A0A087Y2R6_POEFO Loading...

Adhesion G protein-coupled receptor B3

AlphaFold DB , UniProt , Accession A0A087Y2R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 aa.

						>A0A087Y2R6_POEFO|A0A087Y2R6
MKAVRNLLIYIFSTYLLVMFGLTGAQDYWCSTLVKGVIYGSYSVSEMFPKNYTNCTWTLENPDPTKYSIYLKLYKRDLSCSEYSLLAYQFDHYSHEKINELLKVNASIVYLCDSKNNYIFLLYDKNFAQLRRVFPYDYNGLTPQKLDEEEQSILEFLVLNKASPSQFGCQVLCTWLENCLKAEKGTVEACGIVYTKCTCPQHLGDGESESMLMLNNVVLPLNPQTEGCLSPQLHVGQICNLSAEVRRPPKEEYGMIGEHTVKSQRPRSVHDTKALKEQAESAKFMAQTGESGAEEWSQWSSCSVTCGQGSHVRTRTCVSPYGTHCSGPLRESRVCNNTAPCPVHGVWEEWSPWSLCSFTCGRGHRTRTRMCAPPQHGGRACDGPETQTKLCNIALCPVDGQWQEWSSWSDCSVTCANGTQQRTRQCSAAAHGGSECRGHWAESRECHNPDCTANGQWNPWGPWSGCSKSCDGGGQRRVRVCQGVAVTGQQCDGNGEEVRKCSDQRCPAPYEICPEDYAMSMVWRRTPSGELAFNRCPPNATGTTSRRCSLDHRGMAYWEKPSYARCITNEFRYLQQTVQSHLAKGQRTLAGDGMSKVTKNLLNYTQPRNFYAGDLLSSVEILRNVTETFKRASYEPSSDDVQNFFQIISNLLEEENQEKWEDAQKIYPAAVELMQVIEEFIHIVGLGMKDFHNAYLMTGNLVASIQRLPAVSVMTDINFPMKGRKGMVDWARNSEDKVVIPKGLFVSQSADMDGSPVFILGTVLYKTLGLMLPSPKNLTAVNSKVIAVTIRPEPKATESHLEIELAHLANGTMKPYCALWDSTIM
					

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(Predicted Aligned Error values between residue pairs)

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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	50.8	Low	61.6	Low	211 Å²	211	124 Å²	124	100%	1.039	62%	0.617	S	S	*	*				0	-70.5	0	-74.2	-171.2	-105	0	0	114.2	A3 V4 R5	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 2.77Å; M1-V4 PolarHBondContact O-N 3.26Å; M1-V4 VanDerWaalsContact O-N 3.09Å; M1-R5 PolarHBondContact O-N 3.4Å; M1-R5 VanDerWaalsContact O-N 3.08Å
2	K	47.7	Very low	61.2	Low	168 Å²	168	125.1 Å²	125.1	73%	0.73	62%	0.616	S	S	*	*	H	α-helix	trans	-49.4	-45.6	-174	-82.9	-174.5	177.3	178.1	0	114.9	R5 N6	K2-R5 PolarHBondContact O-N 2.03Å; K2-N6 PolarHBondContact O-N 3.38Å; K2-N6 PolarHBondContact O-OD1 2.73Å
3	A	57.5	Low	60.5	Low	79 Å²	79	119.2 Å²	119.2	65%	0.653	59%	0.594	S	S	*	*	H	α-helix	trans	-60.7	-46.8	178.3	0	0	0	0	0	113.3	M1 R5 N6 L7	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 2.77Å; A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 PolarHBondContact O-N 2.83Å; A3-N6 PolarHBondContact O-N 2.81Å; A3-L7 PolarHBondContact O-N 2.72Å
4	V	63.7	Low	60.1	Low	91 Å²	91	114.9 Å²	114.9	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-62.9	-37.7	177.7	-179.1	0	0	0	0	111.4	M1 L7 L8	M1-V4 PolarHBondContact O-N 3.26Å; M1-V4 VanDerWaalsContact O-N 3.09Å; V4-L7 PolarHBondContact O-N 2.96Å; V4-L8 HydrophobicContact CG1-CD1 4.1Å; V4-L8 WeakPolarHBondContact O-CB 3.49Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 3Å
5	R	65.2	Low	59.4	Low	153 Å²	153	116.6 Å²	116.6	58%	0.577	58%	0.576	S	S	*	*	H	α-helix	trans	-63	-43.9	174.3	-169.4	-176.1	70.7	175.2	8.1	111.6	M1 K2 A3 L8 I9	M1-R5 PolarHBondContact O-N 3.4Å; M1-R5 VanDerWaalsContact O-N 3.08Å; K2-R5 PolarHBondContact O-N 2.03Å; A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 PolarHBondContact O-N 2.83Å; R5-L8 PolarHBondContact O-N 2.9Å; R5-I9 HydrophobicContact CG-CD1 4.04Å; R5-I9 WeakPolarHBondContact O-CB 3.29Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.38Å; R5-I9 PolarHBondContact O-N 3.3Å
6	N	61.7	Low	58.5	Low	95 Å²	95	114.7 Å²	114.7	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-68.7	-37.3	178	-70.7	18.2	0	0	0	111.7	K2 A3 I9 Y10	K2-N6 PolarHBondContact O-N 3.38Å; K2-N6 PolarHBondContact O-OD1 2.73Å; A3-N6 PolarHBondContact O-N 2.81Å; N6-I9 PolarHBondContact O-N 3.31Å; N6-Y10 WeakPolarHBondContact O-CB 3.37Å; N6-Y10 PolarHBondContact O-N 3.44Å
7	L	66.5	Low	57.7	Low	111 Å²	111	115.1 Å²	115.1	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-64	-44.9	173.8	-167.4	76.9	0	0	0	111.3	A3 V4 Y10 I11	A3-L7 PolarHBondContact O-N 2.72Å; V4-L7 PolarHBondContact O-N 2.96Å; L7-Y10 PolarHBondContact O-N 2.82Å; L7-I11 HydrophobicContact CD2-CD1 4.31Å; L7-I11 HydrophobicContact CG-CD1 3.95Å; L7-I11 WeakPolarHBondContact O-CB 3.44Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.11Å; L7-I11 PolarHBondContact O-N 2.89Å
8	L	61.4	Low	57.1	Low	101 Å²	101	115.2 Å²	115.2	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-62.4	-42.5	174.9	-81.3	168	0	0	0	112	V4 R5 Y10 I11 F12	V4-L8 HydrophobicContact CG1-CD1 4.1Å; V4-L8 WeakPolarHBondContact O-CB 3.49Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 3Å; R5-L8 PolarHBondContact O-N 2.9Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; L8-I11 PolarHBondContact O-N 2.91Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 3.15Å
9	I	68.5	Low	56.2	Low	101 Å²	101	115.2 Å²	115.2	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-62.5	-41.9	174.4	-70.7	164.9	0	0	0	110.8	R5 N6 F12 S13	R5-I9 HydrophobicContact CG-CD1 4.04Å; R5-I9 WeakPolarHBondContact O-CB 3.29Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.38Å; R5-I9 PolarHBondContact O-N 3.3Å; N6-I9 PolarHBondContact O-N 3.31Å; I9-F12 PolarHBondContact O-N 2.86Å; I9-S13 WeakPolarHBondContact O-CB 3.33Å; I9-S13 PolarHBondContact O-N 3.34Å; I9-S13 PolarHBondContact O-OG 2.8Å
10	Y	66.6	Low	55.3	Low	168 Å²	168	117.5 Å²	117.5	66%	0.659	59%	0.585	S	S	*	*	H	α-helix	trans	-64.2	-48.4	177.5	-157	-92.7	0	0	0	110.8	N6 L7 L8 F12 S13 T14	N6-Y10 WeakPolarHBondContact O-CB 3.37Å; N6-Y10 PolarHBondContact O-N 3.44Å; L7-Y10 PolarHBondContact O-N 2.82Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-F12 VanDerWaalsContact C-N 3.35Å; Y10-F12 PolarHBondContact O-N 2.93Å; Y10-S13 WeakPolarHBondContact CA-OG 3.34Å; Y10-S13 PolarHBondContact O-N 2.94Å; Y10-S13 VanDerWaalsContact O-N 3.13Å; Y10-S13 PolarHBondContact O-OG 2.9Å; Y10-T14 HydrophobicContact CD1-CG2 4.12Å; Y10-T14 HydrophobicContact CE1-CG2 3.97Å; Y10-T14 PolarHBondContact O-N 2.9Å; Y10-T14 PolarHBondContact O-OG1 3.16Å
11	I	67.9	Low	54.1	Low	86 Å²	86	114 Å²	114	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-57.7	-45.1	174.9	-69.5	166.9	0	0	0	111.1	L7 L8 S13 T14 Y15	L7-I11 HydrophobicContact CD2-CD1 4.31Å; L7-I11 HydrophobicContact CG-CD1 3.95Å; L7-I11 WeakPolarHBondContact O-CB 3.44Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.11Å; L7-I11 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 2.91Å; I11-S13 PolarHBondContact O-N 3.16Å; I11-T14 WeakPolarHBondContact CA-OG1 3.37Å; I11-T14 PolarHBondContact O-N 3.3Å; I11-T14 PolarHBondContact O-OG1 3.37Å; I11-Y15 VanDerWaalsContact O-CB 3.24Å; I11-Y15 WeakPolarHBondContact O-CB 3.49Å; I11-Y15 PolarHBondContact O-N 2.04Å
12	F	56.7	Low	53.2	Low	137 Å²	137	111.6 Å²	111.6	60%	0.601	57%	0.57	S	S	*	*	H	α-helix	trans	-65.5	-37.1	176.5	-123.6	-94	0	0	0	112.2	L8 I9 Y10 Y15 L16	L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 3.15Å; I9-F12 PolarHBondContact O-N 2.86Å; Y10-F12 VanDerWaalsContact C-N 3.35Å; Y10-F12 PolarHBondContact O-N 2.93Å; F12-Y15 PolarHBondContact O-N 2.84Å; F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.16Å; F12-L16 WeakPolarHBondContact O-CG 3.44Å; F12-L16 PolarHBondContact O-N 3.03Å
13	S	52.2	Low	52.5	Low	48 Å²	48	110.5 Å²	110.5	34%	0.336	58%	0.578	S	S	.	*	H	α-helix	trans	-69.8	-37.4	174.8	68.3	0	0	0	0	112.7	I9 Y10 I11 L17	I9-S13 WeakPolarHBondContact O-CB 3.33Å; I9-S13 PolarHBondContact O-N 3.34Å; I9-S13 PolarHBondContact O-OG 2.8Å; Y10-S13 WeakPolarHBondContact CA-OG 3.34Å; Y10-S13 PolarHBondContact O-N 2.94Å; Y10-S13 VanDerWaalsContact O-N 3.13Å; Y10-S13 PolarHBondContact O-OG 2.9Å; I11-S13 PolarHBondContact O-N 3.16Å; S13-L17 WeakPolarHBondContact O-CB 3.19Å; S13-L17 VanDerWaalsContact O-CG 3.25Å; S13-L17 WeakPolarHBondContact O-CG 3.29Å; S13-L17 PolarHBondContact O-N 3.48Å
14	T	54.5	Low	50.9	Low	59 Å²	59	109.4 Å²	109.4	36%	0.362	57%	0.574	S	S	.	*	H	α-helix	trans	-70	-36.3	172.4	50	0	0	0	0	111.6	Y10 I11 L17 V18	Y10-T14 HydrophobicContact CD1-CG2 4.12Å; Y10-T14 HydrophobicContact CE1-CG2 3.97Å; Y10-T14 PolarHBondContact O-N 2.9Å; Y10-T14 PolarHBondContact O-OG1 3.16Å; I11-T14 WeakPolarHBondContact CA-OG1 3.37Å; I11-T14 PolarHBondContact O-N 3.3Å; I11-T14 PolarHBondContact O-OG1 3.37Å; T14-L17 PolarHBondContact O-N 2.94Å; T14-V18 WeakPolarHBondContact O-CB 3.36Å; T14-V18 VanDerWaalsContact O-CG2 3.25Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.39Å
15	Y	49.9	Very low	49.4	Very low	141 Å²	141	109.8 Å²	109.8	55%	0.553	59%	0.587	S	S	*	*	H	α-helix	trans	-69.9	-38.4	176.1	-162	-102.1	0	0	0	111.3	I11 F12 V18 M19	I11-Y15 VanDerWaalsContact O-CB 3.24Å; I11-Y15 WeakPolarHBondContact O-CB 3.49Å; I11-Y15 PolarHBondContact O-N 2.04Å; F12-Y15 PolarHBondContact O-N 2.84Å; Y15-V18 PolarHBondContact O-N 3.16Å; Y15-M19 HydrophobicContact CD1-CG 3.84Å; Y15-M19 HydrophobicContact CD2-CG 4.4Å; Y15-M19 HydrophobicContact CE1-CG 3.62Å; Y15-M19 HydrophobicContact CE2-CG 4.2Å; Y15-M19 HydrophobicContact CG-CG 4.23Å; Y15-M19 WeakPolarHBondContact O-CB 3.19Å; Y15-M19 VanDerWaalsContact O-CG 3.22Å; Y15-M19 WeakPolarHBondContact O-CG 3.46Å; Y15-M19 PolarHBondContact O-N 2.99Å
16	L	44.8	Very low	47.5	Very low	86 Å²	86	111 Å²	111	45%	0.45	60%	0.599	S	S	.	*	H	α-helix	trans	-66	-39.3	169.5	-83.1	161.5	0	0	0	112.2	F12 V18 F20	F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.16Å; F12-L16 WeakPolarHBondContact O-CG 3.44Å; F12-L16 PolarHBondContact O-N 3.03Å; L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 2.05Å; L16-F20 HydrophobicContact CD2-CD2 3.84Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CD2-CG 4.45Å; L16-F20 CarbonylContact O-C 3.59Å; L16-F20 WeakPolarHBondContact O-CA 3.49Å; L16-F20 WeakPolarHBondContact O-CB 3.21Å; L16-F20 PolarHBondContact O-N 3.43Å
17	L	45.9	Very low	46.1	Very low	121 Å²	121	112.4 Å²	112.4	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-22.6	175.5	-76.7	165.8	0	0	0	113.5	S13 T14 G21	S13-L17 WeakPolarHBondContact O-CB 3.19Å; S13-L17 VanDerWaalsContact O-CG 3.25Å; S13-L17 WeakPolarHBondContact O-CG 3.29Å; S13-L17 PolarHBondContact O-N 3.48Å; T14-L17 PolarHBondContact O-N 2.94Å; L17-G21 WeakPolarHBondContact O-CA 3.02Å; L17-G21 PolarHBondContact O-N 2.88Å
18	V	46	Very low	44.3	Very low	118 Å²	118	118 Å²	118	72%	0.715	62%	0.622	S	S	*	*	H	α-helix	trans	-91.7	-37.2	176.6	169.6	0	0	0	0	112.3	T14 Y15 L16	T14-V18 WeakPolarHBondContact O-CB 3.36Å; T14-V18 VanDerWaalsContact O-CG2 3.25Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.39Å; Y15-V18 PolarHBondContact O-N 3.16Å; L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 2.05Å
19	M	39.8	Very low	43.4	Very low	115 Å²	115	116.2 Å²	116.2	57%	0.567	61%	0.608	S	S	*	*	H	α-helix	trans	-90.9	-30	-178.9	-63.2	-64.4	-64.6	0	0	113.5	Y15	Y15-M19 HydrophobicContact CD1-CG 3.84Å; Y15-M19 HydrophobicContact CD2-CG 4.4Å; Y15-M19 HydrophobicContact CE1-CG 3.62Å; Y15-M19 HydrophobicContact CE2-CG 4.2Å; Y15-M19 HydrophobicContact CG-CG 4.23Å; Y15-M19 WeakPolarHBondContact O-CB 3.19Å; Y15-M19 VanDerWaalsContact O-CG 3.22Å; Y15-M19 WeakPolarHBondContact O-CG 3.46Å; Y15-M19 PolarHBondContact O-N 2.99Å
20	F	39.3	Very low	42.3	Very low	160 Å²	160	114.3 Å²	114.3	70%	0.702	60%	0.603	S	S	*	*	S	Bend	trans	-121.8	51.4	172.5	-70.4	-94.8	0	0	0	109	L16 L22	L16-F20 HydrophobicContact CD2-CD2 3.84Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CD2-CG 4.45Å; L16-F20 CarbonylContact O-C 3.59Å; L16-F20 WeakPolarHBondContact O-CA 3.49Å; L16-F20 WeakPolarHBondContact O-CB 3.21Å; L16-F20 PolarHBondContact O-N 3.43Å; F20-L22 PolarHBondContact O-N 3.17Å
21	G	30.4	Very low	41.5	Very low	46 Å²	46	108.8 Å²	108.8	47%	0.474	59%	0.589	S	S	.	*			trans	-51.4	123.5	164.7	0	0	0	0	0	109	L17 T23	L17-G21 WeakPolarHBondContact O-CA 3.02Å; L17-G21 PolarHBondContact O-N 2.88Å; G21-T23 PolarHBondContact O-N 2.9Å
22	L	30.9	Very low	40.8	Very low	159 Å²	159	107 Å²	107	83%	0.832	58%	0.582	S	S	*	*			trans	-54.9	122.7	-168.4	-107.5	156.5	0	0	0	111.2	F20 G24	F20-L22 PolarHBondContact O-N 3.17Å; L22-G24 PolarHBondContact O-N 3.12Å
23	T	32.3	Very low	40.5	Very low	146 Å²	146	103.4 Å²	103.4	90%	0.896	57%	0.569	S	S	*	*			trans	-72.7	49.3	174.4	46.3	0	0	0	0	111.9	G21 A25	G21-T23 PolarHBondContact O-N 2.9Å; T23-A25 PolarHBondContact O-N 3.01Å
24	G	24.9	Very low	40.6	Very low	56 Å²	56	102.5 Å²	102.5	58%	0.577	56%	0.561	S	S	*	*			trans	-86.7	90.1	170.2	0	0	0	0	0	110	L22 Q26	L22-G24 PolarHBondContact O-N 3.12Å; G24-Q26 PolarHBondContact O-N 2.92Å
25	A	31.9	Very low	40.3	Very low	98 Å²	98	106.4 Å²	106.4	81%	0.81	57%	0.573	S	S	*	*			trans	6.6	82.5	170.3	0	0	0	0	0	116.1	T23	T23-A25 PolarHBondContact O-N 3.01Å
26	Q	26	Very low	40.2	Very low	180 Å²	180	101.8 Å²	101.8	84%	0.841	57%	0.568	S	S	*	*			trans	-94.6	119.9	161.8	-79.4	-165.5	-30.9	0	0	109.7	G24 Y28	G24-Q26 PolarHBondContact O-N 2.92Å; Q26-Y28 PolarHBondContact O-N 2.9Å
27	D	31.3	Very low	40	Very low	123 Å²	123	102.9 Å²	102.9	66%	0.658	58%	0.578	S	S	*	*			trans	-57.2	99.9	-177	-84.5	-56.2	0	0	0	112.9	W29	D27-W29 VanDerWaalsContact CB-CD1 3.43Å; D27-W29 HydrophobicContact CB-CG 4.41Å; D27-W29 PolarHBondContact O-N 3.34Å; D27-W29 PolarHBondContact OD1-NE1 2.85Å
28	Y	29.7	Very low	40.1	Very low	230 Å²	230	98 Å²	98	90%	0.902	55%	0.552	S	S	*	*			trans	-70.6	64.1	165	-93.1	-83.5	0	0	0	111.3	Q26	Q26-Y28 PolarHBondContact O-N 2.9Å
29	W	41.7	Very low	40.1	Very low	62 Å²	62	98.6 Å²	98.6	24%	0.235	54%	0.543	C	S	.	.			trans	-107.2	84.9	173.4	-62.6	60	0	0	0	109.2	D27 S31 T56	D27-W29 VanDerWaalsContact CB-CD1 3.43Å; D27-W29 HydrophobicContact CB-CG 4.41Å; D27-W29 PolarHBondContact O-N 3.34Å; D27-W29 PolarHBondContact OD1-NE1 2.85Å; W29-S31 PolarHBondContact O-N 2.6Å; W29-T56 HydrophobicContact CE3-CG2 3.91Å; W29-T56 HydrophobicContact CZ3-CG2 3.97Å
30	C	44.9	Very low	40.6	Very low	61 Å²	61	94 Å²	94	41%	0.412	53%	0.525	S	S	.	.			trans	-57.6	96.5	147.4	169.9	0	0	0	0	107	C55 T56	C30-C55 HydrophobicContact CB-CB 3.7Å; C30-C55 WeakPolarHBondContact CB-SG 3.42Å; C30-C55 CarbonylContact O-C 3.55Å; C30-C55 WeakPolarHBondContact O-CA 3Å; C30-C55 WeakPolarHBondContact O-CB 3.38Å; C30-C55 WeakPolarHBondContact SG-CB 3.37Å; C30-C55 CovalentContact SG-SG 2.04Å; C30-C55 PolarHBondContact SG-SG 3.28Å; C30-T56 PolarHBondContact O-N 3.29Å; C30-T56 VanDerWaalsContact O-O 3.1Å
31	S	50.2	Low	41.2	Very low	53 Å²	53	88.6 Å²	88.6	37%	0.371	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.9	-179.5	-171.6	0	0	0	0	109.8	W29 T56	W29-S31 PolarHBondContact O-N 2.6Å; S31-T56 WeakPolarHBondContact CA-O 3.46Å
32	T	52.8	Low	42.3	Very low	48 Å²	48	89.9 Å²	89.9	29%	0.294	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107	178.8	46.5	0	0	0	0	110.2	T56 T58	T32-T56 PolarHBondContact N-O 3.06Å; T32-T56 VanDerWaalsContact N-O 3.11Å; T32-T58 PolarHBondContact O-N 3.3Å
33	L	50.8	Low	43.4	Very low	61 Å²	61	83 Å²	83	32%	0.319	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.9	173.3	-179.5	63	0	0	0	109.7	K35 T58 E60 Y93	L33-K35 HydrophobicContact CD2-CD 4.26Å; L33-K35 HydrophobicContact CG-CG 4.35Å; L33-K35 PolarHBondContact O-N 2.85Å; L33-T58 WeakPolarHBondContact CA-O 3.02Å; L33-T58 HydrophobicContact CD1-CG2 4Å; L33-E60 HydrophobicContact CD1-CB 4.44Å; L33-Y93 HydrophobicContact CD1-CE2 4.47Å
34	V	53.9	Low	44.2	Very low	29 Å²	29	76.6 Å²	76.6	18%	0.176	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.2	178.4	-178.3	0	0	0	0	109.9	I38 M47 F48 T58 L59	V34-I38 HydrophobicContact CG1-CD1 4.09Å; V34-M47 HydrophobicContact CG1-SD 4.39Å; V34-F48 HydrophobicContact CG2-CE1 3.58Å; V34-F48 HydrophobicContact CG2-CZ 3.44Å; V34-F48 VanDerWaalsContact CG2-CZ 3.44Å; V34-T58 PolarHBondContact N-O 3.29Å; V34-L59 HydrophobicContact CB-CD1 4.14Å; V34-L59 HydrophobicContact CG1-CD1 4.27Å
35	K	49.2	Very low	45.5	Very low	142 Å²	142	77.9 Å²	77.9	62%	0.617	42%	0.424	S	S	*	.			trans	-119.1	114.8	175.3	-81	-178.8	165.9	177.2	0	110.8	L33 E60	L33-K35 HydrophobicContact CD2-CD 4.26Å; L33-K35 HydrophobicContact CG-CG 4.35Å; L33-K35 PolarHBondContact O-N 2.85Å; K35-E60 WeakPolarHBondContact CE-OE1 3.5Å; K35-E60 WeakPolarHBondContact CE-OE2 3.04Å; K35-E60 IonicContact NZ-OE1 2.67Å; K35-E60 IonicContact NZ-OE2 2.65Å; K35-E60 PolarHBondContact NZ-OE2 3.2Å; K35-E60 VanDerWaalsContact NZ-OE2 3.17Å
36	G	48.3	Very low	46.4	Very low	43 Å²	43	79.4 Å²	79.4	44%	0.443	41%	0.414	S	S	.	.	S	Bend	trans	-175.5	165.6	177.4	0	0	0	0	0	111.8	I38	G36-I38 PolarHBondContact O-N 2.92Å
37	V	39.3	Very low	47.3	Very low	109 Å²	109	73.9 Å²	73.9	66%	0.661	39%	0.39	S	S	*	.			trans	-88.9	99.4	171.4	179.2	0	0	0	0	107.4	Y39	V37-Y39 HydrophobicContact CG1-CD2 3.78Å; V37-Y39 HydrophobicContact CG1-CE2 3.3Å
38	I	48.7	Very low	48	Very low	18 Å²	18	69.9 Å²	69.9	9%	0.092	37%	0.366	C	S	.	.			trans	-102.8	114.7	-172.2	-46.2	174	0	0	0	109.5	V34 G36 Y42 M47 L59 F156 V158	V34-I38 HydrophobicContact CG1-CD1 4.09Å; G36-I38 PolarHBondContact O-N 2.92Å; I38-Y42 HydrophobicContact CG2-CD2 3.48Å; I38-Y42 VanDerWaalsContact CG2-CD2 3.48Å; I38-Y42 HydrophobicContact CG2-CE2 3.28Å; I38-Y42 HydrophobicContact CG2-CG 4.48Å; I38-M47 HydrophobicContact CD1-CE 4.07Å; I38-M47 HydrophobicContact CD1-SD 4.25Å; I38-M47 HydrophobicContact CG1-CE 4.13Å; I38-M47 HydrophobicContact CG2-CE 3.71Å; I38-L59 HydrophobicContact CD1-CD1 3.92Å; I38-F156 HydrophobicContact CB-CE2 4.49Å; I38-F156 HydrophobicContact CD1-CE2 3.98Å; I38-F156 HydrophobicContact CD1-CZ 4.05Å; I38-F156 HydrophobicContact CG2-CE2 3.71Å; I38-F156 HydrophobicContact CG2-CZ 3.94Å; I38-V158 HydrophobicContact CB-CG2 4.44Å; I38-V158 WeakPolarHBondContact O-CG2 3.44Å
39	Y	45.6	Very low	48.6	Very low	132 Å²	132	63.9 Å²	63.9	52%	0.518	36%	0.356	S	S	.	.			trans	-130.9	116.4	177.2	-66.5	-51.6	0	0	0	110.2	V37 Y42 Y67	V37-Y39 HydrophobicContact CG1-CD2 3.78Å; V37-Y39 HydrophobicContact CG1-CE2 3.3Å; Y39-Y42 PolarHBondContact O-OH 3.37Å; Y39-Y67 HydrophobicContact CE1-CD1 4.5Å; Y39-Y67 AromaticContact CE1-CE1 3.8Å; Y39-Y67 HydrophobicContact CE1-CE1 3.8Å; Y39-Y67 AromaticContact CE1-CZ 3.87Å; Y39-Y67 PolarHBondContact OH-OH 3.29Å; Y39-Y67 VanDerWaalsContact OH-OH 3.14Å
40	G	50.7	Low	48.6	Very low	19 Å²	19	68.9 Å²	68.9	20%	0.196	38%	0.379	C	S	.	.	S	Bend	trans	126.7	-170.2	-176.8	0	0	0	0	0	112.2
41	S	51.1	Low	48.6	Very low	46 Å²	46	73.1 Å²	73.1	32%	0.322	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.6	173	52.5	0	0	0	0	109.8	F156	S41-F156 VanDerWaalsContact CA-O 3.31Å; S41-F156 WeakPolarHBondContact CA-O 3.38Å
42	Y	54.8	Low	48.6	Very low	72 Å²	72	72.9 Å²	72.9	28%	0.282	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.2	-177.6	-64.9	-88.5	0	0	0	112	I38 Y39 M47 F156	I38-Y42 HydrophobicContact CG2-CD2 3.48Å; I38-Y42 VanDerWaalsContact CG2-CD2 3.48Å; I38-Y42 HydrophobicContact CG2-CE2 3.28Å; I38-Y42 HydrophobicContact CG2-CG 4.48Å; Y39-Y42 PolarHBondContact O-OH 3.37Å; Y42-M47 HydrophobicContact CD1-CE 3.94Å; Y42-M47 HydrophobicContact CD2-CE 4.09Å; Y42-M47 HydrophobicContact CE1-CE 4.23Å; Y42-M47 HydrophobicContact CE2-CE 4.39Å; Y42-M47 HydrophobicContact CG-CE 3.84Å; Y42-F156 HydrophobicContact CD2-CZ 4.35Å; Y42-F156 PolarHBondContact N-O 2.03Å; Y42-F156 VanDerWaalsContact N-O 3.09Å; Y42-F156 PolarHBondContact O-N 3.42Å
43	S	52.8	Low	48.3	Very low	16 Å²	16	73.7 Å²	73.7	11%	0.112	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	150.5	167.2	72.5	0	0	0	0	111	S45 E46	S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.25Å; S43-S45 PolarHBondContact OG-OG 2.92Å; S43-E46 WeakPolarHBondContact CB-OE1 3.22Å; S43-E46 PolarHBondContact O-N 3.31Å; S43-E46 WeakPolarHBondContact OG-CG 3.47Å; S43-E46 PolarHBondContact OG-OE1 2.87Å
44	V	50	Low	48.2	Very low	10 Å²	10	76.2 Å²	76.2	6%	0.061	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-31.8	178.4	173.5	0	0	0	0	112.3	E46 M47 F48 Y52 L154	V44-E46 PolarHBondContact O-N 3.33Å; V44-M47 PolarHBondContact O-N 3.11Å; V44-M47 VanDerWaalsContact O-N 3.15Å; V44-F48 HydrophobicContact CB-CD2 4.32Å; V44-F48 HydrophobicContact CG1-CB 4.36Å; V44-F48 HydrophobicContact CG1-CD2 3.51Å; V44-F48 HydrophobicContact CG1-CE2 4.08Å; V44-F48 HydrophobicContact CG1-CG 4.23Å; V44-F48 WeakPolarHBondContact O-CD2 3.26Å; V44-F48 PolarHBondContact O-N 3.46Å; V44-Y52 HydrophobicContact CG1-CD1 4.4Å; V44-Y52 HydrophobicContact CG1-CD2 4.25Å; V44-Y52 HydrophobicContact CG1-CE1 3.77Å; V44-Y52 HydrophobicContact CG1-CE2 3.58Å; V44-Y52 WeakPolarHBondContact CG1-OH 3.48Å; V44-L154 HydrophobicContact CG2-CB 3.64Å; V44-L154 HydrophobicContact CG2-CD2 3.67Å; V44-L154 HydrophobicContact CG2-CG 3.8Å; V44-L154 PolarHBondContact N-O 3.43Å
45	S	50.9	Low	48.2	Very low	84 Å²	84	75.7 Å²	75.7	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-66.3	-16.7	177.1	42.8	0	0	0	0	114.2	S43	S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.25Å; S43-S45 PolarHBondContact OG-OG 2.92Å
46	E	50.8	Low	48.8	Very low	129 Å²	129	69.5 Å²	69.5	60%	0.603	38%	0.379	S	S	*	.	H	α-helix	trans	-83.8	-27.7	172.2	-72.2	158.6	-129.9	0	0	113.5	S43 V44	S43-E46 WeakPolarHBondContact CB-OE1 3.22Å; S43-E46 PolarHBondContact O-N 3.31Å; S43-E46 WeakPolarHBondContact OG-CG 3.47Å; S43-E46 PolarHBondContact OG-OE1 2.87Å; V44-E46 PolarHBondContact O-N 3.33Å
47	M	46.4	Very low	49.7	Very low	65 Å²	65	69.8 Å²	69.8	32%	0.32	37%	0.367	S	S	.	.	H	α-helix	trans	-101.6	-20.2	-175.3	-73.1	-148.9	173.8	0	0	114.9	V34 I38 Y42 V44 F156	V34-M47 HydrophobicContact CG1-SD 4.39Å; I38-M47 HydrophobicContact CD1-CE 4.07Å; I38-M47 HydrophobicContact CD1-SD 4.25Å; I38-M47 HydrophobicContact CG1-CE 4.13Å; I38-M47 HydrophobicContact CG2-CE 3.71Å; Y42-M47 HydrophobicContact CD1-CE 3.94Å; Y42-M47 HydrophobicContact CD2-CE 4.09Å; Y42-M47 HydrophobicContact CE1-CE 4.23Å; Y42-M47 HydrophobicContact CE2-CE 4.39Å; Y42-M47 HydrophobicContact CG-CE 3.84Å; V44-M47 PolarHBondContact O-N 3.11Å; V44-M47 VanDerWaalsContact O-N 3.15Å; M47-F156 HydrophobicContact CE-CZ 3.95Å; M47-F156 HydrophobicContact SD-CE1 4.2Å; M47-F156 HydrophobicContact SD-CZ 3.79Å
48	F	46.3	Very low	51	Low	38 Å²	38	64.7 Å²	64.7	17%	0.167	34%	0.336	C	S	.	.	S	Bend	trans	-127.6	144.8	-171.4	-59.5	-91.4	0	0	0	112.9	V34 V44 Y52	V34-F48 HydrophobicContact CG2-CE1 3.58Å; V34-F48 HydrophobicContact CG2-CZ 3.44Å; V34-F48 VanDerWaalsContact CG2-CZ 3.44Å; V44-F48 HydrophobicContact CB-CD2 4.32Å; V44-F48 HydrophobicContact CG1-CB 4.36Å; V44-F48 HydrophobicContact CG1-CD2 3.51Å; V44-F48 HydrophobicContact CG1-CE2 4.08Å; V44-F48 HydrophobicContact CG1-CG 4.23Å; V44-F48 WeakPolarHBondContact O-CD2 3.26Å; V44-F48 PolarHBondContact O-N 3.46Å; F48-Y52 HydrophobicContact CB-CD1 3.87Å; F48-Y52 HydrophobicContact CB-CG 4.13Å
49	P	40.3	Very low	52	Low	105 Å²	105	64.7 Å²	64.7	68%	0.682	34%	0.336	S	S	*	.			trans	-68.9	146.8	175.6	-13.8	28.9	0	0	0	111.8	Y52	P49-Y52 WeakPolarHBondContact O-CD1 3.45Å; P49-Y52 PolarHBondContact O-N 3.31Å
50	K	42.3	Very low	53.3	Low	167 Å²	167	61.1 Å²	61.1	73%	0.726	32%	0.324	S	S	*	.	S	Bend	trans	-50.4	143	171.7	-63.6	-161.5	168.8	-130.1	0	111.4	E150	K50-E150 IonicContact NZ-OE2 2.67Å; K50-E150 PolarHBondContact NZ-OE2 3.26Å
51	N	45.9	Very low	54.2	Low	149 Å²	149	60.5 Å²	60.5	80%	0.797	32%	0.316	S	S	*	.			trans	74.9	31.7	-168.3	-60.6	-8.7	0	0	0	116.9	T53	N51-T53 VanDerWaalsContact C-N 3.3Å
52	Y	49.7	Very low	54.7	Low	49 Å²	49	62.2 Å²	62.2	19%	0.192	33%	0.326	C	S	.	.			trans	-78.7	-5.9	170.7	66.1	-95.9	0	0	0	114.7	V44 F48 P49 N54 C55	V44-Y52 HydrophobicContact CG1-CD1 4.4Å; V44-Y52 HydrophobicContact CG1-CD2 4.25Å; V44-Y52 HydrophobicContact CG1-CE1 3.77Å; V44-Y52 HydrophobicContact CG1-CE2 3.58Å; V44-Y52 WeakPolarHBondContact CG1-OH 3.48Å; F48-Y52 HydrophobicContact CB-CD1 3.87Å; F48-Y52 HydrophobicContact CB-CG 4.13Å; P49-Y52 WeakPolarHBondContact O-CD1 3.45Å; P49-Y52 PolarHBondContact O-N 3.31Å; Y52-N54 PolarHBondContact O-N 3.07Å; Y52-C55 WeakPolarHBondContact O-CB 3.07Å; Y52-C55 PolarHBondContact O-N 3.15Å
53	T	45.8	Very low	55.4	Low	64 Å²	64	60.5 Å²	60.5	39%	0.393	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.6	-164.7	48.5	0	0	0	0	116.3	N51 R132	N51-T53 VanDerWaalsContact C-N 3.3Å; T53-R132 PolarHBondContact O-NH1 3.42Å
54	N	49.1	Very low	56.2	Low	114 Å²	114	61 Å²	61	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	12.1	177.3	-66.9	-16.8	0	0	0	113.4	Y52 R132	Y52-N54 PolarHBondContact O-N 3.07Å; N54-R132 PolarHBondContact OD1-NH1 3.01Å
55	C	54.8	Low	56.9	Low	19 Å²	19	65.8 Å²	65.8	13%	0.128	35%	0.354	C	S	.	.			trans	-95.3	154.5	-179.4	-62.9	0	0	0	0	113.1	C30 Y52	C30-C55 HydrophobicContact CB-CB 3.7Å; C30-C55 WeakPolarHBondContact CB-SG 3.42Å; C30-C55 CarbonylContact O-C 3.55Å; C30-C55 WeakPolarHBondContact O-CA 3Å; C30-C55 WeakPolarHBondContact O-CB 3.38Å; C30-C55 WeakPolarHBondContact SG-CB 3.37Å; C30-C55 CovalentContact SG-SG 2.04Å; C30-C55 PolarHBondContact SG-SG 3.28Å; Y52-C55 WeakPolarHBondContact O-CB 3.07Å; Y52-C55 PolarHBondContact O-N 3.15Å
56	T	60.7	Low	57.6	Low	11 Å²	11	66.5 Å²	66.5	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.2	164.2	-60.4	0	0	0	0	108.2	W29 C30 S31 T32 Q129 R131	W29-T56 HydrophobicContact CE3-CG2 3.91Å; W29-T56 HydrophobicContact CZ3-CG2 3.97Å; C30-T56 PolarHBondContact O-N 3.29Å; C30-T56 VanDerWaalsContact O-O 3.1Å; S31-T56 WeakPolarHBondContact CA-O 3.46Å; T32-T56 PolarHBondContact N-O 3.06Å; T32-T56 VanDerWaalsContact N-O 3.11Å; T56-Q129 HydrophobicContact CG2-CG 3.72Å; T56-R131 HydrophobicContact CG2-CB 4.12Å; T56-R131 HydrophobicContact CG2-CG 4.16Å
57	W	66.9	Low	58.7	Low	50 Å²	50	62.3 Å²	62.3	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.3	-172.2	41.8	-78.5	0	0	0	110.8	L71 Q129 L130 L154	W57-L71 HydrophobicContact CZ3-CD2 4.46Å; W57-Q129 WeakPolarHBondContact O-CA 3.44Å; W57-L130 HydrophobicContact CD2-CB 3.88Å; W57-L130 HydrophobicContact CE3-CB 4.1Å; W57-L130 HydrophobicContact CE3-CD1 3.99Å; W57-L130 HydrophobicContact CH2-CB 3.67Å; W57-L130 HydrophobicContact CH2-CD1 3.46Å; W57-L130 VanDerWaalsContact CH2-CD1 3.46Å; W57-L130 HydrophobicContact CH2-CD2 3.53Å; W57-L130 HydrophobicContact CH2-CG 3.69Å; W57-L130 HydrophobicContact CZ2-CB 3.42Å; W57-L130 VanDerWaalsContact CZ2-CB 3.42Å; W57-L130 HydrophobicContact CZ2-CD1 4.17Å; W57-L130 HydrophobicContact CZ2-CD2 3.73Å; W57-L130 HydrophobicContact CZ2-CG 3.92Å; W57-L130 HydrophobicContact CZ3-CB 4.01Å; W57-L130 HydrophobicContact CZ3-CD1 3.36Å; W57-L130 HydrophobicContact CZ3-CD2 4.34Å; W57-L130 HydrophobicContact CZ3-CG 4.06Å; W57-L130 PolarHBondContact N-O 2.97Å; W57-L130 VanDerWaalsContact N-O 3.12Å; W57-L130 PolarHBondContact O-N 3.04Å; W57-L154 HydrophobicContact CH2-CD2 3.25Å; W57-L154 HydrophobicContact CZ2-CD2 4.02Å; W57-L154 HydrophobicContact CZ3-CD2 3.64Å
58	T	67.4	Low	60	Low	2 Å²	2	59.7 Å²	59.7	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.7	178.9	-49.4	0	0	0	0	110.4	T32 L33 V34 F90 Y93 F127 A128 Q129	T32-T58 PolarHBondContact O-N 3.3Å; L33-T58 WeakPolarHBondContact CA-O 3.02Å; L33-T58 HydrophobicContact CD1-CG2 4Å; V34-T58 PolarHBondContact N-O 3.29Å; T58-F90 HydrophobicContact CG2-CZ 4.3Å; T58-Y93 HydrophobicContact CG2-CD2 4.2Å; T58-Y93 HydrophobicContact CG2-CE2 3.96Å; T58-F127 HydrophobicContact CG2-CB 4.39Å; T58-F127 HydrophobicContact CG2-CD1 4.23Å; T58-A128 CarbonylContact C-O 3.59Å; T58-A128 WeakPolarHBondContact CA-O 3.34Å; T58-Q129 HydrophobicContact CG2-CB 4.27Å; T58-Q129 PolarHBondContact OG1-NE2 2.89Å
59	L	70.8	Confident	61.3	Low	17 Å²	17	58.2 Å²	58.2	9%	0.089	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.9	177	-175.4	60.6	0	0	0	109.1	V34 I38 I69 F127 A128 F156	V34-L59 HydrophobicContact CB-CD1 4.14Å; V34-L59 HydrophobicContact CG1-CD1 4.27Å; I38-L59 HydrophobicContact CD1-CD1 3.92Å; L59-I69 HydrophobicContact CD2-CD1 3.75Å; L59-I69 HydrophobicContact CD2-CG2 3.97Å; L59-I69 HydrophobicContact CG-CD1 4.05Å; L59-F127 WeakPolarHBondContact O-CA 3.48Å; L59-A128 PolarHBondContact N-O 3.15Å; L59-A128 PolarHBondContact O-N 3.42Å; L59-F156 HydrophobicContact CD2-CD2 4.35Å; L59-F156 HydrophobicContact CD2-CE2 4.44Å
60	E	72.4	Confident	62.9	Low	57 Å²	57	54.1 Å²	54.1	27%	0.266	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.7	176.2	-172	167.7	132.8	0	0	109.4	L33 K35 P62 F127	L33-E60 HydrophobicContact CD1-CB 4.44Å; K35-E60 WeakPolarHBondContact CE-OE1 3.5Å; K35-E60 WeakPolarHBondContact CE-OE2 3.04Å; K35-E60 IonicContact NZ-OE1 2.67Å; K35-E60 IonicContact NZ-OE2 2.65Å; K35-E60 PolarHBondContact NZ-OE2 3.2Å; K35-E60 VanDerWaalsContact NZ-OE2 3.17Å; E60-P62 WeakPolarHBondContact O-CD 3.45Å; E60-F127 HydrophobicContact CB-CD1 4.19Å; E60-F127 HydrophobicContact CB-CE1 4.08Å; E60-F127 HydrophobicContact CG-CD1 4.13Å; E60-F127 HydrophobicContact CG-CE1 3.66Å; E60-F127 HydrophobicContact CG-CZ 4.17Å; E60-F127 WeakPolarHBondContact OE2-CE1 3.14Å
61	N	69.7	Low	64.3	Low	6 Å²	6	46.3 Å²	46.3	3%	0.032	25%	0.245	C	C	.	.			trans	-79.8	114.7	172.1	-174.6	-14.4	0	0	0	108.3	D63 P64 Y67 I69 K125 N126	N61-D63 PolarHBondContact O-N 3.49Å; N61-D63 PolarHBondContact OD1-N 3Å; N61-D63 PolarHBondContact OD1-O 2.64Å; N61-P64 WeakPolarHBondContact ND2-CA 3.39Å; N61-Y67 PolarHBondContact ND2-O 2.74Å; N61-I69 HydrophobicContact CB-CD1 4.05Å; N61-K125 VanDerWaalsContact CB-O 3.27Å; N61-K125 WeakPolarHBondContact CB-O 3.13Å; N61-N126 PolarHBondContact N-O 3.3Å
62	P	61.9	Low	65.6	Low	82 Å²	82	40.4 Å²	40.4	53%	0.532	21%	0.212	S	C	.	.	S	Bend	trans	-68.1	-19.2	-172.9	28	-35.9	0	0	0	113.5	E60	E60-P62 WeakPolarHBondContact O-CD 3.45Å
63	D	69.4	Low	66.5	Low	36 Å²	36	38.2 Å²	38.2	19%	0.193	20%	0.204	C	C	.	.			trans	-159.4	92.4	170.7	-172.5	-23.2	0	0	0	110.8	N61 T65 K66 Y67	N61-D63 PolarHBondContact O-N 3.49Å; N61-D63 PolarHBondContact OD1-N 3Å; N61-D63 PolarHBondContact OD1-O 2.64Å; D63-T65 PolarHBondContact O-N 3.24Å; D63-T65 VanDerWaalsContact O-N 3.16Å; D63-T65 WeakPolarHBondContact OD1-CA 3.42Å; D63-T65 WeakPolarHBondContact OD1-CB 3.26Å; D63-T65 PolarHBondContact OD1-N 3.46Å; D63-T65 PolarHBondContact OD1-OG1 3.46Å; D63-K66 HydrophobicContact CB-CB 4.4Å; D63-K66 PolarHBondContact O-N 2.78Å; D63-K66 VanDerWaalsContact O-N 3.09Å; D63-K66 PolarHBondContact OD1-N 3.43Å; D63-K66 WeakPolarHBondContact OD2-CD 3.24Å; D63-K66 WeakPolarHBondContact OD2-CG 3.35Å; D63-K66 IonicContact OD2-NZ 3.11Å; D63-K66 PolarHBondContact OD2-NZ 2.77Å; D63-Y67 HydrophobicContact CB-CD2 4.06Å; D63-Y67 HydrophobicContact CB-CE2 4.35Å; D63-Y67 PolarHBondContact O-N 2.97Å
64	P	69	Low	67.6	Low	26 Å²	26	38 Å²	38	17%	0.169	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	178.2	28.8	-37.6	0	0	0	113.8	N61 K66 D124 N126 K161	N61-P64 WeakPolarHBondContact ND2-CA 3.39Å; P64-K66 VanDerWaalsContact C-N 3.29Å; P64-D124 WeakPolarHBondContact CB-O 3.27Å; P64-N126 WeakPolarHBondContact CD-OD1 3.13Å; P64-N126 WeakPolarHBondContact CG-OD1 3.37Å; P64-K161 WeakPolarHBondContact O-CE 3.44Å; P64-K161 PolarHBondContact O-NZ 2.79Å
65	T	64.9	Low	68.2	Low	111 Å²	111	35.7 Å²	35.7	68%	0.681	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.3	174.9	75.5	0	0	0	0	111.5	D63	D63-T65 PolarHBondContact O-N 3.24Å; D63-T65 VanDerWaalsContact O-N 3.16Å; D63-T65 WeakPolarHBondContact OD1-CA 3.42Å; D63-T65 WeakPolarHBondContact OD1-CB 3.26Å; D63-T65 PolarHBondContact OD1-N 3.46Å; D63-T65 PolarHBondContact OD1-OG1 3.46Å
66	K	64.5	Low	68.5	Low	100 Å²	100	43 Å²	43	44%	0.435	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-30.7	-178.7	-63.1	-174.6	-172.2	66.8	0	114.1	D63 P64 N160 K161	D63-K66 HydrophobicContact CB-CB 4.4Å; D63-K66 PolarHBondContact O-N 2.78Å; D63-K66 VanDerWaalsContact O-N 3.09Å; D63-K66 PolarHBondContact OD1-N 3.43Å; D63-K66 WeakPolarHBondContact OD2-CD 3.24Å; D63-K66 WeakPolarHBondContact OD2-CG 3.35Å; D63-K66 IonicContact OD2-NZ 3.11Å; D63-K66 PolarHBondContact OD2-NZ 2.77Å; P64-K66 VanDerWaalsContact C-N 3.29Å; K66-N160 CarbonylContact O-C 3.54Å; K66-N160 WeakPolarHBondContact O-CA 3.41Å; K66-K161 PolarHBondContact O-N 2.81Å
67	Y	74.1	Confident	68.4	Low	41 Å²	41	44.8 Å²	44.8	16%	0.161	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.8	-170.5	-56.7	-76.9	0	0	0	113.8	Y39 N61 D63 V158 L159 N160 K161	Y39-Y67 HydrophobicContact CE1-CD1 4.5Å; Y39-Y67 AromaticContact CE1-CE1 3.8Å; Y39-Y67 HydrophobicContact CE1-CE1 3.8Å; Y39-Y67 AromaticContact CE1-CZ 3.87Å; Y39-Y67 PolarHBondContact OH-OH 3.29Å; Y39-Y67 VanDerWaalsContact OH-OH 3.14Å; N61-Y67 PolarHBondContact ND2-O 2.74Å; D63-Y67 HydrophobicContact CB-CD2 4.06Å; D63-Y67 HydrophobicContact CB-CE2 4.35Å; D63-Y67 PolarHBondContact O-N 2.97Å; Y67-V158 HydrophobicContact CD1-CG1 4.18Å; Y67-V158 HydrophobicContact CG-CG1 4.27Å; Y67-L159 WeakPolarHBondContact CA-O 3.48Å; Y67-N160 HydrophobicContact CD1-CB 4.06Å; Y67-N160 HydrophobicContact CE1-CB 3.92Å; Y67-K161 WeakPolarHBondContact O-CE 3.12Å
68	S	73.9	Confident	68	Low	10 Å²	10	42.7 Å²	42.7	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.4	166.4	-75.6	0	0	0	0	109.2	L159 K161	S68-L159 PolarHBondContact N-O 3.01Å; S68-L159 PolarHBondContact O-N 2.94Å; S68-K161 WeakPolarHBondContact OG-CE 3.42Å; S68-K161 WeakPolarHBondContact OG-CG 3.49Å
69	I	74.4	Confident	67.4	Low	6 Å²	6	45.7 Å²	45.7	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.5	173.4	-48.7	-176.3	0	0	0	108.5	L59 N61 L71 Y123 F156 V158	L59-I69 HydrophobicContact CD2-CD1 3.75Å; L59-I69 HydrophobicContact CD2-CG2 3.97Å; L59-I69 HydrophobicContact CG-CD1 4.05Å; N61-I69 HydrophobicContact CB-CD1 4.05Å; I69-L71 HydrophobicContact CG2-CD1 3.91Å; I69-Y123 PolarHBondContact N-O 2.77Å; I69-Y123 PolarHBondContact O-N 3.44Å; I69-F156 HydrophobicContact CG2-CD2 4.17Å; I69-V158 HydrophobicContact CG1-CG2 4.28Å; I69-V158 HydrophobicContact CG2-CG2 4.39Å
70	Y	74.6	Confident	66.8	Low	19 Å²	19	46.7 Å²	46.7	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.8	174.8	-63.6	-99.8	0	0	0	108.8	L121 L122 F156 L157 L159 L172 I192 T195	Y70-L121 CarbonylContact C-O 3.58Å; Y70-L121 WeakPolarHBondContact CA-O 3.17Å; Y70-L122 HydrophobicContact CD1-CD1 4.23Å; Y70-L122 HydrophobicContact CD2-CD1 4.44Å; Y70-L122 HydrophobicContact CE1-CB 4.47Å; Y70-L122 HydrophobicContact CE1-CD1 3.79Å; Y70-L122 HydrophobicContact CE1-CD2 4.33Å; Y70-L122 HydrophobicContact CE1-CG 4.42Å; Y70-L122 HydrophobicContact CE2-CD1 4Å; Y70-F156 CarbonylContact O-C 3.44Å; Y70-F156 VanDerWaalsContact O-CA 3.28Å; Y70-F156 WeakPolarHBondContact O-CA 3.11Å; Y70-L157 PolarHBondContact N-O 2.73Å; Y70-L157 PolarHBondContact O-N 3.29Å; Y70-L159 HydrophobicContact CD2-CB 4.25Å; Y70-L159 HydrophobicContact CD2-CD1 3.92Å; Y70-L159 HydrophobicContact CD2-CG 4.1Å; Y70-L159 HydrophobicContact CE2-CB 3.94Å; Y70-L159 HydrophobicContact CE2-CD1 3.79Å; Y70-L159 HydrophobicContact CE2-CG 4.14Å; Y70-L172 HydrophobicContact CD1-CD1 4.11Å; Y70-L172 HydrophobicContact CG-CD1 4.2Å; Y70-I192 HydrophobicContact CD1-CG2 4.24Å; Y70-I192 HydrophobicContact CE1-CG2 4.24Å; Y70-T195 HydrophobicContact CE1-CG2 3.65Å; Y70-T195 WeakPolarHBondContact OH-CG2 3.48Å
71	L	71.1	Confident	66	Low	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143	178	-61.7	87.2	0	0	0	109.5	W57 I69 F120 L121 Y123 L154 E155 F156	W57-L71 HydrophobicContact CZ3-CD2 4.46Å; I69-L71 HydrophobicContact CG2-CD1 3.91Å; L71-F120 VanDerWaalsContact O-CA 3.3Å; L71-F120 WeakPolarHBondContact O-CA 3.08Å; L71-L121 HydrophobicContact CB-CB 4.32Å; L71-L121 PolarHBondContact N-O 2.81Å; L71-L121 PolarHBondContact O-N 3.19Å; L71-Y123 HydrophobicContact CD1-CD2 3.28Å; L71-Y123 HydrophobicContact CD1-CE2 3.24Å; L71-Y123 HydrophobicContact CD1-CG 4.01Å; L71-Y123 HydrophobicContact CD2-CD2 4.47Å; L71-Y123 HydrophobicContact CD2-CE2 3.76Å; L71-Y123 HydrophobicContact CG-CE2 4.17Å; L71-L154 HydrophobicContact CB-CD1 3.92Å; L71-L154 HydrophobicContact CD2-CD1 3.9Å; L71-L154 HydrophobicContact CD2-CD2 4.34Å; L71-L154 HydrophobicContact CG-CD1 4.36Å; L71-E155 WeakPolarHBondContact CA-O 3.46Å; L71-F156 HydrophobicContact CB-CB 4.49Å; L71-F156 HydrophobicContact CD2-CB 4.29Å; L71-F156 HydrophobicContact CG-CB 3.82Å
72	K	72.8	Confident	65.2	Low	26 Å²	26	53.3 Å²	53.3	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	175.3	169.2	-168.4	167.4	-150.1	0	108.1	F120 E155 W175	K72-F120 HydrophobicContact CB-CD1 4.02Å; K72-F120 HydrophobicContact CB-CE1 3.85Å; K72-F120 HydrophobicContact CD-CE1 4.22Å; K72-F120 HydrophobicContact CG-CD1 4.33Å; K72-F120 HydrophobicContact CG-CE1 3.75Å; K72-E155 HydrophobicContact CB-CB 4.36Å; K72-E155 PolarHBondContact N-O 3.37Å; K72-E155 VanDerWaalsContact NZ-CD 3.34Å; K72-E155 IonicContact NZ-OE1 3.09Å; K72-E155 PolarHBondContact NZ-OE1 3.3Å; K72-E155 IonicContact NZ-OE2 2.72Å; K72-E155 PolarHBondContact NZ-OE2 3.21Å; K72-E155 PolarHBondContact O-N 3.19Å; K72-W175 HydrophobicContact CB-CD2 4.01Å; K72-W175 HydrophobicContact CB-CE3 3.84Å; K72-W175 HydrophobicContact CB-CH2 3.88Å; K72-W175 HydrophobicContact CB-CZ2 4.04Å; K72-W175 HydrophobicContact CB-CZ3 3.77Å; K72-W175 HydrophobicContact CD-CB 4.46Å; K72-W175 HydrophobicContact CD-CD2 3.72Å; K72-W175 HydrophobicContact CD-CE3 4.38Å; K72-W175 HydrophobicContact CD-CG 3.74Å; K72-W175 HydrophobicContact CD-CZ2 4.32Å; K72-W175 HydrophobicContact CG-CD2 4.43Å
73	L	68	Low	64.9	Low	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.5	176.1	-68.8	155.5	0	0	0	109.3	L78 L111 Y118 I119 L121 L154	L73-L78 HydrophobicContact CB-CD1 4.05Å; L73-L78 HydrophobicContact CD2-CD1 4.39Å; L73-L78 HydrophobicContact CD2-CD2 4.38Å; L73-L111 HydrophobicContact CD1-CD1 3.88Å; L73-Y118 WeakPolarHBondContact O-CA 3.03Å; L73-I119 HydrophobicContact CB-CB 4.24Å; L73-I119 PolarHBondContact N-O 3.02Å; L73-I119 PolarHBondContact O-N 2.93Å; L73-L121 HydrophobicContact CD1-CD1 3.77Å; L73-L154 HydrophobicContact CD2-CB 3.88Å; L73-L154 HydrophobicContact CD2-CD1 3.64Å; L73-L154 HydrophobicContact CD2-CG 4.25Å; L73-L154 HydrophobicContact CG-CD1 3.86Å
74	Y	68.6	Low	64.3	Low	59 Å²	59	51.1 Å²	51.1	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.2	171.6	-169.6	-130.9	0	0	0	110.5	R76 D77 L78 N117 Y118	Y74-R76 VanDerWaalsContact C-N 3.32Å; Y74-R76 HydrophobicContact CD1-CB 4.12Å; Y74-R76 HydrophobicContact CE1-CB 3.73Å; Y74-R76 HydrophobicContact CE1-CG 3.91Å; Y74-R76 PolarHBondContact O-N 3.42Å; Y74-R76 WeakPolarHBondContact OH-CD 3.28Å; Y74-R76 PolarHBondContact OH-NE 2.67Å; Y74-D77 WeakPolarHBondContact CD1-OD1 3.39Å; Y74-L78 WeakPolarHBondContact O-CG 3.41Å; Y74-N117 WeakPolarHBondContact CD2-O 3.05Å; Y74-N117 HydrophobicContact CE2-CB 4.06Å; Y74-Y118 AromaticContact CD2-CD1 3.58Å; Y74-Y118 HydrophobicContact CD2-CD1 3.58Å; Y74-Y118 AromaticContact CD2-CE1 3.29Å; Y74-Y118 HydrophobicContact CD2-CE1 3.29Å; Y74-Y118 HydrophobicContact CD2-CE2 4.48Å; Y74-Y118 HydrophobicContact CD2-CG 4.28Å; Y74-Y118 AromaticContact CD2-CZ 3.8Å; Y74-Y118 HydrophobicContact CE2-CD1 4.34Å; Y74-Y118 AromaticContact CE2-CE1 3.82Å; Y74-Y118 HydrophobicContact CE2-CE1 3.82Å; Y74-Y118 HydrophobicContact CE2-CE2 4.33Å; Y74-Y118 AromaticContact CE2-CZ 3.81Å; Y74-Y118 HydrophobicContact CG-CD1 4.41Å; Y74-Y118 HydrophobicContact CG-CE1 4.06Å
75	K	62.8	Low	64	Low	66 Å²	66	50.4 Å²	50.4	29%	0.287	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23	-168.8	-177.3	166.4	172.7	169.4	0	113.9	C112 S114 N117	K75-C112 PolarHBondContact NZ-O 2.82Å; K75-S114 PolarHBondContact NZ-O 3.16Å; K75-N117 WeakPolarHBondContact CB-O 3.39Å; K75-N117 PolarHBondContact N-O 3.26Å
76	R	60.7	Low	63.9	Low	171 Å²	171	45.8 Å²	45.8	65%	0.645	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-43.9	-179.5	-59.3	-170.7	-176.3	-179.5	0.4	111.6	Y74 L78 S79 N117	Y74-R76 VanDerWaalsContact C-N 3.32Å; Y74-R76 HydrophobicContact CD1-CB 4.12Å; Y74-R76 HydrophobicContact CE1-CB 3.73Å; Y74-R76 HydrophobicContact CE1-CG 3.91Å; Y74-R76 PolarHBondContact O-N 3.42Å; Y74-R76 WeakPolarHBondContact OH-CD 3.28Å; Y74-R76 PolarHBondContact OH-NE 2.67Å; R76-L78 PolarHBondContact O-N 3.32Å; R76-S79 PolarHBondContact O-N 3.46Å; R76-N117 PolarHBondContact NH2-OD1 3.36Å
77	D	58.6	Low	64	Low	50 Å²	50	41 Å²	41	27%	0.267	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16	178.7	-45.3	-11.7	0	0	0	112.5	Y74 S79 I153	Y74-D77 WeakPolarHBondContact CD1-OD1 3.39Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 3.31Å; D77-I153 HydrophobicContact CB-CB 4.48Å; D77-I153 HydrophobicContact CB-CG1 4.27Å; D77-I153 HydrophobicContact CB-CG2 4.3Å
78	L	58.8	Low	63.6	Low	5 Å²	5	40 Å²	40	3%	0.026	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2	179.8	-85	175.4	0	0	0	115	L73 Y74 R76 C80 Y83 L85 I119 I153	L73-L78 HydrophobicContact CB-CD1 4.05Å; L73-L78 HydrophobicContact CD2-CD1 4.39Å; L73-L78 HydrophobicContact CD2-CD2 4.38Å; Y74-L78 WeakPolarHBondContact O-CG 3.41Å; R76-L78 PolarHBondContact O-N 3.32Å; L78-C80 PolarHBondContact O-N 2.74Å; L78-Y83 PolarHBondContact O-OH 2.93Å; L78-L85 HydrophobicContact CD2-CD2 3.52Å; L78-I119 HydrophobicContact CD1-CD1 4.22Å; L78-I153 HydrophobicContact CD2-CG2 4.45Å
79	S	55.4	Low	63.4	Low	66 Å²	66	41.7 Å²	41.7	46%	0.462	21%	0.212	S	C	.	.			trans	40.7	40.3	170.9	-48.6	0	0	0	0	115.9	R76 D77 S81 Y83	R76-S79 PolarHBondContact O-N 3.46Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 3.31Å; S79-S81 PolarHBondContact O-N 2.98Å; S79-Y83 VanDerWaalsContact O-CE1 3.26Å; S79-Y83 WeakPolarHBondContact O-CE1 3.46Å
80	C	57.6	Low	63	Low	37 Å²	37	41.8 Å²	41.8	25%	0.25	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	10.8	-171.3	-78.1	0	0	0	0	116.2	L78 C112	L78-C80 PolarHBondContact O-N 2.74Å; C80-C112 HydrophobicContact CB-CB 3.57Å; C80-C112 WeakPolarHBondContact CB-SG 3.2Å; C80-C112 WeakPolarHBondContact SG-CA 3.42Å; C80-C112 WeakPolarHBondContact SG-CB 3.2Å; C80-C112 CovalentContact SG-SG 2.04Å; C80-C112 PolarHBondContact SG-SG 2.97Å
81	S	55.7	Low	62.3	Low	108 Å²	108	44.3 Å²	44.3	76%	0.755	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.4	177.7	46.3	0	0	0	0	113.8	S79	S79-S81 PolarHBondContact O-N 2.98Å
82	E	52.6	Low	61.7	Low	95 Å²	95	50.6 Å²	50.6	44%	0.444	26%	0.256	S	S	.	.	S	Bend	trans	-116.4	-7.6	-172.7	-67.2	-174.7	-144.9	0	0	114.1	P135 Y138	E82-P135 WeakPolarHBondContact O-CD 3.35Å; E82-Y138 HydrophobicContact CB-CE2 4.18Å; E82-Y138 HydrophobicContact CG-CE2 4.39Å; E82-Y138 WeakPolarHBondContact OE2-CE2 3.41Å; E82-Y138 PolarHBondContact OE2-OH 2.9Å
83	Y	56.3	Low	60.9	Low	30 Å²	30	54.3 Å²	54.3	12%	0.118	27%	0.27	C	S	.	.			trans	-158.1	159	-177.3	63.1	-87	0	0	0	111.9	L78 S79 R132	L78-Y83 PolarHBondContact O-OH 2.93Å; S79-Y83 VanDerWaalsContact O-CE1 3.26Å; S79-Y83 WeakPolarHBondContact O-CE1 3.46Å; Y83-R132 HydrophobicContact CD2-CG 3.47Å; Y83-R132 VanDerWaalsContact CD2-CG 3.47Å; Y83-R132 HydrophobicContact CE2-CG 3.86Å; Y83-R132 HydrophobicContact CG-CG 3.93Å; Y83-R132 VanDerWaalsContact CZ-NE 3.33Å
84	S	57.3	Low	60.3	Low	42 Å²	42	56.7 Å²	56.7	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.8	168.2	63.1	0	0	0	0	110.6	V133	S84-V133 PolarHBondContact N-O 3.48Å; S84-V133 PolarHBondContact O-N 2.82Å; S84-V133 PolarHBondContact OG-O 3.48Å
85	L	62.2	Low	59.6	Low	11 Å²	11	59.4 Å²	59.4	6%	0.058	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.9	170.4	-170.4	73.6	0	0	0	109.5	L78 L111 L130 R132	L78-L85 HydrophobicContact CD2-CD2 3.52Å; L85-L111 HydrophobicContact CB-CB 4.49Å; L85-L111 HydrophobicContact CD2-CD1 3.72Å; L85-L111 HydrophobicContact CG-CD1 3.99Å; L85-L111 PolarHBondContact O-N 2.82Å; L85-L130 HydrophobicContact CD2-CD2 4.22Å; L85-R132 HydrophobicContact CD1-CB 4.39Å
86	L	62.8	Low	59.3	Low	13 Å²	13	64.1 Å²	64.1	7%	0.068	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	-175	-53.2	-179.6	0	0	0	110.1	Y88 I108 V109 Y110 L130 R131 V133	L86-Y88 HydrophobicContact CB-CE2 4.01Å; L86-Y88 VanDerWaalsContact CD1-OH 3.28Å; L86-Y88 WeakPolarHBondContact CD1-OH 3.37Å; L86-I108 HydrophobicContact CB-CG2 4.13Å; L86-I108 HydrophobicContact CD1-CG2 4.35Å; L86-I108 HydrophobicContact CD2-CG2 4.09Å; L86-I108 HydrophobicContact CG-CG2 4.42Å; L86-V109 WeakPolarHBondContact CA-O 3.46Å; L86-Y110 HydrophobicContact CD2-CD1 3.33Å; L86-Y110 HydrophobicContact CD2-CE1 3.48Å; L86-Y110 VanDerWaalsContact CD2-CE1 3.48Å; L86-Y110 HydrophobicContact CD2-CG 3.89Å; L86-L130 VanDerWaalsContact O-CA 3.27Å; L86-L130 WeakPolarHBondContact O-CA 3.38Å; L86-R131 PolarHBondContact N-O 3.41Å; L86-R131 PolarHBondContact O-N 3.48Å; L86-V133 HydrophobicContact CD1-CB 4.49Å; L86-V133 HydrophobicContact CD1-CG2 3.87Å; L86-V133 HydrophobicContact CG-CG2 4.45Å
87	A	65.2	Low	59.1	Low	1 Å²	1	60.9 Å²	60.9	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.7	169.8	0	0	0	0	0	112	V109 L111 L121 Y123 Q129 L130	A87-V109 HydrophobicContact CB-CB 4.3Å; A87-V109 PolarHBondContact N-O 3.31Å; A87-V109 PolarHBondContact O-N 3.23Å; A87-L111 HydrophobicContact CB-CD1 4.19Å; A87-L121 HydrophobicContact CB-CD1 4.47Å; A87-Y123 WeakPolarHBondContact CB-OH 3.22Å; A87-Q129 WeakPolarHBondContact CA-O 3.25Å; A87-L130 HydrophobicContact CB-CD1 4.3Å; A87-L130 HydrophobicContact CB-CD2 3.93Å; A87-L130 HydrophobicContact CB-CG 3.76Å
88	Y	66.9	Low	59	Low	18 Å²	18	59.3 Å²	59.3	7%	0.071	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.3	179.5	-50.1	-87.5	0	0	0	110.1	L86 L102 I108 A128 Q129 R131	L86-Y88 HydrophobicContact CB-CE2 4.01Å; L86-Y88 VanDerWaalsContact CD1-OH 3.28Å; L86-Y88 WeakPolarHBondContact CD1-OH 3.37Å; Y88-L102 HydrophobicContact CE1-CD2 3.53Å; Y88-L102 VanDerWaalsContact OH-CD2 3.29Å; Y88-L102 WeakPolarHBondContact OH-CD2 3.5Å; Y88-I108 HydrophobicContact CD1-CG1 3.99Å; Y88-I108 HydrophobicContact CD1-CG2 4.45Å; Y88-I108 HydrophobicContact CE1-CB 4.31Å; Y88-I108 HydrophobicContact CE1-CD1 3.92Å; Y88-I108 HydrophobicContact CE1-CG1 3.71Å; Y88-I108 HydrophobicContact CE1-CG2 3.93Å; Y88-A128 VanDerWaalsContact O-CA 3.31Å; Y88-A128 WeakPolarHBondContact O-CA 3.35Å; Y88-Q129 HydrophobicContact CD2-CB 4.29Å; Y88-Q129 HydrophobicContact CD2-CG 4.38Å; Y88-Q129 PolarHBondContact N-O 3.32Å; Y88-Q129 PolarHBondContact O-N 2.96Å; Y88-R131 HydrophobicContact CE2-CB 3.82Å
89	Q	68.9	Low	59	Low	46 Å²	46	62.4 Å²	62.4	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.6	173.1	-55.1	-170.2	48.8	0	0	110.8	L122 Y123 K125 F127	Q89-L122 PolarHBondContact NE2-O 2.99Å; Q89-L122 VanDerWaalsContact NE2-O 3.16Å; Q89-Y123 HydrophobicContact CG-CD1 3.69Å; Q89-Y123 HydrophobicContact CG-CE1 4.06Å; Q89-Y123 HydrophobicContact CG-CG 4.4Å; Q89-K125 HydrophobicContact CB-CD 3.94Å; Q89-K125 HydrophobicContact CB-CG 4.4Å; Q89-F127 WeakPolarHBondContact CA-O 3.45Å
90	F	66.8	Low	59.1	Low	9 Å²	9	64.4 Å²	64.4	4%	0.039	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.2	-175.2	50.8	-89.7	0	0	0	113.4	T58 H92 Y93 I98 L101 F127 Q129	T58-F90 HydrophobicContact CG2-CZ 4.3Å; F90-H92 WeakPolarHBondContact CD2-O 3.42Å; F90-Y93 AromaticContact CE2-CD2 3.95Å; F90-Y93 HydrophobicContact CE2-CD2 3.95Å; F90-Y93 HydrophobicContact CZ-CD2 4.3Å; F90-I98 HydrophobicContact CE2-CD1 4.06Å; F90-I98 HydrophobicContact CE2-CG1 4.36Å; F90-I98 HydrophobicContact CZ-CD1 4.03Å; F90-I98 HydrophobicContact CZ-CG1 4.39Å; F90-L101 HydrophobicContact CB-CD1 4.22Å; F90-F127 HydrophobicContact CD2-CB 3.63Å; F90-F127 HydrophobicContact CD2-CD2 4.16Å; F90-F127 HydrophobicContact CD2-CG 4.15Å; F90-F127 HydrophobicContact CE1-CB 4.43Å; F90-F127 HydrophobicContact CE2-CB 3.34Å; F90-F127 HydrophobicContact CE2-CD2 4.16Å; F90-F127 AromaticContact CE2-CG 3.79Å; F90-F127 HydrophobicContact CE2-CG 3.79Å; F90-F127 HydrophobicContact CG-CB 4.3Å; F90-F127 HydrophobicContact CZ-CB 3.79Å; F90-F127 PolarHBondContact N-O 3.44Å; F90-F127 WeakPolarHBondContact O-CB 3.18Å; F90-F127 PolarHBondContact O-N 2.91Å; F90-Q129 HydrophobicContact CE1-CB 3.73Å; F90-Q129 HydrophobicContact CZ-CB 4.09Å
91	D	59.7	Low	59	Low	71 Å²	71	65.8 Å²	65.8	38%	0.38	33%	0.33	S	S	.	.	S	Bend	trans	-90.4	-13.5	-173.2	-54.6	-71.8	0	0	0	113.2	K125 N126	D91-K125 WeakPolarHBondContact OD1-CB 3.45Å; D91-K125 WeakPolarHBondContact OD1-CG 3.08Å; D91-K125 IonicContact OD2-NZ 3.77Å; D91-N126 PolarHBondContact O-ND2 3.15Å
92	H	58.3	Low	58.9	Low	136 Å²	136	62.8 Å²	62.8	63%	0.63	31%	0.305	S	S	*	.			trans	-140.8	120.7	-174.2	-67.7	76.2	0	0	0	111.4	F90 S94	F90-H92 WeakPolarHBondContact CD2-O 3.42Å; H92-S94 PolarHBondContact O-N 3.06Å; H92-S94 VanDerWaalsContact O-N 3.14Å
93	Y	55.8	Low	59	Low	103 Å²	103	66.7 Å²	66.7	40%	0.404	32%	0.321	S	S	.	.			trans	-83.7	80.2	177.6	-170	-89.4	0	0	0	110.8	L33 T58 F90 F127	L33-Y93 HydrophobicContact CD1-CE2 4.47Å; T58-Y93 HydrophobicContact CG2-CD2 4.2Å; T58-Y93 HydrophobicContact CG2-CE2 3.96Å; F90-Y93 AromaticContact CE2-CD2 3.95Å; F90-Y93 HydrophobicContact CE2-CD2 3.95Å; F90-Y93 HydrophobicContact CZ-CD2 4.3Å; Y93-F127 AromaticContact CD2-CD1 3.98Å; Y93-F127 HydrophobicContact CD2-CD1 3.98Å; Y93-F127 HydrophobicContact CD2-CE1 4.13Å; Y93-F127 HydrophobicContact CD2-CG 4.47Å; Y93-F127 HydrophobicContact CG-CD1 4.42Å; Y93-F127 HydrophobicContact CG-CE1 4.17Å; Y93-F127 HydrophobicContact CG-CZ 4.46Å
94	S	56.1	Low	59	Low	53 Å²	53	69.6 Å²	69.6	37%	0.371	34%	0.341	S	S	.	.			trans	-133.7	135.2	169.5	64.3	0	0	0	0	111.8	H92 E96 K97 I98	H92-S94 PolarHBondContact O-N 3.06Å; H92-S94 VanDerWaalsContact O-N 3.14Å; S94-E96 VanDerWaalsContact C-N 3.3Å; S94-E96 PolarHBondContact O-N 2.89Å; S94-K97 PolarHBondContact O-N 3.29Å; S94-K97 VanDerWaalsContact O-N 3.09Å; S94-K97 WeakPolarHBondContact OG-CB 3.49Å; S94-I98 WeakPolarHBondContact O-CG1 3.48Å; S94-I98 PolarHBondContact O-N 3.09Å
95	H	54	Low	58.8	Low	117 Å²	117	72.5 Å²	72.5	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-35.4	-165.7	-149.1	-27.7	0	0	0	113.1	N99	H95-N99 WeakPolarHBondContact O-CB 3.36Å; H95-N99 VanDerWaalsContact O-CG 3.22Å; H95-N99 PolarHBondContact O-N 2.93Å; H95-N99 PolarHBondContact O-ND2 2.88Å
96	E	56.6	Low	58.2	Low	164 Å²	164	76.2 Å²	76.2	77%	0.766	39%	0.385	S	S	*	.	H	α-helix	trans	-64.9	-43.8	175.4	-61.3	172.1	153.2	0	0	111.3	S94 N99 E100	S94-E96 VanDerWaalsContact C-N 3.3Å; S94-E96 PolarHBondContact O-N 2.89Å; E96-N99 CarbonylContact O-C 3.6Å; E96-N99 PolarHBondContact O-N 3.41Å; E96-N99 VanDerWaalsContact O-N 3.15Å; E96-E100 PolarHBondContact O-N 3.49Å
97	K	55.5	Low	57.7	Low	103 Å²	103	78 Å²	78	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-68	-37.5	179.9	-151.4	76.9	-166.9	154.9	0	111.9	S94 N99 E100 L101	S94-K97 PolarHBondContact O-N 3.29Å; S94-K97 VanDerWaalsContact O-N 3.09Å; S94-K97 WeakPolarHBondContact OG-CB 3.49Å; K97-N99 VanDerWaalsContact C-N 3.33Å; K97-E100 WeakPolarHBondContact CD-OE2 3.34Å; K97-E100 WeakPolarHBondContact CE-OE2 3.28Å; K97-E100 IonicContact NZ-OE2 2.82Å; K97-E100 PolarHBondContact NZ-OE2 3.5Å; K97-E100 PolarHBondContact O-N 2.97Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.29Å
98	I	56.6	Low	57.4	Low	18 Å²	18	79.1 Å²	79.1	9%	0.092	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-42.4	171.5	-65.9	166.7	0	0	0	109.9	F90 S94 E100 L101 L102	F90-I98 HydrophobicContact CE2-CD1 4.06Å; F90-I98 HydrophobicContact CE2-CG1 4.36Å; F90-I98 HydrophobicContact CZ-CD1 4.03Å; F90-I98 HydrophobicContact CZ-CG1 4.39Å; S94-I98 WeakPolarHBondContact O-CG1 3.48Å; S94-I98 PolarHBondContact O-N 3.09Å; I98-E100 PolarHBondContact O-N 3.47Å; I98-L101 PolarHBondContact O-N 3.38Å; I98-L102 HydrophobicContact CG2-CD1 4Å; I98-L102 HydrophobicContact CG2-CG 4.46Å; I98-L102 WeakPolarHBondContact O-CB 3.43Å; I98-L102 VanDerWaalsContact O-CG 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 2.91Å
99	N	57.8	Low	57.3	Low	70 Å²	70	81.3 Å²	81.3	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-71.9	-23	177.1	-70.8	-11.7	0	0	0	114.3	H95 E96 K97	H95-N99 WeakPolarHBondContact O-CB 3.36Å; H95-N99 VanDerWaalsContact O-CG 3.22Å; H95-N99 PolarHBondContact O-N 2.93Å; H95-N99 PolarHBondContact O-ND2 2.88Å; E96-N99 CarbonylContact O-C 3.6Å; E96-N99 PolarHBondContact O-N 3.41Å; E96-N99 VanDerWaalsContact O-N 3.15Å; K97-N99 VanDerWaalsContact C-N 3.33Å
100	E	58.8	Low	57.1	Low	107 Å²	107	83.9 Å²	83.9	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-49.3	165.7	-72.3	-170.6	131.1	0	0	111.2	E96 K97 I98 L102 K103	E96-E100 PolarHBondContact O-N 3.49Å; K97-E100 WeakPolarHBondContact CD-OE2 3.34Å; K97-E100 WeakPolarHBondContact CE-OE2 3.28Å; K97-E100 IonicContact NZ-OE2 2.82Å; K97-E100 PolarHBondContact NZ-OE2 3.5Å; K97-E100 PolarHBondContact O-N 2.97Å; I98-E100 PolarHBondContact O-N 3.47Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.75Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 2.98Å
