarHBondContact O-CA 3.39Å; H802-K806 PolarHBondContact O-N 2.6Å; I803-K806 PolarHBondContact O-N 2.75Å
807	T	77.8	Confident	82.5	Confident	29 Å²	29	39 Å²	39	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144	-178.9	52	0	0	0	0	112	H802 T805 Y809	H802-T807 PolarHBondContact N-O 3.02Å; H802-T807 PolarHBondContact O-N 2.77Å; T805-T807 PolarHBondContact O-N 3.48Å; T805-T807 PolarHBondContact OG1-OG1 2.59Å; T807-Y809 WeakPolarHBondContact OG1-CE2 3.41Å; T807-Y809 PolarHBondContact OG1-OH 3.3Å
808	Y	84.9	Confident	81.7	Confident	37 Å²	37	42.4 Å²	42.4	15%	0.145	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	148.1	173.5	-62.1	-86.6	0	0	0	110.5	I480 V610 L780 T800 Y801 D830 T831	I480-Y808 HydrophobicContact CD1-CD2 3.45Å; I480-Y808 VanDerWaalsContact CD1-CD2 3.45Å; I480-Y808 HydrophobicContact CD1-CE1 4.37Å; I480-Y808 HydrophobicContact CD1-CE2 3.24Å; I480-Y808 HydrophobicContact CD1-CG 4.11Å; I480-Y808 HydrophobicContact CG2-CD2 4.39Å; V610-Y808 HydrophobicContact CG1-CD1 4.24Å; V610-Y808 HydrophobicContact CG1-CE1 3.58Å; L780-Y808 HydrophobicContact CD1-CD1 3.68Å; L780-Y808 HydrophobicContact CD1-CE1 3.61Å; T800-Y808 CarbonylContact O-C 3.54Å; T800-Y808 WeakPolarHBondContact O-CA 3.41Å; Y801-Y808 AromaticContact CD2-CD1 3.7Å; Y801-Y808 HydrophobicContact CD2-CD1 3.7Å; Y801-Y808 HydrophobicContact CD2-CD2 4.2Å; Y801-Y808 AromaticContact CD2-CE1 3.49Å; Y801-Y808 HydrophobicContact CD2-CE1 3.49Å; Y801-Y808 VanDerWaalsContact CD2-CE1 3.49Å; Y801-Y808 HydrophobicContact CD2-CE2 4.02Å; Y801-Y808 HydrophobicContact CD2-CG 4.06Å; Y801-Y808 AromaticContact CD2-CZ 3.69Å; Y801-Y808 HydrophobicContact CE2-CD2 4.47Å; Y801-Y808 HydrophobicContact CE2-CE1 4.19Å; Y801-Y808 HydrophobicContact CE2-CE2 4.03Å; Y801-Y808 AromaticContact CE2-CZ 3.9Å; Y801-Y808 HydrophobicContact CG-CD1 4.39Å; Y801-Y808 HydrophobicContact CG-CE1 4.15Å; Y808-D830 CarbonylContact O-C 3.57Å; Y808-T831 PolarHBondContact O-N 2.82Å
809	Y	87.3	Confident	80.7	Confident	13 Å²	13	49.8 Å²	49.8	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.3	178.3	-69	-87.2	0	0	0	110.6	H777 I799 T800 H802 T807 L828 F829 D830	H777-Y809 AromaticContact CE1-CD2 3.43Å; H777-Y809 VanDerWaalsContact CE1-CD2 3.43Å; H777-Y809 WeakPolarHBondContact CE1-CD2 3.4Å; H777-Y809 AromaticContact CE1-CE2 3.58Å; H777-Y809 AromaticContact ND1-CD2 3.57Å; I799-Y809 WeakPolarHBondContact CA-O 3.11Å; T800-Y809 PolarHBondContact N-O 3.4Å; T800-Y809 PolarHBondContact O-N 2.74Å; H802-Y809 HydrophobicContact CB-CD2 4.2Å; H802-Y809 HydrophobicContact CB-CE2 3.74Å; T807-Y809 WeakPolarHBondContact OG1-CE2 3.41Å; T807-Y809 PolarHBondContact OG1-OH 3.3Å; Y809-L828 HydrophobicContact CD1-CD1 3.79Å; Y809-L828 HydrophobicContact CD1-CD2 4.46Å; Y809-L828 HydrophobicContact CD1-CG 4.21Å; Y809-L828 HydrophobicContact CG-CD1 4.25Å; Y809-F829 CarbonylContact C-O 3.58Å; Y809-F829 VanDerWaalsContact CA-O 3.23Å; Y809-F829 WeakPolarHBondContact CA-O 3.23Å; Y809-F829 WeakPolarHBondContact CD1-O 2.85Å; Y809-D830 HydrophobicContact CD1-CB 4.01Å; Y809-D830 HydrophobicContact CE1-CB 3.68Å
810	C	90.1	Very high	79.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.4	164.7	169.6	0	0	0	0	110.3	I799 L828 F829 T831 C834	I799-C810 HydrophobicContact CD1-CB 3.7Å; C810-L828 WeakPolarHBondContact O-CA 3.18Å; C810-F829 HydrophobicContact CB-CB 4.38Å; C810-F829 PolarHBondContact N-O 3.48Å; C810-F829 PolarHBondContact O-N 2.72Å; C810-T831 VanDerWaalsContact CB-O 3.3Å; C810-T831 WeakPolarHBondContact CB-O 3.42Å; C810-T831 PolarHBondContact N-O 3.13Å; C810-T831 VanDerWaalsContact N-O 3.13Å; C810-C834 HydrophobicContact CB-CB 4.02Å; C810-C834 WeakPolarHBondContact CB-SG 3.39Å; C810-C834 WeakPolarHBondContact SG-CA 3.46Å; C810-C834 WeakPolarHBondContact SG-CB 3.2Å; C810-C834 CovalentContact SG-SG 2Å; C810-C834 PolarHBondContact SG-SG 3.35Å
811	W	90.9	Very high	79.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	174.9	-54.7	70.4	0	0	0	109.1	L741 I760 I797 L798 T800 F813 V826 F827 L828 I855	L741-W811 HydrophobicContact CD2-CZ3 4.44Å; I760-W811 HydrophobicContact CD1-CH2 3.58Å; I760-W811 HydrophobicContact CD1-CZ2 3.71Å; I760-W811 HydrophobicContact CG1-CH2 4.45Å; I797-W811 CarbonylContact C-O 3.59Å; I797-W811 VanDerWaalsContact CA-O 3.27Å; I797-W811 WeakPolarHBondContact CA-O 3.18Å; L798-W811 HydrophobicContact CB-CB 4.13Å; L798-W811 PolarHBondContact N-O 2.94Å; L798-W811 PolarHBondContact O-N 3.14Å; T800-W811 PolarHBondContact OG1-NE1 2.93Å; T800-W811 VanDerWaalsContact OG1-NE1 3.08Å; W811-F813 HydrophobicContact CB-CD2 4.16Å; W811-F813 HydrophobicContact CB-CE2 3.6Å; W811-F813 HydrophobicContact CB-CZ 4.47Å; W811-F813 HydrophobicContact CE3-CZ 4.38Å; W811-F813 HydrophobicContact CG-CE2 4.36Å; W811-V826 HydrophobicContact CB-CG1 4.32Å; W811-V826 HydrophobicContact CE3-CG1 3.93Å; W811-F827 WeakPolarHBondContact CA-O 2.82Å; W811-L828 HydrophobicContact CD2-CD1 3.53Å; W811-L828 HydrophobicContact CE3-CD1 3.95Å; W811-L828 HydrophobicContact CG-CD1 3.98Å; W811-L828 HydrophobicContact CH2-CD1 3.95Å; W811-L828 HydrophobicContact CH2-CD2 3.85Å; W811-L828 HydrophobicContact CH2-CG 4.48Å; W811-L828 HydrophobicContact CZ2-CD1 3.54Å; W811-L828 HydrophobicContact CZ2-CD2 4.06Å; W811-L828 HydrophobicContact CZ2-CG 4.44Å; W811-L828 HydrophobicContact CZ3-CD1 4.16Å; W811-L828 HydrophobicContact CZ3-CD2 4.28Å; W811-I855 HydrophobicContact CE3-CD1 4.27Å; W811-I855 HydrophobicContact CH2-CD1 4.44Å; W811-I855 HydrophobicContact CZ3-CD1 3.56Å
812	I	90	Very high	78.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.3	173.2	-54.5	-178.7	0	0	0	108.6	I797 V826 F827 F829 C834 Y836 I844 V846	I797-I812 HydrophobicContact CG1-CG1 4.35Å; I812-V826 VanDerWaalsContact O-CA 3.25Å; I812-V826 WeakPolarHBondContact O-CA 3.32Å; I812-F827 HydrophobicContact CB-CB 4.49Å; I812-F827 PolarHBondContact N-O 2.85Å; I812-F827 PolarHBondContact O-N 3.31Å; I812-F829 HydrophobicContact CD1-CE2 3.86Å; I812-F829 HydrophobicContact CG1-CE2 4.27Å; I812-C834 HydrophobicContact CD1-CB 4.04Å; I812-C834 HydrophobicContact CG1-CB 4.32Å; I812-Y836 HydrophobicContact CD1-CD1 4.19Å; I812-I844 HydrophobicContact CG2-CD1 3.73Å; I812-V846 HydrophobicContact CD1-CG1 4.1Å; I812-V846 HydrophobicContact CD1-CG2 3.88Å; I812-V846 HydrophobicContact CG2-CG2 4.08Å
813	F	88.4	Confident	78.7	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.3	174.1	-64.9	-104	0	0	0	109.8	L631 L636 Q795 L796 L798 W811 V826 L857	L631-F813 HydrophobicContact CD2-CE1 4.19Å; L631-F813 HydrophobicContact CD2-CZ 4.48Å; L636-F813 HydrophobicContact CD1-CE1 4.28Å; Q795-F813 VanDerWaalsContact CA-O 3.27Å; Q795-F813 WeakPolarHBondContact CA-O 3.36Å; L796-F813 HydrophobicContact CB-CB 4.1Å; L796-F813 HydrophobicContact CD2-CD2 4.15Å; L796-F813 HydrophobicContact CD2-CG 4.46Å; L796-F813 HydrophobicContact CG-CD2 4.32Å; L796-F813 PolarHBondContact N-O 3.45Å; L796-F813 PolarHBondContact O-N 2.87Å; L798-F813 HydrophobicContact CB-CE2 4.24Å; L798-F813 HydrophobicContact CD2-CE2 4.33Å; W811-F813 HydrophobicContact CB-CD2 4.16Å; W811-F813 HydrophobicContact CB-CE2 3.6Å; W811-F813 HydrophobicContact CB-CZ 4.47Å; W811-F813 HydrophobicContact CE3-CZ 4.38Å; W811-F813 HydrophobicContact CG-CE2 4.36Å; F813-V826 HydrophobicContact CD1-CB 4.35Å; F813-V826 HydrophobicContact CD1-CG1 4.04Å; F813-V826 HydrophobicContact CD1-CG2 3.37Å; F813-V826 HydrophobicContact CD2-CG1 4.04Å; F813-V826 HydrophobicContact CE1-CB 4.48Å; F813-V826 HydrophobicContact CE1-CG1 4.02Å; F813-V826 HydrophobicContact CE1-CG2 3.59Å; F813-V826 HydrophobicContact CE2-CG1 4.02Å; F813-V826 HydrophobicContact CG-CG1 4.03Å; F813-V826 HydrophobicContact CG-CG2 4.03Å; F813-V826 HydrophobicContact CZ-CG1 4.01Å; F813-V826 HydrophobicContact CZ-CG2 4.39Å; F813-L857 HydrophobicContact CE1-CD1 4.27Å
