A0A087XJ57_POEFO Loading...

phosphatidylinositol-3,5-bisphosphate 3-phosphatase

AlphaFold DB , UniProt , Accession A0A087XJ57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,222 aa.

						>A0A087XJ57_POEFO|A0A087XJ57
MEEEGQQSLECIQANQIFPKKSPVLEEENMQVPFPELHGEFTEYVGRAEDAIIAMSNYRLHIKFKESVVNVPLQLVECVECRDMFQLHVTCKDCKVVRCQFSTFEQCQEWLKRLNSVVRPPSRLEDLFSFAFHAWCMEVYAGEKEQHGELCRPGEHVTSWFKNEVERMGFDTQNAWRISDINSKFRLCPSYPQQLLVPAWITDKELENVAAFRSWKRFPAVVYRHQSTGAVIARCGQPEVSWWGWRNADDEHLVQSIAKACAVDSSGRKHLPNGSYTNGSDLPDTDFESSMTNSSEVETLAIQPHKLLILDARSYAAAVANRAKGGGCECPEYYPNCEVVFMGMANIHSIRKSFQSLRFLCTQMPDPANWLSALESTKWLQHLSLLLKAALLVVNAVDRDHRPVLVHCSDGWDRTPQIVALSKLLLDPYYRTIEGFQVLVETEWLDFGHKFADRCGHGENSEDLNERCPVFLQWLDCVHQLQRQFPCSFEFNEAFLVKLVQHTYSCLFGTFLCNSGKEREDRHVQERTCSVWSLLRPANRTLRNMLYSSHSETVLHPVCHVRNLMLWTAVYLPSSSPTTPSDDSCAPYPVPGANPEDAPLGRRTKTRSFDNLPSACELGSTLAPNRRSSDPSLNEKWQDHRRSLELNMAVGPEGGASQEPQAGGEGPCTDGQQSELGDDQQPRESQAAFQQDALVSPEGGPEEAELSVVVGMAEGQMENILQEATQETGADFQGQRPAAAAAHTEVKKEVESEGETPTMETQREIVTNGHHPDNSEMEAEDDGDSAPLPSQEEQDLHQQPNDQTQTPEGAVEESVTCSAVGEESNSGEQPLSESHRAVTNGFVGGSSEEQDIDETGPASEPEHAASESDEPLDKKASLMESSTETLTEEACSKLELLPGQPSVLPNRQPHGDGRSQHPGFRKDREAAEPGFSRTLNGGSKHASVSAFQSASAELSREGLYNGDCSDGDPSVGPHWAKGNGERAPFSRQVSLASCNSLVLHSRGICLQHRCCHAAPSRAAVSPEQPTRSHLDDDGLTLHTDAIQQRLRQIEAGHQMEVETLKKQVQELWSRLENQQHAGSHRINGDVGDELTSMTDSEYNLDPNCLSRCSTELFSEASWEQVDKQDTEVTRWYPDHLAAQCYGCESRFWLATRKHHCSGREAVQEVWNCGNVFCASCCDQKIPVPSQQLFEPCRVCKNCYSSLQLNSAPLDLELEKPIAASSN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	39.4	Very low	240 Å²	240	163 Å²	163	100%	1.182	85%	0.853	S	S	*	*				0	77.5	0	-178.5	174.6	-175.9	0	0	106.1
2	E	35.8	Very low	41.7	Very low	198 Å²	198	158.5 Å²	158.5	93%	0.925	83%	0.828	S	S	*	*			trans	-171	47.3	176.9	-113.2	163.6	-153.8	0	0	107.7
3	E	38.7	Very low	44.8	Very low	194 Å²	194	153.1 Å²	153.1	91%	0.907	80%	0.796	S	S	*	*			trans	-122.2	78.8	166.9	-83.1	-171.9	123.2	0	0	106.8
4	E	38.5	Very low	47.6	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	74%	0.742	S	S	*	*			trans	-174	84.3	167.3	-110.8	164.8	-165.6	0	0	108
5	G	33	Very low	50.1	Low	74 Å²	74	137 Å²	137	76%	0.763	71%	0.714	S	S	*	*			trans	-162.6	3.3	-174.3	0	0	0	0	0	116.5
6	Q	34.7	Very low	52.3	Low	200 Å²	200	135.8 Å²	135.8	94%	0.935	70%	0.704	S	S	*	*			trans	-130.5	65.5	176	-71.1	-178.4	-53.9	0	0	109.5
7	Q	36.7	Very low	54.4	Low	170 Å²	170	133.2 Å²	133.2	79%	0.794	69%	0.69	S	S	*	*			trans	-86.7	127.1	172.6	-73.2	-175.7	-10.5	0	0	110.7
8	S	39.4	Very low	56.4	Low	74 Å²	74	128.2 Å²	128.2	52%	0.517	66%	0.662	S	S	.	*			trans	38.5	91.9	159.4	-137	0	0	0	0	118.4	E10	S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.2Å; S8-E10 WeakPolarHBondContact OG-CA 3.47Å; S8-E10 VanDerWaalsContact OG-CB 3.31Å; S8-E10 WeakPolarHBondContact OG-CB 3.35Å; S8-E10 WeakPolarHBondContact OG-CG 3.39Å; S8-E10 PolarHBondContact OG-N 3.42Å; S8-E10 PolarHBondContact OG-OE1 3.09Å
9	L	38.4	Very low	58.1	Low	182 Å²	182	125.5 Å²	125.5	95%	0.953	65%	0.654	S	S	*	*				-80.4	92.4	128.5	-86.2	175	0	0	0	106.5	C11	L9-C11 PolarHBondContact O-N 3.46Å; L9-C11 VanDerWaalsContact O-N 3.13Å
10	E	41.2	Very low	59.8	Low	153 Å²	153	123.5 Å²	123.5	72%	0.715	64%	0.64	S	S	*	*			trans	-66.5	111	-179.6	-138.3	146.3	-87.8	0	0	108.7	S8 I12	S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.2Å; S8-E10 WeakPolarHBondContact OG-CA 3.47Å; S8-E10 VanDerWaalsContact OG-CB 3.31Å; S8-E10 WeakPolarHBondContact OG-CB 3.35Å; S8-E10 WeakPolarHBondContact OG-CG 3.39Å; S8-E10 PolarHBondContact OG-N 3.42Å; S8-E10 PolarHBondContact OG-OE1 3.09Å; E10-I12 PolarHBondContact O-N 3.16Å
11	C	56.8	Low	61.2	Low	119 Å²	119	123.6 Å²	123.6	80%	0.804	64%	0.635	S	S	*	*			trans	-72.6	94.6	178.3	-171.2	0	0	0	0	108.3	L9 Q13	L9-C11 PolarHBondContact O-N 3.46Å; L9-C11 VanDerWaalsContact O-N 3.13Å; C11-Q13 PolarHBondContact O-N 2.98Å; C11-Q13 VanDerWaalsContact O-N 3.12Å
12	I	67.6	Low	63.6	Low	109 Å²	109	117.3 Å²	117.3	56%	0.559	62%	0.615	S	S	*	*			trans	-57.2	116.4	-179.2	-49.3	179.4	0	0	0	108.2	E10 Q16 I17	E10-I12 PolarHBondContact O-N 3.16Å; I12-Q16 HydrophobicContact CG2-CB 4Å; I12-I17 HydrophobicContact CB-CD1 4.26Å; I12-I17 HydrophobicContact CB-CG1 4.43Å; I12-I17 HydrophobicContact CG2-CD1 3.89Å; I12-I17 HydrophobicContact CG2-CG1 3.53Å
13	Q	81.1	Confident	66.4	Low	88 Å²	88	110.2 Å²	110.2	41%	0.411	59%	0.586	S	S	.	*			trans	-69.8	149.8	-174.9	-66.3	-179.9	-13.5	0	0	110.4	C11 N15 Q16 I17	C11-Q13 PolarHBondContact O-N 2.98Å; C11-Q13 VanDerWaalsContact O-N 3.12Å; Q13-N15 WeakPolarHBondContact CB-ND2 3.42Å; Q13-N15 PolarHBondContact O-N 3.28Å; Q13-N15 PolarHBondContact OE1-ND2 3.23Å; Q13-N15 PolarHBondContact OE1-OD1 3.03Å; Q13-Q16 HydrophobicContact CB-CG 4.17Å; Q13-Q16 VanDerWaalsContact N-OE1 3.1Å; Q13-Q16 WeakPolarHBondContact O-CB 3.43Å; Q13-Q16 PolarHBondContact O-N 2.88Å; Q13-I17 PolarHBondContact O-N 3.43Å
14	A	84.3	Confident	69	Low	5 Å²	5	104.8 Å²	104.8	4%	0.041	57%	0.566	C	S	.	*	H	α-helix	trans	-62	-28.2	177	0	0	0	0	0	111.2	Q16 I17 F18 A134 W135 E138	A14-Q16 VanDerWaalsContact C-N 3.28Å; A14-Q16 PolarHBondContact O-N 2.74Å; A14-I17 PolarHBondContact O-N 2.75Å; A14-F18 CarbonylContact O-C 3.38Å; A14-F18 WeakPolarHBondContact O-CA 3.37Å; A14-F18 PolarHBondContact O-N 2.82Å; A14-A134 VanDerWaalsContact CB-C 3.46Å; A14-A134 HydrophobicContact CB-CB 3.81Å; A14-A134 WeakPolarHBondContact CB-O 3.24Å; A14-W135 HydrophobicContact CB-CB 4.41Å; A14-W135 HydrophobicContact CB-CD2 4.17Å; A14-W135 HydrophobicContact CB-CG 3.85Å; A14-W135 PolarHBondContact O-NE1 3.1Å; A14-E138 WeakPolarHBondContact CA-OE2 3.39Å; A14-E138 HydrophobicContact CB-CB 4.26Å; A14-E138 VanDerWaalsContact CB-OE2 3.22Å; A14-E138 WeakPolarHBondContact CB-OE2 3.45Å; A14-E138 PolarHBondContact N-OE2 3.14Å
15	N	84.9	Confident	71.7	Confident	60 Å²	60	98.9 Å²	98.9	32%	0.321	54%	0.54	S	S	.	.	H	α-helix	trans	-67.4	-20.3	171.6	70.7	55	0	0	0	114.7	Q13 P19 W135 E138	Q13-N15 WeakPolarHBondContact CB-ND2 3.42Å; Q13-N15 PolarHBondContact O-N 3.28Å; Q13-N15 PolarHBondContact OE1-ND2 3.23Å; Q13-N15 PolarHBondContact OE1-OD1 3.03Å; N15-P19 WeakPolarHBondContact O-CA 3.15Å; N15-P19 WeakPolarHBondContact O-CB 3.16Å; N15-W135 HydrophobicContact CB-CH2 3.91Å; N15-W135 HydrophobicContact CB-CZ2 3.85Å; N15-E138 PolarHBondContact ND2-OE1 3.03Å
16	Q	86.3	Confident	74.5	Confident	117 Å²	117	98.5 Å²	98.5	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-86.6	-37	176	-65.9	166.2	-4.6	0	0	111.6	I12 Q13 A14	I12-Q16 HydrophobicContact CG2-CB 4Å; Q13-Q16 HydrophobicContact CB-CG 4.17Å; Q13-Q16 VanDerWaalsContact N-OE1 3.1Å; Q13-Q16 WeakPolarHBondContact O-CB 3.43Å; Q13-Q16 PolarHBondContact O-N 2.88Å; A14-Q16 VanDerWaalsContact C-N 3.28Å; A14-Q16 PolarHBondContact O-N 2.74Å
17	I	86.9	Confident	77.1	Confident	93 Å²	93	92 Å²	92	48%	0.477	49%	0.488	S	S	.	.	H	α-helix	trans	-81.7	-42.2	179.2	-49.7	176.7	0	0	0	111	I12 Q13 A14 P19	I12-I17 HydrophobicContact CB-CD1 4.26Å; I12-I17 HydrophobicContact CB-CG1 4.43Å; I12-I17 HydrophobicContact CG2-CD1 3.89Å; I12-I17 HydrophobicContact CG2-CG1 3.53Å; Q13-I17 PolarHBondContact O-N 3.43Å; A14-I17 PolarHBondContact O-N 2.75Å; I17-P19 VanDerWaalsContact C-CD 3.46Å; I17-P19 WeakPolarHBondContact O-CD 3.45Å
18	F	90.6	Very high	79.4	Confident	43 Å²	43	93.3 Å²	93.3	19%	0.189	49%	0.494	C	S	.	.	S	Bend	trans	-126.9	68.6	-175.6	-57.1	-74.7	0	0	0	110.4	A14 K20 F130 A131 A134 W135	A14-F18 CarbonylContact O-C 3.38Å; A14-F18 WeakPolarHBondContact O-CA 3.37Å; A14-F18 PolarHBondContact O-N 2.82Å; F18-K20 PolarHBondContact O-N 2.88Å; F18-F130 HydrophobicContact CE1-CB 4.29Å; F18-F130 HydrophobicContact CE2-CB 4.44Å; F18-F130 HydrophobicContact CZ-CB 3.7Å; F18-A131 HydrophobicContact CB-CB 4.05Å; F18-A131 HydrophobicContact CD1-CB 3.74Å; F18-A131 HydrophobicContact CD2-CB 4.29Å; F18-A131 HydrophobicContact CE1-CB 4.24Å; F18-A131 HydrophobicContact CG-CB 3.77Å; F18-A134 HydrophobicContact CD2-CB 3.77Å; F18-A134 HydrophobicContact CE2-CB 3.78Å; F18-W135 PolarHBondContact O-NE1 2.98Å
19	P	89.7	Confident	81.7	Confident	77 Å²	77	95.6 Å²	95.6	50%	0.5	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-65.2	129.8	-178.7	26.4	-34.7	0	0	0	111.8	N15 I17	N15-P19 WeakPolarHBondContact O-CA 3.15Å; N15-P19 WeakPolarHBondContact O-CB 3.16Å; I17-P19 VanDerWaalsContact C-CD 3.46Å; I17-P19 WeakPolarHBondContact O-CD 3.45Å
20	K	91	Very high	84.2	Confident	85 Å²	85	87.6 Å²	87.6	37%	0.37	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-72.8	131.6	173	-65.4	-166	174.1	-152.7	0	110.5	F18 E40 F41 W135	F18-K20 PolarHBondContact O-N 2.88Å; K20-E40 WeakPolarHBondContact CE-O 3.48Å; K20-E40 PolarHBondContact NZ-O 3.3Å; K20-F41 HydrophobicContact CB-CB 3.99Å; K20-F41 HydrophobicContact CB-CD1 4.08Å; K20-F41 HydrophobicContact CB-CG 4.11Å; K20-F41 HydrophobicContact CD-CB 4.16Å; K20-F41 HydrophobicContact CG-CB 4.04Å; K20-F41 HydrophobicContact CG-CD1 3.91Å; K20-F41 HydrophobicContact CG-CG 4.27Å; K20-W135 HydrophobicContact CD-CH2 4.11Å; K20-W135 HydrophobicContact CD-CZ2 4.27Å; K20-W135 HydrophobicContact CG-CH2 4.01Å; K20-W135 HydrophobicContact CG-CZ2 3.73Å
21	K	89.9	Confident	86.5	Confident	126 Å²	126	87.5 Å²	87.5	55%	0.548	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-91.8	154.8	173.2	-52.8	174.9	-159.9	157.5	0	110.3	F41 E43	K21-F41 HydrophobicContact CB-CD2 3.88Å; K21-F41 HydrophobicContact CB-CE2 3.64Å; K21-F41 HydrophobicContact CB-CZ 4.49Å; K21-F41 HydrophobicContact CD-CE2 3.75Å; K21-F41 HydrophobicContact CD-CZ 4.21Å; K21-F41 HydrophobicContact CG-CD2 4.3Å; K21-F41 HydrophobicContact CG-CE2 3.58Å; K21-F41 HydrophobicContact CG-CZ 4.01Å; K21-E43 IonicContact NZ-OE1 3.25Å; K21-E43 PolarHBondContact NZ-OE1 2.61Å
22	S	89.9	Confident	88.1	Confident	107 Å²	107	84.1 Å²	84.1	75%	0.748	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-72.3	141.6	167	-58.4	0	0	0	0	110.7
23	P	93.8	Very high	89.2	Confident	50 Å²	50	79.8 Å²	79.8	33%	0.325	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-68.8	140.2	179.1	26.8	-34.4	0	0	0	112.5	L25 V32 T42	P23-L25 HydrophobicContact CB-CD2 4.17Å; P23-L25 HydrophobicContact CG-CD2 4.29Å; P23-V32 HydrophobicContact CG-CG2 4.44Å; P23-T42 VanDerWaalsContact CA-O 3.25Å; P23-T42 WeakPolarHBondContact CA-O 3.36Å; P23-T42 HydrophobicContact CB-CG2 4.27Å; P23-T42 WeakPolarHBondContact CB-O 3.39Å
24	V	94.8	Very high	89.6	Confident	79 Å²	79	76.2 Å²	76.2	48%	0.479	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.9	167.1	-178.3	0	0	0	0	108.6	E43 Y44 V45	V24-E43 WeakPolarHBondContact CB-O 3.41Å; V24-E43 PolarHBondContact N-O 3.25Å; V24-Y44 HydrophobicContact CB-CD1 3.84Å; V24-Y44 HydrophobicContact CB-CE1 4.13Å; V24-Y44 HydrophobicContact CG1-CD1 4.22Å; V24-Y44 HydrophobicContact CG1-CE1 4.43Å; V24-Y44 HydrophobicContact CG2-CD1 4.35Å; V24-Y44 HydrophobicContact CG2-CE1 4.17Å; V24-Y44 CarbonylContact O-C 3.18Å; V24-Y44 WeakPolarHBondContact O-CA 3.22Å; V24-V45 PolarHBondContact O-N 3.24Å
25	L	94.3	Very high	89.9	Confident	65 Å²	65	78.2 Å²	78.2	34%	0.34	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	178.7	-50.5	178.7	0	0	0	109.9	P23 E27 M30 V45	P23-L25 HydrophobicContact CB-CD2 4.17Å; P23-L25 HydrophobicContact CG-CD2 4.29Å; L25-E27 VanDerWaalsContact C-N 3.29Å; L25-M30 WeakPolarHBondContact CD1-O 3.41Å; L25-V45 HydrophobicContact CD2-CB 3.74Å; L25-V45 HydrophobicContact CD2-CG1 4.5Å; L25-V45 HydrophobicContact CD2-CG2 3.84Å
26	E	91.6	Very high	90.3	Very high	66 Å²	66	79 Å²	79	31%	0.308	41%	0.41	S	S	.	.	S	Bend	trans	-73.7	-21.3	174.2	-66.9	179.1	172.8	0	0	113.1	V45 G46 R47 W110 R113	E26-V45 PolarHBondContact N-O 3.05Å; E26-G46 VanDerWaalsContact CD-CA 3.43Å; E26-G46 WeakPolarHBondContact OE2-CA 3.44Å; E26-R47 PolarHBondContact OE2-N 3.46Å; E26-W110 PolarHBondContact OE1-NE1 3.09Å; E26-R113 IonicContact OE1-CZ 2.73Å; E26-R113 IonicContact OE1-NH1 3.01Å; E26-R113 PolarHBondContact OE1-NH1 3.11Å; E26-R113 IonicContact OE1-NH2 3.32Å
27	E	89.1	Confident	90.7	Very high	64 Å²	64	74.7 Å²	74.7	30%	0.299	39%	0.39	S	S	.	.	S	Bend	trans	-135.5	131.2	173.1	-56.2	171	-166.3	0	0	108.3	L25 N29 M30 R47	L25-E27 VanDerWaalsContact C-N 3.29Å; E27-N29 VanDerWaalsContact CB-OD1 3.24Å; E27-N29 WeakPolarHBondContact CB-OD1 3.1Å; E27-N29 PolarHBondContact O-N 3.15Å; E27-N29 PolarHBondContact OE2-OD1 3.18Å; E27-M30 HydrophobicContact CB-CG 3.81Å; E27-M30 HydrophobicContact CG-CG 4.5Å; E27-M30 WeakPolarHBondContact O-CB 3.45Å; E27-M30 PolarHBondContact O-N 2.94Å; E27-R47 IonicContact OE1-CZ 3.74Å; E27-R47 IonicContact OE1-NE 2.7Å; E27-R47 PolarHBondContact OE1-NE 3.12Å; E27-R47 IonicContact OE1-NH2 3.47Å; E27-R47 IonicContact OE2-CZ 3.57Å; E27-R47 IonicContact OE2-NE 2.73Å; E27-R47 PolarHBondContact OE2-NE 3.15Å; E27-R47 IonicContact OE2-NH2 3.57Å; E27-R47 PolarHBondContact OE2-NH2 3.34Å
28	E	84.8	Confident	90.9	Very high	198 Å²	198	73.1 Å²	73.1	93%	0.925	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.6	-173.5	-62.2	-177.3	157.2	0	0	114.7
29	N	88.8	Confident	91	Very high	121 Å²	121	71.1 Å²	71.1	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.8	179.6	65	-11.6	0	0	0	113.7	E27	E27-N29 VanDerWaalsContact CB-OD1 3.24Å; E27-N29 WeakPolarHBondContact CB-OD1 3.1Å; E27-N29 PolarHBondContact O-N 3.15Å; E27-N29 PolarHBondContact OE2-OD1 3.18Å
30	M	90.5	Very high	91.3	Very high	15 Å²	15	67.5 Å²	67.5	7%	0.074	35%	0.349	C	S	.	.			trans	-75.8	155.5	-179.8	-70.8	-80.5	-97.3	0	0	111.5	L25 E27 V45 G46 R47 I52	L25-M30 WeakPolarHBondContact CD1-O 3.41Å; E27-M30 HydrophobicContact CB-CG 3.81Å; E27-M30 HydrophobicContact CG-CG 4.5Å; E27-M30 WeakPolarHBondContact O-CB 3.45Å; E27-M30 PolarHBondContact O-N 2.94Å; M30-V45 HydrophobicContact CB-CG1 4.12Å; M30-V45 HydrophobicContact CE-CG1 4.17Å; M30-G46 WeakPolarHBondContact CE-O 3.36Å; M30-R47 HydrophobicContact CE-CB 4.33Å; M30-R47 PolarHBondContact SD-NH2 3.27Å; M30-I52 HydrophobicContact CE-CB 4.45Å; M30-I52 HydrophobicContact CE-CG1 4.13Å; M30-I52 HydrophobicContact CE-CG2 3.83Å; M30-I52 HydrophobicContact SD-CD1 4.41Å
31	Q	90.6	Very high	91.5	Very high	151 Å²	151	64.2 Å²	64.2	71%	0.706	34%	0.335	S	S	*	.			trans	-138.7	154.5	-179.9	-63.1	-176.6	2.3	0	0	109.4	P33	Q31-P33 WeakPolarHBondContact O-CD 3.35Å
32	V	90.3	Very high	91.8	Very high	48 Å²	48	58.2 Å²	58.2	29%	0.291	31%	0.309	S	S	.	.			trans	-58.4	120.1	176.1	-177.9	0	0	0	0	109.1	P23 F34 E36 T42 V45	P23-V32 HydrophobicContact CG-CG2 4.44Å; V32-F34 VanDerWaalsContact C-N 3.28Å; V32-F34 HydrophobicContact CG1-CD1 4.26Å; V32-F34 HydrophobicContact CG1-CD2 4.25Å; V32-F34 HydrophobicContact CG1-CE1 4.12Å; V32-F34 HydrophobicContact CG1-CE2 4.13Å; V32-F34 HydrophobicContact CG1-CG 4.33Å; V32-F34 HydrophobicContact CG1-CZ 4.05Å; V32-F34 WeakPolarHBondContact CG1-O 3.37Å; V32-F34 PolarHBondContact O-N 2.58Å; V32-E36 HydrophobicContact CG1-CG 4.45Å; V32-T42 HydrophobicContact CG1-CG2 4.44Å; V32-T42 WeakPolarHBondContact CG1-OG1 3.26Å; V32-T42 HydrophobicContact CG2-CG2 4.16Å; V32-V45 HydrophobicContact CG2-CG2 4.48Å
33	P	89.9	Confident	92.1	Very high	18 Å²	18	54.6 Å²	54.6	12%	0.117	28%	0.28	C	S	.	.	S	Bend	trans	-81.9	-0.1	-168.6	28.3	-30.9	0	0	0	114.8	Q31 I52 A54 K63	Q31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-I52 HydrophobicContact CB-CG2 4.32Å; P33-I52 HydrophobicContact CG-CG2 4Å; P33-A54 HydrophobicContact CG-CB 3.85Å; P33-K63 HydrophobicContact CB-CD 4.05Å
34	F	90.3	Very high	92.2	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.053	28%	0.277	C	S	.	.	S	Bend	trans	-139.5	157.8	-175.7	56.8	-94.2	0	0	0	112.4	V32 E36 T42 A54 R59 H61 L1030	V32-F34 VanDerWaalsContact C-N 3.28Å; V32-F34 HydrophobicContact CG1-CD1 4.26Å; V32-F34 HydrophobicContact CG1-CD2 4.25Å; V32-F34 HydrophobicContact CG1-CE1 4.12Å; V32-F34 HydrophobicContact CG1-CE2 4.13Å; V32-F34 HydrophobicContact CG1-CG 4.33Å; V32-F34 HydrophobicContact CG1-CZ 4.05Å; V32-F34 WeakPolarHBondContact CG1-O 3.37Å; V32-F34 PolarHBondContact O-N 2.58Å; F34-E36 HydrophobicContact CD2-CG 4.43Å; F34-E36 HydrophobicContact CE2-CG 4.03Å; F34-T42 WeakPolarHBondContact CZ-OG1 3.38Å; F34-A54 HydrophobicContact CE1-CB 3.88Å; F34-R59 VanDerWaalsContact CD2-NH2 3.29Å; F34-H61 HydrophobicContact CD1-CB 3.53Å; F34-H61 AromaticContact CD1-CD2 3.71Å; F34-H61 AromaticContact CD1-CG 3.35Å; F34-H61 AromaticContact CD1-ND1 3.59Å; F34-H61 HydrophobicContact CE1-CB 3.52Å; F34-H61 AromaticContact CE1-CG 3.9Å; F34-H61 AromaticContact CG-ND1 3.96Å; F34-H61 HydrophobicContact CZ-CB 4.49Å; F34-L1030 HydrophobicContact CB-CD1 4.2Å
35	P	90.9	Very high	92.3	Very high	48 Å²	48	51.6 Å²	51.6	31%	0.312	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-73.1	129.7	166.5	30.4	-34.1	0	0	0	111.3	R59 L1030	P35-R59 PolarHBondContact O-NH2 3.42Å; P35-L1030 HydrophobicContact CG-CD1 4.12Å
36	E	92.9	Very high	92.3	Very high	75 Å²	75	48.5 Å²	48.5	35%	0.35	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-78.9	148	176.7	-62.6	179.6	159.7	0	0	112.2	V32 F34 E40 T42	V32-E36 HydrophobicContact CG1-CG 4.45Å; F34-E36 HydrophobicContact CD2-CG 4.43Å; F34-E36 HydrophobicContact CE2-CG 4.03Å; E36-E40 WeakPolarHBondContact CA-OE2 3.41Å; E36-E40 HydrophobicContact CB-CB 4.23Å; E36-E40 HydrophobicContact CB-CG 4.36Å; E36-T42 WeakPolarHBondContact OE1-CB 3.33Å; E36-T42 PolarHBondContact OE1-N 2.81Å; E36-T42 PolarHBondContact OE1-OG1 3.25Å
37	L	93.4	Very high	92.4	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-79.6	172.5	172.4	-58.2	176.6	0	0	0	112.5	G39 E40 Y58 F128 F132 L507	L37-G39 PolarHBondContact O-N 2.83Å; L37-E40 HydrophobicContact CB-CB 3.98Å; L37-E40 PolarHBondContact N-OE2 3.2Å; L37-E40 WeakPolarHBondContact O-CB 3.48Å; L37-E40 PolarHBondContact O-N 3.3Å; L37-E40 VanDerWaalsContact O-N 3.12Å; L37-Y58 HydrophobicContact CD1-CD1 3.81Å; L37-Y58 HydrophobicContact CD1-CE1 3.66Å; L37-F128 HydrophobicContact CB-CZ 4.49Å; L37-F128 HydrophobicContact CD1-CE1 4.32Å; L37-F132 HydrophobicContact CB-CE2 4.47Å; L37-L507 HydrophobicContact CD1-CD1 4.15Å
38	H	91.8	Very high	92.5	Very high	61 Å²	61	46.5 Å²	46.5	28%	0.282	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.7	166.2	-62	117.7	0	0	0	110.1	E40 F128 F132 W135 C136	H38-E40 PolarHBondContact O-N 3.37Å; H38-F128 WeakPolarHBondContact O-CZ 3.46Å; H38-F132 HydrophobicContact CB-CD2 4.35Å; H38-F132 HydrophobicContact CB-CE2 4.44Å; H38-F132 WeakPolarHBondContact O-CD2 3.3Å; H38-W135 HydrophobicContact CB-CB 4.08Å; H38-C136 PolarHBondContact ND1-SG 3.46Å
39	G	92.8	Very high	92.7	Very high	1 Å²	1	43 Å²	43	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-13.2	-174.4	0	0	0	0	0	116.1	L37 N57 W135	L37-G39 PolarHBondContact O-N 2.83Å; G39-N57 PolarHBondContact O-ND2 3.36Å; G39-W135 VanDerWaalsContact CA-CD1 3.43Å; G39-W135 VanDerWaalsContact CA-CG 3.42Å; G39-W135 VanDerWaalsContact N-CB 3.26Å
40	E	95.6	Very high	92.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.			trans	-76.4	141.2	176.8	-171.4	177.4	-158.1	0	0	111.2	K20 E36 L37 H38 S56 N57 R59 F128	K20-E40 WeakPolarHBondContact CE-O 3.48Å; K20-E40 PolarHBondContact NZ-O 3.3Å; E36-E40 WeakPolarHBondContact CA-OE2 3.41Å; E36-E40 HydrophobicContact CB-CB 4.23Å; E36-E40 HydrophobicContact CB-CG 4.36Å; L37-E40 HydrophobicContact CB-CB 3.98Å; L37-E40 PolarHBondContact N-OE2 3.2Å; L37-E40 WeakPolarHBondContact O-CB 3.48Å; L37-E40 PolarHBondContact O-N 3.3Å; L37-E40 VanDerWaalsContact O-N 3.12Å; H38-E40 PolarHBondContact O-N 3.37Å; E40-S56 VanDerWaalsContact OE1-CB 3.27Å; E40-S56 WeakPolarHBondContact OE1-CB 3.41Å; E40-S56 PolarHBondContact OE1-OG 2.73Å; E40-N57 VanDerWaalsContact CA-OD1 3.25Å; E40-N57 WeakPolarHBondContact CA-OD1 3.3Å; E40-R59 WeakPolarHBondContact OE1-CG 3.47Å; E40-R59 IonicContact OE1-CZ 3.89Å; E40-R59 IonicContact OE1-NE 3.52Å; E40-R59 PolarHBondContact OE1-NE 3.43Å; E40-R59 IonicContact OE1-NH2 2.77Å; E40-R59 PolarHBondContact OE1-NH2 3.42Å; E40-R59 IonicContact OE2-CZ 3.53Å; E40-R59 IonicContact OE2-NE 3.12Å; E40-R59 PolarHBondContact OE2-NE 2.84Å; E40-R59 IonicContact OE2-NH2 3.48Å; E40-R59 PolarHBondContact OE2-NH2 2.64Å; E40-F128 HydrophobicContact CB-CE2 3.99Å; E40-F128 HydrophobicContact CB-CZ 3.74Å
41	F	95.3	Very high	92.8	Very high	16 Å²	16	41 Å²	41	7%	0.07	20%	0.2	C	C	.	.			trans	-145.6	142.9	165.3	59.9	-86.8	0	0	0	110.1	K20 K21 E43 S56 N57	K20-F41 HydrophobicContact CB-CB 3.99Å; K20-F41 HydrophobicContact CB-CD1 4.08Å; K20-F41 HydrophobicContact CB-CG 4.11Å; K20-F41 HydrophobicContact CD-CB 4.16Å; K20-F41 HydrophobicContact CG-CB 4.04Å; K20-F41 HydrophobicContact CG-CD1 3.91Å; K20-F41 HydrophobicContact CG-CG 4.27Å; K21-F41 HydrophobicContact CB-CD2 3.88Å; K21-F41 HydrophobicContact CB-CE2 3.64Å; K21-F41 HydrophobicContact CB-CZ 4.49Å; K21-F41 HydrophobicContact CD-CE2 3.75Å; K21-F41 HydrophobicContact CD-CZ 4.21Å; K21-F41 HydrophobicContact CG-CD2 4.3Å; K21-F41 HydrophobicContact CG-CE2 3.58Å; K21-F41 HydrophobicContact CG-CZ 4.01Å; F41-E43 HydrophobicContact CD2-CG 4.12Å; F41-E43 HydrophobicContact CE2-CG 3.74Å; F41-E43 WeakPolarHBondContact CE2-OE1 3.4Å; F41-S56 WeakPolarHBondContact O-CA 3.37Å; F41-S56 VanDerWaalsContact O-CB 3.22Å; F41-S56 WeakPolarHBondContact O-CB 3.21Å; F41-N57 WeakPolarHBondContact CD1-ND2 3.34Å; F41-N57 HydrophobicContact CE1-CB 4.15Å; F41-N57 VanDerWaalsContact CE1-ND2 3.29Å; F41-N57 WeakPolarHBondContact CE1-ND2 3.35Å; F41-N57 HydrophobicContact CZ-CB 4.15Å; F41-N57 PolarHBondContact N-OD1 2.85Å; F41-N57 PolarHBondContact O-N 2.96Å; F41-N57 VanDerWaalsContact O-N 3.12Å; F41-N57 PolarHBondContact O-OD1 3.46Å
42	T	96.3	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.4	177.2	-54.9	0	0	0	0	110	P23 V32 F34 E36 V45 A54	P23-T42 VanDerWaalsContact CA-O 3.25Å; P23-T42 WeakPolarHBondContact CA-O 3.36Å; P23-T42 HydrophobicContact CB-CG2 4.27Å; P23-T42 WeakPolarHBondContact CB-O 3.39Å; V32-T42 HydrophobicContact CG1-CG2 4.44Å; V32-T42 WeakPolarHBondContact CG1-OG1 3.26Å; V32-T42 HydrophobicContact CG2-CG2 4.16Å; F34-T42 WeakPolarHBondContact CZ-OG1 3.38Å; E36-T42 WeakPolarHBondContact OE1-CB 3.33Å; E36-T42 PolarHBondContact OE1-N 2.81Å; E36-T42 PolarHBondContact OE1-OG1 3.25Å; T42-V45 HydrophobicContact CG2-CG2 3.54Å; T42-A54 HydrophobicContact CG2-CB 4.47Å
43	E	95.8	Very high	93.2	Very high	30 Å²	30	33.7 Å²	33.7	14%	0.14	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-39	176.7	-62	-149.6	135.1	0	0	112	K21 V24 F41 M55	K21-E43 IonicContact NZ-OE1 3.25Å; K21-E43 PolarHBondContact NZ-OE1 2.61Å; V24-E43 WeakPolarHBondContact CB-O 3.41Å; V24-E43 PolarHBondContact N-O 3.25Å; F41-E43 HydrophobicContact CD2-CG 4.12Å; F41-E43 HydrophobicContact CE2-CG 3.74Å; F41-E43 WeakPolarHBondContact CE2-OE1 3.4Å; E43-M55 PolarHBondContact N-O 3.17Å
44	Y	96.5	Very high	93.5	Very high	66 Å²	66	32.9 Å²	32.9	26%	0.259	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.7	-176	-59.4	-87.5	0	0	0	112	V24 A54 M55	V24-Y44 HydrophobicContact CB-CD1 3.84Å; V24-Y44 HydrophobicContact CB-CE1 4.13Å; V24-Y44 HydrophobicContact CG1-CD1 4.22Å; V24-Y44 HydrophobicContact CG1-CE1 4.43Å; V24-Y44 HydrophobicContact CG2-CD1 4.35Å; V24-Y44 HydrophobicContact CG2-CE1 4.17Å; V24-Y44 CarbonylContact O-C 3.18Å; V24-Y44 WeakPolarHBondContact O-CA 3.22Å; Y44-A54 CarbonylContact O-C 3.59Å; Y44-A54 VanDerWaalsContact O-CA 3.24Å; Y44-A54 WeakPolarHBondContact O-CA 3.48Å; Y44-M55 HydrophobicContact CD2-CE 3.65Å; Y44-M55 HydrophobicContact CE2-CE 3.98Å; Y44-M55 PolarHBondContact N-O 3.23Å; Y44-M55 VanDerWaalsContact N-O 3.13Å; Y44-M55 PolarHBondContact O-N 3.29Å
45	V	96.9	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.8	170.7	-174.9	0	0	0	0	109.6	V24 L25 E26 M30 V32 T42 I52 A54	V24-V45 PolarHBondContact O-N 3.24Å; L25-V45 HydrophobicContact CD2-CB 3.74Å; L25-V45 HydrophobicContact CD2-CG1 4.5Å; L25-V45 HydrophobicContact CD2-CG2 3.84Å; E26-V45 PolarHBondContact N-O 3.05Å; M30-V45 HydrophobicContact CB-CG1 4.12Å; M30-V45 HydrophobicContact CE-CG1 4.17Å; V32-V45 HydrophobicContact CG2-CG2 4.48Å; T42-V45 HydrophobicContact CG2-CG2 3.54Å; V45-I52 HydrophobicContact CG1-CG2 4.29Å; V45-A54 HydrophobicContact CG1-CB 4.44Å; V45-A54 HydrophobicContact CG2-CB 4.14Å
46	G	95.1	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-177.9	-172.7	0	0	0	0	0	114.6	E26 M30 I53	E26-G46 VanDerWaalsContact CD-CA 3.43Å; E26-G46 WeakPolarHBondContact OE2-CA 3.44Å; M30-G46 WeakPolarHBondContact CE-O 3.36Å; G46-I53 PolarHBondContact N-O 3.17Å; G46-I53 PolarHBondContact O-N 3.44Å
47	R	92.4	Very high	94.2	Very high	85 Å²	85	28.5 Å²	28.5	32%	0.321	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.4	-175.2	-171.2	178	-56.6	-69.3	-1.6	112.7	E26 E27 M30	E26-R47 PolarHBondContact OE2-N 3.46Å; E27-R47 IonicContact OE1-CZ 3.74Å; E27-R47 IonicContact OE1-NE 2.7Å; E27-R47 PolarHBondContact OE1-NE 3.12Å; E27-R47 IonicContact OE1-NH2 3.47Å; E27-R47 IonicContact OE2-CZ 3.57Å; E27-R47 IonicContact OE2-NE 2.73Å; E27-R47 PolarHBondContact OE2-NE 3.15Å; E27-R47 IonicContact OE2-NH2 3.57Å; E27-R47 PolarHBondContact OE2-NH2 3.34Å; M30-R47 HydrophobicContact CE-CB 4.33Å; M30-R47 PolarHBondContact SD-NH2 3.27Å
48	A	91.6	Very high	94.3	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	164	162.2	0	0	0	0	0	109.5	D50 A51 Q100 F101	A48-D50 VanDerWaalsContact C-N 3.29Å; A48-D50 PolarHBondContact O-N 2.98Å; A48-A51 CarbonylContact C-O 3.57Å; A48-A51 WeakPolarHBondContact CA-O 3.5Å; A48-A51 HydrophobicContact CB-CB 4.21Å; A48-A51 PolarHBondContact N-O 3.19Å; A48-A51 PolarHBondContact O-N 3.28Å; A48-Q100 CarbonylContact C-O 3.59Å; A48-Q100 WeakPolarHBondContact CA-O 3Å; A48-Q100 VanDerWaalsContact CB-O 3.31Å; A48-Q100 WeakPolarHBondContact CB-O 3.29Å; A48-F101 HydrophobicContact CB-CD1 4.44Å; A48-F101 HydrophobicContact CB-CE1 4.34Å
49	E	89.9	Confident	94.5	Very high	124 Å²	124	24.5 Å²	24.5	58%	0.579	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-41.9	-171.3	-173.5	174.1	-171.2	0	0	112.9	Q100	E49-Q100 HydrophobicContact CB-CB 4.44Å; E49-Q100 HydrophobicContact CB-CG 4.49Å; E49-Q100 PolarHBondContact N-O 3.47Å; E49-Q100 WeakPolarHBondContact OE2-CG 3.4Å
50	D	88.7	Confident	94.7	Very high	88 Å²	88	24.5 Å²	24.5	47%	0.471	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	10.1	-179.7	-97	-41.1	0	0	0	114.2	A48 K65	A48-D50 VanDerWaalsContact C-N 3.29Å; A48-D50 PolarHBondContact O-N 2.98Å; D50-K65 WeakPolarHBondContact OD1-CE 3.46Å; D50-K65 IonicContact OD1-NZ 2.58Å; D50-K65 PolarHBondContact OD1-NZ 2.92Å
51	A	92.7	Very high	94.6	Very high	8 Å²	8	24.7 Å²	24.7	7%	0.066	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.5	-174.3	0	0	0	0	0	115.1	A48 I62 K63 F64	A48-A51 CarbonylContact C-O 3.57Å; A48-A51 WeakPolarHBondContact CA-O 3.5Å; A48-A51 HydrophobicContact CB-CB 4.21Å; A48-A51 PolarHBondContact N-O 3.19Å; A48-A51 PolarHBondContact O-N 3.28Å; A51-I62 HydrophobicContact CB-CG2 3.81Å; A51-K63 CarbonylContact C-O 3.55Å; A51-K63 VanDerWaalsContact CA-O 3.22Å; A51-K63 WeakPolarHBondContact CA-O 3.31Å; A51-K63 WeakPolarHBondContact CB-O 3.48Å; A51-F64 HydrophobicContact CB-CD1 3.69Å; A51-F64 HydrophobicContact CB-CE1 3.96Å; A51-F64 HydrophobicContact CB-CG 4.07Å
52	I	93.9	Very high	94.5	Very high	44 Å²	44	24 Å²	24	23%	0.226	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.2	160.2	-60.3	177.3	0	0	0	107.5	M30 P33 V45 I62 K63	M30-I52 HydrophobicContact CE-CB 4.45Å; M30-I52 HydrophobicContact CE-CG1 4.13Å; M30-I52 HydrophobicContact CE-CG2 3.83Å; M30-I52 HydrophobicContact SD-CD1 4.41Å; P33-I52 HydrophobicContact CB-CG2 4.32Å; P33-I52 HydrophobicContact CG-CG2 4Å; V45-I52 HydrophobicContact CG1-CG2 4.29Å; I52-I62 WeakPolarHBondContact O-CA 3.24Å; I52-K63 HydrophobicContact CB-CB 4.44Å; I52-K63 PolarHBondContact N-O 3.23Å; I52-K63 PolarHBondContact O-N 3.07Å
53	I	95.5	Very high	94.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.8	176.8	-175.7	170.3	0	0	0	109.1	G46 L60 I62 F101 W110	G46-I53 PolarHBondContact N-O 3.17Å; G46-I53 PolarHBondContact O-N 3.44Å; I53-L60 HydrophobicContact CD1-CD1 4.04Å; I53-L60 HydrophobicContact CG1-CD1 3.82Å; I53-I62 HydrophobicContact CD1-CG1 4.31Å; I53-I62 HydrophobicContact CG1-CG1 4.02Å; I53-F101 HydrophobicContact CD1-CZ 3.99Å; I53-F101 HydrophobicContact CG2-CE1 4.25Å; I53-F101 HydrophobicContact CG2-CZ 4.48Å; I53-W110 HydrophobicContact CD1-CD2 3.99Å; I53-W110 HydrophobicContact CD1-CE3 3.66Å; I53-W110 HydrophobicContact CD1-CZ3 3.97Å; I53-W110 HydrophobicContact CG1-CD2 4.42Å; I53-W110 HydrophobicContact CG1-CE3 4Å; I53-W110 HydrophobicContact CG1-CH2 4.03Å; I53-W110 HydrophobicContact CG1-CZ2 4.44Å; I53-W110 HydrophobicContact CG1-CZ3 3.78Å; I53-W110 HydrophobicContact CG2-CD2 4.26Å; I53-W110 HydrophobicContact CG2-CH2 4.2Å; I53-W110 HydrophobicContact CG2-CZ2 3.79Å
54	A	96.1	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.5	-178.5	0	0	0	0	0	110.7	P33 F34 T42 Y44 V45 H61	P33-A54 HydrophobicContact CG-CB 3.85Å; F34-A54 HydrophobicContact CE1-CB 3.88Å; T42-A54 HydrophobicContact CG2-CB 4.47Å; Y44-A54 CarbonylContact O-C 3.59Å; Y44-A54 VanDerWaalsContact O-CA 3.24Å; Y44-A54 WeakPolarHBondContact O-CA 3.48Å; V45-A54 HydrophobicContact CG1-CB 4.44Å; V45-A54 HydrophobicContact CG2-CB 4.14Å; A54-H61 PolarHBondContact N-O 3.12Å; A54-H61 PolarHBondContact O-N 3.28Å
55	M	96.8	Very high	93.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.5	-178.7	-175.4	170.3	81.6	0	0	109.8	E43 Y44 L73 W110 R113 L114 V117	E43-M55 PolarHBondContact N-O 3.17Å; Y44-M55 HydrophobicContact CD2-CE 3.65Å; Y44-M55 HydrophobicContact CE2-CE 3.98Å; Y44-M55 PolarHBondContact N-O 3.23Å; Y44-M55 VanDerWaalsContact N-O 3.13Å; Y44-M55 PolarHBondContact O-N 3.29Å; M55-L73 HydrophobicContact CG-CD1 4.43Å; M55-L73 HydrophobicContact CG-CD2 4.08Å; M55-L73 HydrophobicContact SD-CD2 4.08Å; M55-W110 HydrophobicContact CB-CH2 4.37Å; M55-W110 HydrophobicContact CB-CZ3 3.99Å; M55-R113 HydrophobicContact CE-CB 4.07Å; M55-L114 HydrophobicContact SD-CD2 3.67Å; M55-L114 HydrophobicContact SD-CG 4.26Å; M55-V117 HydrophobicContact CE-CG1 4.07Å; M55-V117 HydrophobicContact CE-CG2 4.19Å; M55-V117 HydrophobicContact SD-CG2 3.74Å
56	S	96.4	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	174.8	168.2	67	0	0	0	0	111.3	E40 F41 Y58 R59 L73	E40-S56 VanDerWaalsContact OE1-CB 3.27Å; E40-S56 WeakPolarHBondContact OE1-CB 3.41Å; E40-S56 PolarHBondContact OE1-OG 2.73Å; F41-S56 WeakPolarHBondContact O-CA 3.37Å; F41-S56 VanDerWaalsContact O-CB 3.22Å; F41-S56 WeakPolarHBondContact O-CB 3.21Å; S56-Y58 PolarHBondContact O-N 3.01Å; S56-Y58 VanDerWaalsContact O-N 3.1Å; S56-Y58 PolarHBondContact OG-N 3.4Å; S56-Y58 VanDerWaalsContact OG-N 3.16Å; S56-R59 PolarHBondContact N-O 3.38Å; S56-R59 WeakPolarHBondContact OG-CG 3.37Å; S56-R59 PolarHBondContact OG-N 2.96Å; S56-R59 PolarHBondContact OG-O 2.86Å; S56-L73 VanDerWaalsContact O-CD1 3.29Å; S56-L73 WeakPolarHBondContact O-CD1 3.49Å
57	N	94.9	Very high	92.2	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	22%	0.221	C	C	.	.	S	Bend	trans	-63.8	-0.8	166.6	65.8	-29.5	0	0	0	114.5	G39 E40 F41	G39-N57 PolarHBondContact O-ND2 3.36Å; E40-N57 VanDerWaalsContact CA-OD1 3.25Å; E40-N57 WeakPolarHBondContact CA-OD1 3.3Å; F41-N57 WeakPolarHBondContact CD1-ND2 3.34Å; F41-N57 HydrophobicContact CE1-CB 4.15Å; F41-N57 VanDerWaalsContact CE1-ND2 3.29Å; F41-N57 WeakPolarHBondContact CE1-ND2 3.35Å; F41-N57 HydrophobicContact CZ-CB 4.15Å; F41-N57 PolarHBondContact N-OD1 2.85Å; F41-N57 PolarHBondContact O-N 2.96Å; F41-N57 VanDerWaalsContact O-N 3.12Å; F41-N57 PolarHBondContact O-OD1 3.46Å
58	Y	95.9	Very high	92	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	22%	0.22	C	C	.	.	S	Bend	trans	-118.2	-45.5	176.8	172.7	-133	0	0	0	113.5	L37 S56 P72 L73 F128 L507 D1033 L1035	L37-Y58 HydrophobicContact CD1-CD1 3.81Å; L37-Y58 HydrophobicContact CD1-CE1 3.66Å; S56-Y58 PolarHBondContact O-N 3.01Å; S56-Y58 VanDerWaalsContact O-N 3.1Å; S56-Y58 PolarHBondContact OG-N 3.4Å; S56-Y58 VanDerWaalsContact OG-N 3.16Å; Y58-P72 HydrophobicContact CE2-CB 4.11Å; Y58-P72 HydrophobicContact CE2-CG 4.4Å; Y58-P72 CarbonylContact O-C 3.21Å; Y58-P72 WeakPolarHBondContact O-CA 3.48Å; Y58-L73 PolarHBondContact O-N 3.18Å; Y58-F128 HydrophobicContact CD1-CD1 4.36Å; Y58-F128 HydrophobicContact CD1-CE1 4.18Å; Y58-F128 HydrophobicContact CD2-CB 4.12Å; Y58-F128 AromaticContact CD2-CD1 3.36Å; Y58-F128 HydrophobicContact CD2-CD1 3.36Å; Y58-F128 AromaticContact CD2-CE1 4Å; Y58-F128 HydrophobicContact CD2-CE1 4Å; Y58-F128 AromaticContact CD2-CG 3.83Å; Y58-F128 HydrophobicContact CD2-CG 3.83Å; Y58-F128 HydrophobicContact CE2-CD1 4.06Å; Y58-F128 AromaticContact CG-CD1 3.55Å; Y58-F128 HydrophobicContact CG-CD1 3.55Å; Y58-F128 AromaticContact CG-CE1 3.75Å; Y58-F128 HydrophobicContact CG-CE1 3.75Å; Y58-F128 HydrophobicContact CG-CG 4.02Å; Y58-F128 HydrophobicContact CG-CZ 4.39Å; Y58-L507 HydrophobicContact CE2-CB 3.9Å; Y58-L507 HydrophobicContact CE2-CD1 4.4Å; Y58-D1033 PolarHBondContact OH-O 3.47Å; Y58-L1035 HydrophobicContact CE1-CD2 4.46Å
59	R	95.6	Very high	91.9	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.6	-166.9	54.6	-179.1	160	156.8	-0.7	113.7	F34 P35 E40 S56 V71 G1034	F34-R59 VanDerWaalsContact CD2-NH2 3.29Å; P35-R59 PolarHBondContact O-NH2 3.42Å; E40-R59 WeakPolarHBondContact OE1-CG 3.47Å; E40-R59 IonicContact OE1-CZ 3.89Å; E40-R59 IonicContact OE1-NE 3.52Å; E40-R59 PolarHBondContact OE1-NE 3.43Å; E40-R59 IonicContact OE1-NH2 2.77Å; E40-R59 PolarHBondContact OE1-NH2 3.42Å; E40-R59 IonicContact OE2-CZ 3.53Å; E40-R59 IonicContact OE2-NE 3.12Å; E40-R59 PolarHBondContact OE2-NE 2.84Å; E40-R59 IonicContact OE2-NH2 3.48Å; E40-R59 PolarHBondContact OE2-NH2 2.64Å; S56-R59 PolarHBondContact N-O 3.38Å; S56-R59 WeakPolarHBondContact OG-CG 3.37Å; S56-R59 PolarHBondContact OG-N 2.96Å; S56-R59 PolarHBondContact OG-O 2.86Å; R59-V71 CarbonylContact C-O 3.56Å; R59-V71 VanDerWaalsContact CA-O 3.28Å; R59-V71 WeakPolarHBondContact CA-O 3.38Å; R59-V71 WeakPolarHBondContact CB-O 3.38Å; R59-G1034 PolarHBondContact NH1-O 2.92Å
60	L	96.1	Very high	92	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.5	159.2	177.9	62	0	0	0	108.9	I53 I62 N70 V71 L73 V89 W110 L114	I53-L60 HydrophobicContact CD1-CD1 4.04Å; I53-L60 HydrophobicContact CG1-CD1 3.82Å; L60-I62 HydrophobicContact CD1-CG1 4.36Å; L60-I62 HydrophobicContact CD2-CD1 3.98Å; L60-I62 HydrophobicContact CG-CD1 4.08Å; L60-I62 HydrophobicContact CG-CG1 4.21Å; L60-N70 WeakPolarHBondContact O-CA 3.44Å; L60-V71 PolarHBondContact N-O 2.93Å; L60-V71 PolarHBondContact O-N 3.13Å; L60-L73 HydrophobicContact CB-CD2 4.27Å; L60-V89 HydrophobicContact CD2-CG1 4.3Å; L60-V89 HydrophobicContact CD2-CG2 4.03Å; L60-W110 HydrophobicContact CD1-CZ3 4.4Å; L60-L114 HydrophobicContact CD1-CD2 4.35Å; L60-L114 HydrophobicContact CD2-CD1 4.21Å; L60-L114 HydrophobicContact CD2-CD2 4.04Å
61	H	94.9	Very high	92.3	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.7	175.1	-179.2	102.3	0	0	0	109.9	F34 A54 V68 V69 N70	F34-H61 HydrophobicContact CD1-CB 3.53Å; F34-H61 AromaticContact CD1-CD2 3.71Å; F34-H61 AromaticContact CD1-CG 3.35Å; F34-H61 AromaticContact CD1-ND1 3.59Å; F34-H61 HydrophobicContact CE1-CB 3.52Å; F34-H61 AromaticContact CE1-CG 3.9Å; F34-H61 AromaticContact CG-ND1 3.96Å; F34-H61 HydrophobicContact CZ-CB 4.49Å; A54-H61 PolarHBondContact N-O 3.12Å; A54-H61 PolarHBondContact O-N 3.28Å; H61-V68 WeakPolarHBondContact CE1-CG1 3.42Å; H61-V69 WeakPolarHBondContact CA-O 3.43Å; H61-N70 PolarHBondContact ND1-OD1 3.37Å
62	I	93.4	Very high	92.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.1	177.4	-57.5	147.7	0	0	0	108.4	A51 I52 I53 L60 F64 V68 V69 V97 C99	A51-I62 HydrophobicContact CB-CG2 3.81Å; I52-I62 WeakPolarHBondContact O-CA 3.24Å; I53-I62 HydrophobicContact CD1-CG1 4.31Å; I53-I62 HydrophobicContact CG1-CG1 4.02Å; L60-I62 HydrophobicContact CD1-CG1 4.36Å; L60-I62 HydrophobicContact CD2-CD1 3.98Å; L60-I62 HydrophobicContact CG-CD1 4.08Å; L60-I62 HydrophobicContact CG-CG1 4.21Å; I62-F64 HydrophobicContact CB-CE2 4.24Å; I62-F64 HydrophobicContact CG2-CD2 3.98Å; I62-F64 HydrophobicContact CG2-CE1 4.31Å; I62-F64 HydrophobicContact CG2-CE2 3.43Å; I62-F64 VanDerWaalsContact CG2-CE2 3.43Å; I62-F64 HydrophobicContact CG2-CZ 3.62Å; I62-V68 WeakPolarHBondContact O-CA 3.22Å; I62-V69 HydrophobicContact CB-CB 4.44Å; I62-V69 PolarHBondContact N-O 3.34Å; I62-V69 PolarHBondContact O-N 3.39Å; I62-V97 HydrophobicContact CD1-CG1 3.66Å; I62-C99 VanDerWaalsContact CD1-SG 3.53Å
63	K	91.7	Very high	92.5	Very high	82 Å²	82	35.5 Å²	35.5	36%	0.357	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	99.2	-178.1	179	174.8	-178.1	176.5	0	109.6	P33 A51 I52 V68	P33-K63 HydrophobicContact CB-CD 4.05Å; A51-K63 CarbonylContact C-O 3.55Å; A51-K63 VanDerWaalsContact CA-O 3.22Å; A51-K63 WeakPolarHBondContact CA-O 3.31Å; A51-K63 WeakPolarHBondContact CB-O 3.48Å; I52-K63 HydrophobicContact CB-CB 4.44Å; I52-K63 PolarHBondContact N-O 3.23Å; I52-K63 PolarHBondContact O-N 3.07Å; K63-V68 HydrophobicContact CG-CG2 4.31Å
64	F	88.8	Confident	92.5	Very high	60 Å²	60	36.6 Å²	36.6	26%	0.263	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	178.5	169.7	-59.3	-89.2	0	0	0	110.3	A51 I62 E66 S67 V69	A51-F64 HydrophobicContact CB-CD1 3.69Å; A51-F64 HydrophobicContact CB-CE1 3.96Å; A51-F64 HydrophobicContact CB-CG 4.07Å; I62-F64 HydrophobicContact CB-CE2 4.24Å; I62-F64 HydrophobicContact CG2-CD2 3.98Å; I62-F64 HydrophobicContact CG2-CE1 4.31Å; I62-F64 HydrophobicContact CG2-CE2 3.43Å; I62-F64 VanDerWaalsContact CG2-CE2 3.43Å; I62-F64 HydrophobicContact CG2-CZ 3.62Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.17Å; F64-S67 WeakPolarHBondContact CB-O 3.37Å; F64-S67 PolarHBondContact N-O 3.09Å; F64-V69 HydrophobicContact CD2-CG2 4.47Å; F64-V69 HydrophobicContact CE2-CG2 4.01Å
65	K	85.1	Confident	92.5	Very high	169 Å²	169	37 Å²	37	74%	0.735	18%	0.183	S	C	*	.	S	Bend	trans	-60.1	-37.7	177.1	-70.4	167	176.3	165.1	0	113.8	D50	D50-K65 WeakPolarHBondContact OD1-CE 3.46Å; D50-K65 IonicContact OD1-NZ 2.58Å; D50-K65 PolarHBondContact OD1-NZ 2.92Å
66	E	81.8	Confident	92.4	Very high	197 Å²	197	37 Å²	37	92%	0.921	18%	0.183	S	C	*	.	S	Bend	trans	-124.6	-6.1	-172.6	-62.8	-178	175.8	0	0	113.8	F64	F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.17Å
67	S	84.7	Confident	92.2	Very high	58 Å²	58	39.8 Å²	39.8	41%	0.406	20%	0.196	S	C	.	.			trans	-143	156.5	-175.5	65.2	0	0	0	0	112.6	F64	F64-S67 WeakPolarHBondContact CB-O 3.37Å; F64-S67 PolarHBondContact N-O 3.09Å
68	V	87.6	Confident	92.1	Very high	48 Å²	48	39.6 Å²	39.6	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.3	179.3	-176.9	0	0	0	0	108.9	H61 I62 K63	H61-V68 WeakPolarHBondContact CE1-CG1 3.42Å; I62-V68 WeakPolarHBondContact O-CA 3.22Å; K63-V68 HydrophobicContact CG-CG2 4.31Å
69	V	89.5	Confident	92.1	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.236	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132	178.4	-175.1	0	0	0	0	108.7	H61 I62 F64 V71 V97	H61-V69 WeakPolarHBondContact CA-O 3.43Å; I62-V69 HydrophobicContact CB-CB 4.44Å; I62-V69 PolarHBondContact N-O 3.34Å; I62-V69 PolarHBondContact O-N 3.39Å; F64-V69 HydrophobicContact CD2-CG2 4.47Å; F64-V69 HydrophobicContact CE2-CG2 4.01Å; V69-V71 HydrophobicContact CG1-CG2 3.93Å; V69-V97 HydrophobicContact CG1-CG1 4.14Å; V69-V97 HydrophobicContact CG1-CG2 3.83Å
70	N	91.8	Very high	92	Very high	16 Å²	16	43.1 Å²	43.1	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.6	175	-60.6	-96.5	0	0	0	107.8	L60 H61 L1030	L60-N70 WeakPolarHBondContact O-CA 3.44Å; H61-N70 PolarHBondContact ND1-OD1 3.37Å; N70-L1030 VanDerWaalsContact ND2-CD2 3.29Å; N70-L1030 WeakPolarHBondContact ND2-CD2 3.29Å
71	V	94.7	Very high	91.7	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	113.7	-179.9	-173.2	0	0	0	0	107.9	R59 L60 V69 L73 L75 V76 V97	R59-V71 CarbonylContact C-O 3.56Å; R59-V71 VanDerWaalsContact CA-O 3.28Å; R59-V71 WeakPolarHBondContact CA-O 3.38Å; R59-V71 WeakPolarHBondContact CB-O 3.38Å; L60-V71 PolarHBondContact N-O 2.93Å; L60-V71 PolarHBondContact O-N 3.13Å; V69-V71 HydrophobicContact CG1-CG2 3.93Å; V71-L73 PolarHBondContact O-N 2.95Å; V71-L75 HydrophobicContact CG1-CB 4.25Å; V71-L75 HydrophobicContact CG1-CD2 4.22Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; V71-V76 HydrophobicContact CG1-CG2 3.8Å; V71-V97 HydrophobicContact CG2-CG2 4.09Å
72	P	96	Very high	91	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	138.3	168.2	-25.6	34.4	0	0	0	110.4	Y58 Q74 L75 L1035	Y58-P72 HydrophobicContact CE2-CB 4.11Å; Y58-P72 HydrophobicContact CE2-CG 4.4Å; Y58-P72 CarbonylContact O-C 3.21Å; Y58-P72 WeakPolarHBondContact O-CA 3.48Å; P72-Q74 PolarHBondContact O-N 3.49Å; P72-L75 HydrophobicContact CB-CB 4.07Å; P72-L75 HydrophobicContact CG-CB 4.34Å; P72-L75 WeakPolarHBondContact O-CA 3.49Å; P72-L75 VanDerWaalsContact O-CB 3.3Å; P72-L75 WeakPolarHBondContact O-CB 3.4Å; P72-L75 PolarHBondContact O-N 3.32Å; P72-L1035 HydrophobicContact CG-CD1 4.44Å; P72-L1035 HydrophobicContact CG-CD2 3.83Å
73	L	95.9	Very high	90.3	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.1	-37.3	-176	-66.1	178.2	0	0	0	111.9	M55 S56 Y58 L60 V71 L75 V76 L114 V117	M55-L73 HydrophobicContact CG-CD1 4.43Å; M55-L73 HydrophobicContact CG-CD2 4.08Å; M55-L73 HydrophobicContact SD-CD2 4.08Å; S56-L73 VanDerWaalsContact O-CD1 3.29Å; S56-L73 WeakPolarHBondContact O-CD1 3.49Å; Y58-L73 PolarHBondContact O-N 3.18Å; L60-L73 HydrophobicContact CB-CD2 4.27Å; V71-L73 PolarHBondContact O-N 2.95Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 2.96Å; L73-V76 WeakPolarHBondContact O-CB 3.31Å; L73-V76 PolarHBondContact O-N 3.31Å; L73-V76 VanDerWaalsContact O-N 3.15Å; L73-L114 HydrophobicContact CD2-CD2 4.28Å; L73-V117 HydrophobicContact CD1-CB 4.05Å; L73-V117 HydrophobicContact CD1-CG2 3.77Å; L73-V117 HydrophobicContact CD2-CG2 3.89Å; L73-V117 HydrophobicContact CG-CG2 4.3Å
74	Q	94.9	Very high	90	Very high	25 Å²	25	58.1 Å²	58.1	12%	0.117	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-76.4	-6.9	177	-63.7	-61.4	-28.3	0	0	114.3	P72 K92 L127 Y504 C506	P72-Q74 PolarHBondContact O-N 3.49Å; Q74-K92 WeakPolarHBondContact O-CE 3.29Å; Q74-K92 PolarHBondContact O-NZ 2.68Å; Q74-L127 HydrophobicContact CG-CD2 4Å; Q74-Y504 CarbonylContact C-O 3.6Å; Q74-Y504 VanDerWaalsContact CB-O 3.27Å; Q74-Y504 WeakPolarHBondContact CB-O 3.36Å; Q74-C506 HydrophobicContact CB-CB 4.17Å; Q74-C506 HydrophobicContact CG-CB 4.08Å
75	L	95.3	Very high	90.1	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-81.6	-17	167.1	179.3	62.9	0	0	0	112.3	V71 P72 L73 C91 K92 D93 Y504	V71-L75 HydrophobicContact CG1-CB 4.25Å; V71-L75 HydrophobicContact CG1-CD2 4.22Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; P72-L75 HydrophobicContact CB-CB 4.07Å; P72-L75 HydrophobicContact CG-CB 4.34Å; P72-L75 WeakPolarHBondContact O-CA 3.49Å; P72-L75 VanDerWaalsContact O-CB 3.3Å; P72-L75 WeakPolarHBondContact O-CB 3.4Å; P72-L75 PolarHBondContact O-N 3.32Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 2.96Å; L75-C91 HydrophobicContact CG-CB 4.28Å; L75-C91 CarbonylContact O-C 3.59Å; L75-C91 WeakPolarHBondContact O-CA 3.26Å; L75-K92 HydrophobicContact CD1-CB 4.15Å; L75-K92 WeakPolarHBondContact O-CG 3.27Å; L75-K92 PolarHBondContact O-N 3.11Å; L75-D93 HydrophobicContact CD1-CB 3.93Å; L75-Y504 HydrophobicContact CD1-CD2 3.71Å; L75-Y504 HydrophobicContact CD1-CG 3.87Å
76	V	95.4	Very high	90.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.9	177.3	-172.5	0	0	0	0	110.4	V71 L73 V79 V89 T90 K92 V118	V71-V76 HydrophobicContact CG1-CG2 3.8Å; L73-V76 WeakPolarHBondContact O-CB 3.31Å; L73-V76 PolarHBondContact O-N 3.31Å; L73-V76 VanDerWaalsContact O-N 3.15Å; V76-V79 HydrophobicContact CG1-CG2 3.63Å; V76-V89 HydrophobicContact CB-CG1 4.48Å; V76-V89 HydrophobicContact CG1-CG1 3.77Å; V76-V89 HydrophobicContact CG2-CG1 3.85Å; V76-T90 WeakPolarHBondContact CG1-O 3.45Å; V76-K92 WeakPolarHBondContact O-CE 3.48Å; V76-V118 HydrophobicContact CB-CG1 3.9Å; V76-V118 HydrophobicContact CB-CG2 3.76Å; V76-V118 HydrophobicContact CG1-CG1 3.84Å; V76-V118 HydrophobicContact CG1-CG2 3.87Å; V76-V118 HydrophobicContact CG2-CG2 4.26Å
77	E	92.8	Very high	91	Very high	59 Å²	59	43.9 Å²	43.9	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-45	176.7	-171.9	-178.9	132.7	0	0	111.8	T90 K92 R358	E77-T90 PolarHBondContact N-O 2.86Å; E77-K92 HydrophobicContact CB-CG 3.93Å; E77-K92 HydrophobicContact CG-CG 4.48Å; E77-R358 VanDerWaalsContact CD-NH1 3.27Å; E77-R358 IonicContact OE1-CZ 3.23Å; E77-R358 IonicContact OE1-NH1 3.37Å; E77-R358 PolarHBondContact OE1-NH1 3.09Å; E77-R358 IonicContact OE1-NH2 2.78Å; E77-R358 PolarHBondContact OE1-NH2 2.74Å; E77-R358 IonicContact OE2-CZ 2.8Å; E77-R358 VanDerWaalsContact OE2-CZ 3.23Å; E77-R358 IonicContact OE2-NH1 3.19Å; E77-R358 PolarHBondContact OE2-NH1 3.31Å; E77-R358 IonicContact OE2-NH2 2.67Å; E77-R358 PolarHBondContact OE2-NH2 3.41Å
78	C	92.7	Very high	91.4	Very high	38 Å²	38	42 Å²	42	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.2	173.1	68	0	0	0	0	111.5	T90	C78-T90 PolarHBondContact N-O 2.94Å; C78-T90 PolarHBondContact O-N 3.02Å
79	V	95.1	Very high	91.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.1	171.5	-171.5	0	0	0	0	110.2	V76 L87 H88 V89 L111 L114 N115	V76-V79 HydrophobicContact CG1-CG2 3.63Å; V79-L87 HydrophobicContact CG1-CD1 3.61Å; V79-L87 HydrophobicContact CG1-CD2 4.26Å; V79-L87 HydrophobicContact CG1-CG 3.88Å; V79-H88 WeakPolarHBondContact CA-O 2.99Å; V79-V89 HydrophobicContact CG1-CG2 3.96Å; V79-V89 HydrophobicContact CG2-CG1 4.25Å; V79-V89 HydrophobicContact CG2-CG2 4.18Å; V79-L111 HydrophobicContact CB-CD1 4.31Å; V79-L111 HydrophobicContact CG1-CD1 3.86Å; V79-L111 VanDerWaalsContact O-CD1 3.27Å; V79-L111 WeakPolarHBondContact O-CD1 3.4Å; V79-L114 HydrophobicContact CB-CB 4.39Å; V79-L114 HydrophobicContact CG1-CB 4.33Å; V79-L114 HydrophobicContact CG1-CD1 4.21Å; V79-L114 HydrophobicContact CG2-CB 4Å; V79-N115 PolarHBondContact O-ND2 2.84Å
80	E	93.3	Very high	92	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158.5	-175.9	-63.9	177.6	-177.8	0	0	111.1	R82 L87 H88	E80-R82 IonicContact OE1-NH2 2.68Å; E80-R82 IonicContact OE2-CZ 3.4Å; E80-R82 IonicContact OE2-NE 3.76Å; E80-R82 PolarHBondContact OE2-NE 2.84Å; E80-R82 IonicContact OE2-NH2 3.16Å; E80-R82 PolarHBondContact OE2-NH2 2.88Å; E80-L87 WeakPolarHBondContact O-CA 3.2Å; E80-H88 PolarHBondContact N-O 3.44Å; E80-H88 PolarHBondContact O-N 3.44Å