101	L	55	Low	56.9	Low	66 Å²	66	83.5 Å²	83.5	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-32.8	-179.7	-69.6	168	0	0	0	112.2	F90 K97 I98 K103 V104	F90-L101 HydrophobicContact CB-CD1 4.22Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.29Å; I98-L101 PolarHBondContact O-N 3.38Å; L101-K103 PolarHBondContact O-N 2.84Å; L101-V104 CarbonylContact O-C 3.56Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-V104 VanDerWaalsContact O-N 3.08Å
102	L	53.3	Low	57.2	Low	46 Å²	46	81 Å²	81	24%	0.241	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.1	172.2	-77.7	168	0	0	0	114.4	Y88 I98 E100	Y88-L102 HydrophobicContact CE1-CD2 3.53Å; Y88-L102 VanDerWaalsContact OH-CD2 3.29Å; Y88-L102 WeakPolarHBondContact OH-CD2 3.5Å; I98-L102 HydrophobicContact CG2-CD1 4Å; I98-L102 HydrophobicContact CG2-CG 4.46Å; I98-L102 WeakPolarHBondContact O-CB 3.43Å; I98-L102 VanDerWaalsContact O-CG 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 2.91Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.75Å
103	K	54.6	Low	57.3	Low	177 Å²	177	80.6 Å²	80.6	77%	0.77	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.7	173.2	-65.3	172.6	-178.3	175.9	0	113.1	E100 L101	E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 2.98Å; L101-K103 PolarHBondContact O-N 2.84Å
104	V	56	Low	57.5	Low	91 Å²	91	77.3 Å²	77.3	55%	0.552	41%	0.409	S	S	*	.	S	Bend	trans	-128.6	88.2	-174.4	-174.5	0	0	0	0	108	L101 A106	L101-V104 CarbonylContact O-C 3.56Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-V104 VanDerWaalsContact O-N 3.08Å; V104-A106 HydrophobicContact CG1-CB 4.41Å; V104-A106 PolarHBondContact O-N 2.8Å
105	N	54.4	Low	57.6	Low	103 Å²	103	84.1 Å²	84.1	55%	0.551	43%	0.432	S	S	*	.			trans	-56.7	1.4	-167.9	-67.1	2.4	0	0	0	117	S107 I108	N105-S107 PolarHBondContact O-N 3.32Å; N105-I108 HydrophobicContact CB-CD1 4.33Å; N105-I108 PolarHBondContact O-N 3.2Å
106	A	48.7	Very low	57.9	Low	88 Å²	88	80.8 Å²	80.8	73%	0.727	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	12.3	-175.8	0	0	0	0	0	115.9	V104	V104-A106 HydrophobicContact CG1-CB 4.41Å; V104-A106 PolarHBondContact O-N 2.8Å
107	S	53.1	Low	58.1	Low	50 Å²	50	75.4 Å²	75.4	35%	0.35	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.1	28.1	176	-67.4	0	0	0	0	112.8	N105	N105-S107 PolarHBondContact O-N 3.32Å
108	I	59.3	Low	58.6	Low	25 Å²	25	72.8 Å²	72.8	13%	0.128	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.5	178.5	-47.2	-176.1	0	0	0	108.8	L86 Y88 N105 Y110	L86-I108 HydrophobicContact CB-CG2 4.13Å; L86-I108 HydrophobicContact CD1-CG2 4.35Å; L86-I108 HydrophobicContact CD2-CG2 4.09Å; L86-I108 HydrophobicContact CG-CG2 4.42Å; Y88-I108 HydrophobicContact CD1-CG1 3.99Å; Y88-I108 HydrophobicContact CD1-CG2 4.45Å; Y88-I108 HydrophobicContact CE1-CB 4.31Å; Y88-I108 HydrophobicContact CE1-CD1 3.92Å; Y88-I108 HydrophobicContact CE1-CG1 3.71Å; Y88-I108 HydrophobicContact CE1-CG2 3.93Å; N105-I108 HydrophobicContact CB-CD1 4.33Å; N105-I108 PolarHBondContact O-N 3.2Å; I108-Y110 HydrophobicContact CB-CE2 4.01Å; I108-Y110 HydrophobicContact CG2-CD2 4.17Å; I108-Y110 HydrophobicContact CG2-CE2 3.7Å
109	V	63.8	Low	59.1	Low	64 Å²	64	72.6 Å²	72.6	39%	0.388	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	172.7	-171.4	0	0	0	0	109.2	L86 A87 L111 L121	L86-V109 WeakPolarHBondContact CA-O 3.46Å; A87-V109 HydrophobicContact CB-CB 4.3Å; A87-V109 PolarHBondContact N-O 3.31Å; A87-V109 PolarHBondContact O-N 3.23Å; V109-L111 HydrophobicContact CB-CD2 4.41Å; V109-L111 HydrophobicContact CG1-CD2 3.79Å; V109-L121 HydrophobicContact CG1-CD2 4.38Å
110	Y	64.4	Low	59.7	Low	100 Å²	100	71.4 Å²	71.4	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.8	178.1	-67.8	-102.7	0	0	0	109.2	L86 I108 D113	L86-Y110 HydrophobicContact CD2-CD1 3.33Å; L86-Y110 HydrophobicContact CD2-CE1 3.48Å; L86-Y110 VanDerWaalsContact CD2-CE1 3.48Å; L86-Y110 HydrophobicContact CD2-CG 3.89Å; I108-Y110 HydrophobicContact CB-CE2 4.01Å; I108-Y110 HydrophobicContact CG2-CD2 4.17Å; I108-Y110 HydrophobicContact CG2-CE2 3.7Å; Y110-D113 VanDerWaalsContact CB-OD2 3.26Å; Y110-D113 WeakPolarHBondContact CB-OD2 3.46Å
111	L	64.1	Low	60.1	Low	2 Å²	2	67.3 Å²	67.3	1%	0.01	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-78.7	-29.8	-167.5	-60.2	174.1	0	0	0	112.8	L73 L85 A87 V109 D113 S114 I119 L121 L130	L73-L111 HydrophobicContact CD1-CD1 3.88Å; L85-L111 HydrophobicContact CB-CB 4.49Å; L85-L111 HydrophobicContact CD2-CD1 3.72Å; L85-L111 HydrophobicContact CG-CD1 3.99Å; L85-L111 PolarHBondContact O-N 2.82Å; A87-L111 HydrophobicContact CB-CD1 4.19Å; V109-L111 HydrophobicContact CB-CD2 4.41Å; V109-L111 HydrophobicContact CG1-CD2 3.79Å; L111-D113 PolarHBondContact O-N 3.06Å; L111-S114 PolarHBondContact O-N 3.06Å; L111-I119 HydrophobicContact CB-CD1 4.39Å; L111-I119 HydrophobicContact CD2-CG2 4.12Å; L111-I119 WeakPolarHBondContact O-CD1 3.43Å; L111-L121 HydrophobicContact CD1-CD1 4.12Å; L111-L121 HydrophobicContact CD2-CD1 3.63Å; L111-L121 HydrophobicContact CD2-CD2 3.72Å; L111-L121 HydrophobicContact CD2-CG 4.2Å; L111-L130 HydrophobicContact CD1-CD2 3.49Å; L111-L130 VanDerWaalsContact CD1-CD2 3.49Å
112	C	64.9	Low	60.9	Low	19 Å²	19	66.3 Å²	66.3	13%	0.128	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-68.2	-21.7	177.7	-68	0	0	0	0	113.7	K75 C80 S114	K75-C112 PolarHBondContact NZ-O 2.82Å; C80-C112 HydrophobicContact CB-CB 3.57Å; C80-C112 WeakPolarHBondContact CB-SG 3.2Å; C80-C112 WeakPolarHBondContact SG-CA 3.42Å; C80-C112 WeakPolarHBondContact SG-CB 3.2Å; C80-C112 CovalentContact SG-SG 2.04Å; C80-C112 PolarHBondContact SG-SG 2.97Å; C112-S114 VanDerWaalsContact C-N 3.35Å; C112-S114 PolarHBondContact O-N 2.97Å
113	D	60.8	Low	61.8	Low	126 Å²	126	64.4 Å²	64.4	67%	0.674	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-81.8	-10.8	-176.7	-63	-22.2	0	0	0	113.7	Y110 L111	Y110-D113 VanDerWaalsContact CB-OD2 3.26Å; Y110-D113 WeakPolarHBondContact CB-OD2 3.46Å; L111-D113 PolarHBondContact O-N 3.06Å
114	S	60.5	Low	62.4	Low	34 Å²	34	59.7 Å²	59.7	24%	0.238	32%	0.322	C	S	.	.			trans	-60.1	138.2	174.7	-179.1	0	0	0	0	111.6	K75 L111 C112 N116	K75-S114 PolarHBondContact NZ-O 3.16Å; L111-S114 PolarHBondContact O-N 3.06Å; C112-S114 VanDerWaalsContact C-N 3.35Å; C112-S114 PolarHBondContact O-N 2.97Å; S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact OG-N 3.03Å
115	K	56.3	Low	63.1	Low	196 Å²	196	58.3 Å²	58.3	85%	0.852	31%	0.309	S	S	*	.			trans	-78.9	-16.9	177.6	-69.3	-177.9	179.2	176.2	0	113.8
116	N	60.5	Low	63.8	Low	48 Å²	48	56.1 Å²	56.1	26%	0.257	30%	0.297	S	S	.	.	S	Bend	trans	-97	157.6	-162.5	-47.1	1.6	0	0	0	110.4	S114 A189	S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact OG-N 3.03Å; N116-A189 PolarHBondContact ND2-O 2.85Å
117	N	62	Low	64.6	Low	51 Å²	51	53.2 Å²	53.2	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-72.8	-31.8	-177.7	-68.9	-88.7	0	0	0	112.6	Y74 K75 R76 E183	Y74-N117 WeakPolarHBondContact CD2-O 3.05Å; Y74-N117 HydrophobicContact CE2-CB 4.06Å; K75-N117 WeakPolarHBondContact CB-O 3.39Å; K75-N117 PolarHBondContact N-O 3.26Å; R76-N117 PolarHBondContact NH2-OD1 3.36Å; N117-E183 WeakPolarHBondContact CB-OE1 3.48Å; N117-E183 PolarHBondContact N-OE1 2.81Å; N117-E183 PolarHBondContact ND2-OE1 2.88Å
118	Y	65.2	Low	65.5	Low	47 Å²	47	51.1 Å²	51.1	18%	0.184	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146	172.9	-64	-75.7	0	0	0	110.5	L73 Y74 C179 A182	L73-Y118 WeakPolarHBondContact O-CA 3.03Å; Y74-Y118 AromaticContact CD2-CD1 3.58Å; Y74-Y118 HydrophobicContact CD2-CD1 3.58Å; Y74-Y118 AromaticContact CD2-CE1 3.29Å; Y74-Y118 HydrophobicContact CD2-CE1 3.29Å; Y74-Y118 HydrophobicContact CD2-CE2 4.48Å; Y74-Y118 HydrophobicContact CD2-CG 4.28Å; Y74-Y118 AromaticContact CD2-CZ 3.8Å; Y74-Y118 HydrophobicContact CE2-CD1 4.34Å; Y74-Y118 AromaticContact CE2-CE1 3.82Å; Y74-Y118 HydrophobicContact CE2-CE1 3.82Å; Y74-Y118 HydrophobicContact CE2-CE2 4.33Å; Y74-Y118 AromaticContact CE2-CZ 3.81Å; Y74-Y118 HydrophobicContact CG-CD1 4.41Å; Y74-Y118 HydrophobicContact CG-CE1 4.06Å; Y118-C179 HydrophobicContact CD2-CB 4.03Å; Y118-A182 HydrophobicContact CE2-CB 3.97Å
119	I	67.4	Low	65.8	Low	14 Å²	14	50.2 Å²	50.2	7%	0.072	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.9	175.2	-54.3	162.5	0	0	0	107.9	L73 L78 L111 L121	L73-I119 HydrophobicContact CB-CB 4.24Å; L73-I119 PolarHBondContact N-O 3.02Å; L73-I119 PolarHBondContact O-N 2.93Å; L78-I119 HydrophobicContact CD1-CD1 4.22Å; L111-I119 HydrophobicContact CB-CD1 4.39Å; L111-I119 HydrophobicContact CD2-CG2 4.12Å; L111-I119 WeakPolarHBondContact O-CD1 3.43Å; I119-L121 HydrophobicContact CG2-CD2 4.05Å; I119-L121 HydrophobicContact CG2-CG 4.3Å
120	F	69.6	Low	66	Low	45 Å²	45	47.2 Å²	47.2	20%	0.197	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.7	175.6	-62	-69.9	0	0	0	110.3	L71 K72 W175 C179 I192	L71-F120 VanDerWaalsContact O-CA 3.3Å; L71-F120 WeakPolarHBondContact O-CA 3.08Å; K72-F120 HydrophobicContact CB-CD1 4.02Å; K72-F120 HydrophobicContact CB-CE1 3.85Å; K72-F120 HydrophobicContact CD-CE1 4.22Å; K72-F120 HydrophobicContact CG-CD1 4.33Å; K72-F120 HydrophobicContact CG-CE1 3.75Å; F120-W175 HydrophobicContact CD1-CE3 4.26Å; F120-W175 HydrophobicContact CE1-CB 3.98Å; F120-W175 HydrophobicContact CE1-CD2 4.41Å; F120-W175 HydrophobicContact CE1-CE3 4.02Å; F120-W175 HydrophobicContact CE1-CG 4.45Å; F120-W175 HydrophobicContact CZ-CB 4.28Å; F120-C179 HydrophobicContact CE2-CB 4.16Å; F120-C179 HydrophobicContact CZ-CB 4.32Å; F120-I192 HydrophobicContact CD1-CD1 4.47Å; F120-I192 HydrophobicContact CD1-CG1 4.45Å; F120-I192 HydrophobicContact CD2-CG1 4.13Å; F120-I192 HydrophobicContact CE1-CD1 4.42Å; F120-I192 HydrophobicContact CE2-CG1 4.42Å; F120-I192 HydrophobicContact CG-CG1 4.14Å
121	L	67.9	Low	65.9	Low	21 Å²	21	45.2 Å²	45.2	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.4	178.5	-56	173.6	0	0	0	110.1	Y70 L71 L73 A87 V109 L111 I119 Y123	Y70-L121 CarbonylContact C-O 3.58Å; Y70-L121 WeakPolarHBondContact CA-O 3.17Å; L71-L121 HydrophobicContact CB-CB 4.32Å; L71-L121 PolarHBondContact N-O 2.81Å; L71-L121 PolarHBondContact O-N 3.19Å; L73-L121 HydrophobicContact CD1-CD1 3.77Å; A87-L121 HydrophobicContact CB-CD1 4.47Å; V109-L121 HydrophobicContact CG1-CD2 4.38Å; L111-L121 HydrophobicContact CD1-CD1 4.12Å; L111-L121 HydrophobicContact CD2-CD1 3.63Å; L111-L121 HydrophobicContact CD2-CD2 3.72Å; L111-L121 HydrophobicContact CD2-CG 4.2Å; I119-L121 HydrophobicContact CG2-CD2 4.05Å; I119-L121 HydrophobicContact CG2-CG 4.3Å; L121-Y123 HydrophobicContact CB-CE1 3.9Å; L121-Y123 HydrophobicContact CD1-CE1 4.33Å; L121-Y123 VanDerWaalsContact CD1-OH 3.25Å; L121-Y123 WeakPolarHBondContact CD1-OH 3.3Å
122	L	72.6	Confident	65.9	Low	45 Å²	45	48 Å²	48	24%	0.236	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.6	175.3	168.7	56.5	0	0	0	109	Y70 Q89 V193	Y70-L122 HydrophobicContact CD1-CD1 4.23Å; Y70-L122 HydrophobicContact CD2-CD1 4.44Å; Y70-L122 HydrophobicContact CE1-CB 4.47Å; Y70-L122 HydrophobicContact CE1-CD1 3.79Å; Y70-L122 HydrophobicContact CE1-CD2 4.33Å; Y70-L122 HydrophobicContact CE1-CG 4.42Å; Y70-L122 HydrophobicContact CE2-CD1 4Å; Q89-L122 PolarHBondContact NE2-O 2.99Å; Q89-L122 VanDerWaalsContact NE2-O 3.16Å; L122-V193 HydrophobicContact CD2-CB 3.92Å; L122-V193 HydrophobicContact CD2-CG1 3.76Å
123	Y	71.9	Confident	65.6	Low	6 Å²	6	49.3 Å²	49.3	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.4	174.8	-54.5	-27.1	0	0	0	110.9	I69 L71 A87 Q89 L121 A128 L130	I69-Y123 PolarHBondContact N-O 2.77Å; I69-Y123 PolarHBondContact O-N 3.44Å; L71-Y123 HydrophobicContact CD1-CD2 3.28Å; L71-Y123 HydrophobicContact CD1-CE2 3.24Å; L71-Y123 HydrophobicContact CD1-CG 4.01Å; L71-Y123 HydrophobicContact CD2-CD2 4.47Å; L71-Y123 HydrophobicContact CD2-CE2 3.76Å; L71-Y123 HydrophobicContact CG-CE2 4.17Å; A87-Y123 WeakPolarHBondContact CB-OH 3.22Å; Q89-Y123 HydrophobicContact CG-CD1 3.69Å; Q89-Y123 HydrophobicContact CG-CE1 4.06Å; Q89-Y123 HydrophobicContact CG-CG 4.4Å; L121-Y123 HydrophobicContact CB-CE1 3.9Å; L121-Y123 HydrophobicContact CD1-CE1 4.33Å; L121-Y123 VanDerWaalsContact CD1-OH 3.25Å; L121-Y123 WeakPolarHBondContact CD1-OH 3.3Å; Y123-A128 HydrophobicContact CD1-CB 4.28Å; Y123-A128 HydrophobicContact CD2-CB 3.08Å; Y123-A128 HydrophobicContact CE1-CB 4.48Å; Y123-A128 HydrophobicContact CE2-CB 3.33Å; Y123-A128 HydrophobicContact CG-CB 3.61Å; Y123-L130 HydrophobicContact CE2-CD1 4.04Å; Y123-L130 WeakPolarHBondContact OH-CD1 3.29Å
124	D	66.8	Low	65.4	Low	79 Å²	79	47.3 Å²	47.3	42%	0.422	23%	0.225	S	C	.	.			trans	-121.9	-2.9	-175.2	81.2	-38.7	0	0	0	114.1	P64 K161	P64-D124 WeakPolarHBondContact CB-O 3.27Å; D124-K161 PolarHBondContact O-NZ 3.32Å
125	K	70.8	Confident	65.1	Low	62 Å²	62	49.3 Å²	49.3	27%	0.27	24%	0.237	S	C	.	.	S	Bend	trans	-95.2	173.9	179.9	-58.3	-167.9	175.2	-175.9	0	113.5	N61 Q89 D91 F127	N61-K125 VanDerWaalsContact CB-O 3.27Å; N61-K125 WeakPolarHBondContact CB-O 3.13Å; Q89-K125 HydrophobicContact CB-CD 3.94Å; Q89-K125 HydrophobicContact CB-CG 4.4Å; D91-K125 WeakPolarHBondContact OD1-CB 3.45Å; D91-K125 WeakPolarHBondContact OD1-CG 3.08Å; D91-K125 IonicContact OD2-NZ 3.77Å; K125-F127 PolarHBondContact O-N 2.99Å
126	N	68.3	Low	64.6	Low	56 Å²	56	51.4 Å²	51.4	30%	0.299	24%	0.241	S	C	.	.	S	Bend	trans	-59.7	-39.5	178.4	-76.6	-40.6	0	0	0	113.4	N61 P64 D91	N61-N126 PolarHBondContact N-O 3.3Å; P64-N126 WeakPolarHBondContact CD-OD1 3.13Å; P64-N126 WeakPolarHBondContact CG-OD1 3.37Å; D91-N126 PolarHBondContact O-ND2 3.15Å
127	F	67.2	Low	63.8	Low	28 Å²	28	56.1 Å²	56.1	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.1	-175.6	-59.5	-88.5	0	0	0	111.5	T58 L59 E60 Q89 F90 Y93 K125	T58-F127 HydrophobicContact CG2-CB 4.39Å; T58-F127 HydrophobicContact CG2-CD1 4.23Å; L59-F127 WeakPolarHBondContact O-CA 3.48Å; E60-F127 HydrophobicContact CB-CD1 4.19Å; E60-F127 HydrophobicContact CB-CE1 4.08Å; E60-F127 HydrophobicContact CG-CD1 4.13Å; E60-F127 HydrophobicContact CG-CE1 3.66Å; E60-F127 HydrophobicContact CG-CZ 4.17Å; E60-F127 WeakPolarHBondContact OE2-CE1 3.14Å; Q89-F127 WeakPolarHBondContact CA-O 3.45Å; F90-F127 HydrophobicContact CD2-CB 3.63Å; F90-F127 HydrophobicContact CD2-CD2 4.16Å; F90-F127 HydrophobicContact CD2-CG 4.15Å; F90-F127 HydrophobicContact CE1-CB 4.43Å; F90-F127 HydrophobicContact CE2-CB 3.34Å; F90-F127 HydrophobicContact CE2-CD2 4.16Å; F90-F127 AromaticContact CE2-CG 3.79Å; F90-F127 HydrophobicContact CE2-CG 3.79Å; F90-F127 HydrophobicContact CG-CB 4.3Å; F90-F127 HydrophobicContact CZ-CB 3.79Å; F90-F127 PolarHBondContact N-O 3.44Å; F90-F127 WeakPolarHBondContact O-CB 3.18Å; F90-F127 PolarHBondContact O-N 2.91Å; Y93-F127 AromaticContact CD2-CD1 3.98Å; Y93-F127 HydrophobicContact CD2-CD1 3.98Å; Y93-F127 HydrophobicContact CD2-CE1 4.13Å; Y93-F127 HydrophobicContact CD2-CG 4.47Å; Y93-F127 HydrophobicContact CG-CD1 4.42Å; Y93-F127 HydrophobicContact CG-CE1 4.17Å; Y93-F127 HydrophobicContact CG-CZ 4.46Å; K125-F127 PolarHBondContact O-N 2.99Å
128	A	70.3	Confident	62.9	Low	5 Å²	5	58.4 Å²	58.4	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131	165	0	0	0	0	0	110.2	T58 L59 Y88 Y123	T58-A128 CarbonylContact C-O 3.59Å; T58-A128 WeakPolarHBondContact CA-O 3.34Å; L59-A128 PolarHBondContact N-O 3.15Å; L59-A128 PolarHBondContact O-N 3.42Å; Y88-A128 VanDerWaalsContact O-CA 3.31Å; Y88-A128 WeakPolarHBondContact O-CA 3.35Å; Y123-A128 HydrophobicContact CD1-CB 4.28Å; Y123-A128 HydrophobicContact CD2-CB 3.08Å; Y123-A128 HydrophobicContact CE1-CB 4.48Å; Y123-A128 HydrophobicContact CE2-CB 3.33Å; Y123-A128 HydrophobicContact CG-CB 3.61Å
129	Q	66	Low	62	Low	6 Å²	6	63.8 Å²	63.8	3%	0.028	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.8	178.1	-179.4	172	97.4	0	0	109.5	T56 W57 T58 A87 Y88 F90	T56-Q129 HydrophobicContact CG2-CG 3.72Å; W57-Q129 WeakPolarHBondContact O-CA 3.44Å; T58-Q129 HydrophobicContact CG2-CB 4.27Å; T58-Q129 PolarHBondContact OG1-NE2 2.89Å; A87-Q129 WeakPolarHBondContact CA-O 3.25Å; Y88-Q129 HydrophobicContact CD2-CB 4.29Å; Y88-Q129 HydrophobicContact CD2-CG 4.38Å; Y88-Q129 PolarHBondContact N-O 3.32Å; Y88-Q129 PolarHBondContact O-N 2.96Å; F90-Q129 HydrophobicContact CE1-CB 3.73Å; F90-Q129 HydrophobicContact CZ-CB 4.09Å
130	L	67.9	Low	61.1	Low	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.1	165.4	-72.7	87.8	0	0	0	111.1	W57 L85 L86 A87 L111 Y123	W57-L130 HydrophobicContact CD2-CB 3.88Å; W57-L130 HydrophobicContact CE3-CB 4.1Å; W57-L130 HydrophobicContact CE3-CD1 3.99Å; W57-L130 HydrophobicContact CH2-CB 3.67Å; W57-L130 HydrophobicContact CH2-CD1 3.46Å; W57-L130 VanDerWaalsContact CH2-CD1 3.46Å; W57-L130 HydrophobicContact CH2-CD2 3.53Å; W57-L130 HydrophobicContact CH2-CG 3.69Å; W57-L130 HydrophobicContact CZ2-CB 3.42Å; W57-L130 VanDerWaalsContact CZ2-CB 3.42Å; W57-L130 HydrophobicContact CZ2-CD1 4.17Å; W57-L130 HydrophobicContact CZ2-CD2 3.73Å; W57-L130 HydrophobicContact CZ2-CG 3.92Å; W57-L130 HydrophobicContact CZ3-CB 4.01Å; W57-L130 HydrophobicContact CZ3-CD1 3.36Å; W57-L130 HydrophobicContact CZ3-CD2 4.34Å; W57-L130 HydrophobicContact CZ3-CG 4.06Å; W57-L130 PolarHBondContact N-O 2.97Å; W57-L130 VanDerWaalsContact N-O 3.12Å; W57-L130 PolarHBondContact O-N 3.04Å; L85-L130 HydrophobicContact CD2-CD2 4.22Å; L86-L130 VanDerWaalsContact O-CA 3.27Å; L86-L130 WeakPolarHBondContact O-CA 3.38Å; A87-L130 HydrophobicContact CB-CD1 4.3Å; A87-L130 HydrophobicContact CB-CD2 3.93Å; A87-L130 HydrophobicContact CB-CG 3.76Å; L111-L130 HydrophobicContact CD1-CD2 3.49Å; L111-L130 VanDerWaalsContact CD1-CD2 3.49Å; Y123-L130 HydrophobicContact CE2-CD1 4.04Å; Y123-L130 WeakPolarHBondContact OH-CD1 3.29Å
131	R	63.3	Low	59.9	Low	58 Å²	58	70.9 Å²	70.9	22%	0.219	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.5	-170.7	-170.6	178.3	-179.9	-160.9	-1.3	110.4	T56 L86 Y88 V133	T56-R131 HydrophobicContact CG2-CB 4.12Å; T56-R131 HydrophobicContact CG2-CG 4.16Å; L86-R131 PolarHBondContact N-O 3.41Å; L86-R131 PolarHBondContact O-N 3.48Å; Y88-R131 HydrophobicContact CE2-CB 3.82Å; R131-V133 HydrophobicContact CG-CG2 3.95Å
132	R	64.4	Low	58.2	Low	61 Å²	61	74.9 Å²	74.9	23%	0.23	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.1	170.3	-170.6	165.7	-176	-155.8	-4.8	108.9	T53 N54 Y83 L85 F134	T53-R132 PolarHBondContact O-NH1 3.42Å; N54-R132 PolarHBondContact OD1-NH1 3.01Å; Y83-R132 HydrophobicContact CD2-CG 3.47Å; Y83-R132 VanDerWaalsContact CD2-CG 3.47Å; Y83-R132 HydrophobicContact CE2-CG 3.86Å; Y83-R132 HydrophobicContact CG-CG 3.93Å; Y83-R132 VanDerWaalsContact CZ-NE 3.33Å; L85-R132 HydrophobicContact CD1-CB 4.39Å; R132-F134 HydrophobicContact CG-CE2 4.23Å; R132-F134 HydrophobicContact CG-CZ 4.26Å
133	V	58.8	Low	56.7	Low	47 Å²	47	78.9 Å²	78.9	29%	0.285	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.7	-178.6	-178	0	0	0	0	109.6	S84 L86 R131	S84-V133 PolarHBondContact N-O 3.48Å; S84-V133 PolarHBondContact O-N 2.82Å; S84-V133 PolarHBondContact OG-O 3.48Å; L86-V133 HydrophobicContact CD1-CB 4.49Å; L86-V133 HydrophobicContact CD1-CG2 3.87Å; L86-V133 HydrophobicContact CG-CG2 4.45Å; R131-V133 HydrophobicContact CG-CG2 3.95Å
134	F	54.9	Low	54.9	Low	84 Å²	84	86.5 Å²	86.5	37%	0.368	45%	0.446	S	S	.	.			trans	-83.6	156	179.3	-63	-87.3	0	0	0	111.8	R132	R132-F134 HydrophobicContact CG-CE2 4.23Å; R132-F134 HydrophobicContact CG-CZ 4.26Å
135	P	54.2	Low	53.7	Low	75 Å²	75	91.5 Å²	91.5	49%	0.487	46%	0.464	S	S	.	.			trans	-61.2	149.6	168.9	-20.3	32.9	0	0	0	112.2	E82 D137 Y138	E82-P135 WeakPolarHBondContact O-CD 3.35Å; P135-D137 PolarHBondContact O-N 3.14Å; P135-Y138 PolarHBondContact O-N 2.87Å
136	Y	45.8	Very low	51.9	Low	240 Å²	240	94.2 Å²	94.2	94%	0.941	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23	-177.1	-76.5	-81.8	0	0	0	114.6
137	D	45.5	Very low	50.5	Low	148 Å²	148	98.8 Å²	98.8	79%	0.791	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	8.4	-177.8	-61.1	-52.7	0	0	0	114.3	P135 N139	P135-D137 PolarHBondContact O-N 3.14Å; D137-N139 PolarHBondContact O-N 2.85Å
138	Y	43.2	Very low	49	Very low	99 Å²	99	104.8 Å²	104.8	39%	0.388	53%	0.534	S	S	.	.			trans	-75.9	85.2	-175.9	-160.8	-84	0	0	0	112.2	E82 P135 G140	E82-Y138 HydrophobicContact CB-CE2 4.18Å; E82-Y138 HydrophobicContact CG-CE2 4.39Å; E82-Y138 WeakPolarHBondContact OE2-CE2 3.41Å; E82-Y138 PolarHBondContact OE2-OH 2.9Å; P135-Y138 PolarHBondContact O-N 2.87Å; Y138-G140 VanDerWaalsContact C-N 3.26Å; Y138-G140 PolarHBondContact O-N 3.18Å
139	N	44.5	Very low	47.5	Very low	160 Å²	160	112.3 Å²	112.3	86%	0.856	57%	0.568	S	S	*	*			trans	-68.7	78.9	169.5	-74	-52.7	0	0	0	110.7	D137 L141	D137-N139 PolarHBondContact O-N 2.85Å; N139-L141 PolarHBondContact O-N 2.97Å; N139-L141 VanDerWaalsContact O-N 3.12Å
140	G	50	Low	46.2	Very low	55 Å²	55	117.4 Å²	117.4	57%	0.567	59%	0.592	S	S	*	*			trans	-62.4	109.5	-168.8	0	0	0	0	0	114.6	Y138	Y138-G140 VanDerWaalsContact C-N 3.26Å; Y138-G140 PolarHBondContact O-N 3.18Å
141	L	43.2	Very low	45	Very low	153 Å²	153	123.3 Å²	123.3	80%	0.801	62%	0.62	S	S	*	*			trans	-158.4	58.7	176.7	-124.1	177.1	0	0	0	114.2	N139	N139-L141 PolarHBondContact O-N 2.97Å; N139-L141 VanDerWaalsContact O-N 3.12Å
142	T	33.1	Very low	44.2	Very low	104 Å²	104	122.9 Å²	122.9	64%	0.638	63%	0.626	S	S	*	*			trans	-140.4	98.9	173.2	28.5	0	0	0	0	112.9	Q144	T142-Q144 PolarHBondContact O-N 3.19Å
143	P	40.7	Very low	43.7	Very low	129 Å²	129	122 Å²	122	84%	0.838	63%	0.625	S	S	*	*			trans	-86.9	75.1	166.7	34.7	-31.9	0	0	0	110.1
144	Q	34	Very low	43.6	Very low	166 Å²	166	120.2 Å²	120.2	78%	0.776	61%	0.614	S	S	*	*			trans	-76.7	130.7	166.4	-82.5	-169.8	-18.7	0	0	110	T142	T142-Q144 PolarHBondContact O-N 3.19Å
145	K	41.8	Very low	44.2	Very low	184 Å²	184	118.4 Å²	118.4	80%	0.8	61%	0.607	S	S	*	*			trans	-76.5	121.2	164	-74.2	-173.7	168.1	-160.4	0	109
146	L	33.8	Very low	45	Very low	120 Å²	120	115.3 Å²	115.3	63%	0.628	59%	0.585	S	S	*	*			trans	-123.5	105.1	147	-84.1	89.9	0	0	0	107.5	E148	L146-E148 PolarHBondContact O-N 2.84Å
147	D	38.7	Very low	46.1	Very low	152 Å²	152	103.9 Å²	103.9	81%	0.813	54%	0.541	S	S	*	.			trans	-87	64.5	160	-74.8	-68.1	0	0	0	107.5
148	E	35.1	Very low	47.3	Very low	153 Å²	153	97.6 Å²	97.6	72%	0.715	51%	0.508	S	S	*	.			trans	-125	141.3	175.3	-68.3	-167.5	151.3	0	0	110.5	L146 E150	L146-E148 PolarHBondContact O-N 2.84Å; E148-E150 PolarHBondContact O-N 3.09Å
149	E	37.9	Very low	48.5	Very low	163 Å²	163	93.1 Å²	93.1	76%	0.762	49%	0.491	S	S	*	.			trans	-19.3	100.5	-170.4	-56.2	-169.8	161.1	0	0	118.5	Q151	E149-Q151 HydrophobicContact CB-CG 4.39Å; E149-Q151 PolarHBondContact O-N 3.08Å; E149-Q151 PolarHBondContact OE2-NE2 3.34Å
150	E	39.8	Very low	49.8	Very low	113 Å²	113	87.6 Å²	87.6	53%	0.528	46%	0.461	S	S	.	.			trans	-67.7	73.2	156.8	-73	-172.4	124.3	0	0	110.3	K50 E148	K50-E150 IonicContact NZ-OE2 2.67Å; K50-E150 PolarHBondContact NZ-OE2 3.26Å; E148-E150 PolarHBondContact O-N 3.09Å
151	Q	43.4	Very low	50.7	Low	125 Å²	125	88.4 Å²	88.4	58%	0.584	45%	0.449	S	S	*	.			trans	-64	158.6	158.9	-66.6	-163.7	17.8	0	0	109.8	E149 I153	E149-Q151 HydrophobicContact CB-CG 4.39Å; E149-Q151 PolarHBondContact O-N 3.08Å; E149-Q151 PolarHBondContact OE2-NE2 3.34Å; Q151-I153 WeakPolarHBondContact O-CG1 3.43Å; Q151-I153 PolarHBondContact O-N 3.41Å
152	S	45.7	Very low	51.6	Low	49 Å²	49	84.2 Å²	84.2	34%	0.343	44%	0.436	S	S	.	.			trans	-71.6	89.3	-169	53.3	0	0	0	0	112.5	L154	S152-L154 PolarHBondContact O-N 3.01Å
153	I	54.3	Low	53.1	Low	43 Å²	43	83.1 Å²	83.1	22%	0.221	43%	0.433	C	S	.	.	S	Bend	trans	-44	-28.4	-179.5	-51.8	179.7	0	0	0	113.5	D77 L78 Q151	D77-I153 HydrophobicContact CB-CB 4.48Å; D77-I153 HydrophobicContact CB-CG1 4.27Å; D77-I153 HydrophobicContact CB-CG2 4.3Å; L78-I153 HydrophobicContact CD2-CG2 4.45Å; Q151-I153 WeakPolarHBondContact O-CG1 3.43Å; Q151-I153 PolarHBondContact O-N 3.41Å
154	L	57.2	Low	54.3	Low	10 Å²	10	78.3 Å²	78.3	5%	0.052	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.1	176.3	165.9	68.5	0	0	0	111.1	V44 W57 L71 L73 S152	V44-L154 HydrophobicContact CG2-CB 3.64Å; V44-L154 HydrophobicContact CG2-CD2 3.67Å; V44-L154 HydrophobicContact CG2-CG 3.8Å; V44-L154 PolarHBondContact N-O 3.43Å; W57-L154 HydrophobicContact CH2-CD2 3.25Å; W57-L154 HydrophobicContact CZ2-CD2 4.02Å; W57-L154 HydrophobicContact CZ3-CD2 3.64Å; L71-L154 HydrophobicContact CB-CD1 3.92Å; L71-L154 HydrophobicContact CD2-CD1 3.9Å; L71-L154 HydrophobicContact CD2-CD2 4.34Å; L71-L154 HydrophobicContact CG-CD1 4.36Å; L73-L154 HydrophobicContact CD2-CB 3.88Å; L73-L154 HydrophobicContact CD2-CD1 3.64Å; L73-L154 HydrophobicContact CD2-CG 4.25Å; L73-L154 HydrophobicContact CG-CD1 3.86Å; S152-L154 PolarHBondContact O-N 3.01Å
155	E	67.2	Low	55.8	Low	45 Å²	45	73.6 Å²	73.6	21%	0.21	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.3	163.3	-70.7	163.7	-122	0	0	109.7	L71 K72 W175	L71-E155 WeakPolarHBondContact CA-O 3.46Å; K72-E155 HydrophobicContact CB-CB 4.36Å; K72-E155 PolarHBondContact N-O 3.37Å; K72-E155 VanDerWaalsContact NZ-CD 3.34Å; K72-E155 IonicContact NZ-OE1 3.09Å; K72-E155 PolarHBondContact NZ-OE1 3.3Å; K72-E155 IonicContact NZ-OE2 2.72Å; K72-E155 PolarHBondContact NZ-OE2 3.21Å; K72-E155 PolarHBondContact O-N 3.19Å; E155-W175 HydrophobicContact CB-CH2 4.33Å; E155-W175 HydrophobicContact CB-CZ2 3.71Å; E155-W175 PolarHBondContact OE2-NE1 2.83Å
156	F	69.4	Low	56.7	Low	10 Å²	10	73 Å²	73	4%	0.044	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.4	170.6	75.1	-78.9	0	0	0	113.1	I38 S41 Y42 M47 L59 I69 Y70 L71	I38-F156 HydrophobicContact CB-CE2 4.49Å; I38-F156 HydrophobicContact CD1-CE2 3.98Å; I38-F156 HydrophobicContact CD1-CZ 4.05Å; I38-F156 HydrophobicContact CG2-CE2 3.71Å; I38-F156 HydrophobicContact CG2-CZ 3.94Å; S41-F156 VanDerWaalsContact CA-O 3.31Å; S41-F156 WeakPolarHBondContact CA-O 3.38Å; Y42-F156 HydrophobicContact CD2-CZ 4.35Å; Y42-F156 PolarHBondContact N-O 2.03Å; Y42-F156 VanDerWaalsContact N-O 3.09Å; Y42-F156 PolarHBondContact O-N 3.42Å; M47-F156 HydrophobicContact CE-CZ 3.95Å; M47-F156 HydrophobicContact SD-CE1 4.2Å; M47-F156 HydrophobicContact SD-CZ 3.79Å; L59-F156 HydrophobicContact CD2-CD2 4.35Å; L59-F156 HydrophobicContact CD2-CE2 4.44Å; I69-F156 HydrophobicContact CG2-CD2 4.17Å; Y70-F156 CarbonylContact O-C 3.44Å; Y70-F156 VanDerWaalsContact O-CA 3.28Å; Y70-F156 WeakPolarHBondContact O-CA 3.11Å; L71-F156 HydrophobicContact CB-CB 4.49Å; L71-F156 HydrophobicContact CD2-CB 4.29Å; L71-F156 HydrophobicContact CG-CB 3.82Å
157	L	69.9	Low	58	Low	1 Å²	1	73 Å²	73	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.6	-170.2	172.9	67.7	0	0	0	110	Y70 L159 G168 V171 L172 W175	Y70-L157 PolarHBondContact N-O 2.73Å; Y70-L157 PolarHBondContact O-N 3.29Å; L157-L159 HydrophobicContact CD1-CD2 4.26Å; L157-L159 HydrophobicContact CD2-CD1 4.2Å; L157-L159 HydrophobicContact CD2-CD2 4.19Å; L157-L159 HydrophobicContact CD2-CG 4.15Å; L157-L159 HydrophobicContact CG-CD2 4.14Å; L157-L159 HydrophobicContact CG-CG 4.1Å; L157-G168 WeakPolarHBondContact CD2-O 3.25Å; L157-V171 HydrophobicContact CD2-CB 4.4Å; L157-V171 HydrophobicContact CD2-CG1 4.23Å; L157-L172 HydrophobicContact CD2-CB 4.14Å; L157-L172 HydrophobicContact CD2-CD1 3.99Å; L157-W175 HydrophobicContact CB-CH2 3.63Å; L157-W175 HydrophobicContact CB-CZ2 4.27Å; L157-W175 HydrophobicContact CB-CZ3 4.15Å
158	V	71.1	Confident	59.3	Low	16 Å²	16	65.9 Å²	65.9	10%	0.097	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.3	177	-173.8	0	0	0	0	110.2	I38 Y67 I69	I38-V158 HydrophobicContact CB-CG2 4.44Å; I38-V158 WeakPolarHBondContact O-CG2 3.44Å; Y67-V158 HydrophobicContact CD1-CG1 4.18Å; Y67-V158 HydrophobicContact CG-CG1 4.27Å; I69-V158 HydrophobicContact CG1-CG2 4.28Å; I69-V158 HydrophobicContact CG2-CG2 4.39Å
159	L	68.3	Low	60.9	Low	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.8	178.7	-63.9	179.8	0	0	0	112	Y67 S68 Y70 L157 P164 L172	Y67-L159 WeakPolarHBondContact CA-O 3.48Å; S68-L159 PolarHBondContact N-O 3.01Å; S68-L159 PolarHBondContact O-N 2.94Å; Y70-L159 HydrophobicContact CD2-CB 4.25Å; Y70-L159 HydrophobicContact CD2-CD1 3.92Å; Y70-L159 HydrophobicContact CD2-CG 4.1Å; Y70-L159 HydrophobicContact CE2-CB 3.94Å; Y70-L159 HydrophobicContact CE2-CD1 3.79Å; Y70-L159 HydrophobicContact CE2-CG 4.14Å; L157-L159 HydrophobicContact CD1-CD2 4.26Å; L157-L159 HydrophobicContact CD2-CD1 4.2Å; L157-L159 HydrophobicContact CD2-CD2 4.19Å; L157-L159 HydrophobicContact CD2-CG 4.15Å; L157-L159 HydrophobicContact CG-CD2 4.14Å; L157-L159 HydrophobicContact CG-CG 4.1Å; L159-P164 HydrophobicContact CB-CB 4.46Å; L159-P164 HydrophobicContact CD2-CB 4.35Å; L159-L172 HydrophobicContact CD1-CD1 4.47Å; L159-L172 HydrophobicContact CD1-CD2 4.2Å
160	N	71.1	Confident	62.1	Low	43 Å²	43	57.2 Å²	57.2	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126	174.1	176.9	-30.4	0	0	0	110.3	K66 Y67 A162 S163	K66-N160 CarbonylContact O-C 3.54Å; K66-N160 WeakPolarHBondContact O-CA 3.41Å; Y67-N160 HydrophobicContact CD1-CB 4.06Å; Y67-N160 HydrophobicContact CE1-CB 3.92Å; N160-A162 VanDerWaalsContact C-N 3.3Å; N160-A162 PolarHBondContact O-N 3.36Å; N160-A162 WeakPolarHBondContact OD1-CA 3.44Å; N160-A162 WeakPolarHBondContact OD1-CB 2.98Å; N160-A162 PolarHBondContact OD1-N 3.27Å; N160-S163 WeakPolarHBondContact CB-O 3.41Å; N160-S163 PolarHBondContact ND2-OG 2.91Å; N160-S163 PolarHBondContact OD1-N 3.43Å; N160-S163 VanDerWaalsContact OD1-N 3.09Å
161	K	68.5	Low	63.6	Low	73 Å²	73	52.9 Å²	52.9	32%	0.317	29%	0.286	S	S	.	.	S	Bend	trans	-64.8	-29.3	-178	-69	178.9	172.8	179.1	0	113.1	P64 K66 Y67 S68 D124 K196	P64-K161 WeakPolarHBondContact O-CE 3.44Å; P64-K161 PolarHBondContact O-NZ 2.79Å; K66-K161 PolarHBondContact O-N 2.81Å; Y67-K161 WeakPolarHBondContact O-CE 3.12Å; S68-K161 WeakPolarHBondContact OG-CE 3.42Å; S68-K161 WeakPolarHBondContact OG-CG 3.49Å; D124-K161 PolarHBondContact O-NZ 3.32Å; K161-K196 VanDerWaalsContact O-CE 3.31Å; K161-K196 WeakPolarHBondContact O-CE 3.46Å
162	A	63.4	Low	64.8	Low	65 Å²	65	47.3 Å²	47.3	54%	0.537	26%	0.261	S	S	.	.	S	Bend	trans	-85.2	-46.9	179.6	0	0	0	0	0	112.1	N160 K196	N160-A162 VanDerWaalsContact C-N 3.3Å; N160-A162 PolarHBondContact O-N 3.36Å; N160-A162 WeakPolarHBondContact OD1-CA 3.44Å; N160-A162 WeakPolarHBondContact OD1-CB 2.98Å; N160-A162 PolarHBondContact OD1-N 3.27Å; A162-K196 WeakPolarHBondContact O-CD 3.39Å; A162-K196 PolarHBondContact O-NZ 3.14Å
163	S	64.5	Low	66	Low	80 Å²	80	45.4 Å²	45.4	56%	0.559	25%	0.247	S	C	*	.	S	Bend	trans	-148.3	86.1	-171.2	57.8	0	0	0	0	111.1	N160	N160-S163 WeakPolarHBondContact CB-O 3.41Å; N160-S163 PolarHBondContact ND2-OG 2.91Å; N160-S163 PolarHBondContact OD1-N 3.43Å; N160-S163 VanDerWaalsContact OD1-N 3.09Å
164	P	65.7	Low	66.9	Low	29 Å²	29	46.2 Å²	46.2	19%	0.188	25%	0.254	C	S	.	.			trans	-68.7	150.8	179.6	30.5	-36	0	0	0	111.4	L159 K196	L159-P164 HydrophobicContact CB-CB 4.46Å; L159-P164 HydrophobicContact CD2-CB 4.35Å; P164-K196 HydrophobicContact CG-CB 3.99Å
165	S	65.8	Low	67.7	Low	66 Å²	66	46.2 Å²	46.2	46%	0.462	25%	0.253	S	S	.	.			trans	-77	144.9	-179.9	60.7	0	0	0	0	111.5	F167 G168 C169	S165-F167 VanDerWaalsContact C-N 3.28Å; S165-F167 PolarHBondContact O-N 3.14Å; S165-G168 PolarHBondContact O-N 2.73Å; S165-G168 PolarHBondContact OG-N 2.98Å; S165-C169 PolarHBondContact O-N 2.85Å; S165-C169 PolarHBondContact O-SG 2.81Å
166	Q	60.8	Low	67.8	Low	173 Å²	173	46.3 Å²	46.3	81%	0.808	26%	0.255	S	S	*	.	H	α-helix	trans	-54.6	-43.4	178.8	-175	-179.3	2.3	0	0	112.3	C169 Q170	Q166-C169 PolarHBondContact O-N 2.84Å; Q166-Q170 WeakPolarHBondContact O-CB 3.37Å; Q166-Q170 PolarHBondContact O-N 3.1Å
167	F	60.3	Low	67.7	Low	120 Å²	120	48.7 Å²	48.7	53%	0.526	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-46.1	174.8	175.5	-97.5	0	0	0	112.5	S165 C169 Q170 V171	S165-F167 VanDerWaalsContact C-N 3.28Å; S165-F167 PolarHBondContact O-N 3.14Å; F167-C169 VanDerWaalsContact C-N 3.33Å; F167-C169 PolarHBondContact O-N 3.12Å; F167-Q170 WeakPolarHBondContact O-CB 3.19Å; F167-Q170 PolarHBondContact O-N 3.24Å; F167-V171 HydrophobicContact CD1-CG2 4.45Å; F167-V171 HydrophobicContact CE1-CG2 3.97Å; F167-V171 HydrophobicContact CE2-CG2 4.31Å; F167-V171 HydrophobicContact CZ-CG2 3.9Å; F167-V171 WeakPolarHBondContact O-CG2 3.3Å; F167-V171 PolarHBondContact O-N 3.19Å
168	G	66.4	Low	67.7	Low	1 Å²	1	51.7 Å²	51.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-38.6	178.1	0	0	0	0	0	112.3	L157 S165 L172	L157-G168 WeakPolarHBondContact CD2-O 3.25Å; S165-G168 PolarHBondContact O-N 2.73Å; S165-G168 PolarHBondContact OG-N 2.98Å; G168-L172 WeakPolarHBondContact O-CB 3.47Å; G168-L172 PolarHBondContact O-N 3.33Å; G168-L172 VanDerWaalsContact O-N 3.09Å
169	C	67.8	Low	67.5	Low	13 Å²	13	51 Å²	51	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-44.6	171	-69.6	0	0	0	0	112.2	S165 Q166 F167 V171 L172 C173 C197	S165-C169 PolarHBondContact O-N 2.85Å; S165-C169 PolarHBondContact O-SG 2.81Å; Q166-C169 PolarHBondContact O-N 2.84Å; F167-C169 VanDerWaalsContact C-N 3.33Å; F167-C169 PolarHBondContact O-N 3.12Å; C169-V171 PolarHBondContact O-N 2.86Å; C169-L172 WeakPolarHBondContact O-CB 3.37Å; C169-L172 PolarHBondContact O-N 2.83Å; C169-C173 PolarHBondContact O-N 2.87Å; C169-C173 PolarHBondContact O-SG 2.54Å; C169-C197 WeakPolarHBondContact CA-SG 3.5Å; C169-C197 HydrophobicContact CB-CB 3.47Å; C169-C197 VanDerWaalsContact CB-CB 3.47Å; C169-C197 WeakPolarHBondContact CB-SG 3.39Å; C169-C197 WeakPolarHBondContact SG-CA 3.4Å; C169-C197 WeakPolarHBondContact SG-CB 3.41Å; C169-C197 CovalentContact SG-SG 2.04Å; C169-C197 PolarHBondContact SG-SG 2.64Å
170	Q	64.5	Low	67.3	Low	121 Å²	121	53.1 Å²	53.1	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-46.2	177.6	-173.9	177.9	0	0	0	111.7	Q166 F167 L172 C173 T174	Q166-Q170 WeakPolarHBondContact O-CB 3.37Å; Q166-Q170 PolarHBondContact O-N 3.1Å; F167-Q170 WeakPolarHBondContact O-CB 3.19Å; F167-Q170 PolarHBondContact O-N 3.24Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 2.88Å; Q170-C173 PolarHBondContact O-N 3.25Å; Q170-T174 PolarHBondContact O-N 2.94Å; Q170-T174 PolarHBondContact O-OG1 2.63Å; Q170-T174 VanDerWaalsContact O-OG1 3.1Å
171	V	70.3	Confident	67	Low	23 Å²	23	57.3 Å²	57.3	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-46.2	174.7	173.1	0	0	0	0	111.2	L157 F167 C169 C173 T174 W175	L157-V171 HydrophobicContact CD2-CB 4.4Å; L157-V171 HydrophobicContact CD2-CG1 4.23Å; F167-V171 HydrophobicContact CD1-CG2 4.45Å; F167-V171 HydrophobicContact CE1-CG2 3.97Å; F167-V171 HydrophobicContact CE2-CG2 4.31Å; F167-V171 HydrophobicContact CZ-CG2 3.9Å; F167-V171 WeakPolarHBondContact O-CG2 3.3Å; F167-V171 PolarHBondContact O-N 3.19Å; C169-V171 PolarHBondContact O-N 2.86Å; V171-C173 VanDerWaalsContact C-N 3.35Å; V171-C173 PolarHBondContact O-N 3.16Å; V171-T174 PolarHBondContact O-N 2.67Å; V171-W175 HydrophobicContact CG1-CD2 4.4Å; V171-W175 HydrophobicContact CG1-CZ2 4.17Å; V171-W175 PolarHBondContact O-N 3.22Å
172	L	69.3	Low	66.6	Low	8 Å²	8	56.5 Å²	56.5	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-39.9	178.7	-163.3	82.9	0	0	0	112.4	Y70 L157 L159 G168 C169 Q170 W175 L176 I192 T195 C197	Y70-L172 HydrophobicContact CD1-CD1 4.11Å; Y70-L172 HydrophobicContact CG-CD1 4.2Å; L157-L172 HydrophobicContact CD2-CB 4.14Å; L157-L172 HydrophobicContact CD2-CD1 3.99Å; L159-L172 HydrophobicContact CD1-CD1 4.47Å; L159-L172 HydrophobicContact CD1-CD2 4.2Å; G168-L172 WeakPolarHBondContact O-CB 3.47Å; G168-L172 PolarHBondContact O-N 3.33Å; G168-L172 VanDerWaalsContact O-N 3.09Å; C169-L172 WeakPolarHBondContact O-CB 3.37Å; C169-L172 PolarHBondContact O-N 2.83Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 2.88Å; L172-W175 HydrophobicContact CD1-CE3 4.21Å; L172-W175 WeakPolarHBondContact O-CB 3.24Å; L172-W175 PolarHBondContact O-N 2.63Å; L172-L176 PolarHBondContact O-N 2.72Å; L172-L176 VanDerWaalsContact O-N 3.14Å; L172-I192 HydrophobicContact CD1-CD1 4.06Å; L172-I192 HydrophobicContact CD1-CG2 4.07Å; L172-I192 HydrophobicContact CD2-CG2 4.16Å; L172-I192 HydrophobicContact CG-CD1 3.94Å; L172-I192 HydrophobicContact CG-CG2 4.27Å; L172-T195 HydrophobicContact CD2-CG2 3.53Å; L172-C197 HydrophobicContact CD2-CB 4.46Å
173	C	71.6	Confident	66.3	Low	8 Å²	8	54.5 Å²	54.5	5%	0.054	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-44.7	174.7	-62.3	0	0	0	0	111.6	C169 Q170 V171 W175 L176 E177 C199	C169-C173 PolarHBondContact O-N 2.87Å; C169-C173 PolarHBondContact O-SG 2.54Å; Q170-C173 PolarHBondContact O-N 3.25Å; V171-C173 VanDerWaalsContact C-N 3.35Å; V171-C173 PolarHBondContact O-N 3.16Å; C173-W175 VanDerWaalsContact C-N 3.31Å; C173-W175 PolarHBondContact O-N 2.85Å; C173-L176 PolarHBondContact O-N 2.99Å; C173-L176 VanDerWaalsContact O-N 3.16Å; C173-E177 PolarHBondContact O-N 3.23Å; C173-C199 HydrophobicContact CB-CB 3.73Å; C173-C199 WeakPolarHBondContact CB-SG 3.37Å; C173-C199 WeakPolarHBondContact SG-CA 3.43Å; C173-C199 WeakPolarHBondContact SG-CB 3.39Å; C173-C199 CovalentContact SG-SG 2.03Å; C173-C199 PolarHBondContact SG-SG 3.46Å
174	T	71.3	Confident	65.8	Low	60 Å²	60	60.1 Å²	60.1	37%	0.368	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-34.6	176.3	-57.4	0	0	0	0	112.2	Q170 V171 N178	Q170-T174 PolarHBondContact O-N 2.94Å; Q170-T174 PolarHBondContact O-OG1 2.63Å; Q170-T174 VanDerWaalsContact O-OG1 3.1Å; V171-T174 PolarHBondContact O-N 2.67Å; T174-N178 WeakPolarHBondContact O-CB 3.4Å; T174-N178 PolarHBondContact O-N 2.98Å; T174-N178 PolarHBondContact O-ND2 3.44Å
175	W	74.2	Confident	65.1	Low	10 Å²	10	60.8 Å²	60.8	4%	0.038	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-45.4	170.7	-74.8	0.9	0	0	0	112.3	K72 F120 E155 L157 V171 L172 C173 N178 C179	K72-W175 HydrophobicContact CB-CD2 4.01Å; K72-W175 HydrophobicContact CB-CE3 3.84Å; K72-W175 HydrophobicContact CB-CH2 3.88Å; K72-W175 HydrophobicContact CB-CZ2 4.04Å; K72-W175 HydrophobicContact CB-CZ3 3.77Å; K72-W175 HydrophobicContact CD-CB 4.46Å; K72-W175 HydrophobicContact CD-CD2 3.72Å; K72-W175 HydrophobicContact CD-CE3 4.38Å; K72-W175 HydrophobicContact CD-CG 3.74Å; K72-W175 HydrophobicContact CD-CZ2 4.32Å; K72-W175 HydrophobicContact CG-CD2 4.43Å; F120-W175 HydrophobicContact CD1-CE3 4.26Å; F120-W175 HydrophobicContact CE1-CB 3.98Å; F120-W175 HydrophobicContact CE1-CD2 4.41Å; F120-W175 HydrophobicContact CE1-CE3 4.02Å; F120-W175 HydrophobicContact CE1-CG 4.45Å; F120-W175 HydrophobicContact CZ-CB 4.28Å; E155-W175 HydrophobicContact CB-CH2 4.33Å; E155-W175 HydrophobicContact CB-CZ2 3.71Å; E155-W175 PolarHBondContact OE2-NE1 2.83Å; L157-W175 HydrophobicContact CB-CH2 3.63Å; L157-W175 HydrophobicContact CB-CZ2 4.27Å; L157-W175 HydrophobicContact CB-CZ3 4.15Å; V171-W175 HydrophobicContact CG1-CD2 4.4Å; V171-W175 HydrophobicContact CG1-CZ2 4.17Å; V171-W175 PolarHBondContact O-N 3.22Å; L172-W175 HydrophobicContact CD1-CE3 4.21Å; L172-W175 WeakPolarHBondContact O-CB 3.24Å; L172-W175 PolarHBondContact O-N 2.63Å; C173-W175 VanDerWaalsContact C-N 3.31Å; C173-W175 PolarHBondContact O-N 2.85Å; W175-N178 PolarHBondContact O-N 2.93Å; W175-C179 PolarHBondContact O-N 2.97Å; W175-C179 VanDerWaalsContact O-N 3.13Å
176	L	69.4	Low	64.3	Low	47 Å²	47	61.6 Å²	61.6	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-45.6	178	-177.4	61.9	0	0	0	111.8	L172 C173 N178 C179 L180 C190 I192	L172-L176 PolarHBondContact O-N 2.72Å; L172-L176 VanDerWaalsContact O-N 3.14Å; C173-L176 PolarHBondContact O-N 2.99Å; C173-L176 VanDerWaalsContact O-N 3.16Å; L176-N178 PolarHBondContact O-N 3.31Å; L176-C179 WeakPolarHBondContact O-CB 3.46Å; L176-C179 PolarHBondContact O-N 2.89Å; L176-L180 HydrophobicContact CD1-CD1 4.32Å; L176-L180 HydrophobicContact CG-CD1 4.04Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 2.8Å; L176-C190 HydrophobicContact CD1-CB 4.38Å; L176-C190 WeakPolarHBondContact CD1-O 3.32Å; L176-I192 HydrophobicContact CB-CD1 3.99Å; L176-I192 HydrophobicContact CD1-CG1 4.4Å
177	E	68.7	Low	63.7	Low	60 Å²	60	56.8 Å²	56.8	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-57.4	-45.8	175.1	-80.5	-174.1	-140.7	0	0	112.4	C173 C179 L180 K181	C173-E177 PolarHBondContact O-N 3.23Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.84Å; E177-L180 PolarHBondContact O-N 2.91Å; E177-K181 WeakPolarHBondContact O-CB 3.5Å; E177-K181 WeakPolarHBondContact O-CD 3.16Å; E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.8Å; E177-K181 IonicContact OE2-NZ 2.75Å; E177-K181 PolarHBondContact OE2-NZ 3.21Å
178	N	68.7	Low	63.1	Low	65 Å²	65	60.5 Å²	60.5	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-31.5	-178.4	-72	-12.9	0	0	0	112	T174 W175 L176 A182	T174-N178 WeakPolarHBondContact O-CB 3.4Å; T174-N178 PolarHBondContact O-N 2.98Å; T174-N178 PolarHBondContact O-ND2 3.44Å; W175-N178 PolarHBondContact O-N 2.93Å; L176-N178 PolarHBondContact O-N 3.31Å; N178-A182 VanDerWaalsContact O-CB 3.3Å; N178-A182 WeakPolarHBondContact O-CB 3.32Å; N178-A182 PolarHBondContact O-N 3.19Å; N178-A182 VanDerWaalsContact O-N 3.1Å
179	C	66.6	Low	62.3	Low	1 Å²	1	61.5 Å²	61.5	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-54	169.1	-170.1	0	0	0	0	111	Y118 F120 W175 L176 E177 K181 A182 E183 C190	Y118-C179 HydrophobicContact CD2-CB 4.03Å; F120-C179 HydrophobicContact CE2-CB 4.16Å; F120-C179 HydrophobicContact CZ-CB 4.32Å; W175-C179 PolarHBondContact O-N 2.97Å; W175-C179 VanDerWaalsContact O-N 3.13Å; L176-C179 WeakPolarHBondContact O-CB 3.46Å; L176-C179 PolarHBondContact O-N 2.89Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.84Å; C179-K181 VanDerWaalsContact C-N 3.31Å; C179-K181 PolarHBondContact O-N 2.84Å; C179-A182 PolarHBondContact O-N 2.93Å; C179-E183 PolarHBondContact O-N 3.04Å; C179-C190 HydrophobicContact CB-CB 3.77Å; C179-C190 WeakPolarHBondContact CB-SG 3.35Å; C179-C190 PolarHBondContact O-SG 2.99Å; C179-C190 VanDerWaalsContact O-SG 3.39Å; C179-C190 WeakPolarHBondContact SG-CB 3.4Å; C179-C190 CovalentContact SG-SG 2.04Å; C179-C190 PolarHBondContact SG-SG 2.91Å
180	L	64.3	Low	61.6	Low	50 Å²	50	61 Å²	61	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-37.6	-178.2	-70.7	165.5	0	0	0	112.8	L176 E177 G185 C190	L176-L180 HydrophobicContact CD1-CD1 4.32Å; L176-L180 HydrophobicContact CG-CD1 4.04Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 2.8Å; E177-L180 PolarHBondContact O-N 2.91Å; L180-G185 PolarHBondContact O-N 2.9Å; L180-C190 HydrophobicContact CD2-CB 3.69Å; L180-C190 HydrophobicContact CG-CB 3.89Å
181	K	64.4	Low	61	Low	130 Å²	130	57.5 Å²	57.5	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-66.4	-39.4	174.1	-71.2	164.8	-170.6	168.5	0	111.9	E177 C179	E177-K181 WeakPolarHBondContact O-CB 3.5Å; E177-K181 WeakPolarHBondContact O-CD 3.16Å; E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.8Å; E177-K181 IonicContact OE2-NZ 2.75Å; E177-K181 PolarHBondContact OE2-NZ 3.21Å; C179-K181 VanDerWaalsContact C-N 3.31Å; C179-K181 PolarHBondContact O-N 2.84Å
182	A	61.1	Low	60.2	Low	56 Å²	56	58.3 Å²	58.3	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-71.1	-37.7	179.8	0	0	0	0	0	113.1	Y118 N178 C179 K184	Y118-A182 HydrophobicContact CE2-CB 3.97Å; N178-A182 VanDerWaalsContact O-CB 3.3Å; N178-A182 WeakPolarHBondContact O-CB 3.32Å; N178-A182 PolarHBondContact O-N 3.19Å; N178-A182 VanDerWaalsContact O-N 3.1Å; C179-A182 PolarHBondContact O-N 2.93Å; A182-K184 VanDerWaalsContact C-N 3.29Å; A182-K184 PolarHBondContact O-N 3.31Å
183	E	56.3	Low	59.1	Low	24 Å²	24	62.4 Å²	62.4	11%	0.112	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	27	-177.3	-56.1	-163.7	150.2	0	0	112.8	N117 C179 G185 T186 A189	N117-E183 WeakPolarHBondContact CB-OE1 3.48Å; N117-E183 PolarHBondContact N-OE1 2.81Å; N117-E183 PolarHBondContact ND2-OE1 2.88Å; C179-E183 PolarHBondContact O-N 3.04Å; E183-G185 PolarHBondContact O-N 3.22Å; E183-T186 PolarHBondContact O-N 3.38Å; E183-T186 VanDerWaalsContact O-N 3.08Å; E183-T186 PolarHBondContact O-OG1 3.19Å; E183-A189 WeakPolarHBondContact OE2-CB 3.34Å
184	K	55.5	Low	58.1	Low	198 Å²	198	71.5 Å²	71.5	86%	0.861	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.4	175.2	-60.3	-175.1	177.6	-177.8	0	114.4	A182	A182-K184 VanDerWaalsContact C-N 3.29Å; A182-K184 PolarHBondContact O-N 3.31Å
185	G	50.6	Low	57.2	Low	42 Å²	42	70.5 Å²	70.5	43%	0.433	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.2	179.2	0	0	0	0	0	116.1	L180 E183 V187	L180-G185 PolarHBondContact O-N 2.9Å; E183-G185 PolarHBondContact O-N 3.22Å; G185-V187 VanDerWaalsContact O-CG2 3.3Å; G185-V187 WeakPolarHBondContact O-CG2 3.2Å; G185-V187 PolarHBondContact O-N 2.9Å
186	T	48.5	Very low	56.4	Low	84 Å²	84	76.3 Å²	76.3	52%	0.515	41%	0.405	S	S	.	.			trans	-70.5	97.8	170.3	55.5	0	0	0	0	110.5	E183 E188 A189	E183-T186 PolarHBondContact O-N 3.38Å; E183-T186 VanDerWaalsContact O-N 3.08Å; E183-T186 PolarHBondContact O-OG1 3.19Å; T186-E188 PolarHBondContact O-N 2.8Å; T186-E188 VanDerWaalsContact O-N 3.15Å; T186-A189 PolarHBondContact O-N 2.87Å
187	V	48.9	Very low	55.9	Low	71 Å²	71	75 Å²	75	43%	0.43	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23	-167.8	-164.6	0	0	0	0	113.5	G185 A189 L219	G185-V187 VanDerWaalsContact O-CG2 3.3Å; G185-V187 WeakPolarHBondContact O-CG2 3.2Å; G185-V187 PolarHBondContact O-N 2.9Å; V187-A189 PolarHBondContact O-N 2.81Å; V187-L219 HydrophobicContact CG1-CD1 3.39Å; V187-L219 HydrophobicContact CG1-CD2 3.43Å; V187-L219 VanDerWaalsContact CG1-CD2 3.43Å; V187-L219 HydrophobicContact CG1-CG 4.02Å
188	E	47.4	Very low	55.4	Low	198 Å²	198	78.2 Å²	78.2	93%	0.925	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.8	-13	-177.3	-56.9	-175.3	151.1	0	0	115.1	T186	T186-E188 PolarHBondContact O-N 2.8Å; T186-E188 VanDerWaalsContact O-N 3.15Å
189	A	48.6	Very low	54.7	Low	23 Å²	23	78.3 Å²	78.3	19%	0.19	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-112.2	-13.8	-172.1	0	0	0	0	0	114.8	N116 E183 T186 V187	N116-A189 PolarHBondContact ND2-O 2.85Å; E183-A189 WeakPolarHBondContact OE2-CB 3.34Å; T186-A189 PolarHBondContact O-N 2.87Å; V187-A189 PolarHBondContact O-N 2.81Å
190	C	53.7	Low	53.8	Low	1 Å²	1	83.5 Å²	83.5	1%	0.007	46%	0.462	C	S	.	.			trans	-117.7	96.9	-179.3	-70.5	0	0	0	0	111.3	L176 C179 L180	L176-C190 HydrophobicContact CD1-CB 4.38Å; L176-C190 WeakPolarHBondContact CD1-O 3.32Å; C179-C190 HydrophobicContact CB-CB 3.77Å; C179-C190 WeakPolarHBondContact CB-SG 3.35Å; C179-C190 PolarHBondContact O-SG 2.99Å; C179-C190 VanDerWaalsContact O-SG 3.39Å; C179-C190 WeakPolarHBondContact SG-CB 3.4Å; C179-C190 CovalentContact SG-SG 2.04Å; C179-C190 PolarHBondContact SG-SG 2.91Å; L180-C190 HydrophobicContact CD2-CB 3.69Å; L180-C190 HydrophobicContact CG-CB 3.89Å
191	G	52.3	Low	52.8	Low	48 Å²	48	86.3 Å²	86.3	50%	0.495	47%	0.474	S	S	.	.			trans	-139.5	147.1	176.9	0	0	0	0	0	112.4
192	I	52.1	Low	51.2	Low	40 Å²	40	88.5 Å²	88.5	21%	0.205	49%	0.486	C	S	.	.			trans	-121.3	131.2	174.7	-62.9	179	0	0	0	108	Y70 F120 L172 L176 T195	Y70-I192 HydrophobicContact CD1-CG2 4.24Å; Y70-I192 HydrophobicContact CE1-CG2 4.24Å; F120-I192 HydrophobicContact CD1-CD1 4.47Å; F120-I192 HydrophobicContact CD1-CG1 4.45Å; F120-I192 HydrophobicContact CD2-CG1 4.13Å; F120-I192 HydrophobicContact CE1-CD1 4.42Å; F120-I192 HydrophobicContact CE2-CG1 4.42Å; F120-I192 HydrophobicContact CG-CG1 4.14Å; L172-I192 HydrophobicContact CD1-CD1 4.06Å; L172-I192 HydrophobicContact CD1-CG2 4.07Å; L172-I192 HydrophobicContact CD2-CG2 4.16Å; L172-I192 HydrophobicContact CG-CD1 3.94Å; L172-I192 HydrophobicContact CG-CG2 4.27Å; L176-I192 HydrophobicContact CB-CD1 3.99Å; L176-I192 HydrophobicContact CD1-CG1 4.4Å; I192-T195 HydrophobicContact CG2-CG2 4.3Å
193	V	48.1	Very low	49.8	Very low	94 Å²	94	93.7 Å²	93.7	57%	0.57	51%	0.505	S	S	*	.			trans	-65.3	135.8	-175.9	-179.4	0	0	0	0	111.1	L122 T195	L122-V193 HydrophobicContact CD2-CB 3.92Å; L122-V193 HydrophobicContact CD2-CG1 3.76Å; V193-T195 VanDerWaalsContact O-CG2 3.23Å; V193-T195 WeakPolarHBondContact O-CG2 3.38Å; V193-T195 PolarHBondContact O-N 2.79Å
194	Y	48.7	Very low	48.4	Very low	199 Å²	199	95.8 Å²	95.8	78%	0.78	53%	0.533	S	S	*	.			trans	-6.1	105.8	177	-162.1	-88.4	0	0	0	116.8
195	T	52.9	Low	47.4	Very low	39 Å²	39	95 Å²	95	24%	0.239	54%	0.538	C	S	.	.			trans	-125.7	160.5	171.8	81.7	0	0	0	0	110.9	Y70 L172 I192 V193 C197	Y70-T195 HydrophobicContact CE1-CG2 3.65Å; Y70-T195 WeakPolarHBondContact OH-CG2 3.48Å; L172-T195 HydrophobicContact CD2-CG2 3.53Å; I192-T195 HydrophobicContact CG2-CG2 4.3Å; V193-T195 VanDerWaalsContact O-CG2 3.23Å; V193-T195 WeakPolarHBondContact O-CG2 3.38Å; V193-T195 PolarHBondContact O-N 2.79Å; T195-C197 PolarHBondContact O-N 3.4Å; T195-C197 WeakPolarHBondContact OG1-CB 3.47Å; T195-C197 PolarHBondContact OG1-N 3.12Å
196	K	57.3	Low	46.4	Very low	133 Å²	133	96.4 Å²	96.4	58%	0.578	55%	0.553	S	S	*	*	S	Bend	trans	-85.2	17.9	172	-61.3	-169.9	-175.2	-175.7	0	113.4	K161 A162 P164	K161-K196 VanDerWaalsContact O-CE 3.31Å; K161-K196 WeakPolarHBondContact O-CE 3.46Å; A162-K196 WeakPolarHBondContact O-CD 3.39Å; A162-K196 PolarHBondContact O-NZ 3.14Å; P164-K196 HydrophobicContact CG-CB 3.99Å
197	C	60.2	Low	45.8	Very low	19 Å²	19	102.2 Å²	102.2	13%	0.128	57%	0.574	C	S	.	*			trans	-88.7	136	-179.3	-69	0	0	0	0	111.4	C169 L172 T195	C169-C197 WeakPolarHBondContact CA-SG 3.5Å; C169-C197 HydrophobicContact CB-CB 3.47Å; C169-C197 VanDerWaalsContact CB-CB 3.47Å; C169-C197 WeakPolarHBondContact CB-SG 3.39Å; C169-C197 WeakPolarHBondContact SG-CA 3.4Å; C169-C197 WeakPolarHBondContact SG-CB 3.41Å; C169-C197 CovalentContact SG-SG 2.04Å; C169-C197 PolarHBondContact SG-SG 2.64Å; L172-C197 HydrophobicContact CD2-CB 4.46Å; T195-C197 PolarHBondContact O-N 3.4Å; T195-C197 WeakPolarHBondContact OG1-CB 3.47Å; T195-C197 PolarHBondContact OG1-N 3.12Å
198	T	58.4	Low	44.9	Very low	127 Å²	127	103.7 Å²	103.7	78%	0.779	59%	0.588	S	S	*	*			trans	-105.1	127.7	172.8	44.1	0	0	0	0	109.9
199	C	53.9	Low	44.2	Very low	67 Å²	67	104.3 Å²	104.3	45%	0.453	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-102.1	116.2	-177.6	-59.9	0	0	0	0	110.9	C173	C173-C199 HydrophobicContact CB-CB 3.73Å; C173-C199 WeakPolarHBondContact CB-SG 3.37Å; C173-C199 WeakPolarHBondContact SG-CA 3.43Å; C173-C199 WeakPolarHBondContact SG-CB 3.39Å; C173-C199 CovalentContact SG-SG 2.03Å; C173-C199 PolarHBondContact SG-SG 3.46Å
200	P	46.2	Very low	43.3	Very low	111 Å²	111	107.6 Å²	107.6	72%	0.721	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-76.9	137	173.1	31.4	-32.8	0	0	0	110.8
201	Q	42.9	Very low	42	Very low	109 Å²	109	115.4 Å²	115.4	51%	0.509	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-76.3	131.7	176.3	-73.2	172.9	-30.5	0	0	111.7	L212	Q201-L212 PolarHBondContact NE2-O 2.99Å; Q201-L212 VanDerWaalsContact NE2-O 3.14Å
202	H	32.5	Very low	41	Very low	176 Å²	176	119.6 Å²	119.6	82%	0.815	66%	0.661	S	S	*	*			trans	-130.8	99.3	155.9	-98.9	23.1	0	0	0	109.5
203	L	30.8	Very low	39.8	Very low	164 Å²	164	123.8 Å²	123.8	86%	0.859	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-83	134.4	165.7	-82.8	158.3	0	0	0	108.9
204	G	27.7	Very low	39.1	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-80.3	171.1	163.9	0	0	0	0	0	111.4	G206	G204-G206 PolarHBondContact O-N 3.12Å
205	D	34.3	Very low	38	Very low	182 Å²	182	121.1 Å²	121.1	97%	0.973	68%	0.676	S	S	*	*	S	Bend	trans	-48.6	131	-169.3	-58.3	-63.6	0	0	0	115.3
206	G	28.6	Very low	37	Very low	71 Å²	71	126.8 Å²	126.8	73%	0.732	71%	0.706	S	S	*	*			trans	174.9	110.2	173.4	0	0	0	0	0	112.4	G204 S208	G204-G206 PolarHBondContact O-N 3.12Å; G206-S208 PolarHBondContact O-N 3.41Å
207	E	37.1	Very low	35.6	Very low	206 Å²	206	124.1 Å²	124.1	96%	0.963	70%	0.7	S	S	*	*			trans	-70.4	106.4	-179.7	-63.7	179.7	132.1	0	0	111.9
208	S	29.8	Very low	34.3	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	73%	0.731	S	S	*	*			trans	-162	137.8	155.9	57.6	0	0	0	0	112.3	G206 S210	G206-S208 PolarHBondContact O-N 3.41Å; S208-S210 PolarHBondContact O-N 2.92Å; S208-S210 VanDerWaalsContact O-N 3.17Å