814	K	86.2	Confident	79.2	Confident	59 Å²	59	61.7 Å²	61.7	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.5	176.3	-166.5	166.9	-174.2	163.3	0	109.3	Q795 Y824 L825	Q795-K814 HydrophobicContact CG-CG 4.22Å; K814-Y824 WeakPolarHBondContact O-CA 3.39Å; K814-L825 HydrophobicContact CB-CB 4.49Å; K814-L825 PolarHBondContact N-O 3.16Å; K814-L825 PolarHBondContact O-N 2.88Å
815	E	80.6	Confident	80	Confident	27 Å²	27	58.4 Å²	58.4	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.8	176	-167.5	-172.5	154.1	0	0	110.8	R794 Q822 Y824	R794-E815 PolarHBondContact O-N 2.84Å; E815-Q822 HydrophobicContact CG-CG 4.22Å; E815-Q822 PolarHBondContact OE1-NE2 3.39Å; E815-Y824 HydrophobicContact CB-CD1 4.24Å; E815-Y824 HydrophobicContact CB-CE1 4.12Å; E815-Y824 HydrophobicContact CG-CD1 4.3Å; E815-Y824 HydrophobicContact CG-CE1 3.85Å
816	I	78.9	Confident	80.9	Confident	49 Å²	49	55.6 Å²	55.6	25%	0.251	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138	177.6	-7.2	171.9	0	0	0	109	R823 L825	I816-R823 PolarHBondContact N-O 2.75Å; I816-R823 PolarHBondContact O-N 2.97Å; I816-L825 HydrophobicContact CD1-CB 3.83Å; I816-L825 HydrophobicContact CD1-CD1 3.44Å; I816-L825 VanDerWaalsContact CD1-CD1 3.44Å; I816-L825 HydrophobicContact CD1-CG 4.24Å; I816-L825 HydrophobicContact CG1-CB 4.47Å
817	K	70.7	Confident	81.5	Confident	161 Å²	161	48.7 Å²	48.7	70%	0.7	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.5	167.4	-77	-175.5	176.7	-179.7	0	108.6
818	Q	66.9	Low	82.1	Confident	75 Å²	75	47.3 Å²	47.3	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.3	175.2	-141.6	177.4	12.2	0	0	107.2	N820 V821	Q818-N820 VanDerWaalsContact C-N 3.33Å; Q818-N820 PolarHBondContact O-N 3.17Å; Q818-V821 PolarHBondContact N-O 3.46Å; Q818-V821 PolarHBondContact O-N 3.12Å
819	N	65.7	Low	82.3	Confident	154 Å²	154	45.7 Å²	45.7	82%	0.824	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.2	-178.5	-58.4	-6.9	0	0	0	114.3	V821	N819-V821 PolarHBondContact O-N 3.16Å
820	N	70.3	Confident	82.1	Confident	169 Å²	169	46.4 Å²	46.4	90%	0.904	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	4.7	-174.4	-78.2	-18.1	0	0	0	116.4	Q818	Q818-N820 VanDerWaalsContact C-N 3.33Å; Q818-N820 PolarHBondContact O-N 3.17Å
821	V	70.5	Confident	81.8	Confident	75 Å²	75	46.7 Å²	46.7	46%	0.455	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.6	172.2	-175.7	0	0	0	0	109.1	Q818 N819 R823	Q818-V821 PolarHBondContact N-O 3.46Å; Q818-V821 PolarHBondContact O-N 3.12Å; N819-V821 PolarHBondContact O-N 3.16Å; V821-R823 PolarHBondContact O-N 3Å
822	Q	74.9	Confident	81.4	Confident	21 Å²	21	46.7 Å²	46.7	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.7	177.1	-145.4	166.9	2.4	0	0	108.4	E815	E815-Q822 HydrophobicContact CG-CG 4.22Å; E815-Q822 PolarHBondContact OE1-NE2 3.39Å
823	R	81.9	Confident	81.1	Confident	92 Å²	92	47.4 Å²	47.4	35%	0.347	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154	178.7	-76.2	-176.4	171.4	168.9	-4.2	109.9	I816 V821 L857 T858	I816-R823 PolarHBondContact N-O 2.75Å; I816-R823 PolarHBondContact O-N 2.97Å; V821-R823 PolarHBondContact O-N 3Å; R823-L857 CarbonylContact C-O 3.57Å; R823-L857 WeakPolarHBondContact CA-O 3.18Å; R823-T858 HydrophobicContact CG-CG2 3.69Å
824	Y	86.3	Confident	80.7	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.6	175.2	-55.8	-83.7	0	0	0	109	M634 L636 K814 E815 L857 L891	M634-Y824 HydrophobicContact CE-CE2 4.07Å; L636-Y824 HydrophobicContact CD2-CD2 3.71Å; L636-Y824 HydrophobicContact CD2-CE2 3.75Å; K814-Y824 WeakPolarHBondContact O-CA 3.39Å; E815-Y824 HydrophobicContact CB-CD1 4.24Å; E815-Y824 HydrophobicContact CB-CE1 4.12Å; E815-Y824 HydrophobicContact CG-CD1 4.3Å; E815-Y824 HydrophobicContact CG-CE1 3.85Å; Y824-L857 PolarHBondContact N-O 2.96Å; Y824-L857 PolarHBondContact O-N 2.94Å; Y824-L891 HydrophobicContact CD1-CD1 4.47Å; Y824-L891 HydrophobicContact CE1-CD1 3.55Å
825	L	88.5	Confident	80.5	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.246	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.2	162.7	-127.7	97.7	0	0	0	108	K814 I816 F827 I855	K814-L825 HydrophobicContact CB-CB 4.49Å; K814-L825 PolarHBondContact N-O 3.16Å; K814-L825 PolarHBondContact O-N 2.88Å; I816-L825 HydrophobicContact CD1-CB 3.83Å; I816-L825 HydrophobicContact CD1-CD1 3.44Å; I816-L825 VanDerWaalsContact CD1-CD1 3.44Å; I816-L825 HydrophobicContact CD1-CG 4.24Å; I816-L825 HydrophobicContact CG1-CB 4.47Å; L825-F827 HydrophobicContact CD2-CE1 3.96Å; L825-F827 HydrophobicContact CD2-CE2 3.8Å; L825-F827 HydrophobicContact CD2-CZ 3.35Å; L825-I855 CarbonylContact C-O 3.54Å; L825-I855 WeakPolarHBondContact CA-O 3.48Å
826	V	90.6	Very high	80.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	176.8	-161.2	0	0	0	0	110.1	W811 I812 F813 I855 L857	W811-V826 HydrophobicContact CB-CG1 4.32Å; W811-V826 HydrophobicContact CE3-CG1 3.93Å; I812-V826 VanDerWaalsContact O-CA 3.25Å; I812-V826 WeakPolarHBondContact O-CA 3.32Å; F813-V826 HydrophobicContact CD1-CB 4.35Å; F813-V826 HydrophobicContact CD1-CG1 4.04Å; F813-V826 HydrophobicContact CD1-CG2 3.37Å; F813-V826 HydrophobicContact CD2-CG1 4.04Å; F813-V826 HydrophobicContact CE1-CB 4.48Å; F813-V826 HydrophobicContact CE1-CG1 4.02Å; F813-V826 HydrophobicContact CE1-CG2 3.59Å; F813-V826 HydrophobicContact CE2-CG1 4.02Å; F813-V826 HydrophobicContact CG-CG1 4.03Å; F813-V826 HydrophobicContact CG-CG2 4.03Å; F813-V826 HydrophobicContact CZ-CG1 4.01Å; F813-V826 HydrophobicContact CZ-CG2 4.39Å; V826-I855 HydrophobicContact CB-CB 3.97Å; V826-I855 HydrophobicContact CB-CD1 4.38Å; V826-I855 HydrophobicContact CB-CG1 4.41Å; V826-I855 HydrophobicContact CG2-CB 4.44Å; V826-I855 PolarHBondContact N-O 2.87Å; V826-I855 PolarHBondContact O-N 3.32Å; V826-L857 HydrophobicContact CG2-CD1 3.58Å; V826-L857 HydrophobicContact CG2-CG 4.36Å
827	F	91.2	Very high	80.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.1	171.7	-58.4	-81.4	0	0	0	109.2	W811 I812 L825 F829 V846 E848 A851 H854	W811-F827 WeakPolarHBondContact CA-O 2.82Å; I812-F827 HydrophobicContact CB-CB 4.49Å; I812-F827 PolarHBondContact N-O 2.85Å; I812-F827 PolarHBondContact O-N 3.31Å; L825-F827 HydrophobicContact CD2-CE1 3.96Å; L825-F827 HydrophobicContact CD2-CE2 3.8Å; L825-F827 HydrophobicContact CD2-CZ 3.35Å; F827-F829 HydrophobicContact CB-CE2 3.84Å; F827-F829 HydrophobicContact CB-CZ 4.17Å; F827-V846 HydrophobicContact CB-CG1 4.05Å; F827-V846 HydrophobicContact CD1-CG1 4.35Å; F827-V846 HydrophobicContact CD2-CB 4.16Å; F827-V846 HydrophobicContact CD2-CG1 3.84Å; F827-V846 HydrophobicContact CD2-CG2 4.04Å; F827-V846 HydrophobicContact CE2-CB 4.23Å; F827-V846 HydrophobicContact CE2-CG1 4.33Å; F827-V846 HydrophobicContact CE2-CG2 4.22Å; F827-V846 HydrophobicContact CG-CG1 3.82Å; F827-E848 HydrophobicContact CD1-CG 4.34Å; F827-E848 HydrophobicContact CE1-CB 4.19Å; F827-E848 HydrophobicContact CE1-CG 3.56Å; F827-E848 HydrophobicContact CZ-CG 3.81Å; F827-A851 HydrophobicContact CB-CB 4.44Å; F827-A851 HydrophobicContact CD1-CB 4.37Å; F827-H854 AromaticContact CE1-CE1 3.8Å; F827-H854 AromaticContact CE1-ND1 3.73Å