81	C	90.2	Very high	92.2	Very high	36 Å²	36	37.9 Å²	37.9	24%	0.243	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.8	164.2	177.3	0	0	0	0	107.9	M84 Q86 C107 L111	C81-M84 VanDerWaalsContact SG-CA 3.55Å; C81-M84 PolarHBondContact SG-O 2.7Å; C81-Q86 WeakPolarHBondContact CA-O 3.4Å; C81-C107 VanDerWaalsContact SG-SG 3.65Å; C81-L111 HydrophobicContact CB-CD2 3.97Å
82	R	80.9	Confident	92.2	Very high	163 Å²	163	38.4 Å²	38.4	62%	0.615	19%	0.186	S	C	*	.	S	Bend	trans	-110.5	-43.2	-174.3	-67.9	-163.9	167.6	-139.7	-2.5	114.1	E80 Q86	E80-R82 IonicContact OE1-NH2 2.68Å; E80-R82 IonicContact OE2-CZ 3.4Å; E80-R82 IonicContact OE2-NE 3.76Å; E80-R82 PolarHBondContact OE2-NE 2.84Å; E80-R82 IonicContact OE2-NH2 3.16Å; E80-R82 PolarHBondContact OE2-NH2 2.88Å; R82-Q86 PolarHBondContact N-O 2.73Å; R82-Q86 VanDerWaalsContact N-O 3.1Å
83	D	78.8	Confident	92	Very high	103 Å²	103	38.5 Å²	38.5	55%	0.551	19%	0.186	S	C	*	.	S	Bend	trans	-112.4	32.7	-175.8	-59.3	-64.5	0	0	0	113	F85 Q86	D83-F85 WeakPolarHBondContact O-CD2 3.37Å; D83-F85 PolarHBondContact O-N 3.29Å; D83-Q86 HydrophobicContact CB-CB 4.13Å
84	M	84.6	Confident	91.8	Very high	100 Å²	100	37.9 Å²	37.9	49%	0.493	18%	0.183	S	C	.	.	S	Bend	trans	61.1	-40.8	-169.9	-68.1	-174.3	70.6	0	0	115.8	C81 F104 C107	C81-M84 VanDerWaalsContact SG-CA 3.55Å; C81-M84 PolarHBondContact SG-O 2.7Å; M84-F104 HydrophobicContact CB-CD2 3.81Å; M84-F104 HydrophobicContact CB-CE2 4.31Å; M84-F104 HydrophobicContact CE-CB 4.43Å; M84-F104 HydrophobicContact CE-CD1 4.31Å; M84-F104 HydrophobicContact CE-CD2 3.53Å; M84-F104 HydrophobicContact CE-CE1 4.47Å; M84-F104 HydrophobicContact CE-CE2 3.72Å; M84-F104 HydrophobicContact CE-CG 3.84Å; M84-F104 HydrophobicContact CE-CZ 4.19Å; M84-F104 HydrophobicContact CG-CD2 4.21Å; M84-F104 HydrophobicContact CG-CE2 4.28Å; M84-F104 WeakPolarHBondContact O-CD2 3.24Å; M84-C107 WeakPolarHBondContact O-CB 3.49Å
85	F	91.1	Very high	91.6	Very high	82 Å²	82	38.9 Å²	38.9	36%	0.36	19%	0.187	S	C	.	.	S	Bend	trans	-103.5	-6.3	-177.7	-55.4	-83.1	0	0	0	112.7	D83 F101 F104	D83-F85 WeakPolarHBondContact O-CD2 3.37Å; D83-F85 PolarHBondContact O-N 3.29Å; F85-F101 PolarHBondContact O-N 3.3Å; F85-F104 HydrophobicContact CE1-CB 4.12Å
86	Q	92.3	Very high	91.4	Very high	44 Å²	44	40 Å²	40	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	-175.3	-163.3	171.6	109.5	0	0	112.3	C81 R82 D83 H88 C99	C81-Q86 WeakPolarHBondContact CA-O 3.4Å; R82-Q86 PolarHBondContact N-O 2.73Å; R82-Q86 VanDerWaalsContact N-O 3.1Å; D83-Q86 HydrophobicContact CB-CB 4.13Å; Q86-H88 PolarHBondContact OE1-NE2 3.4Å; Q86-C99 WeakPolarHBondContact CA-O 3.18Å
87	L	93.9	Very high	91.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.8	175.7	-168.6	77.9	0	0	0	110.1	V79 E80 V89 R98 C99 F101 W110 L111 L114	V79-L87 HydrophobicContact CG1-CD1 3.61Å; V79-L87 HydrophobicContact CG1-CD2 4.26Å; V79-L87 HydrophobicContact CG1-CG 3.88Å; E80-L87 WeakPolarHBondContact O-CA 3.2Å; L87-V89 HydrophobicContact CD2-CG2 4.2Å; L87-V89 HydrophobicContact CG-CG2 4.46Å; L87-R98 WeakPolarHBondContact O-CA 3.47Å; L87-C99 HydrophobicContact CB-CB 4.38Å; L87-C99 PolarHBondContact N-O 3.02Å; L87-C99 PolarHBondContact O-N 3.17Å; L87-F101 HydrophobicContact CB-CD2 4.33Å; L87-F101 HydrophobicContact CB-CE2 3.82Å; L87-F101 HydrophobicContact CD2-CE2 3.97Å; L87-F101 HydrophobicContact CD2-CZ 4.43Å; L87-F101 HydrophobicContact CG-CE2 4.49Å; L87-W110 HydrophobicContact CD2-CB 4.48Å; L87-L111 HydrophobicContact CD1-CB 3.76Å; L87-L111 HydrophobicContact CD1-CD1 3.82Å; L87-L111 HydrophobicContact CD1-CG 4.4Å; L87-L114 HydrophobicContact CD2-CD1 3.8Å
88	H	93.6	Very high	91.1	Very high	19 Å²	19	43.6 Å²	43.6	9%	0.088	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.7	175.1	-71.2	-126.8	0	0	0	108.7	V79 E80 Q86 V96 R98	V79-H88 WeakPolarHBondContact CA-O 2.99Å; E80-H88 PolarHBondContact N-O 3.44Å; E80-H88 PolarHBondContact O-N 3.44Å; Q86-H88 PolarHBondContact OE1-NE2 3.4Å; H88-V96 HydrophobicContact CB-CG1 4.5Å; H88-R98 PolarHBondContact CE1-NE 2.94Å; H88-R98 VanDerWaalsContact CE1-NE 3.31Å
89	V	94.9	Very high	91	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.4	175.4	178.5	0	0	0	0	107.9	L60 V76 V79 L87 V96 V97 L114	L60-V89 HydrophobicContact CD2-CG1 4.3Å; L60-V89 HydrophobicContact CD2-CG2 4.03Å; V76-V89 HydrophobicContact CB-CG1 4.48Å; V76-V89 HydrophobicContact CG1-CG1 3.77Å; V76-V89 HydrophobicContact CG2-CG1 3.85Å; V79-V89 HydrophobicContact CG1-CG2 3.96Å; V79-V89 HydrophobicContact CG2-CG1 4.25Å; V79-V89 HydrophobicContact CG2-CG2 4.18Å; L87-V89 HydrophobicContact CD2-CG2 4.2Å; L87-V89 HydrophobicContact CG-CG2 4.46Å; V89-V96 WeakPolarHBondContact O-CA 3.35Å; V89-V97 HydrophobicContact CB-CB 4.34Å; V89-V97 PolarHBondContact N-O 2.86Å; V89-V97 PolarHBondContact O-N 3.42Å; V89-L114 HydrophobicContact CG2-CD1 4.26Å
90	T	94.4	Very high	90.9	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	-176.4	-62	0	0	0	0	110.3	V76 E77 C78 V96 R358	V76-T90 WeakPolarHBondContact CG1-O 3.45Å; E77-T90 PolarHBondContact N-O 2.86Å; C78-T90 PolarHBondContact N-O 2.94Å; C78-T90 PolarHBondContact O-N 3.02Å; T90-V96 HydrophobicContact CG2-CG2 4.1Å; T90-R358 VanDerWaalsContact CG2-CD 3.48Å; T90-R358 VanDerWaalsContact CG2-NH1 3.3Å
91	C	94.9	Very high	91	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.7	-171.1	-55.6	0	0	0	0	112.4	L75 D93 C94 K95	L75-C91 HydrophobicContact CG-CB 4.28Å; L75-C91 CarbonylContact O-C 3.59Å; L75-C91 WeakPolarHBondContact O-CA 3.26Å; C91-D93 WeakPolarHBondContact CB-OD1 3.46Å; C91-D93 PolarHBondContact O-N 2.82Å; C91-C94 PolarHBondContact O-N 3.1Å; C91-K95 HydrophobicContact CB-CB 4.23Å; C91-K95 VanDerWaalsContact CB-O 3.31Å; C91-K95 WeakPolarHBondContact CB-O 2.79Å; C91-K95 PolarHBondContact N-O 2.95Å
92	K	94.4	Very high	91.1	Very high	18 Å²	18	43.1 Å²	43.1	8%	0.078	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.2	-179.8	-60.4	170	-174	173.6	0	112.9	Q74 L75 V76 E77 C94 F354 C455 Y504	Q74-K92 WeakPolarHBondContact O-CE 3.29Å; Q74-K92 PolarHBondContact O-NZ 2.68Å; L75-K92 HydrophobicContact CD1-CB 4.15Å; L75-K92 WeakPolarHBondContact O-CG 3.27Å; L75-K92 PolarHBondContact O-N 3.11Å; V76-K92 WeakPolarHBondContact O-CE 3.48Å; E77-K92 HydrophobicContact CB-CG 3.93Å; E77-K92 HydrophobicContact CG-CG 4.48Å; K92-C94 VanDerWaalsContact C-N 3.33Å; K92-F354 VanDerWaalsContact O-CE1 3.32Å; K92-F354 WeakPolarHBondContact O-CE1 3.41Å; K92-F354 WeakPolarHBondContact O-CZ 3.48Å; K92-C455 WeakPolarHBondContact CE-O 3.3Å; K92-C455 PolarHBondContact NZ-O 2.8Å; K92-Y504 HydrophobicContact CB-CD1 3.95Å; K92-Y504 HydrophobicContact CB-CD2 4.34Å; K92-Y504 HydrophobicContact CB-CE1 4Å; K92-Y504 HydrophobicContact CB-CE2 4.38Å; K92-Y504 HydrophobicContact CB-CG 4.14Å; K92-Y504 HydrophobicContact CD-CD1 3.65Å; K92-Y504 HydrophobicContact CD-CE1 4.15Å; K92-Y504 HydrophobicContact CD-CG 4.28Å; K92-Y504 HydrophobicContact CG-CD1 4.42Å
93	D	92.6	Very high	91.6	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	22	174.9	73.4	-19.6	0	0	0	114	L75 C91 K95 V500 V570	L75-D93 HydrophobicContact CD1-CB 3.93Å; C91-D93 WeakPolarHBondContact CB-OD1 3.46Å; C91-D93 PolarHBondContact O-N 2.82Å; D93-K95 PolarHBondContact O-N 3.13Å; D93-K95 WeakPolarHBondContact OD1-CB 3.26Å; D93-K95 PolarHBondContact OD1-N 3.44Å; D93-K95 WeakPolarHBondContact OD2-CD 3.11Å; D93-K95 IonicContact OD2-NZ 3.48Å; D93-K95 PolarHBondContact OD2-NZ 3.45Å; D93-V500 HydrophobicContact CB-CG1 4.38Å; D93-V570 HydrophobicContact CB-CG1 4.33Å
94	C	92.2	Very high	92.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.179	C	C	.	.	S	Bend	trans	78.2	-15.4	-179.3	-155.7	0	0	0	0	115.1	C91 K92 F354 R358 Y571	C91-C94 PolarHBondContact O-N 3.1Å; K92-C94 VanDerWaalsContact C-N 3.33Å; C94-F354 HydrophobicContact CB-CE1 4.4Å; C94-F354 HydrophobicContact CB-CE2 4Å; C94-F354 HydrophobicContact CB-CZ 3.65Å; C94-R358 WeakPolarHBondContact SG-CA 3.39Å; C94-Y571 HydrophobicContact CB-CD1 3.51Å; C94-Y571 HydrophobicContact CB-CE1 4.35Å; C94-Y571 HydrophobicContact CB-CG 4.2Å
95	K	90.2	Very high	92.6	Very high	46 Å²	46	37.4 Å²	37.4	20%	0.2	18%	0.183	C	C	.	.			trans	-70.5	151.8	-179.4	-62.1	-176.5	-177.8	66.6	0	112.3	C91 D93 V570	C91-K95 HydrophobicContact CB-CB 4.23Å; C91-K95 VanDerWaalsContact CB-O 3.31Å; C91-K95 WeakPolarHBondContact CB-O 2.79Å; C91-K95 PolarHBondContact N-O 2.95Å; D93-K95 PolarHBondContact O-N 3.13Å; D93-K95 WeakPolarHBondContact OD1-CB 3.26Å; D93-K95 PolarHBondContact OD1-N 3.44Å; D93-K95 WeakPolarHBondContact OD2-CD 3.11Å; D93-K95 IonicContact OD2-NZ 3.48Å; D93-K95 PolarHBondContact OD2-NZ 3.45Å; K95-V570 WeakPolarHBondContact CE-O 3.07Å; K95-V570 PolarHBondContact NZ-O 3.4Å
96	V	91.5	Very high	92.7	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129	167.1	-178.2	0	0	0	0	109.3	H88 V89 T90 R358 T362	H88-V96 HydrophobicContact CB-CG1 4.5Å; V89-V96 WeakPolarHBondContact O-CA 3.35Å; T90-V96 HydrophobicContact CG2-CG2 4.1Å; V96-R358 HydrophobicContact CG2-CG 4.31Å; V96-T362 HydrophobicContact CB-CG2 3.73Å; V96-T362 HydrophobicContact CG2-CG2 3.38Å
97	V	90.8	Very high	92.8	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.121	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.6	177.8	-170	0	0	0	0	108.5	I62 V69 V71 V89	I62-V97 HydrophobicContact CD1-CG1 3.66Å; V69-V97 HydrophobicContact CG1-CG1 4.14Å; V69-V97 HydrophobicContact CG1-CG2 3.83Å; V71-V97 HydrophobicContact CG2-CG2 4.09Å; V89-V97 HydrophobicContact CB-CB 4.34Å; V89-V97 PolarHBondContact N-O 2.86Å; V89-V97 PolarHBondContact O-N 3.42Å
98	R	90.8	Very high	92.8	Very high	116 Å²	116	37.1 Å²	37.1	44%	0.438	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.1	179.5	-61.9	-179.5	-174.2	138.9	3	110	L87 H88 T362	L87-R98 WeakPolarHBondContact O-CA 3.47Å; H88-R98 PolarHBondContact CE1-NE 2.94Å; H88-R98 VanDerWaalsContact CE1-NE 3.31Å; R98-T362 PolarHBondContact NH2-O 2.7Å
99	C	91.7	Very high	92.8	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.2	176.2	-69.8	0	0	0	0	110.2	I62 Q86 L87 F101	I62-C99 VanDerWaalsContact CD1-SG 3.53Å; Q86-C99 WeakPolarHBondContact CA-O 3.18Å; L87-C99 HydrophobicContact CB-CB 4.38Å; L87-C99 PolarHBondContact N-O 3.02Å; L87-C99 PolarHBondContact O-N 3.17Å; C99-F101 HydrophobicContact CB-CE2 4.05Å
100	Q	92.9	Very high	92.9	Very high	65 Å²	65	39 Å²	39	30%	0.304	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.4	177.2	-165.9	71	22.8	0	0	109.5	A48 E49	A48-Q100 CarbonylContact C-O 3.59Å; A48-Q100 WeakPolarHBondContact CA-O 3Å; A48-Q100 VanDerWaalsContact CB-O 3.31Å; A48-Q100 WeakPolarHBondContact CB-O 3.29Å; E49-Q100 HydrophobicContact CB-CB 4.44Å; E49-Q100 HydrophobicContact CB-CG 4.49Å; E49-Q100 PolarHBondContact N-O 3.47Å; E49-Q100 WeakPolarHBondContact OE2-CG 3.4Å
101	F	94.1	Very high	92.9	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	19%	0.194	C	C	.	.			trans	-113.2	148.7	-179.6	-72.4	-88.4	0	0	0	111.8	A48 I53 F85 L87 C99 T103 Q106 C107 W110	A48-F101 HydrophobicContact CB-CD1 4.44Å; A48-F101 HydrophobicContact CB-CE1 4.34Å; I53-F101 HydrophobicContact CD1-CZ 3.99Å; I53-F101 HydrophobicContact CG2-CE1 4.25Å; I53-F101 HydrophobicContact CG2-CZ 4.48Å; F85-F101 PolarHBondContact O-N 3.3Å; L87-F101 HydrophobicContact CB-CD2 4.33Å; L87-F101 HydrophobicContact CB-CE2 3.82Å; L87-F101 HydrophobicContact CD2-CE2 3.97Å; L87-F101 HydrophobicContact CD2-CZ 4.43Å; L87-F101 HydrophobicContact CG-CE2 4.49Å; C99-F101 HydrophobicContact CB-CE2 4.05Å; F101-T103 VanDerWaalsContact C-N 3.28Å; F101-T103 PolarHBondContact O-N 3.46Å; F101-Q106 HydrophobicContact CB-CB 4.2Å; F101-Q106 HydrophobicContact CD1-CB 3.84Å; F101-Q106 HydrophobicContact CG-CB 4.32Å; F101-C107 HydrophobicContact CB-CB 4.03Å; F101-C107 HydrophobicContact CD2-CB 3.88Å; F101-C107 HydrophobicContact CG-CB 4.13Å; F101-W110 HydrophobicContact CE1-CB 4.22Å; F101-W110 AromaticContact CE1-CD1 3.44Å; F101-W110 VanDerWaalsContact CE1-CD1 3.44Å; F101-W110 AromaticContact CE1-CG 3.79Å; F101-W110 HydrophobicContact CE1-CG 3.79Å; F101-W110 HydrophobicContact CE2-CB 4.34Å; F101-W110 HydrophobicContact CZ-CB 3.69Å; F101-W110 AromaticContact CZ-CD1 3.8Å; F101-W110 HydrophobicContact CZ-CD2 4.37Å; F101-W110 AromaticContact CZ-CG 3.64Å; F101-W110 HydrophobicContact CZ-CG 3.64Å
102	S	91.9	Very high	92.9	Very high	74 Å²	74	46 Å²	46	52%	0.517	22%	0.222	S	C	.	.	S	Bend	trans	-69.6	-23.7	-178.8	-49.8	0	0	0	0	113.2
103	T	92.2	Very high	93	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-137.9	159.5	175.8	98.3	0	0	0	0	112.6	F101 E105 Q106 C107	F101-T103 VanDerWaalsContact C-N 3.28Å; F101-T103 PolarHBondContact O-N 3.46Å; T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 WeakPolarHBondContact CB-OE2 3.32Å; T103-E105 PolarHBondContact OG1-N 2.95Å; T103-E105 PolarHBondContact OG1-OE2 3.47Å; T103-Q106 HydrophobicContact CG2-CG 4.47Å; T103-Q106 PolarHBondContact OG1-N 3.01Å; T103-C107 PolarHBondContact O-N 3.37Å
104	F	92.1	Very high	93.1	Very high	72 Å²	72	46.1 Å²	46.1	32%	0.316	22%	0.222	S	C	.	.	H	α-helix	trans	-65.2	-39.8	176.7	171.2	-110.8	0	0	0	111.2	M84 F85 Q106 C107 Q108	M84-F104 HydrophobicContact CB-CD2 3.81Å; M84-F104 HydrophobicContact CB-CE2 4.31Å; M84-F104 HydrophobicContact CE-CB 4.43Å; M84-F104 HydrophobicContact CE-CD1 4.31Å; M84-F104 HydrophobicContact CE-CD2 3.53Å; M84-F104 HydrophobicContact CE-CE1 4.47Å; M84-F104 HydrophobicContact CE-CE2 3.72Å; M84-F104 HydrophobicContact CE-CG 3.84Å; M84-F104 HydrophobicContact CE-CZ 4.19Å; M84-F104 HydrophobicContact CG-CD2 4.21Å; M84-F104 HydrophobicContact CG-CE2 4.28Å; M84-F104 WeakPolarHBondContact O-CD2 3.24Å; F85-F104 HydrophobicContact CE1-CB 4.12Å; F104-Q106 PolarHBondContact O-N 3.35Å; F104-C107 PolarHBondContact O-N 3.06Å; F104-Q108 HydrophobicContact CD1-CG 4.2Å; F104-Q108 HydrophobicContact CD2-CG 3.93Å; F104-Q108 HydrophobicContact CE1-CG 3.81Å; F104-Q108 HydrophobicContact CE2-CG 3.53Å; F104-Q108 HydrophobicContact CG-CG 4.26Å; F104-Q108 HydrophobicContact CZ-CG 3.46Å; F104-Q108 VanDerWaalsContact CZ-CG 3.46Å; F104-Q108 WeakPolarHBondContact O-CG 3.3Å; F104-Q108 PolarHBondContact O-N 2.99Å
105	E	92.6	Very high	93.2	Very high	126 Å²	126	48.8 Å²	48.8	59%	0.589	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-43.1	-179.9	-56	71.7	-156.1	0	0	111.1	T103 Q108 E109	T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 WeakPolarHBondContact CB-OE2 3.32Å; T103-E105 PolarHBondContact OG1-N 2.95Å; T103-E105 PolarHBondContact OG1-OE2 3.47Å; E105-Q108 PolarHBondContact O-N 3.13Å; E105-E109 WeakPolarHBondContact O-CB 3.44Å; E105-E109 PolarHBondContact O-N 3.02Å
106	Q	92.6	Very high	93.3	Very high	50 Å²	50	49.8 Å²	49.8	23%	0.234	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-46.9	172.9	-67.7	-177.3	-52.7	0	0	111.4	F101 T103 F104 Q108 E109 W110	F101-Q106 HydrophobicContact CB-CB 4.2Å; F101-Q106 HydrophobicContact CD1-CB 3.84Å; F101-Q106 HydrophobicContact CG-CB 4.32Å; T103-Q106 HydrophobicContact CG2-CG 4.47Å; T103-Q106 PolarHBondContact OG1-N 3.01Å; F104-Q106 PolarHBondContact O-N 3.35Å; Q106-Q108 PolarHBondContact O-N 3.4Å; Q106-E109 PolarHBondContact O-N 3.23Å; Q106-W110 PolarHBondContact O-N 3.48Å
107	C	94.4	Very high	93.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.3	-168.1	0	0	0	0	112.4	C81 M84 F101 T103 F104 L111	C81-C107 VanDerWaalsContact SG-SG 3.65Å; M84-C107 WeakPolarHBondContact O-CB 3.49Å; F101-C107 HydrophobicContact CB-CB 4.03Å; F101-C107 HydrophobicContact CD2-CB 3.88Å; F101-C107 HydrophobicContact CG-CB 4.13Å; T103-C107 PolarHBondContact O-N 3.37Å; F104-C107 PolarHBondContact O-N 3.06Å; C107-L111 WeakPolarHBondContact O-CB 3.36Å; C107-L111 PolarHBondContact O-N 3.01Å
108	Q	94.4	Very high	93.1	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-71.2	-38.9	179	-71.3	-60	-55.5	0	0	112.7	F104 E105 Q106 L111 K112	F104-Q108 HydrophobicContact CD1-CG 4.2Å; F104-Q108 HydrophobicContact CD2-CG 3.93Å; F104-Q108 HydrophobicContact CE1-CG 3.81Å; F104-Q108 HydrophobicContact CE2-CG 3.53Å; F104-Q108 HydrophobicContact CG-CG 4.26Å; F104-Q108 HydrophobicContact CZ-CG 3.46Å; F104-Q108 VanDerWaalsContact CZ-CG 3.46Å; F104-Q108 WeakPolarHBondContact O-CG 3.3Å; F104-Q108 PolarHBondContact O-N 2.99Å; E105-Q108 PolarHBondContact O-N 3.13Å; Q106-Q108 PolarHBondContact O-N 3.4Å; Q108-L111 WeakPolarHBondContact O-CB 3.19Å; Q108-L111 PolarHBondContact O-N 3.46Å; Q108-K112 VanDerWaalsContact O-CB 3.26Å; Q108-K112 WeakPolarHBondContact O-CB 3.45Å; Q108-K112 PolarHBondContact O-N 2.96Å
109	E	94.3	Very high	92.9	Very high	60 Å²	60	52.3 Å²	52.3	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-39.1	176.9	173.2	61.6	-167.4	0	0	111.3	E105 Q106 K112 R113	E105-E109 WeakPolarHBondContact O-CB 3.44Å; E105-E109 PolarHBondContact O-N 3.02Å; Q106-E109 PolarHBondContact O-N 3.23Å; E109-K112 PolarHBondContact O-N 3.43Å; E109-K112 WeakPolarHBondContact OE2-CD 3.18Å; E109-K112 IonicContact OE2-NZ 2.73Å; E109-K112 PolarHBondContact OE2-NZ 3.21Å; E109-R113 VanDerWaalsContact O-CG 3.3Å; E109-R113 WeakPolarHBondContact O-CG 3.45Å; E109-R113 PolarHBondContact O-N 2.94Å; E109-R113 IonicContact OE1-CZ 3.58Å; E109-R113 IonicContact OE1-NE 2.8Å; E109-R113 PolarHBondContact OE1-NE 3.17Å; E109-R113 IonicContact OE1-NH2 3.57Å; E109-R113 PolarHBondContact OE1-NH2 3.31Å
110	W	95.3	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-38.8	171.3	-84.6	91.6	0	0	0	113.2	E26 I53 M55 L60 L87 F101 Q106 K112 R113 L114	E26-W110 PolarHBondContact OE1-NE1 3.09Å; I53-W110 HydrophobicContact CD1-CD2 3.99Å; I53-W110 HydrophobicContact CD1-CE3 3.66Å; I53-W110 HydrophobicContact CD1-CZ3 3.97Å; I53-W110 HydrophobicContact CG1-CD2 4.42Å; I53-W110 HydrophobicContact CG1-CE3 4Å; I53-W110 HydrophobicContact CG1-CH2 4.03Å; I53-W110 HydrophobicContact CG1-CZ2 4.44Å; I53-W110 HydrophobicContact CG1-CZ3 3.78Å; I53-W110 HydrophobicContact CG2-CD2 4.26Å; I53-W110 HydrophobicContact CG2-CH2 4.2Å; I53-W110 HydrophobicContact CG2-CZ2 3.79Å; M55-W110 HydrophobicContact CB-CH2 4.37Å; M55-W110 HydrophobicContact CB-CZ3 3.99Å; L60-W110 HydrophobicContact CD1-CZ3 4.4Å; L87-W110 HydrophobicContact CD2-CB 4.48Å; F101-W110 HydrophobicContact CE1-CB 4.22Å; F101-W110 AromaticContact CE1-CD1 3.44Å; F101-W110 VanDerWaalsContact CE1-CD1 3.44Å; F101-W110 AromaticContact CE1-CG 3.79Å; F101-W110 HydrophobicContact CE1-CG 3.79Å; F101-W110 HydrophobicContact CE2-CB 4.34Å; F101-W110 HydrophobicContact CZ-CB 3.69Å; F101-W110 AromaticContact CZ-CD1 3.8Å; F101-W110 HydrophobicContact CZ-CD2 4.37Å; F101-W110 AromaticContact CZ-CG 3.64Å; F101-W110 HydrophobicContact CZ-CG 3.64Å; Q106-W110 PolarHBondContact O-N 3.48Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 2.66Å; W110-R113 VanDerWaalsContact CE2-NH1 3.34Å; W110-R113 PolarHBondContact O-N 3.01Å; W110-L114 PolarHBondContact O-N 3.29Å
111	L	95.6	Very high	92.6	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-57.4	-44.5	171.6	177.6	68.1	0	0	0	111.6	V79 C81 L87 C107 Q108 N115	V79-L111 HydrophobicContact CB-CD1 4.31Å; V79-L111 HydrophobicContact CG1-CD1 3.86Å; V79-L111 VanDerWaalsContact O-CD1 3.27Å; V79-L111 WeakPolarHBondContact O-CD1 3.4Å; C81-L111 HydrophobicContact CB-CD2 3.97Å; L87-L111 HydrophobicContact CD1-CB 3.76Å; L87-L111 HydrophobicContact CD1-CD1 3.82Å; L87-L111 HydrophobicContact CD1-CG 4.4Å; C107-L111 WeakPolarHBondContact O-CB 3.36Å; C107-L111 PolarHBondContact O-N 3.01Å; Q108-L111 WeakPolarHBondContact O-CB 3.19Å; Q108-L111 PolarHBondContact O-N 3.46Å; L111-N115 VanDerWaalsContact CD1-ND2 3.26Å; L111-N115 WeakPolarHBondContact CD1-ND2 3.26Å; L111-N115 VanDerWaalsContact O-CB 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.47Å; L111-N115 PolarHBondContact O-N 2.96Å; L111-N115 PolarHBondContact O-ND2 2.85Å
112	K	95.3	Very high	92.5	Very high	136 Å²	136	53.6 Å²	53.6	59%	0.591	27%	0.274	S	S	*	.	H	α-helix	trans	-66	-46.4	178.1	174	-170.5	159	-149.5	0	112.3	Q108 E109 W110 L114 N115 S116	Q108-K112 VanDerWaalsContact O-CB 3.26Å; Q108-K112 WeakPolarHBondContact O-CB 3.45Å; Q108-K112 PolarHBondContact O-N 2.96Å; E109-K112 PolarHBondContact O-N 3.43Å; E109-K112 WeakPolarHBondContact OE2-CD 3.18Å; E109-K112 IonicContact OE2-NZ 2.73Å; E109-K112 PolarHBondContact OE2-NZ 3.21Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 2.66Å; K112-L114 PolarHBondContact O-N 2.63Å; K112-N115 PolarHBondContact O-N 2.9Å; K112-S116 PolarHBondContact O-N 2.91Å; K112-S116 VanDerWaalsContact O-N 3.08Å; K112-S116 PolarHBondContact O-OG 3.2Å
113	R	95.5	Very high	92.6	Very high	25 Å²	25	56.7 Å²	56.7	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-48.2	175.6	-72.3	171.3	-166.6	166.5	4.6	111.4	E26 M55 E109 W110 S116 V117	E26-R113 IonicContact OE1-CZ 2.73Å; E26-R113 IonicContact OE1-NH1 3.01Å; E26-R113 PolarHBondContact OE1-NH1 3.11Å; E26-R113 IonicContact OE1-NH2 3.32Å; M55-R113 HydrophobicContact CE-CB 4.07Å; E109-R113 VanDerWaalsContact O-CG 3.3Å; E109-R113 WeakPolarHBondContact O-CG 3.45Å; E109-R113 PolarHBondContact O-N 2.94Å; E109-R113 IonicContact OE1-CZ 3.58Å; E109-R113 IonicContact OE1-NE 2.8Å; E109-R113 PolarHBondContact OE1-NE 3.17Å; E109-R113 IonicContact OE1-NH2 3.57Å; E109-R113 PolarHBondContact OE1-NH2 3.31Å; W110-R113 VanDerWaalsContact CE2-NH1 3.34Å; W110-R113 PolarHBondContact O-N 3.01Å; R113-S116 PolarHBondContact O-N 3.39Å; R113-S116 PolarHBondContact O-OG 3.39Å; R113-V117 PolarHBondContact O-N 2.9Å
114	L	95.6	Very high	92.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-45	179.6	-74.1	161.6	0	0	0	112.1	M55 L60 L73 V79 L87 V89 W110 K112 S116 V117 V118	M55-L114 HydrophobicContact SD-CD2 3.67Å; M55-L114 HydrophobicContact SD-CG 4.26Å; L60-L114 HydrophobicContact CD1-CD2 4.35Å; L60-L114 HydrophobicContact CD2-CD1 4.21Å; L60-L114 HydrophobicContact CD2-CD2 4.04Å; L73-L114 HydrophobicContact CD2-CD2 4.28Å; V79-L114 HydrophobicContact CB-CB 4.39Å; V79-L114 HydrophobicContact CG1-CB 4.33Å; V79-L114 HydrophobicContact CG1-CD1 4.21Å; V79-L114 HydrophobicContact CG2-CB 4Å; L87-L114 HydrophobicContact CD2-CD1 3.8Å; V89-L114 HydrophobicContact CG2-CD1 4.26Å; W110-L114 PolarHBondContact O-N 3.29Å; K112-L114 PolarHBondContact O-N 2.63Å; L114-S116 PolarHBondContact O-N 3.32Å; L114-S116 VanDerWaalsContact O-N 3.1Å; L114-V117 WeakPolarHBondContact O-CG2 3.39Å; L114-V117 PolarHBondContact O-N 2.93Å; L114-V118 WeakPolarHBondContact O-CB 3.42Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.46Å
115	N	94	Very high	92.7	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	25%	0.253	S	S	.	.	H	α-helix	trans	-70.6	-0.9	176.1	-75.7	-40.7	0	0	0	114.6	V79 L111 K112 R119	V79-N115 PolarHBondContact O-ND2 2.84Å; L111-N115 VanDerWaalsContact CD1-ND2 3.26Å; L111-N115 WeakPolarHBondContact CD1-ND2 3.26Å; L111-N115 VanDerWaalsContact O-CB 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.47Å; L111-N115 PolarHBondContact O-N 2.96Å; L111-N115 PolarHBondContact O-ND2 2.85Å; K112-N115 PolarHBondContact O-N 2.9Å; N115-R119 PolarHBondContact O-NE 3.45Å; N115-R119 PolarHBondContact O-NH2 3.28Å
116	S	91.9	Very high	92.7	Very high	67 Å²	67	50.9 Å²	50.9	47%	0.469	25%	0.249	S	C	.	.	H	α-helix	trans	-88.5	-34.2	162.3	51.6	0	0	0	0	114	K112 R113 L114	K112-S116 PolarHBondContact O-N 2.91Å; K112-S116 VanDerWaalsContact O-N 3.08Å; K112-S116 PolarHBondContact O-OG 3.2Å; R113-S116 PolarHBondContact O-N 3.39Å; R113-S116 PolarHBondContact O-OG 3.39Å; L114-S116 PolarHBondContact O-N 3.32Å; L114-S116 VanDerWaalsContact O-N 3.1Å
117	V	89.8	Confident	92.9	Very high	37 Å²	37	48.7 Å²	48.7	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-97	-14	-174.4	-56.9	0	0	0	0	114.8	M55 L73 R113 L114 R119	M55-V117 HydrophobicContact CE-CG1 4.07Å; M55-V117 HydrophobicContact CE-CG2 4.19Å; M55-V117 HydrophobicContact SD-CG2 3.74Å; L73-V117 HydrophobicContact CD1-CB 4.05Å; L73-V117 HydrophobicContact CD1-CG2 3.77Å; L73-V117 HydrophobicContact CD2-CG2 3.89Å; L73-V117 HydrophobicContact CG-CG2 4.3Å; R113-V117 PolarHBondContact O-N 2.9Å; L114-V117 WeakPolarHBondContact O-CG2 3.39Å; L114-V117 PolarHBondContact O-N 2.93Å; V117-R119 VanDerWaalsContact C-N 3.3Å
118	V	88.4	Confident	93	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	24%	0.241	C	C	.	.	S	Bend	trans	-87.1	0.3	177.2	176.2	0	0	0	0	112.5	V76 L114	V76-V118 HydrophobicContact CB-CG1 3.9Å; V76-V118 HydrophobicContact CB-CG2 3.76Å; V76-V118 HydrophobicContact CG1-CG1 3.84Å; V76-V118 HydrophobicContact CG1-CG2 3.87Å; V76-V118 HydrophobicContact CG2-CG2 4.26Å; L114-V118 WeakPolarHBondContact O-CB 3.42Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.46Å
119	R	87	Confident	93	Very high	162 Å²	162	46 Å²	46	61%	0.611	23%	0.226	S	C	*	.	S	Bend	trans	-70.1	157.3	174.1	-62.2	-179.4	-170.8	-170.1	-1.4	110.9	N115 V117	N115-R119 PolarHBondContact O-NE 3.45Å; N115-R119 PolarHBondContact O-NH2 3.28Å; V117-R119 VanDerWaalsContact C-N 3.3Å
120	P	87	Confident	93.1	Very high	17 Å²	17	43.4 Å²	43.4	11%	0.11	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-53.1	143.4	167.5	-25.1	36.6	0	0	0	111	S461 E462	P120-S461 VanDerWaalsContact CG-O 3.3Å; P120-S461 WeakPolarHBondContact CG-O 3.46Å; P120-E462 WeakPolarHBondContact CD-OE1 3.41Å; P120-E462 VanDerWaalsContact CG-OE1 3.31Å; P120-E462 WeakPolarHBondContact CG-OE1 3.45Å
121	P	91.4	Very high	93.1	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.058	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-63.1	146.6	175.7	28.9	-36.5	0	0	0	110.6	R123 D126 L127 E459 N460	P121-R123 WeakPolarHBondContact CB-O 3.44Å; P121-D126 HydrophobicContact CB-CB 4.02Å; P121-L127 HydrophobicContact CB-CD2 4.09Å; P121-L127 HydrophobicContact CB-CG 4.23Å; P121-L127 HydrophobicContact CG-CD1 4.41Å; P121-L127 HydrophobicContact CG-CD2 3.93Å; P121-L127 HydrophobicContact CG-CG 4.12Å; P121-E459 WeakPolarHBondContact O-CA 3.49Å; P121-N460 PolarHBondContact O-N 2.91Å
122	S	91.6	Very high	93	Very high	71 Å²	71	43.6 Å²	43.6	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-75	-34	174.6	75.4	0	0	0	0	111	D126 N460	S122-D126 WeakPolarHBondContact CA-OD2 3.29Å; S122-D126 WeakPolarHBondContact CB-OD2 3.28Å; S122-D126 PolarHBondContact N-OD2 2.99Å; S122-D126 PolarHBondContact OG-OD2 2.83Å; S122-N460 PolarHBondContact O-ND2 3.15Å; S122-N460 VanDerWaalsContact O-ND2 3.17Å
123	R	93.2	Very high	92.9	Very high	139 Å²	139	38.4 Å²	38.4	53%	0.525	19%	0.192	S	C	.	.	S	Bend	trans	-136.3	148.8	175.8	-65.2	176.6	56.2	171.7	-1.9	110.2	P121 E125 D126 E459	P121-R123 WeakPolarHBondContact CB-O 3.44Å; R123-E125 IonicContact CZ-OE2 2.78Å; R123-E125 IonicContact NE-OE2 2.73Å; R123-E125 PolarHBondContact NE-OE2 3.03Å; R123-E125 IonicContact NH2-OE2 3.24Å; R123-E125 PolarHBondContact NH2-OE2 3.01Å; R123-E125 PolarHBondContact O-N 2.91Å; R123-E125 VanDerWaalsContact O-N 3.12Å; R123-D126 PolarHBondContact N-OD2 3.32Å; R123-D126 VanDerWaalsContact O-CB 3.23Å; R123-D126 WeakPolarHBondContact O-CB 3.47Å; R123-D126 VanDerWaalsContact O-CG 3.22Å; R123-D126 PolarHBondContact O-N 3.45Å; R123-E459 WeakPolarHBondContact CA-OE1 3.48Å
124	L	93.3	Very high	92.7	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.4	177.8	-162.6	70	0	0	0	111.7	D126 L127 F130 E459 L512 R522 V524	L124-D126 PolarHBondContact O-N 2.84Å; L124-L127 HydrophobicContact CD1-CD1 3.96Å; L124-L127 WeakPolarHBondContact O-CB 3.13Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-F130 HydrophobicContact CD2-CE2 4.41Å; L124-F130 HydrophobicContact CD2-CZ 3.93Å; L124-F130 HydrophobicContact CG-CE2 3.87Å; L124-F130 HydrophobicContact CG-CZ 3.89Å; L124-F130 VanDerWaalsContact O-CD2 3.22Å; L124-F130 WeakPolarHBondContact O-CD2 3.43Å; L124-F130 WeakPolarHBondContact O-CE2 3.29Å; L124-E459 HydrophobicContact CB-CG 4.2Å; L124-E459 PolarHBondContact N-OE1 2.85Å; L124-L512 HydrophobicContact CD1-CD1 4.35Å; L124-R522 HydrophobicContact CD2-CB 4.1Å; L124-R522 HydrophobicContact CD2-CG 4.42Å; L124-V524 HydrophobicContact CD2-CG2 4.01Å
125	E	93.4	Very high	92.4	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.131	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.2	173.9	-70.8	84	-149.4	0	0	115.1	R123 L127 R522 R527	R123-E125 IonicContact CZ-OE2 2.78Å; R123-E125 IonicContact NE-OE2 2.73Å; R123-E125 PolarHBondContact NE-OE2 3.03Å; R123-E125 IonicContact NH2-OE2 3.24Å; R123-E125 PolarHBondContact NH2-OE2 3.01Å; R123-E125 PolarHBondContact O-N 2.91Å; R123-E125 VanDerWaalsContact O-N 3.12Å; E125-L127 PolarHBondContact O-N 3.05Å; E125-R522 IonicContact OE1-NH2 3.35Å; E125-R522 IonicContact OE2-NH2 2.67Å; E125-R527 IonicContact OE1-CZ 3.69Å; E125-R527 VanDerWaalsContact OE1-CZ 3.29Å; E125-R527 IonicContact OE1-NH1 2.61Å; E125-R527 PolarHBondContact OE1-NH1 2.92Å; E125-R527 IonicContact OE1-NH2 3.36Å; E125-R527 PolarHBondContact OE1-NH2 2.8Å
126	D	93.4	Very high	92.1	Very high	93 Å²	93	38 Å²	38	50%	0.497	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-71.1	-14.9	176.4	-54.6	-21.6	0	0	0	111.5	P121 S122 R123 L124	P121-D126 HydrophobicContact CB-CB 4.02Å; S122-D126 WeakPolarHBondContact CA-OD2 3.29Å; S122-D126 WeakPolarHBondContact CB-OD2 3.28Å; S122-D126 PolarHBondContact N-OD2 2.99Å; S122-D126 PolarHBondContact OG-OD2 2.83Å; R123-D126 PolarHBondContact N-OD2 3.32Å; R123-D126 VanDerWaalsContact O-CB 3.23Å; R123-D126 WeakPolarHBondContact O-CB 3.47Å; R123-D126 VanDerWaalsContact O-CG 3.22Å; R123-D126 PolarHBondContact O-N 3.45Å; L124-D126 PolarHBondContact O-N 2.84Å
127	L	95.6	Very high	91.6	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	-78.7	139.4	179.3	-63.7	177.7	0	0	0	112.3	Q74 P121 L124 E125 S129 F130 C506 L512	Q74-L127 HydrophobicContact CG-CD2 4Å; P121-L127 HydrophobicContact CB-CD2 4.09Å; P121-L127 HydrophobicContact CB-CG 4.23Å; P121-L127 HydrophobicContact CG-CD1 4.41Å; P121-L127 HydrophobicContact CG-CD2 3.93Å; P121-L127 HydrophobicContact CG-CG 4.12Å; L124-L127 HydrophobicContact CD1-CD1 3.96Å; L124-L127 WeakPolarHBondContact O-CB 3.13Å; L124-L127 PolarHBondContact O-N 2.87Å; E125-L127 PolarHBondContact O-N 3.05Å; L127-S129 PolarHBondContact O-N 2.95Å; L127-F130 HydrophobicContact CB-CD2 4.43Å; L127-F130 PolarHBondContact O-N 3.04Å; L127-C506 HydrophobicContact CB-CB 4.4Å; L127-C506 HydrophobicContact CD2-CB 4.19Å; L127-L512 HydrophobicContact CD1-CD1 4.34Å; L127-L512 HydrophobicContact CD1-CD2 3.62Å
128	F	96.2	Very high	91.2	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-55	-31.1	-172.6	-174	-112	0	0	0	114.7	L37 H38 E40 Y58 F130 A131 F132 L507	L37-F128 HydrophobicContact CB-CZ 4.49Å; L37-F128 HydrophobicContact CD1-CE1 4.32Å; H38-F128 WeakPolarHBondContact O-CZ 3.46Å; E40-F128 HydrophobicContact CB-CE2 3.99Å; E40-F128 HydrophobicContact CB-CZ 3.74Å; Y58-F128 HydrophobicContact CD1-CD1 4.36Å; Y58-F128 HydrophobicContact CD1-CE1 4.18Å; Y58-F128 HydrophobicContact CD2-CB 4.12Å; Y58-F128 AromaticContact CD2-CD1 3.36Å; Y58-F128 HydrophobicContact CD2-CD1 3.36Å; Y58-F128 AromaticContact CD2-CE1 4Å; Y58-F128 HydrophobicContact CD2-CE1 4Å; Y58-F128 AromaticContact CD2-CG 3.83Å; Y58-F128 HydrophobicContact CD2-CG 3.83Å; Y58-F128 HydrophobicContact CE2-CD1 4.06Å; Y58-F128 AromaticContact CG-CD1 3.55Å; Y58-F128 HydrophobicContact CG-CD1 3.55Å; Y58-F128 AromaticContact CG-CE1 3.75Å; Y58-F128 HydrophobicContact CG-CE1 3.75Å; Y58-F128 HydrophobicContact CG-CG 4.02Å; Y58-F128 HydrophobicContact CG-CZ 4.39Å; F128-F130 PolarHBondContact O-N 3.37Å; F128-F130 VanDerWaalsContact O-N 3.1Å; F128-A131 HydrophobicContact CD2-CB 4.38Å; F128-A131 HydrophobicContact CE2-CB 4.47Å; F128-A131 PolarHBondContact O-N 2.73Å; F128-A131 VanDerWaalsContact O-N 3.09Å; F128-F132 HydrophobicContact CD1-CB 4.17Å; F128-F132 HydrophobicContact CE1-CB 3.8Å; F128-F132 HydrophobicContact CE1-CD2 4.03Å; F128-F132 HydrophobicContact CE1-CG 4.24Å; F128-F132 HydrophobicContact CZ-CB 4.13Å; F128-F132 HydrophobicContact CZ-CD2 4.37Å; F128-F132 WeakPolarHBondContact O-CB 3.44Å; F128-F132 PolarHBondContact O-N 3.22Å; F128-L507 HydrophobicContact CD1-CD1 3.74Å; F128-L507 HydrophobicContact CE1-CD1 3.54Å
129	S	95.9	Very high	90.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-51.7	-32.1	178.4	54	0	0	0	0	114.9	L127 H133 C506 L507	L127-S129 PolarHBondContact O-N 2.95Å; S129-H133 WeakPolarHBondContact O-CB 3.32Å; S129-H133 PolarHBondContact O-N 2.78Å; S129-H133 VanDerWaalsContact O-N 3.16Å; S129-C506 WeakPolarHBondContact CA-O 3.29Å; S129-C506 VanDerWaalsContact CB-O 3.32Å; S129-C506 WeakPolarHBondContact CB-O 3.1Å; S129-C506 PolarHBondContact N-O 3.13Å; S129-L507 WeakPolarHBondContact CA-O 3.46Å
130	F	95.3	Very high	89.6	Confident	5 Å²	5	39 Å²	39	2%	0.022	20%	0.196	C	C	.	.	H	α-helix	trans	-77.6	-43	178.8	-66.5	-91.9	0	0	0	111.6	F18 L124 L127 F128 A134 L512 R527 T528	F18-F130 HydrophobicContact CE1-CB 4.29Å; F18-F130 HydrophobicContact CE2-CB 4.44Å; F18-F130 HydrophobicContact CZ-CB 3.7Å; L124-F130 HydrophobicContact CD2-CE2 4.41Å; L124-F130 HydrophobicContact CD2-CZ 3.93Å; L124-F130 HydrophobicContact CG-CE2 3.87Å; L124-F130 HydrophobicContact CG-CZ 3.89Å; L124-F130 VanDerWaalsContact O-CD2 3.22Å; L124-F130 WeakPolarHBondContact O-CD2 3.43Å; L124-F130 WeakPolarHBondContact O-CE2 3.29Å; L127-F130 HydrophobicContact CB-CD2 4.43Å; L127-F130 PolarHBondContact O-N 3.04Å; F128-F130 PolarHBondContact O-N 3.37Å; F128-F130 VanDerWaalsContact O-N 3.1Å; F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 2.85Å; F130-L512 HydrophobicContact CE2-CD1 3.91Å; F130-L512 HydrophobicContact CZ-CD1 4.33Å; F130-R527 HydrophobicContact CD1-CB 3.87Å; F130-R527 HydrophobicContact CE1-CB 3.79Å; F130-T528 HydrophobicContact CD1-CG2 3.86Å; F130-T528 HydrophobicContact CD2-CG2 4.06Å; F130-T528 HydrophobicContact CE1-CG2 3.68Å; F130-T528 HydrophobicContact CE2-CG2 3.84Å; F130-T528 HydrophobicContact CG-CG2 4.05Å; F130-T528 HydrophobicContact CZ-CG2 3.66Å
131	A	94.9	Very high	88.4	Confident	5 Å²	5	40.8 Å²	40.8	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-45.1	173.8	0	0	0	0	0	111.4	F18 F128 A134 W135	F18-A131 HydrophobicContact CB-CB 4.05Å; F18-A131 HydrophobicContact CD1-CB 3.74Å; F18-A131 HydrophobicContact CD2-CB 4.29Å; F18-A131 HydrophobicContact CE1-CB 4.24Å; F18-A131 HydrophobicContact CG-CB 3.77Å; F128-A131 HydrophobicContact CD2-CB 4.38Å; F128-A131 HydrophobicContact CE2-CB 4.47Å; F128-A131 PolarHBondContact O-N 2.73Å; F128-A131 VanDerWaalsContact O-N 3.09Å; A131-A134 PolarHBondContact O-N 3.12Å; A131-W135 WeakPolarHBondContact O-CB 3.44Å; A131-W135 VanDerWaalsContact O-CD1 3.25Å; A131-W135 PolarHBondContact O-N 3.12Å
132	F	94.4	Very high	86.8	Confident	25 Å²	25	44 Å²	44	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-52.1	176.7	179.5	-105.4	0	0	0	111.8	L37 H38 F128 C136 L507 F508 C529	L37-F132 HydrophobicContact CB-CE2 4.47Å; H38-F132 HydrophobicContact CB-CD2 4.35Å; H38-F132 HydrophobicContact CB-CE2 4.44Å; H38-F132 WeakPolarHBondContact O-CD2 3.3Å; F128-F132 HydrophobicContact CD1-CB 4.17Å; F128-F132 HydrophobicContact CE1-CB 3.8Å; F128-F132 HydrophobicContact CE1-CD2 4.03Å; F128-F132 HydrophobicContact CE1-CG 4.24Å; F128-F132 HydrophobicContact CZ-CB 4.13Å; F128-F132 HydrophobicContact CZ-CD2 4.37Å; F128-F132 WeakPolarHBondContact O-CB 3.44Å; F128-F132 PolarHBondContact O-N 3.22Å; F132-C136 WeakPolarHBondContact O-CB 3.37Å; F132-C136 PolarHBondContact O-N 2.94Å; F132-C136 PolarHBondContact O-SG 3.38Å; F132-C136 VanDerWaalsContact O-SG 3.33Å; F132-L507 HydrophobicContact CB-CD1 4.27Å; F132-L507 HydrophobicContact CD1-CD1 3.99Å; F132-L507 HydrophobicContact CD2-CD1 3.7Å; F132-L507 HydrophobicContact CE1-CD1 4.26Å; F132-L507 HydrophobicContact CE2-CD1 3.98Å; F132-L507 HydrophobicContact CG-CD1 3.72Å; F132-L507 HydrophobicContact CZ-CD1 4.25Å; F132-F508 HydrophobicContact CE1-CE1 4.48Å; F132-C529 HydrophobicContact CD1-CB 4.32Å; F132-C529 HydrophobicContact CE1-CB 4.14Å
133	H	92.4	Very high	85.1	Confident	27 Å²	27	46.8 Å²	46.8	13%	0.125	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-46.2	179	171.3	-96.2	0	0	0	112.8	S129 W135 C136 M137 E526 R527	S129-H133 WeakPolarHBondContact O-CB 3.32Å; S129-H133 PolarHBondContact O-N 2.78Å; S129-H133 VanDerWaalsContact O-N 3.16Å; H133-W135 PolarHBondContact O-N 2.85Å; H133-C136 PolarHBondContact O-N 3.06Å; H133-M137 WeakPolarHBondContact O-CB 3.47Å; H133-M137 WeakPolarHBondContact O-CG 3.42Å; H133-M137 PolarHBondContact O-N 2.94Å; H133-E526 PolarHBondContact CE1-O 3.39Å; H133-E526 VanDerWaalsContact CE1-O 3.23Å; H133-R527 WeakPolarHBondContact CB-O 3.41Å; H133-R527 PolarHBondContact ND1-O 3.02Å
134	A	91.7	Very high	83	Confident	21 Å²	21	48.9 Å²	48.9	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-46	179.7	0	0	0	0	0	111.9	A14 F18 F130 A131 M137 E138	A14-A134 VanDerWaalsContact CB-C 3.46Å; A14-A134 HydrophobicContact CB-CB 3.81Å; A14-A134 WeakPolarHBondContact CB-O 3.24Å; F18-A134 HydrophobicContact CD2-CB 3.77Å; F18-A134 HydrophobicContact CE2-CB 3.78Å; F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 2.85Å; A131-A134 PolarHBondContact O-N 3.12Å; A134-M137 PolarHBondContact O-N 3.43Å; A134-E138 PolarHBondContact O-N 3.43Å
135	W	90.8	Very high	80.8	Confident	48 Å²	48	57.6 Å²	57.6	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-71.3	-32.4	179.1	-81.6	82.3	0	0	0	113.4	A14 N15 F18 K20 H38 G39 A131 H133 V139	A14-W135 HydrophobicContact CB-CB 4.41Å; A14-W135 HydrophobicContact CB-CD2 4.17Å; A14-W135 HydrophobicContact CB-CG 3.85Å; A14-W135 PolarHBondContact O-NE1 3.1Å; N15-W135 HydrophobicContact CB-CH2 3.91Å; N15-W135 HydrophobicContact CB-CZ2 3.85Å; F18-W135 PolarHBondContact O-NE1 2.98Å; K20-W135 HydrophobicContact CD-CH2 4.11Å; K20-W135 HydrophobicContact CD-CZ2 4.27Å; K20-W135 HydrophobicContact CG-CH2 4.01Å; K20-W135 HydrophobicContact CG-CZ2 3.73Å; H38-W135 HydrophobicContact CB-CB 4.08Å; G39-W135 VanDerWaalsContact CA-CD1 3.43Å; G39-W135 VanDerWaalsContact CA-CG 3.42Å; G39-W135 VanDerWaalsContact N-CB 3.26Å; A131-W135 WeakPolarHBondContact O-CB 3.44Å; A131-W135 VanDerWaalsContact O-CD1 3.25Å; A131-W135 PolarHBondContact O-N 3.12Å; H133-W135 PolarHBondContact O-N 2.85Å; W135-V139 WeakPolarHBondContact O-CG2 3.44Å; W135-V139 PolarHBondContact O-N 3.11Å
136	C	87.3	Confident	78.7	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.034	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-50.6	167.6	-76.2	0	0	0	0	110.7	H38 F132 H133 E138 V139 Y140	H38-C136 PolarHBondContact ND1-SG 3.46Å; F132-C136 WeakPolarHBondContact O-CB 3.37Å; F132-C136 PolarHBondContact O-N 2.94Å; F132-C136 PolarHBondContact O-SG 3.38Å; F132-C136 VanDerWaalsContact O-SG 3.33Å; H133-C136 PolarHBondContact O-N 3.06Å; C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 3.25Å; C136-V139 PolarHBondContact O-N 2.91Å; C136-V139 VanDerWaalsContact O-N 3.1Å; C136-Y140 HydrophobicContact CB-CD2 4.44Å; C136-Y140 WeakPolarHBondContact O-CD2 3.34Å; C136-Y140 PolarHBondContact O-N 2.95Å
137	M	81.6	Confident	76.6	Confident	89 Å²	89	60 Å²	60	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-35.4	-178.2	-75.5	-56.6	-52.1	0	0	113.5	H133 A134 A141	H133-M137 WeakPolarHBondContact O-CB 3.47Å; H133-M137 WeakPolarHBondContact O-CG 3.42Å; H133-M137 PolarHBondContact O-N 2.94Å; A134-M137 PolarHBondContact O-N 3.43Å; M137-A141 PolarHBondContact O-N 2.73Å
138	E	80.5	Confident	74.6	Confident	73 Å²	73	62 Å²	62	34%	0.341	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-42.6	173.8	-170.9	172.5	163.6	0	0	112	A14 N15 A134 C136	A14-E138 WeakPolarHBondContact CA-OE2 3.39Å; A14-E138 HydrophobicContact CB-CB 4.26Å; A14-E138 VanDerWaalsContact CB-OE2 3.22Å; A14-E138 WeakPolarHBondContact CB-OE2 3.45Å; A14-E138 PolarHBondContact N-OE2 3.14Å; N15-E138 PolarHBondContact ND2-OE1 3.03Å; A134-E138 PolarHBondContact O-N 3.43Å; C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 3.25Å
139	V	73.4	Confident	72.6	Confident	77 Å²	77	69.1 Å²	69.1	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-40.2	179.5	169.5	0	0	0	0	112.3	W135 C136	W135-V139 WeakPolarHBondContact O-CG2 3.44Å; W135-V139 PolarHBondContact O-N 3.11Å; C136-V139 PolarHBondContact O-N 2.91Å; C136-V139 VanDerWaalsContact O-N 3.1Å
140	Y	67.6	Low	70.9	Confident	67 Å²	67	71.8 Å²	71.8	26%	0.263	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	5.5	-176.6	-60.5	-72.1	0	0	0	114.5	C136 G142 E143 H147	C136-Y140 HydrophobicContact CB-CD2 4.44Å; C136-Y140 WeakPolarHBondContact O-CD2 3.34Å; C136-Y140 PolarHBondContact O-N 2.95Å; Y140-G142 PolarHBondContact O-N 3.01Å; Y140-E143 PolarHBondContact O-N 2.85Å; Y140-H147 AromaticContact CD1-ND1 3.86Å; Y140-H147 AromaticContact CD2-CD2 3.9Å; Y140-H147 AromaticContact CD2-CE1 3.07Å; Y140-H147 WeakPolarHBondContact CD2-CE1 3.39Å; Y140-H147 AromaticContact CD2-CG 3.73Å; Y140-H147 AromaticContact CD2-ND1 3.2Å; Y140-H147 WeakPolarHBondContact CD2-ND1 3.4Å; Y140-H147 AromaticContact CD2-NE2 3.51Å; Y140-H147 AromaticContact CE2-CE1 3.32Å; Y140-H147 WeakPolarHBondContact CE2-CE1 3.41Å; Y140-H147 AromaticContact CE2-ND1 3.67Å; Y140-H147 HydrophobicContact CG-CB 4.22Å; Y140-H147 AromaticContact CG-CE1 3.74Å; Y140-H147 AromaticContact CG-CG 3.65Å; Y140-H147 AromaticContact CG-ND1 3.32Å; Y140-H147 VanDerWaalsContact CG-ND1 3.32Å
141	A	62	Low	69.8	Low	55 Å²	55	72.1 Å²	72.1	46%	0.455	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.6	-179.7	0	0	0	0	0	114.9	M137 K144	M137-A141 PolarHBondContact O-N 2.73Å; A141-K144 VanDerWaalsContact O-CE 3.32Å; A141-K144 WeakPolarHBondContact O-CE 3.49Å; A141-K144 WeakPolarHBondContact O-CG 3.3Å
142	G	57.6	Low	69	Low	77 Å²	77	79 Å²	79	79%	0.794	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.4	173.5	0	0	0	0	0	115.4	Y140	Y140-G142 PolarHBondContact O-N 3.01Å
143	E	57.2	Low	68.4	Low	128 Å²	128	78.6 Å²	78.6	60%	0.598	41%	0.41	S	S	*	.	S	Bend	trans	-115.1	53.2	-171.6	-64.1	-175.1	157.9	0	0	111	Y140 E145 Q146	Y140-E143 PolarHBondContact O-N 2.85Å; E143-E145 PolarHBondContact O-N 3.19Å; E143-Q146 PolarHBondContact O-N 3.09Å
144	K	47.8	Very low	68	Low	183 Å²	183	78.7 Å²	78.7	80%	0.796	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.6	-159.5	-68.3	-170.1	173.9	-174.7	0	117.8	A141	A141-K144 VanDerWaalsContact O-CE 3.32Å; A141-K144 WeakPolarHBondContact O-CE 3.49Å; A141-K144 WeakPolarHBondContact O-CG 3.3Å
145	E	48.7	Very low	67.7	Low	188 Å²	188	85 Å²	85	88%	0.879	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-20.1	-175.7	-66.8	-176.1	143.9	0	0	114.3	E143	E143-E145 PolarHBondContact O-N 3.19Å
146	Q	48.9	Very low	67.7	Low	151 Å²	151	84.4 Å²	84.4	71%	0.706	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-16.3	-172.1	-68.4	-173.5	-2.3	0	0	115	E143	E143-Q146 PolarHBondContact O-N 3.09Å
147	H	49.5	Very low	67.8	Low	20 Å²	20	84.6 Å²	84.6	9%	0.093	45%	0.445	C	S	.	.	S	Bend	trans	-88.3	-16.8	-177.1	-158.9	74.9	0	0	0	114.8	Y140 E149 L150	Y140-H147 AromaticContact CD1-ND1 3.86Å; Y140-H147 AromaticContact CD2-CD2 3.9Å; Y140-H147 AromaticContact CD2-CE1 3.07Å; Y140-H147 WeakPolarHBondContact CD2-CE1 3.39Å; Y140-H147 AromaticContact CD2-CG 3.73Å; Y140-H147 AromaticContact CD2-ND1 3.2Å; Y140-H147 WeakPolarHBondContact CD2-ND1 3.4Å; Y140-H147 AromaticContact CD2-NE2 3.51Å; Y140-H147 AromaticContact CE2-CE1 3.32Å; Y140-H147 WeakPolarHBondContact CE2-CE1 3.41Å; Y140-H147 AromaticContact CE2-ND1 3.67Å; Y140-H147 HydrophobicContact CG-CB 4.22Å; Y140-H147 AromaticContact CG-CE1 3.74Å; Y140-H147 AromaticContact CG-CG 3.65Å; Y140-H147 AromaticContact CG-ND1 3.32Å; Y140-H147 VanDerWaalsContact CG-ND1 3.32Å; H147-E149 PolarHBondContact O-N 3.42Å; H147-L150 PolarHBondContact O-N 3.26Å
148	G	52.5	Low	68.1	Low	47 Å²	47	84.2 Å²	84.2	49%	0.485	45%	0.448	S	S	.	.	H	α-helix	trans	-57.6	-36.3	177.5	0	0	0	0	0	113.1	L150 R152	G148-L150 VanDerWaalsContact C-N 3.31Å; G148-L150 PolarHBondContact O-N 3.4Å; G148-R152 WeakPolarHBondContact O-CB 3.24Å; G148-R152 WeakPolarHBondContact O-CG 3.49Å; G148-R152 PolarHBondContact O-N 3.01Å
149	E	55.7	Low	68.5	Low	160 Å²	160	83 Å²	83	75%	0.748	45%	0.447	S	S	*	.	H	α-helix	trans	-75.7	-13.1	176.4	-57.8	-177.6	170.5	0	0	113.9	H147	H147-E149 PolarHBondContact O-N 3.42Å
150	L	59	Low	69.4	Low	56 Å²	56	81 Å²	81	29%	0.293	43%	0.431	S	S	.	.	H	α-helix	trans	-95.5	-12.7	-172.4	-68	176.8	0	0	0	114.3	H147 G148 S533	H147-L150 PolarHBondContact O-N 3.26Å; G148-L150 VanDerWaalsContact C-N 3.31Å; G148-L150 PolarHBondContact O-N 3.4Å; L150-S533 WeakPolarHBondContact O-CB 3.09Å; L150-S533 PolarHBondContact O-OG 3.5Å
151	C	71.7	Confident	70.7	Confident	12 Å²	12	79 Å²	79	8%	0.081	42%	0.424	C	S	.	.	H	α-helix	trans	-125	-11.5	172.1	-82.2	0	0	0	0	114.7	C529 S530	C151-C529 HydrophobicContact CB-CB 3.61Å; C151-C529 WeakPolarHBondContact CB-SG 3.23Å; C151-C529 CarbonylContact O-C 3.54Å; C151-C529 WeakPolarHBondContact O-CA 3.3Å; C151-C529 WeakPolarHBondContact SG-CB 3.45Å; C151-C529 CovalentContact SG-SG 2.04Å; C151-C529 PolarHBondContact SG-SG 3.29Å; C151-S530 PolarHBondContact O-N 2.79Å
152	R	78.1	Confident	72.2	Confident	151 Å²	151	83 Å²	83	57%	0.57	43%	0.431	S	S	*	.	S	Bend	trans	-90.8	154.4	175.6	-68.2	-176.4	170.3	-161	-7	112.1	G148	G148-R152 WeakPolarHBondContact O-CB 3.24Å; G148-R152 WeakPolarHBondContact O-CG 3.49Å; G148-R152 PolarHBondContact O-N 3.01Å
153	P	82.2	Confident	74	Confident	15 Å²	15	82.6 Å²	82.6	10%	0.097	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-62.1	154.6	162.3	30.3	-36.1	0	0	0	110.5	V157 T158	P153-V157 HydrophobicContact CB-CB 4.01Å; P153-V157 HydrophobicContact CB-CG1 3.73Å; P153-V157 HydrophobicContact CG-CG1 4.33Å; P153-T158 HydrophobicContact CG-CG2 3.9Å
154	G	84	Confident	75.9	Confident	29 Å²	29	76.9 Å²	76.9	30%	0.299	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-73	166.1	177.8	0	0	0	0	0	113.6	H156 V157 T158	G154-H156 PolarHBondContact O-N 3.24Å; G154-V157 WeakPolarHBondContact O-CB 3.46Å; G154-V157 PolarHBondContact O-N 2.77Å; G154-T158 PolarHBondContact O-N 3.32Å; G154-T158 VanDerWaalsContact O-N 3.09Å