209	E	32.3	Very low	32.8	Very low	210 Å²	210	127 Å²	127	98%	0.981	71%	0.713	S	S	*	*			trans	-82.3	89.5	-179.2	-64.6	-176.1	123.8	0	0	111.8
210	S	30.3	Very low	31.4	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	73%	0.727	S	S	*	*			trans	-145.6	95.3	159.9	62.2	0	0	0	0	112.5	S208 L212	S208-S210 PolarHBondContact O-N 2.92Å; S208-S210 VanDerWaalsContact O-N 3.17Å; S210-L212 PolarHBondContact O-N 2.97Å
211	M	26	Very low	30.7	Very low	166 Å²	166	128 Å²	128	82%	0.818	71%	0.714	S	S	*	*			trans	-83.2	78.1	-176.5	-170.1	-179.3	-176.3	0	0	111.8	M213	M211-M213 HydrophobicContact CE-CE 4.42Å; M211-M213 HydrophobicContact CE-CG 4.46Å; M211-M213 HydrophobicContact CE-SD 3.92Å; M211-M213 PolarHBondContact O-N 3.03Å
212	L	31.4	Very low	30.2	Very low	135 Å²	135	127.7 Å²	127.7	71%	0.707	72%	0.716	S	S	*	*			trans	-80.5	105.1	171.2	-81.3	169.8	0	0	0	111.1	Q201 S210 L214	Q201-L212 PolarHBondContact NE2-O 2.99Å; Q201-L212 VanDerWaalsContact NE2-O 3.14Å; S210-L212 PolarHBondContact O-N 2.97Å; L212-L214 PolarHBondContact O-N 3.36Å
213	M	26.2	Very low	30.2	Very low	129 Å²	129	125.4 Å²	125.4	64%	0.635	72%	0.716	S	S	*	*			trans	-75.2	100.6	173.9	-72.7	-81.4	-109.7	0	0	110.6	M211 N215	M211-M213 HydrophobicContact CE-CE 4.42Å; M211-M213 HydrophobicContact CE-CG 4.46Å; M211-M213 HydrophobicContact CE-SD 3.92Å; M211-M213 PolarHBondContact O-N 3.03Å; M213-N215 PolarHBondContact O-N 3.13Å
214	L	33	Very low	30.3	Very low	104 Å²	104	125.9 Å²	125.9	55%	0.545	71%	0.714	S	S	.	*			trans	-74.8	56.3	176.7	-82.6	96.1	0	0	0	113.4	L212 V217	L212-L214 PolarHBondContact O-N 3.36Å; L214-V217 HydrophobicContact CB-CG2 3.77Å; L214-V217 HydrophobicContact CD2-CB 4.32Å; L214-V217 HydrophobicContact CD2-CG1 4.37Å; L214-V217 HydrophobicContact CD2-CG2 3.72Å; L214-V217 HydrophobicContact CG-CG2 3.59Å
215	N	27.2	Very low	30.8	Very low	132 Å²	132	127 Å²	127	71%	0.706	71%	0.707	S	S	*	*	S	Bend	trans	-91.1	128.8	163.1	-89.2	-36.4	0	0	0	109.6	M213	M213-N215 PolarHBondContact O-N 3.13Å
216	N	30.5	Very low	30.7	Very low	159 Å²	159	124.6 Å²	124.6	85%	0.85	69%	0.691	S	S	*	*	S	Bend	trans	53.7	51.8	-178.9	-65.2	-10.9	0	0	0	114.7	V218	N216-V218 VanDerWaalsContact C-N 3.25Å; N216-V218 PolarHBondContact O-N 3.33Å
217	V	29.2	Very low	30.8	Very low	77 Å²	77	124.7 Å²	124.7	47%	0.467	69%	0.692	S	S	.	*			trans	-75	82	170.9	178.3	0	0	0	0	110.5	L214 L219	L214-V217 HydrophobicContact CB-CG2 3.77Å; L214-V217 HydrophobicContact CD2-CB 4.32Å; L214-V217 HydrophobicContact CD2-CG1 4.37Å; L214-V217 HydrophobicContact CD2-CG2 3.72Å; L214-V217 HydrophobicContact CG-CG2 3.59Å; V217-L219 HydrophobicContact CG1-CD1 3.62Å; V217-L219 HydrophobicContact CG1-CD2 4.25Å; V217-L219 HydrophobicContact CG1-CG 3.55Å
218	V	31.2	Very low	30.5	Very low	129 Å²	129	120.2 Å²	120.2	78%	0.782	68%	0.682	S	S	*	*			trans	-82.2	106.8	152.1	179	0	0	0	0	106.2	N216	N216-V218 VanDerWaalsContact C-N 3.25Å; N216-V218 PolarHBondContact O-N 3.33Å
219	L	28	Very low	30.5	Very low	77 Å²	77	123.3 Å²	123.3	40%	0.403	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-85.3	141.8	168.1	-73	154.9	0	0	0	108.6	V187 V217 L221	V187-L219 HydrophobicContact CG1-CD1 3.39Å; V187-L219 HydrophobicContact CG1-CD2 3.43Å; V187-L219 VanDerWaalsContact CG1-CD2 3.43Å; V187-L219 HydrophobicContact CG1-CG 4.02Å; V217-L219 HydrophobicContact CG1-CD1 3.62Å; V217-L219 HydrophobicContact CG1-CD2 4.25Å; V217-L219 HydrophobicContact CG1-CG 3.55Å; L219-L221 PolarHBondContact O-N 3.17Å
220	P	25	Very low	30.3	Very low	112 Å²	112	118.5 Å²	118.5	73%	0.727	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-61.5	134.3	-176.2	25.8	-34	0	0	0	110	N222	P220-N222 PolarHBondContact O-N 3.31Å
221	L	30	Very low	30.3	Very low	87 Å²	87	119.5 Å²	119.5	46%	0.455	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-60.2	137.5	162.5	-79.2	164.7	0	0	0	108	L219 T225 E226	L219-L221 PolarHBondContact O-N 3.17Å; L221-T225 WeakPolarHBondContact CD2-OG1 3.44Å; L221-E226 HydrophobicContact CB-CB 3.97Å; L221-E226 HydrophobicContact CD1-CB 3.91Å; L221-E226 HydrophobicContact CD1-CG 3.84Å
222	N	32.4	Very low	30.2	Very low	102 Å²	102	120.7 Å²	120.7	55%	0.545	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-54	138.6	169.8	-174.5	-60.6	0	0	0	108.3	P220 Q224 T225	P220-N222 PolarHBondContact O-N 3.31Å; N222-Q224 PolarHBondContact O-N 3.47Å; N222-Q224 PolarHBondContact OD1-N 2.91Å; N222-T225 PolarHBondContact O-N 3.49Å; N222-T225 PolarHBondContact O-OG1 3.17Å; N222-T225 VanDerWaalsContact O-OG1 3.09Å
223	P	32.9	Very low	30.1	Very low	128 Å²	128	121.9 Å²	121.9	83%	0.831	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	3.5	-175.1	20.6	-33.2	0	0	0	116.3
224	Q	33.8	Very low	30.1	Very low	175 Å²	175	125 Å²	125	82%	0.818	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-12.5	168.1	-61.1	-164.5	-22.8	0	0	115.3	N222	N222-Q224 PolarHBondContact O-N 3.47Å; N222-Q224 PolarHBondContact OD1-N 2.91Å
225	T	37.3	Very low	30	Very low	90 Å²	90	126.9 Å²	126.9	55%	0.552	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-11.1	-172	45.6	0	0	0	0	116.5	L221 N222	L221-T225 WeakPolarHBondContact CD2-OG1 3.44Å; N222-T225 PolarHBondContact O-N 3.49Å; N222-T225 PolarHBondContact O-OG1 3.17Å; N222-T225 VanDerWaalsContact O-OG1 3.09Å
226	E	32.5	Very low	30.4	Very low	133 Å²	133	124 Å²	124	62%	0.621	72%	0.722	S	S	*	*	S	Bend	trans	-97.6	-16.8	-179.8	-156.8	156.9	-144.6	0	0	114	L221 C228	L221-E226 HydrophobicContact CB-CB 3.97Å; L221-E226 HydrophobicContact CD1-CB 3.91Å; L221-E226 HydrophobicContact CD1-CG 3.84Å; E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.41Å; E226-C228 VanDerWaalsContact O-N 3.09Å
227	G	31	Very low	30.2	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	20.9	-173.6	0	0	0	0	0	117.4
228	C	30.3	Very low	30.1	Very low	112 Å²	112	129.8 Å²	129.8	76%	0.757	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	15.2	-167.6	-81.5	0	0	0	0	116.4	E226 S230	E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.41Å; E226-C228 VanDerWaalsContact O-N 3.09Å; C228-S230 PolarHBondContact O-N 2.81Å
229	L	30.2	Very low	29.9	Very low	168 Å²	168	129.4 Å²	129.4	88%	0.88	74%	0.744	S	S	*	*	S	Bend	trans	-92.8	95.8	167.9	-69.8	178.9	0	0	0	110.9
230	S	27.2	Very low	29.9	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	76%	0.763	S	S	*	*	S	Bend	trans	83.4	153.4	-177.3	83.2	0	0	0	0	116.4	C228	C228-S230 PolarHBondContact O-N 2.81Å
231	P	30.3	Very low	29.9	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	77%	0.769	S	S	*	*	S	Bend	trans	-110.8	92.5	-154.3	38	-27.7	0	0	0	114.6
232	Q	25.4	Very low	29.6	Very low	191 Å²	191	136.5 Å²	136.5	89%	0.893	79%	0.785	S	S	*	*			trans	-162.2	121.7	155.7	-112.5	137	98.1	0	0	111.2
233	L	28.7	Very low	29.3	Very low	160 Å²	160	135.7 Å²	135.7	84%	0.838	79%	0.793	S	S	*	*			trans	-73.9	129.8	168	-76	102.3	0	0	0	110
234	H	26.5	Very low	28.9	Very low	196 Å²	196	138.2 Å²	138.2	91%	0.907	79%	0.794	S	S	*	*			trans	-134.1	148.8	147.3	-99	28	0	0	0	109.2
235	V	29.8	Very low	28.5	Very low	143 Å²	143	136.3 Å²	136.3	87%	0.867	79%	0.793	S	S	*	*			trans	-99.7	127.6	-161.3	176.1	0	0	0	0	111.9
236	G	36.9	Very low	27.8	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	81%	0.811	S	S	*	*			trans	93.9	98.6	150.3	0	0	0	0	0	116.8
237	Q	25.9	Very low	27.4	Very low	191 Å²	191	148.7 Å²	148.7	89%	0.893	82%	0.824	S	S	*	*			trans	-149.8	143.2	143.8	-114.5	169.3	3.3	0	0	109.7
238	I	27.2	Very low	27.6	Very low	166 Å²	166	150.8 Å²	150.8	85%	0.851	83%	0.825	S	S	*	*			trans	-110.5	120.2	178.2	-63.3	169	0	0	0	106.9
239	C	26.4	Very low	27.4	Very low	121 Å²	121	151.1 Å²	151.1	82%	0.818	83%	0.825	S	S	*	*			trans	-102.3	129.8	174	-68.1	0	0	0	0	109.8
240	N	27.9	Very low	27.7	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	82%	0.824	S	S	*	*			trans	-132.2	130.1	177	-178.4	16	0	0	0	107.5
241	L	24.8	Very low	27.6	Very low	164 Å²	164	156.9 Å²	156.9	86%	0.859	83%	0.833	S	S	*	*			trans	-141.9	120.8	-174	-77.9	174.4	0	0	0	111.9
242	S	23.7	Very low	27.3	Very low	114 Å²	114	159.2 Å²	159.2	80%	0.797	83%	0.834	S	S	*	*			trans	-120	150.5	158.7	-82.1	0	0	0	0	108.9
243	A	26.5	Very low	27.2	Very low	86 Å²	86	159.9 Å²	159.9	71%	0.711	83%	0.83	S	S	*	*			trans	77.7	137.8	164.5	0	0	0	0	0	120.4
244	E	23.5	Very low	27	Very low	181 Å²	181	156 Å²	156	85%	0.846	83%	0.828	S	S	*	*			trans	75.6	85.6	137.4	-71	167	-171.2	0	0	122.9
245	V	27	Very low	26.9	Very low	134 Å²	134	154.2 Å²	154.2	81%	0.812	82%	0.822	S	S	*	*				31.8	114	119.7	-172.6	0	0	0	0	119.3
246	R	21.6	Very low	26.7	Very low	246 Å²	246	154.7 Å²	154.7	93%	0.928	82%	0.818	S	S	*	*				-173	162.8	128.1	-105.1	163.6	-169.9	-171.2	4	115
247	R	23.7	Very low	26.1	Very low	237 Å²	237	155 Å²	155	89%	0.894	82%	0.821	S	S	*	*			trans	-130.9	173.8	162	-66.8	-171.6	-168.8	167.8	3.4	107.1
248	P	35.1	Very low	26	Very low	118 Å²	118	153.6 Å²	153.6	77%	0.766	82%	0.815	S	S	*	*			cis	-107.6	-118.1	-4.9	36.5	-17.1	0	0	0	109.8
249	P	26.7	Very low	26	Very low	118 Å²	118	153 Å²	153	77%	0.766	81%	0.808	S	S	*	*			cis	-110.4	-132	0.9	43.4	-29.7	0	0	0	113
250	K	37.5	Very low	25.8	Very low	197 Å²	197	153 Å²	153	86%	0.857	80%	0.804	S	S	*	*			trans	-136.5	156.5	164.6	-74.7	-179.3	173.7	-177.3	0	107.3
251	E	24.3	Very low	25.7	Very low	202 Å²	202	151.1 Å²	151.1	94%	0.944	80%	0.798	S	S	*	*			trans	-157.1	-177.6	149.2	-128	157.7	-140	0	0	111.4
252	E	23.8	Very low	25.6	Very low	160 Å²	160	152 Å²	152	75%	0.748	80%	0.795	S	S	*	*			trans	-136.7	163.6	-144.1	-147.5	-178.2	-162.1	0	0	115.5
253	Y	24.1	Very low	25.7	Very low	206 Å²	206	152 Å²	152	81%	0.808	80%	0.795	S	S	*	*			trans	63	139.7	168.5	-79	-80.7	0	0	0	120.9
254	G	23.9	Very low	25.6	Very low	77 Å²	77	156.7 Å²	156.7	79%	0.794	80%	0.802	S	S	*	*			trans	176.9	129.9	169.8	0	0	0	0	0	111.3
255	M	24.8	Very low	25.7	Very low	159 Å²	159	158.2 Å²	158.2	78%	0.783	80%	0.8	S	S	*	*			trans	-124.4	142.3	-166.7	-88	-104	-79	0	0	113.9
256	I	25.2	Very low	25.8	Very low	153 Å²	153	158 Å²	158	79%	0.785	80%	0.802	S	S	*	*			trans	65.6	133.8	152.7	-62.4	167.9	0	0	0	118.1
257	G	24.5	Very low	25.9	Very low	78 Å²	78	156.9 Å²	156.9	80%	0.804	80%	0.797	S	S	*	*			trans	175.8	100.3	166.4	0	0	0	0	0	111.8
258	E	24.4	Very low	26	Very low	162 Å²	162	151 Å²	151	76%	0.757	79%	0.793	S	S	*	*			trans	-82.6	153.2	178.5	-63.6	-171.4	96	0	0	112.6
259	H	25.7	Very low	25.6	Very low	154 Å²	154	150.6 Å²	150.6	71%	0.713	79%	0.788	S	S	*	*				160.7	111.2	115	-83.7	-56.4	0	0	0	114.3
260	T	24.1	Very low	25.6	Very low	120 Å²	120	152.2 Å²	152.2	74%	0.736	79%	0.785	S	S	*	*				46	143.5	126.9	63.5	0	0	0	0	121.3
261	V	24.7	Very low	25	Very low	107 Å²	107	149.2 Å²	149.2	65%	0.648	78%	0.778	S	S	*	*			cis	-167.1	150.7	23.8	99	0	0	0	0	114.8
262	K	23.6	Very low	25.2	Very low	182 Å²	182	145.2 Å²	145.2	79%	0.791	77%	0.768	S	S	*	*			trans	34.4	130.7	154.8	-60.6	151.3	-170.5	171.9	0	122.9
263	S	24.5	Very low	25.4	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	78%	0.775	S	S	*	*				-139.5	109.1	112.4	59	0	0	0	0	109
264	Q	25.6	Very low	25.4	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	77%	0.771	S	S	*	*				59.4	125.6	100.2	-73.2	-162.2	-7.2	0	0	117.1
265	R	25.4	Very low	25.6	Very low	213 Å²	213	146.5 Å²	146.5	80%	0.804	78%	0.777	S	S	*	*			trans	-106.6	156	173.6	-59.6	172.9	173.5	145.7	-5.8	110.4
266	P	27.8	Very low	25.7	Very low	130 Å²	130	148.8 Å²	148.8	84%	0.844	78%	0.783	S	S	*	*			trans	-84.9	145.6	140.9	-7.9	26.6	0	0	0	111.2
267	R	25	Very low	25.8	Very low	221 Å²	221	150.9 Å²	150.9	83%	0.834	79%	0.789	S	S	*	*			trans	-122.4	150.6	156.6	-91	-173.2	173.8	175.2	-2	107.2
268	S	26.3	Very low	25.8	Very low	113 Å²	113	156.1 Å²	156.1	79%	0.79	79%	0.793	S	S	*	*			trans	147.6	134.4	146.8	-173.6	0	0	0	0	110.1
269	V	26.6	Very low	25.9	Very low	110 Å²	110	152.4 Å²	152.4	67%	0.667	79%	0.79	S	S	*	*			cis	-160.6	139.9	-9	121.4	0	0	0	0	108.8
270	H	26.6	Very low	26	Very low	153 Å²	153	153.4 Å²	153.4	71%	0.708	80%	0.795	S	S	*	*			trans	59.1	164.3	157	-72.8	63.6	0	0	0	117.9
271	D	24.9	Very low	26.1	Very low	134 Å²	134	152.7 Å²	152.7	72%	0.717	80%	0.795	S	S	*	*			cis	-131.8	147.9	16.5	-139	-15.8	0	0	0	114
272	T	28.7	Very low	26.1	Very low	117 Å²	117	152.7 Å²	152.7	72%	0.718	81%	0.806	S	S	*	*			trans	-111.2	132.1	176.4	31.5	0	0	0	0	110.6
273	K	27.1	Very low	26.2	Very low	206 Å²	206	152.9 Å²	152.9	90%	0.896	81%	0.806	S	S	*	*			trans	-153.6	117.7	159.4	-114.8	153.4	-166.1	156.2	0	112
274	A	24.6	Very low	26.3	Very low	89 Å²	89	157.3 Å²	157.3	74%	0.736	81%	0.812	S	S	*	*			trans	-131.9	135.1	169.5	0	0	0	0	0	108.6
275	L	28.2	Very low	26.2	Very low	175 Å²	175	156.4 Å²	156.4	92%	0.916	81%	0.809	S	S	*	*			trans	66.4	147.7	161.4	-56.3	172	0	0	0	118.8
276	K	26.2	Very low	26.3	Very low	207 Å²	207	150.7 Å²	150.7	90%	0.9	81%	0.808	S	S	*	*			trans	-119.4	140.5	160.3	-94.5	-175.6	170.1	-175.5	0	106.6
277	E	26.7	Very low	26.2	Very low	198 Å²	198	152.7 Å²	152.7	93%	0.925	81%	0.806	S	S	*	*			trans	-87.5	171.6	164.8	-64.5	171	126.2	0	0	110.7
278	Q	25.9	Very low	26.4	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.874	81%	0.806	S	S	*	*			trans	-148	141.5	176.5	-177	173.7	-7.8	0	0	110.2
279	A	26.4	Very low	26.5	Very low	84 Å²	84	147.4 Å²	147.4	69%	0.694	81%	0.81	S	S	*	*			trans	70.6	148.7	176.6	0	0	0	0	0	115.9
280	E	28	Very low	26.7	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	82%	0.821	S	S	*	*			cis	-156.6	160.7	-7.3	-138.3	168.1	-162.3	0	0	114.6
281	S	24.5	Very low	27.1	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	83%	0.829	S	S	*	*			trans	40.4	121.9	150.5	65	0	0	0	0	123
282	A	26.2	Very low	27.6	Very low	106 Å²	106	147.6 Å²	147.6	88%	0.876	84%	0.837	S	S	*	*				-160.8	154.5	119.3	0	0	0	0	0	111.2
283	K	25.6	Very low	28.1	Very low	186 Å²	186	146.6 Å²	146.6	81%	0.809	84%	0.84	S	S	*	*			trans	-119.2	149.7	175.1	-67.5	175.6	178.5	173.2	0	110.3
284	F	25.7	Very low	29.4	Very low	210 Å²	210	142 Å²	142	92%	0.921	82%	0.822	S	S	*	*			trans	-157.1	169.3	142.3	-121.3	-82.2	0	0	0	111.7
285	M	24.9	Very low	31.2	Very low	165 Å²	165	146.4 Å²	146.4	81%	0.813	83%	0.828	S	S	*	*			trans	-148.2	165.9	-175.1	-55	-177.4	179.4	0	0	109.7
286	A	26.6	Very low	33.3	Very low	93 Å²	93	141.2 Å²	141.2	77%	0.769	80%	0.796	S	S	*	*			cis	-125.1	-117.3	0.7	0	0	0	0	0	110.5
287	Q	26.2	Very low	35.7	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	77%	0.77	S	S	*	*			cis	-156.4	140.6	-4.9	-152.5	169.2	18.7	0	0	109.8
288	T	28.5	Very low	38.2	Very low	137 Å²	137	133 Å²	133	84%	0.84	77%	0.766	S	S	*	*			trans	33.3	119.7	158.8	51.8	0	0	0	0	121.6
289	G	28.2	Very low	40.8	Very low	86 Å²	86	127.4 Å²	127.4	89%	0.887	74%	0.737	S	S	*	*			trans	175.3	107.2	159.9	0	0	0	0	0	111.5
290	E	30.9	Very low	43.2	Very low	192 Å²	192	126.1 Å²	126.1	90%	0.897	72%	0.723	S	S	*	*			trans	-115.2	124.9	-167.9	-179.4	173.6	-135.6	0	0	113.2
291	S	34.4	Very low	45.6	Very low	123 Å²	123	123 Å²	123	86%	0.86	72%	0.721	S	S	*	*			trans	173.4	153	144.8	37.6	0	0	0	0	111
292	G	36.6	Very low	48.3	Very low	86 Å²	86	120 Å²	120	89%	0.887	70%	0.699	S	S	*	*			trans	94.9	88.4	174.6	0	0	0	0	0	114.8
293	A	38.9	Very low	50.6	Low	96 Å²	96	118.7 Å²	118.7	79%	0.793	68%	0.683	S	S	*	*			trans	-117.4	131.4	171.9	0	0	0	0	0	110.8
294	E	55.2	Low	52.6	Low	109 Å²	109	112.1 Å²	112.1	51%	0.509	66%	0.659	S	S	.	*			trans	-106.2	148.7	173	-62	-173.6	126.6	0	0	110.8	C317 V318	E294-C317 WeakPolarHBondContact OE2-CA 3.42Å; E294-V318 PolarHBondContact OE2-N 3.47Å
295	E	61.9	Low	54.7	Low	183 Å²	183	108 Å²	108	86%	0.855	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-77.9	165.7	-167.3	-85.6	-162	119.3	0	0	115.6	R315	E295-R315 VanDerWaalsContact O-CB 3.29Å; E295-R315 WeakPolarHBondContact O-CB 3.32Å
296	W	71.9	Confident	56.9	Low	66 Å²	66	101.4 Å²	101.4	25%	0.25	62%	0.621	C	S	.	*	P	Polyproline II helix	trans	-92.3	144.8	177.4	-72.9	91.9	0	0	0	112.7	R313 R315 P328 E331	W296-R313 HydrophobicContact CE3-CG 3.88Å; W296-R313 HydrophobicContact CZ3-CG 4.43Å; W296-R315 HydrophobicContact CD2-CB 4Å; W296-R315 HydrophobicContact CD2-CG 3.9Å; W296-R315 VanDerWaalsContact CE2-CD 3.49Å; W296-R315 HydrophobicContact CE3-CB 3.91Å; W296-R315 HydrophobicContact CE3-CG 3.87Å; W296-R315 HydrophobicContact CG-CB 4.34Å; W296-R315 HydrophobicContact CH2-CG 4.07Å; W296-R315 HydrophobicContact CZ2-CG 4.09Å; W296-R315 HydrophobicContact CZ3-CB 4.4Å; W296-R315 HydrophobicContact CZ3-CG 3.95Å; W296-P328 HydrophobicContact CH2-CG 4.47Å; W296-P328 WeakPolarHBondContact CH2-O 3.48Å; W296-P328 WeakPolarHBondContact CZ2-O 3.36Å; W296-E331 HydrophobicContact CE3-CB 4.42Å; W296-E331 HydrophobicContact CH2-CB 3.87Å; W296-E331 HydrophobicContact CZ2-CB 4.48Å; W296-E331 HydrophobicContact CZ3-CB 3.84Å
297	S	76.2	Confident	58.9	Low	50 Å²	50	98.3 Å²	98.3	35%	0.35	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-59	163.1	168.6	79	0	0	0	0	111.9	R313 T314	S297-R313 VanDerWaalsContact O-CD 3.29Å; S297-R313 WeakPolarHBondContact O-CD 3.2Å; S297-R313 WeakPolarHBondContact OG-CB 3.27Å; S297-T314 WeakPolarHBondContact CB-O 3.48Å; S297-T314 PolarHBondContact N-O 2.96Å; S297-T314 PolarHBondContact OG-N 2.95Å; S297-T314 PolarHBondContact OG-O 3.31Å
298	Q	79.2	Confident	61.3	Low	183 Å²	183	96.7 Å²	96.7	86%	0.855	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-60.4	158.2	162.6	-65.2	-170.3	-2.1	0	0	111	R313	Q298-R313 WeakPolarHBondContact O-CB 3.48Å
299	W	80.5	Confident	63.5	Low	69 Å²	69	90.8 Å²	90.8	26%	0.261	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-72.9	143.5	175.6	-69.5	97.2	0	0	0	111.4	H311 R313 E331 R333	W299-H311 AromaticContact CD2-CE1 3.98Å; W299-H311 AromaticContact CD2-NE2 3.87Å; W299-H311 HydrophobicContact CE3-CB 4.46Å; W299-H311 AromaticContact CE3-CD2 3.56Å; W299-H311 AromaticContact CE3-CG 3.86Å; W299-H311 AromaticContact CE3-NE2 3.81Å; W299-H311 AromaticContact CG-CE1 3.83Å; W299-H311 WeakPolarHBondContact CZ3-O 3.18Å; W299-R313 HydrophobicContact CD2-CB 4.06Å; W299-R313 HydrophobicContact CD2-CG 3.86Å; W299-R313 VanDerWaalsContact CE2-CD 3.4Å; W299-R313 HydrophobicContact CE3-CB 4.03Å; W299-R313 HydrophobicContact CE3-CG 3.89Å; W299-R313 HydrophobicContact CG-CB 4.44Å; W299-R313 HydrophobicContact CH2-CG 3.79Å; W299-R313 HydrophobicContact CZ2-CG 3.77Å; W299-R313 HydrophobicContact CZ3-CB 4.39Å; W299-R313 HydrophobicContact CZ3-CG 3.86Å; W299-E331 HydrophobicContact CH2-CB 3.84Å; W299-E331 VanDerWaalsContact CH2-CD 3.47Å; W299-E331 HydrophobicContact CH2-CG 3.71Å; W299-E331 HydrophobicContact CZ2-CG 4.34Å; W299-E331 WeakPolarHBondContact CZ2-OE2 3.5Å; W299-E331 HydrophobicContact CZ3-CB 4.5Å; W299-E331 WeakPolarHBondContact CZ3-O 3.37Å; W299-R333 HydrophobicContact CH2-CB 3.91Å; W299-R333 HydrophobicContact CH2-CG 3.5Å; W299-R333 VanDerWaalsContact CH2-CG 3.5Å; W299-R333 VanDerWaalsContact CZ2-CD 3.43Å; W299-R333 HydrophobicContact CZ2-CG 3.95Å; W299-R333 VanDerWaalsContact CZ2-NE 3.35Å; W299-R333 HydrophobicContact CZ3-CB 3.99Å; W299-R333 HydrophobicContact CZ3-CG 4.1Å
300	S	77.9	Confident	65.8	Low	57 Å²	57	88.8 Å²	88.8	40%	0.399	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-61.7	166.6	169.1	72.9	0	0	0	0	112.1	H311 V312	S300-H311 VanDerWaalsContact O-CB 3.26Å; S300-H311 WeakPolarHBondContact O-CB 3.48Å; S300-H311 WeakPolarHBondContact OG-CA 3.39Å; S300-H311 WeakPolarHBondContact OG-CB 3.43Å; S300-V312 WeakPolarHBondContact CB-O 3.3Å; S300-V312 PolarHBondContact N-O 2.96Å; S300-V312 PolarHBondContact OG-N 3.37Å; S300-V312 PolarHBondContact OG-O 2.84Å
301	S	77.6	Confident	68.2	Low	110 Å²	110	81.8 Å²	81.8	77%	0.769	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-53.5	153.7	156.9	-53.3	0	0	0	0	110.9
302	C	80.4	Confident	70.4	Confident	41 Å²	41	77.4 Å²	77.4	28%	0.277	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-63.6	139.5	173.1	-165.1	0	0	0	0	110.4	V304 C335	C302-V304 PolarHBondContact O-N 2.88Å; C302-V304 VanDerWaalsContact O-N 3.17Å; C302-C335 WeakPolarHBondContact CA-SG 3.34Å; C302-C335 HydrophobicContact CB-CB 3.95Å; C302-C335 WeakPolarHBondContact CB-SG 3.32Å; C302-C335 WeakPolarHBondContact SG-CB 3.39Å; C302-C335 CovalentContact SG-SG 2.04Å; C302-C335 PolarHBondContact SG-SG 2.87Å
303	S	75.2	Confident	72.4	Confident	79 Å²	79	76 Å²	76	55%	0.552	43%	0.432	S	S	*	.	S	Bend	trans	-69.2	-8	-177.7	56	0	0	0	0	114.8	S310	S303-S310 VanDerWaalsContact CB-O 3.22Å; S303-S310 WeakPolarHBondContact CB-O 3.49Å; S303-S310 PolarHBondContact N-O 3.09Å; S303-S310 PolarHBondContact OG-N 2.86Å; S303-S310 PolarHBondContact OG-O 3.09Å; S303-S310 PolarHBondContact OG-OG 2.99Å
304	V	67.7	Low	74.1	Confident	48 Å²	48	74.8 Å²	74.8	29%	0.291	42%	0.415	S	S	.	.			trans	-134.1	147.4	177	-54.4	0	0	0	0	111.8	C302 C306 N337	C302-V304 PolarHBondContact O-N 2.88Å; C302-V304 VanDerWaalsContact O-N 3.17Å; V304-C306 WeakPolarHBondContact CG2-O 3.28Å; V304-N337 PolarHBondContact O-ND2 2.93Å
305	T	70.5	Confident	75.1	Confident	124 Å²	124	72.2 Å²	72.2	76%	0.761	40%	0.401	S	S	*	.	S	Bend	trans	-93.4	-6.1	176.7	49	0	0	0	0	113.8	N337	T305-N337 VanDerWaalsContact C-ND2 3.32Å; T305-N337 PolarHBondContact O-ND2 2.88Å; T305-N337 VanDerWaalsContact O-ND2 3.16Å
306	C	69.6	Low	75	Confident	26 Å²	26	68.9 Å²	68.9	18%	0.176	39%	0.393	C	S	.	.	S	Bend	trans	-145.3	150.3	176	69	0	0	0	0	109.6	V304 A339 C341	V304-C306 WeakPolarHBondContact CG2-O 3.28Å; C306-A339 WeakPolarHBondContact CA-O 3.15Å; C306-A339 HydrophobicContact CB-CB 4.14Å; C306-A339 WeakPolarHBondContact CB-O 3.48Å; C306-C341 HydrophobicContact CB-CB 4.04Å; C306-C341 WeakPolarHBondContact CB-SG 3.4Å; C306-C341 PolarHBondContact O-SG 3Å; C306-C341 WeakPolarHBondContact SG-CA 3.49Å; C306-C341 WeakPolarHBondContact SG-CB 3.27Å; C306-C341 CovalentContact SG-SG 2.05Å; C306-C341 PolarHBondContact SG-SG 2.95Å
307	G	70.3	Confident	74.7	Confident	28 Å²	28	68.3 Å²	68.3	29%	0.289	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.4	-153.1	178.6	0	0	0	0	0	114.9	N337 A339	G307-N337 PolarHBondContact N-O 3.33Å; G307-N337 VanDerWaalsContact N-O 3.16Å; G307-N337 WeakPolarHBondContact O-CB 3.49Å; G307-N337 PolarHBondContact O-N 2.78Å; G307-A339 PolarHBondContact N-O 3.04Å; G307-A339 VanDerWaalsContact N-O 3.16Å
308	Q	76.6	Confident	73.9	Confident	138 Å²	138	71.5 Å²	71.5	65%	0.645	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	125	-173.8	178.1	165.6	77.5	0	0	111.8	V334 N336	Q308-V334 HydrophobicContact CG-CG1 3.51Å; Q308-N336 WeakPolarHBondContact CG-OD1 3.41Å; Q308-N336 PolarHBondContact NE2-OD1 3.29Å
309	G	73.8	Confident	72.7	Confident	13 Å²	13	65 Å²	65	13%	0.134	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-153.3	174.2	0	0	0	0	0	112	V334 C335	G309-V334 CarbonylContact O-C 3.56Å; G309-V334 WeakPolarHBondContact O-CA 3.43Å; G309-V334 WeakPolarHBondContact O-CG1 3.5Å; G309-C335 VanDerWaalsContact C-SG 3.58Å; G309-C335 PolarHBondContact N-O 3.3Å; G309-C335 PolarHBondContact O-N 3.05Å
310	S	75.8	Confident	71.4	Confident	43 Å²	43	67 Å²	67	30%	0.301	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.9	-175.8	56.3	0	0	0	0	113.5	S303 R333 C335	S303-S310 VanDerWaalsContact CB-O 3.22Å; S303-S310 WeakPolarHBondContact CB-O 3.49Å; S303-S310 PolarHBondContact N-O 3.09Å; S303-S310 PolarHBondContact OG-N 2.86Å; S303-S310 PolarHBondContact OG-O 3.09Å; S303-S310 PolarHBondContact OG-OG 2.99Å; S310-R333 CarbonylContact C-O 3.59Å; S310-R333 WeakPolarHBondContact CA-O 3.44Å; S310-R333 WeakPolarHBondContact CB-O 3.49Å; S310-C335 WeakPolarHBondContact CA-SG 3.29Å; S310-C335 PolarHBondContact N-SG 3.43Å; S310-C335 VanDerWaalsContact N-SG 3.39Å
311	H	81.9	Confident	70.3	Confident	45 Å²	45	74.6 Å²	74.6	21%	0.208	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.7	167.5	64.2	173.7	0	0	0	110.9	W299 S300 S332 R333	W299-H311 AromaticContact CD2-CE1 3.98Å; W299-H311 AromaticContact CD2-NE2 3.87Å; W299-H311 HydrophobicContact CE3-CB 4.46Å; W299-H311 AromaticContact CE3-CD2 3.56Å; W299-H311 AromaticContact CE3-CG 3.86Å; W299-H311 AromaticContact CE3-NE2 3.81Å; W299-H311 AromaticContact CG-CE1 3.83Å; W299-H311 WeakPolarHBondContact CZ3-O 3.18Å; S300-H311 VanDerWaalsContact O-CB 3.26Å; S300-H311 WeakPolarHBondContact O-CB 3.48Å; S300-H311 WeakPolarHBondContact OG-CA 3.39Å; S300-H311 WeakPolarHBondContact OG-CB 3.43Å; H311-S332 WeakPolarHBondContact O-CA 3.44Å; H311-R333 PolarHBondContact CD2-O 3.46Å; H311-R333 PolarHBondContact N-O 3.46Å; H311-R333 PolarHBondContact O-N 3.42Å
312	V	80.4	Confident	69.3	Low	32 Å²	32	72.5 Å²	72.5	19%	0.194	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.4	-167.8	-176.3	0	0	0	0	110.4	S300 R330 E331	S300-V312 WeakPolarHBondContact CB-O 3.3Å; S300-V312 PolarHBondContact N-O 2.96Å; S300-V312 PolarHBondContact OG-N 3.37Å; S300-V312 PolarHBondContact OG-O 2.84Å; V312-R330 HydrophobicContact CG1-CG 3.64Å; V312-E331 WeakPolarHBondContact CA-O 3.46Å; V312-E331 WeakPolarHBondContact CG1-O 3.35Å
313	R	78.2	Confident	68.1	Low	55 Å²	55	75.5 Å²	75.5	21%	0.208	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	163.8	167.5	65.4	176.5	-179.1	168.2	-0.5	111.8	W296 S297 Q298 W299 R330 E331	W296-R313 HydrophobicContact CE3-CG 3.88Å; W296-R313 HydrophobicContact CZ3-CG 4.43Å; S297-R313 VanDerWaalsContact O-CD 3.29Å; S297-R313 WeakPolarHBondContact O-CD 3.2Å; S297-R313 WeakPolarHBondContact OG-CB 3.27Å; Q298-R313 WeakPolarHBondContact O-CB 3.48Å; W299-R313 HydrophobicContact CD2-CB 4.06Å; W299-R313 HydrophobicContact CD2-CG 3.86Å; W299-R313 VanDerWaalsContact CE2-CD 3.4Å; W299-R313 HydrophobicContact CE3-CB 4.03Å; W299-R313 HydrophobicContact CE3-CG 3.89Å; W299-R313 HydrophobicContact CG-CB 4.44Å; W299-R313 HydrophobicContact CH2-CG 3.79Å; W299-R313 HydrophobicContact CZ2-CG 3.77Å; W299-R313 HydrophobicContact CZ3-CB 4.39Å; W299-R313 HydrophobicContact CZ3-CG 3.86Å; R313-R330 CarbonylContact O-C 3.57Å; R313-R330 WeakPolarHBondContact O-CA 3.48Å; R313-E331 HydrophobicContact CG-CB 4.01Å; R313-E331 IonicContact CZ-OE2 3.2Å; R313-E331 PolarHBondContact N-O 2.86Å; R313-E331 IonicContact NE-OE2 2.81Å; R313-E331 PolarHBondContact NE-OE2 3.36Å; R313-E331 IonicContact NH2-OE2 2.61Å; R313-E331 PolarHBondContact NH2-OE2 3.22Å; R313-E331 PolarHBondContact O-N 3.01Å
314	T	74.9	Confident	67.3	Low	72 Å²	72	80.6 Å²	80.6	44%	0.442	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.3	-177	41.8	0	0	0	0	111.5	S297 L329 R330	S297-T314 WeakPolarHBondContact CB-O 3.48Å; S297-T314 PolarHBondContact N-O 2.96Å; S297-T314 PolarHBondContact OG-N 2.95Å; S297-T314 PolarHBondContact OG-O 3.31Å; T314-L329 CarbonylContact C-O 3.52Å; T314-L329 WeakPolarHBondContact CA-O 3.16Å; T314-L329 WeakPolarHBondContact CB-O 3.4Å; T314-R330 HydrophobicContact CG2-CB 4.03Å; T314-R330 HydrophobicContact CG2-CG 3.8Å
315	R	76.1	Confident	66.8	Low	54 Å²	54	81 Å²	81	20%	0.204	47%	0.466	C	S	.	.			trans	-131.1	147.5	166.4	62.8	178.1	175.2	151.6	11.7	110.3	E295 W296 S326 P328 L329	E295-R315 VanDerWaalsContact O-CB 3.29Å; E295-R315 WeakPolarHBondContact O-CB 3.32Å; W296-R315 HydrophobicContact CD2-CB 4Å; W296-R315 HydrophobicContact CD2-CG 3.9Å; W296-R315 VanDerWaalsContact CE2-CD 3.49Å; W296-R315 HydrophobicContact CE3-CB 3.91Å; W296-R315 HydrophobicContact CE3-CG 3.87Å; W296-R315 HydrophobicContact CG-CB 4.34Å; W296-R315 HydrophobicContact CH2-CG 4.07Å; W296-R315 HydrophobicContact CZ2-CG 4.09Å; W296-R315 HydrophobicContact CZ3-CB 4.4Å; W296-R315 HydrophobicContact CZ3-CG 3.95Å; R315-S326 PolarHBondContact NH2-O 3.46Å; R315-P328 PolarHBondContact NE-O 3.39Å; R315-P328 PolarHBondContact NH2-O 3.38Å; R315-L329 HydrophobicContact CG-CD2 4.2Å; R315-L329 PolarHBondContact N-O 3Å
316	T	61.5	Low	66.3	Low	113 Å²	113	80.4 Å²	80.4	69%	0.693	47%	0.467	S	S	*	.			trans	-95.1	163.3	166.5	44.6	0	0	0	0	109.6
317	C	64.3	Low	66.2	Low	55 Å²	55	81.5 Å²	81.5	37%	0.372	48%	0.483	S	S	.	.			trans	-150.6	129	175.5	164	0	0	0	0	107.8	E294 C325 L329	E294-C317 WeakPolarHBondContact OE2-CA 3.42Å; C317-C325 HydrophobicContact CB-CB 3.74Å; C317-C325 WeakPolarHBondContact CB-SG 3.42Å; C317-C325 WeakPolarHBondContact SG-CB 3.35Å; C317-C325 CovalentContact SG-SG 2.03Å; C317-C325 PolarHBondContact SG-SG 3.27Å; C317-L329 HydrophobicContact CB-CD2 4.35Å
318	V	59.6	Low	65.8	Low	116 Å²	116	84.2 Å²	84.2	70%	0.703	50%	0.495	S	S	*	.			trans	-128.4	102.9	-173.8	-174.1	0	0	0	0	110.5	E294	E294-V318 PolarHBondContact OE2-N 3.47Å
319	S	53.6	Low	65.5	Low	47 Å²	47	81.9 Å²	81.9	33%	0.329	49%	0.487	S	S	.	.			trans	-100.6	120.4	176.7	179.8	0	0	0	0	111.3	Y321 T323	S319-Y321 PolarHBondContact O-N 3.04Å; S319-T323 PolarHBondContact OG-OG1 3.07Å
320	P	52.9	Low	65.5	Low	112 Å²	112	89.7 Å²	89.7	73%	0.727	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15	178	-21.2	33.7	0	0	0	115
321	Y	56.4	Low	65.7	Low	216 Å²	216	89.7 Å²	89.7	85%	0.847	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	27.8	-170.3	-65.6	-70.5	0	0	0	114.1	S319 T323	S319-Y321 PolarHBondContact O-N 3.04Å; Y321-T323 PolarHBondContact O-N 2.96Å
322	G	55.4	Low	65.6	Low	66 Å²	66	91.3 Å²	91.3	68%	0.68	52%	0.524	S	S	*	.			trans	77.2	9.3	162.7	0	0	0	0	0	117
323	T	54.9	Low	65.6	Low	103 Å²	103	96 Å²	96	63%	0.632	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-73.6	131	171.3	46.2	0	0	0	0	111.3	S319 Y321	S319-T323 PolarHBondContact OG-OG1 3.07Å; Y321-T323 PolarHBondContact O-N 2.96Å
324	H	58.4	Low	65.4	Low	186 Å²	186	98 Å²	98	86%	0.861	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-71.7	129.7	-179.2	-83.2	-85.8	0	0	0	112.4	S326	H324-S326 PolarHBondContact O-N 3Å
325	C	58.7	Low	65.6	Low	56 Å²	56	95.6 Å²	95.6	38%	0.378	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-62.2	124.7	176.7	-57.5	0	0	0	0	112	C317	C317-C325 HydrophobicContact CB-CB 3.74Å; C317-C325 WeakPolarHBondContact CB-SG 3.42Å; C317-C325 WeakPolarHBondContact SG-CB 3.35Å; C317-C325 CovalentContact SG-SG 2.03Å; C317-C325 PolarHBondContact SG-SG 3.27Å
326	S	59.5	Low	65.4	Low	112 Å²	112	98.6 Å²	98.6	78%	0.783	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-90.9	134.2	-177.6	-75.8	0	0	0	0	113.7	R315 H324	R315-S326 PolarHBondContact NH2-O 3.46Å; H324-S326 PolarHBondContact O-N 3Å
327	G	66.4	Low	65.6	Low	49 Å²	49	96.3 Å²	96.3	51%	0.505	55%	0.546	S	S	.	.	S	Bend	trans	87.1	165.7	-179.2	0	0	0	0	0	113.9
328	P	63.3	Low	65.5	Low	86 Å²	86	100.5 Å²	100.5	56%	0.558	57%	0.57	S	S	*	*			trans	-62.8	150.8	-174.6	25.8	-34.5	0	0	0	112.9	W296 R315	W296-P328 HydrophobicContact CH2-CG 4.47Å; W296-P328 WeakPolarHBondContact CH2-O 3.48Å; W296-P328 WeakPolarHBondContact CZ2-O 3.36Å; R315-P328 PolarHBondContact NE-O 3.39Å; R315-P328 PolarHBondContact NH2-O 3.38Å
329	L	69.6	Low	65.8	Low	88 Å²	88	97 Å²	97	46%	0.461	55%	0.553	S	S	.	*	S	Bend	trans	-96.6	-4.3	172.3	-60	179.1	0	0	0	112.7	T314 R315 C317	T314-L329 CarbonylContact C-O 3.52Å; T314-L329 WeakPolarHBondContact CA-O 3.16Å; T314-L329 WeakPolarHBondContact CB-O 3.4Å; R315-L329 HydrophobicContact CG-CD2 4.2Å; R315-L329 PolarHBondContact N-O 3Å; C317-L329 HydrophobicContact CB-CD2 4.35Å
330	R	74.4	Confident	66.3	Low	177 Å²	177	99 Å²	99	67%	0.668	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-141.8	124.1	-178.6	-168.8	171.7	-171.2	-131.9	-2.8	109.7	V312 R313 T314	V312-R330 HydrophobicContact CG1-CG 3.64Å; R313-R330 CarbonylContact O-C 3.57Å; R313-R330 WeakPolarHBondContact O-CA 3.48Å; T314-R330 HydrophobicContact CG2-CB 4.03Å; T314-R330 HydrophobicContact CG2-CG 3.8Å
331	E	79.5	Confident	67.1	Low	44 Å²	44	96.2 Å²	96.2	21%	0.206	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.3	177.6	-161	-164.5	159.3	0	0	108.7	W296 W299 V312 R313 R333	W296-E331 HydrophobicContact CE3-CB 4.42Å; W296-E331 HydrophobicContact CH2-CB 3.87Å; W296-E331 HydrophobicContact CZ2-CB 4.48Å; W296-E331 HydrophobicContact CZ3-CB 3.84Å; W299-E331 HydrophobicContact CH2-CB 3.84Å; W299-E331 VanDerWaalsContact CH2-CD 3.47Å; W299-E331 HydrophobicContact CH2-CG 3.71Å; W299-E331 HydrophobicContact CZ2-CG 4.34Å; W299-E331 WeakPolarHBondContact CZ2-OE2 3.5Å; W299-E331 HydrophobicContact CZ3-CB 4.5Å; W299-E331 WeakPolarHBondContact CZ3-O 3.37Å; V312-E331 WeakPolarHBondContact CA-O 3.46Å; V312-E331 WeakPolarHBondContact CG1-O 3.35Å; R313-E331 HydrophobicContact CG-CB 4.01Å; R313-E331 IonicContact CZ-OE2 3.2Å; R313-E331 PolarHBondContact N-O 2.86Å; R313-E331 IonicContact NE-OE2 2.81Å; R313-E331 PolarHBondContact NE-OE2 3.36Å; R313-E331 IonicContact NH2-OE2 2.61Å; R313-E331 PolarHBondContact NH2-OE2 3.22Å; R313-E331 PolarHBondContact O-N 3.01Å; E331-R333 IonicContact OE1-CZ 3.19Å; E331-R333 IonicContact OE1-NE 2.77Å; E331-R333 PolarHBondContact OE1-NE 3.05Å; E331-R333 IonicContact OE1-NH2 2.73Å; E331-R333 PolarHBondContact OE1-NH2 2.77Å
332	S	78.7	Confident	67.8	Low	78 Å²	78	88.8 Å²	88.8	55%	0.545	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.1	178.1	-174.1	0	0	0	0	109.5	H311	H311-S332 WeakPolarHBondContact O-CA 3.44Å
333	R	80.5	Confident	68.9	Low	130 Å²	130	89.3 Å²	89.3	49%	0.491	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.7	176.6	-77.7	179.6	-166.8	-154.6	2.6	110.9	W299 S310 H311 E331	W299-R333 HydrophobicContact CH2-CB 3.91Å; W299-R333 HydrophobicContact CH2-CG 3.5Å; W299-R333 VanDerWaalsContact CH2-CG 3.5Å; W299-R333 VanDerWaalsContact CZ2-CD 3.43Å; W299-R333 HydrophobicContact CZ2-CG 3.95Å; W299-R333 VanDerWaalsContact CZ2-NE 3.35Å; W299-R333 HydrophobicContact CZ3-CB 3.99Å; W299-R333 HydrophobicContact CZ3-CG 4.1Å; S310-R333 CarbonylContact C-O 3.59Å; S310-R333 WeakPolarHBondContact CA-O 3.44Å; S310-R333 WeakPolarHBondContact CB-O 3.49Å; H311-R333 PolarHBondContact CD2-O 3.46Å; H311-R333 PolarHBondContact N-O 3.46Å; H311-R333 PolarHBondContact O-N 3.42Å; E331-R333 IonicContact OE1-CZ 3.19Å; E331-R333 IonicContact OE1-NE 2.77Å; E331-R333 PolarHBondContact OE1-NE 3.05Å; E331-R333 IonicContact OE1-NH2 2.73Å; E331-R333 PolarHBondContact OE1-NH2 2.77Å
334	V	75.7	Confident	70	Confident	98 Å²	98	89 Å²	89	59%	0.594	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.6	179.3	-178.1	0	0	0	0	109.5	Q308 G309	Q308-V334 HydrophobicContact CG-CG1 3.51Å; G309-V334 CarbonylContact O-C 3.56Å; G309-V334 WeakPolarHBondContact O-CA 3.43Å; G309-V334 WeakPolarHBondContact O-CG1 3.5Å
335	C	78.5	Confident	71.2	Confident	21 Å²	21	80.8 Å²	80.8	14%	0.142	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.1	176.4	43.8	0	0	0	0	109.5	C302 G309 S310	C302-C335 WeakPolarHBondContact CA-SG 3.34Å; C302-C335 HydrophobicContact CB-CB 3.95Å; C302-C335 WeakPolarHBondContact CB-SG 3.32Å; C302-C335 WeakPolarHBondContact SG-CB 3.39Å; C302-C335 CovalentContact SG-SG 2.04Å; C302-C335 PolarHBondContact SG-SG 2.87Å; G309-C335 VanDerWaalsContact C-SG 3.58Å; G309-C335 PolarHBondContact N-O 3.3Å; G309-C335 PolarHBondContact O-N 3.05Å; S310-C335 WeakPolarHBondContact CA-SG 3.29Å; S310-C335 PolarHBondContact N-SG 3.43Å; S310-C335 VanDerWaalsContact N-SG 3.39Å
336	N	71.3	Confident	72.4	Confident	118 Å²	118	82.7 Å²	82.7	63%	0.631	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	120	179	-69.2	5.1	0	0	0	109.2	Q308	Q308-N336 WeakPolarHBondContact CG-OD1 3.41Å; Q308-N336 PolarHBondContact NE2-OD1 3.29Å
337	N	66.1	Low	73.7	Confident	64 Å²	64	80 Å²	80	34%	0.342	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.7	178.6	-155.9	-23	0	0	0	109.1	V304 T305 G307 A339	V304-N337 PolarHBondContact O-ND2 2.93Å; T305-N337 VanDerWaalsContact C-ND2 3.32Å; T305-N337 PolarHBondContact O-ND2 2.88Å; T305-N337 VanDerWaalsContact O-ND2 3.16Å; G307-N337 PolarHBondContact N-O 3.33Å; G307-N337 VanDerWaalsContact N-O 3.16Å; G307-N337 WeakPolarHBondContact O-CB 3.49Å; G307-N337 PolarHBondContact O-N 2.78Å; N337-A339 VanDerWaalsContact C-N 3.3Å; N337-A339 PolarHBondContact O-N 2.9Å
338	T	62.6	Low	74.7	Confident	143 Å²	143	82.4 Å²	82.4	88%	0.877	45%	0.453	S	S	*	.			trans	-80.2	-6.1	-166.9	48.8	0	0	0	0	114.6
339	A	64.6	Low	75.8	Confident	43 Å²	43	87 Å²	87	36%	0.355	47%	0.467	S	S	.	.	S	Bend	trans	-68.9	129.3	173.1	0	0	0	0	0	111	C306 G307 N337	C306-A339 WeakPolarHBondContact CA-O 3.15Å; C306-A339 HydrophobicContact CB-CB 4.14Å; C306-A339 WeakPolarHBondContact CB-O 3.48Å; G307-A339 PolarHBondContact N-O 3.04Å; G307-A339 VanDerWaalsContact N-O 3.16Å; N337-A339 VanDerWaalsContact C-N 3.3Å; N337-A339 PolarHBondContact O-N 2.9Å
340	P	65.7	Low	76.8	Confident	89 Å²	89	86 Å²	86	58%	0.578	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-68	136.7	171	29.2	-33.6	0	0	0	109.9
341	C	69.2	Low	77.4	Confident	53 Å²	53	79.5 Å²	79.5	36%	0.358	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-76.7	150.3	179.8	-69.8	0	0	0	0	112.4	C306 V343	C306-C341 HydrophobicContact CB-CB 4.04Å; C306-C341 WeakPolarHBondContact CB-SG 3.4Å; C306-C341 PolarHBondContact O-SG 3Å; C306-C341 WeakPolarHBondContact SG-CA 3.49Å; C306-C341 WeakPolarHBondContact SG-CB 3.27Å; C306-C341 CovalentContact SG-SG 2.05Å; C306-C341 PolarHBondContact SG-SG 2.95Å; C341-V343 PolarHBondContact O-N 3.06Å
342	P	71.3	Confident	77.6	Confident	61 Å²	61	83 Å²	83	40%	0.396	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-62.2	124.8	173.6	25.5	-33.9	0	0	0	111.2	H376	P342-H376 WeakPolarHBondContact CA-O 3.17Å
343	V	77.6	Confident	78	Confident	77 Å²	77	82.6 Å²	82.6	47%	0.467	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-97.9	110.6	174.9	-179.1	0	0	0	0	107.7	C341 P374 Q375	C341-V343 PolarHBondContact O-N 3.06Å; V343-P374 CarbonylContact O-C 3.6Å; V343-P374 VanDerWaalsContact O-CA 3.26Å; V343-P374 WeakPolarHBondContact O-CA 3.32Å; V343-P374 WeakPolarHBondContact O-CB 3.46Å; V343-Q375 HydrophobicContact CB-CB 4.18Å; V343-Q375 PolarHBondContact N-O 3.2Å; V343-Q375 PolarHBondContact O-N 2.96Å
344	H	78.5	Confident	78.2	Confident	95 Å²	95	78.8 Å²	78.8	44%	0.44	45%	0.445	S	S	.	.			trans	-65.6	147.5	177.2	-66.4	-89.5	0	0	0	111.3	R379	H344-R379 PolarHBondContact ND1-N 3.45Å
345	G	82.9	Confident	78.4	Confident	14 Å²	14	81.9 Å²	81.9	14%	0.144	46%	0.458	C	S	.	.			trans	-65.1	138.1	172.9	0	0	0	0	0	110.4	A372 R379	G345-A372 WeakPolarHBondContact CA-O 3.46Å; G345-R379 PolarHBondContact N-O 2.86Å
346	V	84.4	Confident	78.5	Confident	96 Å²	96	82.5 Å²	82.5	58%	0.582	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.3	-177.2	-177.7	0	0	0	0	109.2	A372 C381	V346-A372 PolarHBondContact N-O 2.85Å; V346-A372 WeakPolarHBondContact O-CB 3.48Å; V346-A372 PolarHBondContact O-N 3.07Å; V346-C381 VanDerWaalsContact C-SG 3.58Å; V346-C381 PolarHBondContact N-SG 2.69Å; V346-C381 VanDerWaalsContact N-SG 3.42Å
347	W	87.3	Confident	78.9	Confident	57 Å²	57	80 Å²	80	22%	0.216	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128	171.9	-75.4	116.1	0	0	0	110.8	R369 C371 C381 D382 G383 E385	W347-R369 HydrophobicContact CD2-CG 4.37Å; W347-R369 HydrophobicContact CE3-CB 4.46Å; W347-R369 VanDerWaalsContact CE3-CD 3.41Å; W347-R369 HydrophobicContact CE3-CG 3.6Å; W347-R369 VanDerWaalsContact CG-CZ 3.5Å; W347-R369 HydrophobicContact CZ3-CG 3.87Å; W347-C371 HydrophobicContact CE3-CB 4Å; W347-C371 HydrophobicContact CH2-CB 4.12Å; W347-C371 HydrophobicContact CZ3-CB 3.71Å; W347-C381 HydrophobicContact CD2-CB 3.65Å; W347-C381 HydrophobicContact CE3-CB 4.25Å; W347-C381 HydrophobicContact CG-CB 4.05Å; W347-C381 HydrophobicContact CH2-CB 4.13Å; W347-C381 HydrophobicContact CZ2-CB 3.51Å; W347-C381 WeakPolarHBondContact CZ2-O 3.43Å; W347-C381 HydrophobicContact CZ3-CB 4.46Å; W347-D382 PolarHBondContact NE1-O 2.87Å; W347-G383 VanDerWaalsContact CZ2-O 3.26Å; W347-G383 WeakPolarHBondContact CZ2-O 3.27Å; W347-E385 HydrophobicContact CH2-CB 4.48Å; W347-E385 HydrophobicContact CH2-CG 3.68Å; W347-E385 HydrophobicContact CZ3-CB 4.46Å; W347-E385 HydrophobicContact CZ3-CG 3.85Å
348	E	86.3	Confident	79.1	Confident	98 Å²	98	83.1 Å²	83.1	46%	0.458	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-67.4	170.3	165.8	-64.3	-175	174	0	0	111.4	M370	E348-M370 WeakPolarHBondContact CB-O 3.48Å; E348-M370 PolarHBondContact N-O 3.15Å; E348-M370 WeakPolarHBondContact OE2-CE 3.34Å
349	E	86.6	Confident	79.2	Confident	183 Å²	183	82.8 Å²	82.8	86%	0.855	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-61.5	152.2	174.4	-64.6	-158.9	151.5	0	0	112
350	W	90.6	Very high	79.3	Confident	67 Å²	67	82.4 Å²	82.4	25%	0.254	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-75.1	138.2	175.4	-72.2	97.2	0	0	0	111.2	R367 T368 R369 E385 Q387	W350-R367 VanDerWaalsContact CB-NH1 3.29Å; W350-R367 HydrophobicContact CD2-CG 4.3Å; W350-R367 HydrophobicContact CE3-CB 4.44Å; W350-R367 HydrophobicContact CE3-CG 3.7Å; W350-R367 VanDerWaalsContact CG-CZ 3.46Å; W350-R367 HydrophobicContact CZ3-CG 4.28Å; W350-R367 WeakPolarHBondContact CZ3-O 3.25Å; W350-T368 CarbonylContact C-O 3.6Å; W350-T368 WeakPolarHBondContact CA-O 3.42Å; W350-R369 HydrophobicContact CD2-CB 4.08Å; W350-R369 HydrophobicContact CD2-CG 4.04Å; W350-R369 HydrophobicContact CE3-CB 3.88Å; W350-R369 HydrophobicContact CE3-CG 3.78Å; W350-R369 HydrophobicContact CH2-CG 3.8Å; W350-R369 VanDerWaalsContact CH2-NE 3.31Å; W350-R369 VanDerWaalsContact CZ2-CD 3.46Å; W350-R369 HydrophobicContact CZ2-CG 4.09Å; W350-R369 HydrophobicContact CZ3-CB 4.24Å; W350-R369 HydrophobicContact CZ3-CG 3.65Å; W350-E385 WeakPolarHBondContact CZ3-O 3.48Å; W350-Q387 HydrophobicContact CE3-CB 4.31Å; W350-Q387 HydrophobicContact CH2-CB 3.42Å; W350-Q387 VanDerWaalsContact CH2-CB 3.42Å; W350-Q387 HydrophobicContact CZ2-CB 4.07Å; W350-Q387 HydrophobicContact CZ3-CB 3.55Å
351	S	87.1	Confident	79.3	Confident	40 Å²	40	79.3 Å²	79.3	28%	0.28	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-53.5	159.5	167.4	81.9	0	0	0	0	111.8	R367 T368	S351-R367 WeakPolarHBondContact O-CB 3.5Å; S351-R367 WeakPolarHBondContact OG-CA 3.34Å; S351-R367 WeakPolarHBondContact OG-CB 3.42Å; S351-T368 WeakPolarHBondContact CB-O 3.49Å; S351-T368 PolarHBondContact N-O 2.85Å; S351-T368 PolarHBondContact OG-N 3.01Å
352	P	84.9	Confident	79.7	Confident	117 Å²	117	86.8 Å²	86.8	76%	0.76	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-50.1	150.8	159.4	-25.1	35.1	0	0	0	111.2
353	W	87.3	Confident	80.1	Confident	70 Å²	70	83.9 Å²	83.9	27%	0.265	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-68.9	138.2	170.5	-70.3	98.4	0	0	0	110.4	R365 T366 R367 Q387 K389	W353-R365 HydrophobicContact CD2-CG 4.31Å; W353-R365 HydrophobicContact CE3-CB 4.29Å; W353-R365 HydrophobicContact CE3-CG 3.75Å; W353-R365 HydrophobicContact CZ3-CG 4.31Å; W353-R365 WeakPolarHBondContact CZ3-O 3.49Å; W353-T366 WeakPolarHBondContact CA-O 3.31Å; W353-R367 HydrophobicContact CD2-CB 4.23Å; W353-R367 HydrophobicContact CD2-CG 3.99Å; W353-R367 VanDerWaalsContact CE2-CD 3.44Å; W353-R367 HydrophobicContact CE3-CB 4.03Å; W353-R367 HydrophobicContact CE3-CG 3.81Å; W353-R367 HydrophobicContact CH2-CG 3.85Å; W353-R367 HydrophobicContact CZ2-CG 4.03Å; W353-R367 HydrophobicContact CZ3-CB 4.39Å; W353-R367 HydrophobicContact CZ3-CG 3.74Å; W353-Q387 HydrophobicContact CH2-CG 4.04Å; W353-Q387 WeakPolarHBondContact CZ3-O 3.46Å; W353-K389 HydrophobicContact CH2-CB 3.65Å; W353-K389 HydrophobicContact CH2-CD 3.87Å; W353-K389 HydrophobicContact CH2-CG 3.64Å; W353-K389 HydrophobicContact CZ2-CB 4.34Å; W353-K389 HydrophobicContact CZ2-CD 3.88Å; W353-K389 HydrophobicContact CZ2-CG 4.18Å; W353-K389 HydrophobicContact CZ3-CB 3.86Å; W353-K389 HydrophobicContact CZ3-CG 4.35Å
354	S	83.3	Confident	80.4	Confident	50 Å²	50	84.8 Å²	84.8	35%	0.35	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-62.8	162.1	166.4	56.3	0	0	0	0	112	R365 T366	S354-R365 WeakPolarHBondContact O-CB 3.42Å; S354-T366 PolarHBondContact N-O 3.2Å; S354-T366 PolarHBondContact OG-N 2.9Å; S354-T366 PolarHBondContact OG-O 3Å; S354-T366 VanDerWaalsContact OG-O 3.09Å; S354-T366 PolarHBondContact OG-OG1 2.94Å
355	L	79.7	Confident	80.8	Confident	164 Å²	164	84.7 Å²	84.7	86%	0.859	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-59.5	153.2	169	-63.2	176.6	0	0	0	110.2
356	C	81.6	Confident	81	Confident	34 Å²	34	86.8 Å²	86.8	23%	0.23	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-68.3	137.1	-180	-161.7	0	0	0	0	111	F358 C391	C356-F358 PolarHBondContact O-N 3.11Å; C356-F358 VanDerWaalsContact O-N 3.08Å; C356-C391 WeakPolarHBondContact CA-SG 3.34Å; C356-C391 HydrophobicContact CB-CB 3.9Å; C356-C391 WeakPolarHBondContact CB-SG 3.45Å; C356-C391 WeakPolarHBondContact SG-CB 3.33Å; C356-C391 PolarHBondContact SG-O 3.49Å; C356-C391 CovalentContact SG-SG 2.03Å; C356-C391 PolarHBondContact SG-SG 2.85Å
357	S	78.8	Confident	81.4	Confident	65 Å²	65	85 Å²	85	46%	0.455	43%	0.43	S	S	.	.	S	Bend	trans	-59	-22.6	-177.5	68.7	0	0	0	0	114.7	G363 H364	S357-G363 WeakPolarHBondContact OG-CA 3.31Å; S357-H364 WeakPolarHBondContact CB-O 3.35Å; S357-H364 PolarHBondContact N-O 2.9Å; S357-H364 PolarHBondContact OG-N 3.25Å
358	F	70.5	Confident	81.5	Confident	129 Å²	129	85.8 Å²	85.8	57%	0.566	44%	0.441	S	S	*	.			trans	-136.1	145.8	175.9	-58.1	-61.5	0	0	0	110.7	C356 C360 N392	C356-F358 PolarHBondContact O-N 3.11Å; C356-F358 VanDerWaalsContact O-N 3.08Å; F358-C360 WeakPolarHBondContact CB-O 3.38Å; F358-N392 PolarHBondContact O-ND2 3.47Å
359	T	64.1	Low	81.7	Confident	137 Å²	137	83 Å²	83	84%	0.84	43%	0.427	S	S	*	.	S	Bend	trans	-78.8	-23.6	-179.7	47	0	0	0	0	113.6
360	C	68.5	Low	81.6	Confident	34 Å²	34	80.1 Å²	80.1	23%	0.23	42%	0.415	C	S	.	.	S	Bend	trans	-136.1	169.1	170	71.4	0	0	0	0	110.1	F358 C396	F358-C360 WeakPolarHBondContact CB-O 3.38Å; C360-C396 HydrophobicContact CB-CB 3.94Å; C360-C396 WeakPolarHBondContact CB-SG 3.4Å; C360-C396 WeakPolarHBondContact SG-CA 3.47Å; C360-C396 WeakPolarHBondContact SG-CB 3.26Å; C360-C396 CovalentContact SG-SG 2.04Å; C360-C396 PolarHBondContact SG-SG 3.29Å
361	G	64.6	Low	81.4	Confident	24 Å²	24	78.9 Å²	78.9	25%	0.247	42%	0.415	C	S	.	.	S	Bend	trans	69.4	-167.1	-176.5	0	0	0	0	0	112.9	G363 N392 A394 C396	G361-G363 PolarHBondContact O-N 2.9Å; G361-N392 CarbonylContact O-C 3.13Å; G361-N392 VanDerWaalsContact O-C 3.3Å; G361-N392 WeakPolarHBondContact O-CB 3.43Å; G361-A394 PolarHBondContact N-O 3.03Å; G361-C396 PolarHBondContact N-SG 3.13Å
362	R	77.1	Confident	81.4	Confident	210 Å²	210	78.8 Å²	78.8	79%	0.792	42%	0.417	S	S	*	.	S	Bend	trans	-80	106.8	178.2	-65.9	-177.6	-175.5	174.2	2.5	110.2
363	G	80.5	Confident	81	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	175	168.1	0	0	0	0	0	112.9	S357 G361 L390 C391	S357-G363 WeakPolarHBondContact OG-CA 3.31Å; G361-G363 PolarHBondContact O-N 2.9Å; G363-L390 WeakPolarHBondContact O-CA 3.46Å; G363-C391 CarbonylContact C-O 3.48Å; G363-C391 VanDerWaalsContact C-SG 3.51Å; G363-C391 WeakPolarHBondContact CA-O 3.49Å; G363-C391 PolarHBondContact N-O 3.2Å; G363-C391 PolarHBondContact O-N 2.97Å; G363-C391 VanDerWaalsContact O-O 3.07Å
364	H	84.1	Confident	80.8	Confident	96 Å²	96	76.8 Å²	76.8	44%	0.444	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.4	172.3	-68	-102	0	0	0	110	S357 T388 K389 L390	S357-H364 WeakPolarHBondContact CB-O 3.35Å; S357-H364 PolarHBondContact N-O 2.9Å; S357-H364 PolarHBondContact OG-N 3.25Å; H364-T388 HydrophobicContact CB-CG2 3.91Å; H364-K389 WeakPolarHBondContact CA-O 3.11Å; H364-L390 VanDerWaalsContact CE1-CD2 3.46Å; H364-L390 WeakPolarHBondContact CE1-CD2 3.4Å
365	R	85.8	Confident	80.6	Confident	94 Å²	94	80 Å²	80	36%	0.355	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.8	168.6	58.7	-179.5	178.1	163.5	-3.9	109.7	W353 S354 T388 K389 C391	W353-R365 HydrophobicContact CD2-CG 4.31Å; W353-R365 HydrophobicContact CE3-CB 4.29Å; W353-R365 HydrophobicContact CE3-CG 3.75Å; W353-R365 HydrophobicContact CZ3-CG 4.31Å; W353-R365 WeakPolarHBondContact CZ3-O 3.49Å; S354-R365 WeakPolarHBondContact O-CB 3.42Å; R365-T388 CarbonylContact O-C 3.6Å; R365-T388 WeakPolarHBondContact O-CA 3.44Å; R365-K389 PolarHBondContact N-O 3.43Å; R365-K389 PolarHBondContact O-N 3.37Å; R365-C391 HydrophobicContact CB-CB 4.44Å; R365-C391 HydrophobicContact CG-CB 3.86Å; R365-C391 PolarHBondContact N-SG 3.37Å; R365-C391 VanDerWaalsContact N-SG 3.43Å
366	T	88.9	Confident	80.4	Confident	58 Å²	58	77.7 Å²	77.7	36%	0.356	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.8	-171.4	50.8	0	0	0	0	110.7	W353 S354 Q387 T388	W353-T366 WeakPolarHBondContact CA-O 3.31Å; S354-T366 PolarHBondContact N-O 3.2Å; S354-T366 PolarHBondContact OG-N 2.9Å; S354-T366 PolarHBondContact OG-O 3Å; S354-T366 VanDerWaalsContact OG-O 3.09Å; S354-T366 PolarHBondContact OG-OG1 2.94Å; T366-Q387 CarbonylContact C-O 3.52Å; T366-Q387 WeakPolarHBondContact CA-O 3.38Å; T366-T388 HydrophobicContact CG2-CG2 4.2Å
367	R	91.4	Very high	80	Confident	58 Å²	58	79.7 Å²	79.7	22%	0.219	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.1	165.1	61.1	178.3	-173.7	156.6	2.9	109.7	W350 S351 W353 T386 Q387	W350-R367 VanDerWaalsContact CB-NH1 3.29Å; W350-R367 HydrophobicContact CD2-CG 4.3Å; W350-R367 HydrophobicContact CE3-CB 4.44Å; W350-R367 HydrophobicContact CE3-CG 3.7Å; W350-R367 VanDerWaalsContact CG-CZ 3.46Å; W350-R367 HydrophobicContact CZ3-CG 4.28Å; W350-R367 WeakPolarHBondContact CZ3-O 3.25Å; S351-R367 WeakPolarHBondContact O-CB 3.5Å; S351-R367 WeakPolarHBondContact OG-CA 3.34Å; S351-R367 WeakPolarHBondContact OG-CB 3.42Å; W353-R367 HydrophobicContact CD2-CB 4.23Å; W353-R367 HydrophobicContact CD2-CG 3.99Å; W353-R367 VanDerWaalsContact CE2-CD 3.44Å; W353-R367 HydrophobicContact CE3-CB 4.03Å; W353-R367 HydrophobicContact CE3-CG 3.81Å; W353-R367 HydrophobicContact CH2-CG 3.85Å; W353-R367 HydrophobicContact CZ2-CG 4.03Å; W353-R367 HydrophobicContact CZ3-CB 4.39Å; W353-R367 HydrophobicContact CZ3-CG 3.74Å; R367-T386 WeakPolarHBondContact O-CA 3.47Å; R367-Q387 HydrophobicContact CG-CB 4.29Å; R367-Q387 PolarHBondContact N-O 3.39Å; R367-Q387 VanDerWaalsContact NE-OE1 3.1Å; R367-Q387 PolarHBondContact O-N 3.28Å
368	T	89.3	Confident	79.9	Confident	74 Å²	74	77.3 Å²	77.3	45%	0.454	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.6	-176.1	53.5	0	0	0	0	111.4	W350 S351 E385 T386	W350-T368 CarbonylContact C-O 3.6Å; W350-T368 WeakPolarHBondContact CA-O 3.42Å; S351-T368 WeakPolarHBondContact CB-O 3.49Å; S351-T368 PolarHBondContact N-O 2.85Å; S351-T368 PolarHBondContact OG-N 3.01Å; T368-E385 CarbonylContact C-O 3.34Å; T368-E385 VanDerWaalsContact CA-O 3.25Å; T368-E385 WeakPolarHBondContact CA-O 3.46Å; T368-T386 HydrophobicContact CG2-CG2 4.28Å
369	R	90.6	Very high	80.3	Confident	39 Å²	39	80 Å²	80	15%	0.147	43%	0.426	C	S	.	.			trans	-147.4	155.9	170.3	59.5	175.3	175.6	167.4	7.2	108.6	W347 W350 P384 E385	W347-R369 HydrophobicContact CD2-CG 4.37Å; W347-R369 HydrophobicContact CE3-CB 4.46Å; W347-R369 VanDerWaalsContact CE3-CD 3.41Å; W347-R369 HydrophobicContact CE3-CG 3.6Å; W347-R369 VanDerWaalsContact CG-CZ 3.5Å; W347-R369 HydrophobicContact CZ3-CG 3.87Å; W350-R369 HydrophobicContact CD2-CB 4.08Å; W350-R369 HydrophobicContact CD2-CG 4.04Å; W350-R369 HydrophobicContact CE3-CB 3.88Å; W350-R369 HydrophobicContact CE3-CG 3.78Å; W350-R369 HydrophobicContact CH2-CG 3.8Å; W350-R369 VanDerWaalsContact CH2-NE 3.31Å; W350-R369 VanDerWaalsContact CZ2-CD 3.46Å; W350-R369 HydrophobicContact CZ2-CG 4.09Å; W350-R369 HydrophobicContact CZ3-CB 4.24Å; W350-R369 HydrophobicContact CZ3-CG 3.65Å; R369-P384 PolarHBondContact NE-O 2.9Å; R369-P384 PolarHBondContact NH2-O 3.06Å; R369-E385 PolarHBondContact N-O 3.29Å
370	M	85.3	Confident	81.2	Confident	123 Å²	123	76.7 Å²	76.7	61%	0.606	41%	0.412	S	S	*	.			trans	-106.3	152.4	176.6	-59.5	-175.3	-61.6	0	0	110.8	E348	E348-M370 WeakPolarHBondContact CB-O 3.48Å; E348-M370 PolarHBondContact N-O 3.15Å; E348-M370 WeakPolarHBondContact OE2-CE 3.34Å
371	C	86.8	Confident	82	Confident	40 Å²	40	75.9 Å²	75.9	27%	0.27	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.8	174.4	172.3	0	0	0	0	109.1	W347 C381	W347-C371 HydrophobicContact CE3-CB 4Å; W347-C371 HydrophobicContact CH2-CB 4.12Å; W347-C371 HydrophobicContact CZ3-CB 3.71Å; C371-C381 VanDerWaalsContact CA-SG 3.54Å; C371-C381 HydrophobicContact CB-CB 3.76Å; C371-C381 WeakPolarHBondContact CB-SG 3.46Å; C371-C381 WeakPolarHBondContact SG-CB 3.41Å; C371-C381 CovalentContact SG-SG 2.03Å; C371-C381 PolarHBondContact SG-SG 3.15Å
372	A	85.3	Confident	82.8	Confident	39 Å²	39	81.4 Å²	81.4	32%	0.322	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	124	165.5	0	0	0	0	0	108.3	G345 V346	G345-A372 WeakPolarHBondContact CA-O 3.46Å; V346-A372 PolarHBondContact N-O 2.85Å; V346-A372 WeakPolarHBondContact O-CB 3.48Å; V346-A372 PolarHBondContact O-N 3.07Å