828	L	89.8	Confident	80.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.3	-179.3	-178.5	59.6	0	0	0	110.9	F773 Y809 C810 W811 V852 A853	F773-L828 HydrophobicContact CD1-CD2 4.44Å; F773-L828 HydrophobicContact CE1-CD2 3.77Å; Y809-L828 HydrophobicContact CD1-CD1 3.79Å; Y809-L828 HydrophobicContact CD1-CD2 4.46Å; Y809-L828 HydrophobicContact CD1-CG 4.21Å; Y809-L828 HydrophobicContact CG-CD1 4.25Å; C810-L828 WeakPolarHBondContact O-CA 3.18Å; W811-L828 HydrophobicContact CD2-CD1 3.53Å; W811-L828 HydrophobicContact CE3-CD1 3.95Å; W811-L828 HydrophobicContact CG-CD1 3.98Å; W811-L828 HydrophobicContact CH2-CD1 3.95Å; W811-L828 HydrophobicContact CH2-CD2 3.85Å; W811-L828 HydrophobicContact CH2-CG 4.48Å; W811-L828 HydrophobicContact CZ2-CD1 3.54Å; W811-L828 HydrophobicContact CZ2-CD2 4.06Å; W811-L828 HydrophobicContact CZ2-CG 4.44Å; W811-L828 HydrophobicContact CZ3-CD1 4.16Å; W811-L828 HydrophobicContact CZ3-CD2 4.28Å; L828-V852 PolarHBondContact O-N 3.43Å; L828-A853 HydrophobicContact CB-CB 4.12Å; L828-A853 HydrophobicContact CD2-CB 4.31Å; L828-A853 PolarHBondContact N-O 3.15Å; L828-A853 PolarHBondContact O-N 2.76Å
829	F	88.4	Confident	79.9	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143	173.8	-55.3	-86.2	0	0	0	109.2	Y809 C810 I812 F827 T831 Q835 V846 E850 A851	Y809-F829 CarbonylContact C-O 3.58Å; Y809-F829 VanDerWaalsContact CA-O 3.23Å; Y809-F829 WeakPolarHBondContact CA-O 3.23Å; Y809-F829 WeakPolarHBondContact CD1-O 2.85Å; C810-F829 HydrophobicContact CB-CB 4.38Å; C810-F829 PolarHBondContact N-O 3.48Å; C810-F829 PolarHBondContact O-N 2.72Å; I812-F829 HydrophobicContact CD1-CE2 3.86Å; I812-F829 HydrophobicContact CG1-CE2 4.27Å; F827-F829 HydrophobicContact CB-CE2 3.84Å; F827-F829 HydrophobicContact CB-CZ 4.17Å; F829-T831 HydrophobicContact CB-CG2 4.2Å; F829-T831 PolarHBondContact O-N 2.8Å; F829-Q835 HydrophobicContact CD1-CB 4.02Å; F829-Q835 HydrophobicContact CD1-CG 3.89Å; F829-Q835 HydrophobicContact CE1-CB 3.6Å; F829-Q835 HydrophobicContact CE1-CG 3.98Å; F829-Q835 HydrophobicContact CZ-CB 3.99Å; F829-V846 HydrophobicContact CE2-CG1 4.07Å; F829-V846 HydrophobicContact CZ-CG1 3.66Å; F829-E850 HydrophobicContact CE1-CB 4.26Å; F829-A851 HydrophobicContact CD1-CB 4.38Å; F829-A851 VanDerWaalsContact CE1-CA 3.49Å; F829-A851 HydrophobicContact CE1-CB 3.79Å; F829-A851 HydrophobicContact CZ-CB 4.01Å
830	D	84.1	Confident	79.5	Confident	27 Å²	27	44 Å²	44	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-93.5	33.2	179.3	76.3	-30.3	0	0	0	113.3	Y646 K650 Y808 Y809 V852	Y646-D830 WeakPolarHBondContact CE1-OD2 3.42Å; Y646-D830 VanDerWaalsContact CZ-OD2 3.26Å; Y646-D830 PolarHBondContact OH-OD1 2.92Å; Y646-D830 PolarHBondContact OH-OD2 2.85Å; K650-D830 IonicContact NZ-OD2 3.92Å; K650-D830 PolarHBondContact NZ-OD2 2.79Å; Y808-D830 CarbonylContact O-C 3.57Å; Y809-D830 HydrophobicContact CD1-CB 4.01Å; Y809-D830 HydrophobicContact CE1-CB 3.68Å; D830-V852 HydrophobicContact CB-CG2 4.1Å
831	T	83.4	Confident	79	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	20%	0.199	C	C	.	.	S	Bend	trans	-139	149.4	172.4	170.1	0	0	0	0	106.9	I480 Y808 C810 F829 Q833	I480-T831 PolarHBondContact O-OG1 2.8Å; Y808-T831 PolarHBondContact O-N 2.82Å; C810-T831 VanDerWaalsContact CB-O 3.3Å; C810-T831 WeakPolarHBondContact CB-O 3.42Å; C810-T831 PolarHBondContact N-O 3.13Å; C810-T831 VanDerWaalsContact N-O 3.13Å; F829-T831 HydrophobicContact CB-CG2 4.2Å; F829-T831 PolarHBondContact O-N 2.8Å; T831-Q833 HydrophobicContact CG2-CB 4.36Å; T831-Q833 WeakPolarHBondContact CG2-O 3.13Å; T831-Q833 PolarHBondContact O-N 2.91Å; T831-Q833 PolarHBondContact OG1-N 3.22Å; T831-Q833 VanDerWaalsContact OG1-N 3.14Å
832	P	82.3	Confident	78.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-69.4	-14.3	172	29.9	-30	0	0	0	111.2	I480 I608 V610 I799 C834	I480-P832 HydrophobicContact CB-CG 3.72Å; I480-P832 HydrophobicContact CD1-CG 4.48Å; I480-P832 HydrophobicContact CG2-CG 4.12Å; I608-P832 VanDerWaalsContact CD1-O 3.3Å; I608-P832 WeakPolarHBondContact CD1-O 3.37Å; I608-P832 HydrophobicContact CG2-CB 4.16Å; V610-P832 HydrophobicContact CG2-CB 4.09Å; V610-P832 HydrophobicContact CG2-CG 4Å; I799-P832 WeakPolarHBondContact CD1-O 3.33Å; I799-P832 HydrophobicContact CG2-CB 3.88Å; P832-C834 PolarHBondContact O-N 3.01Å; P832-C834 VanDerWaalsContact O-N 3.08Å
833	Q	84.7	Confident	78.2	Confident	14 Å²	14	36.6 Å²	36.6	7%	0.065	19%	0.189	C	C	.	.	S	Bend	trans	-76.1	94.3	172.8	-49.1	-50.4	-41.6	0	0	110.1	I480 I608 T831 Q835	I480-Q833 VanDerWaalsContact O-CG 3.29Å; I480-Q833 WeakPolarHBondContact O-CG 3.25Å; I480-Q833 PolarHBondContact O-NE2 2.75Å; I480-Q833 VanDerWaalsContact O-NE2 3.09Å; I608-Q833 PolarHBondContact O-NE2 2.88Å; T831-Q833 HydrophobicContact CG2-CB 4.36Å; T831-Q833 WeakPolarHBondContact CG2-O 3.13Å; T831-Q833 PolarHBondContact O-N 2.91Å; T831-Q833 PolarHBondContact OG1-N 3.22Å; T831-Q833 VanDerWaalsContact OG1-N 3.14Å; Q833-Q835 PolarHBondContact O-N 3.26Å
834	C	78.6	Confident	77.9	Confident	12 Å²	12	32.4 Å²	32.4	8%	0.081	17%	0.174	C	C	.	.			trans	-59.1	119.7	172.6	-52.2	0	0	0	0	110.2	I797 C810 I812 P832 Y836	I797-C834 WeakPolarHBondContact CG2-SG 3.04Å; C810-C834 HydrophobicContact CB-CB 4.02Å; C810-C834 WeakPolarHBondContact CB-SG 3.39Å; C810-C834 WeakPolarHBondContact SG-CA 3.46Å; C810-C834 WeakPolarHBondContact SG-CB 3.2Å; C810-C834 CovalentContact SG-SG 2Å; C810-C834 PolarHBondContact SG-SG 3.35Å; I812-C834 HydrophobicContact CD1-CB 4.04Å; I812-C834 HydrophobicContact CG1-CB 4.32Å; P832-C834 PolarHBondContact O-N 3.01Å; P832-C834 VanDerWaalsContact O-N 3.08Å; C834-Y836 HydrophobicContact CB-CD1 3.56Å; C834-Y836 HydrophobicContact CB-CE1 3.69Å; C834-Y836 VanDerWaalsContact O-CD1 3.23Å; C834-Y836 WeakPolarHBondContact O-CD1 3.47Å; C834-Y836 PolarHBondContact O-N 3.06Å
835	Q	82.5	Confident	77.6	Confident	57 Å²	57	38 Å²	38	27%	0.266	20%	0.201	S	C	.	.			trans	-80.5	89.3	-177.2	-62	-71	-3.4	0	0	110.5	F829 Q833 N847 E850	F829-Q835 HydrophobicContact CD1-CB 4.02Å; F829-Q835 HydrophobicContact CD1-CG 3.89Å; F829-Q835 HydrophobicContact CE1-CB 3.6Å; F829-Q835 HydrophobicContact CE1-CG 3.98Å; F829-Q835 HydrophobicContact CZ-CB 3.99Å; Q833-Q835 PolarHBondContact O-N 3.26Å; Q835-N847 HydrophobicContact CB-CB 4.07Å; Q835-N847 PolarHBondContact O-N 3.26Å; Q835-E850 HydrophobicContact CB-CB 4.45Å; Q835-E850 HydrophobicContact CG-CB 4.19Å; Q835-E850 WeakPolarHBondContact CG-OE2 3.41Å; Q835-E850 PolarHBondContact NE2-OE2 3.38Å; Q835-E850 PolarHBondContact OE1-OE2 2.9Å
836	Y	79.6	Confident	77.3	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161	177.4	73	-90	0	0	0	112.6	N605 I797 I812 C834 R838 I844 Q845	N605-Y836 PolarHBondContact ND2-O 3.39Å; I797-Y836 HydrophobicContact CD1-CD1 4.26Å; I797-Y836 HydrophobicContact CD1-CE1 3.67Å; I812-Y836 HydrophobicContact CD1-CD1 4.19Å; C834-Y836 HydrophobicContact CB-CD1 3.56Å; C834-Y836 HydrophobicContact CB-CE1 3.69Å; C834-Y836 VanDerWaalsContact O-CD1 3.23Å; C834-Y836 WeakPolarHBondContact O-CD1 3.47Å; C834-Y836 PolarHBondContact O-N 3.06Å; Y836-R838 HydrophobicContact CE2-CB 4.49Å; Y836-I844 HydrophobicContact CD2-CB 3.7Å; Y836-I844 HydrophobicContact CD2-CD1 4.5Å; Y836-I844 HydrophobicContact CD2-CG2 3.57Å; Y836-I844 HydrophobicContact CE2-CB 4.39Å; Y836-I844 HydrophobicContact CE2-CG2 3.75Å; Y836-I844 HydrophobicContact CG-CB 4.26Å; Y836-I844 HydrophobicContact CG-CD1 4.44Å; Y836-I844 HydrophobicContact CG-CG2 4.44Å; Y836-Q845 CarbonylContact C-O 3.51Å; Y836-Q845 VanDerWaalsContact CA-O 3.27Å; Y836-Q845 WeakPolarHBondContact CA-O 3.26Å
837	H	73.2	Confident	76.9	Confident	85 Å²	85	39.3 Å²	39.3	39%	0.394	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.4	168.9	-71.6	-59.9	0	0	0	110.2	N605 I844 Q845	N605-H837 PolarHBondContact ND2-CE1 2.88Å; N605-H837 VanDerWaalsContact ND2-CE1 3.32Å; N605-H837 PolarHBondContact ND2-ND1 2.81Å; N605-H837 PolarHBondContact OD1-ND1 2.83Å; H837-I844 CarbonylContact O-C 3.53Å; H837-I844 WeakPolarHBondContact O-CA 3.43Å; H837-Q845 PolarHBondContact N-O 3.27Å; H837-Q845 PolarHBondContact O-N 3.15Å