155	E	86.8	Confident	78.1	Confident	154 Å²	154	68.9 Å²	68.9	72%	0.72	35%	0.351	S	S	*	.	H	α-helix	trans	-58.7	-34.2	-175.9	-171.7	177.4	-175.9	0	0	113	V157 T158 S159	E155-V157 PolarHBondContact O-N 3.48Å; E155-T158 WeakPolarHBondContact CA-OG1 3.35Å; E155-T158 PolarHBondContact O-N 3.22Å; E155-T158 PolarHBondContact O-OG1 2.93Å; E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.22Å
156	H	89.4	Confident	80.4	Confident	36 Å²	36	66.6 Å²	66.6	17%	0.167	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-30.5	175	61.4	-64.7	0	0	0	113.1	G154 W160 E434 Q437 V438	G154-H156 PolarHBondContact O-N 3.24Å; H156-W160 WeakPolarHBondContact O-CA 3.26Å; H156-E434 PolarHBondContact CD2-O 3.47Å; H156-Q437 PolarHBondContact CE1-OE1 3.05Å; H156-Q437 PolarHBondContact NE2-OE1 3.12Å; H156-V438 WeakPolarHBondContact O-CG2 3.42Å
157	V	90.1	Very high	82.6	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-84	-49	172.1	166.9	0	0	0	0	111	P153 G154 E155 S159 W160 Q437 V438 E441	P153-V157 HydrophobicContact CB-CB 4.01Å; P153-V157 HydrophobicContact CB-CG1 3.73Å; P153-V157 HydrophobicContact CG-CG1 4.33Å; G154-V157 WeakPolarHBondContact O-CB 3.46Å; G154-V157 PolarHBondContact O-N 2.77Å; E155-V157 PolarHBondContact O-N 3.48Å; V157-S159 PolarHBondContact O-N 3.01Å; V157-W160 WeakPolarHBondContact O-CB 3.42Å; V157-W160 VanDerWaalsContact O-CD1 3.26Å; V157-W160 PolarHBondContact O-N 2.73Å; V157-W160 VanDerWaalsContact O-N 3.17Å; V157-Q437 HydrophobicContact CG2-CB 4.13Å; V157-V438 HydrophobicContact CG2-CG2 4.17Å; V157-E441 HydrophobicContact CG1-CB 4.17Å; V157-E441 HydrophobicContact CG1-CG 3.62Å; V157-E441 HydrophobicContact CG2-CG 4.12Å
158	T	86.6	Confident	84.8	Confident	81 Å²	81	61.5 Å²	61.5	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-22.7	-176	57.5	0	0	0	0	113.9	P153 G154 E155	P153-T158 HydrophobicContact CG-CG2 3.9Å; G154-T158 PolarHBondContact O-N 3.32Å; G154-T158 VanDerWaalsContact O-N 3.09Å; E155-T158 WeakPolarHBondContact CA-OG1 3.35Å; E155-T158 PolarHBondContact O-N 3.22Å; E155-T158 PolarHBondContact O-OG1 2.93Å
159	S	88.9	Confident	86.9	Confident	48 Å²	48	60.4 Å²	60.4	34%	0.336	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	19.2	177.8	-58.2	0	0	0	0	113	E155 V157 F161 N163	E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.22Å; V157-S159 PolarHBondContact O-N 3.01Å; S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 PolarHBondContact O-N 3.16Å; S159-F161 VanDerWaalsContact O-N 3.17Å; S159-N163 VanDerWaalsContact O-CG 3.23Å; S159-N163 PolarHBondContact O-N 3.31Å; S159-N163 PolarHBondContact O-ND2 2.64Å
160	W	93.5	Very high	88.8	Confident	35 Å²	35	53.5 Å²	53.5	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-52.9	-43.3	-169.2	78.1	-104.6	0	0	0	113.7	H156 V157 K162 N163 E164 P192 V438 T442 D446	H156-W160 WeakPolarHBondContact O-CA 3.26Å; V157-W160 WeakPolarHBondContact O-CB 3.42Å; V157-W160 VanDerWaalsContact O-CD1 3.26Å; V157-W160 PolarHBondContact O-N 2.73Å; V157-W160 VanDerWaalsContact O-N 3.17Å; W160-K162 PolarHBondContact O-N 3.44Å; W160-N163 PolarHBondContact O-N 3.3Å; W160-E164 HydrophobicContact CE3-CB 4.24Å; W160-E164 HydrophobicContact CE3-CG 4.06Å; W160-E164 WeakPolarHBondContact O-CB 3.39Å; W160-E164 WeakPolarHBondContact O-CG 3.36Å; W160-E164 PolarHBondContact O-N 3.07Å; W160-P192 HydrophobicContact CZ2-CB 4.43Å; W160-V438 HydrophobicContact CB-CG1 4.16Å; W160-V438 HydrophobicContact CB-CG2 4.42Å; W160-T442 HydrophobicContact CD2-CG2 3.28Å; W160-T442 HydrophobicContact CE3-CG2 3.16Å; W160-T442 HydrophobicContact CG-CG2 3.93Å; W160-T442 HydrophobicContact CH2-CG2 3.71Å; W160-T442 HydrophobicContact CZ2-CG2 3.81Å; W160-T442 HydrophobicContact CZ3-CG2 3.4Å; W160-T442 VanDerWaalsContact CZ3-CG2 3.4Å; W160-D446 HydrophobicContact CZ2-CB 4.43Å; W160-D446 PolarHBondContact NE1-OD2 3.34Å
161	F	94.6	Very high	90.5	Very high	23 Å²	23	52.8 Å²	52.8	10%	0.101	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-52.1	-169.4	-176.5	-93.8	0	0	0	112	S159 N163 E164 V165 I178 Q194 L196	S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 PolarHBondContact O-N 3.16Å; S159-F161 VanDerWaalsContact O-N 3.17Å; F161-N163 VanDerWaalsContact C-N 3.33Å; F161-N163 PolarHBondContact O-N 3.35Å; F161-E164 PolarHBondContact O-N 2.83Å; F161-V165 HydrophobicContact CD1-CG2 4.24Å; F161-V165 HydrophobicContact CE1-CG2 3.94Å; F161-V165 HydrophobicContact CZ-CG2 4.16Å; F161-V165 WeakPolarHBondContact O-CG2 3.33Å; F161-V165 PolarHBondContact O-N 3.15Å; F161-I178 HydrophobicContact CE1-CB 4.4Å; F161-I178 HydrophobicContact CE1-CD1 3.89Å; F161-I178 HydrophobicContact CE1-CG1 3.82Å; F161-I178 HydrophobicContact CE1-CG2 3.71Å; F161-I178 HydrophobicContact CZ-CG1 4.2Å; F161-I178 HydrophobicContact CZ-CG2 4.03Å; F161-Q194 HydrophobicContact CD1-CB 3.85Å; F161-Q194 VanDerWaalsContact CD1-OE1 3.26Å; F161-Q194 HydrophobicContact CD2-CB 4.22Å; F161-Q194 HydrophobicContact CE1-CB 3.55Å; F161-Q194 HydrophobicContact CE1-CG 4.45Å; F161-Q194 HydrophobicContact CE2-CB 3.96Å; F161-Q194 VanDerWaalsContact CE2-O 3.27Å; F161-Q194 WeakPolarHBondContact CE2-O 3.26Å; F161-Q194 HydrophobicContact CG-CB 4.18Å; F161-Q194 HydrophobicContact CZ-CB 3.62Å; F161-L196 HydrophobicContact CZ-CG 4.41Å
162	K	93.7	Very high	91.5	Very high	140 Å²	140	55.5 Å²	55.5	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-60.9	-44.6	175.9	-174.3	-166.6	169.3	-159.6	0	111.1	W160 E164 V165 E166	W160-K162 PolarHBondContact O-N 3.44Å; K162-E164 VanDerWaalsContact C-N 3.35Å; K162-E164 PolarHBondContact O-N 3.45Å; K162-V165 PolarHBondContact O-N 2.83Å; K162-E166 WeakPolarHBondContact O-CB 3.45Å; K162-E166 PolarHBondContact O-N 2.93Å
163	N	95.2	Very high	92.1	Very high	68 Å²	68	56.5 Å²	56.5	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-40.8	-177.5	-65.9	-10.2	0	0	0	111.7	S159 W160 F161 R167	S159-N163 VanDerWaalsContact O-CG 3.23Å; S159-N163 PolarHBondContact O-N 3.31Å; S159-N163 PolarHBondContact O-ND2 2.64Å; W160-N163 PolarHBondContact O-N 3.3Å; F161-N163 VanDerWaalsContact C-N 3.33Å; F161-N163 PolarHBondContact O-N 3.35Å; N163-R167 WeakPolarHBondContact O-CB 3.32Å; N163-R167 PolarHBondContact O-N 2.58Å
164	E	96.3	Very high	92.5	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-71	-40.5	177.3	-78.7	-78	82.9	0	0	112.6	W160 F161 K162 E166 R167 M168 Y430 V438	W160-E164 HydrophobicContact CE3-CB 4.24Å; W160-E164 HydrophobicContact CE3-CG 4.06Å; W160-E164 WeakPolarHBondContact O-CB 3.39Å; W160-E164 WeakPolarHBondContact O-CG 3.36Å; W160-E164 PolarHBondContact O-N 3.07Å; F161-E164 PolarHBondContact O-N 2.83Å; K162-E164 VanDerWaalsContact C-N 3.35Å; K162-E164 PolarHBondContact O-N 3.45Å; E164-E166 VanDerWaalsContact C-N 3.32Å; E164-E166 PolarHBondContact O-N 2.74Å; E164-R167 PolarHBondContact O-N 3.11Å; E164-R167 IonicContact OE1-CZ 2.75Å; E164-R167 IonicContact OE1-NE 3.94Å; E164-R167 PolarHBondContact OE1-NE 2.77Å; E164-R167 IonicContact OE1-NH2 3.12Å; E164-R167 PolarHBondContact OE1-NH2 3.39Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-M168 HydrophobicContact CB-CE 4.12Å; E164-M168 HydrophobicContact CG-CE 4.42Å; E164-M168 WeakPolarHBondContact O-CB 3.36Å; E164-M168 WeakPolarHBondContact O-CG 3.48Å; E164-M168 PolarHBondContact O-N 2.77Å; E164-M168 WeakPolarHBondContact OE2-CE 3.39Å; E164-Y430 VanDerWaalsContact OE2-CE1 3.24Å; E164-Y430 WeakPolarHBondContact OE2-CE1 3.4Å; E164-Y430 VanDerWaalsContact OE2-CZ 3.26Å; E164-Y430 PolarHBondContact OE2-OH 3.4Å; E164-V438 HydrophobicContact CG-CG1 4.06Å
165	V	95.9	Very high	93.1	Very high	15 Å²	15	59.1 Å²	59.1	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-47	173.6	173.7	0	0	0	0	110.5	F161 K162 G169 F170 T172 L196	F161-V165 HydrophobicContact CD1-CG2 4.24Å; F161-V165 HydrophobicContact CE1-CG2 3.94Å; F161-V165 HydrophobicContact CZ-CG2 4.16Å; F161-V165 WeakPolarHBondContact O-CG2 3.33Å; F161-V165 PolarHBondContact O-N 3.15Å; K162-V165 PolarHBondContact O-N 2.83Å; V165-G169 PolarHBondContact O-N 3.33Å; V165-F170 HydrophobicContact CG1-CB 4.41Å; V165-F170 PolarHBondContact O-N 3.19Å; V165-T172 HydrophobicContact CG1-CG2 3.74Å; V165-L196 HydrophobicContact CG2-CD1 3.9Å; V165-L196 HydrophobicContact CG2-CG 4.32Å
166	E	95.3	Very high	93.6	Very high	139 Å²	139	51.9 Å²	51.9	65%	0.65	27%	0.266	S	S	*	.	H	α-helix	trans	-69.8	-47.2	179.4	-171.1	170	167	0	0	111.8	K162 E164 M168 G169	K162-E166 WeakPolarHBondContact O-CB 3.45Å; K162-E166 PolarHBondContact O-N 2.93Å; E164-E166 VanDerWaalsContact C-N 3.32Å; E164-E166 PolarHBondContact O-N 2.74Å; E166-M168 PolarHBondContact O-N 2.89Å; E166-G169 PolarHBondContact O-N 3.45Å
167	R	96.4	Very high	93.9	Very high	62 Å²	62	52.4 Å²	52.4	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-38.6	-178.1	-170.5	-170.8	69.3	77.9	1.2	112.8	N163 E164 G169 Q226 D427 Y429 Y430	N163-R167 WeakPolarHBondContact O-CB 3.32Å; N163-R167 PolarHBondContact O-N 2.58Å; E164-R167 PolarHBondContact O-N 3.11Å; E164-R167 IonicContact OE1-CZ 2.75Å; E164-R167 IonicContact OE1-NE 3.94Å; E164-R167 PolarHBondContact OE1-NE 2.77Å; E164-R167 IonicContact OE1-NH2 3.12Å; E164-R167 PolarHBondContact OE1-NH2 3.39Å; E164-R167 IonicContact OE2-NH2 2.68Å; R167-G169 VanDerWaalsContact C-N 3.27Å; R167-Q226 PolarHBondContact O-NE2 3.42Å; R167-D427 IonicContact CZ-OD2 3.81Å; R167-D427 VanDerWaalsContact CZ-OD2 3.25Å; R167-D427 IonicContact NH1-OD1 2.73Å; R167-D427 PolarHBondContact NH1-OD1 3.25Å; R167-D427 IonicContact NH1-OD2 2.74Å; R167-D427 PolarHBondContact NH1-OD2 2.86Å; R167-D427 IonicContact NH2-OD2 3.56Å; R167-D427 PolarHBondContact NH2-OD2 2.83Å; R167-Y429 VanDerWaalsContact NE-CD1 3.32Å; R167-Y430 PolarHBondContact NH2-OH 3.41Å
168	M	95.8	Very high	94.3	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-77.3	-15.6	176	-63.7	-171.6	-146.8	0	0	113.4	E164 E166 F170 Y223 R224 Y430	E164-M168 HydrophobicContact CB-CE 4.12Å; E164-M168 HydrophobicContact CG-CE 4.42Å; E164-M168 WeakPolarHBondContact O-CB 3.36Å; E164-M168 WeakPolarHBondContact O-CG 3.48Å; E164-M168 PolarHBondContact O-N 2.77Å; E164-M168 WeakPolarHBondContact OE2-CE 3.39Å; E166-M168 PolarHBondContact O-N 2.89Å; M168-F170 HydrophobicContact CB-CD2 3.84Å; M168-F170 HydrophobicContact CB-CE2 3.66Å; M168-F170 HydrophobicContact CG-CE2 4.24Å; M168-F170 HydrophobicContact SD-CE2 3.71Å; M168-F170 HydrophobicContact SD-CZ 4.21Å; M168-Y223 HydrophobicContact CE-CD2 4.01Å; M168-Y223 VanDerWaalsContact SD-CA 3.6Å; M168-Y223 HydrophobicContact SD-CD2 3.66Å; M168-Y223 HydrophobicContact SD-CE2 4.21Å; M168-Y223 HydrophobicContact SD-CG 4.29Å; M168-R224 HydrophobicContact CB-CB 4.21Å; M168-R224 PolarHBondContact O-NH1 3.29Å; M168-R224 HydrophobicContact SD-CB 4.46Å; M168-R224 PolarHBondContact SD-N 3.12Å; M168-Y430 WeakPolarHBondContact CE-OH 3.06Å
169	G	95.3	Very high	94.8	Very high	24 Å²	24	51 Å²	51	25%	0.247	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	46.7	177.4	0	0	0	0	0	113.3	V165 E166 R167 R224	V165-G169 PolarHBondContact O-N 3.33Å; E166-G169 PolarHBondContact O-N 3.45Å; R167-G169 VanDerWaalsContact C-N 3.27Å; G169-R224 VanDerWaalsContact O-CZ 3.28Å; G169-R224 PolarHBondContact O-NE 3.03Å
170	F	95.3	Very high	95.2	Very high	15 Å²	15	52.8 Å²	52.8	7%	0.066	26%	0.261	C	S	.	.			trans	-65.2	133.3	170.5	-73.6	-90.6	0	0	0	111	V165 M168 T172 W176 L196 V221 R224 V231	V165-F170 HydrophobicContact CG1-CB 4.41Å; V165-F170 PolarHBondContact O-N 3.19Å; M168-F170 HydrophobicContact CB-CD2 3.84Å; M168-F170 HydrophobicContact CB-CE2 3.66Å; M168-F170 HydrophobicContact CG-CE2 4.24Å; M168-F170 HydrophobicContact SD-CE2 3.71Å; M168-F170 HydrophobicContact SD-CZ 4.21Å; F170-T172 HydrophobicContact CB-CG2 4.32Å; F170-T172 PolarHBondContact O-N 2.96Å; F170-W176 AromaticContact CD1-CD1 3.64Å; F170-W176 HydrophobicContact CD1-CD2 4.19Å; F170-W176 AromaticContact CD1-CG 3.88Å; F170-W176 HydrophobicContact CD1-CG 3.88Å; F170-W176 AromaticContact CD1-NE1 3.76Å; F170-L196 HydrophobicContact CD1-CD1 4.25Å; F170-L196 HydrophobicContact CD1-CD2 4.29Å; F170-L196 HydrophobicContact CD2-CD1 3.95Å; F170-L196 HydrophobicContact CE1-CD1 3.96Å; F170-L196 HydrophobicContact CE2-CD1 3.61Å; F170-L196 HydrophobicContact CG-CD1 4.25Å; F170-L196 HydrophobicContact CG-CD2 4.39Å; F170-L196 HydrophobicContact CZ-CD1 3.62Å; F170-V221 HydrophobicContact CE1-CG1 3.68Å; F170-V221 HydrophobicContact CZ-CG1 3.91Å; F170-R224 HydrophobicContact CD1-CB 4.09Å; F170-R224 HydrophobicContact CD1-CG 4.46Å; F170-R224 HydrophobicContact CD2-CB 4.33Å; F170-R224 HydrophobicContact CE1-CB 3.55Å; F170-R224 HydrophobicContact CE1-CG 4.32Å; F170-R224 HydrophobicContact CE2-CB 3.83Å; F170-R224 HydrophobicContact CG-CB 4.46Å; F170-R224 HydrophobicContact CZ-CB 3.4Å; F170-R224 VanDerWaalsContact CZ-CB 3.4Å; F170-V231 HydrophobicContact CE1-CG1 4.47Å
171	D	94.7	Very high	95.4	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	26%	0.263	C	S	.	.			trans	-74.4	93.1	166.5	-177.7	-9.9	0	0	0	110.3	Q173 N174 A175 W176 D264	D171-Q173 VanDerWaalsContact C-N 3.25Å; D171-Q173 PolarHBondContact O-N 3.25Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.41Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.43Å; D171-Q173 PolarHBondContact OD1-N 3.01Å; D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 2.98Å; D171-N174 WeakPolarHBondContact OD2-CB 3.41Å; D171-N174 PolarHBondContact OD2-ND2 3.4Å; D171-A175 HydrophobicContact CB-CB 4.15Å; D171-A175 PolarHBondContact O-N 3.2Å; D171-W176 PolarHBondContact O-N 3.04Å; D171-D264 PolarHBondContact N-OD2 3.29Å
172	T	94	Very high	95.6	Very high	69 Å²	69	51.7 Å²	51.7	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.7	176.2	54	0	0	0	0	114.4	V165 F170 W176	V165-T172 HydrophobicContact CG1-CG2 3.74Å; F170-T172 HydrophobicContact CB-CG2 4.32Å; F170-T172 PolarHBondContact O-N 2.96Å; T172-W176 CarbonylContact C-O 3.44Å; T172-W176 VanDerWaalsContact CA-O 3.32Å; T172-W176 WeakPolarHBondContact CA-O 3.29Å
173	Q	89.7	Confident	95.7	Very high	171 Å²	171	47.4 Å²	47.4	80%	0.799	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-36.2	177.5	-60.2	-176.4	10.4	0	0	111.9	D171	D171-Q173 VanDerWaalsContact C-N 3.25Å; D171-Q173 PolarHBondContact O-N 3.25Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.41Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.43Å; D171-Q173 PolarHBondContact OD1-N 3.01Å
174	N	91.7	Very high	95.8	Very high	100 Å²	100	51 Å²	51	54%	0.535	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-37.6	-173	-46.8	-79.4	0	0	0	114.7	D171	D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 2.98Å; D171-N174 WeakPolarHBondContact OD2-CB 3.41Å; D171-N174 PolarHBondContact OD2-ND2 3.4Å
175	A	95.3	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-41.7	-170.6	0	0	0	0	0	113.1	D171 P198 A199 A260 V263 D264	D171-A175 HydrophobicContact CB-CB 4.15Å; D171-A175 PolarHBondContact O-N 3.2Å; A175-P198 WeakPolarHBondContact O-CA 3.16Å; A175-A199 PolarHBondContact O-N 2.88Å; A175-A260 WeakPolarHBondContact O-CB 3.29Å; A175-V263 HydrophobicContact CB-CB 4.33Å; A175-V263 HydrophobicContact CB-CG1 4.1Å; A175-D264 HydrophobicContact CB-CB 3.73Å
176	W	97.6	Very high	95.8	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	160.1	-175.3	-52	98.1	0	0	0	111.3	F170 D171 T172 L196 V197 P198 V221 V231 I257 A260 D264	F170-W176 AromaticContact CD1-CD1 3.64Å; F170-W176 HydrophobicContact CD1-CD2 4.19Å; F170-W176 AromaticContact CD1-CG 3.88Å; F170-W176 HydrophobicContact CD1-CG 3.88Å; F170-W176 AromaticContact CD1-NE1 3.76Å; D171-W176 PolarHBondContact O-N 3.04Å; T172-W176 CarbonylContact C-O 3.44Å; T172-W176 VanDerWaalsContact CA-O 3.32Å; T172-W176 WeakPolarHBondContact CA-O 3.29Å; W176-L196 HydrophobicContact CB-CD2 4.1Å; W176-V197 CarbonylContact C-O 3.49Å; W176-V197 WeakPolarHBondContact CA-O 3.39Å; W176-P198 HydrophobicContact CE3-CG 4.45Å; W176-P198 HydrophobicContact CZ3-CG 4.01Å; W176-V221 HydrophobicContact CE3-CG2 4.37Å; W176-V221 HydrophobicContact CH2-CG2 3.98Å; W176-V221 HydrophobicContact CZ3-CB 4.4Å; W176-V221 HydrophobicContact CZ3-CG2 3.61Å; W176-V231 HydrophobicContact CH2-CG1 4.15Å; W176-V231 HydrophobicContact CH2-CG2 4.06Å; W176-V231 HydrophobicContact CZ2-CG1 3.7Å; W176-V231 HydrophobicContact CZ2-CG2 4.35Å; W176-I257 HydrophobicContact CH2-CG2 4.33Å; W176-A260 HydrophobicContact CD2-CB 4.11Å; W176-A260 HydrophobicContact CE3-CB 4Å; W176-A260 HydrophobicContact CH2-CB 3.49Å; W176-A260 VanDerWaalsContact CH2-CB 3.49Å; W176-A260 HydrophobicContact CZ2-CB 3.63Å; W176-A260 HydrophobicContact CZ3-CB 3.69Å; W176-D264 VanDerWaalsContact CD1-OD2 3.25Å; W176-D264 PolarHBondContact NE1-OD2 2.97Å
177	R	97.2	Very high	95.9	Very high	48 Å²	48	54.7 Å²	54.7	18%	0.181	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.1	163.2	68	177.8	-175.8	96.6	2.9	110.3	V197 I201 D203	R177-V197 HydrophobicContact CG-CG2 3.67Å; R177-V197 PolarHBondContact N-O 2.87Å; R177-V197 PolarHBondContact O-N 2.83Å; R177-V197 VanDerWaalsContact O-N 3.09Å; R177-I201 PolarHBondContact NE-O 2.76Å; R177-I201 PolarHBondContact NH2-O 3.26Å; R177-D203 IonicContact CZ-OD1 2.72Å; R177-D203 VanDerWaalsContact CZ-OD1 3.24Å; R177-D203 IonicContact NH1-OD1 2.77Å; R177-D203 PolarHBondContact NH1-OD1 2.83Å; R177-D203 IonicContact NH1-OD2 3.19Å; R177-D203 IonicContact NH2-OD1 2.68Å; R177-D203 PolarHBondContact NH2-OD1 2.93Å
178	I	97.8	Very high	96	Very high	61 Å²	61	51.7 Å²	51.7	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.7	160.2	-60.9	165.1	0	0	0	106.6	F161 Q194	F161-I178 HydrophobicContact CE1-CB 4.4Å; F161-I178 HydrophobicContact CE1-CD1 3.89Å; F161-I178 HydrophobicContact CE1-CG1 3.82Å; F161-I178 HydrophobicContact CE1-CG2 3.71Å; F161-I178 HydrophobicContact CZ-CG1 4.2Å; F161-I178 HydrophobicContact CZ-CG2 4.03Å; I178-Q194 HydrophobicContact CG2-CB 4.06Å; I178-Q194 HydrophobicContact CG2-CG 4.43Å
179	S	97.4	Very high	96.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.8	169	177.8	0	0	0	0	109.8	I181 L195 D203	S179-I181 VanDerWaalsContact C-N 3.27Å; S179-I181 VanDerWaalsContact OG-CB 3.25Å; S179-I181 WeakPolarHBondContact OG-CB 3.19Å; S179-I181 WeakPolarHBondContact OG-CG2 3.47Å; S179-I181 PolarHBondContact OG-N 3.16Å; S179-L195 PolarHBondContact N-O 2.8Å; S179-L195 PolarHBondContact O-N 2.78Å; S179-D203 PolarHBondContact OG-OD1 2.69Å
180	D	97.1	Very high	96.2	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	27%	0.268	S	S	.	.			trans	-89.5	12.5	172.8	-59.2	-65.1	0	0	0	112.3	N182 S183 Q194	D180-N182 PolarHBondContact O-N 3.45Å; D180-N182 VanDerWaalsContact O-N 3.12Å; D180-S183 WeakPolarHBondContact O-CB 3.44Å; D180-S183 PolarHBondContact O-N 2.67Å; D180-S183 PolarHBondContact O-OG 3.11Å; D180-Q194 PolarHBondContact OD1-NE2 3.47Å
181	I	97.7	Very high	96.4	Very high	34 Å²	34	53.7 Å²	53.7	17%	0.174	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.7	179.8	-162.6	173.4	0	0	0	112.7	S179 L187 D203 L206 E207 F218	S179-I181 VanDerWaalsContact C-N 3.27Å; S179-I181 VanDerWaalsContact OG-CB 3.25Å; S179-I181 WeakPolarHBondContact OG-CB 3.19Å; S179-I181 WeakPolarHBondContact OG-CG2 3.47Å; S179-I181 PolarHBondContact OG-N 3.16Å; I181-L187 HydrophobicContact CD1-CD2 3.55Å; I181-L187 HydrophobicContact CG1-CD2 3.99Å; I181-L187 HydrophobicContact CG2-CD2 4.13Å; I181-D203 HydrophobicContact CD1-CB 3.65Å; I181-D203 WeakPolarHBondContact CD1-O 3.44Å; I181-D203 HydrophobicContact CG1-CB 4.23Å; I181-L206 HydrophobicContact CD1-CB 3.84Å; I181-L206 HydrophobicContact CD1-CD1 4.41Å; I181-L206 HydrophobicContact CG2-CD1 4.19Å; I181-E207 HydrophobicContact CD1-CG 4.17Å; I181-F218 HydrophobicContact CG2-CZ 4.38Å
182	N	98.1	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	11.9	179.4	-152.7	47.8	0	0	0	113.5	D180 K184 F185 L187 C188 Y191 P192 Q193 L195	D180-N182 PolarHBondContact O-N 3.45Å; D180-N182 VanDerWaalsContact O-N 3.12Å; N182-K184 PolarHBondContact O-N 3.19Å; N182-F185 WeakPolarHBondContact O-CA 3.39Å; N182-F185 PolarHBondContact O-N 2.88Å; N182-F185 WeakPolarHBondContact OD1-CA 3.36Å; N182-L187 PolarHBondContact OD1-N 3.29Å; N182-L187 VanDerWaalsContact OD1-N 3.16Å; N182-C188 PolarHBondContact ND2-O 2.82Å; N182-C188 PolarHBondContact OD1-N 3.19Å; N182-C188 PolarHBondContact OD1-O 2.92Å; N182-Y191 PolarHBondContact ND2-O 3.37Å; N182-P192 PolarHBondContact ND2-O 3.34Å; N182-Q193 CarbonylContact C-O 3.21Å; N182-Q193 WeakPolarHBondContact O-CA 3.44Å; N182-L195 HydrophobicContact CB-CD1 4.02Å
183	S	97.1	Very high	96.6	Very high	50 Å²	50	52.2 Å²	52.2	35%	0.35	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-10.7	-177.1	54.7	0	0	0	0	115.7	D180 Q193	D180-S183 WeakPolarHBondContact O-CB 3.44Å; D180-S183 PolarHBondContact O-N 2.67Å; D180-S183 PolarHBondContact O-OG 3.11Å; S183-Q193 WeakPolarHBondContact CA-O 3.45Å; S183-Q193 PolarHBondContact N-O 2.86Å
184	K	95.9	Very high	97	Very high	143 Å²	143	47.3 Å²	47.3	62%	0.622	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.9	23.4	174.6	-57.5	-173.5	-179.1	-175	0	112.2	N182 R186	N182-K184 PolarHBondContact O-N 3.19Å; K184-R186 HydrophobicContact CB-CG 4.1Å; K184-R186 WeakPolarHBondContact O-CG 3.43Å; K184-R186 PolarHBondContact O-N 2.89Å
185	F	97.4	Very high	97.3	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.066	21%	0.205	C	C	.	.	S	Bend	trans	52.9	23	-177.9	-53.3	-83.1	0	0	0	115.1	N182 Y191 Q193 K517 E520	N182-F185 WeakPolarHBondContact O-CA 3.39Å; N182-F185 PolarHBondContact O-N 2.88Å; N182-F185 WeakPolarHBondContact OD1-CA 3.36Å; F185-Y191 WeakPolarHBondContact CD1-O 3.42Å; F185-Y191 WeakPolarHBondContact CE1-O 3.36Å; F185-Q193 HydrophobicContact CE1-CG 3.85Å; F185-Q193 HydrophobicContact CE2-CG 3.77Å; F185-Q193 HydrophobicContact CZ-CG 3.4Å; F185-Q193 VanDerWaalsContact CZ-CG 3.4Å; F185-K517 HydrophobicContact CB-CB 3.95Å; F185-K517 HydrophobicContact CB-CD 3.72Å; F185-K517 HydrophobicContact CB-CG 3.68Å; F185-K517 HydrophobicContact CD1-CB 3.79Å; F185-K517 HydrophobicContact CD1-CG 4.37Å; F185-K517 HydrophobicContact CD2-CB 3.86Å; F185-K517 HydrophobicContact CD2-CG 3.66Å; F185-K517 HydrophobicContact CE1-CB 4.17Å; F185-K517 HydrophobicContact CE2-CB 4.23Å; F185-K517 HydrophobicContact CE2-CG 4.32Å; F185-K517 HydrophobicContact CG-CB 3.6Å; F185-K517 HydrophobicContact CG-CD 4.27Å; F185-K517 HydrophobicContact CG-CG 3.66Å; F185-K517 HydrophobicContact CZ-CB 4.36Å; F185-E520 VanDerWaalsContact CE2-OE2 3.27Å; F185-E520 WeakPolarHBondContact CE2-OE2 3.19Å
186	R	95.8	Very high	97.4	Very high	205 Å²	205	43 Å²	43	77%	0.774	21%	0.207	S	C	*	.			trans	-77.5	-30.9	-171.4	-71.4	-176.9	175.2	-167.4	-5.1	113.6	K184	K184-R186 HydrophobicContact CB-CG 4.1Å; K184-R186 WeakPolarHBondContact O-CG 3.43Å; K184-R186 PolarHBondContact O-N 2.89Å
187	L	97.6	Very high	97.4	Very high	21 Å²	21	43 Å²	43	11%	0.11	21%	0.207	C	C	.	.	S	Bend	trans	-87	-51.9	-178.4	-174.2	56.4	0	0	0	110.8	I181 N182 E207 A210 K216 F218	I181-L187 HydrophobicContact CD1-CD2 3.55Å; I181-L187 HydrophobicContact CG1-CD2 3.99Å; I181-L187 HydrophobicContact CG2-CD2 4.13Å; N182-L187 PolarHBondContact OD1-N 3.29Å; N182-L187 VanDerWaalsContact OD1-N 3.16Å; L187-E207 HydrophobicContact CD1-CG 4.5Å; L187-A210 HydrophobicContact CD1-CB 3.6Å; L187-A210 HydrophobicContact CD2-CB 4.02Å; L187-A210 HydrophobicContact CG-CB 3.82Å; L187-K216 VanDerWaalsContact O-CB 3.31Å; L187-K216 WeakPolarHBondContact O-CB 3.44Å; L187-K216 WeakPolarHBondContact O-CD 3.32Å; L187-F218 HydrophobicContact CD2-CD1 4.35Å; L187-F218 HydrophobicContact CD2-CE1 3.72Å; L187-F218 HydrophobicContact CD2-CZ 4.45Å; L187-F218 HydrophobicContact CG-CE1 4.3Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.			trans	-132.6	103.4	175.6	-176	0	0	0	0	110.1	N182 S190 Y191 W215 K216 R217	N182-C188 PolarHBondContact ND2-O 2.82Å; N182-C188 PolarHBondContact OD1-N 3.19Å; N182-C188 PolarHBondContact OD1-O 2.92Å; C188-S190 PolarHBondContact O-N 3.03Å; C188-S190 VanDerWaalsContact O-N 3.1Å; C188-Y191 HydrophobicContact CB-CD2 4.19Å; C188-Y191 HydrophobicContact CB-CG 4.1Å; C188-Y191 PolarHBondContact O-N 3.35Å; C188-W215 PolarHBondContact SG-O 3.32Å; C188-K216 HydrophobicContact CB-CB 4.2Å; C188-K216 WeakPolarHBondContact CB-O 3.28Å; C188-R217 WeakPolarHBondContact SG-CG 3.27Å
189	P	97.8	Very high	97.5	Very high	64 Å²	64	39.5 Å²	39.5	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	-179.5	-28.8	36.9	0	0	0	115.9	K517	P189-K517 HydrophobicContact CB-CD 4.14Å
190	S	97.9	Very high	97.5	Very high	17 Å²	17	44 Å²	44	12%	0.119	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	12	-177.5	59.2	0	0	0	0	113.9	C188 R217 F447 G448	C188-S190 PolarHBondContact O-N 3.03Å; C188-S190 VanDerWaalsContact O-N 3.1Å; S190-R217 VanDerWaalsContact CB-NH1 3.29Å; S190-R217 PolarHBondContact O-NH1 3.07Å; S190-R217 WeakPolarHBondContact OG-CD 3.22Å; S190-R217 PolarHBondContact OG-NH1 2.95Å; S190-F447 CarbonylContact O-C 3.5Å; S190-G448 PolarHBondContact O-N 3.26Å
191	Y	98.3	Very high	97.5	Very high	2 Å²	2	40 Å²	40	1%	0.008	19%	0.193	C	C	.	.	S	Bend	trans	-110.6	158.8	172.8	-90.7	12.2	0	0	0	110.9	N182 F185 C188 L195 R217 F218 A220 R234 D446 F447	N182-Y191 PolarHBondContact ND2-O 3.37Å; F185-Y191 WeakPolarHBondContact CD1-O 3.42Å; F185-Y191 WeakPolarHBondContact CE1-O 3.36Å; C188-Y191 HydrophobicContact CB-CD2 4.19Å; C188-Y191 HydrophobicContact CB-CG 4.1Å; C188-Y191 PolarHBondContact O-N 3.35Å; Y191-L195 HydrophobicContact CD2-CD1 3.75Å; Y191-L195 HydrophobicContact CD2-CD2 3.81Å; Y191-L195 HydrophobicContact CD2-CG 4.46Å; Y191-L195 HydrophobicContact CE2-CD2 4.33Å; Y191-L195 HydrophobicContact CG-CD2 4.35Å; Y191-R217 HydrophobicContact CD1-CB 4.44Å; Y191-R217 HydrophobicContact CD1-CG 4.05Å; Y191-R217 HydrophobicContact CE1-CB 3.66Å; Y191-R217 HydrophobicContact CE1-CG 3.71Å; Y191-R217 VanDerWaalsContact OH-C 3.28Å; Y191-R217 PolarHBondContact OH-O 3.3Å; Y191-F218 HydrophobicContact CD2-CE1 4.41Å; Y191-F218 HydrophobicContact CE2-CD1 4.38Å; Y191-F218 HydrophobicContact CE2-CG 4.46Å; Y191-F218 VanDerWaalsContact CE2-O 3.27Å; Y191-F218 WeakPolarHBondContact CE2-O 3.5Å; Y191-F218 PolarHBondContact OH-O 3.01Å; Y191-A220 HydrophobicContact CE2-CB 4.22Å; Y191-R234 PolarHBondContact OH-O 3.07Å; Y191-D446 CarbonylContact C-O 3.58Å; Y191-F447 AromaticContact CD1-CD1 3.62Å; Y191-F447 HydrophobicContact CD1-CD1 3.62Å; Y191-F447 AromaticContact CD1-CE1 3.87Å; Y191-F447 HydrophobicContact CD1-CE1 3.87Å; Y191-F447 HydrophobicContact CD2-CE1 4.38Å; Y191-F447 AromaticContact CE1-CD1 3.6Å; Y191-F447 HydrophobicContact CE1-CD1 3.6Å; Y191-F447 AromaticContact CE1-CE1 3.77Å; Y191-F447 HydrophobicContact CE1-CE1 3.77Å; Y191-F447 HydrophobicContact CE2-CE1 4.29Å; Y191-F447 HydrophobicContact CG-CD1 4.28Å; Y191-F447 HydrophobicContact CG-CE1 4.16Å; Y191-F447 AromaticContact CZ-CE1 3.97Å
192	P	97.3	Very high	97.6	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	21%	0.205	C	C	.	.			trans	-59.3	164.6	171.5	23.4	-33.2	0	0	0	113	W160 N182 Q194 L195 D446 F447	W160-P192 HydrophobicContact CZ2-CB 4.43Å; N182-P192 PolarHBondContact ND2-O 3.34Å; P192-Q194 VanDerWaalsContact C-N 3.33Å; P192-Q194 PolarHBondContact O-N 2.93Å; P192-L195 HydrophobicContact CG-CD2 3.74Å; P192-L195 HydrophobicContact CG-CG 4.47Å; P192-D446 HydrophobicContact CB-CB 4.24Å; P192-D446 WeakPolarHBondContact CD-O 3.4Å; P192-F447 HydrophobicContact CG-CD2 4.27Å; P192-F447 HydrophobicContact CG-CE1 4.31Å; P192-F447 HydrophobicContact CG-CE2 3.85Å; P192-F447 HydrophobicContact CG-CZ 3.87Å
193	Q	96.9	Very high	97.6	Very high	74 Å²	74	44.7 Å²	44.7	35%	0.346	22%	0.221	S	C	.	.	S	Bend	trans	-62.1	-37.6	177.2	-69.9	-171	4.6	0	0	113	N182 S183 F185 E520	N182-Q193 CarbonylContact C-O 3.21Å; N182-Q193 WeakPolarHBondContact O-CA 3.44Å; S183-Q193 WeakPolarHBondContact CA-O 3.45Å; S183-Q193 PolarHBondContact N-O 2.86Å; F185-Q193 HydrophobicContact CE1-CG 3.85Å; F185-Q193 HydrophobicContact CE2-CG 3.77Å; F185-Q193 HydrophobicContact CZ-CG 3.4Å; F185-Q193 VanDerWaalsContact CZ-CG 3.4Å; Q193-E520 PolarHBondContact NE2-OE2 3Å
194	Q	97.2	Very high	97.6	Very high	68 Å²	68	47.2 Å²	47.2	32%	0.318	23%	0.225	S	C	.	.	S	Bend	trans	-118.4	141.6	-178	-59.7	-167.6	-62.9	0	0	110.9	F161 I178 D180 P192	F161-Q194 HydrophobicContact CD1-CB 3.85Å; F161-Q194 VanDerWaalsContact CD1-OE1 3.26Å; F161-Q194 HydrophobicContact CD2-CB 4.22Å; F161-Q194 HydrophobicContact CE1-CB 3.55Å; F161-Q194 HydrophobicContact CE1-CG 4.45Å; F161-Q194 HydrophobicContact CE2-CB 3.96Å; F161-Q194 VanDerWaalsContact CE2-O 3.27Å; F161-Q194 WeakPolarHBondContact CE2-O 3.26Å; F161-Q194 HydrophobicContact CG-CB 4.18Å; F161-Q194 HydrophobicContact CZ-CB 3.62Å; I178-Q194 HydrophobicContact CG2-CB 4.06Å; I178-Q194 HydrophobicContact CG2-CG 4.43Å; D180-Q194 PolarHBondContact OD1-NE2 3.47Å; P192-Q194 VanDerWaalsContact C-N 3.33Å; P192-Q194 PolarHBondContact O-N 2.93Å
195	L	97.6	Very high	97.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.4	-172.7	-68.1	160.8	0	0	0	111.3	S179 N182 Y191 P192 F218 A220 F447	S179-L195 PolarHBondContact N-O 2.8Å; S179-L195 PolarHBondContact O-N 2.78Å; N182-L195 HydrophobicContact CB-CD1 4.02Å; Y191-L195 HydrophobicContact CD2-CD1 3.75Å; Y191-L195 HydrophobicContact CD2-CD2 3.81Å; Y191-L195 HydrophobicContact CD2-CG 4.46Å; Y191-L195 HydrophobicContact CE2-CD2 4.33Å; Y191-L195 HydrophobicContact CG-CD2 4.35Å; P192-L195 HydrophobicContact CG-CD2 3.74Å; P192-L195 HydrophobicContact CG-CG 4.47Å; L195-F218 HydrophobicContact CD1-CE1 4.07Å; L195-F218 HydrophobicContact CD1-CE2 4.12Å; L195-F218 HydrophobicContact CD1-CZ 3.43Å; L195-F218 VanDerWaalsContact CD1-CZ 3.43Å; L195-A220 HydrophobicContact CD2-CB 3.86Å; L195-F447 HydrophobicContact CD2-CE1 4.09Å; L195-F447 HydrophobicContact CD2-CZ 3.92Å
196	L	98	Very high	97.8	Very high	8 Å²	8	41 Å²	41	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.3	176.3	-92.2	163.8	0	0	0	111.2	F161 V165 F170 W176 V221	F161-L196 HydrophobicContact CZ-CG 4.41Å; V165-L196 HydrophobicContact CG2-CD1 3.9Å; V165-L196 HydrophobicContact CG2-CG 4.32Å; F170-L196 HydrophobicContact CD1-CD1 4.25Å; F170-L196 HydrophobicContact CD1-CD2 4.29Å; F170-L196 HydrophobicContact CD2-CD1 3.95Å; F170-L196 HydrophobicContact CE1-CD1 3.96Å; F170-L196 HydrophobicContact CE2-CD1 3.61Å; F170-L196 HydrophobicContact CG-CD1 4.25Å; F170-L196 HydrophobicContact CG-CD2 4.39Å; F170-L196 HydrophobicContact CZ-CD1 3.62Å; W176-L196 HydrophobicContact CB-CD2 4.1Å; L196-V221 HydrophobicContact CB-CB 4.27Å; L196-V221 WeakPolarHBondContact CB-O 3.18Å; L196-V221 PolarHBondContact O-N 3.16Å
197	V	98.3	Very high	97.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.5	-179.2	-61.5	0	0	0	0	110.8	W176 R177 L206 F218	W176-V197 CarbonylContact C-O 3.49Å; W176-V197 WeakPolarHBondContact CA-O 3.39Å; R177-V197 HydrophobicContact CG-CG2 3.67Å; R177-V197 PolarHBondContact N-O 2.87Å; R177-V197 PolarHBondContact O-N 2.83Å; R177-V197 VanDerWaalsContact O-N 3.09Å; V197-L206 HydrophobicContact CG1-CD1 4.13Å; V197-L206 HydrophobicContact CG1-CD2 4.13Å; V197-L206 HydrophobicContact CG2-CD1 4.32Å; V197-F218 HydrophobicContact CG1-CE2 4.21Å
198	P	98.1	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	140.9	175.6	-25.1	35.4	0	0	0	112.6	A175 W176 W200 I201 L253 I257 A260	A175-P198 WeakPolarHBondContact O-CA 3.16Å; W176-P198 HydrophobicContact CE3-CG 4.45Å; W176-P198 HydrophobicContact CZ3-CG 4.01Å; P198-W200 VanDerWaalsContact C-N 3.26Å; P198-W200 HydrophobicContact CB-CD2 4.5Å; P198-W200 HydrophobicContact CB-CZ2 4.04Å; P198-W200 PolarHBondContact O-N 2.81Å; P198-W200 VanDerWaalsContact O-N 3.12Å; P198-I201 HydrophobicContact CB-CG1 3.97Å; P198-I201 HydrophobicContact CG-CG1 4.17Å; P198-I201 PolarHBondContact O-N 3.19Å; P198-I201 VanDerWaalsContact O-N 3.1Å; P198-L253 HydrophobicContact CG-CD1 4.25Å; P198-I257 HydrophobicContact CG-CG1 3.99Å; P198-A260 HydrophobicContact CB-CB 4.04Å; P198-A260 HydrophobicContact CG-CB 4.3Å
199	A	97.6	Very high	98	Very high	34 Å²	34	37.6 Å²	37.6	28%	0.281	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	-168.9	0	0	0	0	0	114.7	A175	A175-A199 PolarHBondContact O-N 2.88Å
200	W	97.4	Very high	98	Very high	95 Å²	95	34.6 Å²	34.6	36%	0.36	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.7	-178.4	55	80.6	0	0	0	114.8	P198 T202 S256 K259 A260	P198-W200 VanDerWaalsContact C-N 3.26Å; P198-W200 HydrophobicContact CB-CD2 4.5Å; P198-W200 HydrophobicContact CB-CZ2 4.04Å; P198-W200 PolarHBondContact O-N 2.81Å; P198-W200 VanDerWaalsContact O-N 3.12Å; W200-T202 PolarHBondContact O-N 3.29Å; W200-S256 VanDerWaalsContact NE1-CB 3.34Å; W200-S256 PolarHBondContact NE1-OG 3.49Å; W200-K259 HydrophobicContact CH2-CB 4.07Å; W200-K259 HydrophobicContact CZ2-CB 3.72Å; W200-K259 HydrophobicContact CZ2-CD 4.45Å; W200-A260 HydrophobicContact CH2-CB 3.78Å; W200-A260 HydrophobicContact CZ2-CB 4.21Å
201	I	98.2	Very high	98	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.198	C	C	.	.			trans	-73.3	123.1	174.6	-66.4	-70.1	0	0	0	108.1	R177 P198 E205 L206 H252 L253	R177-I201 PolarHBondContact NE-O 2.76Å; R177-I201 PolarHBondContact NH2-O 3.26Å; P198-I201 HydrophobicContact CB-CG1 3.97Å; P198-I201 HydrophobicContact CG-CG1 4.17Å; P198-I201 PolarHBondContact O-N 3.19Å; P198-I201 VanDerWaalsContact O-N 3.1Å; I201-E205 WeakPolarHBondContact CD1-OE1 3.41Å; I201-E205 HydrophobicContact CG2-CB 4.1Å; I201-L206 HydrophobicContact CG2-CD2 3.74Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; I201-H252 WeakPolarHBondContact CD1-ND1 3.39Å; I201-L253 HydrophobicContact CD1-CB 4.37Å; I201-L253 HydrophobicContact CD1-CD1 4.46Å; I201-L253 HydrophobicContact CG1-CD1 3.99Å; I201-L253 HydrophobicContact CG2-CD1 4.26Å
202	T	98.1	Very high	98	Very high	70 Å²	70	38.1 Å²	38.1	43%	0.429	20%	0.201	S	C	.	.			trans	-79.2	156.6	-179.3	65.8	0	0	0	0	112.4	W200 K204 E205 L206	W200-T202 PolarHBondContact O-N 3.29Å; T202-K204 PolarHBondContact O-N 2.96Å; T202-E205 VanDerWaalsContact CB-OE2 3.31Å; T202-E205 WeakPolarHBondContact CB-OE2 3.41Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.15Å; T202-E205 PolarHBondContact N-OE2 3.44Å; T202-E205 PolarHBondContact O-N 3.44Å; T202-E205 PolarHBondContact OG1-N 2.77Å; T202-E205 PolarHBondContact OG1-OE2 3.24Å; T202-L206 PolarHBondContact O-N 3.37Å; T202-L206 VanDerWaalsContact O-N 3.14Å
203	D	98	Very high	98	Very high	62 Å²	62	37.9 Å²	37.9	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-26	172.9	-74.8	-23.1	0	0	0	112.2	R177 S179 I181 L206 E207	R177-D203 IonicContact CZ-OD1 2.72Å; R177-D203 VanDerWaalsContact CZ-OD1 3.24Å; R177-D203 IonicContact NH1-OD1 2.77Å; R177-D203 PolarHBondContact NH1-OD1 2.83Å; R177-D203 IonicContact NH1-OD2 3.19Å; R177-D203 IonicContact NH2-OD1 2.68Å; R177-D203 PolarHBondContact NH2-OD1 2.93Å; S179-D203 PolarHBondContact OG-OD1 2.69Å; I181-D203 HydrophobicContact CD1-CB 3.65Å; I181-D203 WeakPolarHBondContact CD1-O 3.44Å; I181-D203 HydrophobicContact CG1-CB 4.23Å; D203-L206 PolarHBondContact O-N 2.86Å; D203-E207 PolarHBondContact O-N 2.97Å
204	K	98.1	Very high	98	Very high	104 Å²	104	34.9 Å²	34.9	45%	0.452	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-38.3	174.2	-178.9	68	-133.2	94.4	0	112.5	T202 E207 N208	T202-K204 PolarHBondContact O-N 2.96Å; K204-E207 IonicContact NZ-OE2 2.86Å; K204-E207 PolarHBondContact NZ-OE2 2.8Å; K204-N208 WeakPolarHBondContact CE-OD1 3.44Å; K204-N208 PolarHBondContact NZ-OD1 3.03Å; K204-N208 PolarHBondContact O-N 3.45Å
205	E	98.5	Very high	98	Very high	28 Å²	28	38.9 Å²	38.9	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-45.7	169.4	-75.6	157.8	97.5	0	0	110.1	I201 T202 E207 N208 V209 D249 H252	I201-E205 WeakPolarHBondContact CD1-OE1 3.41Å; I201-E205 HydrophobicContact CG2-CB 4.1Å; T202-E205 VanDerWaalsContact CB-OE2 3.31Å; T202-E205 WeakPolarHBondContact CB-OE2 3.41Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.15Å; T202-E205 PolarHBondContact N-OE2 3.44Å; T202-E205 PolarHBondContact O-N 3.44Å; T202-E205 PolarHBondContact OG1-N 2.77Å; T202-E205 PolarHBondContact OG1-OE2 3.24Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 2.88Å; E205-N208 WeakPolarHBondContact O-CA 3.38Å; E205-N208 WeakPolarHBondContact O-CB 3.37Å; E205-N208 PolarHBondContact O-N 2.87Å; E205-V209 WeakPolarHBondContact O-CG2 3.31Å; E205-V209 PolarHBondContact O-N 3.48Å; E205-D249 HydrophobicContact CB-CB 4.18Å; E205-D249 HydrophobicContact CG-CB 4.21Å; E205-H252 IonicContact OE1-CE1 2.7Å; E205-H252 PolarHBondContact OE1-CE1 3.38Å; E205-H252 IonicContact OE1-ND1 3.71Å; E205-H252 PolarHBondContact OE1-ND1 2.93Å
206	L	98.6	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-37.6	178.9	-63.1	-176.8	0	0	0	113.2	I181 V197 I201 T202 D203 N208 A210 F218 L253	I181-L206 HydrophobicContact CD1-CB 3.84Å; I181-L206 HydrophobicContact CD1-CD1 4.41Å; I181-L206 HydrophobicContact CG2-CD1 4.19Å; V197-L206 HydrophobicContact CG1-CD1 4.13Å; V197-L206 HydrophobicContact CG1-CD2 4.13Å; V197-L206 HydrophobicContact CG2-CD1 4.32Å; I201-L206 HydrophobicContact CG2-CD2 3.74Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; T202-L206 PolarHBondContact O-N 3.37Å; T202-L206 VanDerWaalsContact O-N 3.14Å; D203-L206 PolarHBondContact O-N 2.86Å; L206-N208 VanDerWaalsContact C-N 3.35Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.05Å; L206-F218 HydrophobicContact CD1-CE2 4.12Å; L206-F218 HydrophobicContact CD1-CZ 4.23Å; L206-F218 HydrophobicContact CD2-CD2 4.02Å; L206-F218 HydrophobicContact CD2-CE2 3.88Å; L206-F218 HydrophobicContact CG-CE2 4.43Å; L206-L253 HydrophobicContact CD2-CD2 4.15Å
207	E	98.4	Very high	98.1	Very high	96 Å²	96	43.3 Å²	43.3	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-42.8	171.4	-72.3	-178.7	158.8	0	0	112.7	I181 L187 D203 K204 E205 A211	I181-E207 HydrophobicContact CD1-CG 4.17Å; L187-E207 HydrophobicContact CD1-CG 4.5Å; D203-E207 PolarHBondContact O-N 2.97Å; K204-E207 IonicContact NZ-OE2 2.86Å; K204-E207 PolarHBondContact NZ-OE2 2.8Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 2.88Å; E207-A211 PolarHBondContact O-N 3.1Å; E207-A211 VanDerWaalsContact O-N 3.11Å
208	N	98.4	Very high	98.1	Very high	58 Å²	58	43.2 Å²	43.2	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-71.6	-39.3	-179	-67.3	-9.5	0	0	0	111.3	K204 E205 L206 A211 N247 D249	K204-N208 WeakPolarHBondContact CE-OD1 3.44Å; K204-N208 PolarHBondContact NZ-OD1 3.03Å; K204-N208 PolarHBondContact O-N 3.45Å; E205-N208 WeakPolarHBondContact O-CA 3.38Å; E205-N208 WeakPolarHBondContact O-CB 3.37Å; E205-N208 PolarHBondContact O-N 2.87Å; L206-N208 VanDerWaalsContact C-N 3.35Å; N208-A211 PolarHBondContact O-N 3.5Å; N208-N247 PolarHBondContact O-ND2 3.28Å; N208-D249 HydrophobicContact CB-CB 4.36Å; N208-D249 WeakPolarHBondContact CB-OD2 3.37Å; N208-D249 PolarHBondContact ND2-OD2 3.29Å
209	V	98.6	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-46.8	173.7	175.6	0	0	0	0	110.9	E205 A211 F212 R213 F218 D249 D250 L253	E205-V209 WeakPolarHBondContact O-CG2 3.31Å; E205-V209 PolarHBondContact O-N 3.48Å; V209-A211 PolarHBondContact O-N 3.03Å; V209-F212 CarbonylContact O-C 3.09Å; V209-F212 WeakPolarHBondContact O-CA 3.39Å; V209-F212 PolarHBondContact O-N 3.46Å; V209-R213 HydrophobicContact CG1-CG 4.04Å; V209-R213 PolarHBondContact O-N 3.26Å; V209-F218 HydrophobicContact CB-CB 4.44Å; V209-F218 HydrophobicContact CG1-CB 3.64Å; V209-D249 VanDerWaalsContact CG2-C 3.42Å; V209-D249 HydrophobicContact CG2-CB 3.8Å; V209-D249 WeakPolarHBondContact CG2-O 3.42Å; V209-D250 HydrophobicContact CG1-CB 4.17Å; V209-D250 VanDerWaalsContact CG1-OD1 3.27Å; V209-D250 WeakPolarHBondContact CG1-OD1 3.49Å; V209-D250 HydrophobicContact CG2-CB 4.21Å; V209-L253 HydrophobicContact CG1-CD2 3.92Å; V209-L253 HydrophobicContact CG2-CB 4.43Å; V209-L253 HydrophobicContact CG2-CD2 4.26Å
210	A	98.4	Very high	98.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-33.9	176.7	0	0	0	0	0	111.9	L187 L206 F212 R213 K216 F218	L187-A210 HydrophobicContact CD1-CB 3.6Å; L187-A210 HydrophobicContact CD2-CB 4.02Å; L187-A210 HydrophobicContact CG-CB 3.82Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.05Å; A210-F212 PolarHBondContact O-N 2.69Å; A210-R213 PolarHBondContact O-N 2.82Å; A210-K216 HydrophobicContact CB-CB 4.09Å; A210-K216 WeakPolarHBondContact O-CA 3.46Å; A210-K216 WeakPolarHBondContact O-CG 3.48Å; A210-F218 HydrophobicContact CB-CD1 4.01Å
211	A	97.7	Very high	98.2	Very high	77 Å²	77	37.3 Å²	37.3	64%	0.636	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.4	173.8	0	0	0	0	0	114.7	E207 N208 V209	E207-A211 PolarHBondContact O-N 3.1Å; E207-A211 VanDerWaalsContact O-N 3.11Å; N208-A211 PolarHBondContact O-N 3.5Å; V209-A211 PolarHBondContact O-N 3.03Å
212	F	97.9	Very high	98.2	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.066	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-7.6	177.2	176	-109.1	0	0	0	113.6	V209 A210 P238 E239 V240 W245 N247 D250	V209-F212 CarbonylContact O-C 3.09Å; V209-F212 WeakPolarHBondContact O-CA 3.39Å; V209-F212 PolarHBondContact O-N 3.46Å; A210-F212 PolarHBondContact O-N 2.69Å; F212-P238 HydrophobicContact CD1-CB 4.23Å; F212-P238 HydrophobicContact CE1-CB 3.51Å; F212-P238 HydrophobicContact CZ-CB 3.77Å; F212-E239 PolarHBondContact O-N 3.39Å; F212-V240 HydrophobicContact CZ-CG2 4.06Å; F212-W245 HydrophobicContact CE2-CB 4.36Å; F212-N247 HydrophobicContact CB-CB 3.81Å; F212-N247 VanDerWaalsContact CB-ND2 3.33Å; F212-N247 WeakPolarHBondContact CB-ND2 3.3Å; F212-N247 HydrophobicContact CD1-CB 3.39Å; F212-N247 HydrophobicContact CD2-CB 4Å; F212-N247 HydrophobicContact CE1-CB 3.85Å; F212-N247 HydrophobicContact CE2-CB 4.41Å; F212-N247 HydrophobicContact CG-CB 3.45Å; F212-N247 VanDerWaalsContact CG-CB 3.45Å; F212-N247 HydrophobicContact CZ-CB 4.33Å; F212-D250 HydrophobicContact CD1-CB 3.91Å; F212-D250 HydrophobicContact CE1-CB 4.25Å
213	R	98.1	Very high	98.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-105.6	130	179.1	-75.8	-81.1	179.5	-179.8	-7.6	109.7	V209 A210 W215 K216 C235 G236 D250 E329	V209-R213 HydrophobicContact CG1-CG 4.04Å; V209-R213 PolarHBondContact O-N 3.26Å; A210-R213 PolarHBondContact O-N 2.82Å; R213-W215 PolarHBondContact O-N 3.44Å; R213-K216 WeakPolarHBondContact O-CA 3.41Å; R213-K216 PolarHBondContact O-N 3.2Å; R213-C235 PolarHBondContact NH1-SG 2.98Å; R213-G236 VanDerWaalsContact CD-O 3.29Å; R213-G236 WeakPolarHBondContact CD-O 3.24Å; R213-G236 PolarHBondContact NH1-O 3.49Å; R213-D250 WeakPolarHBondContact CG-OD1 3.37Å; R213-D250 IonicContact CZ-OD1 3.67Å; R213-D250 IonicContact CZ-OD2 3.63Å; R213-D250 IonicContact NE-OD1 3.46Å; R213-D250 PolarHBondContact NE-OD1 3.42Å; R213-D250 IonicContact NE-OD2 2.69Å; R213-D250 IonicContact NH2-OD1 3.19Å; R213-D250 PolarHBondContact NH2-OD1 3.4Å; R213-D250 IonicContact NH2-OD2 2.82Å; R213-D250 PolarHBondContact NH2-OD2 3.08Å; R213-E329 IonicContact CZ-OE1 3.56Å; R213-E329 IonicContact NH1-OE1 2.74Å; R213-E329 PolarHBondContact NH1-OE1 2.91Å; R213-E329 IonicContact NH2-OE1 2.75Å; R213-E329 PolarHBondContact NH2-OE1 2.96Å
214	S	97.4	Very high	98.2	Very high	11 Å²	11	32 Å²	32	8%	0.077	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-59.7	139.1	-170.6	-152.3	0	0	0	0	112.7	K216 R217 Q237 E239	S214-K216 PolarHBondContact O-N 2.87Å; S214-K216 VanDerWaalsContact O-N 3.1Å; S214-R217 WeakPolarHBondContact O-CB 3.49Å; S214-R217 PolarHBondContact O-N 3.01Å; S214-R217 VanDerWaalsContact O-N 3.1Å; S214-Q237 PolarHBondContact N-O 3.28Å; S214-E239 WeakPolarHBondContact CA-OE1 3.44Å; S214-E239 VanDerWaalsContact CB-OE1 3.27Å; S214-E239 WeakPolarHBondContact CB-OE1 3.42Å; S214-E239 PolarHBondContact OG-OE1 3.44Å
215	W	97.3	Very high	98.1	Very high	151 Å²	151	27.5 Å²	27.5	57%	0.572	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	53.1	21.7	-168.3	-60.7	97.9	0	0	0	115.3	C188 R213 R217 D410 W412	C188-W215 PolarHBondContact SG-O 3.32Å; R213-W215 PolarHBondContact O-N 3.44Å; W215-R217 HydrophobicContact CB-CG 4.13Å; W215-R217 PolarHBondContact O-N 2.79Å; W215-D410 PolarHBondContact NE1-OD1 2.94Å; W215-W412 HydrophobicContact CB-CZ3 4.07Å; W215-W412 AromaticContact CD1-CH2 3.57Å; W215-W412 AromaticContact CD1-CZ3 3.83Å; W215-W412 AromaticContact CD2-CH2 3.65Å; W215-W412 HydrophobicContact CD2-CH2 3.65Å; W215-W412 AromaticContact CD2-CZ3 3.95Å; W215-W412 HydrophobicContact CD2-CZ3 3.95Å; W215-W412 AromaticContact CE2-CH2 3.52Å; W215-W412 HydrophobicContact CE3-CH2 4.37Å; W215-W412 AromaticContact CG-CH2 3.7Å; W215-W412 HydrophobicContact CG-CH2 3.7Å; W215-W412 AromaticContact CG-CZ3 3.67Å; W215-W412 HydrophobicContact CG-CZ3 3.67Å; W215-W412 HydrophobicContact CZ2-CH2 4.14Å; W215-W412 AromaticContact NE1-CH2 3.42Å
216	K	98.3	Very high	97.7	Very high	103 Å²	103	30.4 Å²	30.4	45%	0.448	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	64.1	19	-175.1	-56.4	-176.7	179.7	180	0	114.5	L187 C188 A210 R213 S214 F218	L187-K216 VanDerWaalsContact O-CB 3.31Å; L187-K216 WeakPolarHBondContact O-CB 3.44Å; L187-K216 WeakPolarHBondContact O-CD 3.32Å; C188-K216 HydrophobicContact CB-CB 4.2Å; C188-K216 WeakPolarHBondContact CB-O 3.28Å; A210-K216 HydrophobicContact CB-CB 4.09Å; A210-K216 WeakPolarHBondContact O-CA 3.46Å; A210-K216 WeakPolarHBondContact O-CG 3.48Å; R213-K216 WeakPolarHBondContact O-CA 3.41Å; R213-K216 PolarHBondContact O-N 3.2Å; S214-K216 PolarHBondContact O-N 2.87Å; S214-K216 VanDerWaalsContact O-N 3.1Å; K216-F218 WeakPolarHBondContact O-CD1 3.49Å; K216-F218 PolarHBondContact O-N 2.91Å
217	R	98.5	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.			trans	-85.9	73.6	-174.3	-66.6	168.5	68.6	78.7	0.3	110.5	C188 S190 Y191 S214 W215 C235 G236 D410 G411 F447	C188-R217 WeakPolarHBondContact SG-CG 3.27Å; S190-R217 VanDerWaalsContact CB-NH1 3.29Å; S190-R217 PolarHBondContact O-NH1 3.07Å; S190-R217 WeakPolarHBondContact OG-CD 3.22Å; S190-R217 PolarHBondContact OG-NH1 2.95Å; Y191-R217 HydrophobicContact CD1-CB 4.44Å; Y191-R217 HydrophobicContact CD1-CG 4.05Å; Y191-R217 HydrophobicContact CE1-CB 3.66Å; Y191-R217 HydrophobicContact CE1-CG 3.71Å; Y191-R217 VanDerWaalsContact OH-C 3.28Å; Y191-R217 PolarHBondContact OH-O 3.3Å; S214-R217 WeakPolarHBondContact O-CB 3.49Å; S214-R217 PolarHBondContact O-N 3.01Å; S214-R217 VanDerWaalsContact O-N 3.1Å; W215-R217 HydrophobicContact CB-CG 4.13Å; W215-R217 PolarHBondContact O-N 2.79Å; R217-C235 CarbonylContact O-C 3.42Å; R217-C235 WeakPolarHBondContact O-CA 3.34Å; R217-C235 VanDerWaalsContact O-CB 3.24Å; R217-C235 WeakPolarHBondContact O-CB 3.25Å; R217-G236 PolarHBondContact O-N 3.32Å; R217-D410 WeakPolarHBondContact CD-O 3.45Å; R217-D410 PolarHBondContact NE-O 3.44Å; R217-G411 PolarHBondContact NH2-O 3.47Å; R217-F447 PolarHBondContact NH1-O 3.13Å; R217-F447 PolarHBondContact NH2-O 2.85Å