373	P	78.2	Confident	82.9	Confident	98 Å²	98	73.9 Å²	73.9	64%	0.636	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-68.5	142.1	-169.7	26	-34.6	0	0	0	112.1
374	P	83.1	Confident	83.1	Confident	47 Å²	47	77.7 Å²	77.7	31%	0.305	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-65.1	151.7	177	27.6	-35.1	0	0	0	112.3	V343 G378 A380	V343-P374 CarbonylContact O-C 3.6Å; V343-P374 VanDerWaalsContact O-CA 3.26Å; V343-P374 WeakPolarHBondContact O-CA 3.32Å; V343-P374 WeakPolarHBondContact O-CB 3.46Å; P374-G378 VanDerWaalsContact CB-O 3.27Å; P374-G378 WeakPolarHBondContact CB-O 3.5Å; P374-A380 HydrophobicContact CG-CB 4.44Å
375	Q	77.9	Confident	83.2	Confident	116 Å²	116	78.9 Å²	78.9	54%	0.542	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-125	158.6	176.7	-51.7	-175.1	22.9	0	0	110.9	V343 G377 G378	V343-Q375 HydrophobicContact CB-CB 4.18Å; V343-Q375 PolarHBondContact N-O 3.2Å; V343-Q375 PolarHBondContact O-N 2.96Å; Q375-G377 PolarHBondContact O-N 2.71Å; Q375-G377 VanDerWaalsContact O-N 3.12Å; Q375-G378 PolarHBondContact O-N 3.3Å
376	H	75.1	Confident	83.3	Confident	117 Å²	117	77.8 Å²	77.8	54%	0.542	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	35.2	177.6	-50.1	-61.4	0	0	0	115	P342	P342-H376 WeakPolarHBondContact CA-O 3.17Å
377	G	73.9	Confident	83.4	Confident	76 Å²	76	77.9 Å²	77.9	78%	0.784	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	15.4	-179.9	0	0	0	0	0	115.2	Q375	Q375-G377 PolarHBondContact O-N 2.71Å; Q375-G377 VanDerWaalsContact O-N 3.12Å
378	G	77.1	Confident	83.2	Confident	14 Å²	14	78.8 Å²	78.8	14%	0.144	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-60.4	158.4	169.7	0	0	0	0	0	113.6	P374 Q375	P374-G378 VanDerWaalsContact CB-O 3.27Å; P374-G378 WeakPolarHBondContact CB-O 3.5Å; Q375-G378 PolarHBondContact O-N 3.3Å
379	R	78.1	Confident	82.9	Confident	186 Å²	186	81 Å²	81	70%	0.702	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-76	144.2	175	-55.3	175.7	-167.9	177.6	3.3	110.1	H344 G345	H344-R379 PolarHBondContact ND1-N 3.45Å; G345-R379 PolarHBondContact N-O 2.86Å
380	A	83.6	Confident	82.3	Confident	67 Å²	67	84.5 Å²	84.5	55%	0.554	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-64.8	167.8	171.7	0	0	0	0	0	111.9	P374 D382	P374-A380 HydrophobicContact CG-CB 4.44Å; A380-D382 PolarHBondContact O-N 2.75Å
381	C	85.9	Confident	81.8	Confident	17 Å²	17	79.4 Å²	79.4	12%	0.115	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-73.3	117.9	180	-42.7	0	0	0	0	111.4	V346 W347 C371	V346-C381 VanDerWaalsContact C-SG 3.58Å; V346-C381 PolarHBondContact N-SG 2.69Å; V346-C381 VanDerWaalsContact N-SG 3.42Å; W347-C381 HydrophobicContact CD2-CB 3.65Å; W347-C381 HydrophobicContact CE3-CB 4.25Å; W347-C381 HydrophobicContact CG-CB 4.05Å; W347-C381 HydrophobicContact CH2-CB 4.13Å; W347-C381 HydrophobicContact CZ2-CB 3.51Å; W347-C381 WeakPolarHBondContact CZ2-O 3.43Å; W347-C381 HydrophobicContact CZ3-CB 4.46Å; C371-C381 VanDerWaalsContact CA-SG 3.54Å; C371-C381 HydrophobicContact CB-CB 3.76Å; C371-C381 WeakPolarHBondContact CB-SG 3.46Å; C371-C381 WeakPolarHBondContact SG-CB 3.41Å; C371-C381 CovalentContact SG-SG 2.03Å; C371-C381 PolarHBondContact SG-SG 3.15Å
382	D	81.4	Confident	80.7	Confident	140 Å²	140	80.6 Å²	80.6	75%	0.749	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-77.6	140.3	178.3	-80.7	-50.7	0	0	0	113	W347 A380	W347-D382 PolarHBondContact NE1-O 2.87Å; A380-D382 PolarHBondContact O-N 2.75Å
383	G	79	Confident	79.2	Confident	53 Å²	53	86 Å²	86	55%	0.546	49%	0.488	S	S	.	.	S	Bend	trans	103	-179.4	179	0	0	0	0	0	114.1	W347	W347-G383 VanDerWaalsContact CZ2-O 3.26Å; W347-G383 WeakPolarHBondContact CZ2-O 3.27Å
384	P	84	Confident	77.9	Confident	79 Å²	79	84 Å²	84	51%	0.513	48%	0.479	S	S	.	.			trans	-83.5	148.5	-173	32.9	-35.9	0	0	0	113.2	R369 T386	R369-P384 PolarHBondContact NE-O 2.9Å; R369-P384 PolarHBondContact NH2-O 3.06Å; P384-T386 WeakPolarHBondContact CB-O 3.32Å
385	E	87.1	Confident	77	Confident	122 Å²	122	87.2 Å²	87.2	57%	0.57	49%	0.493	S	S	*	.	S	Bend	trans	-74.9	-31.6	170.1	-62.3	-178.7	158.8	0	0	112.1	W347 W350 T368 R369	W347-E385 HydrophobicContact CH2-CB 4.48Å; W347-E385 HydrophobicContact CH2-CG 3.68Å; W347-E385 HydrophobicContact CZ3-CB 4.46Å; W347-E385 HydrophobicContact CZ3-CG 3.85Å; W350-E385 WeakPolarHBondContact CZ3-O 3.48Å; T368-E385 CarbonylContact C-O 3.34Å; T368-E385 VanDerWaalsContact CA-O 3.25Å; T368-E385 WeakPolarHBondContact CA-O 3.46Å; R369-E385 PolarHBondContact N-O 3.29Å
386	T	88.1	Confident	76.6	Confident	71 Å²	71	83.9 Å²	83.9	44%	0.436	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.1	177.8	-58.2	0	0	0	0	110.6	R367 T368 P384	R367-T386 WeakPolarHBondContact O-CA 3.47Å; T368-T386 HydrophobicContact CG2-CG2 4.28Å; P384-T386 WeakPolarHBondContact CB-O 3.32Å
387	Q	90.6	Very high	76.1	Confident	60 Å²	60	82 Å²	82	28%	0.28	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.1	172.5	-178.4	175.9	81.5	0	0	110.5	W350 W353 T366 R367	W350-Q387 HydrophobicContact CE3-CB 4.31Å; W350-Q387 HydrophobicContact CH2-CB 3.42Å; W350-Q387 VanDerWaalsContact CH2-CB 3.42Å; W350-Q387 HydrophobicContact CZ2-CB 4.07Å; W350-Q387 HydrophobicContact CZ3-CB 3.55Å; W353-Q387 HydrophobicContact CH2-CG 4.04Å; W353-Q387 WeakPolarHBondContact CZ3-O 3.46Å; T366-Q387 CarbonylContact C-O 3.52Å; T366-Q387 WeakPolarHBondContact CA-O 3.38Å; R367-Q387 HydrophobicContact CG-CB 4.29Å; R367-Q387 PolarHBondContact N-O 3.39Å; R367-Q387 VanDerWaalsContact NE-OE1 3.1Å; R367-Q387 PolarHBondContact O-N 3.28Å
388	T	86.5	Confident	76.2	Confident	77 Å²	77	81.7 Å²	81.7	47%	0.472	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.4	174.1	-51.9	0	0	0	0	109.9	H364 R365 T366	H364-T388 HydrophobicContact CB-CG2 3.91Å; R365-T388 CarbonylContact O-C 3.6Å; R365-T388 WeakPolarHBondContact O-CA 3.44Å; T366-T388 HydrophobicContact CG2-CG2 4.2Å
389	K	83.9	Confident	76.1	Confident	119 Å²	119	85 Å²	85	52%	0.517	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.7	165.3	-90.2	-169.9	174.4	-173.8	0	110.4	W353 H364 R365	W353-K389 HydrophobicContact CH2-CB 3.65Å; W353-K389 HydrophobicContact CH2-CD 3.87Å; W353-K389 HydrophobicContact CH2-CG 3.64Å; W353-K389 HydrophobicContact CZ2-CB 4.34Å; W353-K389 HydrophobicContact CZ2-CD 3.88Å; W353-K389 HydrophobicContact CZ2-CG 4.18Å; W353-K389 HydrophobicContact CZ3-CB 3.86Å; W353-K389 HydrophobicContact CZ3-CG 4.35Å; H364-K389 WeakPolarHBondContact CA-O 3.11Å; R365-K389 PolarHBondContact N-O 3.43Å; R365-K389 PolarHBondContact O-N 3.37Å
390	L	76.8	Confident	76.1	Confident	113 Å²	113	76.7 Å²	76.7	59%	0.592	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	148.1	165.9	-71.7	162	0	0	0	110.3	G363 H364	G363-L390 WeakPolarHBondContact O-CA 3.46Å; H364-L390 VanDerWaalsContact CE1-CD2 3.46Å; H364-L390 WeakPolarHBondContact CE1-CD2 3.4Å
391	C	75.3	Confident	75.9	Confident	16 Å²	16	79.8 Å²	79.8	11%	0.108	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.4	174.4	53.4	0	0	0	0	110.1	C356 G363 R365	C356-C391 WeakPolarHBondContact CA-SG 3.34Å; C356-C391 HydrophobicContact CB-CB 3.9Å; C356-C391 WeakPolarHBondContact CB-SG 3.45Å; C356-C391 WeakPolarHBondContact SG-CB 3.33Å; C356-C391 PolarHBondContact SG-O 3.49Å; C356-C391 CovalentContact SG-SG 2.03Å; C356-C391 PolarHBondContact SG-SG 2.85Å; G363-C391 CarbonylContact C-O 3.48Å; G363-C391 VanDerWaalsContact C-SG 3.51Å; G363-C391 WeakPolarHBondContact CA-O 3.49Å; G363-C391 PolarHBondContact N-O 3.2Å; G363-C391 PolarHBondContact O-N 2.97Å; G363-C391 VanDerWaalsContact O-O 3.07Å; R365-C391 HydrophobicContact CB-CB 4.44Å; R365-C391 HydrophobicContact CG-CB 3.86Å; R365-C391 PolarHBondContact N-SG 3.37Å; R365-C391 VanDerWaalsContact N-SG 3.43Å
392	N	64.1	Low	75.6	Confident	65 Å²	65	82.1 Å²	82.1	35%	0.348	46%	0.459	S	S	.	.			trans	59.7	130.4	-173.8	-66.2	-11.7	0	0	0	115	F358 G361	F358-N392 PolarHBondContact O-ND2 3.47Å; G361-N392 CarbonylContact O-C 3.13Å; G361-N392 VanDerWaalsContact O-C 3.3Å; G361-N392 WeakPolarHBondContact O-CB 3.43Å
393	I	54.6	Low	75.6	Confident	154 Å²	154	80.7 Å²	80.7	79%	0.79	45%	0.448	S	S	*	.			trans	-140	29.7	166.9	-35.7	176.8	0	0	0	107.9	L395	I393-L395 PolarHBondContact O-N 3.14Å
394	A	50.9	Low	75.8	Confident	55 Å²	55	86.8 Å²	86.8	46%	0.455	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-71.1	120	164.1	0	0	0	0	0	106.6	G361 C396	G361-A394 PolarHBondContact N-O 3.03Å; A394-C396 PolarHBondContact O-N 3.47Å
395	L	63.1	Low	75.8	Confident	115 Å²	115	86.3 Å²	86.3	60%	0.602	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-64.6	126.3	178.6	-61.2	167	0	0	0	108	I393 H431	I393-L395 PolarHBondContact O-N 3.14Å; L395-H431 HydrophobicContact CB-CB 4.4Å; L395-H431 VanDerWaalsContact CB-CD2 3.44Å; L395-H431 WeakPolarHBondContact CB-CD2 3.35Å; L395-H431 WeakPolarHBondContact CD1-CE1 3.49Å
396	C	69.4	Low	75.5	Confident	45 Å²	45	82.8 Å²	82.8	30%	0.304	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64.2	151.5	179	-69.8	0	0	0	0	110.9	C360 G361 A394 V398 H431	C360-C396 HydrophobicContact CB-CB 3.94Å; C360-C396 WeakPolarHBondContact CB-SG 3.4Å; C360-C396 WeakPolarHBondContact SG-CA 3.47Å; C360-C396 WeakPolarHBondContact SG-CB 3.26Å; C360-C396 CovalentContact SG-SG 2.04Å; C360-C396 PolarHBondContact SG-SG 3.29Å; G361-C396 PolarHBondContact N-SG 3.13Å; A394-C396 PolarHBondContact O-N 3.47Å; C396-V398 PolarHBondContact O-N 3.04Å; C396-H431 WeakPolarHBondContact O-CB 3.4Å; C396-H431 PolarHBondContact O-CD2 2.87Å
397	P	65.3	Low	75	Confident	77 Å²	77	84.3 Å²	84.3	50%	0.5	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.3	128.9	165.6	25.8	-34	0	0	0	109.3	A430	P397-A430 WeakPolarHBondContact CA-O 3.47Å
398	V	75.8	Confident	74.5	Confident	71 Å²	71	84.1 Å²	84.1	43%	0.43	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-114.6	107.8	173.3	-179.1	0	0	0	0	106.2	C396 A429 A430	C396-V398 PolarHBondContact O-N 3.04Å; V398-A429 CarbonylContact O-C 3.57Å; V398-A429 WeakPolarHBondContact O-CA 3.41Å; V398-A430 HydrophobicContact CB-CB 4.24Å; V398-A430 PolarHBondContact N-O 3.23Å; V398-A430 PolarHBondContact O-N 3.48Å
399	D	73.8	Confident	74.1	Confident	83 Å²	83	82.9 Å²	82.9	44%	0.444	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-59.4	141.3	170.1	-64.8	-63.9	0	0	0	110.1	Q401 S434	D399-Q401 PolarHBondContact O-N 3.49Å; D399-S434 CarbonylContact C-O 3.58Å; D399-S434 WeakPolarHBondContact CA-O 3.46Å; D399-S434 WeakPolarHBondContact OD1-CB 3.5Å; D399-S434 PolarHBondContact OD1-N 3.14Å; D399-S434 PolarHBondContact OD1-OG 3.43Å
400	G	78.6	Confident	73.6	Confident	11 Å²	11	84.2 Å²	84.2	11%	0.113	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-61.2	121.2	172.7	0	0	0	0	0	109.6	S427 S434 C436	G400-S427 VanDerWaalsContact CA-O 3.23Å; G400-S427 WeakPolarHBondContact CA-O 3.39Å; G400-S434 PolarHBondContact N-O 3.23Å; G400-C436 PolarHBondContact O-SG 3.32Å
401	Q	78.9	Confident	73.6	Confident	133 Å²	133	79.9 Å²	79.9	62%	0.621	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-103.1	137.7	175.8	-61.9	-172.9	7	0	0	109.4	D399 Q403 S427	D399-Q401 PolarHBondContact O-N 3.49Å; Q401-Q403 PolarHBondContact O-N 3.38Å; Q401-S427 PolarHBondContact N-OG 2.94Å; Q401-S427 PolarHBondContact O-N 3.08Å; Q401-S427 PolarHBondContact O-OG 3.03Å
402	W	81.1	Confident	73.1	Confident	66 Å²	66	81.1 Å²	81.1	25%	0.25	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-61.4	123.8	168.4	-74.6	120.8	0	0	0	109.2	R424 C426 C436 R437 G438 W440	W402-R424 HydrophobicContact CD2-CG 4.14Å; W402-R424 HydrophobicContact CE3-CB 4.42Å; W402-R424 HydrophobicContact CE3-CG 3.59Å; W402-R424 HydrophobicContact CZ3-CG 4.1Å; W402-C426 HydrophobicContact CE3-CB 4.16Å; W402-C426 HydrophobicContact CH2-CB 4.37Å; W402-C426 HydrophobicContact CZ3-CB 3.82Å; W402-C436 HydrophobicContact CD2-CB 3.71Å; W402-C436 HydrophobicContact CE3-CB 4.09Å; W402-C436 HydrophobicContact CG-CB 4.24Å; W402-C436 HydrophobicContact CH2-CB 3.88Å; W402-C436 HydrophobicContact CZ2-CB 3.48Å; W402-C436 VanDerWaalsContact CZ2-CB 3.48Å; W402-C436 HydrophobicContact CZ3-CB 4.19Å; W402-R437 PolarHBondContact NE1-O 3.35Å; W402-G438 WeakPolarHBondContact CZ2-O 3.26Å; W402-W440 HydrophobicContact CH2-CB 3.65Å; W402-W440 HydrophobicContact CZ3-CB 3.78Å
403	Q	81.3	Confident	72.8	Confident	110 Å²	110	79.4 Å²	79.4	51%	0.514	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.5	165.6	163.7	-63.6	-66.7	2.2	0	0	109.9	Q401 Q425	Q401-Q403 PolarHBondContact O-N 3.38Å; Q403-Q425 WeakPolarHBondContact CB-O 3.31Å; Q403-Q425 HydrophobicContact CG-CB 4.38Å; Q403-Q425 WeakPolarHBondContact CG-O 3.2Å; Q403-Q425 PolarHBondContact N-O 2.85Å
404	E	83	Confident	72.8	Confident	181 Å²	181	76.1 Å²	76.1	85%	0.846	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-54.7	150.2	167.1	-63.6	-157.1	154.7	0	0	110.6
405	W	83.4	Confident	73.3	Confident	69 Å²	69	74.3 Å²	74.3	26%	0.261	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.5	142.3	173.4	-68.8	104	0	0	0	110	R422 R424 E442	W405-R422 HydrophobicContact CB-CG 4.32Å; W405-R422 HydrophobicContact CD2-CG 4.13Å; W405-R422 HydrophobicContact CE3-CB 4.48Å; W405-R422 HydrophobicContact CE3-CG 3.72Å; W405-R422 HydrophobicContact CG-CG 4.43Å; W405-R422 HydrophobicContact CZ3-CG 4.34Å; W405-R424 HydrophobicContact CD2-CB 4.07Å; W405-R424 HydrophobicContact CD2-CG 4.01Å; W405-R424 HydrophobicContact CE3-CB 3.71Å; W405-R424 HydrophobicContact CE3-CG 3.6Å; W405-R424 HydrophobicContact CH2-CG 3.92Å; W405-R424 HydrophobicContact CZ2-CG 4.3Å; W405-R424 VanDerWaalsContact CZ2-CZ 3.45Å; W405-R424 VanDerWaalsContact CZ2-NE 3.3Å; W405-R424 HydrophobicContact CZ3-CB 4.17Å; W405-R424 HydrophobicContact CZ3-CG 3.56Å; W405-E442 HydrophobicContact CE3-CB 4.45Å; W405-E442 HydrophobicContact CH2-CB 3.6Å; W405-E442 HydrophobicContact CZ2-CB 4.11Å; W405-E442 HydrophobicContact CZ3-CB 3.78Å
406	S	80.1	Confident	73.4	Confident	48 Å²	48	70.7 Å²	70.7	34%	0.336	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-52.7	160.6	164.9	73.5	0	0	0	0	110.6	R422 T423	S406-R422 WeakPolarHBondContact OG-CA 3.34Å; S406-R422 WeakPolarHBondContact OG-CB 3.4Å; S406-T423 WeakPolarHBondContact CB-O 3.12Å; S406-T423 PolarHBondContact N-O 3.49Å; S406-T423 PolarHBondContact OG-N 3.42Å; S406-T423 VanDerWaalsContact OG-N 3.09Å; S406-T423 PolarHBondContact OG-O 3.44Å
407	S	78.1	Confident	73.4	Confident	102 Å²	102	73.8 Å²	73.8	71%	0.713	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-46.9	146.5	155.2	45.2	0	0	0	0	109.9	S409	S407-S409 PolarHBondContact O-N 2.98Å
408	W	81.6	Confident	73.7	Confident	56 Å²	56	70.8 Å²	70.8	21%	0.212	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-59.9	135.5	165.4	-71.1	101.9	0	0	0	108.3	Q420 R422 E442 R444	W408-Q420 HydrophobicContact CB-CB 4.2Å; W408-Q420 HydrophobicContact CD2-CB 4.36Å; W408-Q420 HydrophobicContact CE3-CB 3.78Å; W408-Q420 WeakPolarHBondContact CZ3-O 3.49Å; W408-R422 HydrophobicContact CD2-CB 4.15Å; W408-R422 HydrophobicContact CD2-CG 4.01Å; W408-R422 VanDerWaalsContact CE2-CD 3.42Å; W408-R422 HydrophobicContact CE3-CB 3.88Å; W408-R422 HydrophobicContact CE3-CG 3.77Å; W408-R422 HydrophobicContact CH2-CG 3.83Å; W408-R422 HydrophobicContact CZ2-CG 4.05Å; W408-R422 VanDerWaalsContact CZ2-NE 3.27Å; W408-R422 HydrophobicContact CZ3-CB 4.21Å; W408-R422 HydrophobicContact CZ3-CG 3.67Å; W408-E442 HydrophobicContact CH2-CB 4.32Å; W408-E442 HydrophobicContact CH2-CG 3.93Å; W408-R444 VanDerWaalsContact CD1-CZ 3.46Å; W408-R444 HydrophobicContact CD2-CG 4.17Å; W408-R444 HydrophobicContact CE3-CG 3.85Å; W408-R444 HydrophobicContact CH2-CB 3.77Å; W408-R444 HydrophobicContact CH2-CG 3.68Å; W408-R444 HydrophobicContact CZ2-CB 4.33Å; W408-R444 HydrophobicContact CZ2-CG 4.02Å; W408-R444 HydrophobicContact CZ3-CB 4Å; W408-R444 HydrophobicContact CZ3-CG 3.6Å
409	S	77.1	Confident	73.6	Confident	51 Å²	51	70.3 Å²	70.3	36%	0.357	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53.2	162.2	168.4	70.7	0	0	0	0	110.5	S407 Q420 Q421	S407-S409 PolarHBondContact O-N 2.98Å; S409-Q420 VanDerWaalsContact O-CD 3.26Å; S409-Q420 WeakPolarHBondContact O-CG 3.5Å; S409-Q420 PolarHBondContact O-NE2 3.44Å; S409-Q421 WeakPolarHBondContact CB-O 3.47Å; S409-Q421 PolarHBondContact N-O 3.46Å; S409-Q421 PolarHBondContact OG-N 3.12Å; S409-Q421 PolarHBondContact OG-O 2.93Å
410	D	73.9	Confident	73.6	Confident	148 Å²	148	68 Å²	68	79%	0.791	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-52.8	153.6	158.5	-63.7	-59.9	0	0	0	110.4	S412	D410-S412 PolarHBondContact O-N 3.33Å
411	C	76.5	Confident	73.7	Confident	21 Å²	21	72.8 Å²	72.8	14%	0.142	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-60.3	132.8	177.3	-169.1	0	0	0	0	108.8	V413 Q420 C446	C411-V413 CarbonylContact C-O 3.54Å; C411-V413 WeakPolarHBondContact CB-O 3.2Å; C411-V413 CarbonylContact O-C 3.52Å; C411-V413 PolarHBondContact O-N 3.42Å; C411-V413 VanDerWaalsContact O-O 3.13Å; C411-Q420 HydrophobicContact CB-CG 4.31Å; C411-C446 WeakPolarHBondContact CA-SG 3.32Å; C411-C446 HydrophobicContact CB-CB 3.9Å; C411-C446 WeakPolarHBondContact CB-SG 3.46Å; C411-C446 WeakPolarHBondContact SG-CB 3.48Å; C411-C446 CovalentContact SG-SG 2.03Å; C411-C446 PolarHBondContact SG-SG 3.19Å
412	S	65.6	Low	73.8	Confident	43 Å²	43	69.3 Å²	69.3	30%	0.301	38%	0.375	S	S	.	.	S	Bend	trans	-62.5	-11.2	-176.3	59.9	0	0	0	0	113.8	D410 T419 V480	D410-S412 PolarHBondContact O-N 3.33Å; S412-T419 VanDerWaalsContact CB-O 3.23Å; S412-T419 WeakPolarHBondContact CB-O 3.4Å; S412-T419 PolarHBondContact N-O 2.83Å; S412-T419 PolarHBondContact OG-N 3.18Å; S412-T419 PolarHBondContact OG-O 3.24Å; S412-T419 PolarHBondContact OG-OG1 2.96Å; S412-V480 WeakPolarHBondContact O-CG2 3.46Å
413	V	55.9	Low	73.8	Confident	29 Å²	29	69 Å²	69	18%	0.176	38%	0.38	C	S	.	.	S	Bend	trans	-117.6	145.1	165.5	-58.4	0	0	0	0	109.7	C411 C415 A416 V480	C411-V413 CarbonylContact C-O 3.54Å; C411-V413 WeakPolarHBondContact CB-O 3.2Å; C411-V413 CarbonylContact O-C 3.52Å; C411-V413 PolarHBondContact O-N 3.42Å; C411-V413 VanDerWaalsContact O-O 3.13Å; V413-C415 VanDerWaalsContact CB-O 3.23Å; V413-C415 WeakPolarHBondContact CB-O 3.42Å; V413-C415 WeakPolarHBondContact CG2-O 3.38Å; V413-C415 PolarHBondContact O-N 2.92Å; V413-A416 WeakPolarHBondContact CG2-O 3.41Å; V413-V480 HydrophobicContact CG1-CG1 4.27Å
414	T	55.2	Low	73.6	Confident	85 Å²	85	66.3 Å²	66.3	52%	0.521	37%	0.366	S	S	.	.	S	Bend	trans	-70.2	-19.3	168.2	47.5	0	0	0	0	112.3	N448 Q482	T414-N448 VanDerWaalsContact O-CB 3.28Å; T414-N448 WeakPolarHBondContact O-CB 3.06Å; T414-N448 PolarHBondContact O-ND2 2.86Å; T414-Q482 PolarHBondContact OG1-NE2 3.4Å
415	C	62.3	Low	73.5	Confident	16 Å²	16	64.9 Å²	64.9	11%	0.108	36%	0.359	C	S	.	.	S	Bend	trans	-158.8	158.3	-171.4	71.7	0	0	0	0	112.2	V413 N448 D450 C451	V413-C415 VanDerWaalsContact CB-O 3.23Å; V413-C415 WeakPolarHBondContact CB-O 3.42Å; V413-C415 WeakPolarHBondContact CG2-O 3.38Å; V413-C415 PolarHBondContact O-N 2.92Å; C415-N448 CarbonylContact C-O 3.56Å; C415-D450 VanDerWaalsContact CB-C 3.43Å; C415-D450 WeakPolarHBondContact CB-O 3.28Å; C415-C451 HydrophobicContact CB-CB 3.78Å; C415-C451 WeakPolarHBondContact CB-SG 3.35Å; C415-C451 WeakPolarHBondContact SG-CA 3.36Å; C415-C451 WeakPolarHBondContact SG-CB 3.38Å; C415-C451 CovalentContact SG-SG 2.03Å; C415-C451 PolarHBondContact SG-SG 2.66Å
416	A	63.7	Low	73.3	Confident	40 Å²	40	64.3 Å²	64.3	33%	0.331	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.6	-161.4	-167	0	0	0	0	0	113.3	V413 H447 N448	V413-A416 WeakPolarHBondContact CG2-O 3.41Å; A416-H447 WeakPolarHBondContact O-CA 3.47Å; A416-N448 WeakPolarHBondContact CA-O 3.44Å; A416-N448 PolarHBondContact N-O 3.31Å; A416-N448 PolarHBondContact O-N 3.14Å; A416-N448 VanDerWaalsContact O-N 3.08Å
417	N	70.9	Confident	73.3	Confident	110 Å²	110	63.7 Å²	63.7	59%	0.588	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.9	178.2	-69.6	18.2	0	0	0	110.7	C446 H447	N417-C446 CarbonylContact C-O 3.59Å; N417-C446 WeakPolarHBondContact CA-O 3.22Å; N417-H447 PolarHBondContact OD1-ND1 3.44Å
418	G	71.8	Confident	72.8	Confident	13 Å²	13	63.2 Å²	63.2	13%	0.134	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	-157.9	168.3	0	0	0	0	0	111.3	E445 C446	G418-E445 WeakPolarHBondContact O-CA 3.23Å; G418-C446 PolarHBondContact N-O 3.08Å; G418-C446 PolarHBondContact O-N 3.46Å; G418-C446 PolarHBondContact O-SG 3.32Å
419	T	72.6	Confident	72.3	Confident	62 Å²	62	62.5 Å²	62.5	38%	0.38	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139	-179.8	49.1	0	0	0	0	111.2	S412 R444 C446	S412-T419 VanDerWaalsContact CB-O 3.23Å; S412-T419 WeakPolarHBondContact CB-O 3.4Å; S412-T419 PolarHBondContact N-O 2.83Å; S412-T419 PolarHBondContact OG-N 3.18Å; S412-T419 PolarHBondContact OG-O 3.24Å; S412-T419 PolarHBondContact OG-OG1 2.96Å; T419-R444 CarbonylContact C-O 3.59Å; T419-R444 VanDerWaalsContact CA-O 3.24Å; T419-R444 WeakPolarHBondContact CA-O 3.37Å; T419-C446 PolarHBondContact N-SG 3.12Å; T419-C446 VanDerWaalsContact N-SG 3.36Å
420	Q	74.3	Confident	71.6	Confident	34 Å²	34	61.4 Å²	61.4	16%	0.159	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.4	161.7	-70.7	-178.8	-47.3	0	0	108.5	W408 S409 C411 S443 R444 C446	W408-Q420 HydrophobicContact CB-CB 4.2Å; W408-Q420 HydrophobicContact CD2-CB 4.36Å; W408-Q420 HydrophobicContact CE3-CB 3.78Å; W408-Q420 WeakPolarHBondContact CZ3-O 3.49Å; S409-Q420 VanDerWaalsContact O-CD 3.26Å; S409-Q420 WeakPolarHBondContact O-CG 3.5Å; S409-Q420 PolarHBondContact O-NE2 3.44Å; C411-Q420 HydrophobicContact CB-CG 4.31Å; Q420-S443 WeakPolarHBondContact O-CA 3.42Å; Q420-R444 HydrophobicContact CB-CG 4.1Å; Q420-R444 PolarHBondContact N-O 3.03Å; Q420-R444 PolarHBondContact O-N 2.86Å; Q420-R444 VanDerWaalsContact OE1-CZ 3.26Å; Q420-C446 HydrophobicContact CG-CB 3.9Å
421	Q	81.1	Confident	71.5	Confident	111 Å²	111	59.6 Å²	59.6	52%	0.519	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.7	172.5	-58.3	-161.2	-51.1	0	0	109.8	S409 E442 S443	S409-Q421 WeakPolarHBondContact CB-O 3.47Å; S409-Q421 PolarHBondContact N-O 3.46Å; S409-Q421 PolarHBondContact OG-N 3.12Å; S409-Q421 PolarHBondContact OG-O 2.93Å; Q421-E442 WeakPolarHBondContact CA-O 3.22Å; Q421-S443 PolarHBondContact NE2-OG 3.44Å
422	R	81.1	Confident	70.7	Confident	60 Å²	60	62.2 Å²	62.2	23%	0.226	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.6	164.2	65.7	-176.8	-175.2	174.9	-6.9	109.4	W405 S406 W408 E442	W405-R422 HydrophobicContact CB-CG 4.32Å; W405-R422 HydrophobicContact CD2-CG 4.13Å; W405-R422 HydrophobicContact CE3-CB 4.48Å; W405-R422 HydrophobicContact CE3-CG 3.72Å; W405-R422 HydrophobicContact CG-CG 4.43Å; W405-R422 HydrophobicContact CZ3-CG 4.34Å; S406-R422 WeakPolarHBondContact OG-CA 3.34Å; S406-R422 WeakPolarHBondContact OG-CB 3.4Å; W408-R422 HydrophobicContact CD2-CB 4.15Å; W408-R422 HydrophobicContact CD2-CG 4.01Å; W408-R422 VanDerWaalsContact CE2-CD 3.42Å; W408-R422 HydrophobicContact CE3-CB 3.88Å; W408-R422 HydrophobicContact CE3-CG 3.77Å; W408-R422 HydrophobicContact CH2-CG 3.83Å; W408-R422 HydrophobicContact CZ2-CG 4.05Å; W408-R422 VanDerWaalsContact CZ2-NE 3.27Å; W408-R422 HydrophobicContact CZ3-CB 4.21Å; W408-R422 HydrophobicContact CZ3-CG 3.67Å; R422-E442 HydrophobicContact CG-CB 4.14Å; R422-E442 IonicContact CZ-OE2 3.1Å; R422-E442 PolarHBondContact N-O 2.88Å; R422-E442 IonicContact NE-OE2 3.71Å; R422-E442 PolarHBondContact NE-OE2 3.44Å; R422-E442 IonicContact NH2-OE1 3.31Å; R422-E442 IonicContact NH2-OE2 3.78Å; R422-E442 PolarHBondContact NH2-OE2 3.5Å; R422-E442 PolarHBondContact O-N 3.09Å
423	T	80.6	Confident	70.9	Confident	61 Å²	61	61.1 Å²	61.1	37%	0.374	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.8	178.4	60.7	0	0	0	0	109.4	S406 W440 A441	S406-T423 WeakPolarHBondContact CB-O 3.12Å; S406-T423 PolarHBondContact N-O 3.49Å; S406-T423 PolarHBondContact OG-N 3.42Å; S406-T423 VanDerWaalsContact OG-N 3.09Å; S406-T423 PolarHBondContact OG-O 3.44Å; T423-W440 WeakPolarHBondContact CA-O 3.26Å; T423-W440 HydrophobicContact CG2-CE3 4.14Å; T423-W440 HydrophobicContact CG2-CZ3 3.85Å; T423-A441 HydrophobicContact CG2-CB 4.14Å
424	R	77.7	Confident	71.4	Confident	53 Å²	53	63 Å²	63	20%	0.2	39%	0.389	C	S	.	.			trans	-132	139.1	172	57.3	-178	178	176.8	-3.6	108.5	W402 W405 H439 W440	W402-R424 HydrophobicContact CD2-CG 4.14Å; W402-R424 HydrophobicContact CE3-CB 4.42Å; W402-R424 HydrophobicContact CE3-CG 3.59Å; W402-R424 HydrophobicContact CZ3-CG 4.1Å; W405-R424 HydrophobicContact CD2-CB 4.07Å; W405-R424 HydrophobicContact CD2-CG 4.01Å; W405-R424 HydrophobicContact CE3-CB 3.71Å; W405-R424 HydrophobicContact CE3-CG 3.6Å; W405-R424 HydrophobicContact CH2-CG 3.92Å; W405-R424 HydrophobicContact CZ2-CG 4.3Å; W405-R424 VanDerWaalsContact CZ2-CZ 3.45Å; W405-R424 VanDerWaalsContact CZ2-NE 3.3Å; W405-R424 HydrophobicContact CZ3-CB 4.17Å; W405-R424 HydrophobicContact CZ3-CG 3.56Å; R424-H439 PolarHBondContact NE-O 2.64Å; R424-H439 PolarHBondContact NH2-O 3.07Å; R424-W440 PolarHBondContact N-O 3.38Å
425	Q	80.6	Confident	72.6	Confident	151 Å²	151	66.6 Å²	66.6	71%	0.706	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-87.1	141.7	177.8	-59.6	-176.9	12.8	0	0	108.7	Q403	Q403-Q425 WeakPolarHBondContact CB-O 3.31Å; Q403-Q425 HydrophobicContact CG-CB 4.38Å; Q403-Q425 WeakPolarHBondContact CG-O 3.2Å; Q403-Q425 PolarHBondContact N-O 2.85Å
426	C	78.8	Confident	73.3	Confident	56 Å²	56	66.9 Å²	66.9	38%	0.378	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-78.2	127.8	165.9	-177	0	0	0	0	107.4	W402 C436	W402-C426 HydrophobicContact CE3-CB 4.16Å; W402-C426 HydrophobicContact CH2-CB 4.37Å; W402-C426 HydrophobicContact CZ3-CB 3.82Å; C426-C436 WeakPolarHBondContact CA-SG 3.48Å; C426-C436 HydrophobicContact CB-CB 3.82Å; C426-C436 WeakPolarHBondContact CB-SG 3.43Å; C426-C436 WeakPolarHBondContact SG-CB 3.3Å; C426-C436 PolarHBondContact SG-N 3.3Å; C426-C436 CovalentContact SG-SG 2.03Å; C426-C436 PolarHBondContact SG-SG 3.41Å
427	S	80.4	Confident	73.7	Confident	36 Å²	36	76 Å²	76	25%	0.252	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-65.2	139	166.7	62.4	0	0	0	0	108.9	G400 Q401 A429	G400-S427 VanDerWaalsContact CA-O 3.23Å; G400-S427 WeakPolarHBondContact CA-O 3.39Å; Q401-S427 PolarHBondContact N-OG 2.94Å; Q401-S427 PolarHBondContact O-N 3.08Å; Q401-S427 PolarHBondContact O-OG 3.03Å; S427-A429 PolarHBondContact O-N 2.91Å; S427-A429 VanDerWaalsContact O-N 3.15Å
428	A	68.3	Low	73.8	Confident	91 Å²	91	73.5 Å²	73.5	75%	0.752	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.1	119.3	-173.1	0	0	0	0	0	110.6	A430	A428-A430 PolarHBondContact O-N 2.97Å
429	A	69.6	Low	73.6	Confident	41 Å²	41	80.1 Å²	80.1	34%	0.339	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-60.3	127.3	174.9	0	0	0	0	0	109.5	V398 S427 S434	V398-A429 CarbonylContact O-C 3.57Å; V398-A429 WeakPolarHBondContact O-CA 3.41Å; S427-A429 PolarHBondContact O-N 2.91Å; S427-A429 VanDerWaalsContact O-N 3.15Å; A429-S434 WeakPolarHBondContact CB-O 3.46Å
430	A	62.3	Low	73.8	Confident	28 Å²	28	85.3 Å²	85.3	23%	0.231	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-120.7	150.7	-170.9	0	0	0	0	0	111.6	P397 V398 A428 G432 G433	P397-A430 WeakPolarHBondContact CA-O 3.47Å; V398-A430 HydrophobicContact CB-CB 4.24Å; V398-A430 PolarHBondContact N-O 3.23Å; V398-A430 PolarHBondContact O-N 3.48Å; A428-A430 PolarHBondContact O-N 2.97Å; A430-G432 PolarHBondContact O-N 3.33Å; A430-G433 PolarHBondContact O-N 2.95Å
431	H	71.8	Confident	73.9	Confident	111 Å²	111	85.5 Å²	85.5	51%	0.514	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	28.4	170.8	-40.6	-59.1	0	0	0	115.5	L395 C396	L395-H431 HydrophobicContact CB-CB 4.4Å; L395-H431 VanDerWaalsContact CB-CD2 3.44Å; L395-H431 WeakPolarHBondContact CB-CD2 3.35Å; L395-H431 WeakPolarHBondContact CD1-CE1 3.49Å; C396-H431 WeakPolarHBondContact O-CB 3.4Å; C396-H431 PolarHBondContact O-CD2 2.87Å
432	G	60.4	Low	73.8	Confident	75 Å²	75	83.7 Å²	83.7	77%	0.773	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	9.9	179.2	0	0	0	0	0	115.5	A430	A430-G432 PolarHBondContact O-N 3.33Å
433	G	69.9	Low	73.6	Confident	20 Å²	20	84 Å²	84	21%	0.206	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-65.7	163	167.2	0	0	0	0	0	113.3	A430	A430-G433 PolarHBondContact O-N 2.95Å
434	S	65.4	Low	73.4	Confident	68 Å²	68	86.6 Å²	86.6	48%	0.476	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-89.8	156.2	179	65.3	0	0	0	0	113.1	D399 G400 A429	D399-S434 CarbonylContact C-O 3.58Å; D399-S434 WeakPolarHBondContact CA-O 3.46Å; D399-S434 WeakPolarHBondContact OD1-CB 3.5Å; D399-S434 PolarHBondContact OD1-N 3.14Å; D399-S434 PolarHBondContact OD1-OG 3.43Å; G400-S434 PolarHBondContact N-O 3.23Å; A429-S434 WeakPolarHBondContact CB-O 3.46Å
435	E	80.3	Confident	73.2	Confident	162 Å²	162	91.7 Å²	91.7	76%	0.757	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-77.6	155	-179.7	-63.7	-176.1	162.9	0	0	113.5	R437	E435-R437 PolarHBondContact O-N 3.48Å
436	C	78.8	Confident	72.9	Confident	21 Å²	21	85.3 Å²	85.3	14%	0.142	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-58.2	122.4	-178.8	-54.6	0	0	0	0	112.7	G400 W402 C426	G400-C436 PolarHBondContact O-SG 3.32Å; W402-C436 HydrophobicContact CD2-CB 3.71Å; W402-C436 HydrophobicContact CE3-CB 4.09Å; W402-C436 HydrophobicContact CG-CB 4.24Å; W402-C436 HydrophobicContact CH2-CB 3.88Å; W402-C436 HydrophobicContact CZ2-CB 3.48Å; W402-C436 VanDerWaalsContact CZ2-CB 3.48Å; W402-C436 HydrophobicContact CZ3-CB 4.19Å; C426-C436 WeakPolarHBondContact CA-SG 3.48Å; C426-C436 HydrophobicContact CB-CB 3.82Å; C426-C436 WeakPolarHBondContact CB-SG 3.43Å; C426-C436 WeakPolarHBondContact SG-CB 3.3Å; C426-C436 PolarHBondContact SG-N 3.3Å; C426-C436 CovalentContact SG-SG 2.03Å; C426-C436 PolarHBondContact SG-SG 3.41Å
437	R	72.1	Confident	72.6	Confident	232 Å²	232	88.5 Å²	88.5	88%	0.875	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-88.8	133.9	174.7	-67.5	-175.2	173.4	-163.6	-3	111.8	W402 E435	W402-R437 PolarHBondContact NE1-O 3.35Å; E435-R437 PolarHBondContact O-N 3.48Å
438	G	71.6	Confident	71.7	Confident	57 Å²	57	90 Å²	90	59%	0.588	49%	0.493	S	S	*	.	S	Bend	trans	121.8	-175.4	178.5	0	0	0	0	0	113.1	W402	W402-G438 WeakPolarHBondContact CZ2-O 3.26Å
439	H	69	Low	71.2	Confident	153 Å²	153	90.5 Å²	90.5	71%	0.708	49%	0.489	S	S	*	.			trans	-82.3	139.4	178.8	-58.9	-74	0	0	0	111.9	R424	R424-H439 PolarHBondContact NE-O 2.64Å; R424-H439 PolarHBondContact NH2-O 3.07Å
440	W	76.8	Confident	70.5	Confident	170 Å²	170	95.2 Å²	95.2	64%	0.644	51%	0.509	S	S	*	.	S	Bend	trans	-90.1	-17.2	179.1	65.4	-92	0	0	0	113.6	W402 T423 R424	W402-W440 HydrophobicContact CH2-CB 3.65Å; W402-W440 HydrophobicContact CZ3-CB 3.78Å; T423-W440 WeakPolarHBondContact CA-O 3.26Å; T423-W440 HydrophobicContact CG2-CE3 4.14Å; T423-W440 HydrophobicContact CG2-CZ3 3.85Å; R424-W440 PolarHBondContact N-O 3.38Å
441	A	75.2	Confident	70.1	Confident	38 Å²	38	96.4 Å²	96.4	31%	0.314	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.8	176.7	0	0	0	0	0	109.9	T423	T423-A441 HydrophobicContact CG2-CB 4.14Å
442	E	79.9	Confident	69.3	Low	73 Å²	73	97.7 Å²	97.7	34%	0.341	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.9	174.8	-168.7	-177.7	-171.1	0	0	108.7	W405 W408 Q421 R422	W405-E442 HydrophobicContact CE3-CB 4.45Å; W405-E442 HydrophobicContact CH2-CB 3.6Å; W405-E442 HydrophobicContact CZ2-CB 4.11Å; W405-E442 HydrophobicContact CZ3-CB 3.78Å; W408-E442 HydrophobicContact CH2-CB 4.32Å; W408-E442 HydrophobicContact CH2-CG 3.93Å; Q421-E442 WeakPolarHBondContact CA-O 3.22Å; R422-E442 HydrophobicContact CG-CB 4.14Å; R422-E442 IonicContact CZ-OE2 3.1Å; R422-E442 PolarHBondContact N-O 2.88Å; R422-E442 IonicContact NE-OE2 3.71Å; R422-E442 PolarHBondContact NE-OE2 3.44Å; R422-E442 IonicContact NH2-OE1 3.31Å; R422-E442 IonicContact NH2-OE2 3.78Å; R422-E442 PolarHBondContact NH2-OE2 3.5Å; R422-E442 PolarHBondContact O-N 3.09Å
443	S	75.8	Confident	68.9	Low	68 Å²	68	96.5 Å²	96.5	48%	0.476	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.1	178.3	-60.2	0	0	0	0	109.4	Q420 Q421	Q420-S443 WeakPolarHBondContact O-CA 3.42Å; Q421-S443 PolarHBondContact NE2-OG 3.44Å
444	R	76.3	Confident	68.3	Low	115 Å²	115	101 Å²	101	43%	0.434	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.4	172.2	73.2	175.6	-179	-177.6	1.9	110.5	W408 T419 Q420	W408-R444 VanDerWaalsContact CD1-CZ 3.46Å; W408-R444 HydrophobicContact CD2-CG 4.17Å; W408-R444 HydrophobicContact CE3-CG 3.85Å; W408-R444 HydrophobicContact CH2-CB 3.77Å; W408-R444 HydrophobicContact CH2-CG 3.68Å; W408-R444 HydrophobicContact CZ2-CB 4.33Å; W408-R444 HydrophobicContact CZ2-CG 4.02Å; W408-R444 HydrophobicContact CZ3-CB 4Å; W408-R444 HydrophobicContact CZ3-CG 3.6Å; T419-R444 CarbonylContact C-O 3.59Å; T419-R444 VanDerWaalsContact CA-O 3.24Å; T419-R444 WeakPolarHBondContact CA-O 3.37Å; Q420-R444 HydrophobicContact CB-CG 4.1Å; Q420-R444 PolarHBondContact N-O 3.03Å; Q420-R444 PolarHBondContact O-N 2.86Å; Q420-R444 VanDerWaalsContact OE1-CZ 3.26Å
445	E	73.3	Confident	68.1	Low	159 Å²	159	99.5 Å²	99.5	74%	0.743	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.7	169.8	-64.1	179.9	-173.1	0	0	111.2	G418	G418-E445 WeakPolarHBondContact O-CA 3.23Å
446	C	75.2	Confident	67.4	Low	18 Å²	18	97.7 Å²	97.7	12%	0.122	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.5	173.8	53.1	0	0	0	0	109.5	C411 N417 G418 T419 Q420	C411-C446 WeakPolarHBondContact CA-SG 3.32Å; C411-C446 HydrophobicContact CB-CB 3.9Å; C411-C446 WeakPolarHBondContact CB-SG 3.46Å; C411-C446 WeakPolarHBondContact SG-CB 3.48Å; C411-C446 CovalentContact SG-SG 2.03Å; C411-C446 PolarHBondContact SG-SG 3.19Å; N417-C446 CarbonylContact C-O 3.59Å; N417-C446 WeakPolarHBondContact CA-O 3.22Å; G418-C446 PolarHBondContact N-O 3.08Å; G418-C446 PolarHBondContact O-N 3.46Å; G418-C446 PolarHBondContact O-SG 3.32Å; T419-C446 PolarHBondContact N-SG 3.12Å; T419-C446 VanDerWaalsContact N-SG 3.36Å; Q420-C446 HydrophobicContact CG-CB 3.9Å
447	H	71.9	Confident	67.1	Low	122 Å²	122	99.7 Å²	99.7	57%	0.565	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	122	-178.8	177.6	86.7	0	0	0	110.3	A416 N417	A416-H447 WeakPolarHBondContact O-CA 3.47Å; N417-H447 PolarHBondContact OD1-ND1 3.44Å
448	N	62.6	Low	67.2	Low	68 Å²	68	90.7 Å²	90.7	36%	0.364	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	172.5	-86.6	9.5	0	0	0	109.6	T414 C415 A416	T414-N448 VanDerWaalsContact O-CB 3.28Å; T414-N448 WeakPolarHBondContact O-CB 3.06Å; T414-N448 PolarHBondContact O-ND2 2.86Å; C415-N448 CarbonylContact C-O 3.56Å; A416-N448 WeakPolarHBondContact CA-O 3.44Å; A416-N448 PolarHBondContact N-O 3.31Å; A416-N448 PolarHBondContact O-N 3.14Å; A416-N448 VanDerWaalsContact O-N 3.08Å
449	P	56.8	Low	67.5	Low	102 Å²	102	93.5 Å²	93.5	66%	0.662	50%	0.501	S	S	*	.			trans	-75.4	-31.5	-166.1	26.7	-34.6	0	0	0	116.1
450	D	55.9	Low	68.1	Low	140 Å²	140	89.7 Å²	89.7	75%	0.749	48%	0.48	S	S	*	.			trans	-110.2	108.4	-164.9	-73.6	-62.7	0	0	0	114.6	C415	C415-D450 VanDerWaalsContact CB-C 3.43Å; C415-D450 WeakPolarHBondContact CB-O 3.28Å
451	C	53.9	Low	68	Low	53 Å²	53	82.9 Å²	82.9	36%	0.358	46%	0.463	S	S	.	.			trans	-100.4	113.8	168.4	-74.5	0	0	0	0	112	C415	C415-C451 HydrophobicContact CB-CB 3.78Å; C415-C451 WeakPolarHBondContact CB-SG 3.35Å; C415-C451 WeakPolarHBondContact SG-CA 3.36Å; C415-C451 WeakPolarHBondContact SG-CB 3.38Å; C415-C451 CovalentContact SG-SG 2.03Å; C415-C451 PolarHBondContact SG-SG 2.66Å
452	T	53.8	Low	67.9	Low	138 Å²	138	87 Å²	87	85%	0.847	49%	0.486	S	S	*	.			trans	-79.9	128.4	160.3	38	0	0	0	0	110.4	N454	T452-N454 PolarHBondContact O-N 2.87Å
453	A	52.4	Low	68	Low	50 Å²	50	86.3 Å²	86.3	41%	0.413	48%	0.481	S	S	.	.			trans	-83.2	108	-171.9	0	0	0	0	0	112.6	V486 T487	A453-V486 HydrophobicContact CB-CG1 4.31Å; A453-T487 HydrophobicContact CB-CG2 4.42Å
454	N	57.5	Low	68.2	Low	115 Å²	115	85.5 Å²	85.5	62%	0.615	48%	0.475	S	S	*	.			trans	-149.3	131.4	156.5	-87.4	-54.5	0	0	0	108.6	T452 Q456	T452-N454 PolarHBondContact O-N 2.87Å; N454-Q456 VanDerWaalsContact C-N 3.34Å; N454-Q456 PolarHBondContact O-N 3.02Å
455	G	60.3	Low	68.2	Low	36 Å²	36	83 Å²	83	37%	0.371	49%	0.486	S	S	.	.			trans	-77.3	74.7	-174.1	0	0	0	0	0	113.1	Q482	G455-Q482 WeakPolarHBondContact CA-O 3.32Å
456	Q	66.3	Low	68.6	Low	124 Å²	124	77.3 Å²	77.3	58%	0.579	46%	0.463	S	S	*	.			trans	-129.6	150.7	-173.9	-63.8	-173.5	-0.2	0	0	112.6	N454 Q482 C491	N454-Q456 VanDerWaalsContact C-N 3.34Å; N454-Q456 PolarHBondContact O-N 3.02Å; Q456-Q482 WeakPolarHBondContact O-CB 3.17Å; Q456-Q482 PolarHBondContact O-N 3.07Å; Q456-C491 VanDerWaalsContact C-SG 3.52Å
457	W	73.7	Confident	68.7	Low	63 Å²	63	80.7 Å²	80.7	24%	0.239	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-74.1	137	170.5	-72.7	110.2	0	0	0	110.7	R479 C481 C491 D492 G493	W457-R479 HydrophobicContact CD2-CG 4.13Å; W457-R479 HydrophobicContact CE3-CB 4.26Å; W457-R479 HydrophobicContact CE3-CG 3.54Å; W457-R479 HydrophobicContact CZ3-CG 3.95Å; W457-C481 HydrophobicContact CD2-CB 4.38Å; W457-C481 HydrophobicContact CE3-CB 3.93Å; W457-C481 HydrophobicContact CH2-CB 4.01Å; W457-C481 HydrophobicContact CZ2-CB 4.43Å; W457-C481 HydrophobicContact CZ3-CB 3.75Å; W457-C481 VanDerWaalsContact CZ3-N 3.33Å; W457-C491 HydrophobicContact CD2-CB 3.9Å; W457-C491 HydrophobicContact CG-CB 4.13Å; W457-C491 HydrophobicContact CZ2-CB 3.72Å; W457-C491 VanDerWaalsContact NE1-CB 3.33Å; W457-D492 PolarHBondContact NE1-O 3.03Å; W457-G493 VanDerWaalsContact CZ2-O 3.29Å; W457-G493 WeakPolarHBondContact CZ2-O 3.43Å
458	N	73.2	Confident	68.7	Low	42 Å²	42	79.7 Å²	79.7	23%	0.225	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-68.3	164.3	163.4	75.5	-7.5	0	0	0	111.2	R479 V480	N458-R479 WeakPolarHBondContact OD1-CA 3Å; N458-R479 WeakPolarHBondContact OD1-CB 3.36Å; N458-V480 PolarHBondContact N-O 3.27Å; N458-V480 PolarHBondContact OD1-N 3.21Å; N458-V480 PolarHBondContact OD1-O 3.37Å
459	P	77.1	Confident	69	Low	116 Å²	116	81.4 Å²	81.4	75%	0.753	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-57.6	144.7	173.5	-24.7	35.4	0	0	0	111.8	G461	P459-G461 PolarHBondContact O-N 3.36Å
460	W	81.5	Confident	69.6	Low	73 Å²	73	77.8 Å²	77.8	28%	0.277	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-56.7	131.6	174.4	-79.5	114.9	0	0	0	111.9	R477 R479 G495 E497	W460-R477 HydrophobicContact CD2-CG 4.18Å; W460-R477 HydrophobicContact CE3-CB 4.36Å; W460-R477 HydrophobicContact CE3-CG 3.65Å; W460-R477 HydrophobicContact CZ3-CG 4.07Å; W460-R479 HydrophobicContact CD2-CB 4.12Å; W460-R479 HydrophobicContact CD2-CG 3.99Å; W460-R479 HydrophobicContact CE3-CB 3.73Å; W460-R479 HydrophobicContact CE3-CG 3.65Å; W460-R479 HydrophobicContact CH2-CG 3.73Å; W460-R479 HydrophobicContact CZ2-CG 4.07Å; W460-R479 HydrophobicContact CZ3-CB 4.06Å; W460-R479 HydrophobicContact CZ3-CG 3.53Å; W460-G495 WeakPolarHBondContact CZ3-O 3.41Å; W460-E497 HydrophobicContact CH2-CB 3.5Å; W460-E497 VanDerWaalsContact CH2-CB 3.5Å; W460-E497 HydrophobicContact CZ2-CB 3.92Å; W460-E497 WeakPolarHBondContact CZ2-OE2 3.39Å; W460-E497 HydrophobicContact CZ3-CB 3.83Å
461	G	76.4	Confident	70.3	Confident	27 Å²	27	75.2 Å²	75.2	28%	0.278	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-62.1	165.2	167.3	0	0	0	0	0	112.8	P459 R477 V478	P459-G461 PolarHBondContact O-N 3.36Å; G461-R477 WeakPolarHBondContact O-CB 3.4Å; G461-V478 PolarHBondContact N-O 2.9Å
462	P	72.9	Confident	71.2	Confident	124 Å²	124	74.1 Å²	74.1	81%	0.805	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-62.2	154.1	176.6	27.6	-35	0	0	0	111.7
463	W	80.6	Confident	72.4	Confident	60 Å²	60	68 Å²	68	23%	0.227	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-68.4	138.1	172.6	-71.3	104.9	0	0	0	111	Q475 R477 E497 R499	W463-Q475 HydrophobicContact CB-CB 4.46Å; W463-Q475 HydrophobicContact CD2-CB 4.47Å; W463-Q475 HydrophobicContact CE3-CB 3.8Å; W463-Q475 HydrophobicContact CZ3-CB 4.47Å; W463-Q475 VanDerWaalsContact CZ3-O 3.27Å; W463-Q475 WeakPolarHBondContact CZ3-O 3.37Å; W463-R477 HydrophobicContact CD2-CB 4.18Å; W463-R477 HydrophobicContact CD2-CG 4.04Å; W463-R477 VanDerWaalsContact CE2-CD 3.49Å; W463-R477 HydrophobicContact CE3-CB 3.93Å; W463-R477 HydrophobicContact CE3-CG 3.82Å; W463-R477 HydrophobicContact CH2-CG 3.8Å; W463-R477 HydrophobicContact CZ2-CG 4Å; W463-R477 VanDerWaalsContact CZ2-NE 3.27Å; W463-R477 HydrophobicContact CZ3-CB 4.23Å; W463-R477 HydrophobicContact CZ3-CG 3.69Å; W463-E497 HydrophobicContact CH2-CB 4.26Å; W463-E497 HydrophobicContact CH2-CG 3.82Å; W463-E497 WeakPolarHBondContact CH2-OE1 3.45Å; W463-E497 WeakPolarHBondContact CZ2-OE1 3.46Å; W463-E497 WeakPolarHBondContact CZ3-O 3.43Å; W463-R499 HydrophobicContact CD2-CG 4.23Å; W463-R499 HydrophobicContact CE3-CG 3.91Å; W463-R499 HydrophobicContact CH2-CB 3.7Å; W463-R499 HydrophobicContact CH2-CG 3.63Å; W463-R499 HydrophobicContact CZ2-CB 4.25Å; W463-R499 HydrophobicContact CZ2-CG 3.97Å; W463-R499 HydrophobicContact CZ3-CB 4.01Å; W463-R499 HydrophobicContact CZ3-CG 3.61Å
464	S	80	Confident	73.9	Confident	50 Å²	50	66.6 Å²	66.6	35%	0.35	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-60.7	165.2	170	73	0	0	0	0	112.3	Q475 R476	S464-Q475 VanDerWaalsContact O-CD 3.25Å; S464-Q475 WeakPolarHBondContact O-CG 3.36Å; S464-Q475 PolarHBondContact O-NE2 2.78Å; S464-Q475 WeakPolarHBondContact OG-CA 3.27Å; S464-R476 PolarHBondContact N-O 3.15Å; S464-R476 PolarHBondContact OG-N 3.28Å
465	G	77.3	Confident	75	Confident	64 Å²	64	62.8 Å²	62.8	66%	0.66	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-54	153.1	157.4	0	0	0	0	0	111.1
466	C	81.3	Confident	76.2	Confident	39 Å²	39	67.4 Å²	67.4	26%	0.264	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-70.3	134.6	176.6	-172.9	0	0	0	0	110.2	K468 Q475 C501 S502	C466-K468 PolarHBondContact O-N 3.11Å; C466-K468 PolarHBondContact SG-O 2.86Å; C466-Q475 HydrophobicContact CB-CG 4.13Å; C466-C501 VanDerWaalsContact CA-SG 3.57Å; C466-C501 HydrophobicContact CB-CB 3.79Å; C466-C501 WeakPolarHBondContact CB-SG 3.01Å; C466-C501 WeakPolarHBondContact SG-CB 3.28Å; C466-C501 CovalentContact SG-SG 2.02Å; C466-C501 PolarHBondContact SG-SG 3.19Å; C466-S502 PolarHBondContact SG-OG 3.42Å
467	S	77.7	Confident	76.9	Confident	88 Å²	88	64.3 Å²	64.3	62%	0.615	38%	0.381	S	S	*	.	S	Bend	trans	-71.8	-4	-177.2	57.2	0	0	0	0	115.5	G474	S467-G474 PolarHBondContact N-O 3.04Å; S467-G474 VanDerWaalsContact N-O 3.11Å; S467-G474 PolarHBondContact OG-N 2.89Å; S467-G474 PolarHBondContact OG-O 2.95Å; S467-G474 VanDerWaalsContact OG-O 3.08Å
468	K	71.2	Confident	77.4	Confident	102 Å²	102	64.8 Å²	64.8	44%	0.443	39%	0.391	S	S	.	.			trans	-145.2	156	167.6	-55	-174.6	-164.8	159.3	0	111.1	C466 C470 D471 G472 S502	C466-K468 PolarHBondContact O-N 3.11Å; C466-K468 PolarHBondContact SG-O 2.86Å; K468-C470 WeakPolarHBondContact CB-O 3.26Å; K468-C470 WeakPolarHBondContact CD-O 3.5Å; K468-D471 PolarHBondContact NZ-O 3.16Å; K468-G472 WeakPolarHBondContact CD-O 3.42Å; K468-G472 WeakPolarHBondContact CE-O 3.33Å; K468-G472 PolarHBondContact NZ-O 3.44Å; K468-S502 VanDerWaalsContact O-CB 3.28Å; K468-S502 WeakPolarHBondContact O-CB 3.24Å; K468-S502 PolarHBondContact O-OG 3.36Å
469	S	68.8	Low	77.5	Confident	103 Å²	103	65.2 Å²	65.2	72%	0.72	39%	0.389	S	S	*	.	S	Bend	trans	-80.8	-24.2	168	46.7	0	0	0	0	113.8	S502	S469-S502 WeakPolarHBondContact O-CB 3.26Å
470	C	69.5	Low	77.5	Confident	26 Å²	26	62 Å²	62	18%	0.176	37%	0.367	C	S	.	.	S	Bend	trans	-156.4	176.7	179.5	51.4	0	0	0	0	110.5	K468 G472 Q504 C506	K468-C470 WeakPolarHBondContact CB-O 3.26Å; K468-C470 WeakPolarHBondContact CD-O 3.5Å; C470-G472 VanDerWaalsContact C-N 3.27Å; C470-G472 PolarHBondContact O-N 2.8Å; C470-Q504 CarbonylContact C-O 3.18Å; C470-Q504 WeakPolarHBondContact CA-O 3.39Å; C470-Q504 WeakPolarHBondContact CB-O 3.4Å; C470-C506 HydrophobicContact CB-CB 4.02Å; C470-C506 WeakPolarHBondContact CB-SG 3.46Å; C470-C506 WeakPolarHBondContact SG-CA 3.49Å; C470-C506 WeakPolarHBondContact SG-CB 3.3Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 3.13Å
471	D	71.1	Confident	77	Confident	86 Å²	86	59.5 Å²	59.5	46%	0.46	36%	0.361	S	S	.	.	S	Bend	trans	57	31.8	-174.5	-72.5	-14.9	0	0	0	114.6	K468 Q504 R505 C506	K468-D471 PolarHBondContact NZ-O 3.16Å; D471-Q504 PolarHBondContact N-O 3.39Å; D471-R505 VanDerWaalsContact OD1-CA 3.28Å; D471-R505 WeakPolarHBondContact OD1-CA 3.44Å; D471-R505 WeakPolarHBondContact OD1-CG 3.35Å; D471-C506 VanDerWaalsContact CG-SG 3.51Å; D471-C506 PolarHBondContact OD1-N 3.01Å; D471-C506 WeakPolarHBondContact OD2-CB 3.27Å; D471-C506 PolarHBondContact OD2-SG 3.34Å
472	G	73	Confident	76.5	Confident	31 Å²	31	61.3 Å²	61.3	32%	0.32	36%	0.362	S	S	.	.			trans	71.2	104.7	173.6	0	0	0	0	0	113.7	K468 C470 S502	K468-G472 WeakPolarHBondContact CD-O 3.42Å; K468-G472 WeakPolarHBondContact CE-O 3.33Å; K468-G472 PolarHBondContact NZ-O 3.44Å; C470-G472 VanDerWaalsContact C-N 3.27Å; C470-G472 PolarHBondContact O-N 2.8Å; G472-S502 WeakPolarHBondContact CA-O 3.49Å; G472-S502 PolarHBondContact N-O 3.5Å
473	G	79.6	Confident	75.8	Confident	9 Å²	9	55.9 Å²	55.9	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	176.6	167.8	0	0	0	0	0	112.6	C501	G473-C501 PolarHBondContact N-O 3.36Å; G473-C501 PolarHBondContact O-N 3.38Å; G473-C501 PolarHBondContact O-SG 3.49Å
474	G	83.2	Confident	74.6	Confident	20 Å²	20	56.3 Å²	56.3	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.3	165.1	0	0	0	0	0	110.8	S467 R499	S467-G474 PolarHBondContact N-O 3.04Å; S467-G474 VanDerWaalsContact N-O 3.11Å; S467-G474 PolarHBondContact OG-N 2.89Å; S467-G474 PolarHBondContact OG-O 2.95Å; S467-G474 VanDerWaalsContact OG-O 3.08Å; G474-R499 CarbonylContact C-O 3.55Å; G474-R499 WeakPolarHBondContact CA-O 3.45Å
475	Q	81.3	Confident	73.3	Confident	35 Å²	35	58.7 Å²	58.7	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.5	157.5	-71.9	-178.4	-31.6	0	0	108.4	W463 S464 C466 V498 R499 C501	W463-Q475 HydrophobicContact CB-CB 4.46Å; W463-Q475 HydrophobicContact CD2-CB 4.47Å; W463-Q475 HydrophobicContact CE3-CB 3.8Å; W463-Q475 HydrophobicContact CZ3-CB 4.47Å; W463-Q475 VanDerWaalsContact CZ3-O 3.27Å; W463-Q475 WeakPolarHBondContact CZ3-O 3.37Å; S464-Q475 VanDerWaalsContact O-CD 3.25Å; S464-Q475 WeakPolarHBondContact O-CG 3.36Å; S464-Q475 PolarHBondContact O-NE2 2.78Å; S464-Q475 WeakPolarHBondContact OG-CA 3.27Å; C466-Q475 HydrophobicContact CB-CG 4.13Å; Q475-V498 CarbonylContact O-C 3.59Å; Q475-V498 VanDerWaalsContact O-CA 3.27Å; Q475-V498 WeakPolarHBondContact O-CA 3.16Å; Q475-R499 HydrophobicContact CB-CG 4.05Å; Q475-R499 PolarHBondContact N-O 2.67Å; Q475-R499 PolarHBondContact O-N 2.91Å; Q475-R499 VanDerWaalsContact OE1-CZ 3.23Å; Q475-C501 HydrophobicContact CG-CB 4.14Å
476	R	85	Confident	72	Confident	133 Å²	133	60.1 Å²	60.1	50%	0.502	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.5	178.1	173.7	179.7	-80.7	175.3	-18.6	110.2	S464 V478 E496 E497 V498	S464-R476 PolarHBondContact N-O 3.15Å; S464-R476 PolarHBondContact OG-N 3.28Å; R476-V478 HydrophobicContact CG-CG2 4.27Å; R476-E496 HydrophobicContact CG-CG 4.03Å; R476-E496 IonicContact CZ-OE1 3.62Å; R476-E496 IonicContact CZ-OE2 2.68Å; R476-E496 IonicContact NE-OE1 3.81Å; R476-E496 PolarHBondContact NE-OE1 2.68Å; R476-E496 IonicContact NE-OE2 3.69Å; R476-E496 PolarHBondContact NE-OE2 3.39Å; R476-E496 VanDerWaalsContact NH2-CD 3.28Å; R476-E496 IonicContact NH2-OE1 2.7Å; R476-E496 PolarHBondContact NH2-OE1 2.89Å; R476-E496 IonicContact NH2-OE2 3.63Å; R476-E496 PolarHBondContact NH2-OE2 3.06Å; R476-E496 VanDerWaalsContact NH2-OE2 3.09Å; R476-E497 WeakPolarHBondContact CA-O 3.44Å; R476-V498 HydrophobicContact CB-CG2 4.38Å
477	R	81.7	Confident	70.7	Confident	59 Å²	59	61.5 Å²	61.5	22%	0.223	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.5	159.9	65.3	178.8	-177.8	-174	-8.3	110.8	W460 G461 W463 E497	W460-R477 HydrophobicContact CD2-CG 4.18Å; W460-R477 HydrophobicContact CE3-CB 4.36Å; W460-R477 HydrophobicContact CE3-CG 3.65Å; W460-R477 HydrophobicContact CZ3-CG 4.07Å; G461-R477 WeakPolarHBondContact O-CB 3.4Å; W463-R477 HydrophobicContact CD2-CB 4.18Å; W463-R477 HydrophobicContact CD2-CG 4.04Å; W463-R477 VanDerWaalsContact CE2-CD 3.49Å; W463-R477 HydrophobicContact CE3-CB 3.93Å; W463-R477 HydrophobicContact CE3-CG 3.82Å; W463-R477 HydrophobicContact CH2-CG 3.8Å; W463-R477 HydrophobicContact CZ2-CG 4Å; W463-R477 VanDerWaalsContact CZ2-NE 3.27Å; W463-R477 HydrophobicContact CZ3-CB 4.23Å; W463-R477 HydrophobicContact CZ3-CG 3.69Å; R477-E497 HydrophobicContact CG-CB 3.99Å; R477-E497 IonicContact CZ-OE1 2.82Å; R477-E497 IonicContact CZ-OE2 3.25Å; R477-E497 PolarHBondContact N-O 3.49Å; R477-E497 IonicContact NE-OE1 2.7Å; R477-E497 IonicContact NE-OE2 2.86Å; R477-E497 PolarHBondContact NE-OE2 3.13Å; R477-E497 VanDerWaalsContact NH2-CD 3.29Å; R477-E497 IonicContact NH2-OE1 3.16Å; R477-E497 PolarHBondContact NH2-OE1 3.07Å; R477-E497 VanDerWaalsContact NH2-OE1 3.1Å; R477-E497 IonicContact NH2-OE2 2.69Å; R477-E497 PolarHBondContact NH2-OE2 3.47Å; R477-E497 PolarHBondContact O-N 3.04Å
478	V	82.6	Confident	69.7	Low	74 Å²	74	60.3 Å²	60.3	45%	0.448	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.2	-173.9	-178.3	0	0	0	0	109.9	G461 R476 G495 E496	G461-V478 PolarHBondContact N-O 2.9Å; R476-V478 HydrophobicContact CG-CG2 4.27Å; V478-G495 CarbonylContact C-O 3.52Å; V478-G495 WeakPolarHBondContact CA-O 3.06Å; V478-E496 HydrophobicContact CG2-CG 4.46Å
479	R	75.8	Confident	69	Low	50 Å²	50	62 Å²	62	19%	0.189	38%	0.375	C	S	.	.			trans	-139.7	159.2	169.7	63.6	177.6	-179.8	164	5.7	109.6	W457 N458 W460 N494 G495	W457-R479 HydrophobicContact CD2-CG 4.13Å; W457-R479 HydrophobicContact CE3-CB 4.26Å; W457-R479 HydrophobicContact CE3-CG 3.54Å; W457-R479 HydrophobicContact CZ3-CG 3.95Å; N458-R479 WeakPolarHBondContact OD1-CA 3Å; N458-R479 WeakPolarHBondContact OD1-CB 3.36Å; W460-R479 HydrophobicContact CD2-CB 4.12Å; W460-R479 HydrophobicContact CD2-CG 3.99Å; W460-R479 HydrophobicContact CE3-CB 3.73Å; W460-R479 HydrophobicContact CE3-CG 3.65Å; W460-R479 HydrophobicContact CH2-CG 3.73Å; W460-R479 HydrophobicContact CZ2-CG 4.07Å; W460-R479 HydrophobicContact CZ3-CB 4.06Å; W460-R479 HydrophobicContact CZ3-CG 3.53Å; R479-N494 VanDerWaalsContact CZ-O 3.28Å; R479-N494 PolarHBondContact NE-O 3.1Å; R479-N494 PolarHBondContact NH2-O 3.43Å; R479-G495 PolarHBondContact N-O 2.82Å
480	V	76.6	Confident	68.8	Low	48 Å²	48	65.5 Å²	65.5	29%	0.291	38%	0.38	S	S	.	.			trans	-125.4	137.4	-174.1	-175.9	0	0	0	0	110.1	S412 V413 N458	S412-V480 WeakPolarHBondContact O-CG2 3.46Å; V413-V480 HydrophobicContact CG1-CG1 4.27Å; N458-V480 PolarHBondContact N-O 3.27Å; N458-V480 PolarHBondContact OD1-N 3.21Å; N458-V480 PolarHBondContact OD1-O 3.37Å
481	C	71.5	Confident	68.7	Low	22 Å²	22	65.2 Å²	65.2	15%	0.149	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-83.7	121.5	178.1	175.2	0	0	0	0	109.7	W457 V484 C491	W457-C481 HydrophobicContact CD2-CB 4.38Å; W457-C481 HydrophobicContact CE3-CB 3.93Å; W457-C481 HydrophobicContact CH2-CB 4.01Å; W457-C481 HydrophobicContact CZ2-CB 4.43Å; W457-C481 HydrophobicContact CZ3-CB 3.75Å; W457-C481 VanDerWaalsContact CZ3-N 3.33Å; C481-V484 HydrophobicContact CB-CG2 3.9Å; C481-V484 WeakPolarHBondContact SG-CG2 3.33Å; C481-C491 VanDerWaalsContact CA-SG 3.58Å; C481-C491 HydrophobicContact CB-CB 3.69Å; C481-C491 WeakPolarHBondContact CB-SG 3.42Å; C481-C491 WeakPolarHBondContact SG-CB 2.68Å; C481-C491 PolarHBondContact SG-N 2.76Å; C481-C491 CovalentContact SG-SG 2.03Å; C481-C491 PolarHBondContact SG-SG 3.4Å
482	Q	65.4	Low	68.9	Low	64 Å²	64	68.6 Å²	68.6	30%	0.299	40%	0.396	S	S	.	.	S	Bend	trans	-79.8	146.4	176	-64	175.1	-48.2	0	0	110.3	T414 G455 Q456 V484	T414-Q482 PolarHBondContact OG1-NE2 3.4Å; G455-Q482 WeakPolarHBondContact CA-O 3.32Å; Q456-Q482 WeakPolarHBondContact O-CB 3.17Å; Q456-Q482 PolarHBondContact O-N 3.07Å; Q482-V484 PolarHBondContact O-N 3.34Å