838	R	68.6	Low	76.4	Confident	100 Å²	100	43.8 Å²	43.8	38%	0.377	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.4	175.4	-151	173.6	-157.3	155	4.1	109.3	E570 Y836 I844	E570-R838 IonicContact OE1-NH1 2.87Å; Y836-R838 HydrophobicContact CE2-CB 4.49Å; R838-I844 HydrophobicContact CG-CG2 4.39Å
839	L	63.6	Low	75.7	Confident	70 Å²	70	50.8 Å²	50.8	37%	0.366	26%	0.262	S	S	.	.			trans	-83	158.3	177.5	-63.4	174.9	0	0	0	110.4	S841 G842 D843	L839-S841 PolarHBondContact O-N 2.73Å; L839-G842 WeakPolarHBondContact O-CA 3.42Å; L839-G842 PolarHBondContact O-N 3.01Å; L839-D843 HydrophobicContact CD1-CB 4.48Å; L839-D843 PolarHBondContact N-O 3.26Å
840	P	56.4	Low	75.2	Confident	125 Å²	125	53.9 Å²	53.9	81%	0.812	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.3	175.4	-25.8	34.5	0	0	0	114	G842	P840-G842 PolarHBondContact O-N 2.98Å
841	S	60.1	Low	75.2	Confident	55 Å²	55	52.8 Å²	52.8	39%	0.385	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.1	173.2	58.6	0	0	0	0	114	V788 L839 D843	V788-S841 CarbonylContact C-O 3.41Å; V788-S841 WeakPolarHBondContact CA-O 3.07Å; V788-S841 PolarHBondContact N-O 2.82Å; L839-S841 PolarHBondContact O-N 2.73Å; S841-D843 PolarHBondContact O-N 2.74Å
842	G	61.4	Low	75.3	Confident	14 Å²	14	52.6 Å²	52.6	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	78.9	-2.3	-172.8	0	0	0	0	0	114.7	L839 P840	L839-G842 WeakPolarHBondContact O-CA 3.42Å; L839-G842 PolarHBondContact O-N 3.01Å; P840-G842 PolarHBondContact O-N 2.98Å
843	D	67.3	Low	75.5	Confident	40 Å²	40	52.6 Å²	52.6	21%	0.214	27%	0.269	C	S	.	.			trans	-76.9	162.3	173.2	-156.3	-5.1	0	0	0	110.7	P787 Q795 L839 S841	P787-D843 HydrophobicContact CB-CB 4.07Å; Q795-D843 PolarHBondContact NE2-OD1 2.92Å; L839-D843 HydrophobicContact CD1-CB 4.48Å; L839-D843 PolarHBondContact N-O 3.26Å; S841-D843 PolarHBondContact O-N 2.74Å
844	I	75.3	Confident	75.7	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.6	176.6	79.6	-166.4	0	0	0	112.4	I785 Q795 I812 Y836 H837 R838 V846	I785-I844 HydrophobicContact CD1-CD1 4.16Å; I785-I844 HydrophobicContact CD1-CG2 3.68Å; I785-I844 HydrophobicContact CG2-CG2 4.27Å; Q795-I844 HydrophobicContact CG-CD1 4.46Å; I812-I844 HydrophobicContact CG2-CD1 3.73Å; Y836-I844 HydrophobicContact CD2-CB 3.7Å; Y836-I844 HydrophobicContact CD2-CD1 4.5Å; Y836-I844 HydrophobicContact CD2-CG2 3.57Å; Y836-I844 HydrophobicContact CE2-CB 4.39Å; Y836-I844 HydrophobicContact CE2-CG2 3.75Å; Y836-I844 HydrophobicContact CG-CB 4.26Å; Y836-I844 HydrophobicContact CG-CD1 4.44Å; Y836-I844 HydrophobicContact CG-CG2 4.44Å; H837-I844 CarbonylContact O-C 3.53Å; H837-I844 WeakPolarHBondContact O-CA 3.43Å; R838-I844 HydrophobicContact CG-CG2 4.39Å; I844-V846 HydrophobicContact CD1-CG2 4.29Å; I844-V846 HydrophobicContact CG1-CG2 4.17Å
845	Q	79.5	Confident	76.3	Confident	123 Å²	123	53.7 Å²	53.7	58%	0.575	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.5	167.1	-173.1	173.5	9.8	0	0	108.7	Y836 H837	Y836-Q845 CarbonylContact C-O 3.51Å; Y836-Q845 VanDerWaalsContact CA-O 3.27Å; Y836-Q845 WeakPolarHBondContact CA-O 3.26Å; H837-Q845 PolarHBondContact N-O 3.27Å; H837-Q845 PolarHBondContact O-N 3.15Å
846	V	81.9	Confident	76.6	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.3	-178.9	-176.9	0	0	0	0	109.6	I812 F827 F829 I844 E848	I812-V846 HydrophobicContact CD1-CG1 4.1Å; I812-V846 HydrophobicContact CD1-CG2 3.88Å; I812-V846 HydrophobicContact CG2-CG2 4.08Å; F827-V846 HydrophobicContact CB-CG1 4.05Å; F827-V846 HydrophobicContact CD1-CG1 4.35Å; F827-V846 HydrophobicContact CD2-CB 4.16Å; F827-V846 HydrophobicContact CD2-CG1 3.84Å; F827-V846 HydrophobicContact CD2-CG2 4.04Å; F827-V846 HydrophobicContact CE2-CB 4.23Å; F827-V846 HydrophobicContact CE2-CG1 4.33Å; F827-V846 HydrophobicContact CE2-CG2 4.22Å; F827-V846 HydrophobicContact CG-CG1 3.82Å; F829-V846 HydrophobicContact CE2-CG1 4.07Å; F829-V846 HydrophobicContact CZ-CG1 3.66Å; I844-V846 HydrophobicContact CD1-CG2 4.29Å; I844-V846 HydrophobicContact CG1-CG2 4.17Å; V846-E848 PolarHBondContact O-N 2.83Å; V846-E848 VanDerWaalsContact O-N 3.12Å
847	N	82.5	Confident	77	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	28%	0.275	S	S	.	.			trans	-80.6	86.8	169.4	-173.5	-1.5	0	0	0	109.4	Q835 E849 E850	Q835-N847 HydrophobicContact CB-CB 4.07Å; Q835-N847 PolarHBondContact O-N 3.26Å; N847-E849 PolarHBondContact O-N 3.07Å; N847-E849 PolarHBondContact OD1-N 2.81Å; N847-E850 PolarHBondContact O-N 2.73Å
848	E	81.5	Confident	77.6	Confident	98 Å²	98	50.6 Å²	50.6	46%	0.458	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.5	-176.1	-59.7	-171.4	178.4	0	0	113.4	F827 V846 E850 A851 H854	F827-E848 HydrophobicContact CD1-CG 4.34Å; F827-E848 HydrophobicContact CE1-CB 4.19Å; F827-E848 HydrophobicContact CE1-CG 3.56Å; F827-E848 HydrophobicContact CZ-CG 3.81Å; V846-E848 PolarHBondContact O-N 2.83Å; V846-E848 VanDerWaalsContact O-N 3.12Å; E848-E850 VanDerWaalsContact C-N 3.34Å; E848-A851 WeakPolarHBondContact O-CB 3.16Å; E848-A851 PolarHBondContact O-N 2.94Å; E848-H854 PolarHBondContact O-NE2 3.44Å
849	E	75.5	Confident	78.1	Confident	147 Å²	147	48 Å²	48	69%	0.687	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-72.2	-29.2	-178	-63.5	-171	177.1	0	0	112.5	K732 N847 A851	K732-E849 PolarHBondContact NZ-O 2.8Å; N847-E849 PolarHBondContact O-N 3.07Å; N847-E849 PolarHBondContact OD1-N 2.81Å; E849-A851 VanDerWaalsContact C-N 3.33Å
850	E	78.1	Confident	78.7	Confident	69 Å²	69	45.5 Å²	45.5	32%	0.322	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-87.2	-4.4	177.7	-70.4	-165.2	178	0	0	113.2	F829 Q835 N847 E848	F829-E850 HydrophobicContact CE1-CB 4.26Å; Q835-E850 HydrophobicContact CB-CB 4.45Å; Q835-E850 HydrophobicContact CG-CB 4.19Å; Q835-E850 WeakPolarHBondContact CG-OE2 3.41Å; Q835-E850 PolarHBondContact NE2-OE2 3.38Å; Q835-E850 PolarHBondContact OE1-OE2 2.9Å; N847-E850 PolarHBondContact O-N 2.73Å; E848-E850 VanDerWaalsContact C-N 3.34Å
851	A	83.4	Confident	79.1	Confident	3 Å²	3	45 Å²	45	3%	0.025	25%	0.249	C	C	.	.			trans	-69.7	135.6	178.4	0	0	0	0	0	111.3	F827 F829 E848 E849	F827-A851 HydrophobicContact CB-CB 4.44Å; F827-A851 HydrophobicContact CD1-CB 4.37Å; F829-A851 HydrophobicContact CD1-CB 4.38Å; F829-A851 VanDerWaalsContact CE1-CA 3.49Å; F829-A851 HydrophobicContact CE1-CB 3.79Å; F829-A851 HydrophobicContact CZ-CB 4.01Å; E848-A851 WeakPolarHBondContact O-CB 3.16Å; E848-A851 PolarHBondContact O-N 2.94Å; E849-A851 VanDerWaalsContact C-N 3.33Å
852	V	85	Confident	79.1	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.018	24%	0.239	C	C	.	.	S	Bend	trans	-74.8	-35.6	174.9	-178.7	0	0	0	0	110.5	N643 Y646 L828 D830	N643-V852 WeakPolarHBondContact CB-O 3.47Å; N643-V852 PolarHBondContact N-O 2.86Å; Y646-V852 HydrophobicContact CD1-CB 4.17Å; Y646-V852 HydrophobicContact CD1-CG1 3.54Å; Y646-V852 HydrophobicContact CD1-CG2 3.71Å; Y646-V852 HydrophobicContact CE1-CB 4.36Å; Y646-V852 HydrophobicContact CE1-CG1 3.95Å; Y646-V852 HydrophobicContact CE1-CG2 3.48Å; Y646-V852 VanDerWaalsContact CE1-CG2 3.48Å; Y646-V852 HydrophobicContact CE2-CG2 4.39Å; Y646-V852 HydrophobicContact CG-CG1 4.34Å; Y646-V852 HydrophobicContact CG-CG2 4.25Å; L828-V852 PolarHBondContact O-N 3.43Å; D830-V852 HydrophobicContact CB-CG2 4.1Å
853	A	86.8	Confident	78.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.7	175.9	0	0	0	0	0	112.6	M640 N641 I642 L828	M640-A853 HydrophobicContact CG-CB 4.02Å; M640-A853 HydrophobicContact SD-CB 4.21Å; N641-A853 CarbonylContact O-C 3.55Å; N641-A853 VanDerWaalsContact O-CA 3.23Å; N641-A853 WeakPolarHBondContact O-CA 3.15Å; I642-A853 HydrophobicContact CG1-CB 4.25Å; L828-A853 HydrophobicContact CB-CB 4.12Å; L828-A853 HydrophobicContact CD2-CB 4.31Å; L828-A853 PolarHBondContact N-O 3.15Å; L828-A853 PolarHBondContact O-N 2.76Å