218	F	98.4	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.			trans	-69	159.5	-176.6	61.8	-94.3	0	0	0	113.8	I181 L187 Y191 L195 V197 L206 V209 A210 K216 A220	I181-F218 HydrophobicContact CG2-CZ 4.38Å; L187-F218 HydrophobicContact CD2-CD1 4.35Å; L187-F218 HydrophobicContact CD2-CE1 3.72Å; L187-F218 HydrophobicContact CD2-CZ 4.45Å; L187-F218 HydrophobicContact CG-CE1 4.3Å; Y191-F218 HydrophobicContact CD2-CE1 4.41Å; Y191-F218 HydrophobicContact CE2-CD1 4.38Å; Y191-F218 HydrophobicContact CE2-CG 4.46Å; Y191-F218 VanDerWaalsContact CE2-O 3.27Å; Y191-F218 WeakPolarHBondContact CE2-O 3.5Å; Y191-F218 PolarHBondContact OH-O 3.01Å; L195-F218 HydrophobicContact CD1-CE1 4.07Å; L195-F218 HydrophobicContact CD1-CE2 4.12Å; L195-F218 HydrophobicContact CD1-CZ 3.43Å; L195-F218 VanDerWaalsContact CD1-CZ 3.43Å; V197-F218 HydrophobicContact CG1-CE2 4.21Å; L206-F218 HydrophobicContact CD1-CE2 4.12Å; L206-F218 HydrophobicContact CD1-CZ 4.23Å; L206-F218 HydrophobicContact CD2-CD2 4.02Å; L206-F218 HydrophobicContact CD2-CE2 3.88Å; L206-F218 HydrophobicContact CG-CE2 4.43Å; V209-F218 HydrophobicContact CB-CB 4.44Å; V209-F218 HydrophobicContact CG1-CB 3.64Å; A210-F218 HydrophobicContact CB-CD1 4.01Å; K216-F218 WeakPolarHBondContact O-CD1 3.49Å; K216-F218 PolarHBondContact O-N 2.91Å; F218-A220 PolarHBondContact O-N 3.4Å
219	P	98.6	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.			trans	-53.6	109.9	174	-28.4	35.5	0	0	0	113.5	C235 L253 V254 I257 L405	P219-C235 HydrophobicContact CG-CB 4.06Å; P219-L253 HydrophobicContact CB-CD2 3.89Å; P219-L253 HydrophobicContact CB-CG 4.28Å; P219-L253 HydrophobicContact CG-CD2 4.1Å; P219-V254 HydrophobicContact CG-CG2 4.08Å; P219-I257 HydrophobicContact CB-CD1 3.81Å; P219-L405 HydrophobicContact CB-CD1 3.93Å; P219-L405 HydrophobicContact CG-CD1 4.35Å; P219-L405 HydrophobicContact CG-CD2 4.3Å
220	A	98.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.1	175	0	0	0	0	0	110.2	Y191 L195 F218 A233 R234	Y191-A220 HydrophobicContact CE2-CB 4.22Å; L195-A220 HydrophobicContact CD2-CB 3.86Å; F218-A220 PolarHBondContact O-N 3.4Å; A220-A233 CarbonylContact O-C 3.56Å; A220-A233 WeakPolarHBondContact O-CA 3.29Å; A220-A233 WeakPolarHBondContact O-CB 3.22Å; A220-R234 PolarHBondContact N-O 3.15Å; A220-R234 VanDerWaalsContact N-O 3.08Å; A220-R234 PolarHBondContact O-N 3.36Å
221	V	98.3	Very high	96.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.5	178.9	176.5	0	0	0	0	110.2	F170 W176 L196 V231 A233 I257	F170-V221 HydrophobicContact CE1-CG1 3.68Å; F170-V221 HydrophobicContact CZ-CG1 3.91Å; W176-V221 HydrophobicContact CE3-CG2 4.37Å; W176-V221 HydrophobicContact CH2-CG2 3.98Å; W176-V221 HydrophobicContact CZ3-CB 4.4Å; W176-V221 HydrophobicContact CZ3-CG2 3.61Å; L196-V221 HydrophobicContact CB-CB 4.27Å; L196-V221 WeakPolarHBondContact CB-O 3.18Å; L196-V221 PolarHBondContact O-N 3.16Å; V221-V231 HydrophobicContact CG1-CB 3.93Å; V221-V231 HydrophobicContact CG1-CG1 4.14Å; V221-A233 HydrophobicContact CG2-CB 4.07Å; V221-I257 HydrophobicContact CG2-CG1 4.32Å; V221-I257 HydrophobicContact CG2-CG2 4.12Å
222	V	98.3	Very high	96.6	Very high	13 Å²	13	25 Å²	25	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-10.8	-174.4	-63.9	0	0	0	0	114	I232 R234 V419 K423 F447	V222-I232 WeakPolarHBondContact CG2-O 3.33Å; V222-I232 PolarHBondContact N-O 3.21Å; V222-R234 HydrophobicContact CG1-CG 3.89Å; V222-R234 HydrophobicContact CG2-CG 4.13Å; V222-V419 HydrophobicContact CG2-CG1 3.8Å; V222-K423 WeakPolarHBondContact O-CE 3.42Å; V222-K423 PolarHBondContact O-NZ 3.3Å; V222-F447 HydrophobicContact CG1-CD2 4.41Å; V222-F447 HydrophobicContact CG1-CE1 4.29Å; V222-F447 HydrophobicContact CG1-CE2 3.47Å; V222-F447 VanDerWaalsContact CG1-CE2 3.47Å; V222-F447 HydrophobicContact CG1-CZ 3.39Å
223	Y	98.6	Very high	96.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.5	172.5	-174	-105.9	0	0	0	111.8	M168 H225 V231 I232 V397 K423 L426 D427 Y430	M168-Y223 HydrophobicContact CE-CD2 4.01Å; M168-Y223 VanDerWaalsContact SD-CA 3.6Å; M168-Y223 HydrophobicContact SD-CD2 3.66Å; M168-Y223 HydrophobicContact SD-CE2 4.21Å; M168-Y223 HydrophobicContact SD-CG 4.29Å; Y223-H225 HydrophobicContact CE1-CB 3.86Å; Y223-V231 CarbonylContact O-C 3.56Å; Y223-V231 WeakPolarHBondContact O-CA 3.37Å; Y223-V231 WeakPolarHBondContact O-CB 3.21Å; Y223-I232 HydrophobicContact CD1-CD1 3.86Å; Y223-I232 HydrophobicContact CD1-CG1 4.11Å; Y223-I232 HydrophobicContact CG-CD1 4.25Å; Y223-I232 PolarHBondContact N-O 3.08Å; Y223-I232 PolarHBondContact O-N 3.2Å; Y223-V397 HydrophobicContact CE1-CG1 4.36Å; Y223-K423 HydrophobicContact CD2-CG 4Å; Y223-K423 HydrophobicContact CG-CG 4.29Å; Y223-L426 HydrophobicContact CD1-CD1 4.2Å; Y223-L426 HydrophobicContact CE1-CB 4.14Å; Y223-L426 HydrophobicContact CE1-CD1 3.81Å; Y223-D427 HydrophobicContact CE2-CB 4.03Å; Y223-Y430 HydrophobicContact CD2-CE2 4.27Å; Y223-Y430 HydrophobicContact CE2-CE2 4.15Å
224	R	97.3	Very high	96.6	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	122.3	169.2	175.3	-165.8	-177.8	-63	-6.6	109.2	M168 G169 F170 Q226 V231 D264	M168-R224 HydrophobicContact CB-CB 4.21Å; M168-R224 PolarHBondContact O-NH1 3.29Å; M168-R224 HydrophobicContact SD-CB 4.46Å; M168-R224 PolarHBondContact SD-N 3.12Å; G169-R224 VanDerWaalsContact O-CZ 3.28Å; G169-R224 PolarHBondContact O-NE 3.03Å; F170-R224 HydrophobicContact CD1-CB 4.09Å; F170-R224 HydrophobicContact CD1-CG 4.46Å; F170-R224 HydrophobicContact CD2-CB 4.33Å; F170-R224 HydrophobicContact CE1-CB 3.55Å; F170-R224 HydrophobicContact CE1-CG 4.32Å; F170-R224 HydrophobicContact CE2-CB 3.83Å; F170-R224 HydrophobicContact CG-CB 4.46Å; F170-R224 HydrophobicContact CZ-CB 3.4Å; F170-R224 VanDerWaalsContact CZ-CB 3.4Å; R224-Q226 PolarHBondContact O-N 3.46Å; R224-V231 HydrophobicContact CB-CG1 4Å; R224-V231 HydrophobicContact CG-CG1 4.15Å; R224-D264 IonicContact CZ-OD1 3.66Å; R224-D264 IonicContact CZ-OD2 3.47Å; R224-D264 VanDerWaalsContact NE-CG 3.29Å; R224-D264 IonicContact NE-OD1 3.24Å; R224-D264 PolarHBondContact NE-OD1 2.89Å; R224-D264 IonicContact NE-OD2 2.69Å; R224-D264 PolarHBondContact NE-OD2 3.36Å; R224-D264 IonicContact NH2-OD1 2.73Å; R224-D264 PolarHBondContact NH2-OD1 3.17Å; R224-D264 IonicContact NH2-OD2 3.09Å
225	H	95.6	Very high	96.7	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.046	12%	0.117	C	C	.	.			trans	-74.1	121.8	177.9	-168.1	-135.3	0	0	0	110.3	Y223 S227 T228 G229 A230 V397 D398	Y223-H225 HydrophobicContact CE1-CB 3.86Å; H225-S227 VanDerWaalsContact C-N 3.31Å; H225-S227 PolarHBondContact CE1-OG 3.41Å; H225-S227 PolarHBondContact ND1-OG 3.46Å; H225-S227 PolarHBondContact O-N 3.08Å; H225-T228 WeakPolarHBondContact ND1-CG2 3.39Å; H225-T228 PolarHBondContact ND1-OG1 2.89Å; H225-G229 WeakPolarHBondContact O-CA 3.34Å; H225-G229 PolarHBondContact O-N 3.38Å; H225-A230 PolarHBondContact N-O 3.11Å; H225-V397 HydrophobicContact CB-CG1 3.59Å; H225-D398 IonicContact CE1-OD1 3.34Å; H225-D398 PolarHBondContact CE1-OD1 3.49Å; H225-D398 VanDerWaalsContact CE1-OD1 3.24Å; H225-D398 IonicContact NE2-OD1 2.71Å
226	Q	91.8	Very high	96.8	Very high	89 Å²	89	16.6 Å²	16.6	42%	0.416	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.8	-168.9	-73.2	-173.9	-14.1	0	0	114.1	R167 R224 R268	R167-Q226 PolarHBondContact O-NE2 3.42Å; R224-Q226 PolarHBondContact O-N 3.46Å; Q226-R268 PolarHBondContact O-NH1 2.96Å
227	S	89.4	Confident	96.7	Very high	93 Å²	93	12.1 Å²	12.1	65%	0.65	7%	0.07	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-40	-174.5	53.4	0	0	0	0	113.4	H225	H225-S227 VanDerWaalsContact C-N 3.31Å; H225-S227 PolarHBondContact CE1-OG 3.41Å; H225-S227 PolarHBondContact ND1-OG 3.46Å; H225-S227 PolarHBondContact O-N 3.08Å
228	T	91	Very high	96.7	Very high	24 Å²	24	12.1 Å²	12.1	15%	0.147	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-16.5	-174.9	65.2	0	0	0	0	113.8	H225 A230 S265 V397 D398 H401	H225-T228 WeakPolarHBondContact ND1-CG2 3.39Å; H225-T228 PolarHBondContact ND1-OG1 2.89Å; T228-A230 PolarHBondContact O-N 3.04Å; T228-A230 WeakPolarHBondContact OG1-CB 3.37Å; T228-A230 PolarHBondContact OG1-N 2.87Å; T228-S265 PolarHBondContact O-OG 3.4Å; T228-V397 PolarHBondContact OG1-O 3.27Å; T228-D398 WeakPolarHBondContact CG2-O 3.45Å; T228-H401 VanDerWaalsContact CG2-ND1 3.29Å; T228-H401 WeakPolarHBondContact CG2-ND1 3.45Å
229	G	92.4	Very high	96.6	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	9%	0.087	C	C	.	.			trans	73.3	-6.1	-174	0	0	0	0	0	114.5	H225 C261	H225-G229 WeakPolarHBondContact O-CA 3.34Å; H225-G229 PolarHBondContact O-N 3.38Å; G229-C261 PolarHBondContact O-SG 2.84Å; G229-C261 VanDerWaalsContact O-SG 3.36Å
230	A	95.8	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.			trans	-62.9	140.1	178.1	0	0	0	0	0	112	H225 T228 V397	H225-A230 PolarHBondContact N-O 3.11Å; T228-A230 PolarHBondContact O-N 3.04Å; T228-A230 WeakPolarHBondContact OG1-CB 3.37Å; T228-A230 PolarHBondContact OG1-N 2.87Å; A230-V397 HydrophobicContact CB-CB 4.36Å; A230-V397 HydrophobicContact CB-CG1 3.92Å; A230-V397 VanDerWaalsContact CB-O 3.3Å; A230-V397 WeakPolarHBondContact CB-O 3.28Å
231	V	98	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.3	-173.2	-64.1	0	0	0	0	113.3	F170 W176 V221 Y223 R224 I257 C261 P403 V404	F170-V231 HydrophobicContact CE1-CG1 4.47Å; W176-V231 HydrophobicContact CH2-CG1 4.15Å; W176-V231 HydrophobicContact CH2-CG2 4.06Å; W176-V231 HydrophobicContact CZ2-CG1 3.7Å; W176-V231 HydrophobicContact CZ2-CG2 4.35Å; V221-V231 HydrophobicContact CG1-CB 3.93Å; V221-V231 HydrophobicContact CG1-CG1 4.14Å; Y223-V231 CarbonylContact O-C 3.56Å; Y223-V231 WeakPolarHBondContact O-CA 3.37Å; Y223-V231 WeakPolarHBondContact O-CB 3.21Å; R224-V231 HydrophobicContact CB-CG1 4Å; R224-V231 HydrophobicContact CG-CG1 4.15Å; V231-I257 HydrophobicContact CG2-CG2 3.87Å; V231-C261 HydrophobicContact CG2-CB 4.27Å; V231-P403 HydrophobicContact CG2-CB 3.83Å; V231-P403 WeakPolarHBondContact O-CA 3.48Å; V231-V404 PolarHBondContact O-N 3Å
232	I	98.8	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.3	165.6	-50.5	168.4	0	0	0	108.4	V222 Y223 V393 V397 V404 V406 V419 L426	V222-I232 WeakPolarHBondContact CG2-O 3.33Å; V222-I232 PolarHBondContact N-O 3.21Å; Y223-I232 HydrophobicContact CD1-CD1 3.86Å; Y223-I232 HydrophobicContact CD1-CG1 4.11Å; Y223-I232 HydrophobicContact CG-CD1 4.25Å; Y223-I232 PolarHBondContact N-O 3.08Å; Y223-I232 PolarHBondContact O-N 3.2Å; I232-V393 HydrophobicContact CD1-CG1 3.65Å; I232-V393 HydrophobicContact CG1-CG1 3.88Å; I232-V393 HydrophobicContact CG2-CG1 4.43Å; I232-V397 HydrophobicContact CD1-CG2 4.31Å; I232-V397 HydrophobicContact CG1-CG2 3.76Å; I232-V404 CarbonylContact C-O 3.54Å; I232-V404 WeakPolarHBondContact CA-O 3.38Å; I232-V406 HydrophobicContact CG2-CG2 4.07Å; I232-V419 HydrophobicContact CG2-CG1 4.41Å; I232-V419 HydrophobicContact CG2-CG2 4.23Å; I232-L426 HydrophobicContact CD1-CD1 3.91Å
233	A	98.8	Very high	94.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.2	171.5	0	0	0	0	0	111.1	A220 V221 I257 V404 L405 V406	A220-A233 CarbonylContact O-C 3.56Å; A220-A233 WeakPolarHBondContact O-CA 3.29Å; A220-A233 WeakPolarHBondContact O-CB 3.22Å; V221-A233 HydrophobicContact CG2-CB 4.07Å; A233-I257 HydrophobicContact CB-CD1 4.19Å; A233-V404 PolarHBondContact N-O 2.93Å; A233-L405 HydrophobicContact CB-CD1 3.6Å; A233-L405 WeakPolarHBondContact O-CA 3.25Å; A233-V406 PolarHBondContact O-N 3.38Å
234	R	98.8	Very high	94.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.7	175.8	60.5	-177.7	-65.7	-175.7	-7.8	112.9	Y191 A220 V222 V406 G411 T415 V419 E443 F447	Y191-R234 PolarHBondContact OH-O 3.07Å; A220-R234 PolarHBondContact N-O 3.15Å; A220-R234 VanDerWaalsContact N-O 3.08Å; A220-R234 PolarHBondContact O-N 3.36Å; V222-R234 HydrophobicContact CG1-CG 3.89Å; V222-R234 HydrophobicContact CG2-CG 4.13Å; R234-V406 WeakPolarHBondContact CA-O 3.47Å; R234-G411 PolarHBondContact NH2-O 2.79Å; R234-G411 VanDerWaalsContact NH2-O 3.08Å; R234-T415 HydrophobicContact CB-CG2 3.72Å; R234-V419 HydrophobicContact CB-CG2 4.39Å; R234-E443 WeakPolarHBondContact CD-OE2 3.23Å; R234-E443 IonicContact CZ-OE2 3.1Å; R234-E443 PolarHBondContact NH1-O 3.45Å; R234-E443 IonicContact NH1-OE2 3.87Å; R234-E443 PolarHBondContact NH1-OE2 3.09Å; R234-F447 HydrophobicContact CG-CD1 4.39Å; R234-F447 HydrophobicContact CG-CE1 4.18Å
235	C	98.8	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	20%	0.197	C	C	.	.			trans	-156.4	176.1	176.5	57.4	0	0	0	0	113	R213 R217 P219 L405 V406 H407 G411	R213-C235 PolarHBondContact NH1-SG 2.98Å; R217-C235 CarbonylContact O-C 3.42Å; R217-C235 WeakPolarHBondContact O-CA 3.34Å; R217-C235 VanDerWaalsContact O-CB 3.24Å; R217-C235 WeakPolarHBondContact O-CB 3.25Å; P219-C235 HydrophobicContact CG-CB 4.06Å; C235-L405 HydrophobicContact CB-CD1 4.38Å; C235-V406 PolarHBondContact N-O 3Å; C235-H407 VanDerWaalsContact O-CB 3.28Å; C235-H407 WeakPolarHBondContact O-CB 3.18Å; C235-G411 WeakPolarHBondContact O-CA 3.11Å
236	G	98.4	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-85.3	171.4	154.4	0	0	0	0	0	112.1	R213 R217 S409	R213-G236 VanDerWaalsContact CD-O 3.29Å; R213-G236 WeakPolarHBondContact CD-O 3.24Å; R213-G236 PolarHBondContact NH1-O 3.49Å; R217-G236 PolarHBondContact O-N 3.32Å; G236-S409 CarbonylContact C-O 3.57Å; G236-S409 WeakPolarHBondContact CA-O 3.39Å
237	Q	98.1	Very high	94.1	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.047	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-59.7	152.3	177.2	66.2	-175.6	-33.4	0	0	112.9	S214 N321 G327 C408 S409	S214-Q237 PolarHBondContact N-O 3.28Å; Q237-N321 PolarHBondContact NE2-OD1 3.42Å; Q237-G327 PolarHBondContact OE1-O 2.97Å; Q237-C408 WeakPolarHBondContact CB-O 3.47Å; Q237-S409 WeakPolarHBondContact CG-O 3.38Å; Q237-S409 PolarHBondContact N-O 2.82Å
238	P	97.4	Very high	94.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.5	141.2	166.4	32.8	-33.8	0	0	0	110.8	F212 V240 G326 G327 E329	F212-P238 HydrophobicContact CD1-CB 4.23Å; F212-P238 HydrophobicContact CE1-CB 3.51Å; F212-P238 HydrophobicContact CZ-CB 3.77Å; P238-V240 HydrophobicContact CB-CG2 3.96Å; P238-V240 HydrophobicContact CG-CG2 3.9Å; P238-V240 PolarHBondContact O-N 3.24Å; P238-G326 CarbonylContact O-C 3.26Å; P238-G327 PolarHBondContact O-N 3.48Å; P238-G327 VanDerWaalsContact O-N 3.13Å; P238-E329 WeakPolarHBondContact CD-OE2 3.46Å; P238-E329 HydrophobicContact CG-CG 4.22Å; P238-E329 WeakPolarHBondContact CG-OE2 3.44Å
239	E	95.6	Very high	94.8	Very high	76 Å²	76	44.2 Å²	44.2	36%	0.355	20%	0.204	S	C	.	.			trans	-87.5	58.8	-179.6	-61.1	-165.3	161.2	0	0	111.3	F212 S214 S241 G325	F212-E239 PolarHBondContact O-N 3.39Å; S214-E239 WeakPolarHBondContact CA-OE1 3.44Å; S214-E239 VanDerWaalsContact CB-OE1 3.27Å; S214-E239 WeakPolarHBondContact CB-OE1 3.42Å; S214-E239 PolarHBondContact OG-OE1 3.44Å; E239-S241 VanDerWaalsContact C-N 3.26Å; E239-S241 PolarHBondContact O-N 2.83Å; E239-G325 CarbonylContact C-O 3.54Å; E239-G325 VanDerWaalsContact C-O 3.26Å; E239-G325 VanDerWaalsContact CA-O 3.23Å; E239-G325 WeakPolarHBondContact CA-O 3.5Å
240	V	92.1	Very high	95.1	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.097	20%	0.203	C	C	.	.			trans	-63.7	-32.1	-179.6	178.4	0	0	0	0	111.6	F212 P238 G244 W245 G326	F212-V240 HydrophobicContact CZ-CG2 4.06Å; P238-V240 HydrophobicContact CB-CG2 3.96Å; P238-V240 HydrophobicContact CG-CG2 3.9Å; P238-V240 PolarHBondContact O-N 3.24Å; V240-G244 CarbonylContact O-C 3.47Å; V240-G244 WeakPolarHBondContact O-CA 3.42Å; V240-G244 PolarHBondContact O-N 3.18Å; V240-G244 VanDerWaalsContact O-N 3.16Å; V240-W245 PolarHBondContact O-N 2.78Å; V240-G326 PolarHBondContact N-O 3.39Å
241	S	89.3	Confident	95.1	Very high	20 Å²	20	45.8 Å²	45.8	14%	0.14	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	178.1	-175	-165.2	0	0	0	0	113.7	E239 W243 G244 R322 G325 G326	E239-S241 VanDerWaalsContact C-N 3.26Å; E239-S241 PolarHBondContact O-N 2.83Å; S241-W243 PolarHBondContact O-N 3.28Å; S241-G244 PolarHBondContact O-N 3.12Å; S241-R322 CarbonylContact C-O 3.58Å; S241-R322 WeakPolarHBondContact CA-O 3.48Å; S241-R322 WeakPolarHBondContact O-CG 3.25Å; S241-R322 PolarHBondContact O-NE 3.25Å; S241-G325 WeakPolarHBondContact CA-O 3.49Å; S241-G325 PolarHBondContact N-O 2.91Å; S241-G325 VanDerWaalsContact N-O 3.12Å; S241-G326 PolarHBondContact N-O 3.23Å
242	W	86.1	Confident	95.1	Very high	145 Å²	145	48.8 Å²	48.8	55%	0.549	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-42.4	173.1	-168.1	-102.4	0	0	0	110.9	G244 R322 A323 M717	W242-G244 PolarHBondContact O-N 3.32Å; W242-G244 VanDerWaalsContact O-N 3.1Å; W242-R322 PolarHBondContact N-O 3.06Å; W242-R322 VanDerWaalsContact N-O 3.08Å; W242-R322 PolarHBondContact O-NH2 3.47Å; W242-A323 HydrophobicContact CE3-CB 4.15Å; W242-A323 HydrophobicContact CZ3-CB 4.41Å; W242-M717 HydrophobicContact CH2-CE 3.97Å
243	W	86.1	Confident	95.1	Very high	202 Å²	202	48.8 Å²	48.8	77%	0.765	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.7	-176.9	-56.4	106.9	0	0	0	115.9	S241 W245	S241-W243 PolarHBondContact O-N 3.28Å; W243-W245 HydrophobicContact CB-CD2 4.44Å; W243-W245 HydrophobicContact CB-CZ2 4.42Å; W243-W245 AromaticContact CD1-NE1 3.84Å
244	G	87.3	Confident	95	Very high	25 Å²	25	48.8 Å²	48.8	26%	0.258	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	37.4	-179	0	0	0	0	0	113.1	V240 S241 W242	V240-G244 CarbonylContact O-C 3.47Å; V240-G244 WeakPolarHBondContact O-CA 3.42Å; V240-G244 PolarHBondContact O-N 3.18Å; V240-G244 VanDerWaalsContact O-N 3.16Å; S241-G244 PolarHBondContact O-N 3.12Å; W242-G244 PolarHBondContact O-N 3.32Å; W242-G244 VanDerWaalsContact O-N 3.1Å
245	W	90.9	Very high	94.8	Very high	165 Å²	165	52.1 Å²	52.1	63%	0.625	24%	0.24	S	C	*	.			trans	-57.4	147.5	172.9	-63.3	124.5	0	0	0	111.4	F212 V240 W243	F212-W245 HydrophobicContact CE2-CB 4.36Å; V240-W245 PolarHBondContact O-N 2.78Å; W243-W245 HydrophobicContact CB-CD2 4.44Å; W243-W245 HydrophobicContact CB-CZ2 4.42Å; W243-W245 AromaticContact CD1-NE1 3.84Å
246	R	95.3	Very high	94.7	Very high	130 Å²	130	52 Å²	52	49%	0.491	24%	0.24	S	C	.	.			trans	-135.2	155.6	-177.5	-70.1	176.5	62.1	-171.7	-4.1	109.7	E251 Y333	R246-E251 IonicContact CZ-OE1 2.73Å; R246-E251 IonicContact CZ-OE2 2.74Å; R246-E251 IonicContact NE-OE1 3.41Å; R246-E251 PolarHBondContact NE-OE1 3.07Å; R246-E251 IonicContact NE-OE2 2.95Å; R246-E251 VanDerWaalsContact NH2-CD 3.3Å; R246-E251 IonicContact NH2-OE1 2.68Å; R246-E251 PolarHBondContact NH2-OE1 3.42Å; R246-E251 VanDerWaalsContact NH2-OE1 3.1Å; R246-E251 IonicContact NH2-OE2 3.24Å; R246-E251 PolarHBondContact NH2-OE2 3.41Å; R246-Y333 HydrophobicContact CG-CD2 3.84Å; R246-Y333 HydrophobicContact CG-CE2 4.03Å; R246-Y333 HydrophobicContact CG-CG 4.41Å; R246-Y333 VanDerWaalsContact CZ-CD1 3.41Å
247	N	97.1	Very high	94.6	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.139	24%	0.24	C	C	.	.			trans	-134.9	113.8	175.3	-173.4	-50.2	0	0	0	108.8	N208 F212 D249 D250 E251	N208-N247 PolarHBondContact O-ND2 3.28Å; F212-N247 HydrophobicContact CB-CB 3.81Å; F212-N247 VanDerWaalsContact CB-ND2 3.33Å; F212-N247 WeakPolarHBondContact CB-ND2 3.3Å; F212-N247 HydrophobicContact CD1-CB 3.39Å; F212-N247 HydrophobicContact CD2-CB 4Å; F212-N247 HydrophobicContact CE1-CB 3.85Å; F212-N247 HydrophobicContact CE2-CB 4.41Å; F212-N247 HydrophobicContact CG-CB 3.45Å; F212-N247 VanDerWaalsContact CG-CB 3.45Å; F212-N247 HydrophobicContact CZ-CB 4.33Å; N247-D249 PolarHBondContact O-N 3.2Å; N247-D249 WeakPolarHBondContact OD1-CA 3.25Å; N247-D249 WeakPolarHBondContact OD1-CB 3.47Å; N247-D249 PolarHBondContact OD1-N 2.92Å; N247-D250 HydrophobicContact CB-CB 4.03Å; N247-D250 PolarHBondContact O-N 2.9Å; N247-D250 PolarHBondContact OD1-N 3.34Å; N247-D250 VanDerWaalsContact OD1-N 3.11Å; N247-E251 WeakPolarHBondContact O-CG 3.43Å; N247-E251 PolarHBondContact O-N 2.97Å
248	A	97.4	Very high	94.3	Very high	70 Å²	70	51.9 Å²	51.9	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-65.2	-28.3	-177.2	0	0	0	0	0	112.6	H252	A248-H252 WeakPolarHBondContact O-CB 3.39Å; A248-H252 PolarHBondContact O-N 3.26Å
249	D	98.3	Very high	94.1	Very high	40 Å²	40	55.3 Å²	55.3	21%	0.214	26%	0.255	C	S	.	.	H	α-helix	trans	-76.6	-28.5	178.3	-55.2	-26	0	0	0	111	E205 N208 V209 N247 L253	E205-D249 HydrophobicContact CB-CB 4.18Å; E205-D249 HydrophobicContact CG-CB 4.21Å; N208-D249 HydrophobicContact CB-CB 4.36Å; N208-D249 WeakPolarHBondContact CB-OD2 3.37Å; N208-D249 PolarHBondContact ND2-OD2 3.29Å; V209-D249 VanDerWaalsContact CG2-C 3.42Å; V209-D249 HydrophobicContact CG2-CB 3.8Å; V209-D249 WeakPolarHBondContact CG2-O 3.42Å; N247-D249 PolarHBondContact O-N 3.2Å; N247-D249 WeakPolarHBondContact OD1-CA 3.25Å; N247-D249 WeakPolarHBondContact OD1-CB 3.47Å; N247-D249 PolarHBondContact OD1-N 2.92Å; D249-L253 VanDerWaalsContact O-CB 3.28Å; D249-L253 WeakPolarHBondContact O-CB 3.43Å; D249-L253 PolarHBondContact O-N 3.32Å
250	D	98.3	Very high	94	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-75.1	-45.7	173.6	-171	92.2	0	0	0	110.8	V209 F212 R213 N247 H252 L253 V254 Y334	V209-D250 HydrophobicContact CG1-CB 4.17Å; V209-D250 VanDerWaalsContact CG1-OD1 3.27Å; V209-D250 WeakPolarHBondContact CG1-OD1 3.49Å; V209-D250 HydrophobicContact CG2-CB 4.21Å; F212-D250 HydrophobicContact CD1-CB 3.91Å; F212-D250 HydrophobicContact CE1-CB 4.25Å; R213-D250 WeakPolarHBondContact CG-OD1 3.37Å; R213-D250 IonicContact CZ-OD1 3.67Å; R213-D250 IonicContact CZ-OD2 3.63Å; R213-D250 IonicContact NE-OD1 3.46Å; R213-D250 PolarHBondContact NE-OD1 3.42Å; R213-D250 IonicContact NE-OD2 2.69Å; R213-D250 IonicContact NH2-OD1 3.19Å; R213-D250 PolarHBondContact NH2-OD1 3.4Å; R213-D250 IonicContact NH2-OD2 2.82Å; R213-D250 PolarHBondContact NH2-OD2 3.08Å; N247-D250 HydrophobicContact CB-CB 4.03Å; N247-D250 PolarHBondContact O-N 2.9Å; N247-D250 PolarHBondContact OD1-N 3.34Å; N247-D250 VanDerWaalsContact OD1-N 3.11Å; D250-H252 PolarHBondContact O-N 3.03Å; D250-L253 PolarHBondContact O-N 3.41Å; D250-V254 WeakPolarHBondContact O-CG2 3.41Å; D250-V254 PolarHBondContact O-N 2.96Å; D250-Y334 PolarHBondContact OD2-OH 2.85Å; D250-Y334 VanDerWaalsContact OD2-OH 3.1Å
251	E	97.3	Very high	94	Very high	34 Å²	34	51.2 Å²	51.2	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-40.8	169.7	-68.3	170.1	-161.2	0	0	110.8	R246 N247 Q255 Y334	R246-E251 IonicContact CZ-OE1 2.73Å; R246-E251 IonicContact CZ-OE2 2.74Å; R246-E251 IonicContact NE-OE1 3.41Å; R246-E251 PolarHBondContact NE-OE1 3.07Å; R246-E251 IonicContact NE-OE2 2.95Å; R246-E251 VanDerWaalsContact NH2-CD 3.3Å; R246-E251 IonicContact NH2-OE1 2.68Å; R246-E251 PolarHBondContact NH2-OE1 3.42Å; R246-E251 VanDerWaalsContact NH2-OE1 3.1Å; R246-E251 IonicContact NH2-OE2 3.24Å; R246-E251 PolarHBondContact NH2-OE2 3.41Å; N247-E251 WeakPolarHBondContact O-CG 3.43Å; N247-E251 PolarHBondContact O-N 2.97Å; E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 PolarHBondContact O-N 2.89Å; E251-Y334 HydrophobicContact CB-CE1 4.48Å; E251-Y334 HydrophobicContact CG-CD1 4.43Å; E251-Y334 HydrophobicContact CG-CE1 3.94Å; E251-Y334 HydrophobicContact CG-CE2 4.13Å
252	H	97.3	Very high	93.9	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.292	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-43	175.8	-174.4	-132.4	0	0	0	113.5	I201 E205 A248 D250 S256	I201-H252 WeakPolarHBondContact CD1-ND1 3.39Å; E205-H252 IonicContact OE1-CE1 2.7Å; E205-H252 PolarHBondContact OE1-CE1 3.38Å; E205-H252 IonicContact OE1-ND1 3.71Å; E205-H252 PolarHBondContact OE1-ND1 2.93Å; A248-H252 WeakPolarHBondContact O-CB 3.39Å; A248-H252 PolarHBondContact O-N 3.26Å; D250-H252 PolarHBondContact O-N 3.03Å; H252-S256 PolarHBondContact NE2-OG 2.78Å; H252-S256 WeakPolarHBondContact O-CB 3.41Å; H252-S256 PolarHBondContact O-N 2.88Å; H252-S256 PolarHBondContact O-OG 3.38Å
253	L	98	Very high	94	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-49.1	177.9	171.6	60.3	0	0	0	111.4	P198 I201 L206 V209 P219 D249 D250 Q255 S256 I257	P198-L253 HydrophobicContact CG-CD1 4.25Å; I201-L253 HydrophobicContact CD1-CB 4.37Å; I201-L253 HydrophobicContact CD1-CD1 4.46Å; I201-L253 HydrophobicContact CG1-CD1 3.99Å; I201-L253 HydrophobicContact CG2-CD1 4.26Å; L206-L253 HydrophobicContact CD2-CD2 4.15Å; V209-L253 HydrophobicContact CG1-CD2 3.92Å; V209-L253 HydrophobicContact CG2-CB 4.43Å; V209-L253 HydrophobicContact CG2-CD2 4.26Å; P219-L253 HydrophobicContact CB-CD2 3.89Å; P219-L253 HydrophobicContact CB-CG 4.28Å; P219-L253 HydrophobicContact CG-CD2 4.1Å; D249-L253 VanDerWaalsContact O-CB 3.28Å; D249-L253 WeakPolarHBondContact O-CB 3.43Å; D249-L253 PolarHBondContact O-N 3.32Å; D250-L253 PolarHBondContact O-N 3.41Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.46Å; L253-S256 CarbonylContact O-C 3.4Å; L253-S256 WeakPolarHBondContact O-CA 3.36Å; L253-S256 WeakPolarHBondContact O-CB 3.44Å; L253-S256 PolarHBondContact O-N 3.43Å; L253-I257 HydrophobicContact CD1-CD1 4.34Å; L253-I257 HydrophobicContact CD1-CG1 4.31Å; L253-I257 HydrophobicContact CG-CD1 4.42Å; L253-I257 WeakPolarHBondContact O-CG1 3.33Å; L253-I257 PolarHBondContact O-N 3.48Å
254	V	96.9	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-42.7	180	176.8	0	0	0	0	110.4	P219 D250 S256 I257 L307 I309 Y334 L405	P219-V254 HydrophobicContact CG-CG2 4.08Å; D250-V254 WeakPolarHBondContact O-CG2 3.41Å; D250-V254 PolarHBondContact O-N 2.96Å; V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.4Å; V254-I257 PolarHBondContact O-N 2.79Å; V254-L307 HydrophobicContact CG1-CD1 4.19Å; V254-L307 HydrophobicContact CG1-CD2 4.08Å; V254-I309 HydrophobicContact CG1-CD1 4.43Å; V254-Y334 HydrophobicContact CB-CD1 4.29Å; V254-Y334 HydrophobicContact CB-CE1 4.39Å; V254-Y334 HydrophobicContact CG1-CD1 4.25Å; V254-Y334 HydrophobicContact CG2-CE1 4.27Å; V254-L405 HydrophobicContact CG1-CD2 4.39Å; V254-L405 HydrophobicContact CG2-CD2 4.06Å
255	Q	94.7	Very high	93.3	Very high	70 Å²	70	39.2 Å²	39.2	33%	0.327	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-33.7	172.5	-158.5	-163.9	38.1	0	0	112.3	E251 L253 A258 K259 N336	E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 PolarHBondContact O-N 2.89Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.46Å; Q255-A258 PolarHBondContact O-N 2.77Å; Q255-K259 WeakPolarHBondContact O-CG 3.28Å; Q255-K259 PolarHBondContact O-N 3.17Å; Q255-K259 VanDerWaalsContact O-N 3.11Å; Q255-N336 PolarHBondContact NE2-ND2 3.16Å; Q255-N336 VanDerWaalsContact NE2-ND2 3.14Å
256	S	95.9	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72	-29.6	-179.9	-69.3	0	0	0	0	113.9	W200 H252 L253 V254 A258 K259 A260	W200-S256 VanDerWaalsContact NE1-CB 3.34Å; W200-S256 PolarHBondContact NE1-OG 3.49Å; H252-S256 PolarHBondContact NE2-OG 2.78Å; H252-S256 WeakPolarHBondContact O-CB 3.41Å; H252-S256 PolarHBondContact O-N 2.88Å; H252-S256 PolarHBondContact O-OG 3.38Å; L253-S256 CarbonylContact O-C 3.4Å; L253-S256 WeakPolarHBondContact O-CA 3.36Å; L253-S256 WeakPolarHBondContact O-CB 3.44Å; L253-S256 PolarHBondContact O-N 3.43Å; V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.4Å; S256-A258 VanDerWaalsContact C-N 3.31Å; S256-A258 PolarHBondContact O-N 3.3Å; S256-K259 PolarHBondContact O-N 3.42Å; S256-A260 WeakPolarHBondContact O-CB 3.43Å; S256-A260 PolarHBondContact O-N 2.85Å
257	I	96.4	Very high	89.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-42.8	170.7	-69	167.2	0	0	0	110.3	W176 P198 P219 V221 V231 A233 L253 V254 C261 L307	W176-I257 HydrophobicContact CH2-CG2 4.33Å; P198-I257 HydrophobicContact CG-CG1 3.99Å; P219-I257 HydrophobicContact CB-CD1 3.81Å; V221-I257 HydrophobicContact CG2-CG1 4.32Å; V221-I257 HydrophobicContact CG2-CG2 4.12Å; V231-I257 HydrophobicContact CG2-CG2 3.87Å; A233-I257 HydrophobicContact CB-CD1 4.19Å; L253-I257 HydrophobicContact CD1-CD1 4.34Å; L253-I257 HydrophobicContact CD1-CG1 4.31Å; L253-I257 HydrophobicContact CG-CD1 4.42Å; L253-I257 WeakPolarHBondContact O-CG1 3.33Å; L253-I257 PolarHBondContact O-N 3.48Å; V254-I257 PolarHBondContact O-N 2.79Å; I257-C261 WeakPolarHBondContact O-CB 3.25Å; I257-C261 PolarHBondContact O-N 3.29Å; I257-C261 VanDerWaalsContact O-N 3.07Å; I257-L307 HydrophobicContact CB-CD1 4.24Å; I257-L307 HydrophobicContact CG2-CD1 4.02Å
258	A	93.2	Very high	87.6	Confident	6 Å²	6	36.9 Å²	36.9	5%	0.05	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-39	176.2	0	0	0	0	0	113.1	Q255 S256 C261 A262 L307 P403	Q255-A258 PolarHBondContact O-N 2.77Å; S256-A258 VanDerWaalsContact C-N 3.31Å; S256-A258 PolarHBondContact O-N 3.3Å; A258-C261 WeakPolarHBondContact O-CB 3.17Å; A258-A262 PolarHBondContact O-N 3.15Å; A258-L307 HydrophobicContact CB-CB 4.33Å; A258-L307 HydrophobicContact CB-CD1 4.47Å; A258-P403 HydrophobicContact CB-CG 4.04Å
259	K	92.7	Very high	85.2	Confident	71 Å²	71	41.9 Å²	41.9	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-46.9	173.7	-69.1	169.3	-170.8	162.6	0	111.8	W200 Q255 S256 C261 A262 V263	W200-K259 HydrophobicContact CH2-CB 4.07Å; W200-K259 HydrophobicContact CZ2-CB 3.72Å; W200-K259 HydrophobicContact CZ2-CD 4.45Å; Q255-K259 WeakPolarHBondContact O-CG 3.28Å; Q255-K259 PolarHBondContact O-N 3.17Å; Q255-K259 VanDerWaalsContact O-N 3.11Å; S256-K259 PolarHBondContact O-N 3.42Å; K259-C261 PolarHBondContact O-N 3.14Å; K259-A262 PolarHBondContact O-N 2.9Å; K259-A262 VanDerWaalsContact O-N 3.15Å; K259-V263 WeakPolarHBondContact O-CG2 3.42Å; K259-V263 PolarHBondContact O-N 3.2Å
260	A	93.4	Very high	82.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-41.6	179.9	0	0	0	0	0	112.1	A175 W176 P198 W200 S256 A262 V263 D264	A175-A260 WeakPolarHBondContact O-CB 3.29Å; W176-A260 HydrophobicContact CD2-CB 4.11Å; W176-A260 HydrophobicContact CE3-CB 4Å; W176-A260 HydrophobicContact CH2-CB 3.49Å; W176-A260 VanDerWaalsContact CH2-CB 3.49Å; W176-A260 HydrophobicContact CZ2-CB 3.63Å; W176-A260 HydrophobicContact CZ3-CB 3.69Å; P198-A260 HydrophobicContact CB-CB 4.04Å; P198-A260 HydrophobicContact CG-CB 4.3Å; W200-A260 HydrophobicContact CH2-CB 3.78Å; W200-A260 HydrophobicContact CZ2-CB 4.21Å; S256-A260 WeakPolarHBondContact O-CB 3.43Å; S256-A260 PolarHBondContact O-N 2.85Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 3.36Å; A260-V263 PolarHBondContact O-N 3.46Å; A260-D264 WeakPolarHBondContact O-CB 3.3Å; A260-D264 PolarHBondContact O-N 2.85Å
261	C	91.4	Very high	79.4	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-53	-45.2	170.7	-177	0	0	0	0	112.5	G229 V231 I257 A258 K259 S265 P403	G229-C261 PolarHBondContact O-SG 2.84Å; G229-C261 VanDerWaalsContact O-SG 3.36Å; V231-C261 HydrophobicContact CG2-CB 4.27Å; I257-C261 WeakPolarHBondContact O-CB 3.25Å; I257-C261 PolarHBondContact O-N 3.29Å; I257-C261 VanDerWaalsContact O-N 3.07Å; A258-C261 WeakPolarHBondContact O-CB 3.17Å; K259-C261 PolarHBondContact O-N 3.14Å; C261-S265 WeakPolarHBondContact O-CB 3.46Å; C261-S265 PolarHBondContact O-N 3.29Å; C261-S265 VanDerWaalsContact O-N 3.17Å; C261-S265 PolarHBondContact O-OG 2.58Å; C261-P403 HydrophobicContact CB-CB 4.3Å; C261-P403 HydrophobicContact CB-CG 4.48Å
262	A	88.4	Confident	76.8	Confident	27 Å²	27	59.8 Å²	59.8	22%	0.223	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-37.5	178.6	0	0	0	0	0	113.2	A258 K259 A260 P304	A258-A262 PolarHBondContact O-N 3.15Å; K259-A262 PolarHBondContact O-N 2.9Å; K259-A262 VanDerWaalsContact O-N 3.15Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 3.36Å; A262-P304 HydrophobicContact CB-CB 4.15Å
263	V	88.2	Confident	73.9	Confident	59 Å²	59	64.5 Å²	64.5	36%	0.358	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-52.4	175.9	172.3	0	0	0	0	110.9	A175 K259 A260 S265 S266	A175-V263 HydrophobicContact CB-CB 4.33Å; A175-V263 HydrophobicContact CB-CG1 4.1Å; K259-V263 WeakPolarHBondContact O-CG2 3.42Å; K259-V263 PolarHBondContact O-N 3.2Å; A260-V263 PolarHBondContact O-N 3.46Å; V263-S265 VanDerWaalsContact C-N 3.3Å; V263-S265 PolarHBondContact O-N 2.98Å; V263-S266 WeakPolarHBondContact O-CB 3.13Å; V263-S266 PolarHBondContact O-N 3.16Å; V263-S266 PolarHBondContact O-OG 3.36Å
264	D	85.2	Confident	71	Confident	9 Å²	9	68 Å²	68	5%	0.048	38%	0.383	C	S	.	.	H	α-helix	trans	-58.2	-42.3	-179.2	-168	-20.4	0	0	0	111.5	D171 A175 W176 R224 A260 S266 G267	D171-D264 PolarHBondContact N-OD2 3.29Å; A175-D264 HydrophobicContact CB-CB 3.73Å; W176-D264 VanDerWaalsContact CD1-OD2 3.25Å; W176-D264 PolarHBondContact NE1-OD2 2.97Å; R224-D264 IonicContact CZ-OD1 3.66Å; R224-D264 IonicContact CZ-OD2 3.47Å; R224-D264 VanDerWaalsContact NE-CG 3.29Å; R224-D264 IonicContact NE-OD1 3.24Å; R224-D264 PolarHBondContact NE-OD1 2.89Å; R224-D264 IonicContact NE-OD2 2.69Å; R224-D264 PolarHBondContact NE-OD2 3.36Å; R224-D264 IonicContact NH2-OD1 2.73Å; R224-D264 PolarHBondContact NH2-OD1 3.17Å; R224-D264 IonicContact NH2-OD2 3.09Å; A260-D264 WeakPolarHBondContact O-CB 3.3Å; A260-D264 PolarHBondContact O-N 2.85Å; D264-S266 PolarHBondContact O-N 2.67Å; D264-S266 VanDerWaalsContact O-N 3.09Å; D264-G267 PolarHBondContact O-N 2.81Å
265	S	73.5	Confident	67.9	Low	46 Å²	46	72.7 Å²	72.7	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-59.3	-22.5	176.3	-59.8	0	0	0	0	114.2	T228 C261 V263	T228-S265 PolarHBondContact O-OG 3.4Å; C261-S265 WeakPolarHBondContact O-CB 3.46Å; C261-S265 PolarHBondContact O-N 3.29Å; C261-S265 VanDerWaalsContact O-N 3.17Å; C261-S265 PolarHBondContact O-OG 2.58Å; V263-S265 VanDerWaalsContact C-N 3.3Å; V263-S265 PolarHBondContact O-N 2.98Å
266	S	59	Low	65	Low	65 Å²	65	80 Å²	80	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-79.2	-30.2	-178.2	77.4	0	0	0	0	113.8	V263 D264 R268	V263-S266 WeakPolarHBondContact O-CB 3.13Å; V263-S266 PolarHBondContact O-N 3.16Å; V263-S266 PolarHBondContact O-OG 3.36Å; D264-S266 PolarHBondContact O-N 2.67Å; D264-S266 VanDerWaalsContact O-N 3.09Å; S266-R268 VanDerWaalsContact C-N 3.34Å; S266-R268 PolarHBondContact O-N 3.42Å
267	G	52.1	Low	62.1	Low	55 Å²	55	86.2 Å²	86.2	57%	0.567	48%	0.48	S	S	*	.	H	α-helix	trans	-67.4	-27	-169.6	0	0	0	0	0	115.1	D264 K269	D264-G267 PolarHBondContact O-N 2.81Å; G267-K269 VanDerWaalsContact C-N 3.29Å; G267-K269 PolarHBondContact O-N 3.48Å
268	R	52.1	Low	59.2	Low	152 Å²	152	93.8 Å²	93.8	57%	0.574	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	1.1	-175	-85.3	-173.5	171.9	-164.5	-8.8	115.9	Q226 S266 H270	Q226-R268 PolarHBondContact O-NH1 2.96Å; S266-R268 VanDerWaalsContact C-N 3.34Å; S266-R268 PolarHBondContact O-N 3.42Å; R268-H270 VanDerWaalsContact C-N 3.29Å; R268-H270 PolarHBondContact O-N 2.88Å
269	K	46.2	Very low	56.2	Low	175 Å²	175	97 Å²	97	76%	0.761	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-3.1	-178.2	-73.8	-174.6	178.5	175.2	0	115.6	G267 L271	G267-K269 VanDerWaalsContact C-N 3.29Å; G267-K269 PolarHBondContact O-N 3.48Å; K269-L271 PolarHBondContact O-N 2.78Å
270	H	39.7	Very low	53.7	Low	186 Å²	186	98.6 Å²	98.6	86%	0.861	58%	0.575	S	S	*	*			trans	-94.7	88.5	-179.8	-119.5	-83.7	0	0	0	113.3	R268	R268-H270 VanDerWaalsContact C-N 3.29Å; R268-H270 PolarHBondContact O-N 2.88Å
271	L	35	Very low	50.9	Low	153 Å²	153	105.7 Å²	105.7	80%	0.801	61%	0.612	S	S	*	*			trans	-115	146.2	160.2	-88.1	161.9	0	0	0	109.5	K269 N273	K269-L271 PolarHBondContact O-N 2.78Å; L271-N273 PolarHBondContact O-N 3.4Å
272	P	44.1	Very low	48.5	Very low	110 Å²	110	113.2 Å²	113.2	71%	0.714	65%	0.651	S	S	*	*			trans	-81.3	115	-158.3	30.3	-35.4	0	0	0	113.4	G274	P272-G274 PolarHBondContact O-N 2.92Å
273	N	34.9	Very low	46.7	Very low	163 Å²	163	117.6 Å²	117.6	87%	0.872	68%	0.678	S	S	*	*			trans	-80.1	85.1	171.2	-168.7	22.5	0	0	0	111.3	L271 S275	L271-N273 PolarHBondContact O-N 3.4Å; N273-S275 PolarHBondContact O-N 2.79Å
274	G	38.7	Very low	44.2	Very low	73 Å²	73	121.3 Å²	121.3	75%	0.753	70%	0.695	S	S	*	*			trans	-84.1	90.8	-179.8	0	0	0	0	0	113.5	P272	P272-G274 PolarHBondContact O-N 2.92Å
275	S	30.3	Very low	42	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	73%	0.734	S	S	*	*			trans	-150.4	98.4	161.5	-154.3	0	0	0	0	112.3	N273	N273-S275 PolarHBondContact O-N 2.79Å
276	Y	35.1	Very low	40.5	Very low	224 Å²	224	132.2 Å²	132.2	88%	0.878	76%	0.756	S	S	*	*			trans	-93.7	121.8	164.3	-78.6	-88	0	0	0	109.2
277	T	33.8	Very low	39.2	Very low	130 Å²	130	137.3 Å²	137.3	80%	0.798	77%	0.77	S	S	*	*			trans	-114.2	111.1	155.9	49.3	0	0	0	0	108.1	G279	T277-G279 PolarHBondContact O-N 2.76Å
278	N	35.2	Very low	38.2	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	78%	0.778	S	S	*	*			trans	-69.8	124	178.3	-75.1	-16.1	0	0	0	110.5
279	G	30.6	Very low	37.6	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	79%	0.791	S	S	*	*			trans	-131.2	116.2	160.6	0	0	0	0	0	107.9	T277	T277-G279 PolarHBondContact O-N 2.76Å
280	S	40.9	Very low	37	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	79%	0.791	S	S	*	*			trans	-75.3	144.6	170.1	59.9	0	0	0	0	109.6
281	D	35.1	Very low	37.1	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	79%	0.794	S	S	*	*				-177.4	152.3	109	-83.3	-8.3	0	0	0	110.7
282	L	40.9	Very low	37.3	Very low	164 Å²	164	136.1 Å²	136.1	86%	0.859	79%	0.791	S	S	*	*			trans	-114.4	146.9	171.2	-83.8	171.7	0	0	0	106.7
283	P	50.9	Low	37.3	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	80%	0.798	S	S	*	*				-151.1	141.7	74.8	38.8	-18.8	0	0	0	118.4
284	D	34.8	Very low	37.1	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	79%	0.789	S	S	*	*				52.5	107.4	115.5	-153.5	23.7	0	0	0	120.8
285	T	39.7	Very low	37.3	Very low	139 Å²	139	137.5 Å²	137.5	85%	0.853	79%	0.792	S	S	*	*			trans	-153.1	132.8	145.1	50.5	0	0	0	0	110.4
286	D	40.4	Very low	37.8	Very low	146 Å²	146	141 Å²	141	78%	0.781	80%	0.797	S	S	*	*			trans	-63.2	158.7	169.8	-49.4	-88.1	0	0	0	112.9
287	F	31.8	Very low	37.9	Very low	172 Å²	172	136.6 Å²	136.6	75%	0.754	79%	0.793	S	S	*	*				-178.6	150.3	101.2	-155.7	-126.2	0	0	0	114.6
288	E	32	Very low	38.2	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	79%	0.793	S	S	*	*			trans	47.9	127	163.7	-92.9	176.8	179.5	0	0	123.8
289	S	39.4	Very low	38.5	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	79%	0.788	S	S	*	*			trans	-81.9	144.5	163	-45.9	0	0	0	0	111.9
290	S	33.9	Very low	38.9	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	79%	0.791	S	S	*	*			trans	-142.7	130.3	155.2	-171.3	0	0	0	0	111.1
291	M	42.3	Very low	39	Very low	186 Å²	186	139.7 Å²	139.7	92%	0.916	79%	0.789	S	S	*	*			trans	-98.6	104.1	175.4	-61.5	-171.6	-61.4	0	0	110.1
292	T	37.6	Very low	39.9	Very low	119 Å²	119	137.3 Å²	137.3	73%	0.73	78%	0.775	S	S	*	*			trans	-142.9	148.8	162.6	44.4	0	0	0	0	110.6
293	N	44.5	Very low	40.6	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	77%	0.771	S	S	*	*			trans	-53.2	134.2	-170	-60.6	-11.1	0	0	0	114.2
294	S	30.6	Very low	41.3	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	75%	0.75	S	S	*	*			trans	-146.6	58.9	158.8	45.4	0	0	0	0	109.7	E296	S294-E296 PolarHBondContact O-N 3.1Å
295	S	43.2	Very low	43.5	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	74%	0.737	S	S	*	*			trans	-73.3	26.9	174.4	54.6	0	0	0	0	113.3
296	E	41.5	Very low	45.9	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	72%	0.72	S	S	*	*			trans	-138.5	53.2	-173.2	-66.9	-178.9	153.3	0	0	108.6	S294 E298	S294-E296 PolarHBondContact O-N 3.1Å; E296-E298 PolarHBondContact O-N 3.13Å
297	V	37.4	Very low	48.5	Very low	130 Å²	130	124.4 Å²	124.4	79%	0.788	68%	0.683	S	S	*	*			trans	-69.8	97.2	153	177.5	0	0	0	0	105.6	T299	V297-T299 VanDerWaalsContact C-N 3.27Å; V297-T299 PolarHBondContact O-N 3.19Å
298	E	39.3	Very low	51.6	Low	170 Å²	170	116.6 Å²	116.6	79%	0.794	65%	0.65	S	S	*	*			trans	-62.7	87.5	-179.5	-167.2	172.6	-150.1	0	0	109.5	E296 L300	E296-E298 PolarHBondContact O-N 3.13Å; E298-L300 PolarHBondContact O-N 2.81Å
299	T	41.3	Very low	54.8	Low	123 Å²	123	109 Å²	109	76%	0.755	61%	0.614	S	S	*	*			trans	-53.8	108.4	168	-59.3	0	0	0	0	106.4	V297 A301	V297-T299 VanDerWaalsContact C-N 3.27Å; V297-T299 PolarHBondContact O-N 3.19Å; T299-A301 VanDerWaalsContact C-N 3.35Å; T299-A301 WeakPolarHBondContact O-CA 3.49Å; T299-A301 PolarHBondContact O-N 3.17Å
300	L	40.5	Very low	57.6	Low	159 Å²	159	103.2 Å²	103.2	83%	0.832	57%	0.574	S	S	*	*			trans	-47.3	97.2	-172	-75.9	168.7	0	0	0	110.5	E298 I302	E298-L300 PolarHBondContact O-N 2.81Å; L300-I302 PolarHBondContact O-N 3.34Å
301	A	42.6	Very low	60.7	Low	81 Å²	81	98 Å²	98	67%	0.669	54%	0.537	S	S	*	.			trans	-76.1	101.1	-162	0	0	0	0	0	108.5	T299 Q303	T299-A301 VanDerWaalsContact C-N 3.35Å; T299-A301 WeakPolarHBondContact O-CA 3.49Å; T299-A301 PolarHBondContact O-N 3.17Å; A301-Q303 VanDerWaalsContact C-N 3.25Å; A301-Q303 PolarHBondContact O-N 2.86Å
302	I	54.4	Low	63.4	Low	99 Å²	99	89.1 Å²	89.1	51%	0.508	49%	0.494	S	S	.	.			trans	-59.5	98.1	164.4	-57.9	174.7	0	0	0	105.3	L300 P304	L300-I302 PolarHBondContact O-N 3.34Å; I302-P304 WeakPolarHBondContact O-CD 3.38Å; I302-P304 VanDerWaalsContact O-N 3.12Å
303	Q	55.6	Low	66.3	Low	167 Å²	167	83.5 Å²	83.5	78%	0.78	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-56.7	121	175	-70.4	-172	-6.3	0	0	106.6	A301 H305	A301-Q303 VanDerWaalsContact C-N 3.25Å; A301-Q303 PolarHBondContact O-N 2.86Å; Q303-H305 PolarHBondContact O-N 3.17Å
304	P	64.9	Low	68.8	Low	51 Å²	51	78 Å²	78	33%	0.331	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-60.1	128.3	-174.6	23.7	-33	0	0	0	108.5	A262 I302 K306	A262-P304 HydrophobicContact CB-CB 4.15Å; I302-P304 WeakPolarHBondContact O-CD 3.38Å; I302-P304 VanDerWaalsContact O-N 3.12Å; P304-K306 PolarHBondContact O-N 2.85Å
305	H	79.9	Confident	71.9	Confident	98 Å²	98	80.2 Å²	80.2	45%	0.454	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-52.4	131.2	174.6	-65.2	-69	0	0	0	108.6	Q303 L307 H401	Q303-H305 PolarHBondContact O-N 3.17Å; H305-L307 PolarHBondContact O-N 2.84Å; H305-H401 PolarHBondContact CD2-O 3Å
306	K	90.2	Very high	74.4	Confident	116 Å²	116	78.1 Å²	78.1	50%	0.504	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-48.3	136.5	-179.6	-72	-170	176.4	-168.1	0	109.5	P304 N336 R402	P304-K306 PolarHBondContact O-N 2.85Å; K306-N336 CarbonylContact C-O 3.54Å; K306-N336 WeakPolarHBondContact CA-O 3.46Å; K306-N336 WeakPolarHBondContact CB-O 3.25Å; K306-R402 WeakPolarHBondContact O-CD 3.26Å; K306-R402 WeakPolarHBondContact O-CG 3.44Å; K306-R402 PolarHBondContact O-NE 3.46Å
307	L	95.4	Very high	77	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.3	173.9	-171.2	143.2	0	0	0	109.8	V254 I257 A258 H305 I309 N336 C337 E338 R402 P403 L405	V254-L307 HydrophobicContact CG1-CD1 4.19Å; V254-L307 HydrophobicContact CG1-CD2 4.08Å; I257-L307 HydrophobicContact CB-CD1 4.24Å; I257-L307 HydrophobicContact CG2-CD1 4.02Å; A258-L307 HydrophobicContact CB-CB 4.33Å; A258-L307 HydrophobicContact CB-CD1 4.47Å; H305-L307 PolarHBondContact O-N 2.84Å; L307-I309 HydrophobicContact CD2-CD1 4.36Å; L307-I309 HydrophobicContact CD2-CG1 3.46Å; L307-I309 VanDerWaalsContact CD2-CG1 3.46Å; L307-N336 PolarHBondContact N-O 2.64Å; L307-C337 CarbonylContact O-C 3.58Å; L307-C337 VanDerWaalsContact O-CA 3.31Å; L307-C337 WeakPolarHBondContact O-CA 3.37Å; L307-E338 PolarHBondContact O-N 3.08Å; L307-R402 PolarHBondContact O-NH2 3Å; L307-P403 WeakPolarHBondContact CA-O 3.41Å; L307-P403 HydrophobicContact CB-CG 4.39Å; L307-P403 HydrophobicContact CD1-CB 4.45Å; L307-P403 HydrophobicContact CG-CG 4.48Å; L307-L405 HydrophobicContact CD2-CB 3.8Å
308	L	98.1	Very high	79.8	Confident	8 Å²	8	65 Å²	65	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.2	171.1	176.2	60.3	0	0	0	109.1	V340 L392 A396 P403 V404 L405	L308-V340 HydrophobicContact CD1-CB 4.31Å; L308-V340 HydrophobicContact CD1-CG2 3.71Å; L308-L392 HydrophobicContact CD2-CD2 3.84Å; L308-A396 HydrophobicContact CD2-CB 3.76Å; L308-P403 PolarHBondContact N-O 2.92Å; L308-V404 HydrophobicContact CB-CG1 4.28Å; L308-V404 HydrophobicContact CB-CG2 4.25Å; L308-V404 HydrophobicContact CD2-CG1 4.26Å; L308-V404 HydrophobicContact CD2-CG2 4.27Å; L308-V404 HydrophobicContact CG-CG1 4.24Å; L308-V404 CarbonylContact O-C 3.45Å; L308-V404 VanDerWaalsContact O-CA 3.3Å; L308-V404 WeakPolarHBondContact O-CA 3.42Å; L308-V404 WeakPolarHBondContact O-CG1 3.46Å; L308-L405 PolarHBondContact O-N 2.97Å
309	I	98.6	Very high	82.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.6	171	-56	-178	0	0	0	107.1	V254 L307 E329 C337 E338 V339 V340 L405 H407	V254-I309 HydrophobicContact CG1-CD1 4.43Å; L307-I309 HydrophobicContact CD2-CD1 4.36Å; L307-I309 HydrophobicContact CD2-CG1 3.46Å; L307-I309 VanDerWaalsContact CD2-CG1 3.46Å; I309-E329 HydrophobicContact CD1-CB 3.74Å; I309-E329 HydrophobicContact CD1-CG 3.71Å; I309-C337 HydrophobicContact CD1-CB 3.86Å; I309-C337 HydrophobicContact CG1-CB 4.14Å; I309-E338 PolarHBondContact N-O 3.02Å; I309-V339 HydrophobicContact CB-CG2 4.22Å; I309-V339 HydrophobicContact CD1-CG2 4.36Å; I309-V339 HydrophobicContact CG2-CG1 4.41Å; I309-V339 CarbonylContact O-C 3.55Å; I309-V339 WeakPolarHBondContact O-CA 3.42Å; I309-V340 PolarHBondContact O-N 3.33Å; I309-L405 WeakPolarHBondContact CA-O 3.42Å; I309-H407 WeakPolarHBondContact CG2-NE2 3.39Å
310	L	98.6	Very high	84.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	102.4	177.4	-168.8	172.2	0	0	0	108.2	M342 L392 V393 L405 V406 H407 I418	L310-M342 HydrophobicContact CD1-CG 4.35Å; L310-M342 HydrophobicContact CD2-CB 4.49Å; L310-M342 HydrophobicContact CD2-CG 3.43Å; L310-M342 VanDerWaalsContact CD2-CG 3.43Å; L310-M342 HydrophobicContact CG-CG 3.91Å; L310-M342 HydrophobicContact CG-SD 4.44Å; L310-L392 HydrophobicContact CD1-CD2 3.76Å; L310-L392 HydrophobicContact CG-CD2 4.41Å; L310-V393 HydrophobicContact CD1-CG2 3.43Å; L310-V393 VanDerWaalsContact CD1-CG2 3.43Å; L310-L405 PolarHBondContact N-O 2.85Å; L310-V406 HydrophobicContact CD2-CG1 4.45Å; L310-H407 PolarHBondContact O-N 3.35Å; L310-I418 HydrophobicContact CD1-CG2 4.41Å; L310-I418 HydrophobicContact CD2-CD1 3.91Å