483	G	59.5	Low	68.9	Low	11 Å²	11	69.2 Å²	69.2	11%	0.113	40%	0.402	C	S	.	.	S	Bend	trans	87.8	-8.8	170	0	0	0	0	0	118.1	A485 V486 T487	G483-A485 PolarHBondContact O-N 3.01Å; G483-A485 VanDerWaalsContact O-N 3.08Å; G483-V486 PolarHBondContact O-N 3.35Å; G483-T487 PolarHBondContact O-N 3.02Å
484	V	55.4	Low	68.8	Low	68 Å²	68	74.7 Å²	74.7	41%	0.412	43%	0.429	S	S	.	.	H	α-helix	trans	-50	-41.1	-176.1	-175.9	0	0	0	0	113.2	C481 Q482 V486 G488	C481-V484 HydrophobicContact CB-CG2 3.9Å; C481-V484 WeakPolarHBondContact SG-CG2 3.33Å; Q482-V484 PolarHBondContact O-N 3.34Å; V484-V486 VanDerWaalsContact C-N 3.26Å; V484-V486 PolarHBondContact O-N 3.46Å; V484-G488 PolarHBondContact O-N 2.89Å
485	A	51.5	Low	68.6	Low	100 Å²	100	74.8 Å²	74.8	83%	0.826	43%	0.431	S	S	*	.	H	α-helix	trans	-74.6	-7	-178.2	0	0	0	0	0	115.1	G483	G483-A485 PolarHBondContact O-N 3.01Å; G483-A485 VanDerWaalsContact O-N 3.08Å
486	V	50.2	Low	68.6	Low	95 Å²	95	77 Å²	77	58%	0.576	44%	0.441	S	S	*	.	H	α-helix	trans	-117.4	-38.8	-172.2	-175	0	0	0	0	112.5	A453 G483 V484	A453-V486 HydrophobicContact CB-CG1 4.31Å; G483-V486 PolarHBondContact O-N 3.35Å; V484-V486 VanDerWaalsContact C-N 3.26Å; V484-V486 PolarHBondContact O-N 3.46Å
487	T	54.3	Low	68.7	Low	68 Å²	68	73.7 Å²	73.7	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-109.8	-10	-178.5	60.5	0	0	0	0	114.3	A453 G483 Q489	A453-T487 HydrophobicContact CB-CG2 4.42Å; G483-T487 PolarHBondContact O-N 3.02Å; T487-Q489 PolarHBondContact O-N 3.1Å; T487-Q489 VanDerWaalsContact O-N 3.09Å
488	G	56.4	Low	69	Low	63 Å²	63	75 Å²	75	65%	0.649	45%	0.445	S	S	*	.			trans	68.7	-1.7	-177.2	0	0	0	0	0	115.2	V484	V484-G488 PolarHBondContact O-N 2.89Å
489	Q	57.5	Low	69.2	Low	136 Å²	136	76.9 Å²	76.9	64%	0.636	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-80.5	129.5	174	-71.6	-177.4	-32.7	0	0	110.4	T487	T487-Q489 PolarHBondContact O-N 3.1Å; T487-Q489 VanDerWaalsContact O-N 3.09Å
490	Q	63.1	Low	69.7	Low	178 Å²	178	82.7 Å²	82.7	83%	0.832	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-83.5	139.2	170.2	-65.6	176.9	-50.7	0	0	109.6
491	C	69.1	Low	69.9	Low	19 Å²	19	81.2 Å²	81.2	13%	0.128	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-70.7	138.6	169.1	-55.4	0	0	0	0	110.1	Q456 W457 C481	Q456-C491 VanDerWaalsContact C-SG 3.52Å; W457-C491 HydrophobicContact CD2-CB 3.9Å; W457-C491 HydrophobicContact CG-CB 4.13Å; W457-C491 HydrophobicContact CZ2-CB 3.72Å; W457-C491 VanDerWaalsContact NE1-CB 3.33Å; C481-C491 VanDerWaalsContact CA-SG 3.58Å; C481-C491 HydrophobicContact CB-CB 3.69Å; C481-C491 WeakPolarHBondContact CB-SG 3.42Å; C481-C491 WeakPolarHBondContact SG-CB 2.68Å; C481-C491 PolarHBondContact SG-N 2.76Å; C481-C491 CovalentContact SG-SG 2.03Å; C481-C491 PolarHBondContact SG-SG 3.4Å
492	D	73.6	Confident	69.9	Low	158 Å²	158	82 Å²	82	85%	0.845	47%	0.469	S	S	*	.	S	Bend	trans	-76.8	145.1	-177.2	-169.5	17.4	0	0	0	113.2	W457	W457-D492 PolarHBondContact NE1-O 3.03Å
493	G	73.3	Confident	70.4	Confident	44 Å²	44	85 Å²	85	45%	0.454	49%	0.487	S	S	.	.	S	Bend	trans	81.4	-175.3	-174.7	0	0	0	0	0	115.3	W457	W457-G493 VanDerWaalsContact CZ2-O 3.29Å; W457-G493 WeakPolarHBondContact CZ2-O 3.43Å
494	N	78.8	Confident	70.9	Confident	123 Å²	123	92 Å²	92	66%	0.658	52%	0.516	S	S	*	.			trans	-85.4	146.8	-170.6	-66	-3.5	0	0	0	113.5	R479 E496	R479-N494 VanDerWaalsContact CZ-O 3.28Å; R479-N494 PolarHBondContact NE-O 3.1Å; R479-N494 PolarHBondContact NH2-O 3.43Å; N494-E496 WeakPolarHBondContact CB-O 3.27Å
495	G	78.1	Confident	71.9	Confident	23 Å²	23	96.3 Å²	96.3	24%	0.237	53%	0.525	C	S	.	.	S	Bend	trans	-86.4	-14.5	168.8	0	0	0	0	0	114.7	W460 V478 R479	W460-G495 WeakPolarHBondContact CZ3-O 3.41Å; V478-G495 CarbonylContact C-O 3.52Å; V478-G495 WeakPolarHBondContact CA-O 3.06Å; R479-G495 PolarHBondContact N-O 2.82Å
496	E	82.2	Confident	72.9	Confident	80 Å²	80	93 Å²	93	37%	0.374	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.3	173.6	-173.9	-177	136.2	0	0	109.9	R476 V478 N494 V498	R476-E496 HydrophobicContact CG-CG 4.03Å; R476-E496 IonicContact CZ-OE1 3.62Å; R476-E496 IonicContact CZ-OE2 2.68Å; R476-E496 IonicContact NE-OE1 3.81Å; R476-E496 PolarHBondContact NE-OE1 2.68Å; R476-E496 IonicContact NE-OE2 3.69Å; R476-E496 PolarHBondContact NE-OE2 3.39Å; R476-E496 VanDerWaalsContact NH2-CD 3.28Å; R476-E496 IonicContact NH2-OE1 2.7Å; R476-E496 PolarHBondContact NH2-OE1 2.89Å; R476-E496 IonicContact NH2-OE2 3.63Å; R476-E496 PolarHBondContact NH2-OE2 3.06Å; R476-E496 VanDerWaalsContact NH2-OE2 3.09Å; V478-E496 HydrophobicContact CG2-CG 4.46Å; N494-E496 WeakPolarHBondContact CB-O 3.27Å; E496-V498 HydrophobicContact CG-CG2 4.37Å; E496-V498 VanDerWaalsContact OE1-CG2 3.29Å; E496-V498 WeakPolarHBondContact OE1-CG2 3.26Å
497	E	86.6	Confident	74.2	Confident	64 Å²	64	91.3 Å²	91.3	30%	0.299	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137	170.8	-169	-169.7	147.4	0	0	109.6	W460 W463 R476 R477	W460-E497 HydrophobicContact CH2-CB 3.5Å; W460-E497 VanDerWaalsContact CH2-CB 3.5Å; W460-E497 HydrophobicContact CZ2-CB 3.92Å; W460-E497 WeakPolarHBondContact CZ2-OE2 3.39Å; W460-E497 HydrophobicContact CZ3-CB 3.83Å; W463-E497 HydrophobicContact CH2-CB 4.26Å; W463-E497 HydrophobicContact CH2-CG 3.82Å; W463-E497 WeakPolarHBondContact CH2-OE1 3.45Å; W463-E497 WeakPolarHBondContact CZ2-OE1 3.46Å; W463-E497 WeakPolarHBondContact CZ3-O 3.43Å; R476-E497 WeakPolarHBondContact CA-O 3.44Å; R477-E497 HydrophobicContact CG-CB 3.99Å; R477-E497 IonicContact CZ-OE1 2.82Å; R477-E497 IonicContact CZ-OE2 3.25Å; R477-E497 PolarHBondContact N-O 3.49Å; R477-E497 IonicContact NE-OE1 2.7Å; R477-E497 IonicContact NE-OE2 2.86Å; R477-E497 PolarHBondContact NE-OE2 3.13Å; R477-E497 VanDerWaalsContact NH2-CD 3.29Å; R477-E497 IonicContact NH2-OE1 3.16Å; R477-E497 PolarHBondContact NH2-OE1 3.07Å; R477-E497 VanDerWaalsContact NH2-OE1 3.1Å; R477-E497 IonicContact NH2-OE2 2.69Å; R477-E497 PolarHBondContact NH2-OE2 3.47Å; R477-E497 PolarHBondContact O-N 3.04Å
498	V	88.2	Confident	75.2	Confident	86 Å²	86	88.9 Å²	88.9	52%	0.521	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125	177.8	-179.9	0	0	0	0	108.9	Q475 R476 E496	Q475-V498 CarbonylContact O-C 3.59Å; Q475-V498 VanDerWaalsContact O-CA 3.27Å; Q475-V498 WeakPolarHBondContact O-CA 3.16Å; R476-V498 HydrophobicContact CB-CG2 4.38Å; E496-V498 HydrophobicContact CG-CG2 4.37Å; E496-V498 VanDerWaalsContact OE1-CG2 3.29Å; E496-V498 WeakPolarHBondContact OE1-CG2 3.26Å
499	R	87.1	Confident	76.3	Confident	114 Å²	114	91.7 Å²	91.7	43%	0.43	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.3	172.6	72.6	178.1	179.6	-177.4	1.1	111.1	W463 G474 Q475	W463-R499 HydrophobicContact CD2-CG 4.23Å; W463-R499 HydrophobicContact CE3-CG 3.91Å; W463-R499 HydrophobicContact CH2-CB 3.7Å; W463-R499 HydrophobicContact CH2-CG 3.63Å; W463-R499 HydrophobicContact CZ2-CB 4.25Å; W463-R499 HydrophobicContact CZ2-CG 3.97Å; W463-R499 HydrophobicContact CZ3-CB 4.01Å; W463-R499 HydrophobicContact CZ3-CG 3.61Å; G474-R499 CarbonylContact C-O 3.55Å; G474-R499 WeakPolarHBondContact CA-O 3.45Å; Q475-R499 HydrophobicContact CB-CG 4.05Å; Q475-R499 PolarHBondContact N-O 2.67Å; Q475-R499 PolarHBondContact O-N 2.91Å; Q475-R499 VanDerWaalsContact OE1-CZ 3.23Å
500	K	85.9	Confident	77.4	Confident	173 Å²	173	91.1 Å²	91.1	75%	0.752	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	154.6	171.4	-65.8	-175	179.2	-177.4	0	111.2
501	C	80.4	Confident	78.3	Confident	16 Å²	16	84 Å²	84	11%	0.108	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162.5	175.4	53.9	0	0	0	0	109.7	C466 G473 Q475	C466-C501 VanDerWaalsContact CA-SG 3.57Å; C466-C501 HydrophobicContact CB-CB 3.79Å; C466-C501 WeakPolarHBondContact CB-SG 3.01Å; C466-C501 WeakPolarHBondContact SG-CB 3.28Å; C466-C501 CovalentContact SG-SG 2.02Å; C466-C501 PolarHBondContact SG-SG 3.19Å; G473-C501 PolarHBondContact N-O 3.36Å; G473-C501 PolarHBondContact O-N 3.38Å; G473-C501 PolarHBondContact O-SG 3.49Å; Q475-C501 HydrophobicContact CG-CB 4.14Å
502	S	71.7	Confident	79	Confident	39 Å²	39	85.8 Å²	85.8	27%	0.273	45%	0.448	S	S	.	.			trans	55.9	52.4	177.3	-53.7	0	0	0	0	114	C466 K468 S469 G472 Q504	C466-S502 PolarHBondContact SG-OG 3.42Å; K468-S502 VanDerWaalsContact O-CB 3.28Å; K468-S502 WeakPolarHBondContact O-CB 3.24Å; K468-S502 PolarHBondContact O-OG 3.36Å; S469-S502 WeakPolarHBondContact O-CB 3.26Å; G472-S502 WeakPolarHBondContact CA-O 3.49Å; G472-S502 PolarHBondContact N-O 3.5Å; S502-Q504 PolarHBondContact O-N 3.49Å
503	D	75.6	Confident	79.7	Confident	127 Å²	127	78.2 Å²	78.2	68%	0.679	41%	0.407	S	S	*	.			trans	-71.5	-1.2	178.5	-55.9	-75.3	0	0	0	114
504	Q	70.6	Confident	80.4	Confident	157 Å²	157	79.9 Å²	79.9	73%	0.734	41%	0.41	S	S	*	.	S	Bend	trans	-67.2	135.2	169.3	-71	-177.3	-18.5	0	0	110.4	C470 D471 S502	C470-Q504 CarbonylContact C-O 3.18Å; C470-Q504 WeakPolarHBondContact CA-O 3.39Å; C470-Q504 WeakPolarHBondContact CB-O 3.4Å; D471-Q504 PolarHBondContact N-O 3.39Å; S502-Q504 PolarHBondContact O-N 3.49Å
505	R	75.4	Confident	81	Confident	159 Å²	159	78.1 Å²	78.1	60%	0.6	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-75.3	137.7	177.8	179.7	179.5	163	-151	-18.2	111.2	D471 E511	D471-R505 VanDerWaalsContact OD1-CA 3.28Å; D471-R505 WeakPolarHBondContact OD1-CA 3.44Å; D471-R505 WeakPolarHBondContact OD1-CG 3.35Å; R505-E511 IonicContact CZ-OE1 2.74Å; R505-E511 IonicContact CZ-OE2 2.69Å; R505-E511 IonicContact NH1-OE1 3.35Å; R505-E511 IonicContact NH2-OE1 3.14Å; R505-E511 PolarHBondContact NH2-OE1 3.4Å; R505-E511 IonicContact NH2-OE2 3.13Å; R505-E511 PolarHBondContact NH2-OE2 3.23Å
506	C	73.3	Confident	81.6	Confident	31 Å²	31	79.4 Å²	79.4	21%	0.209	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74.4	143.4	170.6	-56.9	0	0	0	0	110.7	C470 D471 A508	C470-C506 HydrophobicContact CB-CB 4.02Å; C470-C506 WeakPolarHBondContact CB-SG 3.46Å; C470-C506 WeakPolarHBondContact SG-CA 3.49Å; C470-C506 WeakPolarHBondContact SG-CB 3.3Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 3.13Å; D471-C506 VanDerWaalsContact CG-SG 3.51Å; D471-C506 PolarHBondContact OD1-N 3.01Å; D471-C506 WeakPolarHBondContact OD2-CB 3.27Å; D471-C506 PolarHBondContact OD2-SG 3.34Å; C506-A508 PolarHBondContact O-N 2.89Å
507	P	77.5	Confident	82	Confident	60 Å²	60	82.5 Å²	82.5	39%	0.39	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.2	127.1	165.7	-22.4	33.8	0	0	0	110.2	E511 I512 P527	P507-E511 HydrophobicContact CB-CB 4.28Å; P507-I512 HydrophobicContact CB-CD1 4.28Å; P507-I512 HydrophobicContact CB-CG1 3.94Å; P507-P527 HydrophobicContact CB-CB 4.05Å; P507-P527 HydrophobicContact CG-CB 3.82Å
508	A	75.9	Confident	81.8	Confident	17 Å²	17	80.7 Å²	80.7	14%	0.14	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-66.9	160.5	176.6	0	0	0	0	0	111	C506 Y510 E511 I512	C506-A508 PolarHBondContact O-N 2.89Å; A508-Y510 HydrophobicContact CB-CD1 3.85Å; A508-Y510 HydrophobicContact CB-CE1 3.34Å; A508-Y510 HydrophobicContact CB-CE2 4.27Å; A508-Y510 HydrophobicContact CB-CG 4.47Å; A508-Y510 PolarHBondContact O-N 3.47Å; A508-E511 HydrophobicContact CB-CB 4.48Å; A508-E511 HydrophobicContact CB-CG 4.21Å; A508-E511 WeakPolarHBondContact CB-OE2 3.23Å; A508-E511 PolarHBondContact N-OE2 3.33Å; A508-E511 WeakPolarHBondContact O-CA 3.32Å; A508-E511 WeakPolarHBondContact O-CB 3.2Å; A508-E511 PolarHBondContact O-N 3.12Å; A508-I512 PolarHBondContact O-N 2.03Å
509	P	78.4	Confident	81.6	Confident	122 Å²	122	81.8 Å²	81.8	79%	0.792	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.2	-179	-27.4	36.3	0	0	0	115.2
510	Y	80.3	Confident	81.5	Confident	124 Å²	124	82.4 Å²	82.4	49%	0.486	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.3	174	64.4	-96.1	0	0	0	113.4	A508 G554 A556	A508-Y510 HydrophobicContact CB-CD1 3.85Å; A508-Y510 HydrophobicContact CB-CE1 3.34Å; A508-Y510 HydrophobicContact CB-CE2 4.27Å; A508-Y510 HydrophobicContact CB-CG 4.47Å; A508-Y510 PolarHBondContact O-N 3.47Å; Y510-G554 WeakPolarHBondContact CD2-O 3.42Å; Y510-A556 WeakPolarHBondContact O-CB 3.37Å; Y510-A556 PolarHBondContact O-N 3.31Å
511	E	83.1	Confident	81.5	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.126	40%	0.396	C	S	.	.	S	Bend	trans	-95.4	8.5	173	-65.7	159.9	-179.3	0	0	111.1	R505 P507 A508 S528 L550 A556	R505-E511 IonicContact CZ-OE1 2.74Å; R505-E511 IonicContact CZ-OE2 2.69Å; R505-E511 IonicContact NH1-OE1 3.35Å; R505-E511 IonicContact NH2-OE1 3.14Å; R505-E511 PolarHBondContact NH2-OE1 3.4Å; R505-E511 IonicContact NH2-OE2 3.13Å; R505-E511 PolarHBondContact NH2-OE2 3.23Å; P507-E511 HydrophobicContact CB-CB 4.28Å; A508-E511 HydrophobicContact CB-CB 4.48Å; A508-E511 HydrophobicContact CB-CG 4.21Å; A508-E511 WeakPolarHBondContact CB-OE2 3.23Å; A508-E511 PolarHBondContact N-OE2 3.33Å; A508-E511 WeakPolarHBondContact O-CA 3.32Å; A508-E511 WeakPolarHBondContact O-CB 3.2Å; A508-E511 PolarHBondContact O-N 3.12Å; E511-S528 WeakPolarHBondContact O-CB 3.35Å; E511-S528 PolarHBondContact O-N 3.44Å; E511-S528 PolarHBondContact O-OG 3.39Å; E511-L550 HydrophobicContact CB-CD2 4.28Å; E511-L550 HydrophobicContact CG-CD2 4.25Å; E511-A556 VanDerWaalsContact C-CB 3.45Å
512	I	84	Confident	81.8	Confident	57 Å²	57	77.7 Å²	77.7	29%	0.292	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.2	178.6	-62.2	166.5	0	0	0	109.5	P507 A508 R525 P527	P507-I512 HydrophobicContact CB-CD1 4.28Å; P507-I512 HydrophobicContact CB-CG1 3.94Å; A508-I512 PolarHBondContact O-N 2.03Å; I512-R525 HydrophobicContact CG2-CB 4.31Å; I512-P527 HydrophobicContact CG1-CB 4.25Å
513	C	87.1	Confident	82.5	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.7	174.2	-68.3	0	0	0	0	110.6	R525 T526 C548 Y557 W558	C513-R525 VanDerWaalsContact O-CA 3.28Å; C513-R525 WeakPolarHBondContact O-CA 3.35Å; C513-T526 PolarHBondContact N-O 3.34Å; C513-T526 PolarHBondContact O-N 3.49Å; C513-C548 HydrophobicContact CB-CB 3.84Å; C513-C548 WeakPolarHBondContact CB-SG 3.32Å; C513-C548 PolarHBondContact N-SG 2.87Å; C513-C548 WeakPolarHBondContact SG-CA 3.4Å; C513-C548 WeakPolarHBondContact SG-CB 3.3Å; C513-C548 CovalentContact SG-SG 2.03Å; C513-C548 PolarHBondContact SG-SG 3.4Å; C513-Y557 PolarHBondContact SG-O 3.37Å; C513-W558 HydrophobicContact CB-CD2 3.78Å; C513-W558 HydrophobicContact CB-CE3 4.29Å; C513-W558 HydrophobicContact CB-CG 4.18Å; C513-W558 HydrophobicContact CB-CH2 4.35Å; C513-W558 HydrophobicContact CB-CZ2 3.83Å
514	P	87.6	Confident	82.9	Confident	79 Å²	79	78.8 Å²	78.8	51%	0.513	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-69.9	170	178.9	31.1	-36.5	0	0	0	111.8	W558	P514-W558 PolarHBondContact O-NE1 3.02Å
515	E	92.4	Very high	83.6	Confident	85 Å²	85	80.5 Å²	80.5	40%	0.397	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-68.6	133.5	168.8	-171.1	166.2	128.7	0	0	110.1	Y517 V522 W523 R525	E515-Y517 HydrophobicContact CG-CE1 4.27Å; E515-Y517 WeakPolarHBondContact OE1-CE1 3.47Å; E515-Y517 PolarHBondContact OE1-OH 2.97Å; E515-V522 HydrophobicContact CG-CG1 4.04Å; E515-W523 VanDerWaalsContact CA-O 3.28Å; E515-W523 WeakPolarHBondContact CA-O 3.48Å; E515-R525 HydrophobicContact CB-CG 4.32Å
516	D	90.6	Very high	84	Confident	51 Å²	51	73.5 Å²	73.5	27%	0.273	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-136.8	152.4	-177.5	179.8	23.2	0	0	0	110.7	A518 W523 R546	D516-A518 PolarHBondContact OD1-N 2.88Å; D516-A518 WeakPolarHBondContact OD2-CB 3.33Å; D516-W523 HydrophobicContact CB-CB 4.4Å; D516-W523 PolarHBondContact N-O 3.48Å; D516-W523 VanDerWaalsContact N-O 3.08Å; D516-W523 WeakPolarHBondContact O-CB 3.4Å; D516-W523 PolarHBondContact O-N 2.93Å; D516-R546 IonicContact OD2-CZ 2.73Å; D516-R546 IonicContact OD2-NH1 3.57Å; D516-R546 PolarHBondContact OD2-NH1 3.13Å; D516-R546 IonicContact OD2-NH2 3.54Å; D516-R546 PolarHBondContact OD2-NH2 3.41Å
517	Y	90.1	Very high	84.4	Confident	144 Å²	144	73.3 Å²	73.3	57%	0.565	37%	0.373	S	S	*	.			trans	-113.4	15	-173.6	-56.8	-67.3	0	0	0	113.5	E515 M519 S520 M521 V522	E515-Y517 HydrophobicContact CG-CE1 4.27Å; E515-Y517 WeakPolarHBondContact OE1-CE1 3.47Å; E515-Y517 PolarHBondContact OE1-OH 2.97Å; Y517-M519 PolarHBondContact O-N 3.48Å; Y517-S520 PolarHBondContact O-N 2.8Å; Y517-M521 CarbonylContact C-O 3.56Å; Y517-M521 VanDerWaalsContact CA-O 3.3Å; Y517-M521 WeakPolarHBondContact CA-O 3.24Å; Y517-V522 HydrophobicContact CD1-CB 4.44Å; Y517-V522 HydrophobicContact CD1-CG1 4.35Å; Y517-V522 HydrophobicContact CD1-CG2 3.97Å; Y517-V522 HydrophobicContact CE1-CB 4.4Å; Y517-V522 HydrophobicContact CE1-CG1 3.9Å; Y517-V522 HydrophobicContact CE1-CG2 3.99Å
518	A	83.3	Confident	84.9	Confident	26 Å²	26	72.3 Å²	72.3	22%	0.215	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-48.1	129.3	-178.7	0	0	0	0	0	113.6	D516 S520 M521 W523	D516-A518 PolarHBondContact OD1-N 2.88Å; D516-A518 WeakPolarHBondContact OD2-CB 3.33Å; A518-S520 VanDerWaalsContact C-N 3.28Å; A518-S520 PolarHBondContact O-N 2.86Å; A518-M521 PolarHBondContact O-N 2.73Å; A518-W523 PolarHBondContact O-NE1 3.17Å
519	M	83.9	Confident	85.2	Confident	109 Å²	109	73.8 Å²	73.8	54%	0.537	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	57	35.5	-177.5	-63.3	178.6	-72.6	0	0	114.1	Y517 M521 P561 Y563	Y517-M519 PolarHBondContact O-N 3.48Å; M519-M521 PolarHBondContact O-N 2.7Å; M519-P561 HydrophobicContact CE-CB 3.81Å; M519-P561 HydrophobicContact CE-CG 3.45Å; M519-P561 VanDerWaalsContact CE-CG 3.45Å; M519-Y563 HydrophobicContact CE-CE2 3.83Å; M519-Y563 VanDerWaalsContact CE-OH 3.26Å; M519-Y563 WeakPolarHBondContact CE-OH 3.47Å; M519-Y563 HydrophobicContact SD-CE2 4.26Å; M519-Y563 PolarHBondContact SD-OH 2.76Å; M519-Y563 VanDerWaalsContact SD-OH 3.34Å
520	S	84.3	Confident	85.5	Confident	127 Å²	127	73.4 Å²	73.4	89%	0.888	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	61.7	25.6	178.2	-53.1	0	0	0	0	114	Y517 A518	Y517-S520 PolarHBondContact O-N 2.8Å; A518-S520 VanDerWaalsContact C-N 3.28Å; A518-S520 PolarHBondContact O-N 2.86Å
521	M	85.3	Confident	86	Confident	22 Å²	22	70.5 Å²	70.5	11%	0.108	37%	0.365	C	S	.	.			trans	-116.6	138.1	176.3	-63.9	-179.3	-177.7	0	0	109.6	Y517 A518 M519 W523 N534 R535 P537 T544	Y517-M521 CarbonylContact C-O 3.56Å; Y517-M521 VanDerWaalsContact CA-O 3.3Å; Y517-M521 WeakPolarHBondContact CA-O 3.24Å; A518-M521 PolarHBondContact O-N 2.73Å; M519-M521 PolarHBondContact O-N 2.7Å; M521-W523 HydrophobicContact CB-CZ2 4.11Å; M521-W523 PolarHBondContact O-N 2.86Å; M521-W523 PolarHBondContact O-NE1 2.69Å; M521-W523 HydrophobicContact SD-CH2 4.43Å; M521-W523 HydrophobicContact SD-CZ2 3.83Å; M521-N534 HydrophobicContact CB-CB 4.41Å; M521-N534 HydrophobicContact SD-CB 3.99Å; M521-R535 WeakPolarHBondContact CE-O 3.38Å; M521-P537 HydrophobicContact CE-CG 3.88Å; M521-T544 HydrophobicContact CE-CG2 4.17Å; M521-T544 HydrophobicContact SD-CG2 4.24Å; M521-T544 PolarHBondContact SD-OG1 2.61Å
522	V	86.6	Confident	86	Confident	68 Å²	68	69.7 Å²	69.7	41%	0.412	36%	0.362	S	S	.	.			trans	-84.1	107.8	177.7	-174.5	0	0	0	0	109.8	E515 Y517 R524 N534	E515-V522 HydrophobicContact CG-CG1 4.04Å; Y517-V522 HydrophobicContact CD1-CB 4.44Å; Y517-V522 HydrophobicContact CD1-CG1 4.35Å; Y517-V522 HydrophobicContact CD1-CG2 3.97Å; Y517-V522 HydrophobicContact CE1-CB 4.4Å; Y517-V522 HydrophobicContact CE1-CG1 3.9Å; Y517-V522 HydrophobicContact CE1-CG2 3.99Å; V522-R524 PolarHBondContact O-N 3.08Å; V522-N534 PolarHBondContact O-ND2 3.35Å
523	W	87.8	Confident	86.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-92	96.5	174.7	-58.5	97	0	0	0	108.7	E515 D516 A518 M521 A532 N534 R546 W558 P561	E515-W523 VanDerWaalsContact CA-O 3.28Å; E515-W523 WeakPolarHBondContact CA-O 3.48Å; D516-W523 HydrophobicContact CB-CB 4.4Å; D516-W523 PolarHBondContact N-O 3.48Å; D516-W523 VanDerWaalsContact N-O 3.08Å; D516-W523 WeakPolarHBondContact O-CB 3.4Å; D516-W523 PolarHBondContact O-N 2.93Å; A518-W523 PolarHBondContact O-NE1 3.17Å; M521-W523 HydrophobicContact CB-CZ2 4.11Å; M521-W523 PolarHBondContact O-N 2.86Å; M521-W523 PolarHBondContact O-NE1 2.69Å; M521-W523 HydrophobicContact SD-CH2 4.43Å; M521-W523 HydrophobicContact SD-CZ2 3.83Å; W523-A532 HydrophobicContact CE3-CB 3.87Å; W523-A532 HydrophobicContact CZ3-CB 4.4Å; W523-N534 HydrophobicContact CH2-CB 4.01Å; W523-N534 HydrophobicContact CZ2-CB 4.46Å; W523-N534 HydrophobicContact CZ3-CB 4.17Å; W523-R546 HydrophobicContact CD2-CB 4.12Å; W523-R546 HydrophobicContact CE3-CB 3.51Å; W523-R546 HydrophobicContact CE3-CG 4.41Å; W523-R546 VanDerWaalsContact CG-NH1 3.29Å; W523-R546 HydrophobicContact CH2-CB 3.93Å; W523-R546 HydrophobicContact CZ2-CB 4.5Å; W523-R546 HydrophobicContact CZ3-CB 3.41Å; W523-R546 VanDerWaalsContact CZ3-CB 3.41Å; W523-W558 HydrophobicContact CB-CH2 4.46Å; W523-W558 HydrophobicContact CB-CZ2 3.94Å; W523-P561 HydrophobicContact CH2-CB 4.04Å; W523-P561 HydrophobicContact CH2-CG 4.45Å; W523-P561 HydrophobicContact CZ2-CB 3.77Å; W523-P561 HydrophobicContact CZ2-CG 3.82Å
524	R	82.9	Confident	86.2	Confident	190 Å²	190	74.2 Å²	74.2	72%	0.717	38%	0.382	S	S	*	.			trans	-60.2	153.4	-178.3	-64	-178.3	-178.3	177.7	0.1	111.8	V522 T526 W558	V522-R524 PolarHBondContact O-N 3.08Å; R524-T526 PolarHBondContact O-N 2.96Å; R524-T526 PolarHBondContact O-OG1 2.92Å; R524-W558 WeakPolarHBondContact O-CZ2 3.29Å
525	R	85	Confident	86.2	Confident	193 Å²	193	80.7 Å²	80.7	73%	0.728	40%	0.396	S	S	*	.			trans	-48.8	127.8	172.2	-63.2	-176.9	-176.1	-167.8	-0.3	110.8	I512 C513 E515	I512-R525 HydrophobicContact CG2-CB 4.31Å; C513-R525 VanDerWaalsContact O-CA 3.28Å; C513-R525 WeakPolarHBondContact O-CA 3.35Å; E515-R525 HydrophobicContact CB-CG 4.32Å
526	T	84.4	Confident	86.1	Confident	11 Å²	11	77.3 Å²	77.3	7%	0.067	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.6	-170.7	-61.2	0	0	0	0	108.9	C513 R524 E530 C548 W558	C513-T526 PolarHBondContact N-O 3.34Å; C513-T526 PolarHBondContact O-N 3.49Å; R524-T526 PolarHBondContact O-N 2.96Å; R524-T526 PolarHBondContact O-OG1 2.92Å; T526-E530 HydrophobicContact CG2-CB 3.61Å; T526-C548 HydrophobicContact CG2-CB 4.19Å; T526-C548 PolarHBondContact O-SG 3.09Å; T526-W558 HydrophobicContact CG2-CH2 4.24Å; T526-W558 WeakPolarHBondContact OG1-CH2 3.44Å
527	P	82.4	Confident	86	Confident	28 Å²	28	76.1 Å²	76.1	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	156.4	178.8	32.2	-36.3	0	0	0	111.8	P507 I512 G529 E530 C548	P507-P527 HydrophobicContact CB-CB 4.05Å; P507-P527 HydrophobicContact CG-CB 3.82Å; I512-P527 HydrophobicContact CG1-CB 4.25Å; P527-G529 PolarHBondContact O-N 2.03Å; P527-E530 WeakPolarHBondContact CD-OE2 3.36Å; P527-E530 HydrophobicContact CG-CB 4.21Å; P527-E530 HydrophobicContact CG-CG 3.93Å; P527-E530 WeakPolarHBondContact CG-OE1 3.06Å; P527-E530 WeakPolarHBondContact CG-OE2 3.38Å; P527-E530 PolarHBondContact O-N 3.42Å; P527-C548 WeakPolarHBondContact O-CB 3.44Å
528	S	87.5	Confident	85.9	Confident	38 Å²	38	75.6 Å²	75.6	27%	0.266	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	135	178.4	64.2	0	0	0	0	112.6	E511	E511-S528 WeakPolarHBondContact O-CB 3.35Å; E511-S528 PolarHBondContact O-N 3.44Å; E511-S528 PolarHBondContact O-OG 3.39Å
529	G	83.3	Confident	86.3	Confident	49 Å²	49	78 Å²	78	51%	0.505	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	-25.5	-174.5	0	0	0	0	0	113.5	P527 R547 C548	P527-G529 PolarHBondContact O-N 2.03Å; G529-R547 PolarHBondContact O-NH1 3.41Å; G529-C548 PolarHBondContact N-O 3.08Å
530	E	84.8	Confident	86.7	Confident	113 Å²	113	73.2 Å²	73.2	53%	0.528	38%	0.379	S	S	.	.			trans	-85.9	169.4	-180	-73.2	-175.3	-159.9	0	0	113.8	T526 P527 C548	T526-E530 HydrophobicContact CG2-CB 3.61Å; P527-E530 WeakPolarHBondContact CD-OE2 3.36Å; P527-E530 HydrophobicContact CG-CB 4.21Å; P527-E530 HydrophobicContact CG-CG 3.93Å; P527-E530 WeakPolarHBondContact CG-OE1 3.06Å; P527-E530 WeakPolarHBondContact CG-OE2 3.38Å; P527-E530 PolarHBondContact O-N 3.42Å; E530-C548 PolarHBondContact O-N 3.31Å; E530-C548 VanDerWaalsContact O-N 3.15Å
531	L	88.9	Confident	87	Confident	64 Å²	64	69 Å²	69	34%	0.335	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	178.2	-70.4	169.3	0	0	0	110	F533 R546 R547	L531-F533 HydrophobicContact CB-CE1 4.35Å; L531-F533 HydrophobicContact CB-CE2 3.73Å; L531-F533 HydrophobicContact CB-CZ 3.63Å; L531-F533 HydrophobicContact CD1-CE1 4.46Å; L531-F533 HydrophobicContact CD1-CZ 3.91Å; L531-F533 HydrophobicContact CG-CZ 4.42Å; L531-F533 WeakPolarHBondContact O-CD2 3.47Å; L531-F533 VanDerWaalsContact O-CE2 3.29Å; L531-F533 WeakPolarHBondContact O-CE2 3.43Å; L531-R546 CarbonylContact C-O 3.6Å; L531-R546 WeakPolarHBondContact CA-O 3.39Å; L531-R547 HydrophobicContact CD2-CB 3.8Å
532	A	83.1	Confident	87.1	Confident	10 Å²	10	70 Å²	70	8%	0.083	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	149.4	160.1	0	0	0	0	0	110	W523 S545 R546 W558	W523-A532 HydrophobicContact CE3-CB 3.87Å; W523-A532 HydrophobicContact CZ3-CB 4.4Å; A532-S545 CarbonylContact O-C 3.57Å; A532-S545 VanDerWaalsContact O-CA 3.23Å; A532-S545 WeakPolarHBondContact O-CA 3.45Å; A532-R546 PolarHBondContact N-O 3.27Å; A532-R546 PolarHBondContact O-N 2.73Å; A532-W558 HydrophobicContact CB-CH2 3.6Å; A532-W558 HydrophobicContact CB-CZ3 4.1Å
533	F	89.5	Confident	87.4	Confident	110 Å²	110	69.5 Å²	69.5	48%	0.482	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.1	179.5	-63.9	-82.7	0	0	0	111.5	L531 T544	L531-F533 HydrophobicContact CB-CE1 4.35Å; L531-F533 HydrophobicContact CB-CE2 3.73Å; L531-F533 HydrophobicContact CB-CZ 3.63Å; L531-F533 HydrophobicContact CD1-CE1 4.46Å; L531-F533 HydrophobicContact CD1-CZ 3.91Å; L531-F533 HydrophobicContact CG-CZ 4.42Å; L531-F533 WeakPolarHBondContact O-CD2 3.47Å; L531-F533 VanDerWaalsContact O-CE2 3.29Å; L531-F533 WeakPolarHBondContact O-CE2 3.43Å; F533-T544 WeakPolarHBondContact CA-O 3.45Å
534	N	86.3	Confident	87.5	Confident	42 Å²	42	69.5 Å²	69.5	23%	0.225	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	173.6	172.6	-94.9	-61.8	0	0	0	110.3	M521 V522 W523 T543 T544	M521-N534 HydrophobicContact CB-CB 4.41Å; M521-N534 HydrophobicContact SD-CB 3.99Å; V522-N534 PolarHBondContact O-ND2 3.35Å; W523-N534 HydrophobicContact CH2-CB 4.01Å; W523-N534 HydrophobicContact CZ2-CB 4.46Å; W523-N534 HydrophobicContact CZ3-CB 4.17Å; N534-T543 CarbonylContact O-C 3.46Å; N534-T543 VanDerWaalsContact O-CA 3.24Å; N534-T543 WeakPolarHBondContact O-CA 3.43Å; N534-T543 WeakPolarHBondContact O-CB 3.43Å; N534-T544 VanDerWaalsContact CB-OG1 3.23Å; N534-T544 WeakPolarHBondContact CB-OG1 3.34Å; N534-T544 PolarHBondContact N-O 3.43Å; N534-T544 PolarHBondContact O-N 2.85Å; N534-T544 PolarHBondContact O-OG1 2.84Å
535	R	87.9	Confident	88	Confident	214 Å²	214	61.3 Å²	61.3	81%	0.808	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	151	171.1	-65.2	-177.7	-179.3	179.7	-0	109.9	M521	M521-R535 WeakPolarHBondContact CE-O 3.38Å
536	C	90.1	Very high	88.4	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.101	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-60.8	158.6	170.6	-63.5	0	0	0	0	112.6	A540 G542 T543 C566	C536-A540 HydrophobicContact CB-CB 4.1Å; C536-G542 PolarHBondContact N-O 3.01Å; C536-G542 PolarHBondContact SG-O 2.65Å; C536-T543 VanDerWaalsContact SG-C 3.59Å; C536-T543 PolarHBondContact SG-N 3.38Å; C536-C566 HydrophobicContact CB-CB 3.87Å; C536-C566 WeakPolarHBondContact CB-SG 3.23Å; C536-C566 WeakPolarHBondContact SG-CA 3.41Å; C536-C566 WeakPolarHBondContact SG-CB 3.2Å; C536-C566 CovalentContact SG-SG 2.03Å; C536-C566 PolarHBondContact SG-SG 2.77Å
537	P	89.7	Confident	88.7	Confident	26 Å²	26	57.2 Å²	57.2	17%	0.169	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-54.5	154.5	169.6	-25.4	37.1	0	0	0	112	M521 N539 A540 Y563 Y611	M521-P537 HydrophobicContact CE-CG 3.88Å; P537-N539 WeakPolarHBondContact CB-OD1 3.13Å; P537-N539 PolarHBondContact O-N 2.57Å; P537-N539 VanDerWaalsContact O-N 3.07Å; P537-A540 CarbonylContact O-C 3.6Å; P537-A540 PolarHBondContact O-N 2.88Å; P537-A540 VanDerWaalsContact O-O 3.06Å; P537-Y563 HydrophobicContact CG-CE1 3.92Å; P537-Y611 HydrophobicContact CG-CE1 4.29Å
538	P	87.9	Confident	89.2	Confident	132 Å²	132	55.9 Å²	55.9	86%	0.857	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.6	-164.4	26.3	-35.8	0	0	0	115.8	A540	P538-A540 VanDerWaalsContact C-N 3.3Å
539	N	90.9	Very high	89.5	Confident	76 Å²	76	55 Å²	55	41%	0.406	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.4	170.1	56.6	-49.5	0	0	0	113.5	P537 T568 N569 Y611	P537-N539 WeakPolarHBondContact CB-OD1 3.13Å; P537-N539 PolarHBondContact O-N 2.57Å; P537-N539 VanDerWaalsContact O-N 3.07Å; N539-T568 VanDerWaalsContact O-CG2 3.28Å; N539-T568 WeakPolarHBondContact O-CG2 3.35Å; N539-N569 PolarHBondContact O-N 3.17Å; N539-N569 PolarHBondContact O-ND2 3.14Å; N539-Y611 WeakPolarHBondContact ND2-CE2 3.17Å; N539-Y611 PolarHBondContact ND2-OH 2.89Å; N539-Y611 VanDerWaalsContact ND2-OH 3.13Å; N539-Y611 PolarHBondContact OD1-OH 2.84Å
540	A	92.4	Very high	89.8	Confident	10 Å²	10	56.3 Å²	56.3	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	166.5	-176.6	0	0	0	0	0	112.9	C536 P537 P538 C566 I567 Y611	C536-A540 HydrophobicContact CB-CB 4.1Å; P537-A540 CarbonylContact O-C 3.6Å; P537-A540 PolarHBondContact O-N 2.88Å; P537-A540 VanDerWaalsContact O-O 3.06Å; P538-A540 VanDerWaalsContact C-N 3.3Å; A540-C566 HydrophobicContact CB-CB 4.36Å; A540-I567 CarbonylContact C-O 3.59Å; A540-I567 WeakPolarHBondContact CA-O 3.47Å; A540-Y611 HydrophobicContact CB-CD2 4Å; A540-Y611 HydrophobicContact CB-CE2 3.71Å
541	T	89.4	Confident	90	Very high	38 Å²	38	52.4 Å²	52.4	23%	0.233	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.2	-178.8	57.5	0	0	0	0	111.1	I567 N569 R572	T541-I567 PolarHBondContact N-O 2.8Å; T541-I567 PolarHBondContact O-N 2.89Å; T541-I567 PolarHBondContact OG1-O 3.31Å; T541-I567 VanDerWaalsContact OG1-O 3.12Å; T541-N569 WeakPolarHBondContact CG2-OD1 3.3Å; T541-R572 WeakPolarHBondContact OG1-CD 3.47Å; T541-R572 PolarHBondContact OG1-NH1 2.69Å
542	G	88.9	Confident	90	Very high	43 Å²	43	57.6 Å²	57.6	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.1	-151.4	-177.8	0	0	0	0	0	112.4	C536 R565	C536-G542 PolarHBondContact N-O 3.01Å; C536-G542 PolarHBondContact SG-O 2.65Å; G542-R565 WeakPolarHBondContact CA-O 3.36Å
543	T	91.7	Very high	90.1	Very high	57 Å²	57	65.1 Å²	65.1	35%	0.35	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.6	-179.6	50.1	0	0	0	0	112.1	N534 C536 R565	N534-T543 CarbonylContact O-C 3.46Å; N534-T543 VanDerWaalsContact O-CA 3.24Å; N534-T543 WeakPolarHBondContact O-CA 3.43Å; N534-T543 WeakPolarHBondContact O-CB 3.43Å; C536-T543 VanDerWaalsContact SG-C 3.59Å; C536-T543 PolarHBondContact SG-N 3.38Å; T543-R565 PolarHBondContact N-O 3.03Å; T543-R565 WeakPolarHBondContact O-CB 3.48Å
544	T	90.9	Very high	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.8	160.3	49.3	0	0	0	0	108.8	M521 F533 N534 S562 Y563 C566	M521-T544 HydrophobicContact CE-CG2 4.17Å; M521-T544 HydrophobicContact SD-CG2 4.24Å; M521-T544 PolarHBondContact SD-OG1 2.61Å; F533-T544 WeakPolarHBondContact CA-O 3.45Å; N534-T544 VanDerWaalsContact CB-OG1 3.23Å; N534-T544 WeakPolarHBondContact CB-OG1 3.34Å; N534-T544 PolarHBondContact N-O 3.43Å; N534-T544 PolarHBondContact O-N 2.85Å; N534-T544 PolarHBondContact O-OG1 2.84Å; T544-S562 WeakPolarHBondContact CA-O 3.27Å; T544-Y563 HydrophobicContact CG2-CD1 3.6Å; T544-Y563 HydrophobicContact CG2-CE1 3.44Å; T544-Y563 VanDerWaalsContact CG2-CE1 3.44Å; T544-Y563 HydrophobicContact CG2-CG 4.28Å; T544-C566 VanDerWaalsContact CG2-SG 3.51Å
545	S	92.1	Very high	89.5	Confident	19 Å²	19	62.9 Å²	62.9	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.7	170.7	65.5	0	0	0	0	110.9	A532 P561 S562	A532-S545 CarbonylContact O-C 3.57Å; A532-S545 VanDerWaalsContact O-CA 3.23Å; A532-S545 WeakPolarHBondContact O-CA 3.45Å; S545-P561 CarbonylContact O-C 3.37Å; S545-P561 WeakPolarHBondContact O-CA 3.35Å; S545-S562 PolarHBondContact N-O 2.89Å; S545-S562 PolarHBondContact O-N 3.25Å
546	R	93.4	Very high	89.7	Confident	21 Å²	21	53.6 Å²	53.6	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131.3	175.4	-164.6	-175	-164.6	-175.7	-7.9	109.3	D516 W523 L531 A532 W558 E559 P561	D516-R546 IonicContact OD2-CZ 2.73Å; D516-R546 IonicContact OD2-NH1 3.57Å; D516-R546 PolarHBondContact OD2-NH1 3.13Å; D516-R546 IonicContact OD2-NH2 3.54Å; D516-R546 PolarHBondContact OD2-NH2 3.41Å; W523-R546 HydrophobicContact CD2-CB 4.12Å; W523-R546 HydrophobicContact CE3-CB 3.51Å; W523-R546 HydrophobicContact CE3-CG 4.41Å; W523-R546 VanDerWaalsContact CG-NH1 3.29Å; W523-R546 HydrophobicContact CH2-CB 3.93Å; W523-R546 HydrophobicContact CZ2-CB 4.5Å; W523-R546 HydrophobicContact CZ3-CB 3.41Å; W523-R546 VanDerWaalsContact CZ3-CB 3.41Å; L531-R546 CarbonylContact C-O 3.6Å; L531-R546 WeakPolarHBondContact CA-O 3.39Å; A532-R546 PolarHBondContact N-O 3.27Å; A532-R546 PolarHBondContact O-N 2.73Å; R546-W558 HydrophobicContact CB-CE3 4.22Å; R546-W558 HydrophobicContact CB-CZ3 4.1Å; R546-W558 HydrophobicContact CG-CD2 4.38Å; R546-W558 HydrophobicContact CG-CE3 3.64Å; R546-W558 HydrophobicContact CG-CZ3 4.04Å; R546-E559 WeakPolarHBondContact CG-O 3.25Å; R546-E559 PolarHBondContact NE-O 2.83Å; R546-P561 HydrophobicContact CB-CB 4.47Å; R546-P561 HydrophobicContact CB-CG 4.48Å; R546-P561 HydrophobicContact CG-CB 4.4Å; R546-P561 HydrophobicContact CG-CG 4Å
547	R	91.7	Very high	89.8	Confident	96 Å²	96	58.2 Å²	58.2	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.6	179.9	-179.5	174.8	-68.3	-71.9	5.5	110.5	G529 L531 S549 E559	G529-R547 PolarHBondContact O-NH1 3.41Å; L531-R547 HydrophobicContact CD2-CB 3.8Å; R547-S549 VanDerWaalsContact CD-OG 3.27Å; R547-S549 WeakPolarHBondContact CD-OG 3.36Å; R547-S549 WeakPolarHBondContact CG-OG 3.4Å; R547-E559 HydrophobicContact CB-CB 4.39Å; R547-E559 HydrophobicContact CB-CG 4.34Å; R547-E559 WeakPolarHBondContact CB-OE2 3.48Å; R547-E559 VanDerWaalsContact CD-OE1 3.27Å; R547-E559 WeakPolarHBondContact CD-OE1 3.23Å; R547-E559 PolarHBondContact O-N 2.81Å
548	C	91.9	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.2	160.8	-175.2	0	0	0	0	108.4	C513 T526 P527 G529 E530 W558	C513-C548 HydrophobicContact CB-CB 3.84Å; C513-C548 WeakPolarHBondContact CB-SG 3.32Å; C513-C548 PolarHBondContact N-SG 2.87Å; C513-C548 WeakPolarHBondContact SG-CA 3.4Å; C513-C548 WeakPolarHBondContact SG-CB 3.3Å; C513-C548 CovalentContact SG-SG 2.03Å; C513-C548 PolarHBondContact SG-SG 3.4Å; T526-C548 HydrophobicContact CG2-CB 4.19Å; T526-C548 PolarHBondContact O-SG 3.09Å; P527-C548 WeakPolarHBondContact O-CB 3.44Å; G529-C548 PolarHBondContact N-O 3.08Å; E530-C548 PolarHBondContact O-N 3.31Å; E530-C548 VanDerWaalsContact O-N 3.15Å; C548-W558 HydrophobicContact CB-CE3 4.25Å; C548-W558 HydrophobicContact CB-CZ3 4.04Å
549	S	93.7	Very high	90.4	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.2	-176.8	-78.8	0	0	0	0	110.6	R547 A556 Y557 E559	R547-S549 VanDerWaalsContact CD-OG 3.27Å; R547-S549 WeakPolarHBondContact CD-OG 3.36Å; R547-S549 WeakPolarHBondContact CG-OG 3.4Å; S549-A556 CarbonylContact O-C 3.55Å; S549-A556 WeakPolarHBondContact O-CA 3.32Å; S549-Y557 PolarHBondContact N-O 3.36Å; S549-Y557 WeakPolarHBondContact O-CD1 3.41Å; S549-Y557 PolarHBondContact O-N 2.66Å; S549-E559 WeakPolarHBondContact CB-OE1 3.28Å; S549-E559 PolarHBondContact OG-OE1 2.68Å
550	L	90.6	Very high	90.5	Very high	77 Å²	77	57.9 Å²	57.9	40%	0.403	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.1	173.5	-60.4	-176.7	0	0	0	110.6	E511 M555 A556	E511-L550 HydrophobicContact CB-CD2 4.28Å; E511-L550 HydrophobicContact CG-CD2 4.25Å; L550-M555 WeakPolarHBondContact CA-O 3.37Å; L550-A556 HydrophobicContact CD2-CB 4.1Å
551	D	89.9	Confident	90.6	Very high	31 Å²	31	58.2 Å²	58.2	17%	0.166	29%	0.29	C	S	.	.			trans	-77.4	176.8	167.1	86.1	-16.2	0	0	0	111.6	R553 G554 M555 Y557	D551-R553 PolarHBondContact O-N 3.46Å; D551-R553 WeakPolarHBondContact OD1-CA 3.25Å; D551-R553 WeakPolarHBondContact OD1-CB 3.39Å; D551-R553 PolarHBondContact OD1-N 2.87Å; D551-R553 IonicContact OD2-CZ 3.9Å; D551-R553 IonicContact OD2-NE 2.67Å; D551-R553 PolarHBondContact OD2-NE 3.42Å; D551-R553 IonicContact OD2-NH2 2.63Å; D551-R553 PolarHBondContact OD2-NH2 3.04Å; D551-G554 PolarHBondContact O-N 2.92Å; D551-G554 PolarHBondContact OD1-N 3.18Å; D551-G554 VanDerWaalsContact OD1-N 3.14Å; D551-M555 PolarHBondContact N-O 3.17Å; D551-M555 PolarHBondContact OD1-N 2.88Å; D551-Y557 HydrophobicContact CB-CD1 4Å; D551-Y557 HydrophobicContact CB-CE1 4.2Å
552	H	88.3	Confident	90.8	Very high	172 Å²	172	57.1 Å²	57.1	80%	0.796	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-2.1	178.9	64.8	-86.6	0	0	0	114.7
553	R	84.7	Confident	91.2	Very high	169 Å²	169	56.6 Å²	56.6	64%	0.638	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	2.2	175.3	-58.1	168.6	-67.3	-176.3	0.6	111.9	D551 M555	D551-R553 PolarHBondContact O-N 3.46Å; D551-R553 WeakPolarHBondContact OD1-CA 3.25Å; D551-R553 WeakPolarHBondContact OD1-CB 3.39Å; D551-R553 PolarHBondContact OD1-N 2.87Å; D551-R553 IonicContact OD2-CZ 3.9Å; D551-R553 IonicContact OD2-NE 2.67Å; D551-R553 PolarHBondContact OD2-NE 3.42Å; D551-R553 IonicContact OD2-NH2 2.63Å; D551-R553 PolarHBondContact OD2-NH2 3.04Å; R553-M555 HydrophobicContact CB-CE 4.05Å; R553-M555 VanDerWaalsContact NE-CE 3.31Å
554	G	80.1	Confident	91.3	Very high	23 Å²	23	54.1 Å²	54.1	24%	0.237	25%	0.253	C	S	.	.	S	Bend	trans	79.6	16.6	-177.2	0	0	0	0	0	114.4	Y510 D551	Y510-G554 WeakPolarHBondContact CD2-O 3.42Å; D551-G554 PolarHBondContact O-N 2.92Å; D551-G554 PolarHBondContact OD1-N 3.18Å; D551-G554 VanDerWaalsContact OD1-N 3.14Å
555	M	84.1	Confident	91.4	Very high	82 Å²	82	60.1 Å²	60.1	40%	0.404	28%	0.276	S	S	.	.			trans	-95.2	133.7	175.5	-70.6	-175.6	-72	0	0	111.4	L550 D551 R553	L550-M555 WeakPolarHBondContact CA-O 3.37Å; D551-M555 PolarHBondContact N-O 3.17Å; D551-M555 PolarHBondContact OD1-N 2.88Å; R553-M555 HydrophobicContact CB-CE 4.05Å; R553-M555 VanDerWaalsContact NE-CE 3.31Å
556	A	90.4	Very high	91.5	Very high	19 Å²	19	59.2 Å²	59.2	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.1	179.2	0	0	0	0	0	112.3	Y510 E511 S549 L550	Y510-A556 WeakPolarHBondContact O-CB 3.37Å; Y510-A556 PolarHBondContact O-N 3.31Å; E511-A556 VanDerWaalsContact C-CB 3.45Å; S549-A556 CarbonylContact O-C 3.55Å; S549-A556 WeakPolarHBondContact O-CA 3.32Å; L550-A556 HydrophobicContact CD2-CB 4.1Å
557	Y	94	Very high	91.6	Very high	112 Å²	112	59.9 Å²	59.9	44%	0.439	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.3	173.4	76.6	-81.4	0	0	0	111.1	C513 S549 D551 E559	C513-Y557 PolarHBondContact SG-O 3.37Å; S549-Y557 PolarHBondContact N-O 3.36Å; S549-Y557 WeakPolarHBondContact O-CD1 3.41Å; S549-Y557 PolarHBondContact O-N 2.66Å; D551-Y557 HydrophobicContact CB-CD1 4Å; D551-Y557 HydrophobicContact CB-CE1 4.2Å; Y557-E559 HydrophobicContact CE2-CG 4.18Å
558	W	95.6	Very high	91.7	Very high	32 Å²	32	56 Å²	56	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128	176.2	-82.4	126.8	0	0	0	111.7	C513 P514 W523 R524 T526 A532 R546 C548	C513-W558 HydrophobicContact CB-CD2 3.78Å; C513-W558 HydrophobicContact CB-CE3 4.29Å; C513-W558 HydrophobicContact CB-CG 4.18Å; C513-W558 HydrophobicContact CB-CH2 4.35Å; C513-W558 HydrophobicContact CB-CZ2 3.83Å; P514-W558 PolarHBondContact O-NE1 3.02Å; W523-W558 HydrophobicContact CB-CH2 4.46Å; W523-W558 HydrophobicContact CB-CZ2 3.94Å; R524-W558 WeakPolarHBondContact O-CZ2 3.29Å; T526-W558 HydrophobicContact CG2-CH2 4.24Å; T526-W558 WeakPolarHBondContact OG1-CH2 3.44Å; A532-W558 HydrophobicContact CB-CH2 3.6Å; A532-W558 HydrophobicContact CB-CZ3 4.1Å; R546-W558 HydrophobicContact CB-CE3 4.22Å; R546-W558 HydrophobicContact CB-CZ3 4.1Å; R546-W558 HydrophobicContact CG-CD2 4.38Å; R546-W558 HydrophobicContact CG-CE3 3.64Å; R546-W558 HydrophobicContact CG-CZ3 4.04Å; C548-W558 HydrophobicContact CB-CE3 4.25Å; C548-W558 HydrophobicContact CB-CZ3 4.04Å
559	E	94.2	Very high	91.8	Very high	60 Å²	60	59.4 Å²	59.4	28%	0.28	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-71.5	170	167.9	-68.9	-180	-165.5	0	0	112.3	R546 R547 S549 Y557	R546-E559 WeakPolarHBondContact CG-O 3.25Å; R546-E559 PolarHBondContact NE-O 2.83Å; R547-E559 HydrophobicContact CB-CB 4.39Å; R547-E559 HydrophobicContact CB-CG 4.34Å; R547-E559 WeakPolarHBondContact CB-OE2 3.48Å; R547-E559 VanDerWaalsContact CD-OE1 3.27Å; R547-E559 WeakPolarHBondContact CD-OE1 3.23Å; R547-E559 PolarHBondContact O-N 2.81Å; S549-E559 WeakPolarHBondContact CB-OE1 3.28Å; S549-E559 PolarHBondContact OG-OE1 2.68Å; Y557-E559 HydrophobicContact CE2-CG 4.18Å
560	K	92.9	Very high	91.7	Very high	134 Å²	134	62.6 Å²	62.6	58%	0.583	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-57.4	130.9	166.1	-75.6	-177	175.5	177.8	0	109.3	E658	K560-E658 IonicContact NZ-OE1 2.75Å; K560-E658 PolarHBondContact NZ-OE1 3.3Å; K560-E658 IonicContact NZ-OE2 3.8Å; K560-E658 PolarHBondContact NZ-OE2 2.99Å
561	P	93.6	Very high	91.8	Very high	18 Å²	18	59.4 Å²	59.4	12%	0.117	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.1	139.3	172.8	-26.8	36.6	0	0	0	112.8	M519 W523 S545 R546 Y563	M519-P561 HydrophobicContact CE-CB 3.81Å; M519-P561 HydrophobicContact CE-CG 3.45Å; M519-P561 VanDerWaalsContact CE-CG 3.45Å; W523-P561 HydrophobicContact CH2-CB 4.04Å; W523-P561 HydrophobicContact CH2-CG 4.45Å; W523-P561 HydrophobicContact CZ2-CB 3.77Å; W523-P561 HydrophobicContact CZ2-CG 3.82Å; S545-P561 CarbonylContact O-C 3.37Å; S545-P561 WeakPolarHBondContact O-CA 3.35Å; R546-P561 HydrophobicContact CB-CB 4.47Å; R546-P561 HydrophobicContact CB-CG 4.48Å; R546-P561 HydrophobicContact CG-CB 4.4Å; R546-P561 HydrophobicContact CG-CG 4Å; P561-Y563 HydrophobicContact CB-CE2 4.17Å
562	S	94.8	Very high	91.9	Very high	14 Å²	14	63.1 Å²	63.1	10%	0.098	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-88	135.2	176.3	-173.9	0	0	0	0	111.3	T544 S545 A564 D662	T544-S562 WeakPolarHBondContact CA-O 3.27Å; S545-S562 PolarHBondContact N-O 2.89Å; S545-S562 PolarHBondContact O-N 3.25Å; S562-A564 PolarHBondContact OG-N 2.75Å; S562-D662 WeakPolarHBondContact CA-OD1 3.49Å; S562-D662 VanDerWaalsContact CA-OD2 3.32Å; S562-D662 WeakPolarHBondContact CA-OD2 3.44Å; S562-D662 WeakPolarHBondContact CB-OD1 3.46Å; S562-D662 PolarHBondContact OG-OD1 3.23Å; S562-D662 PolarHBondContact OG-OD2 2.96Å
563	Y	95.8	Very high	92.1	Very high	33 Å²	33	61.6 Å²	61.6	13%	0.129	28%	0.275	C	S	.	.			trans	-114.7	9.7	175.4	-70	-93.2	0	0	0	111.7	M519 P537 T544 P561 R565 C566 Y611 G613 D662	M519-Y563 HydrophobicContact CE-CE2 3.83Å; M519-Y563 VanDerWaalsContact CE-OH 3.26Å; M519-Y563 WeakPolarHBondContact CE-OH 3.47Å; M519-Y563 HydrophobicContact SD-CE2 4.26Å; M519-Y563 PolarHBondContact SD-OH 2.76Å; M519-Y563 VanDerWaalsContact SD-OH 3.34Å; P537-Y563 HydrophobicContact CG-CE1 3.92Å; T544-Y563 HydrophobicContact CG2-CD1 3.6Å; T544-Y563 HydrophobicContact CG2-CE1 3.44Å; T544-Y563 VanDerWaalsContact CG2-CE1 3.44Å; T544-Y563 HydrophobicContact CG2-CG 4.28Å; P561-Y563 HydrophobicContact CB-CE2 4.17Å; Y563-R565 PolarHBondContact O-N 3.37Å; Y563-R565 VanDerWaalsContact O-N 3.07Å; Y563-C566 HydrophobicContact CD1-CB 4.3Å; Y563-C566 WeakPolarHBondContact O-CB 3.37Å; Y563-C566 PolarHBondContact O-N 3.49Å; Y563-Y611 AromaticContact CD1-CD1 3.53Å; Y563-Y611 HydrophobicContact CD1-CD1 3.53Å; Y563-Y611 AromaticContact CD1-CE1 3.71Å; Y563-Y611 HydrophobicContact CD1-CE1 3.71Å; Y563-Y611 HydrophobicContact CE1-CD1 4.31Å; Y563-Y611 HydrophobicContact CE1-CE1 4.05Å; Y563-Y611 AromaticContact CG-CD1 3.92Å; Y563-Y611 HydrophobicContact CG-CD1 3.92Å; Y563-Y611 HydrophobicContact CG-CE1 4.45Å; Y563-G613 PolarHBondContact O-N 2.8Å; Y563-D662 PolarHBondContact N-OD2 2.87Å
564	A	93.9	Very high	92.5	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.2	179.5	0	0	0	0	0	114.2	S562 A612 G613 D662 I666	S562-A564 PolarHBondContact OG-N 2.75Å; A564-A612 HydrophobicContact CB-CB 4.32Å; A564-G613 VanDerWaalsContact O-CA 3.26Å; A564-G613 WeakPolarHBondContact O-CA 3.48Å; A564-D662 WeakPolarHBondContact CB-O 3.49Å; A564-D662 PolarHBondContact N-OD2 2.96Å; A564-I666 HydrophobicContact CB-CD1 3.69Å; A564-I666 HydrophobicContact CB-CG1 3.93Å
565	R	93.3	Very high	92.9	Very high	127 Å²	127	54 Å²	54	48%	0.479	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	14.9	174.5	-64.3	-178.8	-179.6	155.4	0.6	113.8	G542 T543 Y563 I666	G542-R565 WeakPolarHBondContact CA-O 3.36Å; T543-R565 PolarHBondContact N-O 3.03Å; T543-R565 WeakPolarHBondContact O-CB 3.48Å; Y563-R565 PolarHBondContact O-N 3.37Å; Y563-R565 VanDerWaalsContact O-N 3.07Å; R565-I666 HydrophobicContact CG-CD1 3.74Å
566	C	93.9	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.3	171.5	-65.2	0	0	0	0	110.8	C536 A540 T544 Y563 Y611 G613	C536-C566 HydrophobicContact CB-CB 3.87Å; C536-C566 WeakPolarHBondContact CB-SG 3.23Å; C536-C566 WeakPolarHBondContact SG-CA 3.41Å; C536-C566 WeakPolarHBondContact SG-CB 3.2Å; C536-C566 CovalentContact SG-SG 2.03Å; C536-C566 PolarHBondContact SG-SG 2.77Å; A540-C566 HydrophobicContact CB-CB 4.36Å; T544-C566 VanDerWaalsContact CG2-SG 3.51Å; Y563-C566 HydrophobicContact CD1-CB 4.3Å; Y563-C566 WeakPolarHBondContact O-CB 3.37Å; Y563-C566 PolarHBondContact O-N 3.49Å; C566-Y611 HydrophobicContact CB-CD2 4.4Å; C566-Y611 HydrophobicContact CB-CG 4.16Å; C566-Y611 WeakPolarHBondContact O-CB 3.33Å; C566-G613 CarbonylContact O-C 3.55Å; C566-G613 VanDerWaalsContact O-CA 3.24Å; C566-G613 WeakPolarHBondContact O-CA 3.4Å; C566-G613 PolarHBondContact O-N 2.97Å
567	I	95.3	Very high	93.1	Very high	34 Å²	34	55.5 Å²	55.5	17%	0.174	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.8	176.7	-54.6	176.6	0	0	0	108.2	A540 T541 F571 R572 D614	A540-I567 CarbonylContact C-O 3.59Å; A540-I567 WeakPolarHBondContact CA-O 3.47Å; T541-I567 PolarHBondContact N-O 2.8Å; T541-I567 PolarHBondContact O-N 2.89Å; T541-I567 PolarHBondContact OG1-O 3.31Å; T541-I567 VanDerWaalsContact OG1-O 3.12Å; I567-F571 HydrophobicContact CG2-CB 3.86Å; I567-R572 HydrophobicContact CG2-CB 4.28Å; I567-D614 WeakPolarHBondContact CA-OD1 3Å
568	T	95.5	Very high	92.8	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.4	179	-48.5	0	0	0	0	110	N539 E570 F571 R572 Y611 D614	N539-T568 VanDerWaalsContact O-CG2 3.28Å; N539-T568 WeakPolarHBondContact O-CG2 3.35Å; T568-E570 VanDerWaalsContact CG2-OE2 3.32Å; T568-E570 WeakPolarHBondContact CG2-OE2 3.04Å; T568-E570 PolarHBondContact O-N 2.93Å; T568-E570 VanDerWaalsContact O-N 3.12Å; T568-F571 PolarHBondContact O-N 3.48Å; T568-F571 VanDerWaalsContact O-N 3.12Å; T568-R572 PolarHBondContact O-N 2.83Å; T568-Y611 VanDerWaalsContact OG1-CD2 3.31Å; T568-Y611 WeakPolarHBondContact OG1-CD2 3.36Å; T568-D614 WeakPolarHBondContact CB-OD1 3.44Å; T568-D614 PolarHBondContact N-OD1 2.83Å; T568-D614 PolarHBondContact OG1-OD1 3.05Å; T568-D614 PolarHBondContact OG1-OD2 2.74Å
569	N	92.3	Very high	92.2	Very high	71 Å²	71	55 Å²	55	38%	0.38	25%	0.248	S	C	.	.	H	α-helix	trans	-56.6	-34.3	-166.8	-72.6	-54.5	0	0	0	114	N539 T541 R572 Y573	N539-N569 PolarHBondContact O-N 3.17Å; N539-N569 PolarHBondContact O-ND2 3.14Å; T541-N569 WeakPolarHBondContact CG2-OD1 3.3Å; N569-R572 PolarHBondContact O-N 3.28Å; N569-Y573 WeakPolarHBondContact O-CB 3.5Å; N569-Y573 PolarHBondContact O-N 2.88Å
570	E	92.1	Very high	91.7	Very high	88 Å²	88	55.1 Å²	55.1	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-45.6	178.8	-68.5	71.2	-162.4	0	0	112	T568 Y573 L574 Y604	T568-E570 VanDerWaalsContact CG2-OE2 3.32Å; T568-E570 WeakPolarHBondContact CG2-OE2 3.04Å; T568-E570 PolarHBondContact O-N 2.93Å; T568-E570 VanDerWaalsContact O-N 3.12Å; E570-Y573 PolarHBondContact O-N 3.25Å; E570-L574 WeakPolarHBondContact O-CB 3.44Å; E570-L574 PolarHBondContact O-N 3.46Å; E570-Y604 HydrophobicContact CB-CD1 4.17Å; E570-Y604 HydrophobicContact CB-CD2 4.13Å; E570-Y604 HydrophobicContact CB-CE1 4.03Å; E570-Y604 HydrophobicContact CB-CE2 3.98Å; E570-Y604 HydrophobicContact CB-CG 4.23Å; E570-Y604 HydrophobicContact CG-CD1 4.41Å; E570-Y604 HydrophobicContact CG-CE1 4.07Å
571	F	93.5	Very high	91.1	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.044	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-41.1	176.2	-69.7	-93.4	0	0	0	111	I567 T568 Y573 L574 Q575 L601 T605 F610 D614 S618	I567-F571 HydrophobicContact CG2-CB 3.86Å; T568-F571 PolarHBondContact O-N 3.48Å; T568-F571 VanDerWaalsContact O-N 3.12Å; F571-Y573 PolarHBondContact O-N 3.15Å; F571-L574 WeakPolarHBondContact O-CB 3.41Å; F571-L574 PolarHBondContact O-N 3.25Å; F571-L574 VanDerWaalsContact O-N 3.12Å; F571-Q575 PolarHBondContact O-N 3.37Å; F571-L601 HydrophobicContact CD1-CD1 3.95Å; F571-L601 HydrophobicContact CE1-CD1 3.61Å; F571-T605 HydrophobicContact CE1-CG2 4.37Å; F571-T605 HydrophobicContact CZ-CG2 4.5Å; F571-F610 HydrophobicContact CZ-CD1 4.06Å; F571-F610 AromaticContact CZ-CE1 3.99Å; F571-F610 HydrophobicContact CZ-CE1 3.99Å; F571-D614 HydrophobicContact CD2-CB 4.18Å; F571-D614 WeakPolarHBondContact CD2-OD1 3.48Å; F571-D614 HydrophobicContact CE2-CB 4.19Å; F571-D614 HydrophobicContact CG-CB 4.38Å; F571-D614 HydrophobicContact CZ-CB 4.39Å; F571-S618 VanDerWaalsContact CE1-OG 3.29Å; F571-S618 WeakPolarHBondContact CE1-OG 3.42Å
572	R	91.2	Very high	90.2	Very high	108 Å²	108	53.7 Å²	53.7	41%	0.408	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-42.4	175.2	-167.1	-170.5	-168.9	85.7	14.2	112.4	T541 I567 T568 N569 L574 Q575 Q576	T541-R572 WeakPolarHBondContact OG1-CD 3.47Å; T541-R572 PolarHBondContact OG1-NH1 2.69Å; I567-R572 HydrophobicContact CG2-CB 4.28Å; T568-R572 PolarHBondContact O-N 2.83Å; N569-R572 PolarHBondContact O-N 3.28Å; R572-L574 VanDerWaalsContact C-N 3.3Å; R572-Q575 PolarHBondContact O-N 3.14Å; R572-Q576 WeakPolarHBondContact O-CG 3.46Å; R572-Q576 PolarHBondContact O-N 3.09Å
573	Y	92.1	Very high	89.1	Confident	140 Å²	140	56.8 Å²	56.8	55%	0.549	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-34.9	174.6	175.5	-103.5	0	0	0	111.9	N569 E570 F571 Q576 T577	N569-Y573 WeakPolarHBondContact O-CB 3.5Å; N569-Y573 PolarHBondContact O-N 2.88Å; E570-Y573 PolarHBondContact O-N 3.25Å; F571-Y573 PolarHBondContact O-N 3.15Å; Y573-Q576 PolarHBondContact O-N 3.02Å; Y573-T577 PolarHBondContact O-N 2.92Å; Y573-T577 PolarHBondContact O-OG1 3.3Å
574	L	93.1	Very high	87.9	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-39.9	177.4	-164.3	57.8	0	0	0	112.4	E570 F571 R572 Q576 T577 V578 V597 N600 L601 Y604 I621	E570-L574 WeakPolarHBondContact O-CB 3.44Å; E570-L574 PolarHBondContact O-N 3.46Å; F571-L574 WeakPolarHBondContact O-CB 3.41Å; F571-L574 PolarHBondContact O-N 3.25Å; F571-L574 VanDerWaalsContact O-N 3.12Å; R572-L574 VanDerWaalsContact C-N 3.3Å; L574-Q576 VanDerWaalsContact C-N 3.33Å; L574-Q576 PolarHBondContact O-N 3.34Å; L574-T577 WeakPolarHBondContact O-CA 3.42Å; L574-T577 WeakPolarHBondContact O-CB 3.37Å; L574-T577 PolarHBondContact O-N 2.85Å; L574-T577 VanDerWaalsContact O-N 3.09Å; L574-V578 PolarHBondContact O-N 3.32Å; L574-V597 HydrophobicContact CD1-CB 4.32Å; L574-V597 HydrophobicContact CD1-CG1 4.02Å; L574-V597 HydrophobicContact CD1-CG2 4.12Å; L574-V597 HydrophobicContact CD2-CG1 4.38Å; L574-V597 HydrophobicContact CG-CG1 4.08Å; L574-N600 HydrophobicContact CD1-CB 3.82Å; L574-N600 HydrophobicContact CD2-CB 4.19Å; L574-L601 HydrophobicContact CD2-CB 3.77Å; L574-L601 HydrophobicContact CD2-CD1 4.24Å; L574-Y604 HydrophobicContact CB-CE2 4.37Å; L574-Y604 HydrophobicContact CD2-CD2 3.97Å; L574-Y604 HydrophobicContact CD2-CE2 4.11Å; L574-I621 HydrophobicContact CB-CD1 4.21Å; L574-I621 HydrophobicContact CD2-CD1 4.2Å; L574-I621 HydrophobicContact CG-CD1 4.22Å
575	Q	90	Very high	86.3	Confident	32 Å²	32	63 Å²	63	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-56.4	-44.6	169.9	-72.7	172.4	-48.3	0	0	111.9	F571 R572 T577 V578 Q579 S617 E620 I621	F571-Q575 PolarHBondContact O-N 3.37Å; R572-Q575 PolarHBondContact O-N 3.14Å; Q575-T577 VanDerWaalsContact C-N 3.3Å; Q575-T577 PolarHBondContact O-N 3.42Å; Q575-V578 WeakPolarHBondContact O-CB 3.43Å; Q575-V578 PolarHBondContact O-N 3.48Å; Q575-Q579 PolarHBondContact O-N 3.48Å; Q575-S617 PolarHBondContact NE2-OG 2.81Å; Q575-E620 PolarHBondContact NE2-OE2 2.91Å; Q575-I621 HydrophobicContact CG-CD1 4.02Å; Q575-I621 HydrophobicContact CG-CG1 3.87Å