854	H	89.6	Confident	77.8	Confident	46 Å²	46	50.3 Å²	50.3	21%	0.213	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.9	174	-72.1	-135.7	0	0	0	108	N641 F827 E848	N641-H854 HydrophobicContact CB-CB 4.45Å; N641-H854 PolarHBondContact N-O 3.03Å; N641-H854 PolarHBondContact O-N 3.13Å; F827-H854 AromaticContact CE1-CE1 3.8Å; F827-H854 AromaticContact CE1-ND1 3.73Å; E848-H854 PolarHBondContact O-NE2 3.44Å
855	I	89.7	Confident	76.4	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	-171.6	-40.9	176.6	0	0	0	109.4	T639 M640 I739 W811 L825 V826 L857	T639-I855 CarbonylContact O-C 3.36Å; T639-I855 WeakPolarHBondContact O-CA 3.46Å; T639-I855 WeakPolarHBondContact O-CG2 2.84Å; M640-I855 HydrophobicContact CB-CG1 4.16Å; M640-I855 HydrophobicContact CB-CG2 4.15Å; M640-I855 HydrophobicContact CG-CD1 4.28Å; M640-I855 HydrophobicContact CG-CG1 3.93Å; M640-I855 HydrophobicContact SD-CD1 3.98Å; M640-I855 HydrophobicContact SD-CG1 4.28Å; I739-I855 HydrophobicContact CD1-CD1 4.35Å; I739-I855 HydrophobicContact CG2-CG2 3.75Å; W811-I855 HydrophobicContact CE3-CD1 4.27Å; W811-I855 HydrophobicContact CH2-CD1 4.44Å; W811-I855 HydrophobicContact CZ3-CD1 3.56Å; L825-I855 CarbonylContact C-O 3.54Å; L825-I855 WeakPolarHBondContact CA-O 3.48Å; V826-I855 HydrophobicContact CB-CB 3.97Å; V826-I855 HydrophobicContact CB-CD1 4.38Å; V826-I855 HydrophobicContact CB-CG1 4.41Å; V826-I855 HydrophobicContact CG2-CB 4.44Å; V826-I855 PolarHBondContact N-O 2.87Å; V826-I855 PolarHBondContact O-N 3.32Å; I855-L857 HydrophobicContact CG2-CD1 4.21Å; I855-L857 HydrophobicContact CG2-CD2 3.68Å; I855-L857 HydrophobicContact CG2-CG 3.76Å
856	S	89.3	Confident	74.4	Confident	48 Å²	48	48.7 Å²	48.7	34%	0.336	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116	174.3	175.2	0	0	0	0	109	G638 T639	G638-S856 VanDerWaalsContact CA-O 3.3Å; G638-S856 WeakPolarHBondContact CA-O 3.31Å; T639-S856 PolarHBondContact N-O 3.14Å; T639-S856 PolarHBondContact O-N 3.37Å
857	L	88.2	Confident	72.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.3	-173.8	-58.7	168.5	0	0	0	112.4	L636 I637 I739 L741 F813 R823 Y824 V826 I855	L636-L857 HydrophobicContact CB-CB 4.23Å; L636-L857 HydrophobicContact CB-CD1 4.08Å; L636-L857 HydrophobicContact CB-CD2 4.41Å; L636-L857 HydrophobicContact CB-CG 4.48Å; L636-L857 HydrophobicContact CD1-CD1 3.96Å; I637-L857 CarbonylContact O-C 3.55Å; I637-L857 WeakPolarHBondContact O-CA 3.41Å; I739-L857 HydrophobicContact CG2-CD2 3.82Å; L741-L857 HydrophobicContact CD1-CD1 3.44Å; L741-L857 VanDerWaalsContact CD1-CD1 3.44Å; L741-L857 HydrophobicContact CD1-CD2 4.06Å; L741-L857 HydrophobicContact CD1-CG 4.38Å; F813-L857 HydrophobicContact CE1-CD1 4.27Å; R823-L857 CarbonylContact C-O 3.57Å; R823-L857 WeakPolarHBondContact CA-O 3.18Å; Y824-L857 PolarHBondContact N-O 2.96Å; Y824-L857 PolarHBondContact O-N 2.94Å; V826-L857 HydrophobicContact CG2-CD1 3.58Å; V826-L857 HydrophobicContact CG2-CG 4.36Å; I855-L857 HydrophobicContact CG2-CD1 4.21Å; I855-L857 HydrophobicContact CG2-CD2 3.68Å; I855-L857 HydrophobicContact CG2-CG 3.76Å
858	T	86.3	Confident	69.8	Low	41 Å²	41	62.9 Å²	62.9	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.3	171.1	47.5	0	0	0	0	109.9	L636 I637 R823 A860	L636-T858 WeakPolarHBondContact CA-O 3.1Å; I637-T858 PolarHBondContact N-O 2.93Å; I637-T858 PolarHBondContact O-N 2.77Å; I637-T858 PolarHBondContact O-OG1 2.93Å; I637-T858 VanDerWaalsContact O-OG1 3.13Å; R823-T858 HydrophobicContact CG-CG2 3.69Å; T858-A860 PolarHBondContact O-N 3.05Å
859	S	79.7	Confident	67.4	Low	46 Å²	46	62.6 Å²	62.6	32%	0.322	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.6	174.2	65.5	0	0	0	0	110.9
860	A	75	Confident	65.2	Low	16 Å²	16	60.8 Å²	60.8	13%	0.132	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	163.1	168.4	0	0	0	0	0	111.5	R635 I637 T858 C862	R635-A860 HydrophobicContact CB-CB 4.35Å; R635-A860 HydrophobicContact CG-CB 4.22Å; R635-A860 PolarHBondContact O-N 3.11Å; I637-A860 HydrophobicContact CD1-CB 3.68Å; I637-A860 HydrophobicContact CG1-CB 3.82Å; I637-A860 HydrophobicContact CG2-CB 4.22Å; T858-A860 PolarHBondContact O-N 3.05Å; A860-C862 PolarHBondContact O-N 3.09Å
861	T	64.8	Low	62.9	Low	114 Å²	114	66.2 Å²	66.2	70%	0.699	36%	0.359	S	S	*	.			trans	-65.9	124	165.4	40.5	0	0	0	0	109.4	I863	T861-I863 PolarHBondContact O-N 2.03Å; T861-I863 VanDerWaalsContact O-N 3.12Å
862	C	59.8	Low	60.3	Low	27 Å²	27	74 Å²	74	18%	0.182	40%	0.399	C	S	.	.			trans	-67.2	107.5	172.9	179.3	0	0	0	0	108.7	R635 A860 N864 C865	R635-C862 HydrophobicContact CB-CB 4.44Å; A860-C862 PolarHBondContact O-N 3.09Å; C862-N864 PolarHBondContact O-N 2.73Å; C862-C865 HydrophobicContact CB-CB 3.63Å; C862-C865 WeakPolarHBondContact CB-SG 3.31Å; C862-C865 WeakPolarHBondContact SG-CB 3.41Å; C862-C865 PolarHBondContact SG-N 3.41Å; C862-C865 CovalentContact SG-SG 2.04Å; C862-C865 PolarHBondContact SG-SG 3.31Å
863	I	52.2	Low	57.6	Low	125 Å²	125	78.6 Å²	78.6	64%	0.641	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	-175.7	-66.3	179.4	0	0	0	111.8	T861	T861-I863 PolarHBondContact O-N 2.03Å; T861-I863 VanDerWaalsContact O-N 3.12Å
864	N	49.1	Very low	54.7	Low	69 Å²	69	88.1 Å²	88.1	37%	0.369	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	13	-173.4	-65	-34.9	0	0	0	114.5	F744 R746 C862	F744-N864 HydrophobicContact CE1-CB 4.36Å; F744-N864 WeakPolarHBondContact CE1-O 3.45Å; F744-N864 WeakPolarHBondContact CZ-O 3.42Å; R746-N864 VanDerWaalsContact NH1-CG 3.31Å; R746-N864 PolarHBondContact NH1-ND2 3.22Å; R746-N864 VanDerWaalsContact NH1-ND2 3.17Å; R746-N864 PolarHBondContact NH1-OD1 2.03Å; R746-N864 PolarHBondContact NH2-OD1 2.83Å; C862-N864 PolarHBondContact O-N 2.73Å
865	C	46.7	Very low	51.6	Low	26 Å²	26	94.1 Å²	94.1	18%	0.176	50%	0.502	C	S	.	.	S	Bend	trans	-84.8	129.9	173.5	-68.4	0	0	0	0	108.2	C862 F867	C862-C865 HydrophobicContact CB-CB 3.63Å; C862-C865 WeakPolarHBondContact CB-SG 3.31Å; C862-C865 WeakPolarHBondContact SG-CB 3.41Å; C862-C865 PolarHBondContact SG-N 3.41Å; C862-C865 CovalentContact SG-SG 2.04Å; C862-C865 PolarHBondContact SG-SG 3.31Å; C865-F867 PolarHBondContact O-N 2.99Å; C865-F867 VanDerWaalsContact O-N 3.12Å
866	P	38.1	Very low	48.5	Very low	68 Å²	68	105.2 Å²	105.2	44%	0.442	55%	0.545	S	S	.	.			trans	-62.9	120.9	178.1	17.5	-21.3	0	0	0	109.3	S750 K868	S750-P866 WeakPolarHBondContact O-CG 3.45Å; P866-K868 PolarHBondContact O-N 2.82Å
867	F	35.5	Very low	45.5	Very low	198 Å²	198	108 Å²	108	87%	0.868	56%	0.564	S	S	*	*			trans	-63	106.9	162	-95.5	-91.8	0	0	0	106.8	C865 S869	C865-F867 PolarHBondContact O-N 2.99Å; C865-F867 VanDerWaalsContact O-N 3.12Å; F867-S869 PolarHBondContact O-N 3.16Å
868	K	32.2	Very low	42.6	Very low	172 Å²	172	115.4 Å²	115.4	75%	0.748	60%	0.604	S	S	*	*			trans	-69.1	86.3	160	-87.7	-166.7	169.2	-157.9	0	108.1	P866 D870	P866-K868 PolarHBondContact O-N 2.82Å; K868-D870 VanDerWaalsContact C-N 3.32Å; K868-D870 PolarHBondContact O-N 2.92Å
869	S	30.2	Very low	39.7	Very low	93 Å²	93	120.3 Å²	120.3	65%	0.65	63%	0.629	S	S	*	*			trans	-78.9	91.8	144.1	49.8	0	0	0	0	106	F867 E871	F867-S869 PolarHBondContact O-N 3.16Å; S869-E871 VanDerWaalsContact C-N 3.29Å; S869-E871 PolarHBondContact O-N 2.86Å
870	D	29.1	Very low	37.3	Very low	109 Å²	109	124.9 Å²	124.9	58%	0.583	65%	0.65	S	S	*	*			trans	-67.6	94.8	167	-78.4	-31.7	0	0	0	107.1	K868 N872	K868-D870 VanDerWaalsContact C-N 3.32Å; K868-D870 PolarHBondContact O-N 2.92Å; D870-N872 PolarHBondContact O-N 3.33Å
871	E	30	Very low	34.9	Very low	183 Å²	183	130.6 Å²	130.6	86%	0.855	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	12.1	172.6	-85.2	-174.5	157.9	0	0	113.5	S869	S869-E871 VanDerWaalsContact C-N 3.29Å; S869-E871 PolarHBondContact O-N 2.86Å