311	D	98.7	Very high	87.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.5	167.3	-170.5	-19.6	0	0	0	108.4	R313 V340 F341 M342 H407	D311-R313 PolarHBondContact O-N 2.83Å; D311-R313 VanDerWaalsContact O-N 3.15Å; D311-R313 WeakPolarHBondContact OD1-CB 3.32Å; D311-R313 VanDerWaalsContact OD1-CG 3.23Å; D311-R313 WeakPolarHBondContact OD1-CG 3.4Å; D311-R313 IonicContact OD1-CZ 3.76Å; D311-R313 PolarHBondContact OD1-N 2.89Å; D311-R313 IonicContact OD1-NE 2.85Å; D311-R313 PolarHBondContact OD1-NE 3.4Å; D311-R313 IonicContact OD1-NH2 3.9Å; D311-R313 IonicContact OD2-CZ 3.18Å; D311-R313 VanDerWaalsContact OD2-CZ 3.24Å; D311-R313 IonicContact OD2-NE 2.74Å; D311-R313 PolarHBondContact OD2-NE 3.37Å; D311-R313 IonicContact OD2-NH2 2.68Å; D311-R313 PolarHBondContact OD2-NH2 3.17Å; D311-V340 PolarHBondContact N-O 3.44Å; D311-F341 HydrophobicContact CB-CD1 3.74Å; D311-F341 HydrophobicContact CB-CE1 3.88Å; D311-F341 WeakPolarHBondContact O-CA 3.32Å; D311-F341 WeakPolarHBondContact OD2-CE1 3.48Å; D311-M342 PolarHBondContact O-N 3.23Å; D311-H407 VanDerWaalsContact CG-CE1 3.44Å; D311-H407 IonicContact OD2-CE1 3.35Å; D311-H407 PolarHBondContact OD2-CE1 3.21Å
312	A	98.6	Very high	89.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-62.8	-20.8	178.6	0	0	0	0	0	113	G343 M344 H407 C408 R414 I418	A312-G343 PolarHBondContact O-N 2.85Å; A312-M344 HydrophobicContact CB-SD 4Å; A312-M344 WeakPolarHBondContact O-CA 3.23Å; A312-M344 WeakPolarHBondContact O-CB 3.22Å; A312-M344 PolarHBondContact O-N 2.91Å; A312-H407 PolarHBondContact N-O 3.44Å; A312-C408 HydrophobicContact CB-CB 3.9Å; A312-R414 HydrophobicContact CB-CB 3.58Å; A312-R414 HydrophobicContact CB-CG 4.32Å; A312-I418 HydrophobicContact CB-CD1 3.67Å
313	R	98.3	Very high	91.6	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.261	C	S	.	.	S	Bend	trans	-75.7	170.5	-173.8	-61.6	174.7	-65.3	-177.1	8	112.7	D311 A317 N321 G327 F341 M342 G343 C408 S409	D311-R313 PolarHBondContact O-N 2.83Å; D311-R313 VanDerWaalsContact O-N 3.15Å; D311-R313 WeakPolarHBondContact OD1-CB 3.32Å; D311-R313 VanDerWaalsContact OD1-CG 3.23Å; D311-R313 WeakPolarHBondContact OD1-CG 3.4Å; D311-R313 IonicContact OD1-CZ 3.76Å; D311-R313 PolarHBondContact OD1-N 2.89Å; D311-R313 IonicContact OD1-NE 2.85Å; D311-R313 PolarHBondContact OD1-NE 3.4Å; D311-R313 IonicContact OD1-NH2 3.9Å; D311-R313 IonicContact OD2-CZ 3.18Å; D311-R313 VanDerWaalsContact OD2-CZ 3.24Å; D311-R313 IonicContact OD2-NE 2.74Å; D311-R313 PolarHBondContact OD2-NE 3.37Å; D311-R313 IonicContact OD2-NH2 2.68Å; D311-R313 PolarHBondContact OD2-NH2 3.17Å; R313-A317 HydrophobicContact CB-CB 4.25Å; R313-N321 VanDerWaalsContact NH1-CG 3.34Å; R313-N321 PolarHBondContact NH1-OD1 2.97Å; R313-G327 PolarHBondContact NH2-O 3.5Å; R313-F341 CarbonylContact O-C 3.57Å; R313-F341 WeakPolarHBondContact O-CB 3.48Å; R313-M342 PolarHBondContact O-N 2.93Å; R313-G343 PolarHBondContact O-N 3.36Å; R313-C408 HydrophobicContact CG-CB 4.34Å; R313-S409 WeakPolarHBondContact CD-OG 3.48Å; R313-S409 PolarHBondContact NH1-OG 3.35Å; R313-S409 VanDerWaalsContact NH1-OG 3.12Å
314	S	97.2	Very high	93.2	Very high	46 Å²	46	45 Å²	45	32%	0.322	25%	0.247	S	C	.	.			trans	-75.8	154.3	158.7	63	0	0	0	0	109.9	A316 A317 A318	S314-A316 VanDerWaalsContact C-N 3.27Å; S314-A316 PolarHBondContact O-N 2.85Å; S314-A317 PolarHBondContact O-N 2.78Å; S314-A317 VanDerWaalsContact O-N 3.09Å; S314-A317 VanDerWaalsContact OG-CB 3.31Å; S314-A317 WeakPolarHBondContact OG-CB 3.39Å; S314-A317 PolarHBondContact OG-N 2.99Å; S314-A318 PolarHBondContact O-N 2.91Å
315	Y	95.9	Very high	94.4	Very high	145 Å²	145	43.6 Å²	43.6	57%	0.569	24%	0.242	S	C	*	.	H	α-helix	trans	-54.4	-44.5	173.4	177.7	-104.5	0	0	0	111.8	A317 A318 V319 F341	Y315-A317 VanDerWaalsContact C-N 3.33Å; Y315-A317 PolarHBondContact O-N 2.9Å; Y315-A318 WeakPolarHBondContact O-CB 3.01Å; Y315-A318 PolarHBondContact O-N 3.22Å; Y315-A318 VanDerWaalsContact O-N 3.12Å; Y315-V319 HydrophobicContact CD1-CG2 4.22Å; Y315-V319 HydrophobicContact CD2-CG2 4.46Å; Y315-V319 HydrophobicContact CE1-CG2 3.78Å; Y315-V319 HydrophobicContact CE2-CG2 4.05Å; Y315-V319 WeakPolarHBondContact O-CG2 3.32Å; Y315-V319 PolarHBondContact O-N 2.83Å; Y315-F341 HydrophobicContact CD2-CD2 4.17Å; Y315-F341 HydrophobicContact CD2-CE1 4.43Å; Y315-F341 AromaticContact CD2-CE2 3.75Å; Y315-F341 HydrophobicContact CD2-CE2 3.75Å; Y315-F341 AromaticContact CD2-CZ 3.9Å; Y315-F341 HydrophobicContact CD2-CZ 3.9Å
316	A	96.3	Very high	95	Very high	71 Å²	71	39.1 Å²	39.1	59%	0.587	22%	0.222	S	C	*	.	H	α-helix	trans	-58	-41.5	175.7	0	0	0	0	0	112.8	S314 V319 A320	S314-A316 VanDerWaalsContact C-N 3.27Å; S314-A316 PolarHBondContact O-N 2.85Å; A316-V319 PolarHBondContact O-N 3.15Å; A316-A320 WeakPolarHBondContact O-CB 3.26Å; A316-A320 PolarHBondContact O-N 2.98Å
317	A	95.9	Very high	95.1	Very high	30 Å²	30	33.6 Å²	33.6	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-34.1	176	0	0	0	0	0	112.6	R313 S314 Y315 A320 N321	R313-A317 HydrophobicContact CB-CB 4.25Å; S314-A317 PolarHBondContact O-N 2.78Å; S314-A317 VanDerWaalsContact O-N 3.09Å; S314-A317 VanDerWaalsContact OG-CB 3.31Å; S314-A317 WeakPolarHBondContact OG-CB 3.39Å; S314-A317 PolarHBondContact OG-N 2.99Å; Y315-A317 VanDerWaalsContact C-N 3.33Å; Y315-A317 PolarHBondContact O-N 2.9Å; A317-A320 PolarHBondContact O-N 2.87Å; A317-N321 WeakPolarHBondContact O-CB 3.4Å; A317-N321 PolarHBondContact O-N 3.47Å; A317-N321 PolarHBondContact O-ND2 3.02Å
318	A	94.9	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-40.8	172.7	0	0	0	0	0	111.9	S314 Y315 N321 R322 C328 F341	S314-A318 PolarHBondContact O-N 2.91Å; Y315-A318 WeakPolarHBondContact O-CB 3.01Å; Y315-A318 PolarHBondContact O-N 3.22Å; Y315-A318 VanDerWaalsContact O-N 3.12Å; A318-N321 WeakPolarHBondContact O-CB 3.5Å; A318-N321 PolarHBondContact O-N 3.44Å; A318-R322 PolarHBondContact O-N 2.77Å; A318-C328 HydrophobicContact CB-CB 4.27Å; A318-F341 HydrophobicContact CB-CD1 4.25Å; A318-F341 HydrophobicContact CB-CE1 3.66Å
319	V	93.9	Very high	94.9	Very high	50 Å²	50	34.5 Å²	34.5	30%	0.303	20%	0.204	S	C	.	.	H	α-helix	trans	-65.2	-41.2	172.8	173.5	0	0	0	0	111.6	Y315 A316 N321 R322 A323	Y315-V319 HydrophobicContact CD1-CG2 4.22Å; Y315-V319 HydrophobicContact CD2-CG2 4.46Å; Y315-V319 HydrophobicContact CE1-CG2 3.78Å; Y315-V319 HydrophobicContact CE2-CG2 4.05Å; Y315-V319 WeakPolarHBondContact O-CG2 3.32Å; Y315-V319 PolarHBondContact O-N 2.83Å; A316-V319 PolarHBondContact O-N 3.15Å; V319-N321 VanDerWaalsContact C-N 3.31Å; V319-N321 PolarHBondContact O-N 2.97Å; V319-R322 WeakPolarHBondContact O-CA 3.31Å; V319-R322 WeakPolarHBondContact O-CB 3.49Å; V319-R322 PolarHBondContact O-N 2.88Å; V319-R322 VanDerWaalsContact O-N 3.09Å; V319-A323 PolarHBondContact O-N 3.34Å; V319-A323 VanDerWaalsContact O-N 3.07Å
320	A	94.4	Very high	94.6	Very high	44 Å²	44	36.6 Å²	36.6	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-33.4	174.1	0	0	0	0	0	112.7	A316 A317 K324	A316-A320 WeakPolarHBondContact O-CB 3.26Å; A316-A320 PolarHBondContact O-N 2.98Å; A317-A320 PolarHBondContact O-N 2.87Å; A320-K324 WeakPolarHBondContact O-CG 3.38Å
321	N	93.2	Very high	94.1	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-36.7	170	-85.2	-111.3	0	0	0	111.6	Q237 R313 A317 A318 V319 A323 K324 G325 G326 S409	Q237-N321 PolarHBondContact NE2-OD1 3.42Å; R313-N321 VanDerWaalsContact NH1-CG 3.34Å; R313-N321 PolarHBondContact NH1-OD1 2.97Å; A317-N321 WeakPolarHBondContact O-CB 3.4Å; A317-N321 PolarHBondContact O-N 3.47Å; A317-N321 PolarHBondContact O-ND2 3.02Å; A318-N321 WeakPolarHBondContact O-CB 3.5Å; A318-N321 PolarHBondContact O-N 3.44Å; V319-N321 VanDerWaalsContact C-N 3.31Å; V319-N321 PolarHBondContact O-N 2.97Å; N321-A323 VanDerWaalsContact C-N 3.33Å; N321-A323 PolarHBondContact O-N 2.99Å; N321-K324 CarbonylContact O-C 3.53Å; N321-K324 WeakPolarHBondContact O-CA 3.48Å; N321-K324 PolarHBondContact O-N 3.31Å; N321-G325 PolarHBondContact O-N 2.96Å; N321-G326 WeakPolarHBondContact O-CA 3.24Å; N321-G326 PolarHBondContact O-N 2.7Å; N321-S409 PolarHBondContact OD1-OG 2.9Å
322	R	92.8	Very high	93.6	Very high	86 Å²	86	46.4 Å²	46.4	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-41.7	175.5	-170.2	177.4	166.4	-174.6	-10.8	112.4	S241 W242 A318 V319 K324 G325 G326	S241-R322 CarbonylContact C-O 3.58Å; S241-R322 WeakPolarHBondContact CA-O 3.48Å; S241-R322 WeakPolarHBondContact O-CG 3.25Å; S241-R322 PolarHBondContact O-NE 3.25Å; W242-R322 PolarHBondContact N-O 3.06Å; W242-R322 VanDerWaalsContact N-O 3.08Å; W242-R322 PolarHBondContact O-NH2 3.47Å; A318-R322 PolarHBondContact O-N 2.77Å; V319-R322 WeakPolarHBondContact O-CA 3.31Å; V319-R322 WeakPolarHBondContact O-CB 3.49Å; V319-R322 PolarHBondContact O-N 2.88Å; V319-R322 VanDerWaalsContact O-N 3.09Å; R322-K324 PolarHBondContact O-N 3.07Å; R322-G325 PolarHBondContact O-N 3.06Å; R322-G326 WeakPolarHBondContact CA-O 3.42Å
323	A	91.6	Very high	93.2	Very high	61 Å²	61	51 Å²	51	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-24.5	173.3	0	0	0	0	0	113.5	W242 V319 N321	W242-A323 HydrophobicContact CE3-CB 4.15Å; W242-A323 HydrophobicContact CZ3-CB 4.41Å; V319-A323 PolarHBondContact O-N 3.34Å; V319-A323 VanDerWaalsContact O-N 3.07Å; N321-A323 VanDerWaalsContact C-N 3.33Å; N321-A323 PolarHBondContact O-N 2.99Å
324	K	90.2	Very high	93	Very high	109 Å²	109	51.5 Å²	51.5	47%	0.474	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	13.3	178.8	-61.5	171	-177	177.3	0	113.8	A320 N321 R322 T883	A320-K324 WeakPolarHBondContact O-CG 3.38Å; N321-K324 CarbonylContact O-C 3.53Å; N321-K324 WeakPolarHBondContact O-CA 3.48Å; N321-K324 PolarHBondContact O-N 3.31Å; R322-K324 PolarHBondContact O-N 3.07Å; K324-T883 PolarHBondContact NZ-O 3.24Å
325	G	89.6	Confident	92.4	Very high	23 Å²	23	53.4 Å²	53.4	24%	0.237	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	-20.9	179.4	0	0	0	0	0	115.5	E239 S241 N321 R322	E239-G325 CarbonylContact C-O 3.54Å; E239-G325 VanDerWaalsContact C-O 3.26Å; E239-G325 VanDerWaalsContact CA-O 3.23Å; E239-G325 WeakPolarHBondContact CA-O 3.5Å; S241-G325 WeakPolarHBondContact CA-O 3.49Å; S241-G325 PolarHBondContact N-O 2.91Å; S241-G325 VanDerWaalsContact N-O 3.12Å; N321-G325 PolarHBondContact O-N 2.96Å; R322-G325 PolarHBondContact O-N 3.06Å
326	G	93.3	Very high	92.1	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	29%	0.291	C	S	.	.			trans	-74.9	-144.5	174	0	0	0	0	0	113	P238 V240 S241 N321 R322	P238-G326 CarbonylContact O-C 3.26Å; V240-G326 PolarHBondContact N-O 3.39Å; S241-G326 PolarHBondContact N-O 3.23Å; N321-G326 WeakPolarHBondContact O-CA 3.24Å; N321-G326 PolarHBondContact O-N 2.7Å; R322-G326 WeakPolarHBondContact CA-O 3.42Å
327	G	92.1	Very high	91.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.			trans	149.3	-154.8	174.1	0	0	0	0	0	114.1	Q237 P238 R313	Q237-G327 PolarHBondContact OE1-O 2.97Å; P238-G327 PolarHBondContact O-N 3.48Å; P238-G327 VanDerWaalsContact O-N 3.13Å; R313-G327 PolarHBondContact NH2-O 3.5Å
328	C	94.6	Very high	91.9	Very high	22 Å²	22	49.5 Å²	49.5	15%	0.149	28%	0.275	C	S	.	.			trans	-151.2	157.9	178.1	58.4	0	0	0	0	109.6	A318 F341	A318-C328 HydrophobicContact CB-CB 4.27Å; C328-F341 HydrophobicContact CB-CE1 4.1Å; C328-F341 HydrophobicContact CB-CZ 4.08Å
329	E	95.2	Very high	92	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.023	28%	0.283	C	S	.	.			trans	-63	137.2	-178.8	-69.4	87	151.5	0	0	111.6	R213 P238 I309 Y334 V339 H407	R213-E329 IonicContact CZ-OE1 3.56Å; R213-E329 IonicContact NH1-OE1 2.74Å; R213-E329 PolarHBondContact NH1-OE1 2.91Å; R213-E329 IonicContact NH2-OE1 2.75Å; R213-E329 PolarHBondContact NH2-OE1 2.96Å; P238-E329 WeakPolarHBondContact CD-OE2 3.46Å; P238-E329 HydrophobicContact CG-CG 4.22Å; P238-E329 WeakPolarHBondContact CG-OE2 3.44Å; I309-E329 HydrophobicContact CD1-CB 3.74Å; I309-E329 HydrophobicContact CD1-CG 3.71Å; E329-Y334 HydrophobicContact CB-CD1 4.45Å; E329-Y334 HydrophobicContact CB-CD2 3.78Å; E329-Y334 HydrophobicContact CB-CE2 3.88Å; E329-Y334 HydrophobicContact CB-CG 4.11Å; E329-Y334 HydrophobicContact CG-CD1 4.14Å; E329-Y334 HydrophobicContact CG-CD2 4.14Å; E329-Y334 HydrophobicContact CG-CE1 3.85Å; E329-Y334 HydrophobicContact CG-CE2 3.87Å; E329-Y334 HydrophobicContact CG-CG 4.3Å; E329-V339 HydrophobicContact CB-CG2 4.26Å; E329-H407 IonicContact OE2-CE1 3.89Å; E329-H407 IonicContact OE2-NE2 3.82Å; E329-H407 PolarHBondContact OE2-NE2 3.16Å
330	C	91.1	Very high	92.1	Very high	44 Å²	44	50.3 Å²	50.3	30%	0.297	28%	0.28	S	S	.	.			trans	-102.4	119.1	-177.6	-145.4	0	0	0	0	108.9	E332 Y333 Y334	C330-E332 PolarHBondContact O-N 2.85Å; C330-E332 PolarHBondContact SG-OE2 2.82Å; C330-Y333 HydrophobicContact CB-CD2 3.69Å; C330-Y333 HydrophobicContact CB-CE2 4.09Å; C330-Y333 HydrophobicContact CB-CG 4.43Å; C330-Y333 PolarHBondContact O-N 2.85Å; C330-Y334 WeakPolarHBondContact O-CD2 3.45Å; C330-Y334 PolarHBondContact O-N 3.03Å; C330-Y334 VanDerWaalsContact O-N 3.1Å
331	P	87.5	Confident	92.3	Very high	68 Å²	68	51 Å²	51	44%	0.442	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.7	-172.8	-29.9	36.9	0	0	0	115.2	Y333 Y334 P335	P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 PolarHBondContact O-N 2.81Å; P331-Y334 CarbonylContact O-C 3.58Å; P331-Y334 VanDerWaalsContact O-C 3.26Å; P331-Y334 PolarHBondContact O-N 2.98Å; P331-P335 WeakPolarHBondContact O-CA 3.43Å
332	E	89	Confident	92.5	Very high	138 Å²	138	50.9 Å²	50.9	65%	0.645	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.4	176.2	-62	73.2	-159.1	0	0	113.4	C330	C330-E332 PolarHBondContact O-N 2.85Å; C330-E332 PolarHBondContact SG-OE2 2.82Å
333	Y	90.6	Very high	92.8	Very high	96 Å²	96	48.7 Å²	48.7	38%	0.376	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-19.6	179.1	-50.5	-35.2	0	0	0	112.4	R246 C330 P331 P335	R246-Y333 HydrophobicContact CG-CD2 3.84Å; R246-Y333 HydrophobicContact CG-CE2 4.03Å; R246-Y333 HydrophobicContact CG-CG 4.41Å; R246-Y333 VanDerWaalsContact CZ-CD1 3.41Å; C330-Y333 HydrophobicContact CB-CD2 3.69Å; C330-Y333 HydrophobicContact CB-CE2 4.09Å; C330-Y333 HydrophobicContact CB-CG 4.43Å; C330-Y333 PolarHBondContact O-N 2.85Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 PolarHBondContact O-N 2.81Å; Y333-P335 WeakPolarHBondContact O-CD 3.4Å
334	Y	93.3	Very high	93.1	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.047	26%	0.257	C	S	.	.	S	Bend	trans	-115	59.8	175	-60.9	-101.2	0	0	0	110.1	D250 E251 V254 E329 C330 P331 N336 C337	D250-Y334 PolarHBondContact OD2-OH 2.85Å; D250-Y334 VanDerWaalsContact OD2-OH 3.1Å; E251-Y334 HydrophobicContact CB-CE1 4.48Å; E251-Y334 HydrophobicContact CG-CD1 4.43Å; E251-Y334 HydrophobicContact CG-CE1 3.94Å; E251-Y334 HydrophobicContact CG-CE2 4.13Å; V254-Y334 HydrophobicContact CB-CD1 4.29Å; V254-Y334 HydrophobicContact CB-CE1 4.39Å; V254-Y334 HydrophobicContact CG1-CD1 4.25Å; V254-Y334 HydrophobicContact CG2-CE1 4.27Å; E329-Y334 HydrophobicContact CB-CD1 4.45Å; E329-Y334 HydrophobicContact CB-CD2 3.78Å; E329-Y334 HydrophobicContact CB-CE2 3.88Å; E329-Y334 HydrophobicContact CB-CG 4.11Å; E329-Y334 HydrophobicContact CG-CD1 4.14Å; E329-Y334 HydrophobicContact CG-CD2 4.14Å; E329-Y334 HydrophobicContact CG-CE1 3.85Å; E329-Y334 HydrophobicContact CG-CE2 3.87Å; E329-Y334 HydrophobicContact CG-CG 4.3Å; C330-Y334 WeakPolarHBondContact O-CD2 3.45Å; C330-Y334 PolarHBondContact O-N 3.03Å; C330-Y334 VanDerWaalsContact O-N 3.1Å; P331-Y334 CarbonylContact O-C 3.58Å; P331-Y334 VanDerWaalsContact O-C 3.26Å; P331-Y334 PolarHBondContact O-N 2.98Å; Y334-N336 PolarHBondContact O-N 2.79Å; Y334-C337 VanDerWaalsContact O-CB 3.3Å; Y334-C337 WeakPolarHBondContact O-CB 3.37Å; Y334-C337 PolarHBondContact O-N 2.73Å
335	P	85.1	Confident	93.4	Very high	87 Å²	87	42.5 Å²	42.5	57%	0.565	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.7	-163.4	26.5	-37.6	0	0	0	115.6	P331 Y333	P331-P335 WeakPolarHBondContact O-CA 3.43Å; Y333-P335 WeakPolarHBondContact O-CD 3.4Å
336	N	88.9	Confident	93.7	Very high	62 Å²	62	43 Å²	43	33%	0.332	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.8	174.1	-67	-81.8	0	0	0	112.5	Q255 K306 L307 Y334	Q255-N336 PolarHBondContact NE2-ND2 3.16Å; Q255-N336 VanDerWaalsContact NE2-ND2 3.14Å; K306-N336 CarbonylContact C-O 3.54Å; K306-N336 WeakPolarHBondContact CA-O 3.46Å; K306-N336 WeakPolarHBondContact CB-O 3.25Å; L307-N336 PolarHBondContact N-O 2.64Å; Y334-N336 PolarHBondContact O-N 2.79Å
337	C	93.9	Very high	93.9	Very high	13 Å²	13	43.9 Å²	43.9	9%	0.088	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	172.9	178.7	-55.9	0	0	0	0	111.5	L307 I309 Y334	L307-C337 CarbonylContact O-C 3.58Å; L307-C337 VanDerWaalsContact O-CA 3.31Å; L307-C337 WeakPolarHBondContact O-CA 3.37Å; I309-C337 HydrophobicContact CD1-CB 3.86Å; I309-C337 HydrophobicContact CG1-CB 4.14Å; Y334-C337 VanDerWaalsContact O-CB 3.3Å; Y334-C337 WeakPolarHBondContact O-CB 3.37Å; Y334-C337 PolarHBondContact O-N 2.73Å
338	E	95	Very high	94.1	Very high	88 Å²	88	45.9 Å²	45.9	41%	0.411	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.2	171.1	-174.6	-176.3	164.5	0	0	107	L307 I309 R402	L307-E338 PolarHBondContact O-N 3.08Å; I309-E338 PolarHBondContact N-O 3.02Å; E338-R402 IonicContact OE2-CZ 3.23Å; E338-R402 IonicContact OE2-NH1 3.67Å; E338-R402 PolarHBondContact OE2-NH1 3.03Å; E338-R402 IonicContact OE2-NH2 2.81Å; E338-R402 PolarHBondContact OE2-NH2 3.31Å
339	V	96	Very high	94.3	Very high	29 Å²	29	47.4 Å²	47.4	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125	-175.1	-171	0	0	0	0	109.9	I309 E329 F341	I309-V339 HydrophobicContact CB-CG2 4.22Å; I309-V339 HydrophobicContact CD1-CG2 4.36Å; I309-V339 HydrophobicContact CG2-CG1 4.41Å; I309-V339 CarbonylContact O-C 3.55Å; I309-V339 WeakPolarHBondContact O-CA 3.42Å; E329-V339 HydrophobicContact CB-CG2 4.26Å; V339-F341 HydrophobicContact CB-CE2 4.44Å; V339-F341 HydrophobicContact CG1-CD2 4.43Å; V339-F341 HydrophobicContact CG1-CE1 4.33Å; V339-F341 HydrophobicContact CG1-CE2 3.72Å; V339-F341 HydrophobicContact CG1-CZ 3.66Å
340	V	97.8	Very high	94.4	Very high	38 Å²	38	47.7 Å²	47.7	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.5	178.7	175.6	0	0	0	0	109.6	L308 I309 D311 M342	L308-V340 HydrophobicContact CD1-CB 4.31Å; L308-V340 HydrophobicContact CD1-CG2 3.71Å; I309-V340 PolarHBondContact O-N 3.33Å; D311-V340 PolarHBondContact N-O 3.44Å; V340-M342 HydrophobicContact CG1-SD 4.14Å
341	F	98.3	Very high	94.7	Very high	58 Å²	58	48.2 Å²	48.2	25%	0.254	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.8	179.5	-65	-83	0	0	0	110.4	D311 R313 Y315 A318 C328 V339	D311-F341 HydrophobicContact CB-CD1 3.74Å; D311-F341 HydrophobicContact CB-CE1 3.88Å; D311-F341 WeakPolarHBondContact O-CA 3.32Å; D311-F341 WeakPolarHBondContact OD2-CE1 3.48Å; R313-F341 CarbonylContact O-C 3.57Å; R313-F341 WeakPolarHBondContact O-CB 3.48Å; Y315-F341 HydrophobicContact CD2-CD2 4.17Å; Y315-F341 HydrophobicContact CD2-CE1 4.43Å; Y315-F341 AromaticContact CD2-CE2 3.75Å; Y315-F341 HydrophobicContact CD2-CE2 3.75Å; Y315-F341 AromaticContact CD2-CZ 3.9Å; Y315-F341 HydrophobicContact CD2-CZ 3.9Å; A318-F341 HydrophobicContact CB-CD1 4.25Å; A318-F341 HydrophobicContact CB-CE1 3.66Å; C328-F341 HydrophobicContact CB-CE1 4.1Å; C328-F341 HydrophobicContact CB-CZ 4.08Å; V339-F341 HydrophobicContact CB-CE2 4.44Å; V339-F341 HydrophobicContact CG1-CD2 4.43Å; V339-F341 HydrophobicContact CG1-CE1 4.33Å; V339-F341 HydrophobicContact CG1-CE2 3.72Å; V339-F341 HydrophobicContact CG1-CZ 3.66Å
342	M	97.9	Very high	95.2	Very high	26 Å²	26	52 Å²	52	13%	0.128	27%	0.272	C	S	.	.			trans	-81.9	-12.6	-175	-67.8	-55.4	-47.4	0	0	115.1	L310 D311 R313 V340 M344 L385 A389 L392	L310-M342 HydrophobicContact CD1-CG 4.35Å; L310-M342 HydrophobicContact CD2-CB 4.49Å; L310-M342 HydrophobicContact CD2-CG 3.43Å; L310-M342 VanDerWaalsContact CD2-CG 3.43Å; L310-M342 HydrophobicContact CG-CG 3.91Å; L310-M342 HydrophobicContact CG-SD 4.44Å; D311-M342 PolarHBondContact O-N 3.23Å; R313-M342 PolarHBondContact O-N 2.93Å; V340-M342 HydrophobicContact CG1-SD 4.14Å; M342-M344 VanDerWaalsContact C-N 3.32Å; M342-M344 HydrophobicContact CB-CG 4.05Å; M342-M344 HydrophobicContact CB-SD 4.19Å; M342-M344 PolarHBondContact O-N 3.29Å; M342-L385 HydrophobicContact CE-CD1 4.3Å; M342-A389 HydrophobicContact CE-CB 3.95Å; M342-A389 HydrophobicContact CG-CB 3.97Å; M342-A389 HydrophobicContact SD-CB 4.36Å; M342-L392 HydrophobicContact SD-CD1 4.38Å
343	G	97.4	Very high	95.7	Very high	40 Å²	40	45.7 Å²	45.7	41%	0.412	24%	0.243	S	C	.	.			trans	72	18.4	178.4	0	0	0	0	0	115.4	A312 R313	A312-G343 PolarHBondContact O-N 2.85Å; R313-G343 PolarHBondContact O-N 3.36Å
344	M	98.1	Very high	96	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.074	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-74.2	131.4	-176.2	-60.3	168.1	59.6	0	0	112.4	A312 M342 L385 L386 A389 R414 I418	A312-M344 HydrophobicContact CB-SD 4Å; A312-M344 WeakPolarHBondContact O-CA 3.23Å; A312-M344 WeakPolarHBondContact O-CB 3.22Å; A312-M344 PolarHBondContact O-N 2.91Å; M342-M344 VanDerWaalsContact C-N 3.32Å; M342-M344 HydrophobicContact CB-CG 4.05Å; M342-M344 HydrophobicContact CB-SD 4.19Å; M342-M344 PolarHBondContact O-N 3.29Å; M344-L385 HydrophobicContact CB-CD2 4.38Å; M344-L385 HydrophobicContact CG-CD2 3.79Å; M344-L385 HydrophobicContact CG-CG 3.89Å; M344-L386 HydrophobicContact CE-CB 4.13Å; M344-L386 HydrophobicContact CE-CD1 3.72Å; M344-L386 HydrophobicContact CE-CG 4.43Å; M344-A389 HydrophobicContact SD-CB 3.93Å; M344-R414 HydrophobicContact CE-CB 4.21Å; M344-R414 HydrophobicContact CE-CG 4.11Å; M344-R414 PolarHBondContact O-NH1 3.25Å; M344-I418 HydrophobicContact CE-CD1 4.34Å; M344-I418 HydrophobicContact CE-CG1 4.27Å; M344-I418 HydrophobicContact SD-CD1 3.81Å; M344-I418 HydrophobicContact SD-CG1 4.17Å
345	A	97	Very high	96.1	Very high	24 Å²	24	44.7 Å²	44.7	20%	0.198	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-52.1	152.4	179.2	0	0	0	0	0	114.2	I350 R414	A345-I350 HydrophobicContact CB-CD1 3.85Å; A345-I350 HydrophobicContact CB-CG1 4.28Å; A345-R414 WeakPolarHBondContact O-CD 3.27Å; A345-R414 PolarHBondContact O-NH1 3.36Å
346	N	96.8	Very high	96.6	Very high	35 Å²	35	42.9 Å²	42.9	19%	0.187	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-82.3	172.7	174.8	69.4	6.4	0	0	0	112.2	H348 S349 I350 E884	N346-H348 VanDerWaalsContact C-N 3.29Å; N346-H348 PolarHBondContact O-N 2.93Å; N346-H348 PolarHBondContact OD1-N 2.93Å; N346-S349 WeakPolarHBondContact O-CB 3.19Å; N346-S349 PolarHBondContact O-N 2.89Å; N346-S349 VanDerWaalsContact O-N 3.14Å; N346-S349 VanDerWaalsContact OD1-CB 3.29Å; N346-S349 WeakPolarHBondContact OD1-CB 3.48Å; N346-S349 PolarHBondContact OD1-N 3.46Å; N346-S349 PolarHBondContact OD1-OG 2.73Å; N346-I350 PolarHBondContact O-N 3.26Å; N346-E884 PolarHBondContact ND2-OE2 3.21Å
347	I	97.3	Very high	97	Very high	21 Å²	21	40 Å²	40	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-38.4	-177.1	62.4	174.9	0	0	0	112.6	S349 I350 R351 D413 C468 V470	I347-S349 VanDerWaalsContact C-N 3.34Å; I347-S349 PolarHBondContact O-N 3.25Å; I347-I350 PolarHBondContact O-N 3.05Å; I347-R351 WeakPolarHBondContact O-CB 3.25Å; I347-R351 PolarHBondContact O-N 3.33Å; I347-D413 HydrophobicContact CG2-CB 4.4Å; I347-C468 HydrophobicContact CB-CB 3.86Å; I347-C468 HydrophobicContact CG2-CB 4.32Å; I347-C468 PolarHBondContact O-SG 2.8Å; I347-V470 HydrophobicContact CG2-CG2 4.18Å
348	H	96.4	Very high	97	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.199	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-36.3	179.4	-46.3	-45.5	0	0	0	112.1	N346 K352 N465 E884	N346-H348 VanDerWaalsContact C-N 3.29Å; N346-H348 PolarHBondContact O-N 2.93Å; N346-H348 PolarHBondContact OD1-N 2.93Å; H348-K352 WeakPolarHBondContact O-CB 3.49Å; H348-K352 PolarHBondContact O-N 2.91Å; H348-N465 PolarHBondContact CE1-O 2.97Å; H348-N465 PolarHBondContact ND1-O 3.07Å; H348-E884 IonicContact CD2-OE2 3.17Å
349	S	97.8	Very high	96.8	Very high	54 Å²	54	43 Å²	43	38%	0.378	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-42.7	174.8	-61.3	0	0	0	0	112.2	N346 I347 K352 S353	N346-S349 WeakPolarHBondContact O-CB 3.19Å; N346-S349 PolarHBondContact O-N 2.89Å; N346-S349 VanDerWaalsContact O-N 3.14Å; N346-S349 VanDerWaalsContact OD1-CB 3.29Å; N346-S349 WeakPolarHBondContact OD1-CB 3.48Å; N346-S349 PolarHBondContact OD1-N 3.46Å; N346-S349 PolarHBondContact OD1-OG 2.73Å; I347-S349 VanDerWaalsContact C-N 3.34Å; I347-S349 PolarHBondContact O-N 3.25Å; S349-K352 PolarHBondContact O-N 2.97Å; S349-S353 PolarHBondContact O-N 3.25Å
350	I	98.3	Very high	96.6	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-41	174.9	-63	-52.9	0	0	0	111	A345 N346 I347 K352 S353 F354 W379 H382 P469	A345-I350 HydrophobicContact CB-CD1 3.85Å; A345-I350 HydrophobicContact CB-CG1 4.28Å; N346-I350 PolarHBondContact O-N 3.26Å; I347-I350 PolarHBondContact O-N 3.05Å; I350-K352 PolarHBondContact O-N 2.89Å; I350-S353 PolarHBondContact O-N 2.99Å; I350-F354 WeakPolarHBondContact O-CB 3.49Å; I350-F354 PolarHBondContact O-N 3.07Å; I350-W379 HydrophobicContact CG2-CZ3 4.06Å; I350-H382 HydrophobicContact CD1-CB 3.91Å; I350-P469 HydrophobicContact CG2-CG 4.33Å
351	R	97.2	Very high	96.2	Very high	55 Å²	55	41.3 Å²	41.3	21%	0.208	22%	0.216	C	C	.	.	H	α-helix	trans	-55.5	-48.2	170.7	174.4	176.6	62.1	157	-2.6	111.5	I347 F354 Q355 L464 N465 R467	I347-R351 WeakPolarHBondContact O-CB 3.25Å; I347-R351 PolarHBondContact O-N 3.33Å; R351-F354 PolarHBondContact O-N 3.11Å; R351-Q355 WeakPolarHBondContact O-CB 3.05Å; R351-Q355 VanDerWaalsContact O-CG 3.3Å; R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 2.86Å; R351-L464 PolarHBondContact NH1-O 2.95Å; R351-N465 PolarHBondContact NH1-OD1 3.44Å; R351-N465 PolarHBondContact NH2-OD1 3.09Å; R351-R467 WeakPolarHBondContact CD-O 3.5Å
352	K	97.4	Very high	95.6	Very high	147 Å²	147	40.1 Å²	40.1	64%	0.639	21%	0.213	S	C	*	.	H	α-helix	trans	-62.4	-44.9	177.5	-173.7	175.4	179.8	177.6	0	112.1	H348 S349 I350 F354 Q355 S356	H348-K352 WeakPolarHBondContact O-CB 3.49Å; H348-K352 PolarHBondContact O-N 2.91Å; S349-K352 PolarHBondContact O-N 2.97Å; I350-K352 PolarHBondContact O-N 2.89Å; K352-F354 PolarHBondContact O-N 3.45Å; K352-Q355 PolarHBondContact O-N 3.29Å; K352-S356 PolarHBondContact O-N 2.88Å; K352-S356 PolarHBondContact O-OG 3.07Å
353	S	98.5	Very high	94.8	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-46.4	174.8	175.3	0	0	0	0	112.1	S349 I350 S356 L357 T377 W379 H382	S349-S353 PolarHBondContact O-N 3.25Å; I350-S353 PolarHBondContact O-N 2.99Å; S353-S356 WeakPolarHBondContact O-CB 3.19Å; S353-S356 PolarHBondContact O-N 3.33Å; S353-L357 PolarHBondContact O-N 2.96Å; S353-T377 WeakPolarHBondContact CA-O 3.31Å; S353-T377 VanDerWaalsContact CB-O 3.29Å; S353-T377 WeakPolarHBondContact CB-O 3.28Å; S353-T377 PolarHBondContact OG-O 3.26Å; S353-W379 WeakPolarHBondContact OG-CA 3.22Å; S353-W379 PolarHBondContact OG-N 2.77Å; S353-H382 PolarHBondContact OG-CD2 3.26Å
354	F	97.5	Very high	93.6	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-34.3	179.3	-169.3	-109.1	0	0	0	113.2	K92 C94 I350 R351 K352 L357 R358 W379 P469 L472 Y571	K92-F354 VanDerWaalsContact O-CE1 3.32Å; K92-F354 WeakPolarHBondContact O-CE1 3.41Å; K92-F354 WeakPolarHBondContact O-CZ 3.48Å; C94-F354 HydrophobicContact CB-CE1 4.4Å; C94-F354 HydrophobicContact CB-CE2 4Å; C94-F354 HydrophobicContact CB-CZ 3.65Å; I350-F354 WeakPolarHBondContact O-CB 3.49Å; I350-F354 PolarHBondContact O-N 3.07Å; R351-F354 PolarHBondContact O-N 3.11Å; K352-F354 PolarHBondContact O-N 3.45Å; F354-L357 HydrophobicContact CD2-CD2 4.37Å; F354-L357 PolarHBondContact O-N 3.06Å; F354-R358 WeakPolarHBondContact O-CB 3.42Å; F354-R358 PolarHBondContact O-N 2.92Å; F354-W379 HydrophobicContact CB-CE3 4.29Å; F354-W379 HydrophobicContact CB-CZ3 3.9Å; F354-W379 HydrophobicContact CD2-CE3 4.14Å; F354-W379 AromaticContact CD2-CH2 3.76Å; F354-W379 HydrophobicContact CD2-CH2 3.76Å; F354-W379 HydrophobicContact CD2-CZ2 4.24Å; F354-W379 AromaticContact CD2-CZ3 3.71Å; F354-W379 HydrophobicContact CD2-CZ3 3.71Å; F354-W379 HydrophobicContact CE2-CH2 4.35Å; F354-W379 HydrophobicContact CG-CZ3 4.23Å; F354-P469 HydrophobicContact CB-CG 3.84Å; F354-P469 HydrophobicContact CD1-CB 4.37Å; F354-P469 HydrophobicContact CD1-CG 3.84Å; F354-P469 HydrophobicContact CD2-CG 4.12Å; F354-P469 HydrophobicContact CE1-CB 4.43Å; F354-P469 HydrophobicContact CE1-CG 4.38Å; F354-P469 HydrophobicContact CG-CB 4.44Å; F354-P469 HydrophobicContact CG-CG 3.69Å; F354-L472 HydrophobicContact CE2-CD2 3.88Å; F354-L472 HydrophobicContact CZ-CD2 3.64Å; F354-Y571 HydrophobicContact CE2-CD1 4.3Å; F354-Y571 AromaticContact CE2-CE1 3.81Å; F354-Y571 HydrophobicContact CE2-CE1 3.81Å; F354-Y571 HydrophobicContact CZ-CE1 4.43Å
355	Q	95.7	Very high	92.3	Very high	82 Å²	82	51.5 Å²	51.5	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-41.9	170.4	-75.5	168.5	-20.1	0	0	111.5	R351 K352 R358 F359	R351-Q355 WeakPolarHBondContact O-CB 3.05Å; R351-Q355 VanDerWaalsContact O-CG 3.3Å; R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 2.86Å; K352-Q355 PolarHBondContact O-N 3.29Å; Q355-R358 PolarHBondContact O-N 3.23Å; Q355-F359 PolarHBondContact O-N 2.97Å
356	S	96.6	Very high	91.3	Very high	49 Å²	49	54 Å²	54	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-39.1	173.2	-59.3	0	0	0	0	112.5	K352 S353 F359 L360	K352-S356 PolarHBondContact O-N 2.88Å; K352-S356 PolarHBondContact O-OG 3.07Å; S353-S356 WeakPolarHBondContact O-CB 3.19Å; S353-S356 PolarHBondContact O-N 3.33Å; S356-F359 PolarHBondContact O-N 2.68Å; S356-L360 PolarHBondContact O-N 3.37Å
357	L	95.9	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-47.1	174.8	-177	65	0	0	0	112	S353 F354 F359 L360 C361 L374 T377 W379 L566 Y571	S353-L357 PolarHBondContact O-N 2.96Å; F354-L357 HydrophobicContact CD2-CD2 4.37Å; F354-L357 PolarHBondContact O-N 3.06Å; L357-F359 VanDerWaalsContact C-N 3.34Å; L357-F359 PolarHBondContact O-N 2.93Å; L357-L360 WeakPolarHBondContact O-CB 3.46Å; L357-L360 PolarHBondContact O-N 3.42Å; L357-L360 VanDerWaalsContact O-N 3.13Å; L357-C361 PolarHBondContact O-N 2.98Å; L357-C361 PolarHBondContact O-SG 3.5Å; L357-C361 VanDerWaalsContact O-SG 3.39Å; L357-L374 HydrophobicContact CD1-CD1 3.7Å; L357-T377 HydrophobicContact CB-CG2 4.25Å; L357-T377 HydrophobicContact CD1-CG2 4.17Å; L357-W379 HydrophobicContact CD2-CB 4.18Å; L357-W379 HydrophobicContact CD2-CD2 4.05Å; L357-W379 HydrophobicContact CD2-CG 3.74Å; L357-L566 HydrophobicContact CD1-CD1 3.75Å; L357-L566 HydrophobicContact CD2-CD1 4.13Å; L357-L566 HydrophobicContact CG-CD1 4.43Å; L357-Y571 HydrophobicContact CD2-CD2 4.18Å; L357-Y571 HydrophobicContact CD2-CE2 4.29Å; L357-Y571 HydrophobicContact CD2-CG 4.4Å
358	R	93.6	Very high	89.7	Confident	29 Å²	29	60.2 Å²	60.2	11%	0.109	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-45.6	174.1	169	169.6	22.9	141.6	-14.1	111.8	E77 T90 C94 V96 F354 Q355 L360 C361 T362	E77-R358 VanDerWaalsContact CD-NH1 3.27Å; E77-R358 IonicContact OE1-CZ 3.23Å; E77-R358 IonicContact OE1-NH1 3.37Å; E77-R358 PolarHBondContact OE1-NH1 3.09Å; E77-R358 IonicContact OE1-NH2 2.78Å; E77-R358 PolarHBondContact OE1-NH2 2.74Å; E77-R358 IonicContact OE2-CZ 2.8Å; E77-R358 VanDerWaalsContact OE2-CZ 3.23Å; E77-R358 IonicContact OE2-NH1 3.19Å; E77-R358 PolarHBondContact OE2-NH1 3.31Å; E77-R358 IonicContact OE2-NH2 2.67Å; E77-R358 PolarHBondContact OE2-NH2 3.41Å; T90-R358 VanDerWaalsContact CG2-CD 3.48Å; T90-R358 VanDerWaalsContact CG2-NH1 3.3Å; C94-R358 WeakPolarHBondContact SG-CA 3.39Å; V96-R358 HydrophobicContact CG2-CG 4.31Å; F354-R358 WeakPolarHBondContact O-CB 3.42Å; F354-R358 PolarHBondContact O-N 2.92Å; Q355-R358 PolarHBondContact O-N 3.23Å; R358-L360 VanDerWaalsContact C-N 3.28Å; R358-L360 PolarHBondContact O-N 3.05Å; R358-C361 PolarHBondContact O-N 3.29Å; R358-T362 VanDerWaalsContact O-CG2 3.26Å; R358-T362 WeakPolarHBondContact O-CG2 3.15Å; R358-T362 PolarHBondContact O-N 3.15Å; R358-T362 PolarHBondContact O-OG1 2.92Å
359	F	92	Very high	89.3	Confident	135 Å²	135	62.5 Å²	62.5	59%	0.592	34%	0.337	S	S	*	.	H	α-helix	trans	-59.2	-39.5	175.8	-178.6	-114.9	0	0	0	112.3	Q355 S356 L357 T362 Q363	Q355-F359 PolarHBondContact O-N 2.97Å; S356-F359 PolarHBondContact O-N 2.68Å; L357-F359 VanDerWaalsContact C-N 3.34Å; L357-F359 PolarHBondContact O-N 2.93Å; F359-T362 PolarHBondContact O-OG1 3.42Å; F359-Q363 VanDerWaalsContact CE1-NE2 3.29Å; F359-Q363 PolarHBondContact O-NE2 3.39Å
360	L	91.7	Very high	88.9	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-49.2	173	176.8	59.6	0	0	0	112.5	S356 L357 R358 T362 Q363 W370 A373 L374 T377	S356-L360 PolarHBondContact O-N 3.37Å; L357-L360 WeakPolarHBondContact O-CB 3.46Å; L357-L360 PolarHBondContact O-N 3.42Å; L357-L360 VanDerWaalsContact O-N 3.13Å; R358-L360 VanDerWaalsContact C-N 3.28Å; R358-L360 PolarHBondContact O-N 3.05Å; L360-T362 PolarHBondContact O-N 3.39Å; L360-T362 VanDerWaalsContact O-N 3.09Å; L360-Q363 PolarHBondContact O-N 3.16Å; L360-W370 HydrophobicContact CD1-CE3 3.8Å; L360-W370 HydrophobicContact CD1-CZ3 3.64Å; L360-W370 HydrophobicContact CD2-CH2 4.39Å; L360-W370 HydrophobicContact CD2-CZ3 4.26Å; L360-W370 HydrophobicContact CG-CE3 4.21Å; L360-W370 HydrophobicContact CG-CH2 4.07Å; L360-W370 HydrophobicContact CG-CZ3 3.69Å; L360-A373 HydrophobicContact CD1-CB 3.71Å; L360-A373 HydrophobicContact CD2-CB 4.26Å; L360-L374 VanDerWaalsContact CD2-CA 3.47Å; L360-L374 HydrophobicContact CD2-CB 3.86Å; L360-L374 HydrophobicContact CD2-CD1 4.15Å; L360-T377 HydrophobicContact CD2-CG2 4.11Å
361	C	89.3	Confident	88.5	Confident	17 Å²	17	66.5 Å²	66.5	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-17.8	-179.1	-68.9	0	0	0	0	114.4	L357 R358 L572	L357-C361 PolarHBondContact O-N 2.98Å; L357-C361 PolarHBondContact O-SG 3.5Å; L357-C361 VanDerWaalsContact O-SG 3.39Å; R358-C361 PolarHBondContact O-N 3.29Å; C361-L572 HydrophobicContact CB-CD2 3.87Å
362	T	85.2	Confident	88.2	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.202	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.4	179.8	64.1	0	0	0	0	115.3	V96 R98 R358 F359 L360	V96-T362 HydrophobicContact CB-CG2 3.73Å; V96-T362 HydrophobicContact CG2-CG2 3.38Å; R98-T362 PolarHBondContact NH2-O 2.7Å; R358-T362 VanDerWaalsContact O-CG2 3.26Å; R358-T362 WeakPolarHBondContact O-CG2 3.15Å; R358-T362 PolarHBondContact O-N 3.15Å; R358-T362 PolarHBondContact O-OG1 2.92Å; F359-T362 PolarHBondContact O-OG1 3.42Å; L360-T362 PolarHBondContact O-N 3.39Å; L360-T362 VanDerWaalsContact O-N 3.09Å
363	Q	81.6	Confident	88	Confident	94 Å²	94	61.9 Å²	61.9	44%	0.439	35%	0.348	S	S	.	.	S	Bend	trans	-93	157	178.5	-72.3	170.4	80.7	0	0	111	F359 L360 P365	F359-Q363 VanDerWaalsContact CE1-NE2 3.29Å; F359-Q363 PolarHBondContact O-NE2 3.39Å; L360-Q363 PolarHBondContact O-N 3.16Å; Q363-P365 WeakPolarHBondContact O-CD 3.29Å
364	M	71.1	Confident	87.8	Confident	168 Å²	168	62.2 Å²	62.2	83%	0.828	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-63.5	126.4	165.4	-70.4	-59.1	-58.5	0	0	108.4	D366	M364-D366 PolarHBondContact O-N 2.8Å; M364-D366 VanDerWaalsContact O-N 3.15Å
365	P	71.3	Confident	87.7	Confident	58 Å²	58	67.1 Å²	67.1	38%	0.377	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-61.5	119.9	178.6	-24	34.3	0	0	0	110.9	Q363 P367 W370	Q363-P365 WeakPolarHBondContact O-CD 3.29Å; P365-P367 WeakPolarHBondContact O-CD 3.5Å; P365-W370 HydrophobicContact CB-CE3 4.11Å; P365-W370 HydrophobicContact CB-CZ3 4.41Å; P365-W370 HydrophobicContact CG-CZ3 4.44Å
366	D	77.3	Confident	87.7	Confident	76 Å²	76	67 Å²	67	41%	0.406	38%	0.381	S	S	.	.			trans	-86.4	107.9	160.6	175.1	0.7	0	0	0	107.8	M364 A368 N369 W370	M364-D366 PolarHBondContact O-N 2.8Å; M364-D366 VanDerWaalsContact O-N 3.15Å; D366-A368 PolarHBondContact O-N 2.97Å; D366-A368 VanDerWaalsContact O-N 3.14Å; D366-A368 WeakPolarHBondContact OD1-CB 3.45Å; D366-A368 PolarHBondContact OD1-N 3.09Å; D366-N369 HydrophobicContact CB-CB 4.47Å; D366-N369 PolarHBondContact O-N 3.35Å; D366-N369 VanDerWaalsContact O-N 3.16Å; D366-N369 PolarHBondContact OD2-ND2 2.89Å; D366-W370 WeakPolarHBondContact O-CB 3.32Å; D366-W370 PolarHBondContact O-N 2.81Å
367	P	76.8	Confident	87.7	Confident	101 Å²	101	64.9 Å²	64.9	66%	0.656	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	-174.9	-22.1	34.8	0	0	0	113.6	P365	P365-P367 WeakPolarHBondContact O-CD 3.5Å
368	A	83.1	Confident	87.8	Confident	85 Å²	85	69 Å²	69	70%	0.702	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-33.7	179.2	0	0	0	0	0	112.4	D366	D366-A368 PolarHBondContact O-N 2.97Å; D366-A368 VanDerWaalsContact O-N 3.14Å; D366-A368 WeakPolarHBondContact OD1-CB 3.45Å; D366-A368 PolarHBondContact OD1-N 3.09Å
369	N	87.9	Confident	88.1	Confident	92 Å²	92	67.6 Å²	67.6	49%	0.492	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-10.3	-175	-71.5	-62.8	0	0	0	114.1	D366 L371 S372 A373	D366-N369 HydrophobicContact CB-CB 4.47Å; D366-N369 PolarHBondContact O-N 3.35Å; D366-N369 VanDerWaalsContact O-N 3.16Å; D366-N369 PolarHBondContact OD2-ND2 2.89Å; N369-L371 VanDerWaalsContact C-N 3.34Å; N369-L371 PolarHBondContact O-N 2.89Å; N369-S372 PolarHBondContact O-N 3.24Å; N369-A373 WeakPolarHBondContact O-CB 3.45Å; N369-A373 PolarHBondContact O-N 3.32Å
370	W	88.1	Confident	88.4	Confident	17 Å²	17	61.8 Å²	61.8	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-50	-46.8	-175.6	177.2	-103.1	0	0	0	114.2	L360 P365 D366 A373 L374 L566 T579	L360-W370 HydrophobicContact CD1-CE3 3.8Å; L360-W370 HydrophobicContact CD1-CZ3 3.64Å; L360-W370 HydrophobicContact CD2-CH2 4.39Å; L360-W370 HydrophobicContact CD2-CZ3 4.26Å; L360-W370 HydrophobicContact CG-CE3 4.21Å; L360-W370 HydrophobicContact CG-CH2 4.07Å; L360-W370 HydrophobicContact CG-CZ3 3.69Å; P365-W370 HydrophobicContact CB-CE3 4.11Å; P365-W370 HydrophobicContact CB-CZ3 4.41Å; P365-W370 HydrophobicContact CG-CZ3 4.44Å; D366-W370 WeakPolarHBondContact O-CB 3.32Å; D366-W370 PolarHBondContact O-N 2.81Å; W370-A373 PolarHBondContact O-N 3.3Å; W370-L374 VanDerWaalsContact O-CB 3.3Å; W370-L374 WeakPolarHBondContact O-CB 3.49Å; W370-L374 PolarHBondContact O-N 3.16Å; W370-L566 HydrophobicContact CH2-CD2 4.32Å; W370-L566 HydrophobicContact CZ2-CD2 3.81Å; W370-T579 HydrophobicContact CZ2-CG2 3.77Å
371	L	90.4	Very high	88.7	Confident	131 Å²	131	63.2 Å²	63.2	69%	0.686	36%	0.36	S	S	*	.	H	α-helix	trans	-67.7	-43	-178.1	-65.1	177.9	0	0	0	112.1	N369 L374 E375	N369-L371 VanDerWaalsContact C-N 3.34Å; N369-L371 PolarHBondContact O-N 2.89Å; L371-L374 PolarHBondContact O-N 2.92Å; L371-E375 WeakPolarHBondContact O-CB 3.42Å; L371-E375 PolarHBondContact O-N 2.89Å
372	S	92.3	Very high	89.2	Confident	74 Å²	74	64.2 Å²	64.2	52%	0.517	36%	0.363	S	S	.	.	H	α-helix	trans	-65.9	-38.8	176.2	-49.1	0	0	0	0	111.8	N369 E375 S376	N369-S372 PolarHBondContact O-N 3.24Å; S372-E375 PolarHBondContact O-N 3.29Å; S372-S376 PolarHBondContact O-N 2.78Å
373	A	92.7	Very high	89.8	Confident	30 Å²	30	62.7 Å²	62.7	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-44.1	175.2	0	0	0	0	0	111.1	L360 N369 W370 E375 S376 T377	L360-A373 HydrophobicContact CD1-CB 3.71Å; L360-A373 HydrophobicContact CD2-CB 4.26Å; N369-A373 WeakPolarHBondContact O-CB 3.45Å; N369-A373 PolarHBondContact O-N 3.32Å; W370-A373 PolarHBondContact O-N 3.3Å; A373-E375 VanDerWaalsContact C-N 3.32Å; A373-E375 PolarHBondContact O-N 3.12Å; A373-S376 WeakPolarHBondContact O-CB 3.18Å; A373-S376 PolarHBondContact O-N 2.93Å; A373-S376 VanDerWaalsContact O-N 3.12Å; A373-S376 PolarHBondContact O-OG 3.12Å; A373-T377 PolarHBondContact O-N 2.7Å
374	L	93.6	Very high	90.6	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-40.5	173.8	-178.2	58.5	0	0	0	111.2	L357 L360 W370 L371 S376 T377 L380 L566	L357-L374 HydrophobicContact CD1-CD1 3.7Å; L360-L374 VanDerWaalsContact CD2-CA 3.47Å; L360-L374 HydrophobicContact CD2-CB 3.86Å; L360-L374 HydrophobicContact CD2-CD1 4.15Å; W370-L374 VanDerWaalsContact O-CB 3.3Å; W370-L374 WeakPolarHBondContact O-CB 3.49Å; W370-L374 PolarHBondContact O-N 3.16Å; L371-L374 PolarHBondContact O-N 2.92Å; L374-S376 VanDerWaalsContact C-N 3.28Å; L374-S376 PolarHBondContact O-N 2.65Å; L374-T377 WeakPolarHBondContact O-CB 3.44Å; L374-T377 PolarHBondContact O-N 2.77Å; L374-T377 PolarHBondContact O-OG1 2.89Å; L374-L380 HydrophobicContact CD2-CD1 3.97Å; L374-L380 HydrophobicContact CG-CD1 4.29Å; L374-L566 HydrophobicContact CD1-CD1 4.31Å
375	E	95	Very high	91.9	Very high	109 Å²	109	52.3 Å²	52.3	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-31.7	174.5	-154.8	-155.4	144.9	0	0	112.8	L371 S372 A373 T377 K378	L371-E375 WeakPolarHBondContact O-CB 3.42Å; L371-E375 PolarHBondContact O-N 2.89Å; S372-E375 PolarHBondContact O-N 3.29Å; A373-E375 VanDerWaalsContact C-N 3.32Å; A373-E375 PolarHBondContact O-N 3.12Å; E375-T377 VanDerWaalsContact C-N 3.28Å; E375-T377 PolarHBondContact O-N 2.79Å; E375-K378 WeakPolarHBondContact O-CD 3.44Å; E375-K378 WeakPolarHBondContact O-CE 3.3Å; E375-K378 PolarHBondContact O-N 2.81Å; E375-K378 PolarHBondContact O-NZ 3.35Å; E375-K378 IonicContact OE1-NZ 3.56Å
376	S	96.2	Very high	93.3	Very high	80 Å²	80	49.6 Å²	49.6	56%	0.559	29%	0.286	S	S	*	.	H	α-helix	trans	-66.6	-28.5	176.5	82.9	0	0	0	0	112.8	S372 A373 L374 K378	S372-S376 PolarHBondContact O-N 2.78Å; A373-S376 WeakPolarHBondContact O-CB 3.18Å; A373-S376 PolarHBondContact O-N 2.93Å; A373-S376 VanDerWaalsContact O-N 3.12Å; A373-S376 PolarHBondContact O-OG 3.12Å; L374-S376 VanDerWaalsContact C-N 3.28Å; L374-S376 PolarHBondContact O-N 2.65Å; S376-K378 PolarHBondContact O-N 3.45Å
377	T	97.4	Very high	94.3	Very high	3 Å²	3	46 Å²	46	2%	0.018	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.8	178.1	74.6	0	0	0	0	113.7	S353 L357 L360 A373 L374 E375 W379	S353-T377 WeakPolarHBondContact CA-O 3.31Å; S353-T377 VanDerWaalsContact CB-O 3.29Å; S353-T377 WeakPolarHBondContact CB-O 3.28Å; S353-T377 PolarHBondContact OG-O 3.26Å; L357-T377 HydrophobicContact CB-CG2 4.25Å; L357-T377 HydrophobicContact CD1-CG2 4.17Å; L360-T377 HydrophobicContact CD2-CG2 4.11Å; A373-T377 PolarHBondContact O-N 2.7Å; L374-T377 WeakPolarHBondContact O-CB 3.44Å; L374-T377 PolarHBondContact O-N 2.77Å; L374-T377 PolarHBondContact O-OG1 2.89Å; E375-T377 VanDerWaalsContact C-N 3.28Å; E375-T377 PolarHBondContact O-N 2.79Å; T377-W379 PolarHBondContact O-N 2.69Å; T377-W379 VanDerWaalsContact O-N 3.11Å; T377-W379 PolarHBondContact OG1-N 3.24Å; T377-W379 VanDerWaalsContact OG1-N 3.17Å
378	K	98.3	Very high	95.3	Very high	86 Å²	86	45.7 Å²	45.7	37%	0.374	26%	0.255	S	S	.	.			trans	58.6	7.4	-170	-51.6	-59	165.9	-152.7	0	116.4	E375 S376 Q381 H382	E375-K378 WeakPolarHBondContact O-CD 3.44Å; E375-K378 WeakPolarHBondContact O-CE 3.3Å; E375-K378 PolarHBondContact O-N 2.81Å; E375-K378 PolarHBondContact O-NZ 3.35Å; E375-K378 IonicContact OE1-NZ 3.56Å; S376-K378 PolarHBondContact O-N 3.45Å; K378-Q381 VanDerWaalsContact CA-OE1 3.31Å; K378-Q381 HydrophobicContact CB-CB 4.45Å; K378-Q381 HydrophobicContact CD-CG 4.27Å; K378-Q381 WeakPolarHBondContact O-CB 3.4Å; K378-Q381 PolarHBondContact O-N 2.83Å; K378-H382 PolarHBondContact O-CD2 2.87Å; K378-H382 PolarHBondContact O-N 3.01Å
379	W	98.5	Very high	96.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-55.6	-177.5	-174.3	-106.7	0	0	0	112.3	I350 S353 F354 L357 T377 Q381 H382 L383 P469 Q473 D476 Y571	I350-W379 HydrophobicContact CG2-CZ3 4.06Å; S353-W379 WeakPolarHBondContact OG-CA 3.22Å; S353-W379 PolarHBondContact OG-N 2.77Å; F354-W379 HydrophobicContact CB-CE3 4.29Å; F354-W379 HydrophobicContact CB-CZ3 3.9Å; F354-W379 HydrophobicContact CD2-CE3 4.14Å; F354-W379 AromaticContact CD2-CH2 3.76Å; F354-W379 HydrophobicContact CD2-CH2 3.76Å; F354-W379 HydrophobicContact CD2-CZ2 4.24Å; F354-W379 AromaticContact CD2-CZ3 3.71Å; F354-W379 HydrophobicContact CD2-CZ3 3.71Å; F354-W379 HydrophobicContact CE2-CH2 4.35Å; F354-W379 HydrophobicContact CG-CZ3 4.23Å; L357-W379 HydrophobicContact CD2-CB 4.18Å; L357-W379 HydrophobicContact CD2-CD2 4.05Å; L357-W379 HydrophobicContact CD2-CG 3.74Å; T377-W379 PolarHBondContact O-N 2.69Å; T377-W379 VanDerWaalsContact O-N 3.11Å; T377-W379 PolarHBondContact OG1-N 3.24Å; T377-W379 VanDerWaalsContact OG1-N 3.17Å; W379-Q381 PolarHBondContact O-N 3.38Å; W379-H382 PolarHBondContact O-N 3.41Å; W379-L383 HydrophobicContact CZ2-CD2 4.43Å; W379-L383 PolarHBondContact O-N 3.09Å; W379-P469 HydrophobicContact CH2-CG 4.34Å; W379-P469 HydrophobicContact CZ3-CG 4.43Å; W379-Q473 HydrophobicContact CH2-CB 3.71Å; W379-Q473 HydrophobicContact CH2-CG 3.94Å; W379-Q473 HydrophobicContact CZ2-CB 4.1Å; W379-Q473 HydrophobicContact CZ2-CG 4.19Å; W379-Q473 HydrophobicContact CZ3-CG 4.48Å; W379-D476 PolarHBondContact NE1-OD2 3.24Å; W379-Y571 WeakPolarHBondContact CZ2-OH 3.18Å; W379-Y571 AromaticContact NE1-CE2 3.86Å
380	L	98.4	Very high	96.6	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-26	179.4	-59	-176.1	0	0	0	112.8	L374 L383 S384 V561 L564	L374-L380 HydrophobicContact CD2-CD1 3.97Å; L374-L380 HydrophobicContact CG-CD1 4.29Å; L380-L383 HydrophobicContact CD2-CD1 3.74Å; L380-S384 WeakPolarHBondContact O-CB 3.43Å; L380-S384 PolarHBondContact O-N 3.42Å; L380-V561 HydrophobicContact CB-CG1 3.92Å; L380-L564 HydrophobicContact CD2-CB 4.3Å
381	Q	98.6	Very high	97.1	Very high	46 Å²	46	38 Å²	38	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-40.8	171.9	-72.4	74.3	-0.8	0	0	111.2	K378 W379 S384 L385 V561	K378-Q381 VanDerWaalsContact CA-OE1 3.31Å; K378-Q381 HydrophobicContact CB-CB 4.45Å; K378-Q381 HydrophobicContact CD-CG 4.27Å; K378-Q381 WeakPolarHBondContact O-CB 3.4Å; K378-Q381 PolarHBondContact O-N 2.83Å; W379-Q381 PolarHBondContact O-N 3.38Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 2.84Å; Q381-L385 PolarHBondContact O-N 3.16Å; Q381-V561 HydrophobicContact CG-CG2 4.13Å