576	Q	89.1	Confident	85.5	Confident	108 Å²	108	62.8 Å²	62.8	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-35.6	175.2	-68.5	175.8	-14.2	0	0	112.2	R572 Y573 L574 Q579 S580	R572-Q576 WeakPolarHBondContact O-CG 3.46Å; R572-Q576 PolarHBondContact O-N 3.09Å; Y573-Q576 PolarHBondContact O-N 3.02Å; L574-Q576 VanDerWaalsContact C-N 3.33Å; L574-Q576 PolarHBondContact O-N 3.34Å; Q576-Q579 PolarHBondContact O-N 3.16Å; Q576-S580 PolarHBondContact O-N 3.28Å
577	T	89.9	Confident	84.8	Confident	25 Å²	25	71 Å²	71	15%	0.153	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-38.9	176.7	-59.4	0	0	0	0	111.9	Y573 L574 Q575 S580 H581 V597	Y573-T577 PolarHBondContact O-N 2.92Å; Y573-T577 PolarHBondContact O-OG1 3.3Å; L574-T577 WeakPolarHBondContact O-CA 3.42Å; L574-T577 WeakPolarHBondContact O-CB 3.37Å; L574-T577 PolarHBondContact O-N 2.85Å; L574-T577 VanDerWaalsContact O-N 3.09Å; Q575-T577 VanDerWaalsContact C-N 3.3Å; Q575-T577 PolarHBondContact O-N 3.42Å; T577-S580 WeakPolarHBondContact O-CB 3.31Å; T577-S580 PolarHBondContact O-N 3.2Å; T577-H581 PolarHBondContact O-CD2 2.81Å; T577-H581 PolarHBondContact O-N 3.26Å; T577-V597 HydrophobicContact CG2-CG2 4.19Å
578	V	86.9	Confident	84.2	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-57.2	-50.3	172.5	170.9	0	0	0	0	110.8	L574 Q575 S580 H581 L582 M594 V597 I621 N624	L574-V578 PolarHBondContact O-N 3.32Å; Q575-V578 WeakPolarHBondContact O-CB 3.43Å; Q575-V578 PolarHBondContact O-N 3.48Å; V578-S580 VanDerWaalsContact C-N 3.31Å; V578-S580 PolarHBondContact O-N 2.96Å; V578-H581 PolarHBondContact O-N 2.57Å; V578-H581 VanDerWaalsContact O-N 3.11Å; V578-L582 HydrophobicContact CG1-CD1 3.92Å; V578-L582 PolarHBondContact O-N 2.91Å; V578-M594 HydrophobicContact CG1-CE 4.14Å; V578-M594 HydrophobicContact CG1-SD 4.19Å; V578-M594 HydrophobicContact CG2-SD 4.38Å; V578-V597 HydrophobicContact CG2-CB 4.38Å; V578-V597 HydrophobicContact CG2-CG1 3.67Å; V578-V597 HydrophobicContact CG2-CG2 3.92Å; V578-I621 HydrophobicContact CG2-CG2 4.25Å; V578-N624 HydrophobicContact CG1-CB 3.95Å
579	Q	83.8	Confident	83.6	Confident	132 Å²	132	76.6 Å²	76.6	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-61.1	-38.5	178.4	-64.9	-179	0.3	0	0	112.3	Q575 Q576 H581 L582 A583	Q575-Q579 PolarHBondContact O-N 3.48Å; Q576-Q579 PolarHBondContact O-N 3.16Å; Q579-H581 VanDerWaalsContact C-N 3.34Å; Q579-H581 PolarHBondContact O-N 2.81Å; Q579-L582 PolarHBondContact O-N 3.02Å; Q579-A583 PolarHBondContact O-N 2.88Å; Q579-A583 VanDerWaalsContact O-N 3.16Å
580	S	82.8	Confident	83.3	Confident	64 Å²	64	73.7 Å²	73.7	45%	0.448	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-35.2	174.6	-177.6	0	0	0	0	113.2	Q576 T577 V578 K584	Q576-S580 PolarHBondContact O-N 3.28Å; T577-S580 WeakPolarHBondContact O-CB 3.31Å; T577-S580 PolarHBondContact O-N 3.2Å; V578-S580 VanDerWaalsContact C-N 3.31Å; V578-S580 PolarHBondContact O-N 2.96Å; S580-K584 VanDerWaalsContact O-CE 3.27Å; S580-K584 WeakPolarHBondContact O-CE 3.47Å
581	H	80.9	Confident	83.2	Confident	34 Å²	34	69.5 Å²	69.5	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-76.5	-34.9	174.7	-85.4	-91.2	0	0	0	113	T577 V578 Q579 A583 K584 L589 G593 M594	T577-H581 PolarHBondContact O-CD2 2.81Å; T577-H581 PolarHBondContact O-N 3.26Å; V578-H581 PolarHBondContact O-N 2.57Å; V578-H581 VanDerWaalsContact O-N 3.11Å; Q579-H581 VanDerWaalsContact C-N 3.34Å; Q579-H581 PolarHBondContact O-N 2.81Å; H581-A583 PolarHBondContact O-N 2.72Å; H581-K584 PolarHBondContact CD2-NZ 3.28Å; H581-K584 PolarHBondContact CE1-NZ 3.46Å; H581-K584 PolarHBondContact ND1-NZ 3.04Å; H581-K584 PolarHBondContact NE2-NZ 3.15Å; H581-K584 WeakPolarHBondContact O-CB 2.98Å; H581-K584 PolarHBondContact O-N 2.96Å; H581-L589 PolarHBondContact ND1-O 3.09Å; H581-G593 WeakPolarHBondContact CE1-CA 3.38Å; H581-G593 WeakPolarHBondContact ND1-CA 3.38Å; H581-M594 HydrophobicContact CB-CE 3.56Å
582	L	73.9	Confident	83	Confident	87 Å²	87	72.8 Å²	72.8	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-28.1	172.8	-76	165.9	0	0	0	113.5	V578 Q579 K584 M594 T628	V578-L582 HydrophobicContact CG1-CD1 3.92Å; V578-L582 PolarHBondContact O-N 2.91Å; Q579-L582 PolarHBondContact O-N 3.02Å; L582-K584 PolarHBondContact O-N 3.34Å; L582-M594 HydrophobicContact CG-CE 4.44Å; L582-T628 HydrophobicContact CD2-CG2 4.16Å; L582-T628 WeakPolarHBondContact CD2-OG1 3.17Å
583	A	72.6	Confident	83.1	Confident	80 Å²	80	67.8 Å²	67.8	66%	0.661	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.2	174.4	0	0	0	0	0	114.1	Q579 H581 G585	Q579-A583 PolarHBondContact O-N 2.88Å; Q579-A583 VanDerWaalsContact O-N 3.16Å; H581-A583 PolarHBondContact O-N 2.72Å; A583-G585 PolarHBondContact O-N 2.99Å
584	K	70.1	Confident	83.2	Confident	79 Å²	79	61.1 Å²	61.1	34%	0.343	34%	0.338	S	S	.	.	S	Bend	trans	-90.4	97.1	-179.5	-60.9	166.3	-165.4	164	0	108.8	S580 H581 L582 Q586	S580-K584 VanDerWaalsContact O-CE 3.27Å; S580-K584 WeakPolarHBondContact O-CE 3.47Å; H581-K584 PolarHBondContact CD2-NZ 3.28Å; H581-K584 PolarHBondContact CE1-NZ 3.46Å; H581-K584 PolarHBondContact ND1-NZ 3.04Å; H581-K584 PolarHBondContact NE2-NZ 3.15Å; H581-K584 WeakPolarHBondContact O-CB 2.98Å; H581-K584 PolarHBondContact O-N 2.96Å; L582-K584 PolarHBondContact O-N 3.34Å; K584-Q586 PolarHBondContact O-N 3.45Å
585	G	59.6	Low	83.3	Confident	88 Å²	88	61.7 Å²	61.7	91%	0.907	34%	0.342	S	S	*	.			trans	-65.1	23.1	-171.5	0	0	0	0	0	118.3	A583	A583-G585 PolarHBondContact O-N 2.99Å
586	Q	77.4	Confident	83.5	Confident	122 Å²	122	66.6 Å²	66.6	57%	0.57	36%	0.363	S	S	*	.			trans	-113	125.8	172.3	-70	-175.1	-11.9	0	0	110	K584 T588 L589 A590	K584-Q586 PolarHBondContact O-N 3.45Å; Q586-T588 VanDerWaalsContact C-N 3.34Å; Q586-T588 PolarHBondContact O-N 2.8Å; Q586-L589 HydrophobicContact CB-CB 4.27Å; Q586-L589 HydrophobicContact CB-CD1 4.22Å; Q586-L589 HydrophobicContact CB-CG 4.22Å; Q586-L589 PolarHBondContact O-N 3.14Å; Q586-A590 PolarHBondContact O-N 3.34Å
587	R	79.8	Confident	83.9	Confident	173 Å²	173	61.6 Å²	61.6	65%	0.653	34%	0.34	S	S	*	.	H	α-helix	trans	-56.9	-41.6	-172.8	-66.4	-178	-178.1	-176.1	1.2	113.5	A590 G591 A632	R587-A590 PolarHBondContact O-N 2.95Å; R587-G591 PolarHBondContact O-N 3.39Å; R587-G591 VanDerWaalsContact O-N 3.07Å; R587-A632 HydrophobicContact CB-CB 4.08Å; R587-A632 WeakPolarHBondContact CD-O 3.46Å
588	T	80.9	Confident	84.2	Confident	85 Å²	85	60.4 Å²	60.4	52%	0.521	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-50.6	177.6	47.9	0	0	0	0	112	Q586 A590 G591 D592	Q586-T588 VanDerWaalsContact C-N 3.34Å; Q586-T588 PolarHBondContact O-N 2.8Å; T588-A590 PolarHBondContact O-N 2.89Å; T588-G591 CarbonylContact O-C 3.55Å; T588-G591 WeakPolarHBondContact O-CA 3.46Å; T588-G591 PolarHBondContact O-N 3.37Å; T588-D592 VanDerWaalsContact O-CG 3.26Å; T588-D592 PolarHBondContact O-N 2.81Å
589	L	84.3	Confident	84.7	Confident	81 Å²	81	66 Å²	66	42%	0.424	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-24.7	177.6	-64.6	-175.8	0	0	0	114	H581 Q586 G593	H581-L589 PolarHBondContact ND1-O 3.09Å; Q586-L589 HydrophobicContact CB-CB 4.27Å; Q586-L589 HydrophobicContact CB-CD1 4.22Å; Q586-L589 HydrophobicContact CB-CG 4.22Å; Q586-L589 PolarHBondContact O-N 3.14Å; L589-G593 PolarHBondContact O-N 3.4Å
590	A	86	Confident	85.3	Confident	11 Å²	11	61.7 Å²	61.7	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-72	-49.8	169.4	0	0	0	0	0	110.8	Q586 R587 T588 G593 M594 T628	Q586-A590 PolarHBondContact O-N 3.34Å; R587-A590 PolarHBondContact O-N 2.95Å; T588-A590 PolarHBondContact O-N 2.89Å; A590-G593 WeakPolarHBondContact O-CA 3.46Å; A590-G593 PolarHBondContact O-N 3.43Å; A590-M594 WeakPolarHBondContact O-CG 3.37Å; A590-M594 PolarHBondContact O-N 3.5Å; A590-T628 HydrophobicContact CB-CG2 4.11Å
591	G	88.6	Confident	86	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-54.4	177.1	0	0	0	0	0	113.9	R587 T588 G593 M594 S595 F629	R587-G591 PolarHBondContact O-N 3.39Å; R587-G591 VanDerWaalsContact O-N 3.07Å; T588-G591 CarbonylContact O-C 3.55Å; T588-G591 WeakPolarHBondContact O-CA 3.46Å; T588-G591 PolarHBondContact O-N 3.37Å; G591-G593 PolarHBondContact O-N 3.36Å; G591-G593 VanDerWaalsContact O-N 3.12Å; G591-M594 WeakPolarHBondContact O-CA 3.27Å; G591-M594 WeakPolarHBondContact O-CB 3.32Å; G591-M594 PolarHBondContact O-N 3.49Å; G591-S595 PolarHBondContact O-N 2.83Å; G591-F629 WeakPolarHBondContact O-CE1 3.27Å
592	D	90.3	Very high	86.8	Confident	79 Å²	79	58 Å²	58	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-31.9	175.5	-56	-31.6	0	0	0	111.5	T588 K596 Y634	T588-D592 VanDerWaalsContact O-CG 3.26Å; T588-D592 PolarHBondContact O-N 2.81Å; D592-K596 PolarHBondContact O-N 2.81Å; D592-K596 VanDerWaalsContact O-N 3.14Å; D592-Y634 VanDerWaalsContact OD1-CE2 3.3Å; D592-Y634 WeakPolarHBondContact OD1-CE2 3.28Å; D592-Y634 PolarHBondContact OD1-OH 3.46Å
593	G	92.6	Very high	87.8	Confident	2 Å²	2	58.1 Å²	58.1	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-46.1	171.2	0	0	0	0	0	113.8	H581 L589 A590 G591 K596 V597	H581-G593 WeakPolarHBondContact CE1-CA 3.38Å; H581-G593 WeakPolarHBondContact ND1-CA 3.38Å; L589-G593 PolarHBondContact O-N 3.4Å; A590-G593 WeakPolarHBondContact O-CA 3.46Å; A590-G593 PolarHBondContact O-N 3.43Å; G591-G593 PolarHBondContact O-N 3.36Å; G591-G593 VanDerWaalsContact O-N 3.12Å; G593-K596 PolarHBondContact O-N 2.84Å; G593-V597 WeakPolarHBondContact O-CG2 3.31Å; G593-V597 PolarHBondContact O-N 3.26Å
594	M	94.5	Very high	88.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-40.1	177.3	-65.9	-51.8	129.1	0	0	112.2	V578 H581 L582 A590 G591 K596 V597 T598 V625 T628 F629	V578-M594 HydrophobicContact CG1-CE 4.14Å; V578-M594 HydrophobicContact CG1-SD 4.19Å; V578-M594 HydrophobicContact CG2-SD 4.38Å; H581-M594 HydrophobicContact CB-CE 3.56Å; L582-M594 HydrophobicContact CG-CE 4.44Å; A590-M594 WeakPolarHBondContact O-CG 3.37Å; A590-M594 PolarHBondContact O-N 3.5Å; G591-M594 WeakPolarHBondContact O-CA 3.27Å; G591-M594 WeakPolarHBondContact O-CB 3.32Å; G591-M594 PolarHBondContact O-N 3.49Å; M594-K596 VanDerWaalsContact C-N 3.26Å; M594-K596 PolarHBondContact O-N 2.93Å; M594-V597 CarbonylContact O-C 3.51Å; M594-V597 WeakPolarHBondContact O-CA 3.34Å; M594-V597 WeakPolarHBondContact O-CB 3.06Å; M594-V597 PolarHBondContact O-N 3.38Å; M594-T598 PolarHBondContact O-N 2.93Å; M594-T598 PolarHBondContact O-OG1 3.08Å; M594-V625 HydrophobicContact CB-CB 4.5Å; M594-V625 HydrophobicContact CB-CG1 4.21Å; M594-V625 HydrophobicContact CB-CG2 4.14Å; M594-V625 HydrophobicContact CG-CG2 4.32Å; M594-V625 HydrophobicContact SD-CB 4.49Å; M594-V625 HydrophobicContact SD-CG2 3.76Å; M594-T628 HydrophobicContact CE-CG2 4.22Å; M594-T628 HydrophobicContact CG-CG2 3.53Å; M594-T628 HydrophobicContact SD-CG2 4.37Å; M594-F629 HydrophobicContact CB-CD1 4.27Å; M594-F629 HydrophobicContact CB-CE1 3.66Å; M594-F629 HydrophobicContact CB-CE2 4.49Å; M594-F629 HydrophobicContact CB-CZ 3.8Å
595	S	94.8	Very high	90	Very high	12 Å²	12	54 Å²	54	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-54.3	-43.3	170.3	-67.6	0	0	0	0	111.6	G591 T598 K599 D640	G591-S595 PolarHBondContact O-N 2.83Å; S595-T598 PolarHBondContact O-N 3.47Å; S595-K599 PolarHBondContact O-N 2.84Å; S595-D640 WeakPolarHBondContact CA-OD1 3.44Å; S595-D640 VanDerWaalsContact CB-CG 3.49Å; S595-D640 WeakPolarHBondContact CB-OD1 3.48Å; S595-D640 WeakPolarHBondContact CB-OD2 3.44Å; S595-D640 PolarHBondContact OG-OD1 2.86Å; S595-D640 PolarHBondContact OG-OD2 3.33Å
596	K	94.9	Very high	91.5	Very high	136 Å²	136	54.2 Å²	54.2	59%	0.591	26%	0.259	S	S	*	.	H	α-helix	trans	-66.3	-37.2	173	-173.5	173.9	179.9	178.2	0	113.4	D592 G593 M594 N600	D592-K596 PolarHBondContact O-N 2.81Å; D592-K596 VanDerWaalsContact O-N 3.14Å; G593-K596 PolarHBondContact O-N 2.84Å; M594-K596 VanDerWaalsContact C-N 3.26Å; M594-K596 PolarHBondContact O-N 2.93Å; K596-N600 PolarHBondContact O-N 2.57Å; K596-N600 VanDerWaalsContact O-N 3.08Å
597	V	96.6	Very high	92.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-48.1	173.3	164.3	0	0	0	0	110.9	L574 T577 V578 G593 M594 K599 N600 L601 I621 V625	L574-V597 HydrophobicContact CD1-CB 4.32Å; L574-V597 HydrophobicContact CD1-CG1 4.02Å; L574-V597 HydrophobicContact CD1-CG2 4.12Å; L574-V597 HydrophobicContact CD2-CG1 4.38Å; L574-V597 HydrophobicContact CG-CG1 4.08Å; T577-V597 HydrophobicContact CG2-CG2 4.19Å; V578-V597 HydrophobicContact CG2-CB 4.38Å; V578-V597 HydrophobicContact CG2-CG1 3.67Å; V578-V597 HydrophobicContact CG2-CG2 3.92Å; G593-V597 WeakPolarHBondContact O-CG2 3.31Å; G593-V597 PolarHBondContact O-N 3.26Å; M594-V597 CarbonylContact O-C 3.51Å; M594-V597 WeakPolarHBondContact O-CA 3.34Å; M594-V597 WeakPolarHBondContact O-CB 3.06Å; M594-V597 PolarHBondContact O-N 3.38Å; V597-K599 VanDerWaalsContact C-N 3.33Å; V597-K599 PolarHBondContact O-N 3.04Å; V597-N600 WeakPolarHBondContact O-CB 3.49Å; V597-N600 PolarHBondContact O-N 3.42Å; V597-N600 VanDerWaalsContact O-N 3.09Å; V597-L601 PolarHBondContact O-N 3.49Å; V597-I621 HydrophobicContact CG1-CG2 3.56Å; V597-V625 HydrophobicContact CB-CG2 4.41Å; V597-V625 HydrophobicContact CG1-CG2 3.88Å
598	T	97.1	Very high	92.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-46.4	177.1	-54.5	0	0	0	0	110.6	M594 S595 N600 L601 L602 N643 F644 I647	M594-T598 PolarHBondContact O-N 2.93Å; M594-T598 PolarHBondContact O-OG1 3.08Å; S595-T598 PolarHBondContact O-N 3.47Å; T598-N600 VanDerWaalsContact C-N 3.3Å; T598-N600 PolarHBondContact O-N 2.64Å; T598-L601 PolarHBondContact O-N 2.91Å; T598-L602 PolarHBondContact O-N 2.9Å; T598-N643 HydrophobicContact CG2-CB 3.84Å; T598-F644 HydrophobicContact CG2-CB 4.31Å; T598-I647 HydrophobicContact CG2-CD1 3.71Å; T598-I647 WeakPolarHBondContact O-CD1 3.48Å
599	K	96.9	Very high	92.7	Very high	118 Å²	118	50.4 Å²	50.4	51%	0.513	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-36	176.3	-169.9	163.7	-173.4	160.9	0	113.2	S595 V597 N603	S595-K599 PolarHBondContact O-N 2.84Å; V597-K599 VanDerWaalsContact C-N 3.33Å; V597-K599 PolarHBondContact O-N 3.04Å; K599-N603 VanDerWaalsContact O-CG 3.31Å; K599-N603 PolarHBondContact O-N 3.47Å; K599-N603 PolarHBondContact O-ND2 2.64Å
600	N	96.6	Very high	93.2	Very high	41 Å²	41	47.1 Å²	47.1	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-40.9	173.9	-73.6	-7.2	0	0	0	112.3	L574 K596 V597 T598 L602 N603 Y604	L574-N600 HydrophobicContact CD1-CB 3.82Å; L574-N600 HydrophobicContact CD2-CB 4.19Å; K596-N600 PolarHBondContact O-N 2.57Å; K596-N600 VanDerWaalsContact O-N 3.08Å; V597-N600 WeakPolarHBondContact O-CB 3.49Å; V597-N600 PolarHBondContact O-N 3.42Å; V597-N600 VanDerWaalsContact O-N 3.09Å; T598-N600 VanDerWaalsContact C-N 3.3Å; T598-N600 PolarHBondContact O-N 2.64Å; N600-L602 VanDerWaalsContact C-N 3.3Å; N600-L602 PolarHBondContact O-N 3.29Å; N600-N603 WeakPolarHBondContact O-CB 3.24Å; N600-N603 PolarHBondContact O-N 2.83Å; N600-N603 VanDerWaalsContact O-N 3.15Å; N600-Y604 HydrophobicContact CB-CE2 4.44Å; N600-Y604 WeakPolarHBondContact O-CD2 3.27Å; N600-Y604 PolarHBondContact O-N 2.04Å
601	L	97.3	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-36.3	176.7	-175.9	57.2	0	0	0	111.5	F571 L574 V597 T598 Y604 T605 I621 L622 I647	F571-L601 HydrophobicContact CD1-CD1 3.95Å; F571-L601 HydrophobicContact CE1-CD1 3.61Å; L574-L601 HydrophobicContact CD2-CB 3.77Å; L574-L601 HydrophobicContact CD2-CD1 4.24Å; V597-L601 PolarHBondContact O-N 3.49Å; T598-L601 PolarHBondContact O-N 2.91Å; L601-Y604 PolarHBondContact O-N 3.41Å; L601-T605 HydrophobicContact CD1-CG2 4.05Å; L601-T605 HydrophobicContact CG-CG2 4.33Å; L601-T605 WeakPolarHBondContact O-CB 3.41Å; L601-T605 WeakPolarHBondContact O-CG2 3.22Å; L601-T605 PolarHBondContact O-N 3.47Å; L601-T605 PolarHBondContact O-OG1 3.09Å; L601-I621 HydrophobicContact CD1-CD1 4.4Å; L601-I621 HydrophobicContact CD2-CB 4.15Å; L601-I621 HydrophobicContact CD2-CG2 3.82Å; L601-L622 HydrophobicContact CD2-CD2 3.9Å; L601-L622 HydrophobicContact CD2-CG 3.91Å; L601-I647 HydrophobicContact CB-CD1 3.93Å; L601-I647 HydrophobicContact CD2-CD1 4.11Å; L601-I647 HydrophobicContact CD2-CG2 4.01Å; L601-I647 HydrophobicContact CG-CD1 3.96Å; L601-I647 HydrophobicContact CG-CG1 4.27Å; L601-I647 HydrophobicContact CG-CG2 4.01Å
602	L	97.3	Very high	94	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-51.6	170.2	-178.5	63.7	0	0	0	110.8	T598 N600 Y604 T605 Q606 N643 Q646 I647	T598-L602 PolarHBondContact O-N 2.9Å; N600-L602 VanDerWaalsContact C-N 3.3Å; N600-L602 PolarHBondContact O-N 3.29Å; L602-Y604 VanDerWaalsContact C-N 3.26Å; L602-Y604 PolarHBondContact O-N 3.16Å; L602-T605 PolarHBondContact O-N 2.81Å; L602-T605 PolarHBondContact O-OG1 2.82Å; L602-Q606 WeakPolarHBondContact O-CG 3.17Å; L602-Q606 PolarHBondContact O-N 2.87Å; L602-N643 HydrophobicContact CD2-CB 4.18Å; L602-N643 WeakPolarHBondContact CD2-OD1 3.21Å; L602-Q646 HydrophobicContact CD1-CB 3.87Å; L602-Q646 HydrophobicContact CD1-CG 3.66Å; L602-I647 HydrophobicContact CB-CD1 4.21Å; L602-I647 HydrophobicContact CB-CG1 3.91Å; L602-I647 HydrophobicContact CD1-CG1 4.07Å
603	N	95.5	Very high	94.3	Very high	89 Å²	89	45.4 Å²	45.4	48%	0.476	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-35.5	179.6	-65.4	-24.9	0	0	0	113	K599 N600 P607	K599-N603 VanDerWaalsContact O-CG 3.31Å; K599-N603 PolarHBondContact O-N 3.47Å; K599-N603 PolarHBondContact O-ND2 2.64Å; N600-N603 WeakPolarHBondContact O-CB 3.24Å; N600-N603 PolarHBondContact O-N 2.83Å; N600-N603 VanDerWaalsContact O-N 3.15Å; N603-P607 WeakPolarHBondContact O-CD 3.44Å
604	Y	93.9	Very high	94.5	Very high	72 Å²	72	45.3 Å²	45.3	28%	0.282	22%	0.218	S	C	.	.	H	α-helix	trans	-80.6	-17.7	177	-58.4	-32.5	0	0	0	114.2	E570 L574 N600 L601 L602 P607	E570-Y604 HydrophobicContact CB-CD1 4.17Å; E570-Y604 HydrophobicContact CB-CD2 4.13Å; E570-Y604 HydrophobicContact CB-CE1 4.03Å; E570-Y604 HydrophobicContact CB-CE2 3.98Å; E570-Y604 HydrophobicContact CB-CG 4.23Å; E570-Y604 HydrophobicContact CG-CD1 4.41Å; E570-Y604 HydrophobicContact CG-CE1 4.07Å; L574-Y604 HydrophobicContact CB-CE2 4.37Å; L574-Y604 HydrophobicContact CD2-CD2 3.97Å; L574-Y604 HydrophobicContact CD2-CE2 4.11Å; N600-Y604 HydrophobicContact CB-CE2 4.44Å; N600-Y604 WeakPolarHBondContact O-CD2 3.27Å; N600-Y604 PolarHBondContact O-N 2.04Å; L601-Y604 PolarHBondContact O-N 3.41Å; L602-Y604 VanDerWaalsContact C-N 3.26Å; L602-Y604 PolarHBondContact O-N 3.16Å; Y604-P607 WeakPolarHBondContact O-CD 3.33Å
605	T	95.1	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-92.3	-22.6	176.7	57.6	0	0	0	0	113.5	F571 L601 L602 P607 R608 F610 I647 N650 L651	F571-T605 HydrophobicContact CE1-CG2 4.37Å; F571-T605 HydrophobicContact CZ-CG2 4.5Å; L601-T605 HydrophobicContact CD1-CG2 4.05Å; L601-T605 HydrophobicContact CG-CG2 4.33Å; L601-T605 WeakPolarHBondContact O-CB 3.41Å; L601-T605 WeakPolarHBondContact O-CG2 3.22Å; L601-T605 PolarHBondContact O-N 3.47Å; L601-T605 PolarHBondContact O-OG1 3.09Å; L602-T605 PolarHBondContact O-N 2.81Å; L602-T605 PolarHBondContact O-OG1 2.82Å; T605-P607 VanDerWaalsContact C-CD 3.46Å; T605-R608 PolarHBondContact O-N 3.02Å; T605-F610 HydrophobicContact CG2-CE1 3.65Å; T605-F610 HydrophobicContact CG2-CZ 3.89Å; T605-I647 HydrophobicContact CG2-CG2 4.06Å; T605-N650 PolarHBondContact OG1-ND2 3.46Å; T605-N650 VanDerWaalsContact OG1-ND2 3.09Å; T605-L651 HydrophobicContact CG2-CD2 4.34Å
606	Q	91.7	Very high	94.7	Very high	94 Å²	94	46.1 Å²	46.1	44%	0.439	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.7	174.5	-71.9	-61	-33.7	0	0	114.8	L602 R608 N650	L602-Q606 WeakPolarHBondContact O-CG 3.17Å; L602-Q606 PolarHBondContact O-N 2.87Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 2.91Å; Q606-N650 PolarHBondContact NE2-ND2 2.88Å
607	P	88.6	Confident	94.7	Very high	77 Å²	77	39.7 Å²	39.7	50%	0.5	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.6	-179.2	-18.8	33.8	0	0	0	115.8	N603 Y604 T605 N609	N603-P607 WeakPolarHBondContact O-CD 3.44Å; Y604-P607 WeakPolarHBondContact O-CD 3.33Å; T605-P607 VanDerWaalsContact C-CD 3.46Å; P607-N609 PolarHBondContact O-N 3.39Å; P607-N609 PolarHBondContact O-ND2 2.82Å
608	R	85.2	Confident	94.8	Very high	78 Å²	78	39.6 Å²	39.6	29%	0.294	19%	0.193	S	C	.	.			trans	59.1	-4.6	176.9	-60.5	165.7	-174.5	-119.3	-18.7	117.5	T605 Q606 F610 E653 K659	T605-R608 PolarHBondContact O-N 3.02Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 2.91Å; R608-F610 WeakPolarHBondContact O-CD2 3.35Å; R608-F610 PolarHBondContact O-N 3.11Å; R608-E653 IonicContact CZ-OE1 3.17Å; R608-E653 IonicContact NH1-OE1 2.69Å; R608-E653 PolarHBondContact NH1-OE1 3.24Å; R608-E653 IonicContact NH1-OE2 2.57Å; R608-E653 IonicContact NH2-OE1 3.75Å; R608-E653 PolarHBondContact NH2-OE1 3.38Å; R608-K659 PolarHBondContact O-NZ 2.72Å
609	N	88.4	Confident	94.8	Very high	144 Å²	144	39.6 Å²	39.6	77%	0.77	19%	0.193	S	C	*	.			trans	-79.1	59.5	-178.8	-70.5	-33.9	0	0	0	113.2	P607	P607-N609 PolarHBondContact O-N 3.39Å; P607-N609 PolarHBondContact O-ND2 2.82Å
610	F	94.5	Very high	94.7	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.053	18%	0.182	C	C	.	.			trans	-81.2	142.7	175.9	-49.8	-74	0	0	0	113	F571 T605 R608 D614 L615 L651 N656 K659	F571-F610 HydrophobicContact CZ-CD1 4.06Å; F571-F610 AromaticContact CZ-CE1 3.99Å; F571-F610 HydrophobicContact CZ-CE1 3.99Å; T605-F610 HydrophobicContact CG2-CE1 3.65Å; T605-F610 HydrophobicContact CG2-CZ 3.89Å; R608-F610 WeakPolarHBondContact O-CD2 3.35Å; R608-F610 PolarHBondContact O-N 3.11Å; F610-D614 HydrophobicContact CB-CB 4.21Å; F610-D614 HydrophobicContact CD1-CB 4.2Å; F610-L615 HydrophobicContact CB-CD2 4.03Å; F610-L615 HydrophobicContact CB-CG 4.28Å; F610-L615 HydrophobicContact CD1-CD2 4.25Å; F610-L615 HydrophobicContact CD2-CD2 3.96Å; F610-L615 HydrophobicContact CE2-CD2 4.49Å; F610-L615 HydrophobicContact CG-CD2 3.83Å; F610-L651 HydrophobicContact CE1-CD2 4.1Å; F610-L651 HydrophobicContact CZ-CD2 4.12Å; F610-N656 WeakPolarHBondContact CD2-OD1 3.25Å; F610-K659 HydrophobicContact CB-CD 4.29Å; F610-K659 WeakPolarHBondContact O-CD 3.47Å; F610-K659 WeakPolarHBondContact O-CE 3.01Å
611	Y	95.9	Very high	94.7	Very high	49 Å²	49	34.8 Å²	34.8	19%	0.192	17%	0.171	C	C	.	.			trans	-79.8	164	147.1	-65.9	-69.9	0	0	0	110.7	P537 N539 A540 Y563 C566 T568 G613 D614 L615	P537-Y611 HydrophobicContact CG-CE1 4.29Å; N539-Y611 WeakPolarHBondContact ND2-CE2 3.17Å; N539-Y611 PolarHBondContact ND2-OH 2.89Å; N539-Y611 VanDerWaalsContact ND2-OH 3.13Å; N539-Y611 PolarHBondContact OD1-OH 2.84Å; A540-Y611 HydrophobicContact CB-CD2 4Å; A540-Y611 HydrophobicContact CB-CE2 3.71Å; Y563-Y611 AromaticContact CD1-CD1 3.53Å; Y563-Y611 HydrophobicContact CD1-CD1 3.53Å; Y563-Y611 AromaticContact CD1-CE1 3.71Å; Y563-Y611 HydrophobicContact CD1-CE1 3.71Å; Y563-Y611 HydrophobicContact CE1-CD1 4.31Å; Y563-Y611 HydrophobicContact CE1-CE1 4.05Å; Y563-Y611 AromaticContact CG-CD1 3.92Å; Y563-Y611 HydrophobicContact CG-CD1 3.92Å; Y563-Y611 HydrophobicContact CG-CE1 4.45Å; C566-Y611 HydrophobicContact CB-CD2 4.4Å; C566-Y611 HydrophobicContact CB-CG 4.16Å; C566-Y611 WeakPolarHBondContact O-CB 3.33Å; T568-Y611 VanDerWaalsContact OG1-CD2 3.31Å; T568-Y611 WeakPolarHBondContact OG1-CD2 3.36Å; Y611-G613 PolarHBondContact O-N 3.44Å; Y611-D614 PolarHBondContact N-OD2 2.98Å; Y611-D614 WeakPolarHBondContact O-CB 3.36Å; Y611-D614 PolarHBondContact O-N 3.47Å; Y611-L615 PolarHBondContact O-N 3.48Å
612	A	96.3	Very high	94.8	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-35.4	173.9	0	0	0	0	0	112.9	A564 D614 L615 L616 K659 D662 A663	A564-A612 HydrophobicContact CB-CB 4.32Å; A612-D614 VanDerWaalsContact C-N 3.35Å; A612-D614 PolarHBondContact O-N 3.12Å; A612-L615 PolarHBondContact O-N 2.88Å; A612-L616 PolarHBondContact O-N 2.96Å; A612-K659 HydrophobicContact CB-CB 4.43Å; A612-K659 WeakPolarHBondContact CB-O 3.41Å; A612-D662 HydrophobicContact CB-CB 4.01Å; A612-A663 HydrophobicContact CB-CB 4.14Å
613	G	96	Very high	94.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-23.5	173.7	0	0	0	0	0	114.9	Y563 A564 C566 Y611 L615 L616 S617	Y563-G613 PolarHBondContact O-N 2.8Å; A564-G613 VanDerWaalsContact O-CA 3.26Å; A564-G613 WeakPolarHBondContact O-CA 3.48Å; C566-G613 CarbonylContact O-C 3.55Å; C566-G613 VanDerWaalsContact O-CA 3.24Å; C566-G613 WeakPolarHBondContact O-CA 3.4Å; C566-G613 PolarHBondContact O-N 2.97Å; Y611-G613 PolarHBondContact O-N 3.44Å; G613-L615 VanDerWaalsContact C-N 3.35Å; G613-L616 PolarHBondContact O-N 2.94Å; G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 3.08Å
614	D	96.9	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.1	-30.9	173.9	-63.8	-44.3	0	0	0	111.7	I567 T568 F571 F610 Y611 A612 S618	I567-D614 WeakPolarHBondContact CA-OD1 3Å; T568-D614 WeakPolarHBondContact CB-OD1 3.44Å; T568-D614 PolarHBondContact N-OD1 2.83Å; T568-D614 PolarHBondContact OG1-OD1 3.05Å; T568-D614 PolarHBondContact OG1-OD2 2.74Å; F571-D614 HydrophobicContact CD2-CB 4.18Å; F571-D614 WeakPolarHBondContact CD2-OD1 3.48Å; F571-D614 HydrophobicContact CE2-CB 4.19Å; F571-D614 HydrophobicContact CG-CB 4.38Å; F571-D614 HydrophobicContact CZ-CB 4.39Å; F610-D614 HydrophobicContact CB-CB 4.21Å; F610-D614 HydrophobicContact CD1-CB 4.2Å; Y611-D614 PolarHBondContact N-OD2 2.98Å; Y611-D614 WeakPolarHBondContact O-CB 3.36Å; Y611-D614 PolarHBondContact O-N 3.47Å; A612-D614 VanDerWaalsContact C-N 3.35Å; A612-D614 PolarHBondContact O-N 3.12Å; D614-S618 WeakPolarHBondContact O-CB 3.04Å; D614-S618 PolarHBondContact O-N 2.97Å; D614-S618 PolarHBondContact O-OG 3.03Å
615	L	97	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-48.4	172.5	-58.7	175.4	0	0	0	110.3	F610 Y611 A612 G613 S617 S618 V619 L651 N656 K659 W660	F610-L615 HydrophobicContact CB-CD2 4.03Å; F610-L615 HydrophobicContact CB-CG 4.28Å; F610-L615 HydrophobicContact CD1-CD2 4.25Å; F610-L615 HydrophobicContact CD2-CD2 3.96Å; F610-L615 HydrophobicContact CE2-CD2 4.49Å; F610-L615 HydrophobicContact CG-CD2 3.83Å; Y611-L615 PolarHBondContact O-N 3.48Å; A612-L615 PolarHBondContact O-N 2.88Å; G613-L615 VanDerWaalsContact C-N 3.35Å; L615-S617 PolarHBondContact O-N 3.3Å; L615-S618 WeakPolarHBondContact O-CB 3.27Å; L615-S618 PolarHBondContact O-N 2.76Å; L615-V619 WeakPolarHBondContact O-CG2 3.48Å; L615-V619 PolarHBondContact O-N 3.35Å; L615-L651 HydrophobicContact CD2-CD2 3.61Å; L615-N656 HydrophobicContact CD1-CB 4.42Å; L615-K659 HydrophobicContact CD1-CB 3.55Å; L615-W660 HydrophobicContact CB-CH2 4.46Å; L615-W660 HydrophobicContact CB-CZ2 4.37Å; L615-W660 HydrophobicContact CD1-CD2 3.94Å; L615-W660 HydrophobicContact CD1-CG 3.9Å
616	L	96.3	Very high	94.8	Very high	30 Å²	30	30.9 Å²	30.9	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-48.6	174	-62	-179.1	0	0	0	111.6	A612 G613 S618 V619 E620 A663 I666 Y667 A669	A612-L616 PolarHBondContact O-N 2.96Å; G613-L616 PolarHBondContact O-N 2.94Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 3.19Å; L616-V619 PolarHBondContact O-N 3Å; L616-E620 PolarHBondContact O-N 3.36Å; L616-A663 HydrophobicContact CD1-CB 4.37Å; L616-A663 HydrophobicContact CD2-CB 3.86Å; L616-A663 HydrophobicContact CG-CB 3.93Å; L616-I666 HydrophobicContact CD1-CD1 3.73Å; L616-I666 HydrophobicContact CD1-CG1 3.88Å; L616-Y667 HydrophobicContact CD2-CD1 4.48Å; L616-A669 HydrophobicContact CD2-CB 3.38Å
617	S	96.4	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-38.2	177.4	-173.5	0	0	0	0	112.1	Q575 G613 L615 E620 I621	Q575-S617 PolarHBondContact NE2-OG 2.81Å; G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 3.08Å; L615-S617 PolarHBondContact O-N 3.3Å; S617-E620 PolarHBondContact O-N 3.22Å; S617-I621 WeakPolarHBondContact O-CD1 3.44Å; S617-I621 WeakPolarHBondContact O-CG1 3.38Å; S617-I621 PolarHBondContact O-N 2.91Å
618	S	97.4	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-44.9	176.9	-59.7	0	0	0	0	112.4	F571 D614 L615 L616 E620 I621 L622	F571-S618 VanDerWaalsContact CE1-OG 3.29Å; F571-S618 WeakPolarHBondContact CE1-OG 3.42Å; D614-S618 WeakPolarHBondContact O-CB 3.04Å; D614-S618 PolarHBondContact O-N 2.97Å; D614-S618 PolarHBondContact O-OG 3.03Å; L615-S618 WeakPolarHBondContact O-CB 3.27Å; L615-S618 PolarHBondContact O-N 2.76Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 3.19Å; S618-E620 VanDerWaalsContact C-N 3.35Å; S618-I621 PolarHBondContact O-N 3.2Å; S618-L622 VanDerWaalsContact O-CG 3.3Å; S618-L622 WeakPolarHBondContact O-CG 3.37Å; S618-L622 PolarHBondContact O-N 2.79Å
619	V	97.5	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-42.3	175.5	-177.7	0	0	0	0	110.7	L615 L616 I621 L622 R623 W660 A669 E672 L673	L615-V619 WeakPolarHBondContact O-CG2 3.48Å; L615-V619 PolarHBondContact O-N 3.35Å; L616-V619 PolarHBondContact O-N 3Å; V619-I621 PolarHBondContact O-N 3.14Å; V619-L622 PolarHBondContact O-N 2.82Å; V619-R623 PolarHBondContact O-N 3.34Å; V619-W660 HydrophobicContact CG2-CH2 3.75Å; V619-W660 HydrophobicContact CG2-CZ3 4.41Å; V619-A669 HydrophobicContact CB-CB 4.42Å; V619-A669 HydrophobicContact CG2-CB 4.21Å; V619-E672 HydrophobicContact CG1-CB 4.09Å; V619-E672 HydrophobicContact CG1-CG 3.91Å; V619-E672 WeakPolarHBondContact CG1-OE2 3.39Å; V619-L673 HydrophobicContact CG1-CB 4.13Å; V619-L673 HydrophobicContact CG2-CB 4.07Å; V619-L673 HydrophobicContact CG2-CD1 4.23Å; V619-L673 HydrophobicContact CG2-CD2 4.33Å; V619-L673 HydrophobicContact CG2-CG 4.45Å
620	E	95.8	Very high	95.8	Very high	59 Å²	59	20.9 Å²	20.9	28%	0.276	10%	0.095	S	C	.	.	H	α-helix	trans	-60.9	-43.7	177.1	-161.7	-142.4	140.5	0	0	112.1	Q575 L616 S617 S618 R623 N624	Q575-E620 PolarHBondContact NE2-OE2 2.91Å; L616-E620 PolarHBondContact O-N 3.36Å; S617-E620 PolarHBondContact O-N 3.22Å; S618-E620 VanDerWaalsContact C-N 3.35Å; E620-R623 VanDerWaalsContact CG-NH2 3.28Å; E620-R623 PolarHBondContact O-N 3.27Å; E620-N624 WeakPolarHBondContact O-CB 3.39Å; E620-N624 PolarHBondContact O-N 2.8Å; E620-N624 PolarHBondContact O-ND2 2.71Å; E620-N624 VanDerWaalsContact O-ND2 3.14Å; E620-N624 PolarHBondContact OE1-ND2 2.82Å
621	I	96.5	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-46	175.2	-67.8	161.5	0	0	0	110.5	L574 Q575 V578 V597 L601 S617 S618 V619 R623 N624 V625	L574-I621 HydrophobicContact CB-CD1 4.21Å; L574-I621 HydrophobicContact CD2-CD1 4.2Å; L574-I621 HydrophobicContact CG-CD1 4.22Å; Q575-I621 HydrophobicContact CG-CD1 4.02Å; Q575-I621 HydrophobicContact CG-CG1 3.87Å; V578-I621 HydrophobicContact CG2-CG2 4.25Å; V597-I621 HydrophobicContact CG1-CG2 3.56Å; L601-I621 HydrophobicContact CD1-CD1 4.4Å; L601-I621 HydrophobicContact CD2-CB 4.15Å; L601-I621 HydrophobicContact CD2-CG2 3.82Å; S617-I621 WeakPolarHBondContact O-CD1 3.44Å; S617-I621 WeakPolarHBondContact O-CG1 3.38Å; S617-I621 PolarHBondContact O-N 2.91Å; S618-I621 PolarHBondContact O-N 3.2Å; V619-I621 PolarHBondContact O-N 3.14Å; I621-R623 PolarHBondContact O-N 3.28Å; I621-N624 PolarHBondContact O-N 2.86Å; I621-V625 HydrophobicContact CG2-CG2 4.31Å; I621-V625 WeakPolarHBondContact O-CB 3.5Å; I621-V625 VanDerWaalsContact O-CG2 3.28Å; I621-V625 WeakPolarHBondContact O-CG2 3.29Å; I621-V625 PolarHBondContact O-N 2.81Å
622	L	97.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-41.7	178.3	-69.5	171.8	0	0	0	111.9	L601 S618 V619 V625 T626 F644 I647 I648 L651 L673 V676	L601-L622 HydrophobicContact CD2-CD2 3.9Å; L601-L622 HydrophobicContact CD2-CG 3.91Å; S618-L622 VanDerWaalsContact O-CG 3.3Å; S618-L622 WeakPolarHBondContact O-CG 3.37Å; S618-L622 PolarHBondContact O-N 2.79Å; V619-L622 PolarHBondContact O-N 2.82Å; L622-V625 PolarHBondContact O-N 2.84Å; L622-T626 WeakPolarHBondContact O-CB 3.43Å; L622-T626 PolarHBondContact O-N 3.32Å; L622-T626 PolarHBondContact O-OG1 2.03Å; L622-F644 HydrophobicContact CB-CE2 4.27Å; L622-F644 HydrophobicContact CD2-CD2 3.68Å; L622-F644 HydrophobicContact CD2-CE2 3.73Å; L622-F644 HydrophobicContact CD2-CG 4.5Å; L622-I647 HydrophobicContact CD1-CG2 3.98Å; L622-I647 HydrophobicContact CD2-CD1 4.23Å; L622-I647 HydrophobicContact CD2-CG2 4.28Å; L622-I647 HydrophobicContact CG-CG2 4.49Å; L622-I648 HydrophobicContact CD1-CG1 4.18Å; L622-L651 HydrophobicContact CD1-CD1 4.11Å; L622-L673 HydrophobicContact CD1-CD1 4.12Å; L622-V676 HydrophobicContact CB-CG1 3.9Å
623	R	96.7	Very high	94.9	Very high	64 Å²	64	31.3 Å²	31.3	24%	0.242	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-51.7	173.6	-171.2	-169.3	69.7	-118.3	-13.6	111.1	V619 E620 I621 V625 T626 E627 E672 V676	V619-R623 PolarHBondContact O-N 3.34Å; E620-R623 VanDerWaalsContact CG-NH2 3.28Å; E620-R623 PolarHBondContact O-N 3.27Å; I621-R623 PolarHBondContact O-N 3.28Å; R623-V625 VanDerWaalsContact C-N 3.28Å; R623-V625 PolarHBondContact O-N 2.79Å; R623-T626 PolarHBondContact O-N 3.27Å; R623-E627 IonicContact NE-OE1 3.87Å; R623-E627 WeakPolarHBondContact O-CB 3.38Å; R623-E627 PolarHBondContact O-N 2.82Å; R623-E672 VanDerWaalsContact CD-OE1 3.27Å; R623-E672 WeakPolarHBondContact CD-OE1 3.48Å; R623-E672 IonicContact CZ-OE1 2.8Å; R623-E672 IonicContact NE-OE1 3.27Å; R623-E672 IonicContact NH1-OE1 2.71Å; R623-E672 PolarHBondContact NH1-OE1 3.14Å; R623-E672 IonicContact NH1-OE2 3.18Å; R623-V676 HydrophobicContact CB-CG2 3.58Å; R623-V676 HydrophobicContact CG-CG2 3.82Å
624	N	95	Very high	94.7	Very high	33 Å²	33	33.4 Å²	33.4	18%	0.176	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-37	-178.9	-65.4	-23.2	0	0	0	111.4	V578 E620 I621 T628	V578-N624 HydrophobicContact CG1-CB 3.95Å; E620-N624 WeakPolarHBondContact O-CB 3.39Å; E620-N624 PolarHBondContact O-N 2.8Å; E620-N624 PolarHBondContact O-ND2 2.71Å; E620-N624 VanDerWaalsContact O-ND2 3.14Å; E620-N624 PolarHBondContact OE1-ND2 2.82Å; I621-N624 PolarHBondContact O-N 2.86Å; N624-T628 WeakPolarHBondContact O-CB 3.31Å; N624-T628 PolarHBondContact O-N 2.84Å; N624-T628 VanDerWaalsContact O-N 3.07Å; N624-T628 PolarHBondContact O-OG1 2.99Å
625	V	95.5	Very high	94.5	Very high	1 Å²	1	40 Å²	40	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-53.2	171.5	159.2	0	0	0	0	111.4	M594 V597 I621 L622 R623 E627 T628 F629	M594-V625 HydrophobicContact CB-CB 4.5Å; M594-V625 HydrophobicContact CB-CG1 4.21Å; M594-V625 HydrophobicContact CB-CG2 4.14Å; M594-V625 HydrophobicContact CG-CG2 4.32Å; M594-V625 HydrophobicContact SD-CB 4.49Å; M594-V625 HydrophobicContact SD-CG2 3.76Å; V597-V625 HydrophobicContact CB-CG2 4.41Å; V597-V625 HydrophobicContact CG1-CG2 3.88Å; I621-V625 HydrophobicContact CG2-CG2 4.31Å; I621-V625 WeakPolarHBondContact O-CB 3.5Å; I621-V625 VanDerWaalsContact O-CG2 3.28Å; I621-V625 WeakPolarHBondContact O-CG2 3.29Å; I621-V625 PolarHBondContact O-N 2.81Å; L622-V625 PolarHBondContact O-N 2.84Å; R623-V625 VanDerWaalsContact C-N 3.28Å; R623-V625 PolarHBondContact O-N 2.79Å; V625-E627 PolarHBondContact O-N 3.06Å; V625-T628 WeakPolarHBondContact O-CB 3.38Å; V625-T628 PolarHBondContact O-N 3.28Å; V625-T628 VanDerWaalsContact O-N 3.09Å; V625-F629 HydrophobicContact CG1-CD2 3.82Å; V625-F629 HydrophobicContact CG1-CE2 3.38Å; V625-F629 HydrophobicContact CG1-CZ 4.07Å; V625-F629 PolarHBondContact O-N 3.05Å
626	T	96.3	Very high	94.4	Very high	2 Å²	2	41 Å²	41	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-178.4	-64	0	0	0	0	111.8	L622 R623 T628 F629 K630 F644 E679 F680 I683	L622-T626 WeakPolarHBondContact O-CB 3.43Å; L622-T626 PolarHBondContact O-N 3.32Å; L622-T626 PolarHBondContact O-OG1 2.03Å; R623-T626 PolarHBondContact O-N 3.27Å; T626-T628 VanDerWaalsContact C-N 3.29Å; T626-T628 PolarHBondContact O-N 3.46Å; T626-F629 PolarHBondContact O-N 3.15Å; T626-K630 PolarHBondContact O-N 3.15Å; T626-F644 WeakPolarHBondContact OG1-CE2 3.39Å; T626-E679 HydrophobicContact CG2-CB 3.86Å; T626-E679 HydrophobicContact CG2-CG 3.67Å; T626-F680 HydrophobicContact CG2-CB 3.96Å; T626-I683 HydrophobicContact CG2-CD1 3.66Å; T626-I683 WeakPolarHBondContact O-CD1 3.41Å
627	E	93.5	Very high	94.3	Very high	61 Å²	61	42 Å²	42	29%	0.285	20%	0.204	S	C	.	.	H	α-helix	trans	-59.8	-38.4	172.7	-77.7	-164.8	-118	0	0	112.5	R623 V625 K630 R631	R623-E627 IonicContact NE-OE1 3.87Å; R623-E627 WeakPolarHBondContact O-CB 3.38Å; R623-E627 PolarHBondContact O-N 2.82Å; V625-E627 PolarHBondContact O-N 3.06Å; E627-K630 PolarHBondContact O-N 3.04Å; E627-R631 VanDerWaalsContact O-CB 3.31Å; E627-R631 WeakPolarHBondContact O-CB 3.34Å; E627-R631 WeakPolarHBondContact O-CD 3.38Å; E627-R631 WeakPolarHBondContact O-CG 3.04Å; E627-R631 PolarHBondContact O-N 2.9Å; E627-R631 IonicContact OE2-CZ 2.72Å; E627-R631 IonicContact OE2-NE 3.33Å; E627-R631 PolarHBondContact OE2-NE 3.27Å; E627-R631 IonicContact OE2-NH2 2.64Å; E627-R631 PolarHBondContact OE2-NH2 3.37Å
628	T	92.3	Very high	94.1	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-45.2	178.7	-59	0	0	0	0	111.3	L582 A590 M594 N624 V625 T626 K630 R631 A632	L582-T628 HydrophobicContact CD2-CG2 4.16Å; L582-T628 WeakPolarHBondContact CD2-OG1 3.17Å; A590-T628 HydrophobicContact CB-CG2 4.11Å; M594-T628 HydrophobicContact CE-CG2 4.22Å; M594-T628 HydrophobicContact CG-CG2 3.53Å; M594-T628 HydrophobicContact SD-CG2 4.37Å; N624-T628 WeakPolarHBondContact O-CB 3.31Å; N624-T628 PolarHBondContact O-N 2.84Å; N624-T628 VanDerWaalsContact O-N 3.07Å; N624-T628 PolarHBondContact O-OG1 2.99Å; V625-T628 WeakPolarHBondContact O-CB 3.38Å; V625-T628 PolarHBondContact O-N 3.28Å; V625-T628 VanDerWaalsContact O-N 3.09Å; T626-T628 VanDerWaalsContact C-N 3.29Å; T626-T628 PolarHBondContact O-N 3.46Å; T628-K630 VanDerWaalsContact C-N 3.33Å; T628-K630 PolarHBondContact O-N 3.21Å; T628-R631 PolarHBondContact O-N 2.87Å; T628-A632 WeakPolarHBondContact O-CB 3.45Å; T628-A632 PolarHBondContact O-N 3.06Å
629	F	94.1	Very high	94	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-44.8	174.5	-68.1	-41.7	0	0	0	111.3	G591 M594 V625 T626 A632 S633 Y634 P636 F680 I683	G591-F629 WeakPolarHBondContact O-CE1 3.27Å; M594-F629 HydrophobicContact CB-CD1 4.27Å; M594-F629 HydrophobicContact CB-CE1 3.66Å; M594-F629 HydrophobicContact CB-CE2 4.49Å; M594-F629 HydrophobicContact CB-CZ 3.8Å; V625-F629 HydrophobicContact CG1-CD2 3.82Å; V625-F629 HydrophobicContact CG1-CE2 3.38Å; V625-F629 HydrophobicContact CG1-CZ 4.07Å; V625-F629 PolarHBondContact O-N 3.05Å; T626-F629 PolarHBondContact O-N 3.15Å; F629-A632 PolarHBondContact O-N 3.23Å; F629-S633 PolarHBondContact O-N 3.09Å; F629-Y634 AromaticContact CD1-CD1 3.41Å; F629-Y634 HydrophobicContact CD1-CD1 3.41Å; F629-Y634 VanDerWaalsContact CD1-CD1 3.41Å; F629-Y634 HydrophobicContact CD1-CE1 4.13Å; F629-Y634 HydrophobicContact CD1-CG 4.02Å; F629-Y634 AromaticContact CE1-CD1 3.49Å; F629-Y634 HydrophobicContact CE1-CD1 3.49Å; F629-Y634 VanDerWaalsContact CE1-CD1 3.49Å; F629-Y634 AromaticContact CE1-CE1 3.71Å; F629-Y634 HydrophobicContact CE1-CE1 3.71Å; F629-Y634 HydrophobicContact CE1-CG 4.39Å; F629-Y634 HydrophobicContact CG-CD1 4.44Å; F629-Y634 PolarHBondContact O-N 2.92Å; F629-P636 HydrophobicContact CE2-CB 4.43Å; F629-F680 HydrophobicContact CD2-CD2 4.39Å; F629-F680 AromaticContact CD2-CE2 3.94Å; F629-F680 HydrophobicContact CD2-CE2 3.94Å; F629-F680 AromaticContact CE2-CE2 3.96Å; F629-F680 HydrophobicContact CE2-CE2 3.96Å; F629-I683 HydrophobicContact CB-CD1 4.23Å; F629-I683 HydrophobicContact CB-CG2 4.23Å
630	K	93.1	Very high	94	Very high	114 Å²	114	51.9 Å²	51.9	50%	0.496	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-51.1	175.5	-173.4	177.1	-178.7	-176.7	0	112.5	T626 E627 T628 A632 S633 E679 I683	T626-K630 PolarHBondContact O-N 3.15Å; E627-K630 PolarHBondContact O-N 3.04Å; T628-K630 VanDerWaalsContact C-N 3.33Å; T628-K630 PolarHBondContact O-N 3.21Å; K630-A632 VanDerWaalsContact C-N 3.32Å; K630-A632 PolarHBondContact O-N 3.36Å; K630-S633 PolarHBondContact O-N 2.81Å; K630-E679 WeakPolarHBondContact CD-OE1 3.35Å; K630-E679 WeakPolarHBondContact CE-OE1 3.36Å; K630-E679 IonicContact NZ-OE1 3.93Å; K630-E679 PolarHBondContact NZ-OE1 2.03Å; K630-I683 HydrophobicContact CB-CD1 3.84Å; K630-I683 HydrophobicContact CB-CG1 4.25Å
631	R	90.6	Very high	94	Very high	178 Å²	178	49.5 Å²	49.5	67%	0.672	25%	0.254	S	S	*	.	H	α-helix	trans	-66.5	-30.6	-179.3	-68.9	166	-174.2	-139.7	9.5	112.9	E627 T628	E627-R631 VanDerWaalsContact O-CB 3.31Å; E627-R631 WeakPolarHBondContact O-CB 3.34Å; E627-R631 WeakPolarHBondContact O-CD 3.38Å; E627-R631 WeakPolarHBondContact O-CG 3.04Å; E627-R631 PolarHBondContact O-N 2.9Å; E627-R631 IonicContact OE2-CZ 2.72Å; E627-R631 IonicContact OE2-NE 3.33Å; E627-R631 PolarHBondContact OE2-NE 3.27Å; E627-R631 IonicContact OE2-NH2 2.64Å; E627-R631 PolarHBondContact OE2-NH2 3.37Å; T628-R631 PolarHBondContact O-N 2.87Å
632	A	89.2	Confident	94	Very high	11 Å²	11	53.4 Å²	53.4	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-82.3	-16.1	176.5	0	0	0	0	0	113.3	R587 T628 F629 K630 Y634	R587-A632 HydrophobicContact CB-CB 4.08Å; R587-A632 WeakPolarHBondContact CD-O 3.46Å; T628-A632 WeakPolarHBondContact O-CB 3.45Å; T628-A632 PolarHBondContact O-N 3.06Å; F629-A632 PolarHBondContact O-N 3.23Å; K630-A632 VanDerWaalsContact C-N 3.32Å; K630-A632 PolarHBondContact O-N 3.36Å; A632-Y634 VanDerWaalsContact C-N 3.26Å
633	S	89.3	Confident	94	Very high	95 Å²	95	54.6 Å²	54.6	66%	0.664	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	44.1	-165	-47.8	0	0	0	0	111.6	F629 K630	F629-S633 PolarHBondContact O-N 3.09Å; K630-S633 PolarHBondContact O-N 2.81Å
634	Y	91.9	Very high	94.1	Very high	44 Å²	44	51.6 Å²	51.6	17%	0.173	27%	0.267	C	S	.	.			trans	-94.7	126.5	-177.7	-173.8	-89.1	0	0	0	110.4	D592 F629 A632 P636	D592-Y634 VanDerWaalsContact OD1-CE2 3.3Å; D592-Y634 WeakPolarHBondContact OD1-CE2 3.28Å; D592-Y634 PolarHBondContact OD1-OH 3.46Å; F629-Y634 AromaticContact CD1-CD1 3.41Å; F629-Y634 HydrophobicContact CD1-CD1 3.41Å; F629-Y634 VanDerWaalsContact CD1-CD1 3.41Å; F629-Y634 HydrophobicContact CD1-CE1 4.13Å; F629-Y634 HydrophobicContact CD1-CG 4.02Å; F629-Y634 AromaticContact CE1-CD1 3.49Å; F629-Y634 HydrophobicContact CE1-CD1 3.49Å; F629-Y634 VanDerWaalsContact CE1-CD1 3.49Å; F629-Y634 AromaticContact CE1-CE1 3.71Å; F629-Y634 HydrophobicContact CE1-CE1 3.71Å; F629-Y634 HydrophobicContact CE1-CG 4.39Å; F629-Y634 HydrophobicContact CG-CD1 4.44Å; F629-Y634 PolarHBondContact O-N 2.92Å; A632-Y634 VanDerWaalsContact C-N 3.26Å; Y634-P636 WeakPolarHBondContact O-CD 3.29Å
635	E	92.5	Very high	94.2	Very high	139 Å²	139	50 Å²	50	65%	0.65	26%	0.258	S	S	*	.			trans	-83.7	111.9	175.8	-66.2	176.3	-174.5	0	0	109.1
636	P	93.8	Very high	94.3	Very high	20 Å²	20	53 Å²	53	13%	0.13	27%	0.272	C	S	.	.			trans	-68.8	142.5	-178.3	29.2	-35.6	0	0	0	111.1	F629 Y634 D640 V641 F680 I683 V684	F629-P636 HydrophobicContact CE2-CB 4.43Å; Y634-P636 WeakPolarHBondContact O-CD 3.29Å; P636-D640 HydrophobicContact CB-CB 4.13Å; P636-V641 HydrophobicContact CB-CG2 4.27Å; P636-V641 HydrophobicContact CG-CG2 4.09Å; P636-F680 HydrophobicContact CB-CE2 4.38Å; P636-F680 HydrophobicContact CB-CZ 4.3Å; P636-F680 HydrophobicContact CG-CE2 4.26Å; P636-F680 HydrophobicContact CG-CZ 4.19Å; P636-I683 HydrophobicContact CG-CG2 4.45Å; P636-V684 HydrophobicContact CG-CG2 3.86Å
637	S	94.7	Very high	94.4	Very high	52 Å²	52	52.9 Å²	52.9	36%	0.364	27%	0.271	S	S	.	.			trans	-68.4	161.3	178.5	72.5	0	0	0	0	112.1	D639 D640 V641	S637-D639 PolarHBondContact O-N 3.03Å; S637-D640 WeakPolarHBondContact CB-OD2 3.4Å; S637-D640 PolarHBondContact N-OD2 2.83Å; S637-D640 WeakPolarHBondContact O-CB 3.38Å; S637-D640 PolarHBondContact O-N 3.16Å; S637-D640 PolarHBondContact OG-N 2.93Å; S637-D640 VanDerWaalsContact OG-N 3.15Å; S637-D640 PolarHBondContact OG-OD2 2.97Å; S637-V641 WeakPolarHBondContact O-CG2 3.42Å; S637-V641 PolarHBondContact O-N 2.84Å
638	S	93.6	Very high	94.6	Very high	88 Å²	88	50 Å²	50	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-54.2	-37.7	173.7	-179.3	0	0	0	0	112	V641 Q642	S638-V641 PolarHBondContact O-N 2.04Å; S638-Q642 WeakPolarHBondContact O-CG 3.38Å; S638-Q642 PolarHBondContact O-N 2.91Å
639	D	95	Very high	94.8	Very high	109 Å²	109	49.7 Å²	49.7	58%	0.583	26%	0.256	S	S	*	.	H	α-helix	trans	-67.5	-42.4	177.1	-73.2	6.2	0	0	0	111.1	S637 V641 Q642 N643	S637-D639 PolarHBondContact O-N 3.03Å; D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 2.98Å; D639-Q642 PolarHBondContact O-N 2.93Å; D639-N643 WeakPolarHBondContact O-CB 3.43Å; D639-N643 PolarHBondContact O-N 2.72Å; D639-N643 PolarHBondContact O-ND2 2.97Å
640	D	96	Very high	94.9	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-39.6	177.1	-64.8	-46.5	0	0	0	112.1	S595 P636 S637 N643 F644	S595-D640 WeakPolarHBondContact CA-OD1 3.44Å; S595-D640 VanDerWaalsContact CB-CG 3.49Å; S595-D640 WeakPolarHBondContact CB-OD1 3.48Å; S595-D640 WeakPolarHBondContact CB-OD2 3.44Å; S595-D640 PolarHBondContact OG-OD1 2.86Å; S595-D640 PolarHBondContact OG-OD2 3.33Å; P636-D640 HydrophobicContact CB-CB 4.13Å; S637-D640 WeakPolarHBondContact CB-OD2 3.4Å; S637-D640 PolarHBondContact N-OD2 2.83Å; S637-D640 WeakPolarHBondContact O-CB 3.38Å; S637-D640 PolarHBondContact O-N 3.16Å; S637-D640 PolarHBondContact OG-N 2.93Å; S637-D640 VanDerWaalsContact OG-N 3.15Å; S637-D640 PolarHBondContact OG-OD2 2.97Å; D640-N643 PolarHBondContact O-N 3.47Å; D640-F644 VanDerWaalsContact O-CB 3.29Å; D640-F644 WeakPolarHBondContact O-CB 3.48Å; D640-F644 PolarHBondContact O-N 2.98Å
641	V	96.9	Very high	95.1	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-46.5	174.7	175.9	0	0	0	0	111	P636 S637 S638 D639 F644 F645 F680 V684 L696	P636-V641 HydrophobicContact CB-CG2 4.27Å; P636-V641 HydrophobicContact CG-CG2 4.09Å; S637-V641 WeakPolarHBondContact O-CG2 3.42Å; S637-V641 PolarHBondContact O-N 2.84Å; S638-V641 PolarHBondContact O-N 2.04Å; D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 2.98Å; V641-F644 PolarHBondContact O-N 3.04Å; V641-F645 HydrophobicContact CG1-CD2 4.1Å; V641-F645 HydrophobicContact CG1-CE2 4.25Å; V641-F645 WeakPolarHBondContact O-CD2 3.38Å; V641-F645 PolarHBondContact O-N 3.49Å; V641-F645 VanDerWaalsContact O-N 3.14Å; V641-F680 HydrophobicContact CB-CE1 4.42Å; V641-F680 HydrophobicContact CG1-CE1 4.34Å; V641-F680 HydrophobicContact CG2-CE1 4.09Å; V641-F680 HydrophobicContact CG2-CZ 4.02Å; V641-V684 HydrophobicContact CG1-CG2 4.48Å; V641-V684 HydrophobicContact CG2-CG1 4.24Å; V641-V684 HydrophobicContact CG2-CG2 3.57Å; V641-L696 HydrophobicContact CG1-CD1 3.47Å; V641-L696 VanDerWaalsContact CG1-CD1 3.47Å; V641-L696 HydrophobicContact CG1-CD2 3.8Å; V641-L696 HydrophobicContact CG1-CG 4.31Å
642	Q	96.1	Very high	95.4	Very high	81 Å²	81	35.7 Å²	35.7	38%	0.379	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-42	175.7	-64.8	-63.7	-15.8	0	0	111.8	S638 D639 F644 F645 Q646	S638-Q642 WeakPolarHBondContact O-CG 3.38Å; S638-Q642 PolarHBondContact O-N 2.91Å; D639-Q642 PolarHBondContact O-N 2.93Å; Q642-F644 PolarHBondContact O-N 2.81Å; Q642-F645 PolarHBondContact O-N 3.43Å; Q642-Q646 VanDerWaalsContact O-CB 3.3Å; Q642-Q646 WeakPolarHBondContact O-CB 3.42Å; Q642-Q646 PolarHBondContact O-N 3.46Å
643	N	97.8	Very high	95.7	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-46.2	177.3	-65.7	-35.3	0	0	0	111.2	T598 L602 D639 D640 Q646 I647	T598-N643 HydrophobicContact CG2-CB 3.84Å; L602-N643 HydrophobicContact CD2-CB 4.18Å; L602-N643 WeakPolarHBondContact CD2-OD1 3.21Å; D639-N643 WeakPolarHBondContact O-CB 3.43Å; D639-N643 PolarHBondContact O-N 2.72Å; D639-N643 PolarHBondContact O-ND2 2.97Å; D640-N643 PolarHBondContact O-N 3.47Å; N643-Q646 PolarHBondContact O-N 2.64Å; N643-I647 WeakPolarHBondContact O-CD1 3.44Å; N643-I647 VanDerWaalsContact O-CG1 3.25Å; N643-I647 WeakPolarHBondContact O-CG1 3.46Å; N643-I647 PolarHBondContact O-N 2.91Å
644	F	98.3	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-52.7	178.6	-175.3	-89.4	0	0	0	111.7	T598 L622 T626 D640 V641 Q642 Q646 I647 I648 V676 I677 F680	T598-F644 HydrophobicContact CG2-CB 4.31Å; L622-F644 HydrophobicContact CB-CE2 4.27Å; L622-F644 HydrophobicContact CD2-CD2 3.68Å; L622-F644 HydrophobicContact CD2-CE2 3.73Å; L622-F644 HydrophobicContact CD2-CG 4.5Å; T626-F644 WeakPolarHBondContact OG1-CE2 3.39Å; D640-F644 VanDerWaalsContact O-CB 3.29Å; D640-F644 WeakPolarHBondContact O-CB 3.48Å; D640-F644 PolarHBondContact O-N 2.98Å; V641-F644 PolarHBondContact O-N 3.04Å; Q642-F644 PolarHBondContact O-N 2.81Å; F644-Q646 PolarHBondContact O-N 2.78Å; F644-I647 WeakPolarHBondContact O-CB 3.48Å; F644-I647 PolarHBondContact O-N 3.32Å; F644-I648 HydrophobicContact CD1-CD1 3.52Å; F644-I648 HydrophobicContact CE1-CD1 3.39Å; F644-I648 HydrophobicContact CG-CD1 4.43Å; F644-I648 HydrophobicContact CZ-CD1 4.22Å; F644-I648 WeakPolarHBondContact O-CD1 3.45Å; F644-I648 WeakPolarHBondContact O-CG1 3Å; F644-I648 PolarHBondContact O-N 3.28Å; F644-V676 HydrophobicContact CE2-CG1 4.48Å; F644-V676 HydrophobicContact CZ-CG1 3.99Å; F644-I677 HydrophobicContact CE1-CG1 4.45Å; F644-F680 HydrophobicContact CB-CE1 3.87Å; F644-F680 HydrophobicContact CB-CZ 3.88Å; F644-F680 HydrophobicContact CD1-CB 4.44Å; F644-F680 AromaticContact CD1-CD1 3.32Å; F644-F680 HydrophobicContact CD1-CD1 3.32Å; F644-F680 HydrophobicContact CD1-CD2 4.42Å; F644-F680 AromaticContact CD1-CE1 3.5Å; F644-F680 HydrophobicContact CD1-CE1 3.5Å; F644-F680 VanDerWaalsContact CD1-CE1 3.5Å; F644-F680 AromaticContact CD1-CG 3.82Å; F644-F680 HydrophobicContact CD1-CG 3.82Å; F644-F680 HydrophobicContact CD1-CZ 4.15Å; F644-F680 HydrophobicContact CD2-CD1 4.28Å; F644-F680 AromaticContact CD2-CD2 3.95Å; F644-F680 HydrophobicContact CD2-CD2 3.95Å; F644-F680 HydrophobicContact CD2-CE1 4.24Å; F644-F680 AromaticContact CD2-CE2 3.93Å; F644-F680 HydrophobicContact CD2-CE2 3.93Å; F644-F680 HydrophobicContact CD2-CG 4.13Å; F644-F680 HydrophobicContact CD2-CZ 4.07Å; F644-F680 HydrophobicContact CE1-CB 3.59Å; F644-F680 AromaticContact CE1-CD1 3.33Å; F644-F680 HydrophobicContact CE1-CD1 3.33Å; F644-F680 HydrophobicContact CE1-CD2 4.22Å; F644-F680 HydrophobicContact CE1-CE1 4.02Å; F644-F680 AromaticContact CE1-CG 3.45Å; F644-F680 HydrophobicContact CE1-CG 3.45Å; F644-F680 VanDerWaalsContact CE1-CG 3.45Å; F644-F680 HydrophobicContact CE2-CB 4.14Å; F644-F680 HydrophobicContact CE2-CD1 4.3Å; F644-F680 AromaticContact CE2-CD2 3.74Å; F644-F680 HydrophobicContact CE2-CD2 3.74Å; F644-F680 HydrophobicContact CE2-CE2 4.2Å; F644-F680 AromaticContact CE2-CG 3.8Å; F644-F680 HydrophobicContact CE2-CG 3.8Å; F644-F680 AromaticContact CG-CD1 3.82Å; F644-F680 HydrophobicContact CG-CD1 3.82Å; F644-F680 HydrophobicContact CG-CD2 4.29Å; F644-F680 AromaticContact CG-CE1 3.63Å; F644-F680 HydrophobicContact CG-CE1 3.63Å; F644-F680 HydrophobicContact CG-CE2 4.13Å; F644-F680 HydrophobicContact CG-CG 4.15Å; F644-F680 AromaticContact CG-CZ 3.79Å; F644-F680 HydrophobicContact CG-CZ 3.79Å; F644-F680 HydrophobicContact CZ-CB 3.41Å; F644-F680 VanDerWaalsContact CZ-CB 3.41Å; F644-F680 AromaticContact CZ-CD1 3.86Å; F644-F680 HydrophobicContact CZ-CD1 3.86Å; F644-F680 AromaticContact CZ-CD2 3.89Å; F644-F680 HydrophobicContact CZ-CD2 3.89Å; F644-F680 AromaticContact CZ-CG 3.44Å; F644-F680 HydrophobicContact CZ-CG 3.44Å; F644-F680 VanDerWaalsContact CZ-CG 3.44Å