872	N	29.1	Very low	33	Very low	165 Å²	165	132.1 Å²	132.1	88%	0.882	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	30.4	-179.2	-80.7	-26.5	0	0	0	114.5	D870	D870-N872 PolarHBondContact O-N 3.33Å
873	S	29.1	Very low	31.4	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	71%	0.713	S	S	*	*	S	Bend	trans	-97.9	108	160.7	59.5	0	0	0	0	109.5	E875	S873-E875 PolarHBondContact O-N 3.37Å
874	K	25.9	Very low	30.1	Very low	200 Å²	200	142.3 Å²	142.3	87%	0.87	73%	0.726	S	S	*	*			trans	-45.2	131.4	172.6	-73.3	177.9	173.5	-179.5	0	111.1
875	E	23.9	Very low	28.9	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	75%	0.746	S	S	*	*			trans	13.4	109.6	152.4	-69.3	174.3	139.3	0	0	116.9	S873	S873-E875 PolarHBondContact O-N 3.37Å
876	Y	24.5	Very low	27.9	Very low	235 Å²	235	153.7 Å²	153.7	92%	0.922	78%	0.776	S	S	*	*				-130.5	101.2	128.5	-98.1	-85.5	0	0	0	107.7	N878	Y876-N878 PolarHBondContact O-N 2.85Å
877	S	25.8	Very low	27.3	Very low	107 Å²	107	161.6 Å²	161.6	75%	0.748	80%	0.797	S	S	*	*			trans	-64.3	119.9	160.5	50.9	0	0	0	0	108.4
878	N	27.9	Very low	26.9	Very low	157 Å²	157	156.2 Å²	156.2	84%	0.84	78%	0.781	S	S	*	*			trans	-159.5	131.4	132.9	-122.2	-18.9	0	0	0	112.3	Y876	Y876-N878 PolarHBondContact O-N 2.85Å
879	N	25.6	Very low	27.1	Very low	143 Å²	143	152.5 Å²	152.5	77%	0.765	77%	0.77	S	S	*	*			trans	-53.5	131.9	173.7	-75.9	-32.5	0	0	0	112
880	N	28.6	Very low	27.4	Very low	143 Å²	143	152.6 Å²	152.6	77%	0.765	76%	0.762	S	S	*	*				172.1	117.4	120.3	-89.8	-24	0	0	0	112.3
881	N	25.1	Very low	27.8	Very low	135 Å²	135	148.7 Å²	148.7	72%	0.722	74%	0.741	S	S	*	*			trans	46.1	118.5	136.8	-64.9	-17	0	0	0	120.9
882	N	25.2	Very low	28	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	74%	0.737	S	S	*	*			trans	46.9	75.1	135.6	-62.9	-13.8	0	0	0	116.6
883	N	25.2	Very low	28.3	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	70%	0.704	S	S	*	*			trans	174.1	100.8	144.7	-92.2	-29.8	0	0	0	110.6
884	K	25.2	Very low	28.4	Very low	209 Å²	209	145 Å²	145	91%	0.909	70%	0.699	S	S	*	*			trans	-168	70.3	149.1	-108.2	160	-170.7	171.2	0	111.6
885	L	23.5	Very low	28.5	Very low	150 Å²	150	139.4 Å²	139.4	79%	0.785	68%	0.682	S	S	*	*			trans	-68	129.3	150.3	-106.1	92.2	0	0	0	109.1
886	K	26.2	Very low	28.8	Very low	184 Å²	184	138 Å²	138	80%	0.8	68%	0.68	S	S	*	*			trans	59.7	100.6	146.7	-59.8	179.6	-179.6	176.7	0	117.9
887	R	24.7	Very low	29.2	Very low	234 Å²	234	131.3 Å²	131.3	88%	0.883	66%	0.657	S	S	*	*			trans	-79.9	122.9	144.1	-82.7	-177.3	174.8	167	-2	107.7
888	P	28.8	Very low	29.7	Very low	85 Å²	85	129 Å²	129	55%	0.552	64%	0.636	S	S	*	*			trans	-65.8	142.5	174.3	1.6	10.2	0	0	0	109.5	I890	P888-I890 PolarHBondContact O-N 3.38Å
889	N	34.8	Very low	30	Very low	93 Å²	93	130 Å²	130	50%	0.497	63%	0.633	S	S	.	*			trans	-66.2	83.3	170	-76.3	-22.9	0	0	0	109.2	M634	M634-N889 HydrophobicContact CE-CB 4.47Å; M634-N889 WeakPolarHBondContact CE-O 3Å
890	I	36.4	Very low	30.5	Very low	96 Å²	96	129.8 Å²	129.8	49%	0.492	63%	0.627	S	S	.	*			trans	-74.6	134.2	170.4	-62.4	163.9	0	0	0	107.2	P888 R892	P888-I890 PolarHBondContact O-N 3.38Å; I890-R892 PolarHBondContact O-N 3.08Å
891	L	37.6	Very low	30.9	Very low	26 Å²	26	128.3 Å²	128.3	14%	0.136	62%	0.616	C	S	.	*			trans	-42.7	101.9	165.2	-106.2	148.7	0	0	0	109.7	G630 M634 Y824 I893	G630-L891 WeakPolarHBondContact O-CD2 3.48Å; M634-L891 HydrophobicContact SD-CG 4.04Å; Y824-L891 HydrophobicContact CD1-CD1 4.47Å; Y824-L891 HydrophobicContact CE1-CD1 3.55Å; L891-I893 PolarHBondContact O-N 3.27Å
892	R	34.9	Very low	31.5	Very low	208 Å²	208	129.2 Å²	129.2	79%	0.785	61%	0.609	S	S	*	*			trans	-76.3	96.3	-173.4	-93.8	-175.3	175.6	169.8	0.3	109.4	I890	I890-R892 PolarHBondContact O-N 3.08Å
893	I	35.6	Very low	32.2	Very low	35 Å²	35	127.4 Å²	127.4	18%	0.179	60%	0.596	C	S	.	*			trans	-89.8	119.8	162.9	-55.1	-173.8	0	0	0	107.5	I557 L891 T895	I557-I893 HydrophobicContact CD1-CG2 4.33Å; L891-I893 PolarHBondContact O-N 3.27Å; I893-T895 PolarHBondContact O-N 3Å
894	Q	31.3	Very low	32.8	Very low	128 Å²	128	123.1 Å²	123.1	60%	0.598	58%	0.579	S	S	*	*			trans	-64.3	114.9	169.4	-83.9	-173.8	-21.7	0	0	109.4	R559	R559-Q894 VanDerWaalsContact CZ-OE1 3.23Å
895	T	28.6	Very low	33.6	Very low	83 Å²	83	116.5 Å²	116.5	51%	0.509	56%	0.559	S	S	.	*			trans	-87.3	3.4	-164.6	31.4	0	0	0	0	115.9	I893 Q897	I893-T895 PolarHBondContact O-N 3Å; T895-Q897 PolarHBondContact O-N 3.13Å
896	N	28.7	Very low	34.4	Very low	144 Å²	144	114.4 Å²	114.4	77%	0.77	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9	-160.8	-73.1	-5.1	0	0	0	117
897	Q	33.9	Very low	35.2	Very low	94 Å²	94	113.8 Å²	113.8	44%	0.439	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.3	178	-77.5	-175.5	-18	0	0	115.3	T895 K899 Q900 Q901	T895-Q897 PolarHBondContact O-N 3.13Å; Q897-K899 VanDerWaalsContact C-N 3.29Å; Q897-K899 PolarHBondContact O-N 3.18Å; Q897-Q900 PolarHBondContact O-N 2.82Å; Q897-Q901 PolarHBondContact O-N 2.71Å
898	L	35.3	Very low	36	Very low	59 Å²	59	105.3 Å²	105.3	31%	0.309	52%	0.518	S	S	.	.	H	α-helix	trans	-70.6	-19	-177.1	-86.5	157.5	0	0	0	114.2	Q900 R902	L898-Q900 VanDerWaalsContact C-N 3.34Å; L898-R902 WeakPolarHBondContact O-CB 3.22Å; L898-R902 PolarHBondContact O-N 2.91Å; L898-R902 VanDerWaalsContact O-N 3.1Å
899	K	35.4	Very low	36.6	Very low	177 Å²	177	106.5 Å²	106.5	77%	0.77	52%	0.519	S	S	*	.	H	α-helix	trans	-66.3	-34.5	172	-98.9	-177.8	175.3	-179.9	0	112.3	Q897 Q903	Q897-K899 VanDerWaalsContact C-N 3.29Å; Q897-K899 PolarHBondContact O-N 3.18Å; K899-Q903 WeakPolarHBondContact O-CG 3.36Å; K899-Q903 PolarHBondContact O-N 2.85Å
900	Q	35.7	Very low	36.9	Very low	139 Å²	139	110.3 Å²	110.3	65%	0.65	53%	0.526	S	S	*	.	H	α-helix	trans	-77.7	-37.2	177.6	-82.3	177.2	-17.9	0	0	112.3	Q897 L898 Q903 S904	Q897-Q900 PolarHBondContact O-N 2.82Å; L898-Q900 VanDerWaalsContact C-N 3.34Å; Q900-Q903 PolarHBondContact O-N 2.98Å; Q900-S904 PolarHBondContact O-N 2.88Å; Q900-S904 PolarHBondContact O-OG 3.18Å
901	Q	36.5	Very low	37.3	Very low	111 Å²	111	111.3 Å²	111.3	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-71	-35.1	179	-137.3	175.2	0.4	0	0	112.8	Q897 Q903 S904 S905	Q897-Q901 PolarHBondContact O-N 2.71Å; Q901-Q903 VanDerWaalsContact C-N 3.35Å; Q901-S904 PolarHBondContact O-OG 2.91Å; Q901-S905 PolarHBondContact O-N 3.43Å; Q901-S905 VanDerWaalsContact O-N 3.12Å; Q901-S905 PolarHBondContact O-OG 3.13Å; Q901-S905 VanDerWaalsContact O-OG 3.07Å
902	R	37.4	Very low	37.4	Very low	155 Å²	155	112.6 Å²	112.6	59%	0.585	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-35.6	169.1	-83.7	-176.5	174.8	171	0.1	112	L898 S905 Q906	L898-R902 WeakPolarHBondContact O-CB 3.22Å; L898-R902 PolarHBondContact O-N 2.91Å; L898-R902 VanDerWaalsContact O-N 3.1Å; R902-S905 PolarHBondContact O-OG 2.62Å; R902-Q906 WeakPolarHBondContact O-CB 3.36Å; R902-Q906 WeakPolarHBondContact O-CG 3.33Å; R902-Q906 PolarHBondContact O-N 3.5Å; R902-Q906 VanDerWaalsContact O-N 3.11Å
903	Q	39.5	Very low	37.9	Very low	107 Å²	107	106.8 Å²	106.8	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-73.7	-35.2	177.4	-79.2	177.9	-11.7	0	0	112.9	K899 Q900 Q901 R907	K899-Q903 WeakPolarHBondContact O-CG 3.36Å; K899-Q903 PolarHBondContact O-N 2.85Å; Q900-Q903 PolarHBondContact O-N 2.98Å; Q901-Q903 VanDerWaalsContact C-N 3.35Å; Q903-R907 WeakPolarHBondContact O-CB 3.45Å; Q903-R907 WeakPolarHBondContact O-CG 3.3Å; Q903-R907 PolarHBondContact O-N 2.78Å