382	H	98.7	Very high	97.5	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.181	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-41.2	175.2	-60.8	-48.4	0	0	0	112	I350 S353 K378 W379 L385 L386	I350-H382 HydrophobicContact CD1-CB 3.91Å; S353-H382 PolarHBondContact OG-CD2 3.26Å; K378-H382 PolarHBondContact O-CD2 2.87Å; K378-H382 PolarHBondContact O-N 3.01Å; W379-H382 PolarHBondContact O-N 3.41Å; H382-L385 PolarHBondContact O-N 3.04Å; H382-L386 WeakPolarHBondContact O-CB 3.28Å; H382-L386 PolarHBondContact O-N 3.44Å
383	L	98.8	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-45.6	170.9	-55.2	-179.9	0	0	0	111.4	W379 L380 L385 L386 L387 Q473 D476 C477 Q480 L564	W379-L383 HydrophobicContact CZ2-CD2 4.43Å; W379-L383 PolarHBondContact O-N 3.09Å; L380-L383 HydrophobicContact CD2-CD1 3.74Å; L383-L385 VanDerWaalsContact C-N 3.29Å; L383-L385 PolarHBondContact O-N 3.12Å; L383-L386 PolarHBondContact O-N 3.09Å; L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 WeakPolarHBondContact O-CG 3.07Å; L383-L387 PolarHBondContact O-N 3.43Å; L383-Q473 HydrophobicContact CD2-CG 3.8Å; L383-Q473 WeakPolarHBondContact CD2-O 3.33Å; L383-D476 HydrophobicContact CD1-CB 4.36Å; L383-D476 VanDerWaalsContact CD1-OD2 3.26Å; L383-D476 WeakPolarHBondContact CD1-OD2 3.43Å; L383-D476 HydrophobicContact CD2-CB 4.06Å; L383-C477 VanDerWaalsContact CD2-SG 3.59Å; L383-Q480 HydrophobicContact CD1-CG 4.46Å; L383-L564 HydrophobicContact CB-CD1 3.9Å
384	S	98.8	Very high	98.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-40.1	176.8	174.4	0	0	0	0	112.3	L380 Q381 K388 C559	L380-S384 WeakPolarHBondContact O-CB 3.43Å; L380-S384 PolarHBondContact O-N 3.42Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 2.84Å; S384-K388 VanDerWaalsContact O-CD 3.29Å; S384-K388 WeakPolarHBondContact O-CD 3.23Å; S384-K388 WeakPolarHBondContact O-CG 3.45Å; S384-K388 PolarHBondContact O-N 3.21Å; S384-K388 WeakPolarHBondContact OG-CE 3.34Å; S384-K388 PolarHBondContact OG-NZ 2.62Å; S384-C559 WeakPolarHBondContact CB-O 3.43Å; S384-C559 PolarHBondContact OG-O 2.96Å
385	L	98.7	Very high	98.3	Very high	43 Å²	43	30.7 Å²	30.7	23%	0.225	16%	0.155	C	C	.	.	H	α-helix	trans	-73.6	-41	178.4	-172.2	60.1	0	0	0	112.4	M342 M344 Q381 H382 L383 K388 A389	M342-L385 HydrophobicContact CE-CD1 4.3Å; M344-L385 HydrophobicContact CB-CD2 4.38Å; M344-L385 HydrophobicContact CG-CD2 3.79Å; M344-L385 HydrophobicContact CG-CG 3.89Å; Q381-L385 PolarHBondContact O-N 3.16Å; H382-L385 PolarHBondContact O-N 3.04Å; L383-L385 VanDerWaalsContact C-N 3.29Å; L383-L385 PolarHBondContact O-N 3.12Å; L385-K388 WeakPolarHBondContact O-CB 3.33Å; L385-K388 PolarHBondContact O-N 2.95Å; L385-A389 PolarHBondContact O-N 3.07Å
386	L	98.7	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-43.5	176.5	171.9	54.2	0	0	0	111.8	M344 H382 L383 K388 A389 A390 Q417 I418 L421	M344-L386 HydrophobicContact CE-CB 4.13Å; M344-L386 HydrophobicContact CE-CD1 3.72Å; M344-L386 HydrophobicContact CE-CG 4.43Å; H382-L386 WeakPolarHBondContact O-CB 3.28Å; H382-L386 PolarHBondContact O-N 3.44Å; L383-L386 PolarHBondContact O-N 3.09Å; L386-K388 VanDerWaalsContact C-N 3.33Å; L386-K388 PolarHBondContact O-N 3.32Å; L386-A389 PolarHBondContact O-N 3.21Å; L386-A390 PolarHBondContact O-N 3.16Å; L386-Q417 HydrophobicContact CD1-CB 3.56Å; L386-Q417 HydrophobicContact CD2-CB 3.92Å; L386-Q417 HydrophobicContact CD2-CG 4.27Å; L386-Q417 HydrophobicContact CG-CB 4.41Å; L386-I418 HydrophobicContact CD1-CG1 3.98Å; L386-L421 HydrophobicContact CD1-CD1 3.87Å; L386-L421 HydrophobicContact CD2-CD1 4.12Å; L386-L421 HydrophobicContact CG-CD1 3.6Å
387	L	98.9	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-37.2	173.5	-72.3	168.1	0	0	0	112.2	L383 L391 L421 C477 Q480 L481 C559 L564	L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 WeakPolarHBondContact O-CG 3.07Å; L383-L387 PolarHBondContact O-N 3.43Å; L387-L391 VanDerWaalsContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 PolarHBondContact O-N 2.67Å; L387-L421 HydrophobicContact CD2-CD1 4.3Å; L387-C477 HydrophobicContact CD2-CB 4.1Å; L387-C477 HydrophobicContact CG-CB 4.35Å; L387-Q480 HydrophobicContact CD1-CB 4.4Å; L387-L481 HydrophobicContact CD2-CD2 3.91Å; L387-L481 HydrophobicContact CD2-CG 4.19Å; L387-C559 HydrophobicContact CB-CB 3.93Å; L387-L564 HydrophobicContact CD1-CD1 4.29Å; L387-L564 HydrophobicContact CD1-CD2 3.78Å
388	K	98.8	Very high	98.5	Very high	96 Å²	96	23.5 Å²	23.5	42%	0.417	11%	0.114	S	C	.	.	H	α-helix	trans	-65.7	-41.7	173.5	-74	161.6	-173.2	156.6	0	112.4	S384 L385 L386 L391 L392 C559	S384-K388 VanDerWaalsContact O-CD 3.29Å; S384-K388 WeakPolarHBondContact O-CD 3.23Å; S384-K388 WeakPolarHBondContact O-CG 3.45Å; S384-K388 PolarHBondContact O-N 3.21Å; S384-K388 WeakPolarHBondContact OG-CE 3.34Å; S384-K388 PolarHBondContact OG-NZ 2.62Å; L385-K388 WeakPolarHBondContact O-CB 3.33Å; L385-K388 PolarHBondContact O-N 2.95Å; L386-K388 VanDerWaalsContact C-N 3.33Å; L386-K388 PolarHBondContact O-N 3.32Å; K388-L391 PolarHBondContact O-N 2.98Å; K388-L392 WeakPolarHBondContact O-CB 3.23Å; K388-L392 PolarHBondContact O-N 3.24Å; K388-C559 HydrophobicContact CG-CB 3.66Å
389	A	98.8	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-46.8	177.2	0	0	0	0	0	111.1	M342 M344 L385 L386 L392 V393 I418	M342-A389 HydrophobicContact CE-CB 3.95Å; M342-A389 HydrophobicContact CG-CB 3.97Å; M342-A389 HydrophobicContact SD-CB 4.36Å; M344-A389 HydrophobicContact SD-CB 3.93Å; L385-A389 PolarHBondContact O-N 3.07Å; L386-A389 PolarHBondContact O-N 3.21Å; A389-L392 PolarHBondContact O-N 2.95Å; A389-V393 PolarHBondContact O-N 3.17Å; A389-I418 HydrophobicContact CB-CD1 4.15Å; A389-I418 HydrophobicContact CB-CG1 3.92Å; A389-I418 HydrophobicContact CB-CG2 4.47Å
390	A	98.9	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-47.3	174.5	0	0	0	0	0	112.1	L386 L392 V393 V394 L421 L425	L386-A390 PolarHBondContact O-N 3.16Å; A390-L392 PolarHBondContact O-N 2.88Å; A390-V393 WeakPolarHBondContact O-CB 3.18Å; A390-V393 PolarHBondContact O-N 3.3Å; A390-V393 VanDerWaalsContact O-N 3.1Å; A390-V394 VanDerWaalsContact O-CG2 3.25Å; A390-V394 WeakPolarHBondContact O-CG2 3.45Å; A390-V394 PolarHBondContact O-N 2.98Å; A390-L421 HydrophobicContact CB-CB 3.47Å; A390-L421 VanDerWaalsContact CB-CB 3.47Å; A390-L421 HydrophobicContact CB-CD1 4.23Å; A390-L425 HydrophobicContact CB-CD1 4.16Å
391	L	98.7	Very high	97.9	Very high	33 Å²	33	34.5 Å²	34.5	17%	0.173	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-30.4	177.6	-178.7	57.4	0	0	0	112.5	L387 K388 V394 N395	L387-L391 VanDerWaalsContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 PolarHBondContact O-N 2.67Å; K388-L391 PolarHBondContact O-N 2.98Å; L391-V394 HydrophobicContact CD1-CB 4.42Å; L391-V394 HydrophobicContact CD1-CG1 4.5Å; L391-V394 PolarHBondContact O-N 3.21Å; L391-N395 WeakPolarHBondContact CD1-ND2 3.31Å; L391-N395 PolarHBondContact O-N 3.26Å; L391-N395 PolarHBondContact O-ND2 2.75Å
392	L	98.8	Very high	97.7	Very high	60 Å²	60	34 Å²	34	31%	0.314	16%	0.158	S	C	.	.	H	α-helix	trans	-67.4	-41	174.1	-173.4	136.6	0	0	0	112	L308 L310 M342 K388 A389 A390 A396	L308-L392 HydrophobicContact CD2-CD2 3.84Å; L310-L392 HydrophobicContact CD1-CD2 3.76Å; L310-L392 HydrophobicContact CG-CD2 4.41Å; M342-L392 HydrophobicContact SD-CD1 4.38Å; K388-L392 WeakPolarHBondContact O-CB 3.23Å; K388-L392 PolarHBondContact O-N 3.24Å; A389-L392 PolarHBondContact O-N 2.95Å; A390-L392 PolarHBondContact O-N 2.88Å; L392-A396 PolarHBondContact O-N 2.85Å; L392-A396 VanDerWaalsContact O-N 3.15Å
393	V	98.9	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-44.3	170.7	-178.3	0	0	0	0	111.2	I232 L310 A389 A390 N395 A396 V397 V404 V406 I418 S422	I232-V393 HydrophobicContact CD1-CG1 3.65Å; I232-V393 HydrophobicContact CG1-CG1 3.88Å; I232-V393 HydrophobicContact CG2-CG1 4.43Å; L310-V393 HydrophobicContact CD1-CG2 3.43Å; L310-V393 VanDerWaalsContact CD1-CG2 3.43Å; A389-V393 PolarHBondContact O-N 3.17Å; A390-V393 WeakPolarHBondContact O-CB 3.18Å; A390-V393 PolarHBondContact O-N 3.3Å; A390-V393 VanDerWaalsContact O-N 3.1Å; V393-N395 PolarHBondContact O-N 2.97Å; V393-A396 PolarHBondContact O-N 3.44Å; V393-V397 HydrophobicContact CG1-CG2 4.18Å; V393-V397 WeakPolarHBondContact O-CG2 3.26Å; V393-V397 PolarHBondContact O-N 3.2Å; V393-V404 HydrophobicContact CG1-CB 4.3Å; V393-V404 HydrophobicContact CG1-CG1 4.21Å; V393-V404 HydrophobicContact CG1-CG2 4.24Å; V393-V404 HydrophobicContact CG2-CG1 4.22Å; V393-V406 HydrophobicContact CG2-CG2 4.1Å; V393-I418 HydrophobicContact CG2-CG2 3.83Å; V393-S422 WeakPolarHBondContact CB-OG 3.37Å
394	V	98.7	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-49	178.7	173.4	0	0	0	0	111.2	A390 L391 A396 V397 D398 L425 L426 V554	A390-V394 VanDerWaalsContact O-CG2 3.25Å; A390-V394 WeakPolarHBondContact O-CG2 3.45Å; A390-V394 PolarHBondContact O-N 2.98Å; L391-V394 HydrophobicContact CD1-CB 4.42Å; L391-V394 HydrophobicContact CD1-CG1 4.5Å; L391-V394 PolarHBondContact O-N 3.21Å; V394-A396 VanDerWaalsContact C-N 3.35Å; V394-A396 PolarHBondContact O-N 3.07Å; V394-V397 PolarHBondContact O-N 3.25Å; V394-D398 WeakPolarHBondContact O-CB 3.47Å; V394-D398 PolarHBondContact O-N 2.92Å; V394-L425 HydrophobicContact CG2-CB 3.5Å; V394-L425 HydrophobicContact CG2-CD1 3.85Å; V394-L425 HydrophobicContact CG2-CG 4.33Å; V394-L426 HydrophobicContact CB-CD2 4.49Å; V394-L426 HydrophobicContact CB-CG 4.49Å; V394-L426 HydrophobicContact CG1-CD2 4.01Å; V394-L426 HydrophobicContact CG1-CG 4.32Å; V394-L426 HydrophobicContact CG2-CG 4.15Å; V394-V554 HydrophobicContact CG1-CG1 3.65Å
395	N	98.4	Very high	97.6	Very high	35 Å²	35	32.1 Å²	32.1	19%	0.187	15%	0.15	C	C	.	.	I	π-helix	trans	-60.6	-44.1	177.5	-76.6	-74.9	0	0	0	111.6	L391 V393 V397 R399 D400	L391-N395 WeakPolarHBondContact CD1-ND2 3.31Å; L391-N395 PolarHBondContact O-N 3.26Å; L391-N395 PolarHBondContact O-ND2 2.75Å; V393-N395 PolarHBondContact O-N 2.97Å; N395-V397 PolarHBondContact O-N 3.38Å; N395-R399 WeakPolarHBondContact O-CA 3.46Å; N395-R399 WeakPolarHBondContact O-CB 3.43Å; N395-R399 PolarHBondContact O-N 2.68Å; N395-R399 VanDerWaalsContact OD1-CD 3.29Å; N395-R399 WeakPolarHBondContact OD1-CD 3.44Å; N395-R399 PolarHBondContact OD1-NH1 2.91Å; N395-D400 PolarHBondContact O-N 2.88Å
396	A	98	Very high	97.6	Very high	2 Å²	2	30 Å²	30	2%	0.017	14%	0.139	C	C	.	.	I	π-helix	trans	-60.4	-47.3	178.7	0	0	0	0	0	112.1	L308 L392 V393 V394 D400 H401 R402 V404	L308-A396 HydrophobicContact CD2-CB 3.76Å; L392-A396 PolarHBondContact O-N 2.85Å; L392-A396 VanDerWaalsContact O-N 3.15Å; V393-A396 PolarHBondContact O-N 3.44Å; V394-A396 VanDerWaalsContact C-N 3.35Å; V394-A396 PolarHBondContact O-N 3.07Å; A396-D400 CarbonylContact O-C 3.53Å; A396-D400 PolarHBondContact O-N 2.76Å; A396-H401 PolarHBondContact O-N 3.19Å; A396-H401 VanDerWaalsContact O-N 3.08Å; A396-R402 HydrophobicContact CB-CB 4.26Å; A396-R402 VanDerWaalsContact O-CB 3.29Å; A396-R402 WeakPolarHBondContact O-CB 3.29Å; A396-R402 PolarHBondContact O-N 3.39Å; A396-V404 HydrophobicContact CB-CG2 3.72Å
397	V	97.3	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-73.9	-46	-175.1	171.9	0	0	0	0	112.9	Y223 H225 T228 A230 I232 V393 V394 N395 V404 L426	Y223-V397 HydrophobicContact CE1-CG1 4.36Å; H225-V397 HydrophobicContact CB-CG1 3.59Å; T228-V397 PolarHBondContact OG1-O 3.27Å; A230-V397 HydrophobicContact CB-CB 4.36Å; A230-V397 HydrophobicContact CB-CG1 3.92Å; A230-V397 VanDerWaalsContact CB-O 3.3Å; A230-V397 WeakPolarHBondContact CB-O 3.28Å; I232-V397 HydrophobicContact CD1-CG2 4.31Å; I232-V397 HydrophobicContact CG1-CG2 3.76Å; V393-V397 HydrophobicContact CG1-CG2 4.18Å; V393-V397 WeakPolarHBondContact O-CG2 3.26Å; V393-V397 PolarHBondContact O-N 3.2Å; V394-V397 PolarHBondContact O-N 3.25Å; N395-V397 PolarHBondContact O-N 3.38Å; V397-V404 HydrophobicContact CG2-CG2 3.78Å; V397-L426 HydrophobicContact CB-CD1 4.1Å; V397-L426 HydrophobicContact CB-CD2 4.41Å; V397-L426 HydrophobicContact CG1-CD1 3.87Å; V397-L426 HydrophobicContact CG1-CD2 4.18Å
398	D	96.2	Very high	97.5	Very high	38 Å²	38	30.1 Å²	30.1	20%	0.203	14%	0.139	C	C	.	.	I	π-helix	trans	-80.6	-53.1	-177.9	175	62.4	0	0	0	112	H225 T228 V394 H401 L426	H225-D398 IonicContact CE1-OD1 3.34Å; H225-D398 PolarHBondContact CE1-OD1 3.49Å; H225-D398 VanDerWaalsContact CE1-OD1 3.24Å; H225-D398 IonicContact NE2-OD1 2.71Å; T228-D398 WeakPolarHBondContact CG2-O 3.45Å; V394-D398 WeakPolarHBondContact O-CB 3.47Å; V394-D398 PolarHBondContact O-N 2.92Å; D398-H401 PolarHBondContact O-CE1 2.85Å; D398-H401 PolarHBondContact O-ND1 3.03Å; D398-L426 HydrophobicContact CB-CD2 3.91Å
399	R	94.9	Very high	97.5	Very high	152 Å²	152	26 Å²	26	57%	0.574	12%	0.122	S	C	*	.	I	π-helix	trans	-93.4	-39.5	-167	-59.9	174.7	56.5	-145.2	-8.7	113.7	N395	N395-R399 WeakPolarHBondContact O-CA 3.46Å; N395-R399 WeakPolarHBondContact O-CB 3.43Å; N395-R399 PolarHBondContact O-N 2.68Å; N395-R399 VanDerWaalsContact OD1-CD 3.29Å; N395-R399 WeakPolarHBondContact OD1-CD 3.44Å; N395-R399 PolarHBondContact OD1-NH1 2.91Å
400	D	94.8	Very high	97.4	Very high	88 Å²	88	28 Å²	28	47%	0.471	13%	0.133	S	C	.	.	S	Bend	trans	-91.8	-2.9	179.9	-50.4	-35.5	0	0	0	112.5	N395 A396 R402	N395-D400 PolarHBondContact O-N 2.88Å; A396-D400 CarbonylContact O-C 3.53Å; A396-D400 PolarHBondContact O-N 2.76Å; D400-R402 HydrophobicContact CB-CB 4.06Å; D400-R402 PolarHBondContact O-N 3.28Å
401	H	93.5	Very high	97.3	Very high	91 Å²	91	28 Å²	28	42%	0.421	13%	0.133	S	C	.	.			trans	52.4	35.8	-179.2	-50.2	-17.7	0	0	0	113.1	T228 H305 A396 D398	T228-H401 VanDerWaalsContact CG2-ND1 3.29Å; T228-H401 WeakPolarHBondContact CG2-ND1 3.45Å; H305-H401 PolarHBondContact CD2-O 3Å; A396-H401 PolarHBondContact O-N 3.19Å; A396-H401 VanDerWaalsContact O-N 3.08Å; D398-H401 PolarHBondContact O-CE1 2.85Å; D398-H401 PolarHBondContact O-ND1 3.03Å
402	R	94.2	Very high	97.3	Very high	35 Å²	35	27 Å²	27	13%	0.132	13%	0.127	C	C	.	.			trans	-107.6	131.1	-162.5	-168.7	-178.4	-178.8	169	2.2	111.5	K306 L307 E338 A396 D400	K306-R402 WeakPolarHBondContact O-CD 3.26Å; K306-R402 WeakPolarHBondContact O-CG 3.44Å; K306-R402 PolarHBondContact O-NE 3.46Å; L307-R402 PolarHBondContact O-NH2 3Å; E338-R402 IonicContact OE2-CZ 3.23Å; E338-R402 IonicContact OE2-NH1 3.67Å; E338-R402 PolarHBondContact OE2-NH1 3.03Å; E338-R402 IonicContact OE2-NH2 2.81Å; E338-R402 PolarHBondContact OE2-NH2 3.31Å; A396-R402 HydrophobicContact CB-CB 4.26Å; A396-R402 VanDerWaalsContact O-CB 3.29Å; A396-R402 WeakPolarHBondContact O-CB 3.29Å; A396-R402 PolarHBondContact O-N 3.39Å; D400-R402 HydrophobicContact CB-CB 4.06Å; D400-R402 PolarHBondContact O-N 3.28Å
403	P	97	Very high	97.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.115	C	C	.	.			trans	-71.3	142.8	173.6	28.9	-32	0	0	0	111	V231 A258 C261 L307 L308	V231-P403 HydrophobicContact CG2-CB 3.83Å; V231-P403 WeakPolarHBondContact O-CA 3.48Å; A258-P403 HydrophobicContact CB-CG 4.04Å; C261-P403 HydrophobicContact CB-CB 4.3Å; C261-P403 HydrophobicContact CB-CG 4.48Å; L307-P403 WeakPolarHBondContact CA-O 3.41Å; L307-P403 HydrophobicContact CB-CG 4.39Å; L307-P403 HydrophobicContact CD1-CB 4.45Å; L307-P403 HydrophobicContact CG-CG 4.48Å; L308-P403 PolarHBondContact N-O 2.92Å
404	V	98.7	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.1	-175.4	-170	0	0	0	0	111.2	V231 I232 A233 L308 V393 A396 V397 V406	V231-V404 PolarHBondContact O-N 3Å; I232-V404 CarbonylContact C-O 3.54Å; I232-V404 WeakPolarHBondContact CA-O 3.38Å; A233-V404 PolarHBondContact N-O 2.93Å; L308-V404 HydrophobicContact CB-CG1 4.28Å; L308-V404 HydrophobicContact CB-CG2 4.25Å; L308-V404 HydrophobicContact CD2-CG1 4.26Å; L308-V404 HydrophobicContact CD2-CG2 4.27Å; L308-V404 HydrophobicContact CG-CG1 4.24Å; L308-V404 CarbonylContact O-C 3.45Å; L308-V404 VanDerWaalsContact O-CA 3.3Å; L308-V404 WeakPolarHBondContact O-CA 3.42Å; L308-V404 WeakPolarHBondContact O-CG1 3.46Å; V393-V404 HydrophobicContact CG1-CB 4.3Å; V393-V404 HydrophobicContact CG1-CG1 4.21Å; V393-V404 HydrophobicContact CG1-CG2 4.24Å; V393-V404 HydrophobicContact CG2-CG1 4.22Å; A396-V404 HydrophobicContact CB-CG2 3.72Å; V397-V404 HydrophobicContact CG2-CG2 3.78Å; V404-V406 HydrophobicContact CG1-CG2 3.99Å
405	L	98.8	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.6	168.9	-179.7	64.3	0	0	0	109	P219 A233 C235 V254 L307 L308 I309 L310	P219-L405 HydrophobicContact CB-CD1 3.93Å; P219-L405 HydrophobicContact CG-CD1 4.35Å; P219-L405 HydrophobicContact CG-CD2 4.3Å; A233-L405 HydrophobicContact CB-CD1 3.6Å; A233-L405 WeakPolarHBondContact O-CA 3.25Å; C235-L405 HydrophobicContact CB-CD1 4.38Å; V254-L405 HydrophobicContact CG1-CD2 4.39Å; V254-L405 HydrophobicContact CG2-CD2 4.06Å; L307-L405 HydrophobicContact CD2-CB 3.8Å; L308-L405 PolarHBondContact O-N 2.97Å; I309-L405 WeakPolarHBondContact CA-O 3.42Å; L310-L405 PolarHBondContact N-O 2.85Å
406	V	98.9	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	-178	-174.8	0	0	0	0	110.6	I232 A233 R234 C235 L310 V393 V404 T415 I418 V419	I232-V406 HydrophobicContact CG2-CG2 4.07Å; A233-V406 PolarHBondContact O-N 3.38Å; R234-V406 WeakPolarHBondContact CA-O 3.47Å; C235-V406 PolarHBondContact N-O 3Å; L310-V406 HydrophobicContact CD2-CG1 4.45Å; V393-V406 HydrophobicContact CG2-CG2 4.1Å; V404-V406 HydrophobicContact CG1-CG2 3.99Å; V406-T415 HydrophobicContact CB-CG2 4.45Å; V406-T415 HydrophobicContact CG1-CG2 4.17Å; V406-T415 WeakPolarHBondContact O-CG2 3.4Å; V406-I418 HydrophobicContact CG1-CB 3.99Å; V406-I418 HydrophobicContact CG1-CD1 4.03Å; V406-I418 HydrophobicContact CG1-CG2 3.85Å; V406-I418 HydrophobicContact CG2-CG2 4.4Å; V406-V419 HydrophobicContact CB-CG2 3.87Å; V406-V419 HydrophobicContact CG1-CG2 4.1Å; V406-V419 HydrophobicContact CG2-CG2 4.08Å
407	H	98.8	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-179	174.8	73.3	99.7	0	0	0	113.2	C235 I309 L310 D311 A312 E329 T415	C235-H407 VanDerWaalsContact O-CB 3.28Å; C235-H407 WeakPolarHBondContact O-CB 3.18Å; I309-H407 WeakPolarHBondContact CG2-NE2 3.39Å; L310-H407 PolarHBondContact O-N 3.35Å; D311-H407 VanDerWaalsContact CG-CE1 3.44Å; D311-H407 IonicContact OD2-CE1 3.35Å; D311-H407 PolarHBondContact OD2-CE1 3.21Å; A312-H407 PolarHBondContact N-O 3.44Å; E329-H407 IonicContact OE2-CE1 3.89Å; E329-H407 IonicContact OE2-NE2 3.82Å; E329-H407 PolarHBondContact OE2-NE2 3.16Å; H407-T415 WeakPolarHBondContact CA-OG1 3.24Å
408	C	97.3	Very high	97.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	11%	0.112	C	C	.	.			trans	-146.7	-130.9	167.1	57.1	0	0	0	0	107.1	Q237 A312 R313 G411 R414 T415	Q237-C408 WeakPolarHBondContact CB-O 3.47Å; A312-C408 HydrophobicContact CB-CB 3.9Å; R313-C408 HydrophobicContact CG-CB 4.34Å; C408-G411 PolarHBondContact SG-N 3Å; C408-G411 VanDerWaalsContact SG-N 3.42Å; C408-R414 HydrophobicContact CB-CB 4.21Å; C408-T415 PolarHBondContact N-OG1 3.2Å; C408-T415 PolarHBondContact SG-OG1 3.15Å; C408-T415 VanDerWaalsContact SG-OG1 3.42Å
409	S	97.3	Very high	97.5	Very high	8 Å²	8	22.9 Å²	22.9	6%	0.056	10%	0.103	C	C	.	.	S	Bend	trans	-73.9	-80.4	163.4	-64.5	0	0	0	0	109.9	G236 Q237 R313 N321	G236-S409 CarbonylContact C-O 3.57Å; G236-S409 WeakPolarHBondContact CA-O 3.39Å; Q237-S409 WeakPolarHBondContact CG-O 3.38Å; Q237-S409 PolarHBondContact N-O 2.82Å; R313-S409 WeakPolarHBondContact CD-OG 3.48Å; R313-S409 PolarHBondContact NH1-OG 3.35Å; R313-S409 VanDerWaalsContact NH1-OG 3.12Å; N321-S409 PolarHBondContact OD1-OG 2.9Å
410	D	97.1	Very high	97.7	Very high	43 Å²	43	15.6 Å²	15.6	23%	0.23	8%	0.075	C	C	.	.	S	Bend	trans	-89	-12.6	-169.5	-40.2	-91.3	0	0	0	113.8	W215 R217 W412	W215-D410 PolarHBondContact NE1-OD1 2.94Å; R217-D410 WeakPolarHBondContact CD-O 3.45Å; R217-D410 PolarHBondContact NE-O 3.44Å; D410-W412 HydrophobicContact CB-CD2 3.64Å; D410-W412 HydrophobicContact CB-CE3 4.08Å; D410-W412 HydrophobicContact CB-CG 4.19Å; D410-W412 HydrophobicContact CB-CH2 3.95Å; D410-W412 HydrophobicContact CB-CZ2 3.48Å; D410-W412 VanDerWaalsContact CB-CZ2 3.48Å; D410-W412 HydrophobicContact CB-CZ3 4.22Å; D410-W412 PolarHBondContact O-N 2.91Å
411	G	97.6	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	78.4	11.2	176.4	0	0	0	0	0	115.9	R217 R234 C235 C408 T415	R217-G411 PolarHBondContact NH2-O 3.47Å; R234-G411 PolarHBondContact NH2-O 2.79Å; R234-G411 VanDerWaalsContact NH2-O 3.08Å; C235-G411 WeakPolarHBondContact O-CA 3.11Å; C408-G411 PolarHBondContact SG-N 3Å; C408-G411 VanDerWaalsContact SG-N 3.42Å; G411-T415 WeakPolarHBondContact CA-OG1 3.33Å
412	W	97.8	Very high	98.2	Very high	13 Å²	13	7.1 Å²	7.1	5%	0.049	3%	0.033	C	C	.	.	S	Bend	trans	-115.8	-8.9	-179.9	57	50.7	0	0	0	115.9	W215 D410 P416 G448 H449 K450	W215-W412 HydrophobicContact CB-CZ3 4.07Å; W215-W412 AromaticContact CD1-CH2 3.57Å; W215-W412 AromaticContact CD1-CZ3 3.83Å; W215-W412 AromaticContact CD2-CH2 3.65Å; W215-W412 HydrophobicContact CD2-CH2 3.65Å; W215-W412 AromaticContact CD2-CZ3 3.95Å; W215-W412 HydrophobicContact CD2-CZ3 3.95Å; W215-W412 AromaticContact CE2-CH2 3.52Å; W215-W412 HydrophobicContact CE3-CH2 4.37Å; W215-W412 AromaticContact CG-CH2 3.7Å; W215-W412 HydrophobicContact CG-CH2 3.7Å; W215-W412 AromaticContact CG-CZ3 3.67Å; W215-W412 HydrophobicContact CG-CZ3 3.67Å; W215-W412 HydrophobicContact CZ2-CH2 4.14Å; W215-W412 AromaticContact NE1-CH2 3.42Å; D410-W412 HydrophobicContact CB-CD2 3.64Å; D410-W412 HydrophobicContact CB-CE3 4.08Å; D410-W412 HydrophobicContact CB-CG 4.19Å; D410-W412 HydrophobicContact CB-CH2 3.95Å; D410-W412 HydrophobicContact CB-CZ2 3.48Å; D410-W412 VanDerWaalsContact CB-CZ2 3.48Å; D410-W412 HydrophobicContact CB-CZ3 4.22Å; D410-W412 PolarHBondContact O-N 2.91Å; W412-P416 VanDerWaalsContact O-CG 3.25Å; W412-P416 WeakPolarHBondContact O-CG 3.3Å; W412-G448 VanDerWaalsContact CB-O 3.27Å; W412-G448 WeakPolarHBondContact CB-O 3.5Å; W412-H449 PolarHBondContact O-ND1 2.9Å; W412-K450 HydrophobicContact CD2-CD 4.25Å; W412-K450 HydrophobicContact CD2-CG 4.3Å; W412-K450 HydrophobicContact CH2-CD 4.37Å; W412-K450 HydrophobicContact CZ2-CD 3.78Å
413	D	98.3	Very high	98.4	Very high	12 Å²	12	5.6 Å²	5.6	6%	0.064	3%	0.027	C	C	.	.	S	Bend	trans	-106	-79.3	178.9	-75.8	-52.8	0	0	0	112.3	I347 T415 P416 Q417 H449 R454 V470	I347-D413 HydrophobicContact CG2-CB 4.4Å; D413-T415 PolarHBondContact O-N 3Å; D413-P416 VanDerWaalsContact O-CD 3.24Å; D413-P416 WeakPolarHBondContact O-CD 3.27Å; D413-P416 VanDerWaalsContact O-CG 3.3Å; D413-P416 WeakPolarHBondContact O-CG 3.25Å; D413-Q417 WeakPolarHBondContact O-CG 3.44Å; D413-H449 IonicContact OD1-CE1 2.78Å; D413-H449 PolarHBondContact OD1-CE1 2.75Å; D413-H449 VanDerWaalsContact OD1-CE1 3.24Å; D413-H449 IonicContact OD1-ND1 3.32Å; D413-R454 IonicContact OD1-CZ 2.75Å; D413-R454 IonicContact OD1-NE 3.04Å; D413-R454 PolarHBondContact OD1-NE 2.81Å; D413-R454 IonicContact OD1-NH2 3.29Å; D413-R454 IonicContact OD2-CZ 2.72Å; D413-R454 IonicContact OD2-NE 2.87Å; D413-R454 PolarHBondContact OD2-NE 3.06Å; D413-R454 IonicContact OD2-NH2 3.98Å; D413-R454 PolarHBondContact OD2-NH2 2.92Å; D413-V470 HydrophobicContact CB-CG1 4.26Å
414	R	98.7	Very high	98.5	Very high	31 Å²	31	5.5 Å²	5.5	12%	0.117	3%	0.027	C	C	.	.	H	α-helix	trans	-69.9	-31.6	-178	-69.3	165.3	-78.5	-158	-4.9	112.9	A312 M344 A345 C408 Q417 I418	A312-R414 HydrophobicContact CB-CB 3.58Å; A312-R414 HydrophobicContact CB-CG 4.32Å; M344-R414 HydrophobicContact CE-CB 4.21Å; M344-R414 HydrophobicContact CE-CG 4.11Å; M344-R414 PolarHBondContact O-NH1 3.25Å; A345-R414 WeakPolarHBondContact O-CD 3.27Å; A345-R414 PolarHBondContact O-NH1 3.36Å; C408-R414 HydrophobicContact CB-CB 4.21Å; R414-Q417 WeakPolarHBondContact O-CB 3.32Å; R414-Q417 PolarHBondContact O-N 2.84Å; R414-I418 WeakPolarHBondContact O-CG1 3.4Å; R414-I418 PolarHBondContact O-N 3.03Å; R414-I418 VanDerWaalsContact O-N 3.1Å
415	T	98.8	Very high	98.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.6	-55.5	179.6	-57.5	0	0	0	0	113.1	R234 V406 H407 C408 G411 D413 Q417 I418 V419	R234-T415 HydrophobicContact CB-CG2 3.72Å; V406-T415 HydrophobicContact CB-CG2 4.45Å; V406-T415 HydrophobicContact CG1-CG2 4.17Å; V406-T415 WeakPolarHBondContact O-CG2 3.4Å; H407-T415 WeakPolarHBondContact CA-OG1 3.24Å; C408-T415 PolarHBondContact N-OG1 3.2Å; C408-T415 PolarHBondContact SG-OG1 3.15Å; C408-T415 VanDerWaalsContact SG-OG1 3.42Å; G411-T415 WeakPolarHBondContact CA-OG1 3.33Å; D413-T415 PolarHBondContact O-N 3Å; T415-Q417 VanDerWaalsContact C-N 3.31Å; T415-Q417 PolarHBondContact O-N 2.93Å; T415-I418 PolarHBondContact O-N 3.02Å; T415-V419 HydrophobicContact CG2-CG2 4.3Å; T415-V419 WeakPolarHBondContact O-CG2 3.5Å; T415-V419 PolarHBondContact O-N 2.93Å
416	P	98.8	Very high	98.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.1	-33.2	177	25	-34	0	0	0	113.1	W412 D413 I418 V419 A420 E443 W444	W412-P416 VanDerWaalsContact O-CG 3.25Å; W412-P416 WeakPolarHBondContact O-CG 3.3Å; D413-P416 VanDerWaalsContact O-CD 3.24Å; D413-P416 WeakPolarHBondContact O-CD 3.27Å; D413-P416 VanDerWaalsContact O-CG 3.3Å; D413-P416 WeakPolarHBondContact O-CG 3.25Å; P416-I418 VanDerWaalsContact C-N 3.34Å; P416-I418 PolarHBondContact O-N 2.97Å; P416-V419 PolarHBondContact O-N 3.26Å; P416-A420 WeakPolarHBondContact O-CB 3.42Å; P416-A420 PolarHBondContact O-N 3.1Å; P416-E443 VanDerWaalsContact CB-O 3.27Å; P416-E443 WeakPolarHBondContact CB-O 3.35Å; P416-W444 HydrophobicContact CB-CD2 4.17Å; P416-W444 HydrophobicContact CB-CZ2 4.39Å; P416-W444 HydrophobicContact CG-CE3 4.4Å; P416-W444 HydrophobicContact CG-CZ3 4.42Å
417	Q	98.9	Very high	98.4	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.019	3%	0.03	C	C	.	.	H	α-helix	trans	-55.4	-49	172.6	-66.9	-179	-38.1	0	0	111.9	L386 D413 R414 T415 L421 W444 V470 W474	L386-Q417 HydrophobicContact CD1-CB 3.56Å; L386-Q417 HydrophobicContact CD2-CB 3.92Å; L386-Q417 HydrophobicContact CD2-CG 4.27Å; L386-Q417 HydrophobicContact CG-CB 4.41Å; D413-Q417 WeakPolarHBondContact O-CG 3.44Å; R414-Q417 WeakPolarHBondContact O-CB 3.32Å; R414-Q417 PolarHBondContact O-N 2.84Å; T415-Q417 VanDerWaalsContact C-N 3.31Å; T415-Q417 PolarHBondContact O-N 2.93Å; Q417-L421 WeakPolarHBondContact O-CB 3.37Å; Q417-L421 VanDerWaalsContact O-CG 3.32Å; Q417-L421 WeakPolarHBondContact O-CG 3.24Å; Q417-L421 PolarHBondContact O-N 2.96Å; Q417-W444 HydrophobicContact CB-CZ2 4.46Å; Q417-W444 HydrophobicContact CG-CH2 3.54Å; Q417-W444 HydrophobicContact CG-CZ2 3.9Å; Q417-V470 HydrophobicContact CG-CG1 4.07Å; Q417-V470 PolarHBondContact NE2-O 3.24Å; Q417-W474 HydrophobicContact CG-CB 4.3Å
418	I	98.9	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68.8	-50.9	-179.9	-63.3	162.7	0	0	0	110.7	L310 A312 M344 L386 A389 V393 V406 R414 T415 P416 A420 L421 S422	L310-I418 HydrophobicContact CD1-CG2 4.41Å; L310-I418 HydrophobicContact CD2-CD1 3.91Å; A312-I418 HydrophobicContact CB-CD1 3.67Å; M344-I418 HydrophobicContact CE-CD1 4.34Å; M344-I418 HydrophobicContact CE-CG1 4.27Å; M344-I418 HydrophobicContact SD-CD1 3.81Å; M344-I418 HydrophobicContact SD-CG1 4.17Å; L386-I418 HydrophobicContact CD1-CG1 3.98Å; A389-I418 HydrophobicContact CB-CD1 4.15Å; A389-I418 HydrophobicContact CB-CG1 3.92Å; A389-I418 HydrophobicContact CB-CG2 4.47Å; V393-I418 HydrophobicContact CG2-CG2 3.83Å; V406-I418 HydrophobicContact CG1-CB 3.99Å; V406-I418 HydrophobicContact CG1-CD1 4.03Å; V406-I418 HydrophobicContact CG1-CG2 3.85Å; V406-I418 HydrophobicContact CG2-CG2 4.4Å; R414-I418 WeakPolarHBondContact O-CG1 3.4Å; R414-I418 PolarHBondContact O-N 3.03Å; R414-I418 VanDerWaalsContact O-N 3.1Å; T415-I418 PolarHBondContact O-N 3.02Å; P416-I418 VanDerWaalsContact C-N 3.34Å; P416-I418 PolarHBondContact O-N 2.97Å; I418-A420 PolarHBondContact O-N 3.48Å; I418-L421 PolarHBondContact O-N 3.41Å; I418-S422 WeakPolarHBondContact O-CB 3.43Å; I418-S422 PolarHBondContact O-N 3.22Å; I418-S422 PolarHBondContact O-OG 3.22Å
419	V	98.9	Very high	98.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-44.9	-175.4	175.4	0	0	0	0	111.1	V222 I232 R234 V406 T415 P416 S422 K423 E443	V222-V419 HydrophobicContact CG2-CG1 3.8Å; I232-V419 HydrophobicContact CG2-CG1 4.41Å; I232-V419 HydrophobicContact CG2-CG2 4.23Å; R234-V419 HydrophobicContact CB-CG2 4.39Å; V406-V419 HydrophobicContact CB-CG2 3.87Å; V406-V419 HydrophobicContact CG1-CG2 4.1Å; V406-V419 HydrophobicContact CG2-CG2 4.08Å; T415-V419 HydrophobicContact CG2-CG2 4.3Å; T415-V419 WeakPolarHBondContact O-CG2 3.5Å; T415-V419 PolarHBondContact O-N 2.93Å; P416-V419 PolarHBondContact O-N 3.26Å; V419-S422 WeakPolarHBondContact O-CB 3.16Å; V419-S422 PolarHBondContact O-N 2.9Å; V419-K423 WeakPolarHBondContact O-CB 3.19Å; V419-K423 PolarHBondContact O-N 3.4Å; V419-E443 HydrophobicContact CG1-CG 4.34Å; V419-E443 WeakPolarHBondContact CG1-OE2 3.41Å
420	A	98.9	Very high	98.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.7	-36.4	-178.7	0	0	0	0	0	112.7	P416 I418 L424 L439 E443 W474	P416-A420 WeakPolarHBondContact O-CB 3.42Å; P416-A420 PolarHBondContact O-N 3.1Å; I418-A420 PolarHBondContact O-N 3.48Å; A420-L424 WeakPolarHBondContact O-CG 3.32Å; A420-L424 PolarHBondContact O-N 3.16Å; A420-L439 HydrophobicContact CB-CD1 4.12Å; A420-L439 HydrophobicContact CB-CD2 4.17Å; A420-L439 HydrophobicContact CB-CG 4.12Å; A420-E443 HydrophobicContact CB-CB 4.07Å; A420-E443 HydrophobicContact CB-CG 4.18Å; A420-W474 HydrophobicContact CB-CZ2 3.62Å
421	L	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.2	-42.2	169.1	-73.8	176.2	0	0	0	111.8	L386 L387 A390 Q417 I418 K423 L424 L425 C477 V478 L481	L386-L421 HydrophobicContact CD1-CD1 3.87Å; L386-L421 HydrophobicContact CD2-CD1 4.12Å; L386-L421 HydrophobicContact CG-CD1 3.6Å; L387-L421 HydrophobicContact CD2-CD1 4.3Å; A390-L421 HydrophobicContact CB-CB 3.47Å; A390-L421 VanDerWaalsContact CB-CB 3.47Å; A390-L421 HydrophobicContact CB-CD1 4.23Å; Q417-L421 WeakPolarHBondContact O-CB 3.37Å; Q417-L421 VanDerWaalsContact O-CG 3.32Å; Q417-L421 WeakPolarHBondContact O-CG 3.24Å; Q417-L421 PolarHBondContact O-N 2.96Å; I418-L421 PolarHBondContact O-N 3.41Å; L421-K423 VanDerWaalsContact C-N 3.29Å; L421-K423 PolarHBondContact O-N 3.3Å; L421-L424 HydrophobicContact CD2-CD1 4.39Å; L421-L424 PolarHBondContact O-N 3.33Å; L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 VanDerWaalsContact O-CG 3.24Å; L421-L425 WeakPolarHBondContact O-CG 3.48Å; L421-L425 PolarHBondContact O-N 2.82Å; L421-C477 HydrophobicContact CD1-CB 3.88Å; L421-C477 HydrophobicContact CD2-CB 3.91Å; L421-V478 HydrophobicContact CD2-CG2 4.25Å; L421-L481 HydrophobicContact CD2-CD1 4.03Å
422	S	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.9	-43	178.2	-53.4	0	0	0	0	110.9	V393 I418 V419 L425 L426	V393-S422 WeakPolarHBondContact CB-OG 3.37Å; I418-S422 WeakPolarHBondContact O-CB 3.43Å; I418-S422 PolarHBondContact O-N 3.22Å; I418-S422 PolarHBondContact O-OG 3.22Å; V419-S422 WeakPolarHBondContact O-CB 3.16Å; V419-S422 PolarHBondContact O-N 2.9Å; S422-L425 PolarHBondContact O-N 2.74Å; S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 WeakPolarHBondContact O-CD1 3.27Å; S422-L426 WeakPolarHBondContact O-CG 3.46Å; S422-L426 PolarHBondContact O-N 2.65Å
423	K	98.8	Very high	98.4	Very high	3 Å²	3	9 Å²	9	1%	0.013	5%	0.045	C	C	.	.	H	α-helix	trans	-57.2	-52	171.7	-87.8	-174.1	165	-173.9	0	112.5	V222 Y223 V419 L421 L425 L426 D427 Y430 L439 E443	V222-K423 WeakPolarHBondContact O-CE 3.42Å; V222-K423 PolarHBondContact O-NZ 3.3Å; Y223-K423 HydrophobicContact CD2-CG 4Å; Y223-K423 HydrophobicContact CG-CG 4.29Å; V419-K423 WeakPolarHBondContact O-CB 3.19Å; V419-K423 PolarHBondContact O-N 3.4Å; L421-K423 VanDerWaalsContact C-N 3.29Å; L421-K423 PolarHBondContact O-N 3.3Å; K423-L425 VanDerWaalsContact C-N 3.25Å; K423-L425 PolarHBondContact O-N 2.73Å; K423-L426 PolarHBondContact O-N 2.94Å; K423-D427 PolarHBondContact O-N 3.49Å; K423-Y430 HydrophobicContact CB-CD2 3.61Å; K423-Y430 HydrophobicContact CB-CE2 3.53Å; K423-Y430 HydrophobicContact CB-CG 4.47Å; K423-Y430 HydrophobicContact CD-CD2 4.43Å; K423-Y430 HydrophobicContact CD-CE1 4.4Å; K423-Y430 HydrophobicContact CD-CE2 3.67Å; K423-Y430 WeakPolarHBondContact CE-OH 3.41Å; K423-Y430 HydrophobicContact CG-CD2 4.2Å; K423-Y430 HydrophobicContact CG-CE2 3.58Å; K423-Y430 PolarHBondContact NZ-OH 3.27Å; K423-L439 HydrophobicContact CB-CD1 3.72Å; K423-L439 HydrophobicContact CD-CD1 3.48Å; K423-L439 VanDerWaalsContact CD-CD1 3.48Å; K423-L439 HydrophobicContact CG-CD1 4.23Å; K423-E443 HydrophobicContact CD-CG 4.16Å; K423-E443 VanDerWaalsContact CE-OE1 3.22Å; K423-E443 WeakPolarHBondContact CE-OE1 3.41Å; K423-E443 IonicContact NZ-OE1 3.73Å; K423-E443 PolarHBondContact NZ-OE1 3.1Å
424	L	98.6	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-35.9	177.3	-72.8	165.9	0	0	0	113.4	A420 L421 Y430 R431 F436 L439 W474 V478 F489	A420-L424 WeakPolarHBondContact O-CG 3.32Å; A420-L424 PolarHBondContact O-N 3.16Å; L421-L424 HydrophobicContact CD2-CD1 4.39Å; L421-L424 PolarHBondContact O-N 3.33Å; L424-Y430 WeakPolarHBondContact CD2-O 3.44Å; L424-R431 HydrophobicContact CD2-CG 4.1Å; L424-R431 VanDerWaalsContact O-CD 3.26Å; L424-R431 WeakPolarHBondContact O-CD 3.48Å; L424-R431 PolarHBondContact O-NE 3.36Å; L424-F436 HydrophobicContact CD1-CE2 4.14Å; L424-F436 HydrophobicContact CD2-CD2 3.89Å; L424-F436 HydrophobicContact CD2-CE2 4.13Å; L424-L439 HydrophobicContact CD1-CD2 3.83Å; L424-L439 HydrophobicContact CD2-CD2 3.67Å; L424-L439 HydrophobicContact CG-CD2 3.45Å; L424-L439 VanDerWaalsContact CG-CD2 3.45Å; L424-W474 HydrophobicContact CD1-CH2 4.43Å; L424-W474 HydrophobicContact CD1-CZ2 3.72Å; L424-V478 HydrophobicContact CD1-CG1 4.47Å; L424-V478 HydrophobicContact CD1-CG2 3.68Å; L424-F489 HydrophobicContact CD2-CE1 4.34Å
425	L	98.8	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-77.6	-30.4	179.8	-68.1	176.9	0	0	0	112.7	A390 V394 L421 S422 K423 L481 V554 L555 P557	A390-L425 HydrophobicContact CB-CD1 4.16Å; V394-L425 HydrophobicContact CG2-CB 3.5Å; V394-L425 HydrophobicContact CG2-CD1 3.85Å; V394-L425 HydrophobicContact CG2-CG 4.33Å; L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 VanDerWaalsContact O-CG 3.24Å; L421-L425 WeakPolarHBondContact O-CG 3.48Å; L421-L425 PolarHBondContact O-N 2.82Å; S422-L425 PolarHBondContact O-N 2.74Å; K423-L425 VanDerWaalsContact C-N 3.25Å; K423-L425 PolarHBondContact O-N 2.73Å; L425-L481 HydrophobicContact CD2-CD1 3.69Å; L425-L481 HydrophobicContact CD2-CD2 3.77Å; L425-L481 HydrophobicContact CD2-CG 4.38Å; L425-L481 HydrophobicContact CG-CD1 4.18Å; L425-V554 CarbonylContact O-C 3.5Å; L425-V554 VanDerWaalsContact O-CA 3.23Å; L425-V554 WeakPolarHBondContact O-CA 3.2Å; L425-L555 HydrophobicContact CD2-CB 3.75Å; L425-L555 PolarHBondContact O-N 2.81Å; L425-P557 HydrophobicContact CD1-CG 4.04Å; L425-P557 HydrophobicContact CD2-CG 3.97Å
426	L	98.5	Very high	98.3	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-88.8	-30.8	-179.5	-75	162.1	0	0	0	114.3	Y223 I232 V394 V397 D398 S422 K423 V554	Y223-L426 HydrophobicContact CD1-CD1 4.2Å; Y223-L426 HydrophobicContact CE1-CB 4.14Å; Y223-L426 HydrophobicContact CE1-CD1 3.81Å; I232-L426 HydrophobicContact CD1-CD1 3.91Å; V394-L426 HydrophobicContact CB-CD2 4.49Å; V394-L426 HydrophobicContact CB-CG 4.49Å; V394-L426 HydrophobicContact CG1-CD2 4.01Å; V394-L426 HydrophobicContact CG1-CG 4.32Å; V394-L426 HydrophobicContact CG2-CG 4.15Å; V397-L426 HydrophobicContact CB-CD1 4.1Å; V397-L426 HydrophobicContact CB-CD2 4.41Å; V397-L426 HydrophobicContact CG1-CD1 3.87Å; V397-L426 HydrophobicContact CG1-CD2 4.18Å; D398-L426 HydrophobicContact CB-CD2 3.91Å; S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 WeakPolarHBondContact O-CD1 3.27Å; S422-L426 WeakPolarHBondContact O-CG 3.46Å; S422-L426 PolarHBondContact O-N 2.65Å; K423-L426 PolarHBondContact O-N 2.94Å; L426-V554 HydrophobicContact CD2-CG1 4.33Å; L426-V554 HydrophobicContact CD2-CG2 4.42Å
427	D	97.7	Very high	98.2	Very high	13 Å²	13	11.3 Å²	11.3	7%	0.07	6%	0.057	C	C	.	.			trans	-131.2	117.9	-163.6	-170.2	-20.1	0	0	0	112.1	R167 Y223 K423 Y429 Y430	R167-D427 IonicContact CZ-OD2 3.81Å; R167-D427 VanDerWaalsContact CZ-OD2 3.25Å; R167-D427 IonicContact NH1-OD1 2.73Å; R167-D427 PolarHBondContact NH1-OD1 3.25Å; R167-D427 IonicContact NH1-OD2 2.74Å; R167-D427 PolarHBondContact NH1-OD2 2.86Å; R167-D427 IonicContact NH2-OD2 3.56Å; R167-D427 PolarHBondContact NH2-OD2 2.83Å; Y223-D427 HydrophobicContact CE2-CB 4.03Å; K423-D427 PolarHBondContact O-N 3.49Å; D427-Y429 PolarHBondContact O-N 3.46Å; D427-Y429 VanDerWaalsContact OD1-CB 3.23Å; D427-Y429 WeakPolarHBondContact OD1-CB 3.37Å; D427-Y429 PolarHBondContact OD1-N 2.87Å; D427-Y430 HydrophobicContact CB-CD2 3.71Å; D427-Y430 HydrophobicContact CB-CE2 3.84Å; D427-Y430 PolarHBondContact O-N 3.5Å
428	P	97.3	Very high	98.2	Very high	45 Å²	45	11.1 Å²	11.1	29%	0.292	6%	0.056	S	C	.	.	G	3₁₀ helix	trans	-66.2	-18.1	178.9	27.6	-34.5	0	0	0	113.7	Y430 R431 T553	P428-Y430 PolarHBondContact O-N 3.39Å; P428-R431 PolarHBondContact O-N 3.11Å; P428-R431 VanDerWaalsContact O-N 3.13Å; P428-T553 HydrophobicContact CG-CG2 4.33Å
429	Y	97.4	Very high	98.2	Very high	53 Å²	53	11.1 Å²	11.1	21%	0.208	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-57.4	-49.2	176.5	172.8	-115.6	0	0	0	111.5	R167 D427 R431 T432 G435 V438	R167-Y429 VanDerWaalsContact NE-CD1 3.32Å; D427-Y429 PolarHBondContact O-N 3.46Å; D427-Y429 VanDerWaalsContact OD1-CB 3.23Å; D427-Y429 WeakPolarHBondContact OD1-CB 3.37Å; D427-Y429 PolarHBondContact OD1-N 2.87Å; Y429-R431 PolarHBondContact O-N 2.68Å; Y429-T432 WeakPolarHBondContact O-CB 3.39Å; Y429-T432 PolarHBondContact O-N 2.96Å; Y429-T432 PolarHBondContact O-OG1 3.23Å; Y429-G435 VanDerWaalsContact CZ-CA 3.47Å; Y429-G435 WeakPolarHBondContact O-CA 3.12Å; Y429-V438 HydrophobicContact CE1-CB 4.44Å; Y429-V438 HydrophobicContact CE1-CG1 4.41Å
430	Y	98.3	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-68.3	-7.6	-178.7	-53.5	-60.2	0	0	0	114.1	E164 R167 M168 Y223 K423 L424 D427 P428 G435 F436 L439	E164-Y430 VanDerWaalsContact OE2-CE1 3.24Å; E164-Y430 WeakPolarHBondContact OE2-CE1 3.4Å; E164-Y430 VanDerWaalsContact OE2-CZ 3.26Å; E164-Y430 PolarHBondContact OE2-OH 3.4Å; R167-Y430 PolarHBondContact NH2-OH 3.41Å; M168-Y430 WeakPolarHBondContact CE-OH 3.06Å; Y223-Y430 HydrophobicContact CD2-CE2 4.27Å; Y223-Y430 HydrophobicContact CE2-CE2 4.15Å; K423-Y430 HydrophobicContact CB-CD2 3.61Å; K423-Y430 HydrophobicContact CB-CE2 3.53Å; K423-Y430 HydrophobicContact CB-CG 4.47Å; K423-Y430 HydrophobicContact CD-CD2 4.43Å; K423-Y430 HydrophobicContact CD-CE1 4.4Å; K423-Y430 HydrophobicContact CD-CE2 3.67Å; K423-Y430 WeakPolarHBondContact CE-OH 3.41Å; K423-Y430 HydrophobicContact CG-CD2 4.2Å; K423-Y430 HydrophobicContact CG-CE2 3.58Å; K423-Y430 PolarHBondContact NZ-OH 3.27Å; L424-Y430 WeakPolarHBondContact CD2-O 3.44Å; D427-Y430 HydrophobicContact CB-CD2 3.71Å; D427-Y430 HydrophobicContact CB-CE2 3.84Å; D427-Y430 PolarHBondContact O-N 3.5Å; P428-Y430 PolarHBondContact O-N 3.39Å; Y430-G435 WeakPolarHBondContact CD1-O 3.46Å; Y430-F436 WeakPolarHBondContact O-CA 3.48Å; Y430-F436 WeakPolarHBondContact O-CB 3.48Å; Y430-F436 PolarHBondContact O-N 3.1Å; Y430-L439 HydrophobicContact CD1-CB 3.93Å; Y430-L439 HydrophobicContact CD1-CD1 4.01Å; Y430-L439 HydrophobicContact CD1-CG 4.48Å; Y430-L439 HydrophobicContact CD2-CD1 4.44Å; Y430-L439 HydrophobicContact CE1-CD1 4.22Å; Y430-L439 HydrophobicContact CG-CB 4.38Å; Y430-L439 HydrophobicContact CG-CD1 4.11Å
431	R	98.4	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-93.8	-6.6	174.9	-56.6	-170.9	-96.8	117.9	-12.6	112.7	L424 P428 Y429 S488 F489 E490 S551 E552 T553	L424-R431 HydrophobicContact CD2-CG 4.1Å; L424-R431 VanDerWaalsContact O-CD 3.26Å; L424-R431 WeakPolarHBondContact O-CD 3.48Å; L424-R431 PolarHBondContact O-NE 3.36Å; P428-R431 PolarHBondContact O-N 3.11Å; P428-R431 VanDerWaalsContact O-N 3.13Å; Y429-R431 PolarHBondContact O-N 2.68Å; R431-S488 VanDerWaalsContact CB-O 3.26Å; R431-S488 WeakPolarHBondContact CB-O 3.09Å; R431-S488 WeakPolarHBondContact CD-O 3.41Å; R431-S488 PolarHBondContact NH1-O 3.45Å; R431-F489 HydrophobicContact CB-CD1 3.76Å; R431-F489 HydrophobicContact CB-CE1 4.13Å; R431-F489 HydrophobicContact CB-CG 4.38Å; R431-F489 HydrophobicContact CG-CD1 3.77Å; R431-F489 HydrophobicContact CG-CE1 3.58Å; R431-F489 HydrophobicContact CG-CZ 4.27Å; R431-F489 WeakPolarHBondContact O-CA 3.44Å; R431-E490 PolarHBondContact O-N 3.4Å; R431-S551 PolarHBondContact NH1-OG 2.95Å; R431-E552 PolarHBondContact NH2-O 2.77Å; R431-T553 PolarHBondContact NH2-O 2.99Å
432	T	97.6	Very high	98	Very high	26 Å²	26	12.2 Å²	12.2	16%	0.16	6%	0.062	C	C	.	.	S	Bend	trans	-74.3	164.2	162.6	68.9	0	0	0	0	110.9	Y429 G435 F436 E490	Y429-T432 WeakPolarHBondContact O-CB 3.39Å; Y429-T432 PolarHBondContact O-N 2.96Å; Y429-T432 PolarHBondContact O-OG1 3.23Å; T432-G435 PolarHBondContact OG1-N 3.47Å; T432-F436 VanDerWaalsContact O-CB 3.31Å; T432-F436 WeakPolarHBondContact O-CB 3.36Å; T432-F436 PolarHBondContact O-N 3.41Å; T432-E490 WeakPolarHBondContact CA-OE2 3.23Å; T432-E490 WeakPolarHBondContact CB-OE2 3.47Å
433	I	97.1	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.2	-48	174.5	-67.6	169.3	0	0	0	110.3	F436 Q437 E490 F491 F495 L535 P537	I433-F436 PolarHBondContact O-N 3.44Å; I433-Q437 WeakPolarHBondContact O-CG 3.44Å; I433-Q437 PolarHBondContact O-N 3.4Å; I433-Q437 VanDerWaalsContact O-N 3.14Å; I433-E490 HydrophobicContact CD1-CG 4.19Å; I433-E490 HydrophobicContact CG1-CB 4.32Å; I433-E490 HydrophobicContact CG1-CG 4.09Å; I433-E490 PolarHBondContact N-OE2 3.42Å; I433-F491 HydrophobicContact CG1-CB 4.13Å; I433-F495 HydrophobicContact CG2-CE2 3.98Å; I433-L535 WeakPolarHBondContact CG2-O 3.23Å; I433-P537 HydrophobicContact CB-CG 4.18Å; I433-P537 HydrophobicContact CG2-CB 4.39Å; I433-P537 HydrophobicContact CG2-CG 3.79Å
434	E	96.1	Very high	97.9	Very high	89 Å²	89	12.1 Å²	12.1	42%	0.416	6%	0.061	S	C	.	.	H	α-helix	trans	-65.2	-45.5	-177.4	-65.8	178.1	174.2	0	0	112.3	H156 F436 Q437 V438 P537	H156-E434 PolarHBondContact CD2-O 3.47Å; E434-F436 VanDerWaalsContact C-N 3.33Å; E434-F436 PolarHBondContact O-N 2.82Å; E434-Q437 WeakPolarHBondContact O-CB 3.34Å; E434-Q437 PolarHBondContact O-N 3.15Å; E434-V438 PolarHBondContact O-N 3.47Å; E434-P537 HydrophobicContact CG-CG 3.56Å
435	G	97.8	Very high	97.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-31.8	177.2	0	0	0	0	0	113	Y429 Y430 T432 V438 L439	Y429-G435 VanDerWaalsContact CZ-CA 3.47Å; Y429-G435 WeakPolarHBondContact O-CA 3.12Å; Y430-G435 WeakPolarHBondContact CD1-O 3.46Å; T432-G435 PolarHBondContact OG1-N 3.47Å; G435-V438 PolarHBondContact O-N 3.42Å; G435-L439 WeakPolarHBondContact O-CB 3.34Å; G435-L439 PolarHBondContact O-N 2.81Å
436	F	98.7	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.8	-37.4	173.8	-164.6	-88.3	0	0	0	112.2	L424 Y430 T432 I433 E434 L439 V440 W474 L475 V478 F491 F495 L496 L499	L424-F436 HydrophobicContact CD1-CE2 4.14Å; L424-F436 HydrophobicContact CD2-CD2 3.89Å; L424-F436 HydrophobicContact CD2-CE2 4.13Å; Y430-F436 WeakPolarHBondContact O-CA 3.48Å; Y430-F436 WeakPolarHBondContact O-CB 3.48Å; Y430-F436 PolarHBondContact O-N 3.1Å; T432-F436 VanDerWaalsContact O-CB 3.31Å; T432-F436 WeakPolarHBondContact O-CB 3.36Å; T432-F436 PolarHBondContact O-N 3.41Å; I433-F436 PolarHBondContact O-N 3.44Å; E434-F436 VanDerWaalsContact C-N 3.33Å; E434-F436 PolarHBondContact O-N 2.82Å; F436-L439 WeakPolarHBondContact O-CB 3.49Å; F436-L439 PolarHBondContact O-N 3.38Å; F436-V440 HydrophobicContact CD1-CG2 4.1Å; F436-V440 HydrophobicContact CE1-CG2 3.77Å; F436-V440 HydrophobicContact CZ-CG2 4.44Å; F436-V440 WeakPolarHBondContact O-CG2 3.27Å; F436-V440 PolarHBondContact O-N 3.14Å; F436-V440 VanDerWaalsContact O-N 3.09Å; F436-W474 HydrophobicContact CE1-CH2 4.18Å; F436-W474 HydrophobicContact CE1-CZ3 4.22Å; F436-W474 AromaticContact CE2-CH2 3.69Å; F436-W474 HydrophobicContact CE2-CH2 3.69Å; F436-W474 HydrophobicContact CE2-CZ2 4.42Å; F436-W474 HydrophobicContact CE2-CZ3 4.33Å; F436-W474 AromaticContact CZ-CH2 3.41Å; F436-W474 HydrophobicContact CZ-CH2 3.41Å; F436-W474 VanDerWaalsContact CZ-CH2 3.41Å; F436-W474 HydrophobicContact CZ-CZ2 4.46Å; F436-W474 AromaticContact CZ-CZ3 3.6Å; F436-W474 HydrophobicContact CZ-CZ3 3.6Å; F436-L475 HydrophobicContact CE1-CD2 4.43Å; F436-L475 HydrophobicContact CZ-CD2 4.07Å; F436-V478 HydrophobicContact CE2-CG1 3.83Å; F436-V478 HydrophobicContact CE2-CG2 4.19Å; F436-V478 HydrophobicContact CZ-CG1 4.23Å; F436-V478 HydrophobicContact CZ-CG2 4.35Å; F436-F491 HydrophobicContact CB-CD1 4.14Å; F436-F491 HydrophobicContact CB-CE1 3.68Å; F436-F491 HydrophobicContact CB-CZ 4.5Å; F436-F491 HydrophobicContact CD2-CD1 4.45Å; F436-F491 AromaticContact CD2-CE1 3.41Å; F436-F491 HydrophobicContact CD2-CE1 3.41Å; F436-F491 VanDerWaalsContact CD2-CE1 3.41Å; F436-F491 HydrophobicContact CD2-CE2 4.42Å; F436-F491 AromaticContact CD2-CZ 3.37Å; F436-F491 HydrophobicContact CD2-CZ 3.37Å; F436-F491 HydrophobicContact CE2-CE1 4.17Å; F436-F491 HydrophobicContact CE2-CE2 4.41Å; F436-F491 AromaticContact CE2-CZ 3.65Å; F436-F491 HydrophobicContact CE2-CZ 3.65Å; F436-F491 HydrophobicContact CG-CD1 4.29Å; F436-F491 AromaticContact CG-CE1 3.63Å; F436-F491 HydrophobicContact CG-CE1 3.63Å; F436-F491 AromaticContact CG-CZ 3.97Å; F436-F491 HydrophobicContact CG-CZ 3.97Å; F436-F491 HydrophobicContact CZ-CZ 4.44Å; F436-F495 AromaticContact CD1-CE1 3.65Å; F436-F495 HydrophobicContact CD1-CE1 3.65Å; F436-F495 HydrophobicContact CD1-CZ 4.1Å; F436-F495 AromaticContact CE1-CE1 3.99Å; F436-F495 HydrophobicContact CE1-CE1 3.99Å; F436-F495 HydrophobicContact CG-CE1 4.38Å; F436-L496 HydrophobicContact CE1-CD2 4.45Å; F436-L496 HydrophobicContact CZ-CD2 4.1Å; F436-L499 HydrophobicContact CE1-CD2 3.67Å
437	Q	98.1	Very high	97.8	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-61.3	-47.7	172.6	-64.7	178.6	-6.5	0	0	110.7	H156 V157 I433 E434 L439 V440 E441 W532 L535	H156-Q437 PolarHBondContact CE1-OE1 3.05Å; H156-Q437 PolarHBondContact NE2-OE1 3.12Å; V157-Q437 HydrophobicContact CG2-CB 4.13Å; I433-Q437 WeakPolarHBondContact O-CG 3.44Å; I433-Q437 PolarHBondContact O-N 3.4Å; I433-Q437 VanDerWaalsContact O-N 3.14Å; E434-Q437 WeakPolarHBondContact O-CB 3.34Å; E434-Q437 PolarHBondContact O-N 3.15Å; Q437-L439 VanDerWaalsContact C-N 3.31Å; Q437-L439 PolarHBondContact O-N 3.43Å; Q437-V440 PolarHBondContact O-N 3.5Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 2.88Å; Q437-W532 HydrophobicContact CB-CD2 4.07Å; Q437-W532 HydrophobicContact CB-CE3 4.29Å; Q437-W532 HydrophobicContact CB-CG 4.41Å; Q437-W532 HydrophobicContact CG-CD2 3.71Å; Q437-W532 HydrophobicContact CG-CE3 3.54Å; Q437-W532 HydrophobicContact CG-CG 4.15Å; Q437-W532 HydrophobicContact CG-CZ3 3.99Å; Q437-L535 PolarHBondContact NE2-O 3.03Å