645	F	97.6	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71	-28.4	179.9	-77.8	-78	0	0	0	113.8	V641 Q642 I648 S649 I677 F680 I681 L696 T698 L701 A703	V641-F645 HydrophobicContact CG1-CD2 4.1Å; V641-F645 HydrophobicContact CG1-CE2 4.25Å; V641-F645 WeakPolarHBondContact O-CD2 3.38Å; V641-F645 PolarHBondContact O-N 3.49Å; V641-F645 VanDerWaalsContact O-N 3.14Å; Q642-F645 PolarHBondContact O-N 3.43Å; F645-I648 HydrophobicContact CD1-CD1 4Å; F645-I648 HydrophobicContact CE1-CD1 4.38Å; F645-I648 PolarHBondContact O-N 2.88Å; F645-S649 PolarHBondContact O-N 3.21Å; F645-I677 HydrophobicContact CE1-CG2 3.88Å; F645-I677 HydrophobicContact CZ-CG2 4.29Å; F645-F680 HydrophobicContact CD2-CE1 4.41Å; F645-F680 AromaticContact CE2-CD1 3.88Å; F645-F680 HydrophobicContact CE2-CD1 3.88Å; F645-F680 AromaticContact CE2-CE1 3.97Å; F645-F680 HydrophobicContact CE2-CE1 3.97Å; F645-F680 HydrophobicContact CZ-CD1 4.4Å; F645-I681 HydrophobicContact CZ-CD1 4.15Å; F645-I681 HydrophobicContact CZ-CG1 3.78Å; F645-L696 HydrophobicContact CD2-CD1 3.45Å; F645-L696 VanDerWaalsContact CD2-CD1 3.45Å; F645-L696 HydrophobicContact CE2-CD1 3.36Å; F645-L696 HydrophobicContact CG-CD1 4.24Å; F645-L696 HydrophobicContact CZ-CD1 4.1Å; F645-T698 HydrophobicContact CB-CG2 4.42Å; F645-L701 HydrophobicContact CD1-CD1 3.51Å; F645-L701 HydrophobicContact CD1-CD2 4.06Å; F645-L701 HydrophobicContact CD1-CG 4.39Å; F645-L701 HydrophobicContact CE1-CD1 3.99Å; F645-L701 HydrophobicContact CG-CD1 4.45Å; F645-A703 HydrophobicContact CE1-CB 4.22Å; F645-A703 HydrophobicContact CZ-CB 4.45Å
646	Q	97.4	Very high	96	Very high	63 Å²	63	35.3 Å²	35.3	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-71.4	-35.4	172.6	-172.8	58.5	57.5	0	0	112.5	L602 Q642 N643 F644 I648 S649 N650	L602-Q646 HydrophobicContact CD1-CB 3.87Å; L602-Q646 HydrophobicContact CD1-CG 3.66Å; Q642-Q646 VanDerWaalsContact O-CB 3.3Å; Q642-Q646 WeakPolarHBondContact O-CB 3.42Å; Q642-Q646 PolarHBondContact O-N 3.46Å; N643-Q646 PolarHBondContact O-N 2.64Å; F644-Q646 PolarHBondContact O-N 2.78Å; Q646-I648 VanDerWaalsContact C-N 3.32Å; Q646-I648 PolarHBondContact O-N 2.76Å; Q646-S649 PolarHBondContact O-N 3.15Å; Q646-N650 PolarHBondContact NE2-OD1 3.46Å; Q646-N650 PolarHBondContact O-N 3.23Å; Q646-N650 PolarHBondContact O-ND2 3.09Å; Q646-N650 PolarHBondContact O-OD1 3.19Å
647	I	98.1	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.3	-49.6	169.8	-69.1	154.6	0	0	0	109.6	T598 L601 L602 T605 L622 N643 F644 S649 N650 L651	T598-I647 HydrophobicContact CG2-CD1 3.71Å; T598-I647 WeakPolarHBondContact O-CD1 3.48Å; L601-I647 HydrophobicContact CB-CD1 3.93Å; L601-I647 HydrophobicContact CD2-CD1 4.11Å; L601-I647 HydrophobicContact CD2-CG2 4.01Å; L601-I647 HydrophobicContact CG-CD1 3.96Å; L601-I647 HydrophobicContact CG-CG1 4.27Å; L601-I647 HydrophobicContact CG-CG2 4.01Å; L602-I647 HydrophobicContact CB-CD1 4.21Å; L602-I647 HydrophobicContact CB-CG1 3.91Å; L602-I647 HydrophobicContact CD1-CG1 4.07Å; T605-I647 HydrophobicContact CG2-CG2 4.06Å; L622-I647 HydrophobicContact CD1-CG2 3.98Å; L622-I647 HydrophobicContact CD2-CD1 4.23Å; L622-I647 HydrophobicContact CD2-CG2 4.28Å; L622-I647 HydrophobicContact CG-CG2 4.49Å; N643-I647 WeakPolarHBondContact O-CD1 3.44Å; N643-I647 VanDerWaalsContact O-CG1 3.25Å; N643-I647 WeakPolarHBondContact O-CG1 3.46Å; N643-I647 PolarHBondContact O-N 2.91Å; F644-I647 WeakPolarHBondContact O-CB 3.48Å; F644-I647 PolarHBondContact O-N 3.32Å; I647-S649 VanDerWaalsContact C-N 3.31Å; I647-S649 PolarHBondContact O-N 2.87Å; I647-N650 WeakPolarHBondContact O-CB 3.02Å; I647-N650 PolarHBondContact O-N 2.61Å; I647-L651 HydrophobicContact CG2-CD1 3.91Å; I647-L651 HydrophobicContact CG2-CG 4.27Å; I647-L651 WeakPolarHBondContact O-CG 3.32Å; I647-L651 PolarHBondContact O-N 2.04Å
648	I	97.7	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-43.5	178.9	-62	156.3	0	0	0	110.5	L622 F644 F645 Q646 N650 L651 L652 L673 I677 L701	L622-I648 HydrophobicContact CD1-CG1 4.18Å; F644-I648 HydrophobicContact CD1-CD1 3.52Å; F644-I648 HydrophobicContact CE1-CD1 3.39Å; F644-I648 HydrophobicContact CG-CD1 4.43Å; F644-I648 HydrophobicContact CZ-CD1 4.22Å; F644-I648 WeakPolarHBondContact O-CD1 3.45Å; F644-I648 WeakPolarHBondContact O-CG1 3Å; F644-I648 PolarHBondContact O-N 3.28Å; F645-I648 HydrophobicContact CD1-CD1 4Å; F645-I648 HydrophobicContact CE1-CD1 4.38Å; F645-I648 PolarHBondContact O-N 2.88Å; Q646-I648 VanDerWaalsContact C-N 3.32Å; Q646-I648 PolarHBondContact O-N 2.76Å; I648-N650 VanDerWaalsContact C-N 3.26Å; I648-N650 PolarHBondContact O-N 2.98Å; I648-L651 PolarHBondContact O-N 3.27Å; I648-L652 HydrophobicContact CG2-CD1 3.7Å; I648-L652 HydrophobicContact CG2-CG 4.09Å; I648-L652 WeakPolarHBondContact O-CB 3.39Å; I648-L652 WeakPolarHBondContact O-CG 3.28Å; I648-L652 PolarHBondContact O-N 3.24Å; I648-L673 HydrophobicContact CG1-CD1 4.22Å; I648-I677 HydrophobicContact CD1-CD1 3.82Å; I648-I677 HydrophobicContact CD1-CG1 3.52Å; I648-I677 HydrophobicContact CG1-CD1 4.26Å; I648-I677 HydrophobicContact CG1-CG1 4.35Å; I648-I677 HydrophobicContact CG2-CD1 3.69Å; I648-L701 HydrophobicContact CB-CD2 3.89Å; I648-L701 HydrophobicContact CG2-CD2 3.38Å
649	S	97	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-31.5	175.5	-171.2	0	0	0	0	113.4	F645 Q646 I647 T698 G699 N700	F645-S649 PolarHBondContact O-N 3.21Å; Q646-S649 PolarHBondContact O-N 3.15Å; I647-S649 VanDerWaalsContact C-N 3.31Å; I647-S649 PolarHBondContact O-N 2.87Å; S649-T698 WeakPolarHBondContact CB-OG1 3.18Å; S649-T698 WeakPolarHBondContact OG-CB 3.47Å; S649-T698 PolarHBondContact OG-OG1 3.39Å; S649-G699 PolarHBondContact OG-N 3.38Å; S649-N700 PolarHBondContact O-ND2 3.47Å; S649-N700 PolarHBondContact OG-N 2.76Å; S649-N700 VanDerWaalsContact OG-N 3.16Å
650	N	97.1	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-75	-36.5	175.4	-64.7	-14.1	0	0	0	112	T605 Q606 Q646 I647 I648 E653 N656	T605-N650 PolarHBondContact OG1-ND2 3.46Å; T605-N650 VanDerWaalsContact OG1-ND2 3.09Å; Q606-N650 PolarHBondContact NE2-ND2 2.88Å; Q646-N650 PolarHBondContact NE2-OD1 3.46Å; Q646-N650 PolarHBondContact O-N 3.23Å; Q646-N650 PolarHBondContact O-ND2 3.09Å; Q646-N650 PolarHBondContact O-OD1 3.19Å; I647-N650 WeakPolarHBondContact O-CB 3.02Å; I647-N650 PolarHBondContact O-N 2.61Å; I648-N650 VanDerWaalsContact C-N 3.26Å; I648-N650 PolarHBondContact O-N 2.98Å; N650-E653 WeakPolarHBondContact O-CG 3.33Å; N650-N656 PolarHBondContact O-ND2 3.41Å
651	L	96.9	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.4	-39.4	176.6	-66.3	173.1	0	0	0	111.6	T605 F610 L615 L622 I647 I648 E653 N656 W660	T605-L651 HydrophobicContact CG2-CD2 4.34Å; F610-L651 HydrophobicContact CE1-CD2 4.1Å; F610-L651 HydrophobicContact CZ-CD2 4.12Å; L615-L651 HydrophobicContact CD2-CD2 3.61Å; L622-L651 HydrophobicContact CD1-CD1 4.11Å; I647-L651 HydrophobicContact CG2-CD1 3.91Å; I647-L651 HydrophobicContact CG2-CG 4.27Å; I647-L651 WeakPolarHBondContact O-CG 3.32Å; I647-L651 PolarHBondContact O-N 2.04Å; I648-L651 PolarHBondContact O-N 3.27Å; L651-E653 PolarHBondContact O-N 3.49Å; L651-N656 PolarHBondContact O-ND2 2.94Å; L651-W660 HydrophobicContact CB-CZ2 4.2Å; L651-W660 PolarHBondContact O-NE1 3.48Å
652	L	96.2	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	17.1	179.1	-61	-177.4	0	0	0	114.1	I648 L673 N700 Y765 T767 L768 M771	I648-L652 HydrophobicContact CG2-CD1 3.7Å; I648-L652 HydrophobicContact CG2-CG 4.09Å; I648-L652 WeakPolarHBondContact O-CB 3.39Å; I648-L652 WeakPolarHBondContact O-CG 3.28Å; I648-L652 PolarHBondContact O-N 3.24Å; L652-L673 HydrophobicContact CD2-CD2 4.07Å; L652-N700 HydrophobicContact CB-CB 4.19Å; L652-N700 PolarHBondContact O-ND2 3.5Å; L652-Y765 HydrophobicContact CD1-CD1 3.84Å; L652-Y765 HydrophobicContact CD1-CE1 4.27Å; L652-T767 WeakPolarHBondContact O-CB 3.45Å; L652-T767 PolarHBondContact O-OG1 2.85Å; L652-L768 HydrophobicContact CD1-CB 4.49Å; L652-L768 HydrophobicContact CD2-CD1 3.81Å; L652-M771 HydrophobicContact CB-SD 4.47Å; L652-M771 HydrophobicContact CD2-SD 3.6Å
653	E	95.3	Very high	95.8	Very high	29 Å²	29	34 Å²	34	14%	0.136	16%	0.16	C	C	.	.			trans	-66.7	140.5	170.2	-69.8	-70.1	-166	0	0	111.8	R608 N650 L651 E655 N656 N700 M771	R608-E653 IonicContact CZ-OE1 3.17Å; R608-E653 IonicContact NH1-OE1 2.69Å; R608-E653 PolarHBondContact NH1-OE1 3.24Å; R608-E653 IonicContact NH1-OE2 2.57Å; R608-E653 IonicContact NH2-OE1 3.75Å; R608-E653 PolarHBondContact NH2-OE1 3.38Å; N650-E653 WeakPolarHBondContact O-CG 3.33Å; L651-E653 PolarHBondContact O-N 3.49Å; E653-E655 PolarHBondContact O-N 2.86Å; E653-N656 WeakPolarHBondContact O-CB 3.44Å; E653-N656 PolarHBondContact O-N 3.29Å; E653-N700 PolarHBondContact OE2-ND2 2.86Å; E653-M771 WeakPolarHBondContact O-CE 3.3Å
654	E	92.5	Very high	95.6	Very high	118 Å²	118	34.6 Å²	34.6	55%	0.551	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-58.9	-33.6	-175.6	-163.8	171.8	156.1	0	0	112.4	N656 Q657 L770	E654-N656 PolarHBondContact O-N 2.99Å; E654-Q657 WeakPolarHBondContact O-CB 3.42Å; E654-Q657 PolarHBondContact O-N 2.85Å; E654-L770 HydrophobicContact CG-CD1 4.1Å
655	E	93.4	Very high	95.2	Very high	133 Å²	133	40.6 Å²	40.6	62%	0.621	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-55.1	-17.5	171.8	-60.8	173.5	169.5	0	0	114.4	E653	E653-E655 PolarHBondContact O-N 2.86Å
656	N	95.1	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-93.7	-0.6	179	-63.4	-34.5	0	0	0	113.9	F610 L615 N650 L651 E653 E654 E658 K659 W660	F610-N656 WeakPolarHBondContact CD2-OD1 3.25Å; L615-N656 HydrophobicContact CD1-CB 4.42Å; N650-N656 PolarHBondContact O-ND2 3.41Å; L651-N656 PolarHBondContact O-ND2 2.94Å; E653-N656 WeakPolarHBondContact O-CB 3.44Å; E653-N656 PolarHBondContact O-N 3.29Å; E654-N656 PolarHBondContact O-N 2.99Å; N656-E658 PolarHBondContact O-N 2.87Å; N656-K659 HydrophobicContact CB-CD 4.34Å; N656-K659 WeakPolarHBondContact O-CA 3.23Å; N656-K659 WeakPolarHBondContact O-CB 3Å; N656-K659 PolarHBondContact O-N 2.96Å; N656-K659 WeakPolarHBondContact OD1-CD 3.44Å; N656-K659 PolarHBondContact OD1-NZ 3.3Å; N656-W660 PolarHBondContact O-N 2.88Å
657	Q	93.6	Very high	94.5	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-52.9	-55.4	-174.5	-171.9	-170.6	-39	0	0	112.8	E654 K659 W660 E661	E654-Q657 WeakPolarHBondContact O-CB 3.42Å; E654-Q657 PolarHBondContact O-N 2.85Å; Q657-K659 PolarHBondContact O-N 2.87Å; Q657-K659 VanDerWaalsContact O-N 3.13Å; Q657-W660 PolarHBondContact O-N 2.96Å; Q657-E661 PolarHBondContact NE2-OE1 3.01Å; Q657-E661 WeakPolarHBondContact O-CG 3.45Å; Q657-E661 PolarHBondContact O-N 2.96Å
658	E	93.8	Very high	94.1	Very high	119 Å²	119	48.5 Å²	48.5	56%	0.556	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-28.6	179	-64.6	-158.1	167.4	0	0	113	K560 N656 D662	K560-E658 IonicContact NZ-OE1 2.75Å; K560-E658 PolarHBondContact NZ-OE1 3.3Å; K560-E658 IonicContact NZ-OE2 3.8Å; K560-E658 PolarHBondContact NZ-OE2 2.99Å; N656-E658 PolarHBondContact O-N 2.87Å; E658-D662 WeakPolarHBondContact O-CB 3.03Å; E658-D662 PolarHBondContact O-N 3.19Å
659	K	95.4	Very high	93.9	Very high	51 Å²	51	48.5 Å²	48.5	22%	0.222	23%	0.226	C	C	.	.	H	α-helix	trans	-75.1	-38.2	178.1	-52.1	172.9	-167.7	165.3	0	111	R608 F610 A612 L615 N656 Q657 D662 A663	R608-K659 PolarHBondContact O-NZ 2.72Å; F610-K659 HydrophobicContact CB-CD 4.29Å; F610-K659 WeakPolarHBondContact O-CD 3.47Å; F610-K659 WeakPolarHBondContact O-CE 3.01Å; A612-K659 HydrophobicContact CB-CB 4.43Å; A612-K659 WeakPolarHBondContact CB-O 3.41Å; L615-K659 HydrophobicContact CD1-CB 3.55Å; N656-K659 HydrophobicContact CB-CD 4.34Å; N656-K659 WeakPolarHBondContact O-CA 3.23Å; N656-K659 WeakPolarHBondContact O-CB 3Å; N656-K659 PolarHBondContact O-N 2.96Å; N656-K659 WeakPolarHBondContact OD1-CD 3.44Å; N656-K659 PolarHBondContact OD1-NZ 3.3Å; Q657-K659 PolarHBondContact O-N 2.87Å; Q657-K659 VanDerWaalsContact O-N 3.13Å; K659-D662 PolarHBondContact O-N 2.87Å; K659-A663 VanDerWaalsContact O-CB 3.26Å; K659-A663 WeakPolarHBondContact O-CB 3.23Å; K659-A663 PolarHBondContact O-N 2.8Å
660	W	95.6	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-39.1	172.7	-82.2	111.2	0	0	0	112.1	L615 V619 L651 N656 Q657 D662 Q664 A669 A670 L673 M771	L615-W660 HydrophobicContact CB-CH2 4.46Å; L615-W660 HydrophobicContact CB-CZ2 4.37Å; L615-W660 HydrophobicContact CD1-CD2 3.94Å; L615-W660 HydrophobicContact CD1-CG 3.9Å; V619-W660 HydrophobicContact CG2-CH2 3.75Å; V619-W660 HydrophobicContact CG2-CZ3 4.41Å; L651-W660 HydrophobicContact CB-CZ2 4.2Å; L651-W660 PolarHBondContact O-NE1 3.48Å; N656-W660 PolarHBondContact O-N 2.88Å; Q657-W660 PolarHBondContact O-N 2.96Å; W660-D662 VanDerWaalsContact C-N 3.35Å; W660-Q664 WeakPolarHBondContact O-CB 3.36Å; W660-Q664 VanDerWaalsContact O-CG 3.23Å; W660-Q664 WeakPolarHBondContact O-CG 3.05Å; W660-Q664 PolarHBondContact O-N 3.27Å; W660-Q664 PolarHBondContact O-NE2 3.27Å; W660-Q664 VanDerWaalsContact O-NE2 3.1Å; W660-A669 HydrophobicContact CZ3-CB 3.82Å; W660-A670 HydrophobicContact CE3-CB 4.24Å; W660-A670 HydrophobicContact CZ3-CB 4.19Å; W660-L673 HydrophobicContact CH2-CD2 3.95Å; W660-L673 HydrophobicContact CZ2-CD2 4.1Å; W660-M771 HydrophobicContact CB-CB 4.34Å; W660-M771 HydrophobicContact CB-CG 4.27Å; W660-M771 HydrophobicContact CD2-SD 4.49Å; W660-M771 HydrophobicContact CG-CB 4.31Å; W660-M771 HydrophobicContact CG-CG 4.11Å; W660-M771 HydrophobicContact CG-SD 4.05Å; W660-M771 PolarHBondContact NE1-SD 2.03Å
661	E	93.6	Very high	93.4	Very high	95 Å²	95	48.6 Å²	48.6	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-43.1	171.3	-71.7	174.8	-164.4	0	0	111.4	Q657	Q657-E661 PolarHBondContact NE2-OE1 3.01Å; Q657-E661 WeakPolarHBondContact O-CG 3.45Å; Q657-E661 PolarHBondContact O-N 2.96Å
662	D	94.9	Very high	93.3	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-43.4	176.8	-169.5	57.5	0	0	0	113.1	S562 Y563 A564 A612 E658 K659 W660 Q664 K665	S562-D662 WeakPolarHBondContact CA-OD1 3.49Å; S562-D662 VanDerWaalsContact CA-OD2 3.32Å; S562-D662 WeakPolarHBondContact CA-OD2 3.44Å; S562-D662 WeakPolarHBondContact CB-OD1 3.46Å; S562-D662 PolarHBondContact OG-OD1 3.23Å; S562-D662 PolarHBondContact OG-OD2 2.96Å; Y563-D662 PolarHBondContact N-OD2 2.87Å; A564-D662 WeakPolarHBondContact CB-O 3.49Å; A564-D662 PolarHBondContact N-OD2 2.96Å; A612-D662 HydrophobicContact CB-CB 4.01Å; E658-D662 WeakPolarHBondContact O-CB 3.03Å; E658-D662 PolarHBondContact O-N 3.19Å; K659-D662 PolarHBondContact O-N 2.87Å; W660-D662 VanDerWaalsContact C-N 3.35Å; D662-Q664 VanDerWaalsContact C-N 3.29Å; D662-Q664 PolarHBondContact O-N 3.17Å; D662-K665 WeakPolarHBondContact O-CB 3.26Å; D662-K665 PolarHBondContact O-N 3.44Å; D662-K665 IonicContact OD1-NZ 2.72Å; D662-K665 PolarHBondContact OD1-NZ 2.03Å
663	A	94.9	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-41.4	175.7	0	0	0	0	0	112.2	A612 L616 K659 K665 I666 Y667	A612-A663 HydrophobicContact CB-CB 4.14Å; L616-A663 HydrophobicContact CD1-CB 4.37Å; L616-A663 HydrophobicContact CD2-CB 3.86Å; L616-A663 HydrophobicContact CG-CB 3.93Å; K659-A663 VanDerWaalsContact O-CB 3.26Å; K659-A663 WeakPolarHBondContact O-CB 3.23Å; K659-A663 PolarHBondContact O-N 2.8Å; A663-K665 VanDerWaalsContact C-N 3.26Å; A663-K665 PolarHBondContact O-N 3.1Å; A663-I666 VanDerWaalsContact O-CG1 3.3Å; A663-I666 WeakPolarHBondContact O-CG1 3.02Å; A663-I666 PolarHBondContact O-N 3.1Å; A663-I666 VanDerWaalsContact O-N 3.15Å; A663-Y667 PolarHBondContact O-N 2.92Å
664	Q	92.6	Very high	93.2	Very high	38 Å²	38	49.1 Å²	49.1	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-78.1	-5.7	-175.5	-68	178.1	110.5	0	0	114.6	W660 D662 I666 Y667 A670 M771	W660-Q664 WeakPolarHBondContact O-CB 3.36Å; W660-Q664 VanDerWaalsContact O-CG 3.23Å; W660-Q664 WeakPolarHBondContact O-CG 3.05Å; W660-Q664 PolarHBondContact O-N 3.27Å; W660-Q664 PolarHBondContact O-NE2 3.27Å; W660-Q664 VanDerWaalsContact O-NE2 3.1Å; D662-Q664 VanDerWaalsContact C-N 3.29Å; D662-Q664 PolarHBondContact O-N 3.17Å; Q664-I666 PolarHBondContact O-N 2.88Å; Q664-Y667 WeakPolarHBondContact CA-O 3.43Å; Q664-A670 VanDerWaalsContact OE1-CB 3.28Å; Q664-M771 PolarHBondContact NE2-O 3.26Å; Q664-M771 PolarHBondContact OE1-O 3.04Å
665	K	89.6	Confident	93.3	Very high	125 Å²	125	48.1 Å²	48.1	54%	0.543	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	164.3	-61.5	168.5	-166.5	162.9	0	113	D662 A663	D662-K665 WeakPolarHBondContact O-CB 3.26Å; D662-K665 PolarHBondContact O-N 3.44Å; D662-K665 IonicContact OD1-NZ 2.72Å; D662-K665 PolarHBondContact OD1-NZ 2.03Å; A663-K665 VanDerWaalsContact C-N 3.26Å; A663-K665 PolarHBondContact O-N 3.1Å
666	I	90.4	Very high	93.4	Very high	73 Å²	73	42.1 Å²	42.1	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-25.7	178.2	68.5	170.7	0	0	0	114.7	A564 R565 L616 A663 Q664	A564-I666 HydrophobicContact CB-CD1 3.69Å; A564-I666 HydrophobicContact CB-CG1 3.93Å; R565-I666 HydrophobicContact CG-CD1 3.74Å; L616-I666 HydrophobicContact CD1-CD1 3.73Å; L616-I666 HydrophobicContact CD1-CG1 3.88Å; A663-I666 VanDerWaalsContact O-CG1 3.3Å; A663-I666 WeakPolarHBondContact O-CG1 3.02Å; A663-I666 PolarHBondContact O-N 3.1Å; A663-I666 VanDerWaalsContact O-N 3.15Å; Q664-I666 PolarHBondContact O-N 2.88Å
667	Y	90.3	Very high	93.5	Very high	107 Å²	107	42.1 Å²	42.1	42%	0.42	20%	0.198	S	C	.	.			trans	-159.9	133.5	178.2	-171.5	-94.2	0	0	0	112.9	L616 A663 Q664 A669 E672	L616-Y667 HydrophobicContact CD2-CD1 4.48Å; A663-Y667 PolarHBondContact O-N 2.92Å; Q664-Y667 WeakPolarHBondContact CA-O 3.43Å; Y667-A669 HydrophobicContact CD1-CB 3.98Å; Y667-A669 HydrophobicContact CE1-CB 4.42Å; Y667-A669 PolarHBondContact O-N 3.19Å; Y667-E672 HydrophobicContact CE1-CB 4.2Å; Y667-E672 WeakPolarHBondContact CE1-OE2 3.2Å; Y667-E672 PolarHBondContact OH-OE1 2.83Å
668	P	90.9	Very high	93.6	Very high	49 Å²	49	41.7 Å²	41.7	32%	0.318	20%	0.195	S	C	.	.			trans	-77.4	53.3	-173.2	34.3	-38.3	0	0	0	114.2	A670 V671 E672 M825	P668-A670 VanDerWaalsContact C-N 3.26Å; P668-A670 PolarHBondContact O-N 2.77Å; P668-A670 VanDerWaalsContact O-N 3.13Å; P668-V671 WeakPolarHBondContact O-CB 3.16Å; P668-V671 PolarHBondContact O-N 3.33Å; P668-E672 PolarHBondContact O-N 3.45Å; P668-M825 HydrophobicContact CB-CE 4.05Å; P668-M825 HydrophobicContact CG-CE 4.11Å
669	A	92.3	Very high	93.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-21.3	-171.1	0	0	0	0	0	115.5	L616 V619 W660 Y667 V671 E672 L673	L616-A669 HydrophobicContact CD2-CB 3.38Å; V619-A669 HydrophobicContact CB-CB 4.42Å; V619-A669 HydrophobicContact CG2-CB 4.21Å; W660-A669 HydrophobicContact CZ3-CB 3.82Å; Y667-A669 HydrophobicContact CD1-CB 3.98Å; Y667-A669 HydrophobicContact CE1-CB 4.42Å; Y667-A669 PolarHBondContact O-N 3.19Å; A669-V671 PolarHBondContact O-N 3.44Å; A669-E672 PolarHBondContact O-N 3.28Å; A669-L673 VanDerWaalsContact O-CB 3.25Å; A669-L673 WeakPolarHBondContact O-CB 3.26Å; A669-L673 PolarHBondContact O-N 2.64Å
670	A	92.9	Very high	93.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-66.5	-28.6	174.5	0	0	0	0	0	111.7	W660 Q664 P668 M674 L768 L772	W660-A670 HydrophobicContact CE3-CB 4.24Å; W660-A670 HydrophobicContact CZ3-CB 4.19Å; Q664-A670 VanDerWaalsContact OE1-CB 3.28Å; P668-A670 VanDerWaalsContact C-N 3.26Å; P668-A670 PolarHBondContact O-N 2.77Å; P668-A670 VanDerWaalsContact O-N 3.13Å; A670-M674 PolarHBondContact O-N 2.95Å; A670-L768 HydrophobicContact CB-CD1 4.49Å; A670-L772 HydrophobicContact CB-CD2 4.39Å
671	V	91.7	Very high	93.9	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-79.8	-44.1	175.9	-174.6	0	0	0	0	110.9	P668 A669 L673 M674 Q675 L772 P773 W820 M825	P668-V671 WeakPolarHBondContact O-CB 3.16Å; P668-V671 PolarHBondContact O-N 3.33Å; A669-V671 PolarHBondContact O-N 3.44Å; V671-L673 PolarHBondContact O-N 2.91Å; V671-M674 HydrophobicContact CB-CE 4.47Å; V671-M674 HydrophobicContact CG1-CE 4.16Å; V671-M674 WeakPolarHBondContact O-CB 3.36Å; V671-M674 PolarHBondContact O-N 3.45Å; V671-M674 VanDerWaalsContact O-N 3.12Å; V671-Q675 PolarHBondContact O-N 3.42Å; V671-L772 HydrophobicContact CG2-CD2 4.34Å; V671-P773 HydrophobicContact CG2-CG 4.38Å; V671-W820 HydrophobicContact CB-CZ2 4.24Å; V671-W820 HydrophobicContact CG1-CZ2 3.7Å; V671-W820 HydrophobicContact CG2-CH2 3.71Å; V671-W820 HydrophobicContact CG2-CZ2 3.45Å; V671-W820 VanDerWaalsContact CG2-CZ2 3.45Å; V671-W820 HydrophobicContact CG2-CZ3 4.5Å; V671-M825 HydrophobicContact CB-SD 4.47Å; V671-M825 HydrophobicContact CG1-SD 3.83Å; V671-M825 HydrophobicContact CG2-CE 4.37Å
672	E	93.3	Very high	94	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.093	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-39.6	172.2	-175.1	178.4	-131.7	0	0	111	V619 R623 Y667 P668 A669 M674 Q675 V676	V619-E672 HydrophobicContact CG1-CB 4.09Å; V619-E672 HydrophobicContact CG1-CG 3.91Å; V619-E672 WeakPolarHBondContact CG1-OE2 3.39Å; R623-E672 VanDerWaalsContact CD-OE1 3.27Å; R623-E672 WeakPolarHBondContact CD-OE1 3.48Å; R623-E672 IonicContact CZ-OE1 2.8Å; R623-E672 IonicContact NE-OE1 3.27Å; R623-E672 IonicContact NH1-OE1 2.71Å; R623-E672 PolarHBondContact NH1-OE1 3.14Å; R623-E672 IonicContact NH1-OE2 3.18Å; Y667-E672 HydrophobicContact CE1-CB 4.2Å; Y667-E672 WeakPolarHBondContact CE1-OE2 3.2Å; Y667-E672 PolarHBondContact OH-OE1 2.83Å; P668-E672 PolarHBondContact O-N 3.45Å; A669-E672 PolarHBondContact O-N 3.28Å; E672-M674 VanDerWaalsContact C-N 3.34Å; E672-M674 PolarHBondContact O-N 2.93Å; E672-Q675 WeakPolarHBondContact O-CB 3.1Å; E672-Q675 PolarHBondContact O-N 2.9Å; E672-Q675 VanDerWaalsContact O-N 3.17Å; E672-V676 HydrophobicContact CG-CG2 4.27Å; E672-V676 WeakPolarHBondContact O-CB 3.44Å; E672-V676 VanDerWaalsContact O-CG2 3.26Å; E672-V676 WeakPolarHBondContact O-CG2 3.02Å; E672-V676 PolarHBondContact O-N 2.04Å
673	L	96.1	Very high	94	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-38.8	176.2	-175.9	56	0	0	0	112.7	V619 L622 I648 L652 W660 A669 V671 V676 I677	V619-L673 HydrophobicContact CG1-CB 4.13Å; V619-L673 HydrophobicContact CG2-CB 4.07Å; V619-L673 HydrophobicContact CG2-CD1 4.23Å; V619-L673 HydrophobicContact CG2-CD2 4.33Å; V619-L673 HydrophobicContact CG2-CG 4.45Å; L622-L673 HydrophobicContact CD1-CD1 4.12Å; I648-L673 HydrophobicContact CG1-CD1 4.22Å; L652-L673 HydrophobicContact CD2-CD2 4.07Å; W660-L673 HydrophobicContact CH2-CD2 3.95Å; W660-L673 HydrophobicContact CZ2-CD2 4.1Å; A669-L673 VanDerWaalsContact O-CB 3.25Å; A669-L673 WeakPolarHBondContact O-CB 3.26Å; A669-L673 PolarHBondContact O-N 2.64Å; V671-L673 PolarHBondContact O-N 2.91Å; L673-V676 PolarHBondContact O-N 2.83Å; L673-I677 HydrophobicContact CD1-CD1 4.17Å; L673-I677 HydrophobicContact CD1-CG1 4.42Å; L673-I677 HydrophobicContact CG-CD1 4.04Å; L673-I677 WeakPolarHBondContact O-CD1 3.47Å; L673-I677 WeakPolarHBondContact O-CG1 3.2Å; L673-I677 PolarHBondContact O-N 3.33Å
674	M	94.4	Very high	94.1	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-47.3	173.1	-65.4	-167.4	-66.1	0	0	111.4	A670 V671 E672 V676 I677 E678 L768 L772 W820	A670-M674 PolarHBondContact O-N 2.95Å; V671-M674 HydrophobicContact CB-CE 4.47Å; V671-M674 HydrophobicContact CG1-CE 4.16Å; V671-M674 WeakPolarHBondContact O-CB 3.36Å; V671-M674 PolarHBondContact O-N 3.45Å; V671-M674 VanDerWaalsContact O-N 3.12Å; E672-M674 VanDerWaalsContact C-N 3.34Å; E672-M674 PolarHBondContact O-N 2.93Å; M674-V676 VanDerWaalsContact C-N 3.33Å; M674-V676 PolarHBondContact O-N 3.24Å; M674-I677 WeakPolarHBondContact O-CB 3.18Å; M674-I677 PolarHBondContact O-N 3.49Å; M674-I677 VanDerWaalsContact O-N 3.14Å; M674-E678 PolarHBondContact O-N 2.87Å; M674-L768 HydrophobicContact CG-CD2 3.77Å; M674-L768 HydrophobicContact SD-CD2 3.8Å; M674-L772 HydrophobicContact CE-CD2 3.73Å; M674-L772 HydrophobicContact SD-CD2 4.14Å; M674-W820 HydrophobicContact CE-CD2 4.02Å; M674-W820 HydrophobicContact CE-CE3 4.3Å; M674-W820 HydrophobicContact CE-CG 4.12Å
675	Q	93.7	Very high	94.2	Very high	96 Å²	96	30.3 Å²	30.3	45%	0.449	14%	0.144	S	C	.	.	H	α-helix	trans	-61.7	-41.5	179.7	-63.2	173.1	-3	0	0	111.6	V671 E672 I677 E678 E679	V671-Q675 PolarHBondContact O-N 3.42Å; E672-Q675 WeakPolarHBondContact O-CB 3.1Å; E672-Q675 PolarHBondContact O-N 2.9Å; E672-Q675 VanDerWaalsContact O-N 3.17Å; Q675-I677 VanDerWaalsContact C-N 3.32Å; Q675-I677 PolarHBondContact O-N 3.12Å; Q675-E678 PolarHBondContact O-N 3.09Å; Q675-E679 VanDerWaalsContact O-CB 3.27Å; Q675-E679 WeakPolarHBondContact O-CB 3.5Å; Q675-E679 PolarHBondContact O-N 3.49Å
676	V	97.3	Very high	94.3	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-35.9	175.6	168.9	0	0	0	0	112	L622 R623 F644 E672 L673 M674 F680	L622-V676 HydrophobicContact CB-CG1 3.9Å; R623-V676 HydrophobicContact CB-CG2 3.58Å; R623-V676 HydrophobicContact CG-CG2 3.82Å; F644-V676 HydrophobicContact CE2-CG1 4.48Å; F644-V676 HydrophobicContact CZ-CG1 3.99Å; E672-V676 HydrophobicContact CG-CG2 4.27Å; E672-V676 WeakPolarHBondContact O-CB 3.44Å; E672-V676 VanDerWaalsContact O-CG2 3.26Å; E672-V676 WeakPolarHBondContact O-CG2 3.02Å; E672-V676 PolarHBondContact O-N 2.04Å; L673-V676 PolarHBondContact O-N 2.83Å; M674-V676 VanDerWaalsContact C-N 3.33Å; M674-V676 PolarHBondContact O-N 3.24Å; V676-F680 WeakPolarHBondContact O-CB 3.28Å; V676-F680 PolarHBondContact O-N 2.89Å
677	I	97.2	Very high	94.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-47.5	176.2	-70.8	164	0	0	0	111.2	F644 F645 I648 L673 M674 Q675 E679 F680 I681 V763 Y765	F644-I677 HydrophobicContact CE1-CG1 4.45Å; F645-I677 HydrophobicContact CE1-CG2 3.88Å; F645-I677 HydrophobicContact CZ-CG2 4.29Å; I648-I677 HydrophobicContact CD1-CD1 3.82Å; I648-I677 HydrophobicContact CD1-CG1 3.52Å; I648-I677 HydrophobicContact CG1-CD1 4.26Å; I648-I677 HydrophobicContact CG1-CG1 4.35Å; I648-I677 HydrophobicContact CG2-CD1 3.69Å; L673-I677 HydrophobicContact CD1-CD1 4.17Å; L673-I677 HydrophobicContact CD1-CG1 4.42Å; L673-I677 HydrophobicContact CG-CD1 4.04Å; L673-I677 WeakPolarHBondContact O-CD1 3.47Å; L673-I677 WeakPolarHBondContact O-CG1 3.2Å; L673-I677 PolarHBondContact O-N 3.33Å; M674-I677 WeakPolarHBondContact O-CB 3.18Å; M674-I677 PolarHBondContact O-N 3.49Å; M674-I677 VanDerWaalsContact O-N 3.14Å; Q675-I677 VanDerWaalsContact C-N 3.32Å; Q675-I677 PolarHBondContact O-N 3.12Å; I677-E679 PolarHBondContact O-N 2.79Å; I677-F680 PolarHBondContact O-N 2.59Å; I677-I681 HydrophobicContact CG2-CD1 3.76Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3.34Å; I677-I681 VanDerWaalsContact O-CG1 3.27Å; I677-I681 WeakPolarHBondContact O-CG1 3.44Å; I677-I681 PolarHBondContact O-N 3.39Å; I677-V763 HydrophobicContact CG2-CG2 4.35Å; I677-Y765 HydrophobicContact CD1-CE1 3.9Å; I677-Y765 WeakPolarHBondContact CD1-OH 3.1Å; I677-Y765 WeakPolarHBondContact CG2-OH 3.47Å
678	E	95.2	Very high	94.5	Very high	58 Å²	58	24 Å²	24	27%	0.271	13%	0.132	S	C	.	.	H	α-helix	trans	-59.7	-47.2	176	-70.8	-170.3	-136.5	0	0	111.5	M674 Q675 F680 I681 H682 T789	M674-E678 PolarHBondContact O-N 2.87Å; Q675-E678 PolarHBondContact O-N 3.09Å; E678-F680 VanDerWaalsContact C-N 3.31Å; E678-F680 PolarHBondContact O-N 2.9Å; E678-I681 PolarHBondContact O-N 3.28Å; E678-H682 PolarHBondContact O-CD2 2.91Å; E678-H682 PolarHBondContact O-N 3.09Å; E678-H682 VanDerWaalsContact O-N 3.08Å; E678-T789 HydrophobicContact CB-CG2 4.26Å; E678-T789 HydrophobicContact CG-CG2 3.95Å; E678-T789 WeakPolarHBondContact OE2-CB 3.28Å; E678-T789 PolarHBondContact OE2-OG1 2.92Å
679	E	96.1	Very high	94.5	Very high	38 Å²	38	30 Å²	30	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-42.6	178.5	-169.4	76.4	160.9	0	0	111.7	T626 K630 Q675 I677 H682 I683 R791	T626-E679 HydrophobicContact CG2-CB 3.86Å; T626-E679 HydrophobicContact CG2-CG 3.67Å; K630-E679 WeakPolarHBondContact CD-OE1 3.35Å; K630-E679 WeakPolarHBondContact CE-OE1 3.36Å; K630-E679 IonicContact NZ-OE1 3.93Å; K630-E679 PolarHBondContact NZ-OE1 2.03Å; Q675-E679 VanDerWaalsContact O-CB 3.27Å; Q675-E679 WeakPolarHBondContact O-CB 3.5Å; Q675-E679 PolarHBondContact O-N 3.49Å; I677-E679 PolarHBondContact O-N 2.79Å; E679-H682 PolarHBondContact O-N 3.13Å; E679-I683 WeakPolarHBondContact O-CG1 3.43Å; E679-I683 PolarHBondContact O-N 3.44Å; E679-I683 VanDerWaalsContact O-N 3.17Å; E679-R791 IonicContact OE2-CZ 2.87Å; E679-R791 VanDerWaalsContact OE2-CZ 3.25Å; E679-R791 IonicContact OE2-NH1 3.7Å; E679-R791 PolarHBondContact OE2-NH1 2.86Å; E679-R791 IonicContact OE2-NH2 3.77Å; E679-R791 PolarHBondContact OE2-NH2 2.93Å
680	F	97.6	Very high	94.5	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-40.2	176.2	-173.8	-100.2	0	0	0	112.9	T626 F629 P636 V641 F644 F645 V676 I677 E678 H682 I683 V684	T626-F680 HydrophobicContact CG2-CB 3.96Å; F629-F680 HydrophobicContact CD2-CD2 4.39Å; F629-F680 AromaticContact CD2-CE2 3.94Å; F629-F680 HydrophobicContact CD2-CE2 3.94Å; F629-F680 AromaticContact CE2-CE2 3.96Å; F629-F680 HydrophobicContact CE2-CE2 3.96Å; P636-F680 HydrophobicContact CB-CE2 4.38Å; P636-F680 HydrophobicContact CB-CZ 4.3Å; P636-F680 HydrophobicContact CG-CE2 4.26Å; P636-F680 HydrophobicContact CG-CZ 4.19Å; V641-F680 HydrophobicContact CB-CE1 4.42Å; V641-F680 HydrophobicContact CG1-CE1 4.34Å; V641-F680 HydrophobicContact CG2-CE1 4.09Å; V641-F680 HydrophobicContact CG2-CZ 4.02Å; F644-F680 HydrophobicContact CB-CE1 3.87Å; F644-F680 HydrophobicContact CB-CZ 3.88Å; F644-F680 HydrophobicContact CD1-CB 4.44Å; F644-F680 AromaticContact CD1-CD1 3.32Å; F644-F680 HydrophobicContact CD1-CD1 3.32Å; F644-F680 HydrophobicContact CD1-CD2 4.42Å; F644-F680 AromaticContact CD1-CE1 3.5Å; F644-F680 HydrophobicContact CD1-CE1 3.5Å; F644-F680 VanDerWaalsContact CD1-CE1 3.5Å; F644-F680 AromaticContact CD1-CG 3.82Å; F644-F680 HydrophobicContact CD1-CG 3.82Å; F644-F680 HydrophobicContact CD1-CZ 4.15Å; F644-F680 HydrophobicContact CD2-CD1 4.28Å; F644-F680 AromaticContact CD2-CD2 3.95Å; F644-F680 HydrophobicContact CD2-CD2 3.95Å; F644-F680 HydrophobicContact CD2-CE1 4.24Å; F644-F680 AromaticContact CD2-CE2 3.93Å; F644-F680 HydrophobicContact CD2-CE2 3.93Å; F644-F680 HydrophobicContact CD2-CG 4.13Å; F644-F680 HydrophobicContact CD2-CZ 4.07Å; F644-F680 HydrophobicContact CE1-CB 3.59Å; F644-F680 AromaticContact CE1-CD1 3.33Å; F644-F680 HydrophobicContact CE1-CD1 3.33Å; F644-F680 HydrophobicContact CE1-CD2 4.22Å; F644-F680 HydrophobicContact CE1-CE1 4.02Å; F644-F680 AromaticContact CE1-CG 3.45Å; F644-F680 HydrophobicContact CE1-CG 3.45Å; F644-F680 VanDerWaalsContact CE1-CG 3.45Å; F644-F680 HydrophobicContact CE2-CB 4.14Å; F644-F680 HydrophobicContact CE2-CD1 4.3Å; F644-F680 AromaticContact CE2-CD2 3.74Å; F644-F680 HydrophobicContact CE2-CD2 3.74Å; F644-F680 HydrophobicContact CE2-CE2 4.2Å; F644-F680 AromaticContact CE2-CG 3.8Å; F644-F680 HydrophobicContact CE2-CG 3.8Å; F644-F680 AromaticContact CG-CD1 3.82Å; F644-F680 HydrophobicContact CG-CD1 3.82Å; F644-F680 HydrophobicContact CG-CD2 4.29Å; F644-F680 AromaticContact CG-CE1 3.63Å; F644-F680 HydrophobicContact CG-CE1 3.63Å; F644-F680 HydrophobicContact CG-CE2 4.13Å; F644-F680 HydrophobicContact CG-CG 4.15Å; F644-F680 AromaticContact CG-CZ 3.79Å; F644-F680 HydrophobicContact CG-CZ 3.79Å; F644-F680 HydrophobicContact CZ-CB 3.41Å; F644-F680 VanDerWaalsContact CZ-CB 3.41Å; F644-F680 AromaticContact CZ-CD1 3.86Å; F644-F680 HydrophobicContact CZ-CD1 3.86Å; F644-F680 AromaticContact CZ-CD2 3.89Å; F644-F680 HydrophobicContact CZ-CD2 3.89Å; F644-F680 AromaticContact CZ-CG 3.44Å; F644-F680 HydrophobicContact CZ-CG 3.44Å; F644-F680 VanDerWaalsContact CZ-CG 3.44Å; F645-F680 HydrophobicContact CD2-CE1 4.41Å; F645-F680 AromaticContact CE2-CD1 3.88Å; F645-F680 HydrophobicContact CE2-CD1 3.88Å; F645-F680 AromaticContact CE2-CE1 3.97Å; F645-F680 HydrophobicContact CE2-CE1 3.97Å; F645-F680 HydrophobicContact CZ-CD1 4.4Å; V676-F680 WeakPolarHBondContact O-CB 3.28Å; V676-F680 PolarHBondContact O-N 2.89Å; I677-F680 PolarHBondContact O-N 2.59Å; E678-F680 VanDerWaalsContact C-N 3.31Å; E678-F680 PolarHBondContact O-N 2.9Å; F680-H682 VanDerWaalsContact C-N 3.25Å; F680-H682 PolarHBondContact O-N 2.65Å; F680-I683 PolarHBondContact O-N 3.18Å; F680-I683 VanDerWaalsContact O-N 3.13Å; F680-V684 HydrophobicContact CD1-CG2 4.01Å; F680-V684 HydrophobicContact CE1-CG2 3.67Å; F680-V684 HydrophobicContact CZ-CG2 4Å; F680-V684 WeakPolarHBondContact O-CG2 3.17Å; F680-V684 PolarHBondContact O-N 3.5Å
681	I	97.3	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-42.1	174.8	-75.9	168.1	0	0	0	111.1	F645 I677 E678 V684 G685 I705 V763	F645-I681 HydrophobicContact CZ-CD1 4.15Å; F645-I681 HydrophobicContact CZ-CG1 3.78Å; I677-I681 HydrophobicContact CG2-CD1 3.76Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3.34Å; I677-I681 VanDerWaalsContact O-CG1 3.27Å; I677-I681 WeakPolarHBondContact O-CG1 3.44Å; I677-I681 PolarHBondContact O-N 3.39Å; E678-I681 PolarHBondContact O-N 3.28Å; I681-V684 PolarHBondContact O-N 2.99Å; I681-G685 PolarHBondContact O-N 3.16Å; I681-I705 HydrophobicContact CB-CD1 4.29Å; I681-I705 HydrophobicContact CG1-CD1 4.01Å; I681-I705 HydrophobicContact CG1-CG1 4.3Å; I681-I705 HydrophobicContact CG2-CD1 4.09Å; I681-I705 HydrophobicContact CG2-CG1 3.91Å; I681-I705 HydrophobicContact CG2-CG2 4.07Å; I681-V763 HydrophobicContact CD1-CG2 3.43Å; I681-V763 VanDerWaalsContact CD1-CG2 3.43Å
682	H	95.4	Very high	94.3	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-70.4	-33	178	-70.1	-60.6	0	0	0	113.1	E678 E679 F680 G685 L686 I759 T789 R791	E678-H682 PolarHBondContact O-CD2 2.91Å; E678-H682 PolarHBondContact O-N 3.09Å; E678-H682 VanDerWaalsContact O-N 3.08Å; E679-H682 PolarHBondContact O-N 3.13Å; F680-H682 VanDerWaalsContact C-N 3.25Å; F680-H682 PolarHBondContact O-N 2.65Å; H682-G685 PolarHBondContact O-N 2.85Å; H682-L686 WeakPolarHBondContact O-CG 3.42Å; H682-L686 PolarHBondContact O-N 2.04Å; H682-L686 VanDerWaalsContact O-N 3.17Å; H682-I759 WeakPolarHBondContact ND1-CG2 3.24Å; H682-T789 WeakPolarHBondContact NE2-CG2 3.29Å; H682-T789 PolarHBondContact NE2-OG1 2.76Å; H682-R791 VanDerWaalsContact CD2-CD 3.46Å; H682-R791 WeakPolarHBondContact CD2-CD 3.35Å; H682-R791 VanDerWaalsContact CD2-CZ 3.42Å; H682-R791 PolarHBondContact CD2-NE 3.44Å; H682-R791 VanDerWaalsContact CD2-NE 3.31Å
683	I	95.8	Very high	94.2	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-45.6	170.9	-64.3	165.9	0	0	0	110.7	T626 F629 K630 P636 E679 F680 G685 L686	T626-I683 HydrophobicContact CG2-CD1 3.66Å; T626-I683 WeakPolarHBondContact O-CD1 3.41Å; F629-I683 HydrophobicContact CB-CD1 4.23Å; F629-I683 HydrophobicContact CB-CG2 4.23Å; K630-I683 HydrophobicContact CB-CD1 3.84Å; K630-I683 HydrophobicContact CB-CG1 4.25Å; P636-I683 HydrophobicContact CG-CG2 4.45Å; E679-I683 WeakPolarHBondContact O-CG1 3.43Å; E679-I683 PolarHBondContact O-N 3.44Å; E679-I683 VanDerWaalsContact O-N 3.17Å; F680-I683 PolarHBondContact O-N 3.18Å; F680-I683 VanDerWaalsContact O-N 3.13Å; I683-G685 PolarHBondContact O-N 3.32Å; I683-L686 PolarHBondContact O-N 2.88Å
684	V	96.4	Very high	94.1	Very high	18 Å²	18	47.4 Å²	47.4	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-43.5	177.1	176.9	0	0	0	0	111	P636 V641 F680 I681 L686 G687 M688 I705	P636-V684 HydrophobicContact CG-CG2 3.86Å; V641-V684 HydrophobicContact CG1-CG2 4.48Å; V641-V684 HydrophobicContact CG2-CG1 4.24Å; V641-V684 HydrophobicContact CG2-CG2 3.57Å; F680-V684 HydrophobicContact CD1-CG2 4.01Å; F680-V684 HydrophobicContact CE1-CG2 3.67Å; F680-V684 HydrophobicContact CZ-CG2 4Å; F680-V684 WeakPolarHBondContact O-CG2 3.17Å; F680-V684 PolarHBondContact O-N 3.5Å; I681-V684 PolarHBondContact O-N 2.99Å; V684-L686 VanDerWaalsContact C-N 3.27Å; V684-L686 PolarHBondContact O-N 2.89Å; V684-G687 PolarHBondContact O-N 3Å; V684-M688 HydrophobicContact CG1-CG 4.5Å; V684-M688 HydrophobicContact CG1-SD 4.19Å; V684-M688 WeakPolarHBondContact O-CG 3.05Å; V684-M688 PolarHBondContact O-N 3.23Å; V684-I705 HydrophobicContact CB-CD1 3.97Å; V684-I705 HydrophobicContact CG1-CD1 3.81Å
685	G	94.4	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-30.8	178.3	0	0	0	0	0	114.2	I681 H682 I683 M688 I759	I681-G685 PolarHBondContact O-N 3.16Å; H682-G685 PolarHBondContact O-N 2.85Å; I683-G685 PolarHBondContact O-N 3.32Å; G685-M688 PolarHBondContact O-N 3.43Å; G685-I759 VanDerWaalsContact C-CD1 3.47Å
686	L	92.4	Very high	94	Very high	120 Å²	120	43.6 Å²	43.6	63%	0.628	22%	0.22	S	C	*	.	H	α-helix	trans	-68.3	-33.1	177	-74.9	167.5	0	0	0	113.1	H682 I683 V684 R707 I759	H682-L686 WeakPolarHBondContact O-CG 3.42Å; H682-L686 PolarHBondContact O-N 2.04Å; H682-L686 VanDerWaalsContact O-N 3.17Å; I683-L686 PolarHBondContact O-N 2.88Å; V684-L686 VanDerWaalsContact C-N 3.27Å; V684-L686 PolarHBondContact O-N 2.89Å; L686-R707 PolarHBondContact O-NH1 3.14Å; L686-I759 HydrophobicContact CB-CD1 4.42Å; L686-I759 HydrophobicContact CD2-CD1 3.85Å; L686-I759 HydrophobicContact CG-CD1 3.7Å
687	G	90.8	Very high	93.8	Very high	33 Å²	33	46.5 Å²	46.5	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-86	-12.2	174.8	0	0	0	0	0	114.5	V684	V684-G687 PolarHBondContact O-N 3Å
688	M	93.8	Very high	93.7	Very high	20 Å²	20	47 Å²	47	10%	0.099	24%	0.237	C	C	.	.	S	Bend	trans	-70.4	153.9	175.3	-77.6	173.6	42	0	0	112	V684 G685 H692 A694 I705 R707	V684-M688 HydrophobicContact CG1-CG 4.5Å; V684-M688 HydrophobicContact CG1-SD 4.19Å; V684-M688 WeakPolarHBondContact O-CG 3.05Å; V684-M688 PolarHBondContact O-N 3.23Å; G685-M688 PolarHBondContact O-N 3.43Å; M688-H692 HydrophobicContact CE-CB 4Å; M688-H692 WeakPolarHBondContact CE-O 3.48Å; M688-A694 HydrophobicContact CE-CB 4.4Å; M688-A694 HydrophobicContact SD-CB 4.06Å; M688-I705 HydrophobicContact CE-CG2 4.3Å; M688-I705 WeakPolarHBondContact CE-O 3.3Å; M688-I705 HydrophobicContact SD-CB 4.05Å; M688-I705 HydrophobicContact SD-CG2 3.67Å; M688-R707 HydrophobicContact CB-CB 4.41Å; M688-R707 HydrophobicContact CE-CB 4.31Å; M688-R707 WeakPolarHBondContact O-CD 3.41Å; M688-R707 VanDerWaalsContact O-CZ 3.29Å; M688-R707 PolarHBondContact O-NE 2.85Å; M688-R707 PolarHBondContact O-NH1 3.27Å
689	K	91.6	Very high	93.6	Very high	173 Å²	173	45.9 Å²	45.9	75%	0.752	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-79.7	153.7	169.7	-63.5	-177.1	-179.6	-179.4	0	111	H692	K689-H692 WeakPolarHBondContact O-CB 3.06Å; K689-H692 PolarHBondContact O-N 2.86Å; K689-H692 VanDerWaalsContact O-N 3.15Å
690	D	90.4	Very high	93.5	Very high	69 Å²	69	44.1 Å²	44.1	37%	0.369	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	149.3	176.5	-56.5	-50.4	0	0	0	111.5	H692 R707 P709	D690-H692 PolarHBondContact O-N 3.33Å; D690-R707 IonicContact OD1-CZ 2.81Å; D690-R707 IonicContact OD1-NE 2.72Å; D690-R707 PolarHBondContact OD1-NE 3.32Å; D690-R707 IonicContact OD1-NH2 3.2Å; D690-P709 HydrophobicContact CB-CG 4.1Å
691	F	89.6	Confident	93.4	Very high	148 Å²	148	44 Å²	44	65%	0.649	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	-2.9	-172.8	-45	-90.9	0	0	0	115.2	R707 P709	F691-R707 WeakPolarHBondContact CA-O 3.36Å; F691-R707 PolarHBondContact N-O 2.9Å; F691-P709 HydrophobicContact CE1-CG 4.32Å; F691-P709 HydrophobicContact CE2-CG 4.19Å; F691-P709 HydrophobicContact CZ-CG 3.97Å
692	H	92.3	Very high	93.4	Very high	99 Å²	99	44 Å²	44	46%	0.458	23%	0.233	S	C	.	.			trans	-71.9	140.7	178.3	-165	-93.7	0	0	0	111.2	M688 K689 D690 Q706 R707	M688-H692 HydrophobicContact CE-CB 4Å; M688-H692 WeakPolarHBondContact CE-O 3.48Å; K689-H692 WeakPolarHBondContact O-CB 3.06Å; K689-H692 PolarHBondContact O-N 2.86Å; K689-H692 VanDerWaalsContact O-N 3.15Å; D690-H692 PolarHBondContact O-N 3.33Å; H692-Q706 WeakPolarHBondContact O-CA 3.2Å; H692-R707 PolarHBondContact O-N 2.98Å
693	N	91.3	Very high	93.4	Very high	53 Å²	53	43.7 Å²	43.7	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	99.1	-176.3	-173.4	-27	0	0	0	109.5	Y695 I705 Q706	N693-Y695 WeakPolarHBondContact OD1-CD2 3.18Å; N693-Y695 WeakPolarHBondContact OD1-CE2 3.19Å; N693-I705 CarbonylContact C-O 3.59Å; N693-I705 WeakPolarHBondContact CA-O 3.43Å; N693-Q706 HydrophobicContact CB-CG 4.34Å; N693-Q706 PolarHBondContact ND2-NE2 3.15Å; N693-Q706 VanDerWaalsContact ND2-NE2 3.2Å; N693-Q706 PolarHBondContact ND2-OE1 2.84Å
694	A	92.8	Very high	93.4	Very high	23 Å²	23	43.1 Å²	43.1	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131	-179.3	0	0	0	0	0	110.3	M688 S704 I705	M688-A694 HydrophobicContact CE-CB 4.4Å; M688-A694 HydrophobicContact SD-CB 4.06Å; A694-S704 WeakPolarHBondContact O-CA 3.38Å; A694-I705 PolarHBondContact N-O 2.74Å; A694-I705 PolarHBondContact O-N 3.13Å
695	Y	92.4	Very high	93.4	Very high	26 Å²	26	42.2 Å²	42.2	10%	0.102	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.1	174.7	-94.3	-114.6	0	0	0	110.1	N693 V702 A703 F719 M721 R724 M727	N693-Y695 WeakPolarHBondContact OD1-CD2 3.18Å; N693-Y695 WeakPolarHBondContact OD1-CE2 3.19Å; Y695-V702 HydrophobicContact CD1-CG1 4.5Å; Y695-A703 WeakPolarHBondContact CA-O 3.01Å; Y695-F719 HydrophobicContact CE1-CD2 4.36Å; Y695-F719 HydrophobicContact CE1-CE2 4.22Å; Y695-M721 HydrophobicContact CE2-SD 4.3Å; Y695-M721 VanDerWaalsContact OH-CG 3.27Å; Y695-M721 WeakPolarHBondContact OH-CG 3.33Å; Y695-R724 VanDerWaalsContact CE2-NH1 3.28Å; Y695-M727 HydrophobicContact CD1-CE 4.05Å; Y695-M727 HydrophobicContact CE1-CE 3.77Å
696	L	94.2	Very high	93.4	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.8	-176.8	-53.8	171.9	0	0	0	107.1	V641 F645 V702 A703 I705	V641-L696 HydrophobicContact CG1-CD1 3.47Å; V641-L696 VanDerWaalsContact CG1-CD1 3.47Å; V641-L696 HydrophobicContact CG1-CD2 3.8Å; V641-L696 HydrophobicContact CG1-CG 4.31Å; F645-L696 HydrophobicContact CD2-CD1 3.45Å; F645-L696 VanDerWaalsContact CD2-CD1 3.45Å; F645-L696 HydrophobicContact CE2-CD1 3.36Å; F645-L696 HydrophobicContact CG-CD1 4.24Å; F645-L696 HydrophobicContact CZ-CD1 4.1Å; L696-V702 CarbonylContact O-C 3.59Å; L696-V702 WeakPolarHBondContact O-CA 3.28Å; L696-A703 HydrophobicContact CB-CB 4.36Å; L696-A703 PolarHBondContact N-O 3.33Å; L696-A703 PolarHBondContact O-N 2.88Å; L696-I705 HydrophobicContact CD1-CD1 4.01Å
697	M	92.9	Very high	93.5	Very high	69 Å²	69	39.8 Å²	39.8	34%	0.34	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.3	-164.5	-61.1	176.2	-63.4	0	0	109.8	V702 G726 M727	M697-V702 HydrophobicContact CB-CG2 4.39Å; M697-V702 HydrophobicContact CG-CG1 4.15Å; M697-V702 HydrophobicContact CG-CG2 4.25Å; M697-G726 VanDerWaalsContact CE-O 3.24Å; M697-G726 WeakPolarHBondContact CE-O 3.21Å; M697-M727 HydrophobicContact SD-SD 4Å
698	T	94.8	Very high	93.5	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.194	C	C	.	.			trans	-137.8	-176.3	-173.2	70.7	0	0	0	0	111.4	F645 S649 N700 L701 W730	F645-T698 HydrophobicContact CB-CG2 4.42Å; S649-T698 WeakPolarHBondContact CB-OG1 3.18Å; S649-T698 WeakPolarHBondContact OG-CB 3.47Å; S649-T698 PolarHBondContact OG-OG1 3.39Å; T698-N700 VanDerWaalsContact C-N 3.32Å; T698-N700 PolarHBondContact O-N 2.66Å; T698-N700 PolarHBondContact OG1-N 3.4Å; T698-L701 PolarHBondContact N-O 3.38Å; T698-L701 PolarHBondContact OG1-N 2.75Å; T698-L701 PolarHBondContact OG1-O 2.73Å; T698-W730 PolarHBondContact O-NE1 3.11Å
699	G	92.9	Very high	93.2	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	19%	0.194	S	C	.	.	S	Bend	trans	-65.2	-30.4	176	0	0	0	0	0	114.3	S649 W730 K766	S649-G699 PolarHBondContact OG-N 3.38Å; G699-W730 PolarHBondContact O-NE1 2.82Å; G699-K766 VanDerWaalsContact O-CD 3.28Å; G699-K766 WeakPolarHBondContact O-CD 3.33Å; G699-K766 PolarHBondContact O-NZ 2.9Å
700	N	94.9	Very high	92.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-129.1	-6.3	-172.3	-65.9	-45.4	0	0	0	116.2	S649 L652 E653 T698 K766	S649-N700 PolarHBondContact O-ND2 3.47Å; S649-N700 PolarHBondContact OG-N 2.76Å; S649-N700 VanDerWaalsContact OG-N 3.16Å; L652-N700 HydrophobicContact CB-CB 4.19Å; L652-N700 PolarHBondContact O-ND2 3.5Å; E653-N700 PolarHBondContact OE2-ND2 2.86Å; T698-N700 VanDerWaalsContact C-N 3.32Å; T698-N700 PolarHBondContact O-N 2.66Å; T698-N700 PolarHBondContact OG1-N 3.4Å; N700-K766 VanDerWaalsContact O-CB 3.32Å; N700-K766 WeakPolarHBondContact O-CB 3.43Å; N700-K766 PolarHBondContact O-N 2.97Å; N700-K766 PolarHBondContact OD1-NZ 3.1Å
701	L	95.5	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.8	168.5	76.4	97.4	0	0	0	113	F645 I648 T698 A703 V763 L764 Y765	F645-L701 HydrophobicContact CD1-CD1 3.51Å; F645-L701 HydrophobicContact CD1-CD2 4.06Å; F645-L701 HydrophobicContact CD1-CG 4.39Å; F645-L701 HydrophobicContact CE1-CD1 3.99Å; F645-L701 HydrophobicContact CG-CD1 4.45Å; I648-L701 HydrophobicContact CB-CD2 3.89Å; I648-L701 HydrophobicContact CG2-CD2 3.38Å; T698-L701 PolarHBondContact N-O 3.38Å; T698-L701 PolarHBondContact OG1-N 2.75Å; T698-L701 PolarHBondContact OG1-O 2.73Å; L701-A703 HydrophobicContact CD1-CB 4.18Å; L701-V763 HydrophobicContact CB-CG1 4.48Å; L701-V763 HydrophobicContact CD1-CG1 4.18Å; L701-L764 VanDerWaalsContact CA-O 3.32Å; L701-L764 WeakPolarHBondContact CA-O 3.43Å; L701-Y765 HydrophobicContact CB-CD1 3.92Å; L701-Y765 HydrophobicContact CB-CE1 4.42Å
702	V	95.8	Very high	91.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134	164.3	171.7	0	0	0	0	108.2	Y695 L696 M697 F719 M727 V728 W730 A731 V763 L764	Y695-V702 HydrophobicContact CD1-CG1 4.5Å; L696-V702 CarbonylContact O-C 3.59Å; L696-V702 WeakPolarHBondContact O-CA 3.28Å; M697-V702 HydrophobicContact CB-CG2 4.39Å; M697-V702 HydrophobicContact CG-CG1 4.15Å; M697-V702 HydrophobicContact CG-CG2 4.25Å; V702-F719 HydrophobicContact CG1-CE2 4.18Å; V702-F719 HydrophobicContact CG1-CZ 4.2Å; V702-M727 HydrophobicContact CG1-SD 4.21Å; V702-M727 HydrophobicContact CG2-SD 4.34Å; V702-V728 HydrophobicContact CG2-CG1 3.56Å; V702-W730 HydrophobicContact CG2-CH2 4.21Å; V702-W730 HydrophobicContact CG2-CZ2 3.85Å; V702-A731 HydrophobicContact CB-CB 4.48Å; V702-A731 HydrophobicContact CG2-CB 3.67Å; V702-V763 CarbonylContact O-C 3.52Å; V702-V763 WeakPolarHBondContact O-CA 3.23Å; V702-L764 PolarHBondContact N-O 2.7Å; V702-L764 PolarHBondContact O-N 3.19Å
703	A	96.4	Very high	90.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.7	174.4	0	0	0	0	0	111.7	F645 Y695 L696 L701 T762 V763	F645-A703 HydrophobicContact CE1-CB 4.22Å; F645-A703 HydrophobicContact CZ-CB 4.45Å; Y695-A703 WeakPolarHBondContact CA-O 3.01Å; L696-A703 HydrophobicContact CB-CB 4.36Å; L696-A703 PolarHBondContact N-O 3.33Å; L696-A703 PolarHBondContact O-N 2.88Å; L701-A703 HydrophobicContact CD1-CB 4.18Å; A703-T762 CarbonylContact C-O 3.57Å; A703-T762 WeakPolarHBondContact CA-O 3.03Å; A703-V763 HydrophobicContact CB-CG1 4.29Å; A703-V763 HydrophobicContact CB-CG2 4.04Å
704	S	95.6	Very high	90.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	169.7	129.3	0	0	0	0	109	A694 Q706 T762	A694-S704 WeakPolarHBondContact O-CA 3.38Å; S704-Q706 PolarHBondContact OG-NE2 2.99Å; S704-T762 WeakPolarHBondContact CB-OG1 3.37Å; S704-T762 PolarHBondContact N-O 2.8Å; S704-T762 PolarHBondContact O-N 3.42Å; S704-T762 PolarHBondContact O-OG1 2.86Å; S704-T762 PolarHBondContact OG-OG1 3.19Å
705	I	96.7	Very high	90.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.3	178.2	-47	-179	0	0	0	106.6	I681 V684 M688 N693 A694 L696 I759 L760	I681-I705 HydrophobicContact CB-CD1 4.29Å; I681-I705 HydrophobicContact CG1-CD1 4.01Å; I681-I705 HydrophobicContact CG1-CG1 4.3Å; I681-I705 HydrophobicContact CG2-CD1 4.09Å; I681-I705 HydrophobicContact CG2-CG1 3.91Å; I681-I705 HydrophobicContact CG2-CG2 4.07Å; V684-I705 HydrophobicContact CB-CD1 3.97Å; V684-I705 HydrophobicContact CG1-CD1 3.81Å; M688-I705 HydrophobicContact CE-CG2 4.3Å; M688-I705 WeakPolarHBondContact CE-O 3.3Å; M688-I705 HydrophobicContact SD-CB 4.05Å; M688-I705 HydrophobicContact SD-CG2 3.67Å; N693-I705 CarbonylContact C-O 3.59Å; N693-I705 WeakPolarHBondContact CA-O 3.43Å; A694-I705 PolarHBondContact N-O 2.74Å; A694-I705 PolarHBondContact O-N 3.13Å; L696-I705 HydrophobicContact CD1-CD1 4.01Å; I705-I759 HydrophobicContact CG2-CG2 4.37Å; I705-L760 WeakPolarHBondContact CA-O 3.46Å
706	Q	94.6	Very high	90.1	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.1	-175.8	-43.1	-171.7	17.7	0	0	110.4	H692 N693 S704 L708 I759 L760	H692-Q706 WeakPolarHBondContact O-CA 3.2Å; N693-Q706 HydrophobicContact CB-CG 4.34Å; N693-Q706 PolarHBondContact ND2-NE2 3.15Å; N693-Q706 VanDerWaalsContact ND2-NE2 3.2Å; N693-Q706 PolarHBondContact ND2-OE1 2.84Å; S704-Q706 PolarHBondContact OG-NE2 2.99Å; Q706-L708 HydrophobicContact CB-CD1 4.24Å; Q706-L708 HydrophobicContact CB-CD2 4.14Å; Q706-L708 HydrophobicContact CB-CG 4.04Å; Q706-I759 WeakPolarHBondContact O-CA 3.38Å; Q706-L760 HydrophobicContact CB-CB 4.31Å; Q706-L760 PolarHBondContact N-O 3.17Å; Q706-L760 PolarHBondContact O-N 2.93Å
707	R	93.8	Very high	90	Very high	55 Å²	55	36.1 Å²	36.1	21%	0.208	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	176.3	-175	173.6	166.3	139.3	3.2	109.8	L686 M688 D690 F691 H692 V757	L686-R707 PolarHBondContact O-NH1 3.14Å; M688-R707 HydrophobicContact CB-CB 4.41Å; M688-R707 HydrophobicContact CE-CB 4.31Å; M688-R707 WeakPolarHBondContact O-CD 3.41Å; M688-R707 VanDerWaalsContact O-CZ 3.29Å; M688-R707 PolarHBondContact O-NE 2.85Å; M688-R707 PolarHBondContact O-NH1 3.27Å; D690-R707 IonicContact OD1-CZ 2.81Å; D690-R707 IonicContact OD1-NE 2.72Å; D690-R707 PolarHBondContact OD1-NE 3.32Å; D690-R707 IonicContact OD1-NH2 3.2Å; F691-R707 WeakPolarHBondContact CA-O 3.36Å; F691-R707 PolarHBondContact N-O 2.9Å; H692-R707 PolarHBondContact O-N 2.98Å; R707-V757 HydrophobicContact CG-CG1 3.42Å; R707-V757 VanDerWaalsContact CG-CG1 3.42Å
708	L	91.3	Very high	90	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	107.3	-160.8	-59.8	175.5	0	0	0	111.3	Q706 V713 I717 F745 F758 L760	Q706-L708 HydrophobicContact CB-CD1 4.24Å; Q706-L708 HydrophobicContact CB-CD2 4.14Å; Q706-L708 HydrophobicContact CB-CG 4.04Å; L708-V713 HydrophobicContact CB-CG2 4.24Å; L708-V713 HydrophobicContact CD1-CG2 4.22Å; L708-I717 HydrophobicContact CD1-CD1 3.59Å; L708-F745 HydrophobicContact CD1-CD1 4.36Å; L708-F745 HydrophobicContact CD1-CE1 3.94Å; L708-F745 HydrophobicContact CD1-CZ 4.1Å; L708-F758 PolarHBondContact N-O 2.91Å; L708-F758 PolarHBondContact O-N 3.1Å; L708-L760 HydrophobicContact CD1-CB 3.89Å; L708-L760 HydrophobicContact CD1-CD2 3.98Å
709	P	87.7	Confident	89.9	Confident	16 Å²	16	36.5 Å²	36.5	10%	0.104	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	141.2	169.6	-26.2	36.3	0	0	0	113	D690 F691 V711 S712	D690-P709 HydrophobicContact CB-CG 4.1Å; F691-P709 HydrophobicContact CE1-CG 4.32Å; F691-P709 HydrophobicContact CE2-CG 4.19Å; F691-P709 HydrophobicContact CZ-CG 3.97Å; P709-V711 PolarHBondContact O-N 3.07Å; P709-S712 PolarHBondContact O-N 2.87Å; P709-S712 PolarHBondContact O-OG 3.32Å
710	A	76.8	Confident	89.8	Confident	4 Å²	4	35 Å²	35	3%	0.033	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	19.4	-169.6	0	0	0	0	0	117.5	F745 S747 P756 F758	A710-F745 CarbonylContact C-O 3.6Å; A710-F745 WeakPolarHBondContact CA-O 3.3Å; A710-S747 PolarHBondContact O-N 2.72Å; A710-P756 HydrophobicContact CB-CB 4.13Å; A710-P756 HydrophobicContact CB-CG 3.66Å; A710-P756 WeakPolarHBondContact CB-O 3.29Å; A710-P756 PolarHBondContact N-O 2.99Å; A710-F758 HydrophobicContact CB-CD2 4.01Å; A710-F758 HydrophobicContact CB-CE2 3.49Å; A710-F758 VanDerWaalsContact CB-CE2 3.49Å; A710-F758 HydrophobicContact CB-CZ 4.49Å
711	V	71.4	Confident	89.2	Confident	129 Å²	129	39.3 Å²	39.3	78%	0.782	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.7	1.4	172.9	-151.5	0	0	0	0	111.8	P709	P709-V711 PolarHBondContact O-N 3.07Å
712	S	79.1	Confident	88.4	Confident	37 Å²	37	44.2 Å²	44.2	26%	0.259	24%	0.235	S	C	.	.			trans	-89.5	-15.1	-175	64.2	0	0	0	0	115.1	P709 M714	P709-S712 PolarHBondContact O-N 2.87Å; P709-S712 PolarHBondContact O-OG 3.32Å; S712-M714 PolarHBondContact O-N 3.27Å
713	V	83.8	Confident	87.2	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.158	27%	0.27	C	S	.	.			trans	-83.4	86	-172.7	-170.9	0	0	0	0	110	L708 T715 I717 K742 F745	L708-V713 HydrophobicContact CB-CG2 4.24Å; L708-V713 HydrophobicContact CD1-CG2 4.22Å; V713-T715 WeakPolarHBondContact CG1-O 3.48Å; V713-I717 HydrophobicContact CG1-CD1 3.94Å; V713-I717 HydrophobicContact CG1-CG1 4.1Å; V713-K742 HydrophobicContact CB-CB 4.45Å; V713-K742 HydrophobicContact CG1-CB 3.78Å; V713-K742 WeakPolarHBondContact O-CB 3.38Å; V713-F745 HydrophobicContact CB-CB 4.25Å; V713-F745 HydrophobicContact CB-CD2 4.11Å; V713-F745 HydrophobicContact CB-CG 4.4Å; V713-F745 HydrophobicContact CG1-CD2 3.9Å; V713-F745 HydrophobicContact CG1-CE2 4.39Å; V713-F745 HydrophobicContact CG2-CB 3.9Å; V713-F745 HydrophobicContact CG2-CD2 3.91Å; V713-F745 HydrophobicContact CG2-CG 3.87Å