904	S	39.1	Very low	38.1	Very low	69 Å²	69	111.2 Å²	111.2	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-76.6	-40.2	178.8	60.4	0	0	0	0	112.9	Q900 Q901 R907 A908	Q900-S904 PolarHBondContact O-N 2.88Å; Q900-S904 PolarHBondContact O-OG 3.18Å; Q901-S904 PolarHBondContact O-OG 2.91Å; S904-R907 PolarHBondContact O-N 2.79Å; S904-A908 WeakPolarHBondContact O-CB 3.37Å; S904-A908 PolarHBondContact O-N 3.45Å
905	S	40.7	Very low	38.6	Very low	70 Å²	70	110.1 Å²	110.1	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-68.9	-39	173.9	66.4	0	0	0	0	111.8	Q901 R902 A908 L909	Q901-S905 PolarHBondContact O-N 3.43Å; Q901-S905 VanDerWaalsContact O-N 3.12Å; Q901-S905 PolarHBondContact O-OG 3.13Å; Q901-S905 VanDerWaalsContact O-OG 3.07Å; R902-S905 PolarHBondContact O-OG 2.62Å; S905-A908 PolarHBondContact O-N 3.39Å; S905-L909 VanDerWaalsContact O-CB 3.26Å; S905-L909 WeakPolarHBondContact O-CB 3.23Å; S905-L909 PolarHBondContact O-N 3.15Å
906	Q	42.2	Very low	39	Very low	106 Å²	106	111.7 Å²	111.7	50%	0.495	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-31.9	171.2	-73.1	-179.6	-14.6	0	0	112.6	R902 R910	R902-Q906 WeakPolarHBondContact O-CB 3.36Å; R902-Q906 WeakPolarHBondContact O-CG 3.33Å; R902-Q906 PolarHBondContact O-N 3.5Å; R902-Q906 VanDerWaalsContact O-N 3.11Å; Q906-R910 WeakPolarHBondContact O-CB 3.22Å; Q906-R910 WeakPolarHBondContact O-CG 3.32Å; Q906-R910 PolarHBondContact O-N 2.73Å
907	R	42.2	Very low	39.4	Very low	170 Å²	170	110.2 Å²	110.2	64%	0.642	54%	0.537	S	S	*	.	H	α-helix	trans	-70	-42.9	172.3	-85.4	176.7	-178.4	171.1	1.2	112.1	Q903 S904 R910 Q911	Q903-R907 WeakPolarHBondContact O-CB 3.45Å; Q903-R907 WeakPolarHBondContact O-CG 3.3Å; Q903-R907 PolarHBondContact O-N 2.78Å; S904-R907 PolarHBondContact O-N 2.79Å; R907-R910 PolarHBondContact O-N 3.3Å; R907-Q911 VanDerWaalsContact O-CB 3.27Å; R907-Q911 WeakPolarHBondContact O-CB 3.06Å; R907-Q911 VanDerWaalsContact O-CG 3.27Å; R907-Q911 WeakPolarHBondContact O-CG 3.31Å; R907-Q911 PolarHBondContact O-N 3.44Å
908	A	42	Very low	39.5	Very low	57 Å²	57	112.4 Å²	112.4	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-66.2	-38.8	176.4	0	0	0	0	0	111.9	S904 S905 Q911 S912	S904-A908 WeakPolarHBondContact O-CB 3.37Å; S904-A908 PolarHBondContact O-N 3.45Å; S905-A908 PolarHBondContact O-N 3.39Å; A908-Q911 PolarHBondContact O-N 2.86Å; A908-S912 WeakPolarHBondContact O-CB 3.38Å; A908-S912 PolarHBondContact O-N 3.24Å; A908-S912 PolarHBondContact O-OG 2.88Å
909	L	40.3	Very low	39.4	Very low	110 Å²	110	115.8 Å²	115.8	58%	0.576	56%	0.564	S	S	*	*	H	α-helix	trans	-70.2	-38.7	173.6	-150.5	93.6	0	0	0	111.9	S905 S912 I913	S905-L909 VanDerWaalsContact O-CB 3.26Å; S905-L909 WeakPolarHBondContact O-CB 3.23Å; S905-L909 PolarHBondContact O-N 3.15Å; L909-S912 WeakPolarHBondContact CA-OG 3.31Å; L909-S912 PolarHBondContact O-N 3.4Å; L909-S912 PolarHBondContact O-OG 3.43Å; L909-I913 HydrophobicContact CD2-CD1 4.13Å; L909-I913 HydrophobicContact CG-CD1 4.23Å; L909-I913 VanDerWaalsContact O-CB 3.29Å; L909-I913 WeakPolarHBondContact O-CB 3.43Å; L909-I913 WeakPolarHBondContact O-CD1 3.33Å; L909-I913 WeakPolarHBondContact O-CG1 3.18Å; L909-I913 PolarHBondContact O-N 2.82Å
910	R	42.5	Very low	39.3	Very low	173 Å²	173	114.1 Å²	114.1	65%	0.653	56%	0.563	S	S	*	*	H	α-helix	trans	-68.2	-35	173.3	-78.9	176.4	-179.6	-175.2	0.8	112.1	Q906 R907 Q914	Q906-R910 WeakPolarHBondContact O-CB 3.22Å; Q906-R910 WeakPolarHBondContact O-CG 3.32Å; Q906-R910 PolarHBondContact O-N 2.73Å; R907-R910 PolarHBondContact O-N 3.3Å; R910-Q914 WeakPolarHBondContact O-CB 3.2Å; R910-Q914 VanDerWaalsContact O-CG 3.32Å; R910-Q914 WeakPolarHBondContact O-CG 3.28Å; R910-Q914 PolarHBondContact O-N 2.77Å
911	Q	44.3	Very low	39.1	Very low	116 Å²	116	109.7 Å²	109.7	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-71.3	-39.2	174.4	-78.5	175	-15.7	0	0	111.5	R907 A908 Q914 I915	R907-Q911 VanDerWaalsContact O-CB 3.27Å; R907-Q911 WeakPolarHBondContact O-CB 3.06Å; R907-Q911 VanDerWaalsContact O-CG 3.27Å; R907-Q911 WeakPolarHBondContact O-CG 3.31Å; R907-Q911 PolarHBondContact O-N 3.44Å; A908-Q911 PolarHBondContact O-N 2.86Å; Q911-Q914 CarbonylContact O-C 3.54Å; Q911-Q914 PolarHBondContact O-N 2.75Å; Q911-I915 WeakPolarHBondContact O-CB 3.36Å; Q911-I915 WeakPolarHBondContact O-CD1 3.15Å; Q911-I915 WeakPolarHBondContact O-CG1 3.23Å; Q911-I915 PolarHBondContact O-N 3.39Å
912	S	40.2	Very low	38.9	Very low	53 Å²	53	113.7 Å²	113.7	37%	0.371	56%	0.558	S	S	.	*	H	α-helix	trans	-69.4	-37.8	175	67.4	0	0	0	0	112.5	A908 L909 I915 N916	A908-S912 WeakPolarHBondContact O-CB 3.38Å; A908-S912 PolarHBondContact O-N 3.24Å; A908-S912 PolarHBondContact O-OG 2.88Å; L909-S912 WeakPolarHBondContact CA-OG 3.31Å; L909-S912 PolarHBondContact O-N 3.4Å; L909-S912 PolarHBondContact O-OG 3.43Å; S912-I915 PolarHBondContact O-N 3.48Å; S912-N916 WeakPolarHBondContact O-CB 3.47Å; S912-N916 PolarHBondContact O-N 3.33Å
913	I	44.4	Very low	38.6	Very low	86 Å²	86	115.4 Å²	115.4	44%	0.441	57%	0.57	S	S	.	*	H	α-helix	trans	-67.1	-39.5	171.5	-68.1	166.6	0	0	0	110.4	L909 N916 L917	L909-I913 HydrophobicContact CD2-CD1 4.13Å; L909-I913 HydrophobicContact CG-CD1 4.23Å; L909-I913 VanDerWaalsContact O-CB 3.29Å; L909-I913 WeakPolarHBondContact O-CB 3.43Å; L909-I913 WeakPolarHBondContact O-CD1 3.33Å; L909-I913 WeakPolarHBondContact O-CG1 3.18Å; L909-I913 PolarHBondContact O-N 2.82Å; I913-N916 PolarHBondContact O-N 2.82Å; I913-L917 HydrophobicContact CG2-CD1 3.59Å; I913-L917 HydrophobicContact CG2-CG 4.34Å; I913-L917 VanDerWaalsContact O-CB 3.24Å; I913-L917 WeakPolarHBondContact O-CB 3.17Å; I913-L917 WeakPolarHBondContact O-CD1 3.37Å; I913-L917 WeakPolarHBondContact O-CG 3.3Å; I913-L917 PolarHBondContact O-N 2.86Å
914	Q	40.8	Very low	38.5	Very low	128 Å²	128	117.2 Å²	117.2	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-69.2	-31.6	173.8	-84.8	-175.4	-33.8	0	0	113.5	R910 Q911 K918	R910-Q914 WeakPolarHBondContact O-CB 3.2Å; R910-Q914 VanDerWaalsContact O-CG 3.32Å; R910-Q914 WeakPolarHBondContact O-CG 3.28Å; R910-Q914 PolarHBondContact O-N 2.77Å; Q911-Q914 CarbonylContact O-C 3.54Å; Q911-Q914 PolarHBondContact O-N 2.75Å; Q914-K918 WeakPolarHBondContact O-CB 3.39Å; Q914-K918 PolarHBondContact O-N 2.82Å
915	I	41.7	Very low	38.3	Very low	105 Å²	105	120.6 Å²	120.6	54%	0.538	59%	0.586	S	S	.	*	H	α-helix	trans	-73.3	-39.8	175.4	-70.2	161.8	0	0	0	110.2	Q911 S912 K918 N919	Q911-I915 WeakPolarHBondContact O-CB 3.36Å; Q911-I915 WeakPolarHBondContact O-CD1 3.15Å; Q911-I915 WeakPolarHBondContact O-CG1 3.23Å; Q911-I915 PolarHBondContact O-N 3.39Å; S912-I915 PolarHBondContact O-N 3.48Å; I915-K918 PolarHBondContact O-N 3.28Å; I915-N919 PolarHBondContact O-N 2.82Å
916	N	36.6	Very low	38.2	Very low	117 Å²	117	122.9 Å²	122.9	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-71.9	-28	173	-84.8	-14.3	0	0	0	113.3	S912 I913	S912-N916 WeakPolarHBondContact O-CB 3.47Å; S912-N916 PolarHBondContact O-N 3.33Å; I913-N916 PolarHBondContact O-N 2.82Å
917	L	37.2	Very low	38	Very low	112 Å²	112	123.3 Å²	123.3	59%	0.586	60%	0.598	S	S	*	*	H	α-helix	trans	-80.9	-27	171.3	-72.1	166.3	0	0	0	112.6	I913 N920 S921	I913-L917 HydrophobicContact CG2-CD1 3.59Å; I913-L917 HydrophobicContact CG2-CG 4.34Å; I913-L917 VanDerWaalsContact O-CB 3.24Å; I913-L917 WeakPolarHBondContact O-CB 3.17Å; I913-L917 WeakPolarHBondContact O-CD1 3.37Å; I913-L917 WeakPolarHBondContact O-CG 3.3Å; I913-L917 PolarHBondContact O-N 2.86Å; L917-N920 PolarHBondContact O-N 3.48Å; L917-S921 WeakPolarHBondContact O-CB 3.49Å; L917-S921 PolarHBondContact O-N 3.48Å; L917-S921 PolarHBondContact O-OG 2.97Å