438	V	98.3	Very high	97.8	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-40.2	173.7	169.4	0	0	0	0	111.6	H156 V157 W160 E164 Y429 E434 G435 V440 E441 T442	H156-V438 WeakPolarHBondContact O-CG2 3.42Å; V157-V438 HydrophobicContact CG2-CG2 4.17Å; W160-V438 HydrophobicContact CB-CG1 4.16Å; W160-V438 HydrophobicContact CB-CG2 4.42Å; E164-V438 HydrophobicContact CG-CG1 4.06Å; Y429-V438 HydrophobicContact CE1-CB 4.44Å; Y429-V438 HydrophobicContact CE1-CG1 4.41Å; E434-V438 PolarHBondContact O-N 3.47Å; G435-V438 PolarHBondContact O-N 3.42Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 PolarHBondContact O-N 3.29Å; V438-E441 PolarHBondContact O-N 3.41Å; V438-T442 HydrophobicContact CG1-CG2 3.98Å; V438-T442 VanDerWaalsContact O-CB 3.29Å; V438-T442 WeakPolarHBondContact O-CB 3.32Å; V438-T442 WeakPolarHBondContact O-CG2 3.26Å; V438-T442 PolarHBondContact O-N 2.74Å; V438-T442 PolarHBondContact O-OG1 3.16Å
439	L	98.8	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-39.1	178.7	-173.7	69.5	0	0	0	113.1	A420 K423 L424 Y430 G435 F436 Q437 T442 E443 W474	A420-L439 HydrophobicContact CB-CD1 4.12Å; A420-L439 HydrophobicContact CB-CD2 4.17Å; A420-L439 HydrophobicContact CB-CG 4.12Å; K423-L439 HydrophobicContact CB-CD1 3.72Å; K423-L439 HydrophobicContact CD-CD1 3.48Å; K423-L439 VanDerWaalsContact CD-CD1 3.48Å; K423-L439 HydrophobicContact CG-CD1 4.23Å; L424-L439 HydrophobicContact CD1-CD2 3.83Å; L424-L439 HydrophobicContact CD2-CD2 3.67Å; L424-L439 HydrophobicContact CG-CD2 3.45Å; L424-L439 VanDerWaalsContact CG-CD2 3.45Å; Y430-L439 HydrophobicContact CD1-CB 3.93Å; Y430-L439 HydrophobicContact CD1-CD1 4.01Å; Y430-L439 HydrophobicContact CD1-CG 4.48Å; Y430-L439 HydrophobicContact CD2-CD1 4.44Å; Y430-L439 HydrophobicContact CE1-CD1 4.22Å; Y430-L439 HydrophobicContact CG-CB 4.38Å; Y430-L439 HydrophobicContact CG-CD1 4.11Å; G435-L439 WeakPolarHBondContact O-CB 3.34Å; G435-L439 PolarHBondContact O-N 2.81Å; F436-L439 WeakPolarHBondContact O-CB 3.49Å; F436-L439 PolarHBondContact O-N 3.38Å; Q437-L439 VanDerWaalsContact C-N 3.31Å; Q437-L439 PolarHBondContact O-N 3.43Å; L439-T442 WeakPolarHBondContact CA-OG1 3.44Å; L439-T442 PolarHBondContact O-OG1 2.81Å; L439-E443 HydrophobicContact CD1-CG 3.95Å; L439-E443 PolarHBondContact O-N 3.07Å; L439-E443 VanDerWaalsContact O-N 3.08Å; L439-W474 HydrophobicContact CD2-CH2 4.03Å; L439-W474 HydrophobicContact CD2-CZ2 3.77Å
440	V	98.8	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-73.1	-46.2	177.2	175.7	0	0	0	0	110.8	F436 Q437 V438 T442 W444 L445 F471 W474 F511 W532	F436-V440 HydrophobicContact CD1-CG2 4.1Å; F436-V440 HydrophobicContact CE1-CG2 3.77Å; F436-V440 HydrophobicContact CZ-CG2 4.44Å; F436-V440 WeakPolarHBondContact O-CG2 3.27Å; F436-V440 PolarHBondContact O-N 3.14Å; F436-V440 VanDerWaalsContact O-N 3.09Å; Q437-V440 PolarHBondContact O-N 3.5Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 PolarHBondContact O-N 3.29Å; V440-T442 VanDerWaalsContact C-N 3.32Å; V440-T442 PolarHBondContact O-N 3.48Å; V440-W444 VanDerWaalsContact O-CB 3.31Å; V440-W444 WeakPolarHBondContact O-CB 3.34Å; V440-W444 PolarHBondContact O-N 3.18Å; V440-L445 HydrophobicContact CG1-CD1 4.25Å; V440-L445 PolarHBondContact O-N 2.98Å; V440-L445 VanDerWaalsContact O-N 3.13Å; V440-F471 HydrophobicContact CG1-CE2 4.14Å; V440-F471 HydrophobicContact CG1-CZ 3.78Å; V440-F471 HydrophobicContact CG2-CE2 4.28Å; V440-F471 HydrophobicContact CG2-CZ 4.07Å; V440-W474 HydrophobicContact CG2-CH2 4.06Å; V440-W474 HydrophobicContact CG2-CZ3 3.96Å; V440-F511 HydrophobicContact CG1-CE1 3.83Å; V440-F511 HydrophobicContact CG1-CZ 4.08Å; V440-W532 HydrophobicContact CB-CH2 3.91Å; V440-W532 HydrophobicContact CB-CZ2 3.96Å; V440-W532 HydrophobicContact CG1-CH2 3.91Å; V440-W532 HydrophobicContact CG1-CZ2 3.89Å; V440-W532 HydrophobicContact CG2-CH2 4.26Å
441	E	97.6	Very high	97.9	Very high	22 Å²	22	11.2 Å²	11.2	10%	0.103	6%	0.055	C	C	.	.	I	π-helix	trans	-59.6	-42.8	177.6	-69.4	-80.9	-159.6	0	0	111.5	V157 Q437 V438 L445 D446 W532	V157-E441 HydrophobicContact CG1-CB 4.17Å; V157-E441 HydrophobicContact CG1-CG 3.62Å; V157-E441 HydrophobicContact CG2-CG 4.12Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 2.88Å; V438-E441 PolarHBondContact O-N 3.41Å; E441-L445 HydrophobicContact CG-CD1 4.5Å; E441-L445 WeakPolarHBondContact O-CB 3.37Å; E441-L445 PolarHBondContact O-N 2.84Å; E441-L445 WeakPolarHBondContact OE2-CD1 3.43Å; E441-D446 WeakPolarHBondContact O-CB 3.42Å; E441-D446 PolarHBondContact O-N 3.27Å; E441-W532 HydrophobicContact CG-CZ2 4.25Å; E441-W532 PolarHBondContact OE1-NE1 3.37Å
442	T	96.3	Very high	97.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.056	C	C	.	.	I	π-helix	trans	-71.5	-70.1	178.9	52.5	0	0	0	0	113.5	W160 V438 L439 V440 W444 F447	W160-T442 HydrophobicContact CD2-CG2 3.28Å; W160-T442 HydrophobicContact CE3-CG2 3.16Å; W160-T442 HydrophobicContact CG-CG2 3.93Å; W160-T442 HydrophobicContact CH2-CG2 3.71Å; W160-T442 HydrophobicContact CZ2-CG2 3.81Å; W160-T442 HydrophobicContact CZ3-CG2 3.4Å; W160-T442 VanDerWaalsContact CZ3-CG2 3.4Å; V438-T442 HydrophobicContact CG1-CG2 3.98Å; V438-T442 VanDerWaalsContact O-CB 3.29Å; V438-T442 WeakPolarHBondContact O-CB 3.32Å; V438-T442 WeakPolarHBondContact O-CG2 3.26Å; V438-T442 PolarHBondContact O-N 2.74Å; V438-T442 PolarHBondContact O-OG1 3.16Å; L439-T442 WeakPolarHBondContact CA-OG1 3.44Å; L439-T442 PolarHBondContact O-OG1 2.81Å; V440-T442 VanDerWaalsContact C-N 3.32Å; V440-T442 PolarHBondContact O-N 3.48Å; T442-W444 VanDerWaalsContact C-N 3.32Å; T442-W444 PolarHBondContact O-N 3.45Å; T442-F447 WeakPolarHBondContact O-CD2 3.37Å; T442-F447 PolarHBondContact O-N 3.35Å
443	E	98.3	Very high	97.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.056	C	C	.	.	I	π-helix	trans	-73.2	-27.6	-165.6	-63.6	-59.2	154.8	0	0	112.5	R234 P416 V419 A420 K423 L439	R234-E443 WeakPolarHBondContact CD-OE2 3.23Å; R234-E443 IonicContact CZ-OE2 3.1Å; R234-E443 PolarHBondContact NH1-O 3.45Å; R234-E443 IonicContact NH1-OE2 3.87Å; R234-E443 PolarHBondContact NH1-OE2 3.09Å; P416-E443 VanDerWaalsContact CB-O 3.27Å; P416-E443 WeakPolarHBondContact CB-O 3.35Å; V419-E443 HydrophobicContact CG1-CG 4.34Å; V419-E443 WeakPolarHBondContact CG1-OE2 3.41Å; A420-E443 HydrophobicContact CB-CB 4.07Å; A420-E443 HydrophobicContact CB-CG 4.18Å; K423-E443 HydrophobicContact CD-CG 4.16Å; K423-E443 VanDerWaalsContact CE-OE1 3.22Å; K423-E443 WeakPolarHBondContact CE-OE1 3.41Å; K423-E443 IonicContact NZ-OE1 3.73Å; K423-E443 PolarHBondContact NZ-OE1 3.1Å; L439-E443 HydrophobicContact CD1-CG 3.95Å; L439-E443 PolarHBondContact O-N 3.07Å; L439-E443 VanDerWaalsContact O-N 3.08Å
444	W	98.7	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-102.4	-51.5	-177.2	-65.6	83.7	0	0	0	112.7	P416 Q417 V440 T442 H449 F451 V470 F471 W474	P416-W444 HydrophobicContact CB-CD2 4.17Å; P416-W444 HydrophobicContact CB-CZ2 4.39Å; P416-W444 HydrophobicContact CG-CE3 4.4Å; P416-W444 HydrophobicContact CG-CZ3 4.42Å; Q417-W444 HydrophobicContact CB-CZ2 4.46Å; Q417-W444 HydrophobicContact CG-CH2 3.54Å; Q417-W444 HydrophobicContact CG-CZ2 3.9Å; V440-W444 VanDerWaalsContact O-CB 3.31Å; V440-W444 WeakPolarHBondContact O-CB 3.34Å; V440-W444 PolarHBondContact O-N 3.18Å; T442-W444 VanDerWaalsContact C-N 3.32Å; T442-W444 PolarHBondContact O-N 3.45Å; W444-H449 HydrophobicContact CB-CB 4.45Å; W444-H449 HydrophobicContact CE3-CB 3.84Å; W444-H449 AromaticContact CE3-CD2 3.67Å; W444-H449 AromaticContact CE3-CG 3.54Å; W444-H449 AromaticContact CE3-ND1 3.98Å; W444-H449 AromaticContact CZ3-CD2 3.87Å; W444-H449 AromaticContact CZ3-CE1 3.86Å; W444-H449 AromaticContact CZ3-CG 3.84Å; W444-H449 AromaticContact CZ3-ND1 3.82Å; W444-H449 AromaticContact CZ3-NE2 3.88Å; W444-H449 WeakPolarHBondContact O-CB 3.43Å; W444-H449 PolarHBondContact O-N 2.89Å; W444-F451 HydrophobicContact CB-CE2 3.89Å; W444-F451 HydrophobicContact CB-CZ 3.99Å; W444-F451 HydrophobicContact CE3-CZ 4.18Å; W444-V470 HydrophobicContact CH2-CG1 4.12Å; W444-V470 HydrophobicContact CZ3-CG1 4.08Å; W444-F471 AromaticContact CD2-CD2 3.51Å; W444-F471 HydrophobicContact CD2-CD2 3.51Å; W444-F471 AromaticContact CD2-CE2 3.87Å; W444-F471 HydrophobicContact CD2-CE2 3.87Å; W444-F471 AromaticContact CE2-CD2 3.7Å; W444-F471 HydrophobicContact CE3-CB 4.26Å; W444-F471 AromaticContact CE3-CD2 3.57Å; W444-F471 HydrophobicContact CE3-CD2 3.57Å; W444-F471 HydrophobicContact CE3-CE2 4.35Å; W444-F471 HydrophobicContact CE3-CG 4.32Å; W444-F471 HydrophobicContact CG-CD2 4.07Å; W444-F471 AromaticContact CG-CE2 3.95Å; W444-F471 HydrophobicContact CG-CE2 3.95Å; W444-F471 HydrophobicContact CH2-CB 4.37Å; W444-F471 HydrophobicContact CH2-CD2 4.01Å; W444-F471 AromaticContact CZ2-CD2 3.98Å; W444-F471 HydrophobicContact CZ2-CD2 3.98Å; W444-F471 HydrophobicContact CZ3-CB 3.92Å; W444-F471 AromaticContact CZ3-CD2 3.82Å; W444-F471 HydrophobicContact CZ3-CD2 3.82Å; W444-F471 HydrophobicContact CZ3-CG 4.36Å; W444-W474 AromaticContact CE2-CD2 3.98Å; W444-W474 HydrophobicContact CH2-CB 3.86Å; W444-W474 HydrophobicContact CH2-CG 4.27Å; W444-W474 HydrophobicContact CZ2-CB 3.52Å; W444-W474 AromaticContact CZ2-CD1 3.89Å; W444-W474 AromaticContact CZ2-CD2 3.74Å; W444-W474 HydrophobicContact CZ2-CD2 3.74Å; W444-W474 HydrophobicContact CZ2-CE3 4.19Å; W444-W474 AromaticContact CZ2-CG 3.42Å; W444-W474 HydrophobicContact CZ2-CG 3.42Å; W444-W474 VanDerWaalsContact CZ2-CG 3.42Å; W444-W474 AromaticContact NE1-CD2 3.79Å; W444-W474 AromaticContact NE1-CE2 3.87Å; W444-W474 AromaticContact NE1-CE3 3.9Å
445	L	98.2	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-83.2	-53.3	-170.4	-70.5	165.4	0	0	0	112.5	V440 E441 G448 F451 T510 F511 R519	V440-L445 HydrophobicContact CG1-CD1 4.25Å; V440-L445 PolarHBondContact O-N 2.98Å; V440-L445 VanDerWaalsContact O-N 3.13Å; E441-L445 HydrophobicContact CG-CD1 4.5Å; E441-L445 WeakPolarHBondContact O-CB 3.37Å; E441-L445 PolarHBondContact O-N 2.84Å; E441-L445 WeakPolarHBondContact OE2-CD1 3.43Å; L445-G448 PolarHBondContact O-N 3.12Å; L445-F451 HydrophobicContact CD2-CD2 3.55Å; L445-F451 HydrophobicContact CD2-CE2 3.46Å; L445-F451 VanDerWaalsContact CD2-CE2 3.46Å; L445-F451 HydrophobicContact CD2-CG 4.5Å; L445-F451 HydrophobicContact CD2-CZ 4.38Å; L445-F451 HydrophobicContact CG-CE2 3.95Å; L445-T510 HydrophobicContact CD1-CG2 3.68Å; L445-T510 WeakPolarHBondContact CD2-O 3.47Å; L445-F511 HydrophobicContact CD1-CD1 4.36Å; L445-F511 HydrophobicContact CD1-CE1 4.12Å; L445-F511 HydrophobicContact CD2-CD1 4.06Å; L445-R519 PolarHBondContact O-NH2 3.39Å
446	D	96.6	Very high	97.4	Very high	39 Å²	39	8 Å²	8	21%	0.209	4%	0.04	C	C	.	.	I	π-helix	trans	-74.5	-37.6	-177.4	-85.5	-2.3	0	0	0	113	W160 Y191 P192 E441 G448	W160-D446 HydrophobicContact CZ2-CB 4.43Å; W160-D446 PolarHBondContact NE1-OD2 3.34Å; Y191-D446 CarbonylContact C-O 3.58Å; P192-D446 HydrophobicContact CB-CB 4.24Å; P192-D446 WeakPolarHBondContact CD-O 3.4Å; E441-D446 WeakPolarHBondContact O-CB 3.42Å; E441-D446 PolarHBondContact O-N 3.27Å; D446-G448 PolarHBondContact O-N 3.41Å
447	F	98.4	Very high	97.1	Very high	6 Å²	6	8 Å²	8	3%	0.026	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	11.4	169.5	-87.6	-79.5	0	0	0	114.3	S190 Y191 P192 L195 R217 V222 R234 T442	S190-F447 CarbonylContact O-C 3.5Å; Y191-F447 AromaticContact CD1-CD1 3.62Å; Y191-F447 HydrophobicContact CD1-CD1 3.62Å; Y191-F447 AromaticContact CD1-CE1 3.87Å; Y191-F447 HydrophobicContact CD1-CE1 3.87Å; Y191-F447 HydrophobicContact CD2-CE1 4.38Å; Y191-F447 AromaticContact CE1-CD1 3.6Å; Y191-F447 HydrophobicContact CE1-CD1 3.6Å; Y191-F447 AromaticContact CE1-CE1 3.77Å; Y191-F447 HydrophobicContact CE1-CE1 3.77Å; Y191-F447 HydrophobicContact CE2-CE1 4.29Å; Y191-F447 HydrophobicContact CG-CD1 4.28Å; Y191-F447 HydrophobicContact CG-CE1 4.16Å; Y191-F447 AromaticContact CZ-CE1 3.97Å; P192-F447 HydrophobicContact CG-CD2 4.27Å; P192-F447 HydrophobicContact CG-CE1 4.31Å; P192-F447 HydrophobicContact CG-CE2 3.85Å; P192-F447 HydrophobicContact CG-CZ 3.87Å; L195-F447 HydrophobicContact CD2-CE1 4.09Å; L195-F447 HydrophobicContact CD2-CZ 3.92Å; R217-F447 PolarHBondContact NH1-O 3.13Å; R217-F447 PolarHBondContact NH2-O 2.85Å; V222-F447 HydrophobicContact CG1-CD2 4.41Å; V222-F447 HydrophobicContact CG1-CE1 4.29Å; V222-F447 HydrophobicContact CG1-CE2 3.47Å; V222-F447 VanDerWaalsContact CG1-CE2 3.47Å; V222-F447 HydrophobicContact CG1-CZ 3.39Å; R234-F447 HydrophobicContact CG-CD1 4.39Å; R234-F447 HydrophobicContact CG-CE1 4.18Å; T442-F447 WeakPolarHBondContact O-CD2 3.37Å; T442-F447 PolarHBondContact O-N 3.35Å
448	G	98.1	Very high	96.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	49.8	161.6	0	0	0	0	0	115.3	S190 W412 L445 D446 N514	S190-G448 PolarHBondContact O-N 3.26Å; W412-G448 VanDerWaalsContact CB-O 3.27Å; W412-G448 WeakPolarHBondContact CB-O 3.5Å; L445-G448 PolarHBondContact O-N 3.12Å; D446-G448 PolarHBondContact O-N 3.41Å; G448-N514 CarbonylContact C-O 3.55Å; G448-N514 WeakPolarHBondContact CA-O 3.38Å
449	H	98.7	Very high	96.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.06	C	C	.	.			trans	-66	131.3	158.6	-175.3	65.4	0	0	0	109.3	W412 D413 W444 F451	W412-H449 PolarHBondContact O-ND1 2.9Å; D413-H449 IonicContact OD1-CE1 2.78Å; D413-H449 PolarHBondContact OD1-CE1 2.75Å; D413-H449 VanDerWaalsContact OD1-CE1 3.24Å; D413-H449 IonicContact OD1-ND1 3.32Å; W444-H449 HydrophobicContact CB-CB 4.45Å; W444-H449 HydrophobicContact CE3-CB 3.84Å; W444-H449 AromaticContact CE3-CD2 3.67Å; W444-H449 AromaticContact CE3-CG 3.54Å; W444-H449 AromaticContact CE3-ND1 3.98Å; W444-H449 AromaticContact CZ3-CD2 3.87Å; W444-H449 AromaticContact CZ3-CE1 3.86Å; W444-H449 AromaticContact CZ3-CG 3.84Å; W444-H449 AromaticContact CZ3-ND1 3.82Å; W444-H449 AromaticContact CZ3-NE2 3.88Å; W444-H449 WeakPolarHBondContact O-CB 3.43Å; W444-H449 PolarHBondContact O-N 2.89Å; H449-F451 HydrophobicContact CB-CD2 4.12Å; H449-F451 HydrophobicContact CB-CE2 3.9Å; H449-F451 AromaticContact CD2-CD1 3.99Å; H449-F451 AromaticContact CD2-CD2 3.74Å; H449-F451 AromaticContact CD2-CE1 3.95Å; H449-F451 AromaticContact CD2-CE2 3.7Å; H449-F451 AromaticContact CD2-CG 3.89Å; H449-F451 AromaticContact CD2-CZ 3.81Å; H449-F451 WeakPolarHBondContact O-CD2 3.38Å; H449-F451 PolarHBondContact O-N 2.69Å
450	K	97.8	Very high	95.2	Very high	46 Å²	46	16.7 Å²	16.7	20%	0.2	9%	0.087	C	C	.	.			trans	-74.8	62.4	-174.7	-65.8	-178.6	136.6	-133.4	0	112.8	W412 A452 D453 R454 N514	W412-K450 HydrophobicContact CD2-CD 4.25Å; W412-K450 HydrophobicContact CD2-CG 4.3Å; W412-K450 HydrophobicContact CH2-CD 4.37Å; W412-K450 HydrophobicContact CZ2-CD 3.78Å; K450-A452 VanDerWaalsContact C-N 3.34Å; K450-A452 PolarHBondContact O-N 2.79Å; K450-D453 HydrophobicContact CB-CB 4.1Å; K450-D453 WeakPolarHBondContact CD-OD2 3.45Å; K450-D453 WeakPolarHBondContact CE-OD2 3.36Å; K450-D453 IonicContact NZ-OD2 3.7Å; K450-D453 PolarHBondContact NZ-OD2 3.34Å; K450-D453 PolarHBondContact O-N 2.88Å; K450-R454 HydrophobicContact CB-CG 4.17Å; K450-R454 WeakPolarHBondContact O-CB 3.44Å; K450-R454 WeakPolarHBondContact O-CG 3.33Å; K450-R454 PolarHBondContact O-N 3.08Å; K450-N514 WeakPolarHBondContact CA-OD1 3.31Å; K450-N514 HydrophobicContact CB-CB 4.25Å; K450-N514 WeakPolarHBondContact CB-OD1 3.44Å; K450-N514 HydrophobicContact CG-CB 4.21Å; K450-N514 PolarHBondContact O-OD1 3.33Å
451	F	98.1	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-44.6	-175.2	-81	-83.6	0	0	0	112.8	W444 L445 H449 D453 R454 C455 F471 T503 F511 N514	W444-F451 HydrophobicContact CB-CE2 3.89Å; W444-F451 HydrophobicContact CB-CZ 3.99Å; W444-F451 HydrophobicContact CE3-CZ 4.18Å; L445-F451 HydrophobicContact CD2-CD2 3.55Å; L445-F451 HydrophobicContact CD2-CE2 3.46Å; L445-F451 VanDerWaalsContact CD2-CE2 3.46Å; L445-F451 HydrophobicContact CD2-CG 4.5Å; L445-F451 HydrophobicContact CD2-CZ 4.38Å; L445-F451 HydrophobicContact CG-CE2 3.95Å; H449-F451 HydrophobicContact CB-CD2 4.12Å; H449-F451 HydrophobicContact CB-CE2 3.9Å; H449-F451 AromaticContact CD2-CD1 3.99Å; H449-F451 AromaticContact CD2-CD2 3.74Å; H449-F451 AromaticContact CD2-CE1 3.95Å; H449-F451 AromaticContact CD2-CE2 3.7Å; H449-F451 AromaticContact CD2-CG 3.89Å; H449-F451 AromaticContact CD2-CZ 3.81Å; H449-F451 WeakPolarHBondContact O-CD2 3.38Å; H449-F451 PolarHBondContact O-N 2.69Å; F451-D453 PolarHBondContact O-N 3.43Å; F451-R454 PolarHBondContact O-N 3.19Å; F451-C455 WeakPolarHBondContact O-CB 3.47Å; F451-C455 PolarHBondContact O-N 2.9Å; F451-C455 PolarHBondContact O-SG 3.43Å; F451-F471 HydrophobicContact CE1-CB 3.89Å; F451-F471 AromaticContact CE1-CD1 3.72Å; F451-F471 HydrophobicContact CE1-CD1 3.72Å; F451-F471 HydrophobicContact CE1-CD2 4.29Å; F451-F471 HydrophobicContact CE1-CE1 4.26Å; F451-F471 AromaticContact CE1-CG 3.73Å; F451-F471 HydrophobicContact CE1-CG 3.73Å; F451-F471 HydrophobicContact CZ-CB 4.38Å; F451-F471 HydrophobicContact CZ-CD1 4.21Å; F451-F471 HydrophobicContact CZ-CD2 4.08Å; F451-F471 HydrophobicContact CZ-CE1 4.47Å; F451-F471 HydrophobicContact CZ-CE2 4.37Å; F451-F471 AromaticContact CZ-CG 3.99Å; F451-F471 HydrophobicContact CZ-CG 3.99Å; F451-T503 HydrophobicContact CD1-CG2 4.35Å; F451-T503 HydrophobicContact CE1-CG2 4.3Å; F451-F511 WeakPolarHBondContact CB-O 3.34Å; F451-F511 HydrophobicContact CD1-CB 4.12Å; F451-F511 AromaticContact CD1-CD1 3.72Å; F451-F511 HydrophobicContact CD1-CD1 3.72Å; F451-F511 HydrophobicContact CD1-CG 4.28Å; F451-F511 HydrophobicContact CD2-CD1 4.3Å; F451-F511 AromaticContact CE1-CD1 3.39Å; F451-F511 HydrophobicContact CE1-CD1 3.39Å; F451-F511 AromaticContact CE1-CE1 3.89Å; F451-F511 HydrophobicContact CE1-CE1 3.89Å; F451-F511 HydrophobicContact CE1-CG 4.27Å; F451-F511 HydrophobicContact CE2-CD1 4Å; F451-F511 HydrophobicContact CE2-CE1 4.43Å; F451-F511 HydrophobicContact CG-CB 4.35Å; F451-F511 HydrophobicContact CG-CD1 4.17Å; F451-F511 AromaticContact CZ-CD1 3.55Å; F451-F511 HydrophobicContact CZ-CD1 3.55Å; F451-F511 AromaticContact CZ-CE1 3.77Å; F451-F511 HydrophobicContact CZ-CE1 3.77Å; F451-N514 PolarHBondContact N-OD1 3.48Å
452	A	96.3	Very high	93.5	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-39.9	179.8	0	0	0	0	0	113.6	K450 G456 H457 G458 C513 N514	K450-A452 VanDerWaalsContact C-N 3.34Å; K450-A452 PolarHBondContact O-N 2.79Å; A452-G456 WeakPolarHBondContact O-CA 3.29Å; A452-G456 PolarHBondContact O-N 2.99Å; A452-G456 VanDerWaalsContact O-N 3.09Å; A452-H457 VanDerWaalsContact CA-CE1 3.48Å; A452-H457 WeakPolarHBondContact CA-CE1 3.09Å; A452-H457 PolarHBondContact O-N 3.3Å; A452-G458 PolarHBondContact O-N 3.12Å; A452-G458 VanDerWaalsContact O-N 3.16Å; A452-C513 PolarHBondContact N-O 3.23Å; A452-C513 VanDerWaalsContact N-O 3.16Å; A452-N514 WeakPolarHBondContact CB-OD1 3.22Å; A452-N514 PolarHBondContact N-OD1 3.39Å; A452-N514 VanDerWaalsContact N-OD1 3.14Å
453	D	95.9	Very high	92.9	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.144	13%	0.13	C	C	.	.	H	α-helix	trans	-72.7	-49.1	175.1	-56.5	-13.9	0	0	0	111.1	K450 F451 C455 G456 E466 N514	K450-D453 HydrophobicContact CB-CB 4.1Å; K450-D453 WeakPolarHBondContact CD-OD2 3.45Å; K450-D453 WeakPolarHBondContact CE-OD2 3.36Å; K450-D453 IonicContact NZ-OD2 3.7Å; K450-D453 PolarHBondContact NZ-OD2 3.34Å; K450-D453 PolarHBondContact O-N 2.88Å; F451-D453 PolarHBondContact O-N 3.43Å; D453-C455 PolarHBondContact O-N 2.64Å; D453-G456 PolarHBondContact O-N 3.05Å; D453-E466 HydrophobicContact CB-CB 4.08Å; D453-N514 VanDerWaalsContact CG-ND2 3.28Å; D453-N514 PolarHBondContact N-OD1 2.87Å; D453-N514 PolarHBondContact OD1-ND2 2.04Å; D453-N514 PolarHBondContact OD1-OD1 3Å; D453-N514 PolarHBondContact OD2-ND2 3.1Å
454	R	97.1	Very high	92.4	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-34.4	-173.6	-65.9	-80.9	172.2	-80	-1.7	112.7	D413 K450 F451 E466 R467 C468	D413-R454 IonicContact OD1-CZ 2.75Å; D413-R454 IonicContact OD1-NE 3.04Å; D413-R454 PolarHBondContact OD1-NE 2.81Å; D413-R454 IonicContact OD1-NH2 3.29Å; D413-R454 IonicContact OD2-CZ 2.72Å; D413-R454 IonicContact OD2-NE 2.87Å; D413-R454 PolarHBondContact OD2-NE 3.06Å; D413-R454 IonicContact OD2-NH2 3.98Å; D413-R454 PolarHBondContact OD2-NH2 2.92Å; K450-R454 HydrophobicContact CB-CG 4.17Å; K450-R454 WeakPolarHBondContact O-CB 3.44Å; K450-R454 WeakPolarHBondContact O-CG 3.33Å; K450-R454 PolarHBondContact O-N 3.08Å; F451-R454 PolarHBondContact O-N 3.19Å; R454-E466 WeakPolarHBondContact CA-O 3.49Å; R454-E466 WeakPolarHBondContact CD-O 3.22Å; R454-E466 IonicContact CZ-OE2 3.07Å; R454-E466 PolarHBondContact NH1-O 3.11Å; R454-E466 IonicContact NH1-OE2 2.68Å; R454-E466 PolarHBondContact NH1-OE2 3.17Å; R454-E466 IonicContact NH2-OE2 2.73Å; R454-E466 PolarHBondContact NH2-OE2 2.87Å; R454-R467 CarbonylContact O-C 3.4Å; R454-R467 WeakPolarHBondContact O-CA 3.41Å; R454-C468 PolarHBondContact O-N 2.78Å
455	C	95.3	Very high	92	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-93.9	-11.9	177.1	-55.7	0	0	0	0	112.8	K92 F451 D453 H457 Y504	K92-C455 WeakPolarHBondContact CE-O 3.3Å; K92-C455 PolarHBondContact NZ-O 2.8Å; F451-C455 WeakPolarHBondContact O-CB 3.47Å; F451-C455 PolarHBondContact O-N 2.9Å; F451-C455 PolarHBondContact O-SG 3.43Å; D453-C455 PolarHBondContact O-N 2.64Å; C455-H457 VanDerWaalsContact CB-CD2 3.46Å; C455-H457 WeakPolarHBondContact CB-CD2 3.47Å; C455-Y504 HydrophobicContact CB-CD1 3.84Å; C455-Y504 HydrophobicContact CB-CE1 3.82Å
456	G	92.6	Very high	91.8	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	48.7	179.2	0	0	0	0	0	113.2	A452 D453	A452-G456 WeakPolarHBondContact O-CA 3.29Å; A452-G456 PolarHBondContact O-N 2.99Å; A452-G456 VanDerWaalsContact O-N 3.09Å; D453-G456 PolarHBondContact O-N 3.05Å
457	H	90.9	Very high	91.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	18%	0.175	C	C	.	.			trans	-130.7	17.9	172.8	65.4	59	0	0	0	112.3	A452 C455 F511	A452-H457 VanDerWaalsContact CA-CE1 3.48Å; A452-H457 WeakPolarHBondContact CA-CE1 3.09Å; A452-H457 PolarHBondContact O-N 3.3Å; C455-H457 VanDerWaalsContact CB-CD2 3.46Å; C455-H457 WeakPolarHBondContact CB-CD2 3.47Å; H457-F511 PolarHBondContact CE1-O 2.96Å; H457-F511 PolarHBondContact NE2-O 3.04Å
458	G	87.4	Confident	91.6	Very high	9 Å²	9	34.4 Å²	34.4	9%	0.093	18%	0.176	C	C	.	.	S	Bend	trans	-71.8	155.4	167.8	0	0	0	0	0	112.1	A452 N460 S461	A452-G458 PolarHBondContact O-N 3.12Å; A452-G458 VanDerWaalsContact O-N 3.16Å; G458-N460 PolarHBondContact O-N 3.34Å; G458-S461 WeakPolarHBondContact O-CB 3.49Å; G458-S461 PolarHBondContact O-N 3.42Å; G458-S461 VanDerWaalsContact O-N 3.16Å
459	E	87.8	Confident	91.5	Very high	73 Å²	73	34.8 Å²	34.8	34%	0.341	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	120.6	175.7	-67.7	176.1	138.7	0	0	110.3	P121 R123 L124 S461 R522	P121-E459 WeakPolarHBondContact O-CA 3.49Å; R123-E459 WeakPolarHBondContact CA-OE1 3.48Å; L124-E459 HydrophobicContact CB-CG 4.2Å; L124-E459 PolarHBondContact N-OE1 2.85Å; E459-S461 PolarHBondContact O-N 3.5Å; E459-S461 VanDerWaalsContact O-N 3.17Å; E459-R522 VanDerWaalsContact CD-NH1 3.27Å; E459-R522 IonicContact OE1-CZ 3.26Å; E459-R522 IonicContact OE1-NH1 2.79Å; E459-R522 PolarHBondContact OE1-NH1 3.04Å; E459-R522 IonicContact OE1-NH2 3.45Å; E459-R522 PolarHBondContact OE1-NH2 3.45Å; E459-R522 IonicContact OE2-CZ 3.48Å; E459-R522 IonicContact OE2-NH1 2.78Å; E459-R522 PolarHBondContact OE2-NH1 3.42Å; E459-R522 IonicContact OE2-NH2 2.69Å
460	N	81.6	Confident	91.5	Very high	103 Å²	103	35 Å²	35	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	32.5	-179.9	-46	-81.9	0	0	0	113.2	P121 S122 G458 E462	P121-N460 PolarHBondContact O-N 2.91Å; S122-N460 PolarHBondContact O-ND2 3.15Å; S122-N460 VanDerWaalsContact O-ND2 3.17Å; G458-N460 PolarHBondContact O-N 3.34Å; N460-E462 VanDerWaalsContact C-N 3.25Å; N460-E462 PolarHBondContact O-N 2.97Å
461	S	82.8	Confident	91.6	Very high	16 Å²	16	33 Å²	33	11%	0.112	17%	0.171	C	C	.	.			trans	-75.5	68.8	-178.5	-172.2	0	0	0	0	112.6	P120 G458 E459 R467	P120-S461 VanDerWaalsContact CG-O 3.3Å; P120-S461 WeakPolarHBondContact CG-O 3.46Å; G458-S461 WeakPolarHBondContact O-CB 3.49Å; G458-S461 PolarHBondContact O-N 3.42Å; G458-S461 VanDerWaalsContact O-N 3.16Å; E459-S461 PolarHBondContact O-N 3.5Å; E459-S461 VanDerWaalsContact O-N 3.17Å; S461-R467 PolarHBondContact O-NH2 3.14Å
462	E	75.9	Confident	91.6	Very high	123 Å²	123	33 Å²	33	58%	0.575	17%	0.171	S	C	*	.			trans	-77.8	-20	-177.5	-61	-54.6	142.3	0	0	114.1	P120 N460 L464	P120-E462 WeakPolarHBondContact CD-OE1 3.41Å; P120-E462 VanDerWaalsContact CG-OE1 3.31Å; P120-E462 WeakPolarHBondContact CG-OE1 3.45Å; N460-E462 VanDerWaalsContact C-N 3.25Å; N460-E462 PolarHBondContact O-N 2.97Å; E462-L464 PolarHBondContact O-N 3.45Å
463	D	85.1	Confident	91.7	Very high	61 Å²	61	33.2 Å²	33.2	33%	0.326	17%	0.171	S	C	.	.			trans	-73.6	100.8	-179.7	-167.4	-3.4	0	0	0	112.1	N465	D463-N465 PolarHBondContact O-N 3.01Å; D463-N465 VanDerWaalsContact OD1-CB 3.24Å; D463-N465 WeakPolarHBondContact OD1-CB 3.34Å; D463-N465 PolarHBondContact OD1-N 3.33Å; D463-N465 PolarHBondContact OD1-ND2 2.94Å
464	L	86.9	Confident	91.9	Very high	98 Å²	98	32 Å²	32	51%	0.513	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.7	177.2	-53.5	-176.2	0	0	0	113.5	R351 E462 R467	R351-L464 PolarHBondContact NH1-O 2.95Å; E462-L464 PolarHBondContact O-N 3.45Å; L464-R467 VanDerWaalsContact CD2-CZ 3.42Å
465	N	90.8	Very high	91.9	Very high	76 Å²	76	31.6 Å²	31.6	41%	0.406	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.4	-178.8	-61.7	-60.9	0	0	0	114.7	H348 R351 D463 R467	H348-N465 PolarHBondContact CE1-O 2.97Å; H348-N465 PolarHBondContact ND1-O 3.07Å; R351-N465 PolarHBondContact NH1-OD1 3.44Å; R351-N465 PolarHBondContact NH2-OD1 3.09Å; D463-N465 PolarHBondContact O-N 3.01Å; D463-N465 VanDerWaalsContact OD1-CB 3.24Å; D463-N465 WeakPolarHBondContact OD1-CB 3.34Å; D463-N465 PolarHBondContact OD1-N 3.33Å; D463-N465 PolarHBondContact OD1-ND2 2.94Å; N465-R467 VanDerWaalsContact C-N 3.31Å
466	E	92.9	Very high	92.1	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.093	16%	0.161	C	C	.	.	S	Bend	trans	-78.5	-15.2	172.9	-70.1	-61.7	116.8	0	0	112.7	D453 R454 C468 S882	D453-E466 HydrophobicContact CB-CB 4.08Å; R454-E466 WeakPolarHBondContact CA-O 3.49Å; R454-E466 WeakPolarHBondContact CD-O 3.22Å; R454-E466 IonicContact CZ-OE2 3.07Å; R454-E466 PolarHBondContact NH1-O 3.11Å; R454-E466 IonicContact NH1-OE2 2.68Å; R454-E466 PolarHBondContact NH1-OE2 3.17Å; R454-E466 IonicContact NH2-OE2 2.73Å; R454-E466 PolarHBondContact NH2-OE2 2.87Å; E466-C468 PolarHBondContact O-N 3.46Å; E466-S882 WeakPolarHBondContact OE1-CB 3.3Å; E466-S882 PolarHBondContact OE1-OG 3.1Å
467	R	94.4	Very high	92.4	Very high	41 Å²	41	31.2 Å²	31.2	16%	0.155	16%	0.16	C	C	.	.			trans	-70.8	122	179	-61.3	-176.3	-174.9	-165.9	0.5	111	R351 R454 S461 L464 N465	R351-R467 WeakPolarHBondContact CD-O 3.5Å; R454-R467 CarbonylContact O-C 3.4Å; R454-R467 WeakPolarHBondContact O-CA 3.41Å; S461-R467 PolarHBondContact O-NH2 3.14Å; L464-R467 VanDerWaalsContact CD2-CZ 3.42Å; N465-R467 VanDerWaalsContact C-N 3.31Å
468	C	96.6	Very high	92.8	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.041	16%	0.16	C	C	.	.			trans	-159.8	137	-177.9	-177.8	0	0	0	0	112.3	I347 R454 E466 V470	I347-C468 HydrophobicContact CB-CB 3.86Å; I347-C468 HydrophobicContact CG2-CB 4.32Å; I347-C468 PolarHBondContact O-SG 2.8Å; R454-C468 PolarHBondContact O-N 2.78Å; E466-C468 PolarHBondContact O-N 3.46Å; C468-V470 HydrophobicContact CB-CG2 3.9Å; C468-V470 PolarHBondContact O-N 3.24Å; C468-V470 WeakPolarHBondContact SG-CG2 3.35Å
469	P	97.3	Very high	93.3	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.058	16%	0.157	C	C	.	.			trans	-76.7	48.2	-178	34.1	-39.4	0	0	0	114	I350 F354 W379 F471 L472 Q473	I350-P469 HydrophobicContact CG2-CG 4.33Å; F354-P469 HydrophobicContact CB-CG 3.84Å; F354-P469 HydrophobicContact CD1-CB 4.37Å; F354-P469 HydrophobicContact CD1-CG 3.84Å; F354-P469 HydrophobicContact CD2-CG 4.12Å; F354-P469 HydrophobicContact CE1-CB 4.43Å; F354-P469 HydrophobicContact CE1-CG 4.38Å; F354-P469 HydrophobicContact CG-CB 4.44Å; F354-P469 HydrophobicContact CG-CG 3.69Å; W379-P469 HydrophobicContact CH2-CG 4.34Å; W379-P469 HydrophobicContact CZ3-CG 4.43Å; P469-F471 PolarHBondContact O-N 2.75Å; P469-L472 HydrophobicContact CB-CB 4.03Å; P469-L472 HydrophobicContact CB-CD2 4.07Å; P469-L472 HydrophobicContact CB-CG 4.4Å; P469-L472 PolarHBondContact O-N 2.73Å; P469-Q473 WeakPolarHBondContact O-CB 3.31Å; P469-Q473 PolarHBondContact O-N 3.08Å
470	V	98.6	Very high	93.8	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-42.7	-173.3	-176.2	0	0	0	0	112.4	I347 D413 Q417 W444 C468 W474	I347-V470 HydrophobicContact CG2-CG2 4.18Å; D413-V470 HydrophobicContact CB-CG1 4.26Å; Q417-V470 HydrophobicContact CG-CG1 4.07Å; Q417-V470 PolarHBondContact NE2-O 3.24Å; W444-V470 HydrophobicContact CH2-CG1 4.12Å; W444-V470 HydrophobicContact CZ3-CG1 4.08Å; C468-V470 HydrophobicContact CB-CG2 3.9Å; C468-V470 PolarHBondContact O-N 3.24Å; C468-V470 WeakPolarHBondContact SG-CG2 3.35Å; V470-W474 PolarHBondContact O-N 3.06Å
471	F	98.8	Very high	94.6	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-72.1	-39.8	175.9	-171.9	-123.8	0	0	0	112.2	V440 W444 F451 P469 Q473 W474 L475 L499 T503 F511	V440-F471 HydrophobicContact CG1-CE2 4.14Å; V440-F471 HydrophobicContact CG1-CZ 3.78Å; V440-F471 HydrophobicContact CG2-CE2 4.28Å; V440-F471 HydrophobicContact CG2-CZ 4.07Å; W444-F471 AromaticContact CD2-CD2 3.51Å; W444-F471 HydrophobicContact CD2-CD2 3.51Å; W444-F471 AromaticContact CD2-CE2 3.87Å; W444-F471 HydrophobicContact CD2-CE2 3.87Å; W444-F471 AromaticContact CE2-CD2 3.7Å; W444-F471 HydrophobicContact CE3-CB 4.26Å; W444-F471 AromaticContact CE3-CD2 3.57Å; W444-F471 HydrophobicContact CE3-CD2 3.57Å; W444-F471 HydrophobicContact CE3-CE2 4.35Å; W444-F471 HydrophobicContact CE3-CG 4.32Å; W444-F471 HydrophobicContact CG-CD2 4.07Å; W444-F471 AromaticContact CG-CE2 3.95Å; W444-F471 HydrophobicContact CG-CE2 3.95Å; W444-F471 HydrophobicContact CH2-CB 4.37Å; W444-F471 HydrophobicContact CH2-CD2 4.01Å; W444-F471 AromaticContact CZ2-CD2 3.98Å; W444-F471 HydrophobicContact CZ2-CD2 3.98Å; W444-F471 HydrophobicContact CZ3-CB 3.92Å; W444-F471 AromaticContact CZ3-CD2 3.82Å; W444-F471 HydrophobicContact CZ3-CD2 3.82Å; W444-F471 HydrophobicContact CZ3-CG 4.36Å; F451-F471 HydrophobicContact CE1-CB 3.89Å; F451-F471 AromaticContact CE1-CD1 3.72Å; F451-F471 HydrophobicContact CE1-CD1 3.72Å; F451-F471 HydrophobicContact CE1-CD2 4.29Å; F451-F471 HydrophobicContact CE1-CE1 4.26Å; F451-F471 AromaticContact CE1-CG 3.73Å; F451-F471 HydrophobicContact CE1-CG 3.73Å; F451-F471 HydrophobicContact CZ-CB 4.38Å; F451-F471 HydrophobicContact CZ-CD1 4.21Å; F451-F471 HydrophobicContact CZ-CD2 4.08Å; F451-F471 HydrophobicContact CZ-CE1 4.47Å; F451-F471 HydrophobicContact CZ-CE2 4.37Å; F451-F471 AromaticContact CZ-CG 3.99Å; F451-F471 HydrophobicContact CZ-CG 3.99Å; P469-F471 PolarHBondContact O-N 2.75Å; F471-Q473 VanDerWaalsContact C-N 3.34Å; F471-Q473 PolarHBondContact O-N 3.2Å; F471-W474 AromaticContact CD2-CE3 3.85Å; F471-W474 HydrophobicContact CD2-CE3 3.85Å; F471-W474 HydrophobicContact CD2-CZ3 4.39Å; F471-W474 AromaticContact CE2-CE3 3.5Å; F471-W474 HydrophobicContact CE2-CE3 3.5Å; F471-W474 AromaticContact CE2-CZ3 3.59Å; F471-W474 HydrophobicContact CE2-CZ3 3.59Å; F471-W474 HydrophobicContact CZ-CE3 4.33Å; F471-W474 HydrophobicContact CZ-CZ3 4.15Å; F471-W474 WeakPolarHBondContact O-CB 3.44Å; F471-W474 PolarHBondContact O-N 3.44Å; F471-W474 VanDerWaalsContact O-N 3.09Å; F471-L475 HydrophobicContact CD1-CD1 3.88Å; F471-L475 HydrophobicContact CD1-CG 4.43Å; F471-L475 HydrophobicContact CE1-CD1 3.68Å; F471-L475 HydrophobicContact CE1-CG 4.27Å; F471-L475 HydrophobicContact CZ-CD1 4.19Å; F471-L475 HydrophobicContact CZ-CD2 4.28Å; F471-L475 HydrophobicContact CZ-CG 4.35Å; F471-L475 WeakPolarHBondContact O-CG 3.5Å; F471-L475 PolarHBondContact O-N 3.49Å; F471-L499 HydrophobicContact CE1-CG 4.33Å; F471-L499 HydrophobicContact CZ-CD2 4.35Å; F471-T503 HydrophobicContact CD1-CG2 3.92Å; F471-T503 WeakPolarHBondContact CD1-OG1 3.15Å; F471-F511 AromaticContact CE1-CE1 3.84Å; F471-F511 HydrophobicContact CE1-CE1 3.84Å; F471-F511 AromaticContact CE1-CZ 3.92Å; F471-F511 HydrophobicContact CE1-CZ 3.92Å; F471-F511 HydrophobicContact CZ-CE1 4.05Å; F471-F511 HydrophobicContact CZ-CZ 4.21Å
472	L	98.7	Very high	95.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-39.4	174.3	171.2	55.7	0	0	0	112.1	F354 P469 W474 L475 D476 V500 W567 V570 Y571	F354-L472 HydrophobicContact CE2-CD2 3.88Å; F354-L472 HydrophobicContact CZ-CD2 3.64Å; P469-L472 HydrophobicContact CB-CB 4.03Å; P469-L472 HydrophobicContact CB-CD2 4.07Å; P469-L472 HydrophobicContact CB-CG 4.4Å; P469-L472 PolarHBondContact O-N 2.73Å; L472-W474 VanDerWaalsContact C-N 3.28Å; L472-W474 PolarHBondContact O-N 2.7Å; L472-L475 PolarHBondContact O-N 3.01Å; L472-D476 PolarHBondContact O-N 2.91Å; L472-V500 HydrophobicContact CD1-CB 4.42Å; L472-V500 HydrophobicContact CD1-CG1 3.78Å; L472-V500 HydrophobicContact CD1-CG2 3.69Å; L472-W567 HydrophobicContact CD1-CZ3 4.34Å; L472-V570 HydrophobicContact CD1-CG1 4.2Å; L472-Y571 HydrophobicContact CD1-CE1 4.08Å; L472-Y571 HydrophobicContact CD2-CE1 4.21Å; L472-Y571 HydrophobicContact CG-CE1 4.34Å
473	Q	98.8	Very high	96.2	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-35.7	172.8	-171.9	-175.8	26.6	0	0	112.6	W379 L383 P469 F471 C477	W379-Q473 HydrophobicContact CH2-CB 3.71Å; W379-Q473 HydrophobicContact CH2-CG 3.94Å; W379-Q473 HydrophobicContact CZ2-CB 4.1Å; W379-Q473 HydrophobicContact CZ2-CG 4.19Å; W379-Q473 HydrophobicContact CZ3-CG 4.48Å; L383-Q473 HydrophobicContact CD2-CG 3.8Å; L383-Q473 WeakPolarHBondContact CD2-O 3.33Å; P469-Q473 WeakPolarHBondContact O-CB 3.31Å; P469-Q473 PolarHBondContact O-N 3.08Å; F471-Q473 VanDerWaalsContact C-N 3.34Å; F471-Q473 PolarHBondContact O-N 3.2Å; Q473-C477 PolarHBondContact O-N 2.96Å; Q473-C477 PolarHBondContact O-SG 2.94Å; Q473-C477 VanDerWaalsContact O-SG 3.42Å
474	W	98.9	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-44.7	174.7	178.5	77.3	0	0	0	111.8	Q417 A420 L424 F436 L439 V440 W444 V470 F471 L472 D476 C477 V478	Q417-W474 HydrophobicContact CG-CB 4.3Å; A420-W474 HydrophobicContact CB-CZ2 3.62Å; L424-W474 HydrophobicContact CD1-CH2 4.43Å; L424-W474 HydrophobicContact CD1-CZ2 3.72Å; F436-W474 HydrophobicContact CE1-CH2 4.18Å; F436-W474 HydrophobicContact CE1-CZ3 4.22Å; F436-W474 AromaticContact CE2-CH2 3.69Å; F436-W474 HydrophobicContact CE2-CH2 3.69Å; F436-W474 HydrophobicContact CE2-CZ2 4.42Å; F436-W474 HydrophobicContact CE2-CZ3 4.33Å; F436-W474 AromaticContact CZ-CH2 3.41Å; F436-W474 HydrophobicContact CZ-CH2 3.41Å; F436-W474 VanDerWaalsContact CZ-CH2 3.41Å; F436-W474 HydrophobicContact CZ-CZ2 4.46Å; F436-W474 AromaticContact CZ-CZ3 3.6Å; F436-W474 HydrophobicContact CZ-CZ3 3.6Å; L439-W474 HydrophobicContact CD2-CH2 4.03Å; L439-W474 HydrophobicContact CD2-CZ2 3.77Å; V440-W474 HydrophobicContact CG2-CH2 4.06Å; V440-W474 HydrophobicContact CG2-CZ3 3.96Å; W444-W474 AromaticContact CE2-CD2 3.98Å; W444-W474 HydrophobicContact CH2-CB 3.86Å; W444-W474 HydrophobicContact CH2-CG 4.27Å; W444-W474 HydrophobicContact CZ2-CB 3.52Å; W444-W474 AromaticContact CZ2-CD1 3.89Å; W444-W474 AromaticContact CZ2-CD2 3.74Å; W444-W474 HydrophobicContact CZ2-CD2 3.74Å; W444-W474 HydrophobicContact CZ2-CE3 4.19Å; W444-W474 AromaticContact CZ2-CG 3.42Å; W444-W474 HydrophobicContact CZ2-CG 3.42Å; W444-W474 VanDerWaalsContact CZ2-CG 3.42Å; W444-W474 AromaticContact NE1-CD2 3.79Å; W444-W474 AromaticContact NE1-CE2 3.87Å; W444-W474 AromaticContact NE1-CE3 3.9Å; V470-W474 PolarHBondContact O-N 3.06Å; F471-W474 AromaticContact CD2-CE3 3.85Å; F471-W474 HydrophobicContact CD2-CE3 3.85Å; F471-W474 HydrophobicContact CD2-CZ3 4.39Å; F471-W474 AromaticContact CE2-CE3 3.5Å; F471-W474 HydrophobicContact CE2-CE3 3.5Å; F471-W474 AromaticContact CE2-CZ3 3.59Å; F471-W474 HydrophobicContact CE2-CZ3 3.59Å; F471-W474 HydrophobicContact CZ-CE3 4.33Å; F471-W474 HydrophobicContact CZ-CZ3 4.15Å; F471-W474 WeakPolarHBondContact O-CB 3.44Å; F471-W474 PolarHBondContact O-N 3.44Å; F471-W474 VanDerWaalsContact O-N 3.09Å; L472-W474 VanDerWaalsContact C-N 3.28Å; L472-W474 PolarHBondContact O-N 2.7Å; W474-D476 VanDerWaalsContact C-N 3.3Å; W474-D476 PolarHBondContact O-N 2.84Å; W474-C477 CarbonylContact O-C 3.51Å; W474-C477 WeakPolarHBondContact O-CA 3.33Å; W474-C477 VanDerWaalsContact O-CB 3.31Å; W474-C477 WeakPolarHBondContact O-CB 3.49Å; W474-C477 PolarHBondContact O-N 3.22Å; W474-V478 HydrophobicContact CD2-CG2 4.13Å; W474-V478 HydrophobicContact CE3-CG2 4.33Å; W474-V478 HydrophobicContact CH2-CG2 4.16Å; W474-V478 HydrophobicContact CZ2-CG2 3.93Å; W474-V478 HydrophobicContact CZ3-CG2 4.35Å; W474-V478 WeakPolarHBondContact O-CG2 3.47Å; W474-V478 PolarHBondContact O-N 3.04Å
475	L	98.9	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-35.9	176.1	-68.4	176.1	0	0	0	112.3	F436 F471 L472 V478 H479 L496 L499 V500 W567	F436-L475 HydrophobicContact CE1-CD2 4.43Å; F436-L475 HydrophobicContact CZ-CD2 4.07Å; F471-L475 HydrophobicContact CD1-CD1 3.88Å; F471-L475 HydrophobicContact CD1-CG 4.43Å; F471-L475 HydrophobicContact CE1-CD1 3.68Å; F471-L475 HydrophobicContact CE1-CG 4.27Å; F471-L475 HydrophobicContact CZ-CD1 4.19Å; F471-L475 HydrophobicContact CZ-CD2 4.28Å; F471-L475 HydrophobicContact CZ-CG 4.35Å; F471-L475 WeakPolarHBondContact O-CG 3.5Å; F471-L475 PolarHBondContact O-N 3.49Å; L472-L475 PolarHBondContact O-N 3.01Å; L475-V478 PolarHBondContact O-N 3.13Å; L475-H479 PolarHBondContact O-N 3.45Å; L475-L496 HydrophobicContact CD2-CD2 4.14Å; L475-L499 HydrophobicContact CD1-CB 4.48Å; L475-L499 HydrophobicContact CD1-CD2 4.3Å; L475-L499 HydrophobicContact CD1-CG 4.15Å; L475-L499 HydrophobicContact CD2-CD2 3.79Å; L475-V500 HydrophobicContact CB-CG2 4.19Å; L475-V500 HydrophobicContact CD1-CG2 3.58Å; L475-W567 HydrophobicContact CB-CH2 4.25Å; L475-W567 HydrophobicContact CB-CZ3 4Å
476	D	98.8	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-45.7	170.4	-168.2	-7.4	0	0	0	110.7	W379 L383 L472 W474 V478 H479 Q480 W567 Y571	W379-D476 PolarHBondContact NE1-OD2 3.24Å; L383-D476 HydrophobicContact CD1-CB 4.36Å; L383-D476 VanDerWaalsContact CD1-OD2 3.26Å; L383-D476 WeakPolarHBondContact CD1-OD2 3.43Å; L383-D476 HydrophobicContact CD2-CB 4.06Å; L472-D476 PolarHBondContact O-N 2.91Å; W474-D476 VanDerWaalsContact C-N 3.3Å; W474-D476 PolarHBondContact O-N 2.84Å; D476-V478 VanDerWaalsContact C-N 3.31Å; D476-V478 PolarHBondContact O-N 2.95Å; D476-H479 CarbonylContact O-C 3.26Å; D476-H479 WeakPolarHBondContact O-CA 3.35Å; D476-H479 WeakPolarHBondContact O-CB 3.49Å; D476-H479 PolarHBondContact O-N 3.39Å; D476-H479 IonicContact OD1-CE1 3.47Å; D476-H479 IonicContact OD1-ND1 2.7Å; D476-H479 PolarHBondContact OD1-ND1 3.46Å; D476-H479 VanDerWaalsContact OD1-ND1 3.12Å; D476-Q480 WeakPolarHBondContact O-CG 3.3Å; D476-Q480 PolarHBondContact O-N 2.86Å; D476-Q480 PolarHBondContact OD1-NE2 3.31Å; D476-W567 HydrophobicContact CB-CE3 3.93Å; D476-W567 HydrophobicContact CB-CZ3 4.4Å; D476-Y571 WeakPolarHBondContact OD2-CE2 3.3Å; D476-Y571 PolarHBondContact OD2-OH 3.47Å
477	C	98.9	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-39.9	172.9	-68.4	0	0	0	0	112.8	L383 L387 L421 Q473 W474 Q480 L481	L383-C477 VanDerWaalsContact CD2-SG 3.59Å; L387-C477 HydrophobicContact CD2-CB 4.1Å; L387-C477 HydrophobicContact CG-CB 4.35Å; L421-C477 HydrophobicContact CD1-CB 3.88Å; L421-C477 HydrophobicContact CD2-CB 3.91Å; Q473-C477 PolarHBondContact O-N 2.96Å; Q473-C477 PolarHBondContact O-SG 2.94Å; Q473-C477 VanDerWaalsContact O-SG 3.42Å; W474-C477 CarbonylContact O-C 3.51Å; W474-C477 WeakPolarHBondContact O-CA 3.33Å; W474-C477 VanDerWaalsContact O-CB 3.31Å; W474-C477 WeakPolarHBondContact O-CB 3.49Å; W474-C477 PolarHBondContact O-N 3.22Å; C477-Q480 PolarHBondContact O-N 3.03Å; C477-L481 WeakPolarHBondContact O-CG 3.48Å; C477-L481 PolarHBondContact O-N 2.9Å
478	V	98.9	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-41.9	173.7	-178.8	0	0	0	0	111.1	L421 L424 F436 W474 L475 D476 L481 Q482 F491 L496	L421-V478 HydrophobicContact CD2-CG2 4.25Å; L424-V478 HydrophobicContact CD1-CG1 4.47Å; L424-V478 HydrophobicContact CD1-CG2 3.68Å; F436-V478 HydrophobicContact CE2-CG1 3.83Å; F436-V478 HydrophobicContact CE2-CG2 4.19Å; F436-V478 HydrophobicContact CZ-CG1 4.23Å; F436-V478 HydrophobicContact CZ-CG2 4.35Å; W474-V478 HydrophobicContact CD2-CG2 4.13Å; W474-V478 HydrophobicContact CE3-CG2 4.33Å; W474-V478 HydrophobicContact CH2-CG2 4.16Å; W474-V478 HydrophobicContact CZ2-CG2 3.93Å; W474-V478 HydrophobicContact CZ3-CG2 4.35Å; W474-V478 WeakPolarHBondContact O-CG2 3.47Å; W474-V478 PolarHBondContact O-N 3.04Å; L475-V478 PolarHBondContact O-N 3.13Å; D476-V478 VanDerWaalsContact C-N 3.31Å; D476-V478 PolarHBondContact O-N 2.95Å; V478-L481 WeakPolarHBondContact O-CB 3.45Å; V478-L481 PolarHBondContact O-N 3.05Å; V478-L481 VanDerWaalsContact O-N 3.16Å; V478-Q482 PolarHBondContact O-N 3.37Å; V478-F491 HydrophobicContact CG1-CE2 3.99Å; V478-F491 HydrophobicContact CG1-CZ 4.09Å; V478-L496 HydrophobicContact CG1-CD1 4.08Å; V478-L496 HydrophobicContact CG1-CD2 4Å
479	H	98.4	Very high	97.8	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-42	172.7	146.3	-99.8	0	0	0	112	L475 D476 L481 Q482 R483 L496 W567	L475-H479 PolarHBondContact O-N 3.45Å; D476-H479 CarbonylContact O-C 3.26Å; D476-H479 WeakPolarHBondContact O-CA 3.35Å; D476-H479 WeakPolarHBondContact O-CB 3.49Å; D476-H479 PolarHBondContact O-N 3.39Å; D476-H479 IonicContact OD1-CE1 3.47Å; D476-H479 IonicContact OD1-ND1 2.7Å; D476-H479 PolarHBondContact OD1-ND1 3.46Å; D476-H479 VanDerWaalsContact OD1-ND1 3.12Å; H479-L481 VanDerWaalsContact C-N 3.31Å; H479-L481 PolarHBondContact O-N 2.64Å; H479-Q482 PolarHBondContact O-N 2.99Å; H479-R483 WeakPolarHBondContact NE2-CD 3.34Å; H479-R483 WeakPolarHBondContact O-CG 3.02Å; H479-R483 PolarHBondContact O-N 2.81Å; H479-L496 HydrophobicContact CB-CD1 4.07Å; H479-W567 HydrophobicContact CB-CD2 4.02Å; H479-W567 HydrophobicContact CB-CE3 4.28Å; H479-W567 HydrophobicContact CB-CH2 4.39Å; H479-W567 HydrophobicContact CB-CZ2 4.12Å; H479-W567 HydrophobicContact CB-CZ3 4.45Å; H479-W567 AromaticContact CD2-CD1 3.51Å; H479-W567 AromaticContact CD2-CG 3.96Å; H479-W567 AromaticContact CD2-NE1 3.55Å; H479-W567 AromaticContact CE1-CD1 3.58Å; H479-W567 AromaticContact CE1-CG 3.53Å; H479-W567 AromaticContact CG-CD1 3.77Å; H479-W567 AromaticContact CG-CD2 3.77Å; H479-W567 AromaticContact CG-CE2 3.83Å; H479-W567 AromaticContact CG-CG 3.77Å; H479-W567 AromaticContact CG-NE1 3.81Å; H479-W567 AromaticContact ND1-CD1 3.81Å; H479-W567 AromaticContact ND1-CD2 3.8Å; H479-W567 AromaticContact ND1-CG 3.48Å; H479-W567 AromaticContact NE2-CD1 3.41Å; H479-W567 AromaticContact NE2-CG 3.85Å; H479-W567 AromaticContact NE2-NE1 3.95Å
480	Q	98.6	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-39.5	173.1	-55.3	-55.9	-38.9	0	0	111.6	L383 L387 D476 C477 R483 Q484 L564 M565	L383-Q480 HydrophobicContact CD1-CG 4.46Å; L387-Q480 HydrophobicContact CD1-CB 4.4Å; D476-Q480 WeakPolarHBondContact O-CG 3.3Å; D476-Q480 PolarHBondContact O-N 2.86Å; D476-Q480 PolarHBondContact OD1-NE2 3.31Å; C477-Q480 PolarHBondContact O-N 3.03Å; Q480-R483 PolarHBondContact O-N 2.97Å; Q480-Q484 WeakPolarHBondContact O-CG 3.33Å; Q480-Q484 PolarHBondContact O-N 2.88Å; Q480-L564 HydrophobicContact CB-CD2 4.16Å; Q480-L564 HydrophobicContact CG-CD2 4.09Å; Q480-M565 PolarHBondContact NE2-O 3.42Å
481	L	98.5	Very high	97.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-66.9	-44.3	175.1	-64.3	-178.2	0	0	0	112.1	L387 L421 L425 C477 V478 H479 R483 Q484 F485 F489 P557	L387-L481 HydrophobicContact CD2-CD2 3.91Å; L387-L481 HydrophobicContact CD2-CG 4.19Å; L421-L481 HydrophobicContact CD2-CD1 4.03Å; L425-L481 HydrophobicContact CD2-CD1 3.69Å; L425-L481 HydrophobicContact CD2-CD2 3.77Å; L425-L481 HydrophobicContact CD2-CG 4.38Å; L425-L481 HydrophobicContact CG-CD1 4.18Å; C477-L481 WeakPolarHBondContact O-CG 3.48Å; C477-L481 PolarHBondContact O-N 2.9Å; V478-L481 WeakPolarHBondContact O-CB 3.45Å; V478-L481 PolarHBondContact O-N 3.05Å; V478-L481 VanDerWaalsContact O-N 3.16Å; H479-L481 VanDerWaalsContact C-N 3.31Å; H479-L481 PolarHBondContact O-N 2.64Å; L481-R483 PolarHBondContact O-N 3.05Å; L481-Q484 PolarHBondContact O-N 3.45Å; L481-Q484 VanDerWaalsContact O-N 3.15Å; L481-F485 HydrophobicContact CD2-CE2 4.4Å; L481-F485 WeakPolarHBondContact O-CD2 3.31Å; L481-F485 PolarHBondContact O-N 3.14Å; L481-F489 HydrophobicContact CB-CE2 4.01Å; L481-F489 HydrophobicContact CB-CZ 3.71Å; L481-F489 HydrophobicContact CD1-CZ 4.44Å; L481-P557 HydrophobicContact CD2-CB 3.56Å; L481-P557 HydrophobicContact CD2-CG 3.77Å
482	Q	96.4	Very high	97.6	Very high	22 Å²	22	18.3 Å²	18.3	10%	0.103	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-37.6	176.4	-170.1	-168.5	-44.4	0	0	111.3	V478 H479 F485 P486 F489 E493 L496	V478-Q482 PolarHBondContact O-N 3.37Å; H479-Q482 PolarHBondContact O-N 2.99Å; Q482-F485 CarbonylContact O-C 3.42Å; Q482-P486 VanDerWaalsContact O-CA 3.3Å; Q482-P486 WeakPolarHBondContact O-CA 3.2Å; Q482-F489 HydrophobicContact CB-CD2 4.23Å; Q482-F489 HydrophobicContact CG-CD2 4.4Å; Q482-E493 VanDerWaalsContact NE2-N 3.13Å; Q482-L496 VanDerWaalsContact OE1-CD1 3.3Å