714	M	82.9	Confident	86.1	Confident	155 Å²	155	52.4 Å²	52.4	76%	0.764	29%	0.288	S	S	*	.			trans	-80.4	-20.6	-177.6	-62.2	-163.9	-65.8	0	0	114.2	S712 K742	S712-M714 PolarHBondContact O-N 3.27Å; M714-K742 WeakPolarHBondContact O-CD 3.43Å; M714-K742 PolarHBondContact O-NZ 3.03Å
715	T	89.5	Confident	84.9	Confident	102 Å²	102	62.4 Å²	62.4	63%	0.626	33%	0.331	S	S	*	.	S	Bend	trans	-134.8	153	-177.1	55.7	0	0	0	0	110.6	V713	V713-T715 WeakPolarHBondContact CG1-O 3.48Å
716	D	91.1	Very high	84	Confident	68 Å²	68	65.2 Å²	65.2	36%	0.364	36%	0.361	S	S	.	.			trans	-67.1	143.4	179.6	-46	-66.5	0	0	0	111.4	V739 I740 P741 K742	D716-V739 HydrophobicContact CB-CG1 3.99Å; D716-I740 WeakPolarHBondContact CA-O 3.44Å; D716-P741 VanDerWaalsContact OD1-CA 3.32Å; D716-P741 WeakPolarHBondContact OD1-CA 3.1Å; D716-K742 WeakPolarHBondContact OD1-CG 3.38Å; D716-K742 PolarHBondContact OD1-N 3.45Å
717	I	92.1	Very high	83.7	Confident	21 Å²	21	65 Å²	65	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.7	-169.2	-58.8	174.2	0	0	0	109.3	L708 V713 I740 F745 L760	L708-I717 HydrophobicContact CD1-CD1 3.59Å; V713-I717 HydrophobicContact CG1-CD1 3.94Å; V713-I717 HydrophobicContact CG1-CG1 4.1Å; I717-I740 HydrophobicContact CB-CB 4.28Å; I717-I740 PolarHBondContact N-O 3.33Å; I717-I740 PolarHBondContact O-N 3.02Å; I717-F745 HydrophobicContact CD1-CE2 3.98Å; I717-F745 HydrophobicContact CD1-CZ 4.25Å; I717-L760 HydrophobicContact CD1-CD2 3.79Å; I717-L760 HydrophobicContact CG2-CD2 4.09Å
718	N	92.9	Very high	83.6	Confident	85 Å²	85	64.3 Å²	64.3	46%	0.455	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.5	179.7	-69.9	-81	0	0	0	111
719	F	93.9	Very high	83.4	Confident	1 Å²	1	67.8 Å²	67.8	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.9	175.8	173.7	-96.5	0	0	0	111.7	Y695 V702 K737 V738 T762 L764 I786	Y695-F719 HydrophobicContact CE1-CD2 4.36Å; Y695-F719 HydrophobicContact CE1-CE2 4.22Å; V702-F719 HydrophobicContact CG1-CE2 4.18Å; V702-F719 HydrophobicContact CG1-CZ 4.2Å; F719-K737 CarbonylContact O-C 3.6Å; F719-K737 WeakPolarHBondContact O-CA 3.27Å; F719-V738 HydrophobicContact CB-CG1 4Å; F719-V738 HydrophobicContact CD1-CG1 4.08Å; F719-V738 PolarHBondContact N-O 3.05Å; F719-V738 PolarHBondContact O-N 3.39Å; F719-T762 HydrophobicContact CB-CG2 4.39Å; F719-T762 HydrophobicContact CD1-CG2 4.44Å; F719-T762 HydrophobicContact CG-CG2 4.31Å; F719-L764 HydrophobicContact CE1-CB 3.85Å; F719-L764 HydrophobicContact CZ-CB 4.18Å; F719-I786 HydrophobicContact CD1-CD1 4.29Å
720	P	89.1	Confident	83.6	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.032	38%	0.384	C	S	.	.	S	Bend	cis	-73.6	150.4	-8.5	31.7	-35	0	0	0	112.3	K722 M727 L764	P720-K722 PolarHBondContact O-N 2.98Å; P720-M727 HydrophobicContact CB-CE 4.07Å; P720-L764 HydrophobicContact CG-CD2 4.25Å
721	M	83.4	Confident	84.3	Confident	90 Å²	90	69.2 Å²	69.2	44%	0.443	38%	0.383	S	S	.	.			trans	-66.2	97.3	175.4	-75.4	175.9	81.5	0	0	111.8	Y695	Y695-M721 HydrophobicContact CE2-SD 4.3Å; Y695-M721 VanDerWaalsContact OH-CG 3.27Å; Y695-M721 WeakPolarHBondContact OH-CG 3.33Å
722	K	77.7	Confident	85.2	Confident	103 Å²	103	68.5 Å²	68.5	45%	0.448	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	140	175.3	-50.2	-160.2	-173.7	-163.2	0	110	P720 S734 E735	P720-K722 PolarHBondContact O-N 2.98Å; K722-S734 PolarHBondContact NZ-O 3.09Å; K722-E735 VanDerWaalsContact NZ-C 3.31Å; K722-E735 PolarHBondContact NZ-O 3.48Å
723	G	71.2	Confident	85.6	Confident	70 Å²	70	72.3 Å²	72.3	72%	0.722	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-4.3	-178.9	0	0	0	0	0	117.1	K725	G723-K725 PolarHBondContact O-N 2.86Å
724	R	74	Confident	85.7	Confident	102 Å²	102	71.5 Å²	71.5	39%	0.385	38%	0.379	S	S	.	.			trans	-65.6	123	176	-167.9	178.3	-170.6	166	4	111.2	Y695 G726 M727	Y695-R724 VanDerWaalsContact CE2-NH1 3.28Å; R724-G726 PolarHBondContact O-N 2.84Å; R724-M727 WeakPolarHBondContact O-CB 3.04Å; R724-M727 PolarHBondContact O-N 3.22Å
725	K	70.1	Confident	86	Confident	210 Å²	210	71 Å²	71	91%	0.913	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	126.5	169.4	-71.7	-174.3	178	-179	0	109.2	G723	G723-K725 PolarHBondContact O-N 2.86Å
726	G	77.8	Confident	86.2	Confident	60 Å²	60	66.2 Å²	66.2	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-6.8	-174.5	0	0	0	0	0	115.5	M697 R724 V728	M697-G726 VanDerWaalsContact CE-O 3.24Å; M697-G726 WeakPolarHBondContact CE-O 3.21Å; R724-G726 PolarHBondContact O-N 2.84Å; G726-V728 PolarHBondContact O-N 3.41Å
727	M	88.5	Confident	86.4	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.039	34%	0.339	C	S	.	.			trans	-64.6	131	170.2	-175.6	61.7	71.9	0	0	110.7	Y695 M697 V702 P720 R724 A731 R732	Y695-M727 HydrophobicContact CD1-CE 4.05Å; Y695-M727 HydrophobicContact CE1-CE 3.77Å; M697-M727 HydrophobicContact SD-SD 4Å; V702-M727 HydrophobicContact CG1-SD 4.21Å; V702-M727 HydrophobicContact CG2-SD 4.34Å; P720-M727 HydrophobicContact CB-CE 4.07Å; R724-M727 WeakPolarHBondContact O-CB 3.04Å; R724-M727 PolarHBondContact O-N 3.22Å; M727-A731 HydrophobicContact SD-CB 4.07Å; M727-R732 HydrophobicContact CB-CB 4.26Å; M727-R732 HydrophobicContact CG-CB 3.81Å
728	V	90.4	Very high	86.5	Confident	40 Å²	40	64.3 Å²	64.3	24%	0.242	33%	0.333	C	S	.	.			trans	-63.7	140.7	179.5	65.9	0	0	0	0	111.7	V702 G726 W730 A731 R732	V702-V728 HydrophobicContact CG2-CG1 3.56Å; G726-V728 PolarHBondContact O-N 3.41Å; V728-W730 HydrophobicContact CG1-CZ2 4.47Å; V728-W730 PolarHBondContact O-N 2.02Å; V728-A731 HydrophobicContact CG1-CB 3.82Å; V728-A731 PolarHBondContact O-N 3.15Å; V728-A731 VanDerWaalsContact O-N 3.11Å; V728-R732 WeakPolarHBondContact O-CB 3.38Å; V728-R732 PolarHBondContact O-N 2.93Å
729	D	89.1	Confident	86.6	Confident	91 Å²	91	61.4 Å²	61.4	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-54.1	-45.6	-168.1	-71	-60.9	0	0	0	114.6	A731 R732 N733	D729-A731 VanDerWaalsContact C-N 3.28Å; D729-A731 PolarHBondContact O-N 3.45Å; D729-R732 PolarHBondContact O-N 3.06Å; D729-R732 IonicContact OD1-CZ 2.65Å; D729-R732 VanDerWaalsContact OD1-CZ 3.3Å; D729-R732 IonicContact OD1-NE 3.4Å; D729-R732 IonicContact OD1-NH2 3.38Å; D729-R732 PolarHBondContact OD1-NH2 3.08Å; D729-N733 VanDerWaalsContact O-CB 3.28Å; D729-N733 WeakPolarHBondContact O-CB 3.4Å; D729-N733 PolarHBondContact O-N 2.81Å; D729-N733 PolarHBondContact O-OD1 3.05Å
730	W	91.8	Very high	86.6	Confident	49 Å²	49	61.3 Å²	61.3	19%	0.186	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-31.9	-177.2	71.6	-100	0	0	0	112.7	T698 G699 V702 V728 S734 L764 K766 K784	T698-W730 PolarHBondContact O-NE1 3.11Å; G699-W730 PolarHBondContact O-NE1 2.82Å; V702-W730 HydrophobicContact CG2-CH2 4.21Å; V702-W730 HydrophobicContact CG2-CZ2 3.85Å; V728-W730 HydrophobicContact CG1-CZ2 4.47Å; V728-W730 PolarHBondContact O-N 2.02Å; W730-S734 PolarHBondContact O-N 2.99Å; W730-S734 PolarHBondContact O-OG 2.86Å; W730-L764 HydrophobicContact CH2-CD2 4.44Å; W730-L764 HydrophobicContact CH2-CG 4.27Å; W730-L764 HydrophobicContact CZ3-CD2 3.95Å; W730-L764 HydrophobicContact CZ3-CG 4.04Å; W730-K766 HydrophobicContact CD2-CB 4.18Å; W730-K766 HydrophobicContact CD2-CD 3.92Å; W730-K766 HydrophobicContact CD2-CG 4.15Å; W730-K766 HydrophobicContact CE3-CB 3.91Å; W730-K766 HydrophobicContact CE3-CD 4.29Å; W730-K766 HydrophobicContact CE3-CG 4Å; W730-K766 HydrophobicContact CG-CD 4.03Å; W730-K766 HydrophobicContact CH2-CB 3.82Å; W730-K766 HydrophobicContact CZ2-CB 4.08Å; W730-K766 HydrophobicContact CZ3-CB 3.73Å; W730-K766 HydrophobicContact CZ3-CG 4.32Å; W730-K784 HydrophobicContact CZ3-CD 4.38Å
731	A	91	Very high	86.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-87.2	-32.3	177.1	0	0	0	0	0	111.9	V702 M727 V728 D729 S734	V702-A731 HydrophobicContact CB-CB 4.48Å; V702-A731 HydrophobicContact CG2-CB 3.67Å; M727-A731 HydrophobicContact SD-CB 4.07Å; V728-A731 HydrophobicContact CG1-CB 3.82Å; V728-A731 PolarHBondContact O-N 3.15Å; V728-A731 VanDerWaalsContact O-N 3.11Å; D729-A731 VanDerWaalsContact C-N 3.28Å; D729-A731 PolarHBondContact O-N 3.45Å; A731-S734 PolarHBondContact O-N 2.92Å
732	R	89.5	Confident	87	Confident	114 Å²	114	62.3 Å²	62.3	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-39.9	175	-177.6	173.9	70	178.5	3.3	112.3	M727 V728 D729	M727-R732 HydrophobicContact CB-CB 4.26Å; M727-R732 HydrophobicContact CG-CB 3.81Å; V728-R732 WeakPolarHBondContact O-CB 3.38Å; V728-R732 PolarHBondContact O-N 2.93Å; D729-R732 PolarHBondContact O-N 3.06Å; D729-R732 IonicContact OD1-CZ 2.65Å; D729-R732 VanDerWaalsContact OD1-CZ 3.3Å; D729-R732 IonicContact OD1-NE 3.4Å; D729-R732 IonicContact OD1-NH2 3.38Å; D729-R732 PolarHBondContact OD1-NH2 3.08Å
733	N	87.8	Confident	87.3	Confident	117 Å²	117	59 Å²	59	63%	0.626	32%	0.316	S	S	*	.	S	Bend	trans	-90.8	-2.4	-177.6	-57.6	-2.9	0	0	0	112.2	D729	D729-N733 VanDerWaalsContact O-CB 3.28Å; D729-N733 WeakPolarHBondContact O-CB 3.4Å; D729-N733 PolarHBondContact O-N 2.81Å; D729-N733 PolarHBondContact O-OD1 3.05Å
734	S	86.1	Confident	88.1	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.063	29%	0.286	C	S	.	.			trans	-70	138.1	177.4	-117.4	0	0	0	0	111.2	K722 W730 A731 D736 K784	K722-S734 PolarHBondContact NZ-O 3.09Å; W730-S734 PolarHBondContact O-N 2.99Å; W730-S734 PolarHBondContact O-OG 2.86Å; A731-S734 PolarHBondContact O-N 2.92Å; S734-D736 VanDerWaalsContact C-N 3.32Å; S734-D736 WeakPolarHBondContact CB-OD2 3.43Å; S734-D736 PolarHBondContact OG-OD2 2.69Å; S734-K784 VanDerWaalsContact OG-CE 3.24Å; S734-K784 WeakPolarHBondContact OG-CE 3.47Å; S734-K784 PolarHBondContact OG-NZ 2.78Å; S734-K784 VanDerWaalsContact OG-NZ 3.16Å
735	E	89.1	Confident	88.6	Confident	146 Å²	146	51.8 Å²	51.8	68%	0.682	27%	0.268	S	S	*	.			trans	-72.5	-32.8	167.6	-68.1	179.4	174.6	0	0	110.6	K722 K737 A806	K722-E735 VanDerWaalsContact NZ-C 3.31Å; K722-E735 PolarHBondContact NZ-O 3.48Å; E735-K737 PolarHBondContact O-N 2.74Å; E735-A806 HydrophobicContact CB-CB 4.41Å
736	D	94.2	Very high	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.			trans	-44.9	129.7	178.9	-44.8	-86.1	0	0	0	113.4	S734 L764 K784 E804 L805 A806	S734-D736 VanDerWaalsContact C-N 3.32Å; S734-D736 WeakPolarHBondContact CB-OD2 3.43Å; S734-D736 PolarHBondContact OG-OD2 2.69Å; D736-L764 HydrophobicContact CB-CD1 4.27Å; D736-K784 IonicContact OD1-NZ 3.3Å; D736-K784 WeakPolarHBondContact OD2-CD 3.43Å; D736-K784 WeakPolarHBondContact OD2-CE 3.47Å; D736-K784 IonicContact OD2-NZ 3.7Å; D736-K784 PolarHBondContact OD2-NZ 3.32Å; D736-E804 CarbonylContact C-O 3.55Å; D736-E804 VanDerWaalsContact CA-O 3.3Å; D736-E804 WeakPolarHBondContact CA-O 3.44Å; D736-L805 HydrophobicContact CB-CD2 4.12Å; D736-L805 WeakPolarHBondContact OD1-CA 3.27Å; D736-A806 PolarHBondContact OD1-N 3.28Å
737	K	94.1	Very high	88.3	Confident	50 Å²	50	45.3 Å²	45.3	22%	0.217	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	159.7	173.3	69.1	163.8	-162.1	-92	0	112.5	F719 E735 V739 E804	F719-K737 CarbonylContact O-C 3.6Å; F719-K737 WeakPolarHBondContact O-CA 3.27Å; E735-K737 PolarHBondContact O-N 2.74Å; K737-V739 HydrophobicContact CD-CG2 4.42Å; K737-E804 HydrophobicContact CG-CB 4.04Å; K737-E804 HydrophobicContact CG-CG 4.48Å; K737-E804 PolarHBondContact N-O 3.44Å; K737-E804 IonicContact NZ-OE1 2.6Å; K737-E804 PolarHBondContact NZ-OE1 3.49Å; K737-E804 IonicContact NZ-OE2 2.68Å; K737-E804 PolarHBondContact NZ-OE2 3.32Å; K737-E804 PolarHBondContact O-N 3.32Å; K737-E804 VanDerWaalsContact O-O 3.13Å
738	V	95.7	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.9	162.1	62.6	0	0	0	0	110.4	F719 I740 I786 V788 L801 E802 I803	F719-V738 HydrophobicContact CB-CG1 4Å; F719-V738 HydrophobicContact CD1-CG1 4.08Å; F719-V738 PolarHBondContact N-O 3.05Å; F719-V738 PolarHBondContact O-N 3.39Å; V738-I740 HydrophobicContact CG1-CD1 4.36Å; V738-I740 HydrophobicContact CG1-CG1 4.29Å; V738-I740 HydrophobicContact CG2-CG1 3.99Å; V738-I786 HydrophobicContact CB-CD1 3.87Å; V738-I786 HydrophobicContact CG1-CD1 3.75Å; V738-I786 HydrophobicContact CG1-CG1 4.39Å; V738-V788 HydrophobicContact CG1-CG2 4.02Å; V738-V788 HydrophobicContact CG2-CG2 4.1Å; V738-L801 HydrophobicContact CG2-CB 4.33Å; V738-L801 HydrophobicContact CG2-CD2 4.09Å; V738-E802 CarbonylContact C-O 3.3Å; V738-E802 VanDerWaalsContact CA-O 3.31Å; V738-E802 WeakPolarHBondContact CA-O 3.34Å; V738-I803 HydrophobicContact CB-CG1 4.22Å; V738-I803 HydrophobicContact CG2-CG1 3.71Å
739	V	95.3	Very high	85.2	Confident	23 Å²	23	50.6 Å²	50.6	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.7	167.9	-165.4	0	0	0	0	107.8	D716 K737 E802	D716-V739 HydrophobicContact CB-CG1 3.99Å; K737-V739 HydrophobicContact CD-CG2 4.42Å; V739-E802 HydrophobicContact CB-CB 4.13Å; V739-E802 HydrophobicContact CG2-CB 4.31Å; V739-E802 WeakPolarHBondContact CG2-OE2 2.94Å; V739-E802 PolarHBondContact N-O 3.01Å; V739-E802 PolarHBondContact O-N 2.03Å
740	I	93.4	Very high	83.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.1	-176.7	-57.1	170.7	0	0	0	107.5	D716 I717 V738 L744 F745 L760 T762 V788 L801	D716-I740 WeakPolarHBondContact CA-O 3.44Å; I717-I740 HydrophobicContact CB-CB 4.28Å; I717-I740 PolarHBondContact N-O 3.33Å; I717-I740 PolarHBondContact O-N 3.02Å; V738-I740 HydrophobicContact CG1-CD1 4.36Å; V738-I740 HydrophobicContact CG1-CG1 4.29Å; V738-I740 HydrophobicContact CG2-CG1 3.99Å; I740-L744 HydrophobicContact CG2-CD1 3.89Å; I740-F745 HydrophobicContact CG2-CE2 3.94Å; I740-F745 HydrophobicContact CG2-CZ 4.05Å; I740-L760 HydrophobicContact CD1-CD1 3.89Å; I740-L760 HydrophobicContact CD1-CD2 4.11Å; I740-T762 HydrophobicContact CD1-CG2 3.51Å; I740-V788 HydrophobicContact CD1-CG1 3.66Å; I740-V788 HydrophobicContact CD1-CG2 4.2Å; I740-V788 HydrophobicContact CG1-CG1 4.25Å; I740-L801 HydrophobicContact CG1-CD2 4.25Å
741	P	91.9	Very high	81.2	Confident	21 Å²	21	55.1 Å²	55.1	14%	0.136	31%	0.307	C	S	.	.			trans	-69	138	-173.1	27.7	-35.4	0	0	0	111.5	D716 G743 L744 H800	D716-P741 VanDerWaalsContact OD1-CA 3.32Å; D716-P741 WeakPolarHBondContact OD1-CA 3.1Å; P741-G743 PolarHBondContact O-N 3.39Å; P741-G743 VanDerWaalsContact O-N 3.11Å; P741-L744 HydrophobicContact CG-CD1 3.96Å; P741-L744 HydrophobicContact CG-CG 4.13Å; P741-L744 PolarHBondContact O-N 3.05Å; P741-H800 WeakPolarHBondContact CG-O 3.03Å
742	K	88.3	Confident	79.2	Confident	95 Å²	95	62.1 Å²	62.1	41%	0.413	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.1	-179.3	66	-168.2	176.8	-172.7	0	114.4	V713 M714 D716 L744 F745	V713-K742 HydrophobicContact CB-CB 4.45Å; V713-K742 HydrophobicContact CG1-CB 3.78Å; V713-K742 WeakPolarHBondContact O-CB 3.38Å; M714-K742 WeakPolarHBondContact O-CD 3.43Å; M714-K742 PolarHBondContact O-NZ 3.03Å; D716-K742 WeakPolarHBondContact OD1-CG 3.38Å; D716-K742 PolarHBondContact OD1-N 3.45Å; K742-L744 PolarHBondContact O-N 3.08Å; K742-L744 VanDerWaalsContact O-N 3.15Å; K742-F745 PolarHBondContact O-N 2.97Å; K742-F745 VanDerWaalsContact O-N 3.15Å
743	G	85.3	Confident	77.1	Confident	32 Å²	32	65.9 Å²	65.9	33%	0.33	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.4	178	0	0	0	0	0	114.9	P741 F745	P741-G743 PolarHBondContact O-N 3.39Å; P741-G743 VanDerWaalsContact O-N 3.11Å; G743-F745 VanDerWaalsContact C-N 3.34Å
744	L	86.1	Confident	75.5	Confident	16 Å²	16	62.5 Å²	62.5	8%	0.084	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-70.5	-27.1	175.2	-64.9	169.7	0	0	0	113.1	I740 P741 K742 V746 I790 P794 L801	I740-L744 HydrophobicContact CG2-CD1 3.89Å; P741-L744 HydrophobicContact CG-CD1 3.96Å; P741-L744 HydrophobicContact CG-CG 4.13Å; P741-L744 PolarHBondContact O-N 3.05Å; K742-L744 PolarHBondContact O-N 3.08Å; K742-L744 VanDerWaalsContact O-N 3.15Å; L744-V746 PolarHBondContact O-N 3.09Å; L744-I790 HydrophobicContact CD1-CD1 4.21Å; L744-P794 HydrophobicContact CB-CB 4.17Å; L744-P794 HydrophobicContact CD2-CB 4.26Å; L744-P794 HydrophobicContact CD2-CG 4.22Å; L744-P794 VanDerWaalsContact O-CB 3.26Å; L744-P794 WeakPolarHBondContact O-CB 3.21Å; L744-L801 HydrophobicContact CD1-CD1 4.33Å
745	F	84.8	Confident	74.2	Confident	5 Å²	5	66 Å²	66	2%	0.022	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-95.2	31.7	-167.5	-59.2	-76.4	0	0	0	114.2	L708 A710 V713 I717 I740 K742 G743 F758 L760 I790	L708-F745 HydrophobicContact CD1-CD1 4.36Å; L708-F745 HydrophobicContact CD1-CE1 3.94Å; L708-F745 HydrophobicContact CD1-CZ 4.1Å; A710-F745 CarbonylContact C-O 3.6Å; A710-F745 WeakPolarHBondContact CA-O 3.3Å; V713-F745 HydrophobicContact CB-CB 4.25Å; V713-F745 HydrophobicContact CB-CD2 4.11Å; V713-F745 HydrophobicContact CB-CG 4.4Å; V713-F745 HydrophobicContact CG1-CD2 3.9Å; V713-F745 HydrophobicContact CG1-CE2 4.39Å; V713-F745 HydrophobicContact CG2-CB 3.9Å; V713-F745 HydrophobicContact CG2-CD2 3.91Å; V713-F745 HydrophobicContact CG2-CG 3.87Å; I717-F745 HydrophobicContact CD1-CE2 3.98Å; I717-F745 HydrophobicContact CD1-CZ 4.25Å; I740-F745 HydrophobicContact CG2-CE2 3.94Å; I740-F745 HydrophobicContact CG2-CZ 4.05Å; K742-F745 PolarHBondContact O-N 2.97Å; K742-F745 VanDerWaalsContact O-N 3.15Å; G743-F745 VanDerWaalsContact C-N 3.34Å; F745-F758 HydrophobicContact CB-CD2 4.16Å; F745-F758 HydrophobicContact CB-CE2 4.21Å; F745-F758 HydrophobicContact CD1-CB 3.94Å; F745-F758 AromaticContact CD1-CD2 3.86Å; F745-F758 HydrophobicContact CD1-CD2 3.86Å; F745-F758 AromaticContact CD1-CG 3.91Å; F745-F758 HydrophobicContact CD1-CG 3.91Å; F745-F758 HydrophobicContact CE1-CB 4.27Å; F745-F758 WeakPolarHBondContact O-CE2 3.45Å; F745-L760 HydrophobicContact CE1-CB 4.41Å; F745-L760 HydrophobicContact CZ-CB 4.5Å; F745-L760 HydrophobicContact CZ-CD1 4.4Å; F745-L760 HydrophobicContact CZ-CD2 4.1Å; F745-I790 HydrophobicContact CE1-CD1 4.06Å; F745-I790 HydrophobicContact CE1-CG2 4.18Å; F745-I790 HydrophobicContact CZ-CD1 3.96Å
746	V	77.1	Confident	73.6	Confident	89 Å²	89	61.2 Å²	61.2	54%	0.539	37%	0.369	S	S	.	.			trans	-92.7	134.4	-174.8	-177.5	0	0	0	0	111.9	L744	L744-V746 PolarHBondContact O-N 3.09Å
747	S	65.6	Low	73.3	Confident	46 Å²	46	63.1 Å²	63.1	32%	0.322	38%	0.381	S	S	.	.			trans	-62.4	149.3	175.5	-171	0	0	0	0	112.8	A710 P756	A710-S747 PolarHBondContact O-N 2.72Å; S747-P756 WeakPolarHBondContact OG-CD 3.38Å; S747-P756 WeakPolarHBondContact OG-CG 3.49Å
748	Q	62.5	Low	73.2	Confident	85 Å²	85	61 Å²	61	40%	0.397	37%	0.371	S	S	.	.			trans	-122.2	-5.5	-165.8	-58.2	-171.3	25.9	0	0	116.2	K795	Q748-K795 HydrophobicContact CG-CD 4.44Å; Q748-K795 VanDerWaalsContact OE1-CD 3.28Å; Q748-K795 VanDerWaalsContact OE1-CE 3.29Å
749	S	52	Low	73.1	Confident	73 Å²	73	61.5 Å²	61.5	51%	0.51	37%	0.374	S	S	.	.			trans	-154.5	152.2	-178.8	53.9	0	0	0	0	111.7
750	A	49.2	Very low	73.1	Confident	93 Å²	93	60.4 Å²	60.4	77%	0.769	37%	0.368	S	S	*	.	S	Bend	trans	-90.3	-18.8	170.6	0	0	0	0	0	112.6	M752	A750-M752 VanDerWaalsContact C-N 3.29Å; A750-M752 PolarHBondContact O-N 2.75Å; A750-M752 VanDerWaalsContact O-N 3.14Å
751	D	46.9	Very low	73.2	Confident	143 Å²	143	60.4 Å²	60.4	77%	0.765	37%	0.368	S	S	*	.	S	Bend	trans	-88.9	36.7	-167.4	-49.1	-67.7	0	0	0	114.5
752	M	47.7	Very low	73.5	Confident	147 Å²	147	59.4 Å²	59.4	72%	0.724	36%	0.361	S	S	*	.	S	Bend	trans	-140.4	125.9	173.4	-71	-70.7	160.4	0	0	109.7	A750 G754	A750-M752 VanDerWaalsContact C-N 3.29Å; A750-M752 PolarHBondContact O-N 2.75Å; A750-M752 VanDerWaalsContact O-N 3.14Å; M752-G754 PolarHBondContact O-N 3.31Å
753	D	47.4	Very low	73.9	Confident	193 Å²	193	55 Å²	55	100%	1.032	34%	0.342	S	S	*	.	S	Bend	trans	-70.3	31.7	-176.5	-86.5	-40.5	0	0	0	114.9
754	G	53.4	Low	74.4	Confident	47 Å²	47	53.5 Å²	53.5	49%	0.485	33%	0.326	S	S	.	.	S	Bend	trans	-161.5	135	176.2	0	0	0	0	0	111.7	M752	M752-G754 PolarHBondContact O-N 3.31Å
755	S	59.3	Low	74.9	Confident	83 Å²	83	52.8 Å²	52.8	58%	0.58	32%	0.323	S	S	*	.			trans	-57.4	124.3	171.8	54.4	0	0	0	0	109.7	V757	S755-V757 PolarHBondContact O-N 2.94Å
756	P	75.3	Confident	75.4	Confident	44 Å²	44	56 Å²	56	29%	0.286	34%	0.336	S	S	.	.			trans	-60.2	141.9	-178.1	12.4	-19.1	0	0	0	111	A710 S747	A710-P756 HydrophobicContact CB-CB 4.13Å; A710-P756 HydrophobicContact CB-CG 3.66Å; A710-P756 WeakPolarHBondContact CB-O 3.29Å; A710-P756 PolarHBondContact N-O 2.99Å; S747-P756 WeakPolarHBondContact OG-CD 3.38Å; S747-P756 WeakPolarHBondContact OG-CG 3.49Å
757	V	88	Confident	76.2	Confident	41 Å²	41	52 Å²	52	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123	179.1	-179.3	0	0	0	0	108.3	R707 S755	R707-V757 HydrophobicContact CG-CG1 3.42Å; R707-V757 VanDerWaalsContact CG-CG1 3.42Å; S755-V757 PolarHBondContact O-N 2.94Å
758	F	91.3	Very high	77.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.5	174	-64.1	-80.2	0	0	0	110.6	L708 A710 F745 I790 R791 P792	L708-F758 PolarHBondContact N-O 2.91Å; L708-F758 PolarHBondContact O-N 3.1Å; A710-F758 HydrophobicContact CB-CD2 4.01Å; A710-F758 HydrophobicContact CB-CE2 3.49Å; A710-F758 VanDerWaalsContact CB-CE2 3.49Å; A710-F758 HydrophobicContact CB-CZ 4.49Å; F745-F758 HydrophobicContact CB-CD2 4.16Å; F745-F758 HydrophobicContact CB-CE2 4.21Å; F745-F758 HydrophobicContact CD1-CB 3.94Å; F745-F758 AromaticContact CD1-CD2 3.86Å; F745-F758 HydrophobicContact CD1-CD2 3.86Å; F745-F758 AromaticContact CD1-CG 3.91Å; F745-F758 HydrophobicContact CD1-CG 3.91Å; F745-F758 HydrophobicContact CE1-CB 4.27Å; F745-F758 WeakPolarHBondContact O-CE2 3.45Å; F758-I790 HydrophobicContact CB-CG2 4.44Å; F758-I790 HydrophobicContact CD1-CG2 3.94Å; F758-R791 CarbonylContact C-O 3.5Å; F758-R791 WeakPolarHBondContact CA-O 3.44Å; F758-P792 HydrophobicContact CD1-CG 4.08Å; F758-P792 WeakPolarHBondContact CD1-O 3.35Å; F758-P792 HydrophobicContact CE1-CG 4.03Å; F758-P792 WeakPolarHBondContact CE1-O 3.35Å
759	I	94.4	Very high	78.8	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.6	164.1	-62.1	164.7	0	0	0	106.8	H682 G685 L686 I705 Q706 I790 R791	H682-I759 WeakPolarHBondContact ND1-CG2 3.24Å; G685-I759 VanDerWaalsContact C-CD1 3.47Å; L686-I759 HydrophobicContact CB-CD1 4.42Å; L686-I759 HydrophobicContact CD2-CD1 3.85Å; L686-I759 HydrophobicContact CG-CD1 3.7Å; I705-I759 HydrophobicContact CG2-CG2 4.37Å; Q706-I759 WeakPolarHBondContact O-CA 3.38Å; I759-I790 WeakPolarHBondContact O-CA 3.05Å; I759-R791 PolarHBondContact N-O 2.91Å; I759-R791 PolarHBondContact O-N 2.84Å; I759-R791 VanDerWaalsContact O-N 3.08Å
760	L	95.3	Very high	80.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.4	172.6	170.6	63.3	0	0	0	109.1	I705 Q706 L708 I717 I740 F745 T762 V788 I790	I705-L760 WeakPolarHBondContact CA-O 3.46Å; Q706-L760 HydrophobicContact CB-CB 4.31Å; Q706-L760 PolarHBondContact N-O 3.17Å; Q706-L760 PolarHBondContact O-N 2.93Å; L708-L760 HydrophobicContact CD1-CB 3.89Å; L708-L760 HydrophobicContact CD1-CD2 3.98Å; I717-L760 HydrophobicContact CD1-CD2 3.79Å; I717-L760 HydrophobicContact CG2-CD2 4.09Å; I740-L760 HydrophobicContact CD1-CD1 3.89Å; I740-L760 HydrophobicContact CD1-CD2 4.11Å; F745-L760 HydrophobicContact CE1-CB 4.41Å; F745-L760 HydrophobicContact CZ-CB 4.5Å; F745-L760 HydrophobicContact CZ-CD1 4.4Å; F745-L760 HydrophobicContact CZ-CD2 4.1Å; L760-T762 HydrophobicContact CD1-CG2 3.91Å; L760-T762 HydrophobicContact CD2-CG2 4.44Å; L760-T762 HydrophobicContact CG-CG2 4.13Å; L760-V788 HydrophobicContact CD1-CG1 3.86Å; L760-I790 HydrophobicContact CD1-CD1 4.14Å; L760-I790 HydrophobicContact CD1-CG1 3.7Å
761	G	96.7	Very high	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.3	164.7	0	0	0	0	0	111.2	V788 T789	G761-V788 WeakPolarHBondContact O-CA 3.23Å; G761-T789 PolarHBondContact N-O 3.02Å; G761-T789 PolarHBondContact O-N 2.96Å
762	T	96.4	Very high	84.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.4	176.7	41.2	0	0	0	0	108.9	A703 S704 F719 I740 L760 A787 V788	A703-T762 CarbonylContact C-O 3.57Å; A703-T762 WeakPolarHBondContact CA-O 3.03Å; S704-T762 WeakPolarHBondContact CB-OG1 3.37Å; S704-T762 PolarHBondContact N-O 2.8Å; S704-T762 PolarHBondContact O-N 3.42Å; S704-T762 PolarHBondContact O-OG1 2.86Å; S704-T762 PolarHBondContact OG-OG1 3.19Å; F719-T762 HydrophobicContact CB-CG2 4.39Å; F719-T762 HydrophobicContact CD1-CG2 4.44Å; F719-T762 HydrophobicContact CG-CG2 4.31Å; I740-T762 HydrophobicContact CD1-CG2 3.51Å; L760-T762 HydrophobicContact CD1-CG2 3.91Å; L760-T762 HydrophobicContact CD2-CG2 4.44Å; L760-T762 HydrophobicContact CG-CG2 4.13Å; T762-A787 CarbonylContact C-O 3.56Å; T762-A787 WeakPolarHBondContact CA-O 3.39Å; T762-V788 HydrophobicContact CG2-CG1 4.28Å; T762-V788 HydrophobicContact CG2-CG2 4.35Å
763	V	97.1	Very high	86.3	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.7	-178.5	-165.9	0	0	0	0	110.4	I677 I681 L701 V702 A703 Y765 I786 A787	I677-V763 HydrophobicContact CG2-CG2 4.35Å; I681-V763 HydrophobicContact CD1-CG2 3.43Å; I681-V763 VanDerWaalsContact CD1-CG2 3.43Å; L701-V763 HydrophobicContact CB-CG1 4.48Å; L701-V763 HydrophobicContact CD1-CG1 4.18Å; V702-V763 CarbonylContact O-C 3.52Å; V702-V763 WeakPolarHBondContact O-CA 3.23Å; A703-V763 HydrophobicContact CB-CG1 4.29Å; A703-V763 HydrophobicContact CB-CG2 4.04Å; V763-Y765 HydrophobicContact CB-CE2 3.92Å; V763-Y765 HydrophobicContact CG1-CD1 4.14Å; V763-Y765 HydrophobicContact CG1-CD2 4.07Å; V763-Y765 HydrophobicContact CG1-CE1 3.73Å; V763-Y765 HydrophobicContact CG1-CE2 3.67Å; V763-Y765 HydrophobicContact CG1-CG 4.3Å; V763-Y765 VanDerWaalsContact CG1-CZ 3.49Å; V763-I786 CarbonylContact O-C 3.58Å; V763-I786 WeakPolarHBondContact O-CA 3Å; V763-A787 HydrophobicContact CB-CB 4.43Å; V763-A787 PolarHBondContact N-O 3.41Å; V763-A787 PolarHBondContact O-N 2.79Å
764	L	96.4	Very high	87.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.6	168.3	177	65	0	0	0	108	L701 V702 F719 P720 W730 D736 K784 I786	L701-L764 VanDerWaalsContact CA-O 3.32Å; L701-L764 WeakPolarHBondContact CA-O 3.43Å; V702-L764 PolarHBondContact N-O 2.7Å; V702-L764 PolarHBondContact O-N 3.19Å; F719-L764 HydrophobicContact CE1-CB 3.85Å; F719-L764 HydrophobicContact CZ-CB 4.18Å; P720-L764 HydrophobicContact CG-CD2 4.25Å; W730-L764 HydrophobicContact CH2-CD2 4.44Å; W730-L764 HydrophobicContact CH2-CG 4.27Å; W730-L764 HydrophobicContact CZ3-CD2 3.95Å; W730-L764 HydrophobicContact CZ3-CG 4.04Å; D736-L764 HydrophobicContact CB-CD1 4.27Å; L764-K784 HydrophobicContact CD1-CB 4.01Å; L764-K784 HydrophobicContact CD1-CD 4.23Å; L764-I786 HydrophobicContact CD1-CB 4.33Å; L764-I786 HydrophobicContact CD1-CD1 4.38Å; L764-I786 HydrophobicContact CD1-CG1 4.44Å
765	Y	96.4	Very high	88.4	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.9	177.3	-57.5	-87.1	0	0	0	110.4	L652 I677 L701 V763 L768 K784 V785 A787	L652-Y765 HydrophobicContact CD1-CD1 3.84Å; L652-Y765 HydrophobicContact CD1-CE1 4.27Å; I677-Y765 HydrophobicContact CD1-CE1 3.9Å; I677-Y765 WeakPolarHBondContact CD1-OH 3.1Å; I677-Y765 WeakPolarHBondContact CG2-OH 3.47Å; L701-Y765 HydrophobicContact CB-CD1 3.92Å; L701-Y765 HydrophobicContact CB-CE1 4.42Å; V763-Y765 HydrophobicContact CB-CE2 3.92Å; V763-Y765 HydrophobicContact CG1-CD1 4.14Å; V763-Y765 HydrophobicContact CG1-CD2 4.07Å; V763-Y765 HydrophobicContact CG1-CE1 3.73Å; V763-Y765 HydrophobicContact CG1-CE2 3.67Å; V763-Y765 HydrophobicContact CG1-CG 4.3Å; V763-Y765 VanDerWaalsContact CG1-CZ 3.49Å; Y765-L768 HydrophobicContact CD1-CB 4.24Å; Y765-L768 HydrophobicContact CD1-CD2 3.81Å; Y765-L768 HydrophobicContact CD2-CD2 3.62Å; Y765-L768 HydrophobicContact CE1-CD2 4.01Å; Y765-L768 HydrophobicContact CE2-CD2 3.82Å; Y765-L768 HydrophobicContact CG-CB 3.94Å; Y765-L768 HydrophobicContact CG-CD2 3.6Å; Y765-L768 HydrophobicContact CG-CG 4.45Å; Y765-K784 WeakPolarHBondContact O-CB 3.06Å; Y765-V785 HydrophobicContact CD2-CB 4.16Å; Y765-V785 HydrophobicContact CD2-CG1 4.08Å; Y765-V785 PolarHBondContact N-O 3.08Å; Y765-V785 PolarHBondContact O-N 3.17Å; Y765-A787 HydrophobicContact CE2-CB 4.22Å
766	K	94.6	Very high	89.2	Confident	71 Å²	71	29.7 Å²	29.7	31%	0.309	17%	0.167	S	C	.	.	S	Bend	trans	-73.2	-44	179.9	-176.1	-175.1	146	-141.8	0	112.6	G699 N700 W730	G699-K766 VanDerWaalsContact O-CD 3.28Å; G699-K766 WeakPolarHBondContact O-CD 3.33Å; G699-K766 PolarHBondContact O-NZ 2.9Å; N700-K766 VanDerWaalsContact O-CB 3.32Å; N700-K766 WeakPolarHBondContact O-CB 3.43Å; N700-K766 PolarHBondContact O-N 2.97Å; N700-K766 PolarHBondContact OD1-NZ 3.1Å; W730-K766 HydrophobicContact CD2-CB 4.18Å; W730-K766 HydrophobicContact CD2-CD 3.92Å; W730-K766 HydrophobicContact CD2-CG 4.15Å; W730-K766 HydrophobicContact CE3-CB 3.91Å; W730-K766 HydrophobicContact CE3-CD 4.29Å; W730-K766 HydrophobicContact CE3-CG 4Å; W730-K766 HydrophobicContact CG-CD 4.03Å; W730-K766 HydrophobicContact CH2-CB 3.82Å; W730-K766 HydrophobicContact CZ2-CB 4.08Å; W730-K766 HydrophobicContact CZ3-CB 3.73Å; W730-K766 HydrophobicContact CZ3-CG 4.32Å
767	T	93.8	Very high	89.1	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.037	19%	0.194	C	C	.	.	S	Bend	trans	-120.9	-16.1	-164.3	44.6	0	0	0	0	114.3	L652 G769 L770	L652-T767 WeakPolarHBondContact O-CB 3.45Å; L652-T767 PolarHBondContact O-OG1 2.85Å; T767-G769 PolarHBondContact O-N 2.82Å; T767-L770 WeakPolarHBondContact O-CB 3.35Å; T767-L770 PolarHBondContact O-N 2.7Å
768	L	93.7	Very high	88.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.1	-31.1	-173.7	180	62.9	0	0	0	113.8	L652 A670 M674 Y765 L770 M771 L772 V785	L652-L768 HydrophobicContact CD1-CB 4.49Å; L652-L768 HydrophobicContact CD2-CD1 3.81Å; A670-L768 HydrophobicContact CB-CD1 4.49Å; M674-L768 HydrophobicContact CG-CD2 3.77Å; M674-L768 HydrophobicContact SD-CD2 3.8Å; Y765-L768 HydrophobicContact CD1-CB 4.24Å; Y765-L768 HydrophobicContact CD1-CD2 3.81Å; Y765-L768 HydrophobicContact CD2-CD2 3.62Å; Y765-L768 HydrophobicContact CE1-CD2 4.01Å; Y765-L768 HydrophobicContact CE2-CD2 3.82Å; Y765-L768 HydrophobicContact CG-CB 3.94Å; Y765-L768 HydrophobicContact CG-CD2 3.6Å; Y765-L768 HydrophobicContact CG-CG 4.45Å; L768-L770 PolarHBondContact O-N 3.48Å; L768-M771 WeakPolarHBondContact O-CA 3.34Å; L768-M771 PolarHBondContact O-N 2.92Å; L768-L772 HydrophobicContact CD1-CD2 4.37Å; L768-L772 HydrophobicContact CG-CD2 4.42Å; L768-L772 HydrophobicContact CG-CG 4.23Å; L768-L772 PolarHBondContact O-N 2.89Å; L768-L772 VanDerWaalsContact O-N 3.1Å; L768-V785 HydrophobicContact CB-CG2 4.46Å; L768-V785 HydrophobicContact CD2-CB 4.44Å; L768-V785 HydrophobicContact CD2-CG1 4.28Å
769	G	89.5	Confident	88.6	Confident	9 Å²	9	44.1 Å²	44.1	9%	0.093	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.9	176.4	0	0	0	0	0	114.3	T767 M771	T767-G769 PolarHBondContact O-N 2.82Å; G769-M771 VanDerWaalsContact C-N 3.25Å; G769-M771 PolarHBondContact O-N 2.97Å
770	L	89.9	Confident	88.2	Confident	63 Å²	63	47.5 Å²	47.5	33%	0.33	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-75.2	-14.9	173.7	-54.6	176.5	0	0	0	113	E654 T767 L768	E654-L770 HydrophobicContact CG-CD1 4.1Å; T767-L770 WeakPolarHBondContact O-CB 3.35Å; T767-L770 PolarHBondContact O-N 2.7Å; L768-L770 PolarHBondContact O-N 3.48Å
771	M	91.6	Very high	88	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.02	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-14.2	-171.7	-58.4	173.3	-179.7	0	0	112.6	L652 E653 W660 Q664 L768 G769	L652-M771 HydrophobicContact CB-SD 4.47Å; L652-M771 HydrophobicContact CD2-SD 3.6Å; E653-M771 WeakPolarHBondContact O-CE 3.3Å; W660-M771 HydrophobicContact CB-CB 4.34Å; W660-M771 HydrophobicContact CB-CG 4.27Å; W660-M771 HydrophobicContact CD2-SD 4.49Å; W660-M771 HydrophobicContact CG-CB 4.31Å; W660-M771 HydrophobicContact CG-CG 4.11Å; W660-M771 HydrophobicContact CG-SD 4.05Å; W660-M771 PolarHBondContact NE1-SD 2.03Å; Q664-M771 PolarHBondContact NE2-O 3.26Å; Q664-M771 PolarHBondContact OE1-O 3.04Å; L768-M771 WeakPolarHBondContact O-CA 3.34Å; L768-M771 PolarHBondContact O-N 2.92Å; G769-M771 VanDerWaalsContact C-N 3.25Å; G769-M771 PolarHBondContact O-N 2.97Å
772	L	89.1	Confident	87.7	Confident	24 Å²	24	51.2 Å²	51.2	13%	0.126	29%	0.292	C	S	.	.	S	Bend	trans	-71.4	143.1	173.8	-69.3	176.1	0	0	0	110.8	A670 V671 M674 L768 V785	A670-L772 HydrophobicContact CB-CD2 4.39Å; V671-L772 HydrophobicContact CG2-CD2 4.34Å; M674-L772 HydrophobicContact CE-CD2 3.73Å; M674-L772 HydrophobicContact SD-CD2 4.14Å; L768-L772 HydrophobicContact CD1-CD2 4.37Å; L768-L772 HydrophobicContact CG-CD2 4.42Å; L768-L772 HydrophobicContact CG-CG 4.23Å; L768-L772 PolarHBondContact O-N 2.89Å; L768-L772 VanDerWaalsContact O-N 3.1Å; L772-V785 HydrophobicContact CD1-CG2 3.86Å
773	P	83	Confident	87.5	Confident	49 Å²	49	52.4 Å²	52.4	32%	0.318	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-64.1	141.5	177.2	28.1	-35.1	0	0	0	110.8	V671 W820	V671-P773 HydrophobicContact CG2-CG 4.38Å; P773-W820 HydrophobicContact CG-CH2 3.98Å
774	S	74.9	Confident	87.4	Confident	74 Å²	74	53.8 Å²	53.8	52%	0.517	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-61.1	126.8	176	173.4	0	0	0	0	110.4	K776 T779	S774-K776 VanDerWaalsContact C-N 3.3Å; S774-K776 PolarHBondContact O-N 2.9Å; S774-K776 PolarHBondContact OG-O 3.36Å; S774-T779 PolarHBondContact OG-O 2.85Å
775	P	69	Low	87.3	Confident	79 Å²	79	54.9 Å²	54.9	51%	0.513	31%	0.313	S	S	.	.	S	Bend	trans	-74	-21.8	-176.7	29.2	-35.4	0	0	0	113	T779	P775-T779 HydrophobicContact CG-CG2 4.11Å
776	K	76.5	Confident	87.3	Confident	137 Å²	137	56 Å²	56	60%	0.596	32%	0.319	S	S	*	.	S	Bend	trans	-156.1	145.4	-177.6	-64.1	-177.8	-177.2	169.1	0	110.2	S774 L778 T779	S774-K776 VanDerWaalsContact C-N 3.3Å; S774-K776 PolarHBondContact O-N 2.9Å; S774-K776 PolarHBondContact OG-O 3.36Å; K776-L778 PolarHBondContact O-N 3.39Å; K776-T779 VanDerWaalsContact O-CB 3.23Å; K776-T779 WeakPolarHBondContact O-CB 3.42Å; K776-T779 PolarHBondContact O-N 2.03Å; K776-T779 PolarHBondContact O-OG1 2.98Å
777	N	74.2	Confident	87.4	Confident	160 Å²	160	53.6 Å²	53.6	86%	0.856	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	135.7	171.1	-72	-17.1	0	0	0	111.5	T779	N777-T779 PolarHBondContact O-N 3.38Å
778	L	81.1	Confident	87.4	Confident	189 Å²	189	55.2 Å²	55.2	99%	0.99	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	16.4	-176	-51.9	174.7	0	0	0	115.5	K776	K776-L778 PolarHBondContact O-N 3.39Å
779	T	86.8	Confident	87.5	Confident	44 Å²	44	55.8 Å²	55.8	27%	0.27	33%	0.325	S	S	.	.			trans	-113.9	140.4	174	-51.6	0	0	0	0	110.6	S774 P775 K776 N777 Y816	S774-T779 PolarHBondContact OG-O 2.85Å; P775-T779 HydrophobicContact CG-CG2 4.11Å; K776-T779 VanDerWaalsContact O-CB 3.23Å; K776-T779 WeakPolarHBondContact O-CB 3.42Å; K776-T779 PolarHBondContact O-N 2.03Å; K776-T779 PolarHBondContact O-OG1 2.98Å; N777-T779 PolarHBondContact O-N 3.38Å; T779-Y816 HydrophobicContact CG2-CE1 4.36Å
780	A	86.2	Confident	87.6	Confident	83 Å²	83	56.2 Å²	56.2	69%	0.686	33%	0.326	S	S	*	.			trans	-137.9	155.3	177.8	0	0	0	0	0	110.8	N782	A780-N782 PolarHBondContact O-N 2.84Å; A780-N782 VanDerWaalsContact O-N 3.15Å
781	V	90.3	Very high	87.7	Confident	48 Å²	48	57.7 Å²	57.7	29%	0.291	33%	0.327	S	S	.	.			trans	-76.4	99.1	175.8	-178	0	0	0	0	108.7	S783 V785	V781-S783 VanDerWaalsContact C-N 3.25Å; V781-S783 PolarHBondContact O-N 2.87Å; V781-V785 HydrophobicContact CG1-CG2 4.39Å
782	N	91.2	Very high	87.5	Confident	29 Å²	29	61 Å²	61	16%	0.155	35%	0.349	C	S	.	.			trans	-88.1	27.8	-176.4	-164.1	23.5	0	0	0	113.8	A780 H807 L808 A809 T812	A780-N782 PolarHBondContact O-N 2.84Å; A780-N782 VanDerWaalsContact O-N 3.15Å; N782-H807 CarbonylContact O-C 3.57Å; N782-H807 VanDerWaalsContact O-CA 3.27Å; N782-H807 WeakPolarHBondContact O-CA 3.01Å; N782-L808 PolarHBondContact O-N 2.03Å; N782-L808 PolarHBondContact OD1-N 3.08Å; N782-A809 PolarHBondContact ND2-O 3.2Å; N782-A809 WeakPolarHBondContact OD1-CB 3.01Å; N782-A809 PolarHBondContact OD1-N 3.47Å; N782-A809 PolarHBondContact OD1-O 2.91Å; N782-T812 HydrophobicContact CB-CG2 4.32Å; N782-T812 VanDerWaalsContact ND2-CG2 3.3Å; N782-T812 WeakPolarHBondContact ND2-CG2 3.36Å; N782-T812 PolarHBondContact ND2-OG1 2.84Å
783	S	93	Very high	87.3	Confident	25 Å²	25	67.8 Å²	67.8	18%	0.175	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-147.3	168.4	-175.4	67.4	0	0	0	0	111.6	V781 L808	V781-S783 VanDerWaalsContact C-N 3.25Å; V781-S783 PolarHBondContact O-N 2.87Å; S783-L808 WeakPolarHBondContact O-CD1 3.34Å
784	K	94.2	Very high	87.2	Confident	31 Å²	31	67.2 Å²	67.2	14%	0.135	38%	0.376	C	S	.	.			trans	-63.4	158.7	157.4	-67.4	-174	-159.5	66.6	0	109.8	W730 S734 D736 L764 Y765 L808	W730-K784 HydrophobicContact CZ3-CD 4.38Å; S734-K784 VanDerWaalsContact OG-CE 3.24Å; S734-K784 WeakPolarHBondContact OG-CE 3.47Å; S734-K784 PolarHBondContact OG-NZ 2.78Å; S734-K784 VanDerWaalsContact OG-NZ 3.16Å; D736-K784 IonicContact OD1-NZ 3.3Å; D736-K784 WeakPolarHBondContact OD2-CD 3.43Å; D736-K784 WeakPolarHBondContact OD2-CE 3.47Å; D736-K784 IonicContact OD2-NZ 3.7Å; D736-K784 PolarHBondContact OD2-NZ 3.32Å; L764-K784 HydrophobicContact CD1-CB 4.01Å; L764-K784 HydrophobicContact CD1-CD 4.23Å; Y765-K784 WeakPolarHBondContact O-CB 3.06Å; K784-L808 HydrophobicContact CG-CD2 4.48Å
785	V	95.1	Very high	87	Confident	23 Å²	23	69.9 Å²	69.9	14%	0.139	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.8	175.3	-179.2	0	0	0	0	108.2	Y765 L768 L772 V781	Y765-V785 HydrophobicContact CD2-CB 4.16Å; Y765-V785 HydrophobicContact CD2-CG1 4.08Å; Y765-V785 PolarHBondContact N-O 3.08Å; Y765-V785 PolarHBondContact O-N 3.17Å; L768-V785 HydrophobicContact CB-CG2 4.46Å; L768-V785 HydrophobicContact CD2-CB 4.44Å; L768-V785 HydrophobicContact CD2-CG1 4.28Å; L772-V785 HydrophobicContact CD1-CG2 3.86Å; V781-V785 HydrophobicContact CG1-CG2 4.39Å
786	I	95.9	Very high	86.6	Confident	27 Å²	27	71.4 Å²	71.4	14%	0.138	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.9	175.5	-162.4	162.8	0	0	0	109	F719 V738 V763 L764 I803 L805	F719-I786 HydrophobicContact CD1-CD1 4.29Å; V738-I786 HydrophobicContact CB-CD1 3.87Å; V738-I786 HydrophobicContact CG1-CD1 3.75Å; V738-I786 HydrophobicContact CG1-CG1 4.39Å; V763-I786 CarbonylContact O-C 3.58Å; V763-I786 WeakPolarHBondContact O-CA 3Å; L764-I786 HydrophobicContact CD1-CB 4.33Å; L764-I786 HydrophobicContact CD1-CD1 4.38Å; L764-I786 HydrophobicContact CD1-CG1 4.44Å; I786-I803 HydrophobicContact CG2-CG2 3.85Å; I786-L805 HydrophobicContact CB-CD2 4.34Å; I786-L805 HydrophobicContact CG2-CD1 4.39Å; I786-L805 HydrophobicContact CG2-CD2 4.06Å
787	A	95.5	Very high	85.9	Confident	19 Å²	19	68 Å²	68	16%	0.157	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.7	-178.9	0	0	0	0	0	110	T762 V763 Y765	T762-A787 CarbonylContact C-O 3.56Å; T762-A787 WeakPolarHBondContact CA-O 3.39Å; V763-A787 HydrophobicContact CB-CB 4.43Å; V763-A787 PolarHBondContact N-O 3.41Å; V763-A787 PolarHBondContact O-N 2.79Å; Y765-A787 HydrophobicContact CE2-CB 4.22Å
788	V	95.5	Very high	85.3	Confident	41 Å²	41	69.5 Å²	69.5	25%	0.248	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.2	174.1	-175	0	0	0	0	107.5	V738 I740 L760 G761 T762 I790 L801	V738-V788 HydrophobicContact CG1-CG2 4.02Å; V738-V788 HydrophobicContact CG2-CG2 4.1Å; I740-V788 HydrophobicContact CD1-CG1 3.66Å; I740-V788 HydrophobicContact CD1-CG2 4.2Å; I740-V788 HydrophobicContact CG1-CG1 4.25Å; L760-V788 HydrophobicContact CD1-CG1 3.86Å; G761-V788 WeakPolarHBondContact O-CA 3.23Å; T762-V788 HydrophobicContact CG2-CG1 4.28Å; T762-V788 HydrophobicContact CG2-CG2 4.35Å; V788-I790 HydrophobicContact CG1-CG1 4.45Å; V788-L801 HydrophobicContact CB-CD2 3.93Å; V788-L801 HydrophobicContact CG1-CD2 3.92Å; V788-L801 HydrophobicContact CG2-CD2 3.93Å
789	T	94.4	Very high	85	Confident	13 Å²	13	61.9 Å²	61.9	8%	0.08	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.9	-174.5	-172.1	0	0	0	0	108.9	E678 H682 G761	E678-T789 HydrophobicContact CB-CG2 4.26Å; E678-T789 HydrophobicContact CG-CG2 3.95Å; E678-T789 WeakPolarHBondContact OE2-CB 3.28Å; E678-T789 PolarHBondContact OE2-OG1 2.92Å; H682-T789 WeakPolarHBondContact NE2-CG2 3.29Å; H682-T789 PolarHBondContact NE2-OG1 2.76Å; G761-T789 PolarHBondContact N-O 3.02Å; G761-T789 PolarHBondContact O-N 2.96Å
790	I	92.4	Very high	85	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.097	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.1	-173.8	-58.6	175.4	0	0	0	108.3	L744 F745 F758 I759 L760 V788 P794	L744-I790 HydrophobicContact CD1-CD1 4.21Å; F745-I790 HydrophobicContact CE1-CD1 4.06Å; F745-I790 HydrophobicContact CE1-CG2 4.18Å; F745-I790 HydrophobicContact CZ-CD1 3.96Å; F758-I790 HydrophobicContact CB-CG2 4.44Å; F758-I790 HydrophobicContact CD1-CG2 3.94Å; I759-I790 WeakPolarHBondContact O-CA 3.05Å; L760-I790 HydrophobicContact CD1-CD1 4.14Å; L760-I790 HydrophobicContact CD1-CG1 3.7Å; V788-I790 HydrophobicContact CG1-CG1 4.45Å; I790-P794 HydrophobicContact CD1-CG 4.44Å; I790-P794 HydrophobicContact CG2-CG 4.42Å
791	R	90.9	Very high	85.2	Confident	93 Å²	93	66.9 Å²	66.9	35%	0.351	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	173.9	-68.4	-174.4	-171.1	167.3	-0.8	111.2	E679 H682 F758 I759	E679-R791 IonicContact OE2-CZ 2.87Å; E679-R791 VanDerWaalsContact OE2-CZ 3.25Å; E679-R791 IonicContact OE2-NH1 3.7Å; E679-R791 PolarHBondContact OE2-NH1 2.86Å; E679-R791 IonicContact OE2-NH2 3.77Å; E679-R791 PolarHBondContact OE2-NH2 2.93Å; H682-R791 VanDerWaalsContact CD2-CD 3.46Å; H682-R791 WeakPolarHBondContact CD2-CD 3.35Å; H682-R791 VanDerWaalsContact CD2-CZ 3.42Å; H682-R791 PolarHBondContact CD2-NE 3.44Å; H682-R791 VanDerWaalsContact CD2-NE 3.31Å; F758-R791 CarbonylContact C-O 3.5Å; F758-R791 WeakPolarHBondContact CA-O 3.44Å; I759-R791 PolarHBondContact N-O 2.91Å; I759-R791 PolarHBondContact O-N 2.84Å; I759-R791 VanDerWaalsContact O-N 3.08Å
792	P	89.1	Confident	85.4	Confident	75 Å²	75	70 Å²	70	49%	0.487	37%	0.372	S	S	.	.	S	Bend	cis	-59.9	157.7	-10.7	29.5	-36.2	0	0	0	111.4	F758	F758-P792 HydrophobicContact CD1-CG 4.08Å; F758-P792 WeakPolarHBondContact CD1-O 3.35Å; F758-P792 HydrophobicContact CE1-CG 4.03Å; F758-P792 WeakPolarHBondContact CE1-O 3.35Å
793	E	85.1	Confident	85.6	Confident	166 Å²	166	72.8 Å²	72.8	78%	0.776	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-61.8	133.1	-175.1	-69.3	180	167.3	0	0	111.2
794	P	79.3	Confident	85.7	Confident	37 Å²	37	75.5 Å²	75.5	24%	0.24	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.4	145.9	174.2	31.1	-34.7	0	0	0	109.6	L744 I790	L744-P794 HydrophobicContact CB-CB 4.17Å; L744-P794 HydrophobicContact CD2-CB 4.26Å; L744-P794 HydrophobicContact CD2-CG 4.22Å; L744-P794 VanDerWaalsContact O-CB 3.26Å; L744-P794 WeakPolarHBondContact O-CB 3.21Å; I790-P794 HydrophobicContact CD1-CG 4.44Å; I790-P794 HydrophobicContact CG2-CG 4.42Å
795	K	71.2	Confident	85.8	Confident	129 Å²	129	77 Å²	77	56%	0.561	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.3	144.2	171	-100.8	177.1	179.4	115.2	0	109.7	Q748 T797	Q748-K795 HydrophobicContact CG-CD 4.44Å; Q748-K795 VanDerWaalsContact OE1-CD 3.28Å; Q748-K795 VanDerWaalsContact OE1-CE 3.29Å; K795-T797 PolarHBondContact O-N 3.02Å
796	A	61.4	Low	85.7	Confident	111 Å²	111	77.1 Å²	77.1	92%	0.917	41%	0.408	S	S	*	.			trans	-56.2	113.3	168.9	0	0	0	0	0	109.3
797	T	60.4	Low	85.5	Confident	66 Å²	66	81.2 Å²	81.2	41%	0.405	43%	0.426	S	S	.	.			trans	-118.1	166.5	175.5	52.4	0	0	0	0	108.5	K795 S799	K795-T797 PolarHBondContact O-N 3.02Å; T797-S799 PolarHBondContact O-N 2.79Å; T797-S799 PolarHBondContact OG1-OG 2.75Å
798	E	62.8	Low	85.3	Confident	191 Å²	191	84.4 Å²	84.4	89%	0.893	44%	0.441	S	S	*	.	S	Bend	trans	-68.7	4.7	171.1	-58.2	-179.6	155.4	0	0	112.9
799	S	74.9	Confident	85	Confident	29 Å²	29	84.9 Å²	84.9	20%	0.203	45%	0.448	C	S	.	.			trans	-88.4	113.3	177.9	74	0	0	0	0	111.2	T797	T797-S799 PolarHBondContact O-N 2.79Å; T797-S799 PolarHBondContact OG1-OG 2.75Å
800	H	85.9	Confident	84.6	Confident	158 Å²	158	92 Å²	92	73%	0.731	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-97.3	148.2	179.1	-58.1	-50.3	0	0	0	111.3	P741	P741-H800 WeakPolarHBondContact CG-O 3.03Å
801	L	91.6	Very high	84.4	Confident	74 Å²	74	94.9 Å²	94.9	39%	0.387	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-75.8	130.9	170.4	-66.3	85.9	0	0	0	109.4	V738 I740 L744 V788 I803	V738-L801 HydrophobicContact CG2-CB 4.33Å; V738-L801 HydrophobicContact CG2-CD2 4.09Å; I740-L801 HydrophobicContact CG1-CD2 4.25Å; L744-L801 HydrophobicContact CD1-CD1 4.33Å; V788-L801 HydrophobicContact CB-CD2 3.93Å; V788-L801 HydrophobicContact CG1-CD2 3.92Å; V788-L801 HydrophobicContact CG2-CD2 3.93Å; L801-I803 HydrophobicContact CB-CG1 4.45Å
802	E	94.1	Very high	84.2	Confident	114 Å²	114	93.8 Å²	93.8	53%	0.533	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.2	171	-177.4	178	-136.4	0	0	108.5	V738 V739	V738-E802 CarbonylContact C-O 3.3Å; V738-E802 VanDerWaalsContact CA-O 3.31Å; V738-E802 WeakPolarHBondContact CA-O 3.34Å; V739-E802 HydrophobicContact CB-CB 4.13Å; V739-E802 HydrophobicContact CG2-CB 4.31Å; V739-E802 WeakPolarHBondContact CG2-OE2 2.94Å; V739-E802 PolarHBondContact N-O 3.01Å; V739-E802 PolarHBondContact O-N 2.03Å
803	I	95.8	Very high	84.1	Confident	87 Å²	87	98.5 Å²	98.5	45%	0.446	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.6	-177	-64.7	171.8	0	0	0	108.8	V738 I786 L801 L805	V738-I803 HydrophobicContact CB-CG1 4.22Å; V738-I803 HydrophobicContact CG2-CG1 3.71Å; I786-I803 HydrophobicContact CG2-CG2 3.85Å; L801-I803 HydrophobicContact CB-CG1 4.45Å; I803-L805 HydrophobicContact CG2-CD1 3.96Å; I803-L805 HydrophobicContact CG2-CG 3.83Å
804	E	95.3	Very high	84.3	Confident	83 Å²	83	99.7 Å²	99.7	39%	0.388	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.6	169.3	-73.7	174.1	-164.5	0	0	109.2	D736 K737	D736-E804 CarbonylContact C-O 3.55Å; D736-E804 VanDerWaalsContact CA-O 3.3Å; D736-E804 WeakPolarHBondContact CA-O 3.44Å; K737-E804 HydrophobicContact CG-CB 4.04Å; K737-E804 HydrophobicContact CG-CG 4.48Å; K737-E804 PolarHBondContact N-O 3.44Å; K737-E804 IonicContact NZ-OE1 2.6Å; K737-E804 PolarHBondContact NZ-OE1 3.49Å; K737-E804 IonicContact NZ-OE2 2.68Å; K737-E804 PolarHBondContact NZ-OE2 3.32Å; K737-E804 PolarHBondContact O-N 3.32Å; K737-E804 VanDerWaalsContact O-O 3.13Å
805	L	94.9	Very high	84.8	Confident	63 Å²	63	102 Å²	102	33%	0.33	56%	0.559	S	S	.	*			trans	-137.2	134.8	178.4	-69.3	171.7	0	0	0	109.9	D736 I786 I803	D736-L805 HydrophobicContact CB-CD2 4.12Å; D736-L805 WeakPolarHBondContact OD1-CA 3.27Å; I786-L805 HydrophobicContact CB-CD2 4.34Å; I786-L805 HydrophobicContact CG2-CD1 4.39Å; I786-L805 HydrophobicContact CG2-CD2 4.06Å; I803-L805 HydrophobicContact CG2-CD1 3.96Å; I803-L805 HydrophobicContact CG2-CG 3.83Å
806	A	93.3	Very high	85.8	Confident	24 Å²	24	102 Å²	102	20%	0.198	56%	0.557	C	S	.	*			trans	-80.9	138.6	175.8	0	0	0	0	0	110.8	E735 D736	E735-A806 HydrophobicContact CB-CB 4.41Å; D736-A806 PolarHBondContact OD1-N 3.28Å
807	H	92.5	Very high	87.3	Confident	113 Å²	113	103.1 Å²	103.1	52%	0.523	56%	0.556	S	S	.	*	B	Isolated β-bridge	trans	-68.9	135.6	173.8	-66.4	159.8	0	0	0	111.3	N782	N782-H807 CarbonylContact O-C 3.57Å; N782-H807 VanDerWaalsContact O-CA 3.27Å; N782-H807 WeakPolarHBondContact O-CA 3.01Å
808	L	89.8	Confident	88.7	Confident	87 Å²	87	104 Å²	104	46%	0.455	57%	0.57	S	S	.	*	S	Bend	trans	-80.7	-36.8	177.9	-61.9	178.7	0	0	0	112.4	N782 S783 K784	N782-L808 PolarHBondContact O-N 2.03Å; N782-L808 PolarHBondContact OD1-N 3.08Å; S783-L808 WeakPolarHBondContact O-CD1 3.34Å; K784-L808 HydrophobicContact CG-CD2 4.48Å
809	A	89.1	Confident	90	Very high	50 Å²	50	102 Å²	102	41%	0.413	57%	0.565	S	S	.	*	S	Bend	trans	-127.8	141.5	-178	0	0	0	0	0	112	N782	N782-A809 PolarHBondContact ND2-O 3.2Å; N782-A809 WeakPolarHBondContact OD1-CB 3.01Å; N782-A809 PolarHBondContact OD1-N 3.47Å; N782-A809 PolarHBondContact OD1-O 2.91Å
810	N	87.8	Confident	90.6	Very high	163 Å²	163	105.7 Å²	105.7	87%	0.872	57%	0.574	S	S	*	*	S	Bend	trans	-83.5	154	174.3	-70.2	-45.7	0	0	0	111.4
811	G	86.6	Confident	90.4	Very high	79 Å²	79	101.2 Å²	101.2	81%	0.814	56%	0.556	S	S	*	*			trans	92.1	-0.3	174.4	0	0	0	0	0	116.1
812	T	87.8	Confident	89.4	Confident	70 Å²	70	101.7 Å²	101.7	43%	0.429	57%	0.565	S	S	.	*			trans	-69.8	134.2	172.5	56.3	0	0	0	0	111.9	N782	N782-T812 HydrophobicContact CB-CG2 4.32Å; N782-T812 VanDerWaalsContact ND2-CG2 3.3Å; N782-T812 WeakPolarHBondContact ND2-CG2 3.36Å; N782-T812 PolarHBondContact ND2-OG1 2.84Å
813	M	86.8	Confident	87.9	Confident	175 Å²	175	101.7 Å²	101.7	86%	0.862	57%	0.573	S	S	*	*	S	Bend	trans	-93.4	144.5	173.8	-64.4	-159.5	-64.7	0	0	112.1
814	K	88.7	Confident	86	Confident	190 Å²	190	104 Å²	104	83%	0.826	59%	0.585	S	S	*	*	S	Bend	trans	52.5	61	174.9	-57.8	-178.2	-179.4	-179.5	0	114.2
815	P	90.8	Very high	83.4	Confident	85 Å²	85	107.4 Å²	107.4	55%	0.552	60%	0.603	S	S	*	*			trans	-57.7	142.8	166.6	28.8	-35.2	0	0	0	110.1
816	Y	91.8	Very high	82.8	Confident	131 Å²	131	109.7 Å²	109.7	51%	0.514	62%	0.617	S	S	.	*			trans	-143.8	145.4	177.8	68.5	-89.6	0	0	0	110.1	T779 A818	T779-Y816 HydrophobicContact CG2-CE1 4.36Å; Y816-A818 HydrophobicContact CD2-CB 4.44Å; Y816-A818 HydrophobicContact CE2-CB 4.05Å
817	C	92	Very high	82.3	Confident	134 Å²	134	114.2 Å²	114.2	91%	0.905	64%	0.639	S	S	*	*			trans	-74	138.6	176.1	-56.6	0	0	0	0	110.3
818	A	90.4	Very high	81.7	Confident	85 Å²	85	114.2 Å²	114.2	70%	0.702	65%	0.645	S	S	*	*			trans	-136.9	148.7	177.3	0	0	0	0	0	110.2	Y816	Y816-A818 HydrophobicContact CD2-CB 4.44Å; Y816-A818 HydrophobicContact CE2-CB 4.05Å
819	L	90.5	Very high	81.2	Confident	148 Å²	148	115.8 Å²	115.8	78%	0.775	66%	0.656	S	S	*	*			trans	-112.8	158.3	167.7	63	82.8	0	0	0	109.2	D821	L819-D821 HydrophobicContact CD1-CB 4.22Å
820	W	87.1	Confident	80.8	Confident	107 Å²	107	119.9 Å²	119.9	41%	0.405	67%	0.671	S	S	.	*			trans	-87.9	114	174.2	-165.8	-81.2	0	0	0	110.1	V671 M674 P773 M825	V671-W820 HydrophobicContact CB-CZ2 4.24Å; V671-W820 HydrophobicContact CG1-CZ2 3.7Å; V671-W820 HydrophobicContact CG2-CH2 3.71Å; V671-W820 HydrophobicContact CG2-CZ2 3.45Å; V671-W820 VanDerWaalsContact CG2-CZ2 3.45Å; V671-W820 HydrophobicContact CG2-CZ3 4.5Å; M674-W820 HydrophobicContact CE-CD2 4.02Å; M674-W820 HydrophobicContact CE-CE3 4.3Å; M674-W820 HydrophobicContact CE-CG 4.12Å; P773-W820 HydrophobicContact CG-CH2 3.98Å; W820-M825 HydrophobicContact CZ2-CE 4.05Å; W820-M825 HydrophobicContact CZ2-SD 3.75Å
821	D	81.9	Confident	80.3	Confident	64 Å²	64	117.1 Å²	117.1	34%	0.342	66%	0.658	S	S	.	*			trans	-94.2	116.8	176.6	-167.3	-28.9	0	0	0	110	L819 T823 I824	L819-D821 HydrophobicContact CD1-CB 4.22Å; D821-T823 VanDerWaalsContact C-N 3.28Å; D821-T823 PolarHBondContact O-N 2.94Å; D821-T823 WeakPolarHBondContact OD1-CB 3.48Å; D821-T823 PolarHBondContact OD1-N 3.34Å; D821-T823 PolarHBondContact OD1-OG1 3.09Å; D821-I824 HydrophobicContact CB-CD1 3.85Å; D821-I824 HydrophobicContact CB-CG1 4.11Å; D821-I824 WeakPolarHBondContact OD2-CD1 3.46Å
822	S	70.3	Confident	79.8	Confident	84 Å²	84	119.8 Å²	119.8	59%	0.587	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.1	179.7	53.5	0	0	0	0	114
823	T	63.3	Low	79.2	Confident	114 Å²	114	123.6 Å²	123.6	70%	0.699	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-5.6	179.3	70.5	0	0	0	0	114	D821	D821-T823 VanDerWaalsContact C-N 3.28Å; D821-T823 PolarHBondContact O-N 2.94Å; D821-T823 WeakPolarHBondContact OD1-CB 3.48Å; D821-T823 PolarHBondContact OD1-N 3.34Å; D821-T823 PolarHBondContact OD1-OG1 3.09Å
824	I	54.9	Low	78.6	Confident	134 Å²	134	119.3 Å²	119.3	69%	0.687	65%	0.647	S	S	*	*			trans	-104.2	10.3	-172.6	-55.7	-178.2	0	0	0	112	D821	D821-I824 HydrophobicContact CB-CD1 3.85Å; D821-I824 HydrophobicContact CB-CG1 4.11Å; D821-I824 WeakPolarHBondContact OD2-CD1 3.46Å
825	M	41.6	Very low	77.7	Confident	156 Å²	156	112.9 Å²	112.9	77%	0.768	63%	0.631	S	S	*	*			trans	-111.5	0	179.1	-61.3	-165.2	94.7	0	0	113.5	P668 V671 W820	P668-M825 HydrophobicContact CB-CE 4.05Å; P668-M825 HydrophobicContact CG-CE 4.11Å; V671-M825 HydrophobicContact CB-SD 4.47Å; V671-M825 HydrophobicContact CG1-SD 3.83Å; V671-M825 HydrophobicContact CG2-CE 4.37Å; W820-M825 HydrophobicContact CZ2-CE 4.05Å; W820-M825 HydrophobicContact CZ2-SD 3.75Å

Retrieved 825 of 825 residues in 725.6 ms (Link to these results)

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