918	K	34.7	Very low	37.9	Very low	140 Å²	140	121 Å²	121	61%	0.609	60%	0.598	S	S	*	*	H	α-helix	trans	-72.9	-30.9	172	-93.2	-174.2	169.2	-175.6	0	112.8	Q914 I915 N920 S921	Q914-K918 WeakPolarHBondContact O-CB 3.39Å; Q914-K918 PolarHBondContact O-N 2.82Å; I915-K918 PolarHBondContact O-N 3.28Å; K918-N920 VanDerWaalsContact C-N 3.32Å; K918-N920 PolarHBondContact O-N 2.9Å; K918-S921 WeakPolarHBondContact CA-OG 3.21Å; K918-S921 PolarHBondContact O-N 3.49Å; K918-S921 PolarHBondContact O-OG 3.49Å
919	N	34.4	Very low	37.8	Very low	130 Å²	130	122.2 Å²	122.2	70%	0.695	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-8.3	174.1	-85.4	1.2	0	0	0	114.8	I915	I915-N919 PolarHBondContact O-N 2.82Å
920	N	32.8	Very low	38.4	Very low	143 Å²	143	121.4 Å²	121.4	77%	0.765	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	4.2	169.6	-99.2	-1.2	0	0	0	114.2	L917 K918	L917-N920 PolarHBondContact O-N 3.48Å; K918-N920 VanDerWaalsContact C-N 3.32Å; K918-N920 PolarHBondContact O-N 2.9Å
921	S	32.1	Very low	38.6	Very low	45 Å²	45	119.9 Å²	119.9	32%	0.315	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	-6.7	176.7	49.8	0	0	0	0	114.8	L917 K918	L917-S921 WeakPolarHBondContact O-CB 3.49Å; L917-S921 PolarHBondContact O-N 3.48Å; L917-S921 PolarHBondContact O-OG 2.97Å; K918-S921 WeakPolarHBondContact CA-OG 3.21Å; K918-S921 PolarHBondContact O-N 3.49Å; K918-S921 PolarHBondContact O-OG 3.49Å
922	W	31.5	Very low	38.8	Very low	196 Å²	196	119.4 Å²	119.4	74%	0.742	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	0.8	175.5	-85.2	60.9	0	0	0	115.1
923	K	32.6	Very low	39.5	Very low	190 Å²	190	121.9 Å²	121.9	83%	0.826	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-0.5	171.1	-105.7	178.8	176.8	178.9	0	114.7
924	H	36.1	Very low	39.8	Very low	145 Å²	145	122.3 Å²	122.3	67%	0.671	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-0.9	176.7	-96.4	-44.2	0	0	0	115.5
925	Q	36	Very low	40.5	Very low	141 Å²	141	120 Å²	120	66%	0.659	60%	0.598	S	S	*	*	S	Bend	trans	-95.5	-6.2	173.9	-78	-169.8	-38.4	0	0	114.9
926	L	37.9	Very low	40.9	Very low	118 Å²	118	123.3 Å²	123.3	62%	0.618	61%	0.605	S	S	*	*	H	α-helix	trans	-91.2	-15.5	176.2	-117.6	129.8	0	0	0	114.1	I930	L926-I930 HydrophobicContact CD2-CD1 4.42Å
927	N	38	Very low	41.4	Very low	115 Å²	115	124.1 Å²	124.1	62%	0.615	60%	0.603	S	S	*	*	H	α-helix	trans	-93.5	-13.1	179	-80	-6.6	0	0	0	114.8	F931	N927-F931 WeakPolarHBondContact O-CB 3.38Å
928	L	40.8	Very low	41.9	Very low	121 Å²	121	124.8 Å²	124.8	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-87.7	-31.4	174.5	-105.5	111	0	0	0	113.3	L932	L928-L932 WeakPolarHBondContact O-CB 3.3Å; L928-L932 PolarHBondContact O-N 3.02Å; L928-L932 VanDerWaalsContact O-N 3.07Å
929	C	39.9	Very low	42.4	Very low	83 Å²	83	126.6 Å²	126.6	56%	0.561	62%	0.615	S	S	*	*	H	α-helix	trans	-73	-34.6	176.2	-75	0	0	0	0	112.6	I933	C929-I933 WeakPolarHBondContact O-CB 3.4Å; C929-I933 WeakPolarHBondContact O-CD1 3.4Å; C929-I933 WeakPolarHBondContact O-CG1 3.46Å; C929-I933 PolarHBondContact O-N 2.84Å; C929-I933 VanDerWaalsContact O-N 3.09Å
930	I	51.8	Low	43.1	Very low	92 Å²	92	126.3 Å²	126.3	47%	0.472	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-34.5	176.1	-64.6	173.6	0	0	0	110.9	L926 L934	L926-I930 HydrophobicContact CD2-CD1 4.42Å; I930-L934 HydrophobicContact CG2-CD1 4.02Å; I930-L934 WeakPolarHBondContact O-CB 3.13Å; I930-L934 PolarHBondContact O-N 2.64Å
931	F	46.6	Very low	43.4	Very low	141 Å²	141	129.1 Å²	129.1	62%	0.618	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-35	177.4	-151.3	-100.8	0	0	0	112.8	N927 I935	N927-F931 WeakPolarHBondContact O-CB 3.38Å; F931-I935 HydrophobicContact CD1-CD1 3.56Å; F931-I935 HydrophobicContact CD1-CG1 4.37Å; F931-I935 HydrophobicContact CE1-CD1 3.62Å; F931-I935 HydrophobicContact CE1-CG1 4.42Å; F931-I935 WeakPolarHBondContact O-CB 3.44Å; F931-I935 VanDerWaalsContact O-CG1 3.28Å; F931-I935 WeakPolarHBondContact O-CG1 3.36Å; F931-I935 PolarHBondContact O-N 3.42Å
932	L	48.3	Very low	43.9	Very low	107 Å²	107	133.3 Å²	133.3	56%	0.56	64%	0.641	S	S	*	*	H	α-helix	trans	-73	-33.3	173.7	-84.1	158.2	0	0	0	112.9	L928 Y936	L928-L932 WeakPolarHBondContact O-CB 3.3Å; L928-L932 PolarHBondContact O-N 3.02Å; L928-L932 VanDerWaalsContact O-N 3.07Å; L932-Y936 WeakPolarHBondContact O-CB 3.47Å; L932-Y936 PolarHBondContact O-N 2.99Å
933	I	56.1	Low	44.6	Very low	104 Å²	104	130 Å²	130	53%	0.533	64%	0.636	S	S	.	*	H	α-helix	trans	-71.9	-35.5	174	-67.8	167.2	0	0	0	111	C929 Y936 F937	C929-I933 WeakPolarHBondContact O-CB 3.4Å; C929-I933 WeakPolarHBondContact O-CD1 3.4Å; C929-I933 WeakPolarHBondContact O-CG1 3.46Å; C929-I933 PolarHBondContact O-N 2.84Å; C929-I933 VanDerWaalsContact O-N 3.09Å; I933-Y936 PolarHBondContact O-N 2.99Å; I933-F937 HydrophobicContact CG2-CD2 4.16Å; I933-F937 PolarHBondContact O-N 3.34Å
934	L	50	Low	45.2	Very low	96 Å²	96	126.7 Å²	126.7	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-69.2	-37.4	173.1	-93.6	154.7	0	0	0	113	I930 Y936 F937 L938	I930-L934 HydrophobicContact CG2-CD1 4.02Å; I930-L934 WeakPolarHBondContact O-CB 3.13Å; I930-L934 PolarHBondContact O-N 2.64Å; L934-Y936 VanDerWaalsContact C-N 3.34Å; L934-F937 PolarHBondContact O-N 3.09Å; L934-L938 WeakPolarHBondContact O-CB 3.25Å; L934-L938 PolarHBondContact O-N 3.17Å
935	I	56.6	Low	45.8	Very low	79 Å²	79	125.6 Å²	125.6	41%	0.405	62%	0.622	S	S	.	*	H	α-helix	trans	-68.7	-33.8	174.2	-71	169.1	0	0	0	111.4	F931 F939	F931-I935 HydrophobicContact CD1-CD1 3.56Å; F931-I935 HydrophobicContact CD1-CG1 4.37Å; F931-I935 HydrophobicContact CE1-CD1 3.62Å; F931-I935 HydrophobicContact CE1-CG1 4.42Å; F931-I935 WeakPolarHBondContact O-CB 3.44Å; F931-I935 VanDerWaalsContact O-CG1 3.28Å; F931-I935 WeakPolarHBondContact O-CG1 3.36Å; F931-I935 PolarHBondContact O-N 3.42Å; I935-F939 PolarHBondContact O-N 2.73Å
936	Y	49.7	Very low	46.4	Very low	174 Å²	174	124.6 Å²	124.6	68%	0.682	62%	0.62	S	S	*	*	H	α-helix	trans	-72.3	-34.6	175.6	-133	-94	0	0	0	112.5	L932 I933 L934 F939 I940	L932-Y936 WeakPolarHBondContact O-CB 3.47Å; L932-Y936 PolarHBondContact O-N 2.99Å; I933-Y936 PolarHBondContact O-N 2.99Å; L934-Y936 VanDerWaalsContact C-N 3.34Å; Y936-F939 PolarHBondContact O-N 3.21Å; Y936-I940 HydrophobicContact CD1-CD1 3.82Å; Y936-I940 HydrophobicContact CE1-CD1 4.1Å; Y936-I940 WeakPolarHBondContact O-CG1 3.42Å
937	F	46.5	Very low	47	Very low	135 Å²	135	125.1 Å²	125.1	59%	0.592	62%	0.62	S	S	*	*	H	α-helix	trans	-74.7	-27.9	174.1	-98.9	-82.3	0	0	0	113.6	I933 L934 F939 I940 L941	I933-F937 HydrophobicContact CG2-CD2 4.16Å; I933-F937 PolarHBondContact O-N 3.34Å; L934-F937 PolarHBondContact O-N 3.09Å; F937-F939 PolarHBondContact O-N 3.2Å; F937-I940 PolarHBondContact O-N 3.47Å; F937-L941 PolarHBondContact O-N 3.35Å
938	L	47.3	Very low	47.6	Very low	126 Å²	126	125.8 Å²	125.8	66%	0.66	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-7.2	172	-94.4	150	0	0	0	114.1	L934	L934-L938 WeakPolarHBondContact O-CB 3.25Å; L934-L938 PolarHBondContact O-N 3.17Å
939	F	45.6	Very low	48.1	Very low	178 Å²	178	126.2 Å²	126.2	78%	0.781	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-4.2	172	-106.3	-84.7	0	0	0	113.2	I935 Y936 F937	I935-F939 PolarHBondContact O-N 2.73Å; Y936-F939 PolarHBondContact O-N 3.21Å; F937-F939 PolarHBondContact O-N 3.2Å
940	I	50.1	Low	48.8	Very low	123 Å²	123	129.8 Å²	129.8	63%	0.631	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-5.5	179.8	-66.4	174.2	0	0	0	111.7	Y936 F937	Y936-I940 HydrophobicContact CD1-CD1 3.82Å; Y936-I940 HydrophobicContact CE1-CD1 4.1Å; Y936-I940 WeakPolarHBondContact O-CG1 3.42Å; F937-I940 PolarHBondContact O-N 3.47Å
941	L	37.4	Very low	48.6	Very low	202 Å²	202	133.2 Å²	133.2	100%	1.058	64%	0.638	S	S	*	*			trans	-102.5	0	159	-95.2	149.2	0	0	0	108.5	F937	F937-L941 PolarHBondContact O-N 3.35Å

Retrieved 941 of 941 residues in 691.9 ms (Link to these results)

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