483	R	95.8	Very high	97.4	Very high	113 Å²	113	20.2 Å²	20.2	43%	0.426	10%	0.101	S	C	.	.	H	α-helix	trans	-72	-33.3	175.8	-71	-173.6	66.3	-101.5	-4.3	114	H479 Q480 L481 M565	H479-R483 WeakPolarHBondContact NE2-CD 3.34Å; H479-R483 WeakPolarHBondContact O-CG 3.02Å; H479-R483 PolarHBondContact O-N 2.81Å; Q480-R483 PolarHBondContact O-N 2.97Å; L481-R483 PolarHBondContact O-N 3.05Å; R483-M565 PolarHBondContact NH2-SD 2.83Å
484	Q	96.8	Very high	97.2	Very high	49 Å²	49	20.2 Å²	20.2	23%	0.229	10%	0.103	C	C	.	.	H	α-helix	trans	-79.1	-27	175.2	-68.9	-174.2	18.6	0	0	112.6	Q480 L481 V558	Q480-Q484 WeakPolarHBondContact O-CG 3.33Å; Q480-Q484 PolarHBondContact O-N 2.88Å; L481-Q484 PolarHBondContact O-N 3.45Å; L481-Q484 VanDerWaalsContact O-N 3.15Å; Q484-V558 PolarHBondContact NE2-O 3.18Å; Q484-V558 VanDerWaalsContact NE2-O 3.08Å
485	F	97.1	Very high	97.1	Very high	30 Å²	30	20.2 Å²	20.2	13%	0.132	10%	0.103	C	C	.	.			trans	-129.8	65.8	-176.5	-55.4	-77.1	0	0	0	111.8	L481 Q482 C487 S488 F489 L555 P557	L481-F485 HydrophobicContact CD2-CE2 4.4Å; L481-F485 WeakPolarHBondContact O-CD2 3.31Å; L481-F485 PolarHBondContact O-N 3.14Å; Q482-F485 CarbonylContact O-C 3.42Å; F485-C487 PolarHBondContact O-N 3.35Å; F485-S488 WeakPolarHBondContact O-CB 3.5Å; F485-S488 PolarHBondContact O-N 3.27Å; F485-F489 HydrophobicContact CB-CE2 4.25Å; F485-L555 HydrophobicContact CB-CD1 4.33Å; F485-L555 HydrophobicContact CD1-CD2 3.91Å; F485-L555 HydrophobicContact CD2-CB 4.34Å; F485-L555 HydrophobicContact CD2-CD1 4.02Å; F485-L555 HydrophobicContact CE1-CB 4.41Å; F485-L555 HydrophobicContact CE1-CD2 4.19Å; F485-L555 HydrophobicContact CE2-CB 4.04Å; F485-L555 HydrophobicContact CG-CD1 4.11Å; F485-L555 HydrophobicContact CG-CD2 4.14Å; F485-L555 HydrophobicContact CZ-CB 4.08Å; F485-P557 HydrophobicContact CE2-CB 4.09Å
486	P	94.7	Very high	97.1	Very high	62 Å²	62	20.2 Å²	20.2	40%	0.403	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.7	-168	25	-35.9	0	0	0	115.3	Q482 N544 L546	Q482-P486 VanDerWaalsContact O-CA 3.3Å; Q482-P486 WeakPolarHBondContact O-CA 3.2Å; P486-N544 PolarHBondContact O-ND2 2.9Å; P486-L546 HydrophobicContact CB-CD1 4.37Å
487	C	96	Very high	96.9	Very high	57 Å²	57	20.5 Å²	20.5	39%	0.385	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.6	177.6	-52.5	0	0	0	0	113.6	F485 L546 Y547 S548	F485-C487 PolarHBondContact O-N 3.35Å; C487-L546 VanDerWaalsContact CA-O 3.29Å; C487-L546 WeakPolarHBondContact CA-O 3.39Å; C487-L546 VanDerWaalsContact CB-O 3.28Å; C487-L546 WeakPolarHBondContact CB-O 3.22Å; C487-Y547 WeakPolarHBondContact O-CA 3.08Å; C487-S548 PolarHBondContact O-N 3.18Å
488	S	97.8	Very high	96.7	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.063	11%	0.105	C	C	.	.	S	Bend	trans	-98.3	-5.3	-166.8	-62.8	0	0	0	0	115.1	R431 F485	R431-S488 VanDerWaalsContact CB-O 3.26Å; R431-S488 WeakPolarHBondContact CB-O 3.09Å; R431-S488 WeakPolarHBondContact CD-O 3.41Å; R431-S488 PolarHBondContact NH1-O 3.45Å; F485-S488 WeakPolarHBondContact O-CB 3.5Å; F485-S488 PolarHBondContact O-N 3.27Å
489	F	97.9	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.			trans	-125.1	136.2	-178.5	-63.2	-91.6	0	0	0	110.8	L424 R431 L481 Q482 F485 F491 N544 Y547 L555	L424-F489 HydrophobicContact CD2-CE1 4.34Å; R431-F489 HydrophobicContact CB-CD1 3.76Å; R431-F489 HydrophobicContact CB-CE1 4.13Å; R431-F489 HydrophobicContact CB-CG 4.38Å; R431-F489 HydrophobicContact CG-CD1 3.77Å; R431-F489 HydrophobicContact CG-CE1 3.58Å; R431-F489 HydrophobicContact CG-CZ 4.27Å; R431-F489 WeakPolarHBondContact O-CA 3.44Å; L481-F489 HydrophobicContact CB-CE2 4.01Å; L481-F489 HydrophobicContact CB-CZ 3.71Å; L481-F489 HydrophobicContact CD1-CZ 4.44Å; Q482-F489 HydrophobicContact CB-CD2 4.23Å; Q482-F489 HydrophobicContact CG-CD2 4.4Å; F485-F489 HydrophobicContact CB-CE2 4.25Å; F489-F491 HydrophobicContact CB-CE2 4.34Å; F489-F491 HydrophobicContact CB-CZ 4.32Å; F489-F491 HydrophobicContact CD1-CE1 4.03Å; F489-F491 HydrophobicContact CD1-CE2 4.02Å; F489-F491 AromaticContact CD1-CZ 3.46Å; F489-F491 HydrophobicContact CD1-CZ 3.46Å; F489-F491 VanDerWaalsContact CD1-CZ 3.46Å; F489-F491 HydrophobicContact CE1-CZ 4.19Å; F489-F491 HydrophobicContact CG-CE2 4.47Å; F489-F491 HydrophobicContact CG-CZ 4.28Å; F489-N544 WeakPolarHBondContact O-CB 3.36Å; F489-N544 PolarHBondContact O-ND2 3.45Å; F489-Y547 WeakPolarHBondContact O-CB 3.19Å; F489-Y547 WeakPolarHBondContact O-CD2 3.37Å; F489-L555 HydrophobicContact CE2-CD1 4.26Å; F489-L555 HydrophobicContact CZ-CD1 4.25Å
490	E	97.6	Very high	96.6	Very high	24 Å²	24	20.4 Å²	20.4	11%	0.112	10%	0.104	C	C	.	.	S	Bend	trans	-81.6	-28.7	-177.9	-172.3	175	-134.5	0	0	113.4	R431 T432 I433 R543 N544 Y547	R431-E490 PolarHBondContact O-N 3.4Å; T432-E490 WeakPolarHBondContact CA-OE2 3.23Å; T432-E490 WeakPolarHBondContact CB-OE2 3.47Å; I433-E490 HydrophobicContact CD1-CG 4.19Å; I433-E490 HydrophobicContact CG1-CB 4.32Å; I433-E490 HydrophobicContact CG1-CG 4.09Å; I433-E490 PolarHBondContact N-OE2 3.42Å; E490-R543 HydrophobicContact CG-CG 4.39Å; E490-R543 CarbonylContact O-C 3.52Å; E490-R543 WeakPolarHBondContact O-CA 3.5Å; E490-R543 IonicContact OE1-CZ 2.92Å; E490-R543 IonicContact OE1-NH1 3.24Å; E490-R543 PolarHBondContact OE1-NH1 2.89Å; E490-R543 IonicContact OE1-NH2 3.71Å; E490-R543 PolarHBondContact OE1-NH2 2.76Å; E490-N544 PolarHBondContact O-N 3.17Å; E490-Y547 VanDerWaalsContact CA-CG 3.49Å; E490-Y547 HydrophobicContact CB-CD1 3.63Å; E490-Y547 HydrophobicContact CB-CD2 4.12Å; E490-Y547 HydrophobicContact CB-CE1 3.73Å; E490-Y547 HydrophobicContact CB-CE2 4.23Å; E490-Y547 HydrophobicContact CB-CG 3.83Å; E490-Y547 HydrophobicContact CG-CD1 3.6Å; E490-Y547 HydrophobicContact CG-CE1 3.84Å; E490-Y547 HydrophobicContact CG-CG 4.19Å
491	F	97.3	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-83	154.3	170.4	52.1	-93.3	0	0	0	111.3	I433 F436 V478 F489 F495 L496 L542	I433-F491 HydrophobicContact CG1-CB 4.13Å; F436-F491 HydrophobicContact CB-CD1 4.14Å; F436-F491 HydrophobicContact CB-CE1 3.68Å; F436-F491 HydrophobicContact CB-CZ 4.5Å; F436-F491 HydrophobicContact CD2-CD1 4.45Å; F436-F491 AromaticContact CD2-CE1 3.41Å; F436-F491 HydrophobicContact CD2-CE1 3.41Å; F436-F491 VanDerWaalsContact CD2-CE1 3.41Å; F436-F491 HydrophobicContact CD2-CE2 4.42Å; F436-F491 AromaticContact CD2-CZ 3.37Å; F436-F491 HydrophobicContact CD2-CZ 3.37Å; F436-F491 HydrophobicContact CE2-CE1 4.17Å; F436-F491 HydrophobicContact CE2-CE2 4.41Å; F436-F491 AromaticContact CE2-CZ 3.65Å; F436-F491 HydrophobicContact CE2-CZ 3.65Å; F436-F491 HydrophobicContact CG-CD1 4.29Å; F436-F491 AromaticContact CG-CE1 3.63Å; F436-F491 HydrophobicContact CG-CE1 3.63Å; F436-F491 AromaticContact CG-CZ 3.97Å; F436-F491 HydrophobicContact CG-CZ 3.97Å; F436-F491 HydrophobicContact CZ-CZ 4.44Å; V478-F491 HydrophobicContact CG1-CE2 3.99Å; V478-F491 HydrophobicContact CG1-CZ 4.09Å; F489-F491 HydrophobicContact CB-CE2 4.34Å; F489-F491 HydrophobicContact CB-CZ 4.32Å; F489-F491 HydrophobicContact CD1-CE1 4.03Å; F489-F491 HydrophobicContact CD1-CE2 4.02Å; F489-F491 AromaticContact CD1-CZ 3.46Å; F489-F491 HydrophobicContact CD1-CZ 3.46Å; F489-F491 VanDerWaalsContact CD1-CZ 3.46Å; F489-F491 HydrophobicContact CE1-CZ 4.19Å; F489-F491 HydrophobicContact CG-CE2 4.47Å; F489-F491 HydrophobicContact CG-CZ 4.28Å; F491-F495 HydrophobicContact CB-CB 3.78Å; F491-F495 HydrophobicContact CB-CD1 3.73Å; F491-F495 HydrophobicContact CB-CD2 3.96Å; F491-F495 HydrophobicContact CB-CE1 4.26Å; F491-F495 HydrophobicContact CB-CE2 4.44Å; F491-F495 HydrophobicContact CB-CG 3.57Å; F491-F495 HydrophobicContact CD1-CE1 4.42Å; F491-F495 AromaticContact CD2-CD1 3.98Å; F491-F495 HydrophobicContact CD2-CD1 3.98Å; F491-F495 HydrophobicContact CD2-CE1 4.49Å; F491-F495 AromaticContact CG-CD1 3.85Å; F491-F495 HydrophobicContact CG-CD1 3.85Å; F491-F495 HydrophobicContact CG-CE1 4.15Å; F491-F495 HydrophobicContact CG-CG 4.23Å; F491-L496 HydrophobicContact CD2-CD2 4.16Å; F491-L496 HydrophobicContact CD2-CG 4.14Å; F491-L496 HydrophobicContact CE2-CD1 4.24Å; F491-L496 HydrophobicContact CE2-CD2 3.84Å; F491-L496 HydrophobicContact CE2-CG 4.12Å; F491-L542 WeakPolarHBondContact CA-O 3.33Å
492	N	95.4	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.			trans	-106.9	-175.9	176	67.7	30.5	0	0	0	112.2	A494 F495 T541 L542 R543 N544 Q1043	N492-A494 VanDerWaalsContact C-N 3.28Å; N492-A494 PolarHBondContact O-N 3.02Å; N492-A494 VanDerWaalsContact OD1-CB 3.25Å; N492-A494 WeakPolarHBondContact OD1-CB 3.44Å; N492-A494 PolarHBondContact OD1-N 2.71Å; N492-F495 WeakPolarHBondContact O-CB 3.4Å; N492-F495 PolarHBondContact O-N 2.96Å; N492-F495 PolarHBondContact OD1-N 3.04Å; N492-T541 PolarHBondContact ND2-O 2.74Å; N492-L542 PolarHBondContact N-O 2.84Å; N492-L542 PolarHBondContact ND2-O 3.03Å; N492-L542 PolarHBondContact OD1-O 3.21Å; N492-R543 PolarHBondContact ND2-O 3.29Å; N492-N544 HydrophobicContact CB-CB 4.18Å; N492-Q1043 HydrophobicContact CB-CG 3.91Å
493	E	95.1	Very high	96.5	Very high	40 Å²	40	20.5 Å²	20.5	19%	0.187	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-34.7	-176.6	-176.7	172.4	-167.8	0	0	112.5	Q482 F495 L496 V497 W567 A569	Q482-E493 VanDerWaalsContact NE2-N 3.13Å; E493-F495 PolarHBondContact O-N 2.92Å; E493-L496 PolarHBondContact O-N 3.08Å; E493-L496 VanDerWaalsContact O-N 3.07Å; E493-V497 HydrophobicContact CG-CG2 4.06Å; E493-V497 WeakPolarHBondContact O-CG2 3.33Å; E493-V497 PolarHBondContact O-N 3.39Å; E493-W567 VanDerWaalsContact OE1-CD1 3.24Å; E493-W567 PolarHBondContact OE1-NE1 3.27Å; E493-A569 WeakPolarHBondContact OE1-CB 3.32Å
494	A	94.1	Very high	96.6	Very high	8 Å²	8	15.5 Å²	15.5	7%	0.066	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-34	179.2	0	0	0	0	0	112.6	N492 K498 L542	N492-A494 VanDerWaalsContact C-N 3.28Å; N492-A494 PolarHBondContact O-N 3.02Å; N492-A494 VanDerWaalsContact OD1-CB 3.25Å; N492-A494 WeakPolarHBondContact OD1-CB 3.44Å; N492-A494 PolarHBondContact OD1-N 2.71Å; A494-K498 WeakPolarHBondContact O-CB 3.48Å; A494-K498 VanDerWaalsContact O-CG 3.26Å; A494-K498 WeakPolarHBondContact O-CG 3.28Å; A494-K498 PolarHBondContact O-N 3.05Å; A494-L542 HydrophobicContact CB-CD2 4.05Å
495	F	96.7	Very high	96.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-47.8	173.8	179.2	-84.4	0	0	0	111.4	I433 F436 F491 N492 E493 K498 L499 L535 L542	I433-F495 HydrophobicContact CG2-CE2 3.98Å; F436-F495 AromaticContact CD1-CE1 3.65Å; F436-F495 HydrophobicContact CD1-CE1 3.65Å; F436-F495 HydrophobicContact CD1-CZ 4.1Å; F436-F495 AromaticContact CE1-CE1 3.99Å; F436-F495 HydrophobicContact CE1-CE1 3.99Å; F436-F495 HydrophobicContact CG-CE1 4.38Å; F491-F495 HydrophobicContact CB-CB 3.78Å; F491-F495 HydrophobicContact CB-CD1 3.73Å; F491-F495 HydrophobicContact CB-CD2 3.96Å; F491-F495 HydrophobicContact CB-CE1 4.26Å; F491-F495 HydrophobicContact CB-CE2 4.44Å; F491-F495 HydrophobicContact CB-CG 3.57Å; F491-F495 HydrophobicContact CD1-CE1 4.42Å; F491-F495 AromaticContact CD2-CD1 3.98Å; F491-F495 HydrophobicContact CD2-CD1 3.98Å; F491-F495 HydrophobicContact CD2-CE1 4.49Å; F491-F495 AromaticContact CG-CD1 3.85Å; F491-F495 HydrophobicContact CG-CD1 3.85Å; F491-F495 HydrophobicContact CG-CE1 4.15Å; F491-F495 HydrophobicContact CG-CG 4.23Å; N492-F495 WeakPolarHBondContact O-CB 3.4Å; N492-F495 PolarHBondContact O-N 2.96Å; N492-F495 PolarHBondContact OD1-N 3.04Å; E493-F495 PolarHBondContact O-N 2.92Å; F495-K498 PolarHBondContact O-N 2.79Å; F495-L499 HydrophobicContact CE1-CD2 4.43Å; F495-L499 WeakPolarHBondContact O-CB 3.24Å; F495-L499 PolarHBondContact O-N 3.23Å; F495-L535 HydrophobicContact CD2-CB 4.18Å; F495-L535 HydrophobicContact CD2-CD2 4.14Å; F495-L535 HydrophobicContact CE2-CB 3.74Å; F495-L535 HydrophobicContact CE2-CD1 4.43Å; F495-L535 HydrophobicContact CE2-CD2 4.48Å; F495-L535 HydrophobicContact CE2-CG 4.44Å; F495-L535 HydrophobicContact CZ-CB 4.44Å; F495-L542 HydrophobicContact CB-CB 4.25Å; F495-L542 HydrophobicContact CD2-CB 4.3Å; F495-L542 HydrophobicContact CD2-CD1 4.3Å
496	L	97.6	Very high	96.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67	-40.8	179.3	-64.2	178.3	0	0	0	111.5	F436 L475 V478 H479 Q482 F491 E493 L499 V500 W567	F436-L496 HydrophobicContact CE1-CD2 4.45Å; F436-L496 HydrophobicContact CZ-CD2 4.1Å; L475-L496 HydrophobicContact CD2-CD2 4.14Å; V478-L496 HydrophobicContact CG1-CD1 4.08Å; V478-L496 HydrophobicContact CG1-CD2 4Å; H479-L496 HydrophobicContact CB-CD1 4.07Å; Q482-L496 VanDerWaalsContact OE1-CD1 3.3Å; F491-L496 HydrophobicContact CD2-CD2 4.16Å; F491-L496 HydrophobicContact CD2-CG 4.14Å; F491-L496 HydrophobicContact CE2-CD1 4.24Å; F491-L496 HydrophobicContact CE2-CD2 3.84Å; F491-L496 HydrophobicContact CE2-CG 4.12Å; E493-L496 PolarHBondContact O-N 3.08Å; E493-L496 VanDerWaalsContact O-N 3.07Å; L496-L499 PolarHBondContact O-N 3.41Å; L496-V500 WeakPolarHBondContact O-CG2 3.38Å; L496-V500 PolarHBondContact O-N 3.2Å; L496-W567 HydrophobicContact CB-CH2 3.78Å; L496-W567 HydrophobicContact CB-CZ2 3.71Å
497	V	95.6	Very high	96.6	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.03	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-46.1	175.8	172.9	0	0	0	0	111.3	E493 L499 V500 Q501 W567 A569 V570 H1038	E493-V497 HydrophobicContact CG-CG2 4.06Å; E493-V497 WeakPolarHBondContact O-CG2 3.33Å; E493-V497 PolarHBondContact O-N 3.39Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 2.96Å; V497-V500 PolarHBondContact O-N 3.26Å; V497-Q501 WeakPolarHBondContact O-CG 3.31Å; V497-Q501 PolarHBondContact O-N 3.26Å; V497-W567 HydrophobicContact CG2-CZ2 4.01Å; V497-A569 HydrophobicContact CG2-CB 4.09Å; V497-V570 HydrophobicContact CG2-CG2 4.07Å; V497-H1038 HydrophobicContact CG1-CB 4.18Å
498	K	95.6	Very high	96.6	Very high	5 Å²	5	7.1 Å²	7.1	2%	0.022	4%	0.037	C	C	.	.	H	α-helix	trans	-61.4	-39.5	174.3	-74.1	-71.6	-172.3	178.6	0	112	A494 F495 Q501 H502 L535 D1031 D1033	A494-K498 WeakPolarHBondContact O-CB 3.48Å; A494-K498 VanDerWaalsContact O-CG 3.26Å; A494-K498 WeakPolarHBondContact O-CG 3.28Å; A494-K498 PolarHBondContact O-N 3.05Å; F495-K498 PolarHBondContact O-N 2.79Å; K498-Q501 PolarHBondContact O-N 3.27Å; K498-H502 WeakPolarHBondContact O-CB 3.48Å; K498-H502 PolarHBondContact O-CD2 3.33Å; K498-H502 PolarHBondContact O-N 3.09Å; K498-L535 HydrophobicContact CB-CD2 3.81Å; K498-D1031 WeakPolarHBondContact CE-OD2 3.43Å; K498-D1031 IonicContact NZ-OD2 3.39Å; K498-D1031 PolarHBondContact NZ-OD2 3.21Å; K498-D1033 WeakPolarHBondContact CD-OD2 3.19Å; K498-D1033 IonicContact NZ-OD1 2.71Å; K498-D1033 PolarHBondContact NZ-OD1 3Å; K498-D1033 VanDerWaalsContact NZ-OD1 3.07Å; K498-D1033 IonicContact NZ-OD2 3.68Å; K498-D1033 PolarHBondContact NZ-OD2 3.13Å
499	L	97.6	Very high	96.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.2	-40.8	177.9	-170.2	59.3	0	0	0	112.2	F436 F471 L475 F495 L496 V497 H502 T503 F511 W532 L535	F436-L499 HydrophobicContact CE1-CD2 3.67Å; F471-L499 HydrophobicContact CE1-CG 4.33Å; F471-L499 HydrophobicContact CZ-CD2 4.35Å; L475-L499 HydrophobicContact CD1-CB 4.48Å; L475-L499 HydrophobicContact CD1-CD2 4.3Å; L475-L499 HydrophobicContact CD1-CG 4.15Å; L475-L499 HydrophobicContact CD2-CD2 3.79Å; F495-L499 HydrophobicContact CE1-CD2 4.43Å; F495-L499 WeakPolarHBondContact O-CB 3.24Å; F495-L499 PolarHBondContact O-N 3.23Å; L496-L499 PolarHBondContact O-N 3.41Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 2.96Å; L499-H502 PolarHBondContact O-N 2.72Å; L499-T503 PolarHBondContact O-N 2.85Å; L499-T503 PolarHBondContact O-OG1 2.8Å; L499-F511 HydrophobicContact CD1-CE2 3.81Å; L499-F511 HydrophobicContact CD1-CZ 3.71Å; L499-W532 HydrophobicContact CD1-CH2 3.87Å; L499-W532 HydrophobicContact CD1-CZ3 3.76Å; L499-L535 HydrophobicContact CB-CD1 4.23Å; L499-L535 HydrophobicContact CD1-CD1 3.82Å
500	V	97.4	Very high	96.5	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-59.5	-48.8	170.7	169.5	0	0	0	0	111	D93 L472 L475 L496 V497 H502 T503 Y504 W567 V570	D93-V500 HydrophobicContact CB-CG1 4.38Å; L472-V500 HydrophobicContact CD1-CB 4.42Å; L472-V500 HydrophobicContact CD1-CG1 3.78Å; L472-V500 HydrophobicContact CD1-CG2 3.69Å; L475-V500 HydrophobicContact CB-CG2 4.19Å; L475-V500 HydrophobicContact CD1-CG2 3.58Å; L496-V500 WeakPolarHBondContact O-CG2 3.38Å; L496-V500 PolarHBondContact O-N 3.2Å; V497-V500 PolarHBondContact O-N 3.26Å; V500-H502 VanDerWaalsContact C-N 3.34Å; V500-H502 PolarHBondContact O-N 3.3Å; V500-T503 WeakPolarHBondContact O-CB 3.49Å; V500-T503 PolarHBondContact O-N 2.99Å; V500-Y504 WeakPolarHBondContact O-CD2 3.33Å; V500-W567 HydrophobicContact CG2-CH2 3.71Å; V500-W567 HydrophobicContact CG2-CZ3 3.83Å; V500-V570 HydrophobicContact CG1-CG1 3.91Å
501	Q	95.9	Very high	96.5	Very high	21 Å²	21	6.3 Å²	6.3	10%	0.098	3%	0.033	C	C	.	.	H	α-helix	trans	-59.4	-44.7	178.7	-71.8	174.5	-46.5	0	0	111.5	V497 K498 Y504 S505 L1035	V497-Q501 WeakPolarHBondContact O-CG 3.31Å; V497-Q501 PolarHBondContact O-N 3.26Å; K498-Q501 PolarHBondContact O-N 3.27Å; Q501-Y504 PolarHBondContact O-N 3.14Å; Q501-S505 WeakPolarHBondContact O-CB 3.5Å; Q501-S505 PolarHBondContact O-N 2.73Å; Q501-L1035 HydrophobicContact CB-CD1 3.95Å; Q501-L1035 HydrophobicContact CG-CD1 4.44Å
502	H	97.3	Very high	96.5	Very high	3 Å²	3	6.4 Å²	6.4	1%	0.014	3%	0.033	C	C	.	.	H	α-helix	trans	-78.8	-18.5	-176.4	-68.1	-50.8	0	0	0	115.4	K498 L499 V500 Y504 S505 F508 V531 L534 D1033	K498-H502 WeakPolarHBondContact O-CB 3.48Å; K498-H502 PolarHBondContact O-CD2 3.33Å; K498-H502 PolarHBondContact O-N 3.09Å; L499-H502 PolarHBondContact O-N 2.72Å; V500-H502 VanDerWaalsContact C-N 3.34Å; V500-H502 PolarHBondContact O-N 3.3Å; H502-Y504 PolarHBondContact O-N 3.23Å; H502-S505 WeakPolarHBondContact CA-OG 3.45Å; H502-S505 PolarHBondContact ND1-OG 2.68Å; H502-S505 PolarHBondContact O-OG 3.27Å; H502-F508 HydrophobicContact CB-CD2 4.13Å; H502-F508 AromaticContact CD2-CE2 3.94Å; H502-F508 AromaticContact CE1-CE2 3.79Å; H502-F508 AromaticContact CG-CD2 3.81Å; H502-F508 AromaticContact CG-CE2 3.8Å; H502-F508 AromaticContact ND1-CD2 3.8Å; H502-F508 AromaticContact ND1-CE2 3.68Å; H502-F508 AromaticContact NE2-CE2 3.93Å; H502-V531 HydrophobicContact CB-CG2 3.62Å; H502-L534 WeakPolarHBondContact NE2-CD2 3.49Å; H502-D1033 IonicContact CE1-OD2 3.89Å; H502-D1033 PolarHBondContact CE1-OD2 2.6Å; H502-D1033 IonicContact NE2-OD2 3.52Å; H502-D1033 PolarHBondContact NE2-OD2 2.79Å
503	T	97.6	Very high	96.5	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.018	4%	0.036	C	C	.	.	H	α-helix	trans	-53.9	-36.2	166	-58.2	0	0	0	0	111.5	F451 F471 L499 V500	F451-T503 HydrophobicContact CD1-CG2 4.35Å; F451-T503 HydrophobicContact CE1-CG2 4.3Å; F471-T503 HydrophobicContact CD1-CG2 3.92Å; F471-T503 WeakPolarHBondContact CD1-OG1 3.15Å; L499-T503 PolarHBondContact O-N 2.85Å; L499-T503 PolarHBondContact O-OG1 2.8Å; V500-T503 WeakPolarHBondContact O-CB 3.49Å; V500-T503 PolarHBondContact O-N 2.99Å
504	Y	96.5	Very high	96.7	Very high	8 Å²	8	6 Å²	6	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-109.1	-14.5	-177.9	-55.9	-69.9	0	0	0	114.6	Q74 L75 K92 C455 V500 Q501 H502 C506	Q74-Y504 CarbonylContact C-O 3.6Å; Q74-Y504 VanDerWaalsContact CB-O 3.27Å; Q74-Y504 WeakPolarHBondContact CB-O 3.36Å; L75-Y504 HydrophobicContact CD1-CD2 3.71Å; L75-Y504 HydrophobicContact CD1-CG 3.87Å; K92-Y504 HydrophobicContact CB-CD1 3.95Å; K92-Y504 HydrophobicContact CB-CD2 4.34Å; K92-Y504 HydrophobicContact CB-CE1 4Å; K92-Y504 HydrophobicContact CB-CE2 4.38Å; K92-Y504 HydrophobicContact CB-CG 4.14Å; K92-Y504 HydrophobicContact CD-CD1 3.65Å; K92-Y504 HydrophobicContact CD-CE1 4.15Å; K92-Y504 HydrophobicContact CD-CG 4.28Å; K92-Y504 HydrophobicContact CG-CD1 4.42Å; C455-Y504 HydrophobicContact CB-CD1 3.84Å; C455-Y504 HydrophobicContact CB-CE1 3.82Å; V500-Y504 WeakPolarHBondContact O-CD2 3.33Å; Q501-Y504 PolarHBondContact O-N 3.14Å; H502-Y504 PolarHBondContact O-N 3.23Å; Y504-C506 VanDerWaalsContact C-N 3.3Å; Y504-C506 PolarHBondContact O-N 3.38Å
505	S	96	Very high	96.8	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.014	3%	0.031	C	C	.	.	H	α-helix	trans	-65.3	-28.8	-171.3	69.5	0	0	0	0	115.2	Q501 H502 L507	Q501-S505 WeakPolarHBondContact O-CB 3.5Å; Q501-S505 PolarHBondContact O-N 2.73Å; H502-S505 WeakPolarHBondContact CA-OG 3.45Å; H502-S505 PolarHBondContact ND1-OG 2.68Å; H502-S505 PolarHBondContact O-OG 3.27Å; S505-L507 PolarHBondContact O-N 2.86Å; S505-L507 VanDerWaalsContact O-N 3.16Å; S505-L507 PolarHBondContact OG-N 2.78Å; S505-L507 VanDerWaalsContact OG-N 3.16Å
506	C	96.6	Very high	96.8	Very high	5 Å²	5	6.3 Å²	6.3	3%	0.034	4%	0.037	C	C	.	.			trans	50.3	27.4	-165.6	-58.1	0	0	0	0	114.5	Q74 L127 S129 Y504	Q74-C506 HydrophobicContact CB-CB 4.17Å; Q74-C506 HydrophobicContact CG-CB 4.08Å; L127-C506 HydrophobicContact CB-CB 4.4Å; L127-C506 HydrophobicContact CD2-CB 4.19Å; S129-C506 WeakPolarHBondContact CA-O 3.29Å; S129-C506 VanDerWaalsContact CB-O 3.32Å; S129-C506 WeakPolarHBondContact CB-O 3.1Å; S129-C506 PolarHBondContact N-O 3.13Å; Y504-C506 VanDerWaalsContact C-N 3.3Å; Y504-C506 PolarHBondContact O-N 3.38Å
507	L	96.6	Very high	96.8	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.048	C	C	.	.	S	Bend	trans	-74.5	-33.5	167	179.6	61.5	0	0	0	111.8	L37 Y58 F128 S129 F132 S505 D1033	L37-L507 HydrophobicContact CD1-CD1 4.15Å; Y58-L507 HydrophobicContact CE2-CB 3.9Å; Y58-L507 HydrophobicContact CE2-CD1 4.4Å; F128-L507 HydrophobicContact CD1-CD1 3.74Å; F128-L507 HydrophobicContact CE1-CD1 3.54Å; S129-L507 WeakPolarHBondContact CA-O 3.46Å; F132-L507 HydrophobicContact CB-CD1 4.27Å; F132-L507 HydrophobicContact CD1-CD1 3.99Å; F132-L507 HydrophobicContact CD2-CD1 3.7Å; F132-L507 HydrophobicContact CE1-CD1 4.26Å; F132-L507 HydrophobicContact CE2-CD1 3.98Å; F132-L507 HydrophobicContact CG-CD1 3.72Å; F132-L507 HydrophobicContact CZ-CD1 4.25Å; S505-L507 PolarHBondContact O-N 2.86Å; S505-L507 VanDerWaalsContact O-N 3.16Å; S505-L507 PolarHBondContact OG-N 2.78Å; S505-L507 VanDerWaalsContact OG-N 3.16Å; L507-D1033 HydrophobicContact CD2-CB 3.91Å
508	F	96.6	Very high	96.8	Very high	14 Å²	14	12 Å²	12	6%	0.061	6%	0.062	C	C	.	.	S	Bend	trans	-118.9	150.6	-177.8	-58.9	-74.8	0	0	0	110.5	F132 H502 C529 V531 L534	F132-F508 HydrophobicContact CE1-CE1 4.48Å; H502-F508 HydrophobicContact CB-CD2 4.13Å; H502-F508 AromaticContact CD2-CE2 3.94Å; H502-F508 AromaticContact CE1-CE2 3.79Å; H502-F508 AromaticContact CG-CD2 3.81Å; H502-F508 AromaticContact CG-CE2 3.8Å; H502-F508 AromaticContact ND1-CD2 3.8Å; H502-F508 AromaticContact ND1-CE2 3.68Å; H502-F508 AromaticContact NE2-CE2 3.93Å; F508-C529 CarbonylContact C-O 3.57Å; F508-C529 WeakPolarHBondContact CA-O 3.48Å; F508-C529 WeakPolarHBondContact CB-O 3.49Å; F508-C529 HydrophobicContact CD1-CB 4.05Å; F508-C529 HydrophobicContact CE1-CB 4.42Å; F508-V531 HydrophobicContact CB-CB 3.99Å; F508-V531 HydrophobicContact CD2-CB 3.79Å; F508-V531 HydrophobicContact CD2-CG2 3.68Å; F508-V531 HydrophobicContact CE2-CB 4.39Å; F508-V531 HydrophobicContact CE2-CG2 3.96Å; F508-V531 HydrophobicContact CG-CB 3.85Å; F508-V531 HydrophobicContact CG-CG2 4.27Å; F508-L534 HydrophobicContact CE2-CB 4.46Å; F508-L534 HydrophobicContact CE2-CD2 3.91Å; F508-L534 HydrophobicContact CZ-CB 3.91Å; F508-L534 HydrophobicContact CZ-CD2 3.99Å
509	G	96.1	Very high	96.9	Very high	2 Å²	2	13 Å²	13	2%	0.021	7%	0.066	C	C	.	.	S	Bend	trans	-82.4	-9	-179.8	0	0	0	0	0	115.6	F511 L512 T528 C529	G509-F511 VanDerWaalsContact C-N 3.26Å; G509-F511 PolarHBondContact O-N 3.4Å; G509-F511 VanDerWaalsContact O-N 3.15Å; G509-L512 WeakPolarHBondContact O-CB 3.46Å; G509-L512 PolarHBondContact O-N 2.82Å; G509-T528 VanDerWaalsContact CA-OG1 3.31Å; G509-T528 WeakPolarHBondContact CA-OG1 3.4Å; G509-C529 PolarHBondContact N-O 2.78Å
510	T	97.1	Very high	96.7	Very high	9 Å²	9	18 Å²	18	6%	0.055	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.1	-172.6	-52.2	0	0	0	0	113.3	L445 S530 V531 W532	L445-T510 HydrophobicContact CD1-CG2 3.68Å; L445-T510 WeakPolarHBondContact CD2-O 3.47Å; T510-S530 WeakPolarHBondContact OG1-CA 3.42Å; T510-S530 PolarHBondContact OG1-OG 3.37Å; T510-S530 VanDerWaalsContact OG1-OG 3.04Å; T510-V531 HydrophobicContact CG2-CG1 3.9Å; T510-V531 PolarHBondContact OG1-N 3.22Å; T510-W532 HydrophobicContact CG2-CZ2 4.1Å
511	F	97.8	Very high	96.7	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.018	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	15.2	-177.6	-61.7	-66.4	0	0	0	114.2	V440 L445 F451 H457 F471 L499 G509 V531 W532	V440-F511 HydrophobicContact CG1-CE1 3.83Å; V440-F511 HydrophobicContact CG1-CZ 4.08Å; L445-F511 HydrophobicContact CD1-CD1 4.36Å; L445-F511 HydrophobicContact CD1-CE1 4.12Å; L445-F511 HydrophobicContact CD2-CD1 4.06Å; F451-F511 WeakPolarHBondContact CB-O 3.34Å; F451-F511 HydrophobicContact CD1-CB 4.12Å; F451-F511 AromaticContact CD1-CD1 3.72Å; F451-F511 HydrophobicContact CD1-CD1 3.72Å; F451-F511 HydrophobicContact CD1-CG 4.28Å; F451-F511 HydrophobicContact CD2-CD1 4.3Å; F451-F511 AromaticContact CE1-CD1 3.39Å; F451-F511 HydrophobicContact CE1-CD1 3.39Å; F451-F511 AromaticContact CE1-CE1 3.89Å; F451-F511 HydrophobicContact CE1-CE1 3.89Å; F451-F511 HydrophobicContact CE1-CG 4.27Å; F451-F511 HydrophobicContact CE2-CD1 4Å; F451-F511 HydrophobicContact CE2-CE1 4.43Å; F451-F511 HydrophobicContact CG-CB 4.35Å; F451-F511 HydrophobicContact CG-CD1 4.17Å; F451-F511 AromaticContact CZ-CD1 3.55Å; F451-F511 HydrophobicContact CZ-CD1 3.55Å; F451-F511 AromaticContact CZ-CE1 3.77Å; F451-F511 HydrophobicContact CZ-CE1 3.77Å; H457-F511 PolarHBondContact CE1-O 2.96Å; H457-F511 PolarHBondContact NE2-O 3.04Å; F471-F511 AromaticContact CE1-CE1 3.84Å; F471-F511 HydrophobicContact CE1-CE1 3.84Å; F471-F511 AromaticContact CE1-CZ 3.92Å; F471-F511 HydrophobicContact CE1-CZ 3.92Å; F471-F511 HydrophobicContact CZ-CE1 4.05Å; F471-F511 HydrophobicContact CZ-CZ 4.21Å; L499-F511 HydrophobicContact CD1-CE2 3.81Å; L499-F511 HydrophobicContact CD1-CZ 3.71Å; G509-F511 VanDerWaalsContact C-N 3.26Å; G509-F511 PolarHBondContact O-N 3.4Å; G509-F511 VanDerWaalsContact O-N 3.15Å; F511-V531 HydrophobicContact CE2-CG1 4.09Å; F511-W532 HydrophobicContact CZ-CH2 4.41Å
512	L	96.7	Very high	96.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.119	C	C	.	.			trans	-80.7	158.6	177.1	-60.1	-176.4	0	0	0	112.9	L124 L127 F130 G509 R519 V524	L124-L512 HydrophobicContact CD1-CD1 4.35Å; L127-L512 HydrophobicContact CD1-CD1 4.34Å; L127-L512 HydrophobicContact CD1-CD2 3.62Å; F130-L512 HydrophobicContact CE2-CD1 3.91Å; F130-L512 HydrophobicContact CZ-CD1 4.33Å; G509-L512 WeakPolarHBondContact O-CB 3.46Å; G509-L512 PolarHBondContact O-N 2.82Å; L512-R519 WeakPolarHBondContact O-CD 3.27Å; L512-R519 WeakPolarHBondContact O-CG 3.47Å; L512-R519 PolarHBondContact O-NH1 2.79Å; L512-R519 VanDerWaalsContact O-NH1 3.13Å; L512-V524 HydrophobicContact CB-CG1 4.35Å; L512-V524 HydrophobicContact CD1-CG1 4.28Å
513	C	96.9	Very high	96.5	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	59.9	-175.5	-175.8	-49	0	0	0	0	114	A452 E518 R519	A452-C513 PolarHBondContact N-O 3.23Å; A452-C513 VanDerWaalsContact N-O 3.16Å; C513-E518 HydrophobicContact CB-CB 3.5Å; C513-E518 VanDerWaalsContact CB-CB 3.5Å; C513-E518 HydrophobicContact CB-CG 4.49Å; C513-E518 WeakPolarHBondContact CB-OE2 3.37Å; C513-R519 HydrophobicContact CB-CG 3.98Å
514	N	97.3	Very high	96.3	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.128	14%	0.14	C	C	.	.	S	Bend	trans	-109.6	-8.6	-179.5	-67.4	-47.6	0	0	0	113.9	G448 K450 F451 A452 D453 E518	G448-N514 CarbonylContact C-O 3.55Å; G448-N514 WeakPolarHBondContact CA-O 3.38Å; K450-N514 WeakPolarHBondContact CA-OD1 3.31Å; K450-N514 HydrophobicContact CB-CB 4.25Å; K450-N514 WeakPolarHBondContact CB-OD1 3.44Å; K450-N514 HydrophobicContact CG-CB 4.21Å; K450-N514 PolarHBondContact O-OD1 3.33Å; F451-N514 PolarHBondContact N-OD1 3.48Å; A452-N514 WeakPolarHBondContact CB-OD1 3.22Å; A452-N514 PolarHBondContact N-OD1 3.39Å; A452-N514 VanDerWaalsContact N-OD1 3.14Å; D453-N514 VanDerWaalsContact CG-ND2 3.28Å; D453-N514 PolarHBondContact N-OD1 2.87Å; D453-N514 PolarHBondContact OD1-ND2 2.04Å; D453-N514 PolarHBondContact OD1-OD1 3Å; D453-N514 PolarHBondContact OD2-ND2 3.1Å; N514-E518 WeakPolarHBondContact CB-OE2 3.04Å; N514-E518 PolarHBondContact N-OE2 2.91Å
515	S	97.6	Very high	96.1	Very high	3 Å²	3	34 Å²	34	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-150.6	161.9	-179.4	64.7	0	0	0	0	112.9	K517 E518 R519	S515-K517 VanDerWaalsContact C-N 3.28Å; S515-K517 PolarHBondContact O-N 3.05Å; S515-E518 WeakPolarHBondContact CB-OE1 3.33Å; S515-E518 PolarHBondContact N-OE1 3.4Å; S515-E518 PolarHBondContact O-N 2.87Å; S515-E518 VanDerWaalsContact OG-CG 3.3Å; S515-E518 WeakPolarHBondContact OG-CG 3.38Å; S515-E518 PolarHBondContact OG-N 2.8Å; S515-E518 PolarHBondContact OG-OE1 2.72Å; S515-R519 PolarHBondContact O-N 3.1Å; S515-R519 PolarHBondContact O-NH1 3.42Å
516	G	95.9	Very high	95.8	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-41.8	170.3	0	0	0	0	0	112	E518 R519 E520	G516-E518 PolarHBondContact O-N 3.22Å; G516-R519 PolarHBondContact O-N 2.77Å; G516-R519 VanDerWaalsContact O-N 3.13Å; G516-E520 PolarHBondContact O-N 3.3Å
517	K	97.4	Very high	95.6	Very high	57 Å²	57	43.2 Å²	43.2	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-49.5	175.1	-169.6	-163.1	-176	-53.3	0	112.1	F185 P189 S515 R519 E520 D521	F185-K517 HydrophobicContact CB-CB 3.95Å; F185-K517 HydrophobicContact CB-CD 3.72Å; F185-K517 HydrophobicContact CB-CG 3.68Å; F185-K517 HydrophobicContact CD1-CB 3.79Å; F185-K517 HydrophobicContact CD1-CG 4.37Å; F185-K517 HydrophobicContact CD2-CB 3.86Å; F185-K517 HydrophobicContact CD2-CG 3.66Å; F185-K517 HydrophobicContact CE1-CB 4.17Å; F185-K517 HydrophobicContact CE2-CB 4.23Å; F185-K517 HydrophobicContact CE2-CG 4.32Å; F185-K517 HydrophobicContact CG-CB 3.6Å; F185-K517 HydrophobicContact CG-CD 4.27Å; F185-K517 HydrophobicContact CG-CG 3.66Å; F185-K517 HydrophobicContact CZ-CB 4.36Å; P189-K517 HydrophobicContact CB-CD 4.14Å; S515-K517 VanDerWaalsContact C-N 3.28Å; S515-K517 PolarHBondContact O-N 3.05Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 2.77Å; K517-E520 PolarHBondContact O-N 3.05Å; K517-D521 IonicContact NZ-OD1 3.54Å; K517-D521 PolarHBondContact NZ-OD1 3.15Å; K517-D521 IonicContact NZ-OD2 2.82Å; K517-D521 PolarHBondContact NZ-OD2 2.66Å; K517-D521 WeakPolarHBondContact O-CB 3.49Å; K517-D521 PolarHBondContact O-N 3.08Å
518	E	97.2	Very high	95.5	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-31.7	-179.5	-71	154.2	-116.9	0	0	112.7	C513 N514 S515 G516 R522	C513-E518 HydrophobicContact CB-CB 3.5Å; C513-E518 VanDerWaalsContact CB-CB 3.5Å; C513-E518 HydrophobicContact CB-CG 4.49Å; C513-E518 WeakPolarHBondContact CB-OE2 3.37Å; N514-E518 WeakPolarHBondContact CB-OE2 3.04Å; N514-E518 PolarHBondContact N-OE2 2.91Å; S515-E518 WeakPolarHBondContact CB-OE1 3.33Å; S515-E518 PolarHBondContact N-OE1 3.4Å; S515-E518 PolarHBondContact O-N 2.87Å; S515-E518 VanDerWaalsContact OG-CG 3.3Å; S515-E518 WeakPolarHBondContact OG-CG 3.38Å; S515-E518 PolarHBondContact OG-N 2.8Å; S515-E518 PolarHBondContact OG-OE1 2.72Å; G516-E518 PolarHBondContact O-N 3.22Å; E518-R522 VanDerWaalsContact O-CB 3.28Å; E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 WeakPolarHBondContact O-CG 3.33Å; E518-R522 PolarHBondContact O-N 3.16Å
519	R	95.9	Very high	95.3	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.106	20%	0.2	C	C	.	.	H	α-helix	trans	-70.1	-34.4	174	-73.7	-172.3	-67	-77.4	-6	112	L445 L512 C513 S515 G516 K517 H523 V524	L445-R519 PolarHBondContact O-NH2 3.39Å; L512-R519 WeakPolarHBondContact O-CD 3.27Å; L512-R519 WeakPolarHBondContact O-CG 3.47Å; L512-R519 PolarHBondContact O-NH1 2.79Å; L512-R519 VanDerWaalsContact O-NH1 3.13Å; C513-R519 HydrophobicContact CB-CG 3.98Å; S515-R519 PolarHBondContact O-N 3.1Å; S515-R519 PolarHBondContact O-NH1 3.42Å; G516-R519 PolarHBondContact O-N 2.77Å; G516-R519 VanDerWaalsContact O-N 3.13Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 2.77Å; R519-H523 PolarHBondContact O-N 3.2Å; R519-V524 HydrophobicContact CB-CB 4.18Å; R519-V524 HydrophobicContact CB-CG2 4.27Å; R519-V524 HydrophobicContact CG-CB 4.29Å; R519-V524 HydrophobicContact CG-CG2 4.24Å; R519-V524 PolarHBondContact O-N 3.43Å
520	E	95.3	Very high	95.2	Very high	105 Å²	105	43.1 Å²	43.1	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-70	-54.6	173.2	-166.5	177.3	131.8	0	0	111.2	F185 Q193 G516 K517 R522 H523	F185-E520 VanDerWaalsContact CE2-OE2 3.27Å; F185-E520 WeakPolarHBondContact CE2-OE2 3.19Å; Q193-E520 PolarHBondContact NE2-OE2 3Å; G516-E520 PolarHBondContact O-N 3.3Å; K517-E520 PolarHBondContact O-N 3.05Å; E520-R522 PolarHBondContact O-N 3.13Å; E520-H523 PolarHBondContact O-N 3Å
521	D	96.3	Very high	95.2	Very high	88 Å²	88	42.7 Å²	42.7	47%	0.471	20%	0.2	S	C	.	.	H	α-helix	trans	-53	-31	177.8	-68.7	-24.6	0	0	0	113.1	K517	K517-D521 IonicContact NZ-OD1 3.54Å; K517-D521 PolarHBondContact NZ-OD1 3.15Å; K517-D521 IonicContact NZ-OD2 2.82Å; K517-D521 PolarHBondContact NZ-OD2 2.66Å; K517-D521 WeakPolarHBondContact O-CB 3.49Å; K517-D521 PolarHBondContact O-N 3.08Å
522	R	94.8	Very high	95	Very high	69 Å²	69	42.8 Å²	42.8	26%	0.26	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.9	-177.7	-58.9	-61.1	-66.2	-87.7	1.8	113.9	L124 E125 E459 E518 E520 V524 R527	L124-R522 HydrophobicContact CD2-CB 4.1Å; L124-R522 HydrophobicContact CD2-CG 4.42Å; E125-R522 IonicContact OE1-NH2 3.35Å; E125-R522 IonicContact OE2-NH2 2.67Å; E459-R522 VanDerWaalsContact CD-NH1 3.27Å; E459-R522 IonicContact OE1-CZ 3.26Å; E459-R522 IonicContact OE1-NH1 2.79Å; E459-R522 PolarHBondContact OE1-NH1 3.04Å; E459-R522 IonicContact OE1-NH2 3.45Å; E459-R522 PolarHBondContact OE1-NH2 3.45Å; E459-R522 IonicContact OE2-CZ 3.48Å; E459-R522 IonicContact OE2-NH1 2.78Å; E459-R522 PolarHBondContact OE2-NH1 3.42Å; E459-R522 IonicContact OE2-NH2 2.69Å; E518-R522 VanDerWaalsContact O-CB 3.28Å; E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 WeakPolarHBondContact O-CG 3.33Å; E518-R522 PolarHBondContact O-N 3.16Å; E520-R522 PolarHBondContact O-N 3.13Å; R522-V524 VanDerWaalsContact C-N 3.26Å; R522-V524 HydrophobicContact CB-CG2 4.01Å; R522-V524 PolarHBondContact O-N 2.85Å; R522-R527 PolarHBondContact O-NH1 3.1Å
523	H	94.6	Very high	94.7	Very high	102 Å²	102	43.7 Å²	43.7	47%	0.472	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	36.4	179	-64	-95.4	0	0	0	113.4	R519 E520 Q525 E526 R527	R519-H523 PolarHBondContact O-N 3.2Å; E520-H523 PolarHBondContact O-N 3Å; H523-Q525 PolarHBondContact O-N 2.8Å; H523-E526 IonicContact CE1-OE2 3.24Å; H523-E526 IonicContact CG-OE2 2.69Å; H523-E526 IonicContact ND1-OE2 2.7Å; H523-E526 PolarHBondContact ND1-OE2 3.1Å; H523-E526 PolarHBondContact O-N 2.88Å; H523-E526 VanDerWaalsContact O-N 3.16Å; H523-R527 HydrophobicContact CB-CG 4.26Å; H523-R527 WeakPolarHBondContact O-CB 3.13Å; H523-R527 WeakPolarHBondContact O-CD 3.33Å; H523-R527 VanDerWaalsContact O-CG 3.22Å; H523-R527 WeakPolarHBondContact O-CG 3.46Å; H523-R527 PolarHBondContact O-N 2.96Å
524	V	94.1	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-45.7	-170.7	176.9	0	0	0	0	111.6	L124 L512 R519 R522 E526 R527 T528	L124-V524 HydrophobicContact CD2-CG2 4.01Å; L512-V524 HydrophobicContact CB-CG1 4.35Å; L512-V524 HydrophobicContact CD1-CG1 4.28Å; R519-V524 HydrophobicContact CB-CB 4.18Å; R519-V524 HydrophobicContact CB-CG2 4.27Å; R519-V524 HydrophobicContact CG-CB 4.29Å; R519-V524 HydrophobicContact CG-CG2 4.24Å; R519-V524 PolarHBondContact O-N 3.43Å; R522-V524 VanDerWaalsContact C-N 3.26Å; R522-V524 HydrophobicContact CB-CG2 4.01Å; R522-V524 PolarHBondContact O-N 2.85Å; V524-E526 PolarHBondContact O-N 3.31Å; V524-R527 PolarHBondContact O-N 3.29Å; V524-R527 VanDerWaalsContact O-N 3.14Å; V524-T528 HydrophobicContact CG1-CG2 4.21Å; V524-T528 WeakPolarHBondContact CG1-OG1 3.29Å; V524-T528 WeakPolarHBondContact O-CB 3.47Å; V524-T528 PolarHBondContact O-N 2.88Å; V524-T528 PolarHBondContact O-OG1 2.88Å
525	Q	90.4	Very high	94.2	Very high	111 Å²	111	43.4 Å²	43.4	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-19.4	-179.8	-171.2	179.9	3.4	0	0	113.7	H523	H523-Q525 PolarHBondContact O-N 2.8Å
526	E	90.1	Very high	93.8	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	22%	0.224	S	C	.	.	H	α-helix	trans	-98.2	-10.8	-179.5	-55.9	-177.2	127	0	0	112.6	H133 H523 V524	H133-E526 PolarHBondContact CE1-O 3.39Å; H133-E526 VanDerWaalsContact CE1-O 3.23Å; H523-E526 IonicContact CE1-OE2 3.24Å; H523-E526 IonicContact CG-OE2 2.69Å; H523-E526 IonicContact ND1-OE2 2.7Å; H523-E526 PolarHBondContact ND1-OE2 3.1Å; H523-E526 PolarHBondContact O-N 2.88Å; H523-E526 VanDerWaalsContact O-N 3.16Å; V524-E526 PolarHBondContact O-N 3.31Å
527	R	92.4	Very high	93.4	Very high	85 Å²	85	50 Å²	50	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-126.5	-0.2	-169.1	-61.8	171.1	69.1	-144.5	2.2	113.5	E125 F130 H133 R522 H523 V524	E125-R527 IonicContact OE1-CZ 3.69Å; E125-R527 VanDerWaalsContact OE1-CZ 3.29Å; E125-R527 IonicContact OE1-NH1 2.61Å; E125-R527 PolarHBondContact OE1-NH1 2.92Å; E125-R527 IonicContact OE1-NH2 3.36Å; E125-R527 PolarHBondContact OE1-NH2 2.8Å; F130-R527 HydrophobicContact CD1-CB 3.87Å; F130-R527 HydrophobicContact CE1-CB 3.79Å; H133-R527 WeakPolarHBondContact CB-O 3.41Å; H133-R527 PolarHBondContact ND1-O 3.02Å; R522-R527 PolarHBondContact O-NH1 3.1Å; H523-R527 HydrophobicContact CB-CG 4.26Å; H523-R527 WeakPolarHBondContact O-CB 3.13Å; H523-R527 WeakPolarHBondContact O-CD 3.33Å; H523-R527 VanDerWaalsContact O-CG 3.22Å; H523-R527 WeakPolarHBondContact O-CG 3.46Å; H523-R527 PolarHBondContact O-N 2.96Å; V524-R527 PolarHBondContact O-N 3.29Å; V524-R527 VanDerWaalsContact O-N 3.14Å
528	T	94.3	Very high	92.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	-143.1	158.8	179.9	65.8	0	0	0	0	110.4	F130 G509 V524	F130-T528 HydrophobicContact CD1-CG2 3.86Å; F130-T528 HydrophobicContact CD2-CG2 4.06Å; F130-T528 HydrophobicContact CE1-CG2 3.68Å; F130-T528 HydrophobicContact CE2-CG2 3.84Å; F130-T528 HydrophobicContact CG-CG2 4.05Å; F130-T528 HydrophobicContact CZ-CG2 3.66Å; G509-T528 VanDerWaalsContact CA-OG1 3.31Å; G509-T528 WeakPolarHBondContact CA-OG1 3.4Å; V524-T528 HydrophobicContact CG1-CG2 4.21Å; V524-T528 WeakPolarHBondContact CG1-OG1 3.29Å; V524-T528 WeakPolarHBondContact O-CB 3.47Å; V524-T528 PolarHBondContact O-N 2.88Å; V524-T528 PolarHBondContact O-OG1 2.88Å
529	C	93.9	Very high	92.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	24%	0.244	C	C	.	.			trans	-86.5	148.9	170.4	-58.8	0	0	0	0	111	F132 C151 F508 G509	F132-C529 HydrophobicContact CD1-CB 4.32Å; F132-C529 HydrophobicContact CE1-CB 4.14Å; C151-C529 HydrophobicContact CB-CB 3.61Å; C151-C529 WeakPolarHBondContact CB-SG 3.23Å; C151-C529 CarbonylContact O-C 3.54Å; C151-C529 WeakPolarHBondContact O-CA 3.3Å; C151-C529 WeakPolarHBondContact SG-CB 3.45Å; C151-C529 CovalentContact SG-SG 2.04Å; C151-C529 PolarHBondContact SG-SG 3.29Å; F508-C529 CarbonylContact C-O 3.57Å; F508-C529 WeakPolarHBondContact CA-O 3.48Å; F508-C529 WeakPolarHBondContact CB-O 3.49Å; F508-C529 HydrophobicContact CD1-CB 4.05Å; F508-C529 HydrophobicContact CE1-CB 4.42Å; G509-C529 PolarHBondContact N-O 2.78Å
530	S	94.3	Very high	91.9	Very high	10 Å²	10	58.4 Å²	58.4	7%	0.07	28%	0.277	C	S	.	.			trans	-89.1	141.6	173.8	-176.6	0	0	0	0	112.2	C151 T510 W532 S533	C151-S530 PolarHBondContact O-N 2.79Å; T510-S530 WeakPolarHBondContact OG1-CA 3.42Å; T510-S530 PolarHBondContact OG1-OG 3.37Å; T510-S530 VanDerWaalsContact OG1-OG 3.04Å; S530-W532 PolarHBondContact O-N 3Å; S530-W532 VanDerWaalsContact O-N 3.14Å; S530-W532 VanDerWaalsContact OG-CD1 3.31Å; S530-S533 PolarHBondContact O-N 3.19Å; S530-S533 PolarHBondContact O-OG 3.41Å
531	V	95.6	Very high	91.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.3	-22	178.6	73.5	0	0	0	0	112.7	H502 F508 T510 F511 S533 L534 L535	H502-V531 HydrophobicContact CB-CG2 3.62Å; F508-V531 HydrophobicContact CB-CB 3.99Å; F508-V531 HydrophobicContact CD2-CB 3.79Å; F508-V531 HydrophobicContact CD2-CG2 3.68Å; F508-V531 HydrophobicContact CE2-CB 4.39Å; F508-V531 HydrophobicContact CE2-CG2 3.96Å; F508-V531 HydrophobicContact CG-CB 3.85Å; F508-V531 HydrophobicContact CG-CG2 4.27Å; T510-V531 HydrophobicContact CG2-CG1 3.9Å; T510-V531 PolarHBondContact OG1-N 3.22Å; F511-V531 HydrophobicContact CE2-CG1 4.09Å; V531-S533 PolarHBondContact O-N 2.81Å; V531-L534 WeakPolarHBondContact O-CB 3.18Å; V531-L534 PolarHBondContact O-N 2.78Å; V531-L535 HydrophobicContact CG1-CD1 4.44Å; V531-L535 HydrophobicContact CG2-CD1 3.83Å; V531-L535 HydrophobicContact CG2-CG 4.17Å; V531-L535 PolarHBondContact O-N 2.81Å
532	W	94.6	Very high	91.4	Very high	6 Å²	6	53 Å²	53	2%	0.023	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-68.6	-16.7	-179	-51.5	138.3	0	0	0	114.2	Q437 V440 E441 L499 T510 F511 S530 L535 R536	Q437-W532 HydrophobicContact CB-CD2 4.07Å; Q437-W532 HydrophobicContact CB-CE3 4.29Å; Q437-W532 HydrophobicContact CB-CG 4.41Å; Q437-W532 HydrophobicContact CG-CD2 3.71Å; Q437-W532 HydrophobicContact CG-CE3 3.54Å; Q437-W532 HydrophobicContact CG-CG 4.15Å; Q437-W532 HydrophobicContact CG-CZ3 3.99Å; V440-W532 HydrophobicContact CB-CH2 3.91Å; V440-W532 HydrophobicContact CB-CZ2 3.96Å; V440-W532 HydrophobicContact CG1-CH2 3.91Å; V440-W532 HydrophobicContact CG1-CZ2 3.89Å; V440-W532 HydrophobicContact CG2-CH2 4.26Å; E441-W532 HydrophobicContact CG-CZ2 4.25Å; E441-W532 PolarHBondContact OE1-NE1 3.37Å; L499-W532 HydrophobicContact CD1-CH2 3.87Å; L499-W532 HydrophobicContact CD1-CZ3 3.76Å; T510-W532 HydrophobicContact CG2-CZ2 4.1Å; F511-W532 HydrophobicContact CZ-CH2 4.41Å; S530-W532 PolarHBondContact O-N 3Å; S530-W532 VanDerWaalsContact O-N 3.14Å; S530-W532 VanDerWaalsContact OG-CD1 3.31Å; W532-L535 HydrophobicContact CE3-CB 4.2Å; W532-L535 HydrophobicContact CE3-CD1 4.01Å; W532-L535 HydrophobicContact CZ3-CD1 3.88Å; W532-L535 CarbonylContact O-C 3.14Å; W532-R536 WeakPolarHBondContact O-CA 3.1Å; W532-R536 WeakPolarHBondContact O-CB 3.24Å; W532-R536 PolarHBondContact O-N 2.8Å
533	S	89.3	Confident	91.3	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-76.7	-29.5	173.1	72.3	0	0	0	0	112.9	L150 S530 V531 R536	L150-S533 WeakPolarHBondContact O-CB 3.09Å; L150-S533 PolarHBondContact O-OG 3.5Å; S530-S533 PolarHBondContact O-N 3.19Å; S530-S533 PolarHBondContact O-OG 3.41Å; V531-S533 PolarHBondContact O-N 2.81Å; S533-R536 WeakPolarHBondContact O-CD 3.17Å; S533-R536 WeakPolarHBondContact O-CG 3.47Å; S533-R536 PolarHBondContact O-NE 3.48Å
534	L	90.4	Very high	91.3	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-45.3	167.2	178	67.2	0	0	0	110.8	H502 F508 V531 R536 N539 D1033	H502-L534 WeakPolarHBondContact NE2-CD2 3.49Å; F508-L534 HydrophobicContact CE2-CB 4.46Å; F508-L534 HydrophobicContact CE2-CD2 3.91Å; F508-L534 HydrophobicContact CZ-CB 3.91Å; F508-L534 HydrophobicContact CZ-CD2 3.99Å; V531-L534 WeakPolarHBondContact O-CB 3.18Å; V531-L534 PolarHBondContact O-N 2.78Å; L534-R536 VanDerWaalsContact C-N 3.27Å; L534-R536 PolarHBondContact O-N 3.16Å; L534-N539 PolarHBondContact O-ND2 3.04Å; L534-N539 VanDerWaalsContact O-ND2 3.16Å; L534-D1033 HydrophobicContact CD2-CB 4.12Å
535	L	93.1	Very high	91.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.253	C	S	.	.	S	Bend	trans	-87.4	23.5	-176.8	-59.3	-177.8	0	0	0	114	I433 Q437 F495 K498 L499 V531 W532 L542	I433-L535 WeakPolarHBondContact CG2-O 3.23Å; Q437-L535 PolarHBondContact NE2-O 3.03Å; F495-L535 HydrophobicContact CD2-CB 4.18Å; F495-L535 HydrophobicContact CD2-CD2 4.14Å; F495-L535 HydrophobicContact CE2-CB 3.74Å; F495-L535 HydrophobicContact CE2-CD1 4.43Å; F495-L535 HydrophobicContact CE2-CD2 4.48Å; F495-L535 HydrophobicContact CE2-CG 4.44Å; F495-L535 HydrophobicContact CZ-CB 4.44Å; K498-L535 HydrophobicContact CB-CD2 3.81Å; L499-L535 HydrophobicContact CB-CD1 4.23Å; L499-L535 HydrophobicContact CD1-CD1 3.82Å; V531-L535 HydrophobicContact CG1-CD1 4.44Å; V531-L535 HydrophobicContact CG2-CD1 3.83Å; V531-L535 HydrophobicContact CG2-CG 4.17Å; V531-L535 PolarHBondContact O-N 2.81Å; W532-L535 HydrophobicContact CE3-CB 4.2Å; W532-L535 HydrophobicContact CE3-CD1 4.01Å; W532-L535 HydrophobicContact CZ3-CD1 3.88Å; W532-L535 CarbonylContact O-C 3.14Å; L535-L542 HydrophobicContact CD2-CD1 3.62Å
536	R	90.1	Very high	91.5	Very high	115 Å²	115	50.8 Å²	50.8	43%	0.434	25%	0.246	S	C	.	.			trans	-71.6	150.6	-174.7	60.6	-176.2	165.3	165.5	-4.3	113.7	W532 S533 L534 A538 N539	W532-R536 WeakPolarHBondContact O-CA 3.1Å; W532-R536 WeakPolarHBondContact O-CB 3.24Å; W532-R536 PolarHBondContact O-N 2.8Å; S533-R536 WeakPolarHBondContact O-CD 3.17Å; S533-R536 WeakPolarHBondContact O-CG 3.47Å; S533-R536 PolarHBondContact O-NE 3.48Å; L534-R536 VanDerWaalsContact C-N 3.27Å; L534-R536 PolarHBondContact O-N 3.16Å; R536-A538 HydrophobicContact CG-CB 4.29Å; R536-A538 PolarHBondContact O-N 2.7Å; R536-N539 HydrophobicContact CG-CB 4.38Å; R536-N539 WeakPolarHBondContact O-CB 3.42Å; R536-N539 PolarHBondContact O-N 3.17Å
537	P	87.3	Confident	91.7	Very high	39 Å²	39	47.3 Å²	47.3	25%	0.253	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.7	178.2	-25.9	32.9	0	0	0	115.4	I433 E434 N539	I433-P537 HydrophobicContact CB-CG 4.18Å; I433-P537 HydrophobicContact CG2-CB 4.39Å; I433-P537 HydrophobicContact CG2-CG 3.79Å; E434-P537 HydrophobicContact CG-CG 3.56Å; P537-N539 PolarHBondContact O-N 2.71Å
538	A	85.9	Confident	91.8	Very high	75 Å²	75	45.3 Å²	45.3	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.1	175.5	0	0	0	0	0	113.7	R536 R540	R536-A538 HydrophobicContact CG-CB 4.29Å; R536-A538 PolarHBondContact O-N 2.7Å; A538-R540 PolarHBondContact O-N 2.78Å
539	N	87.2	Confident	91.5	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	26%	0.255	C	S	.	.			trans	-79.7	85.4	-178.3	-166.5	-3.6	0	0	0	111.6	L534 R536 P537 T541 L542	L534-N539 PolarHBondContact O-ND2 3.04Å; L534-N539 VanDerWaalsContact O-ND2 3.16Å; R536-N539 HydrophobicContact CG-CB 4.38Å; R536-N539 WeakPolarHBondContact O-CB 3.42Å; R536-N539 PolarHBondContact O-N 3.17Å; P537-N539 PolarHBondContact O-N 2.71Å; N539-T541 PolarHBondContact O-N 2.85Å; N539-T541 PolarHBondContact OD1-OG1 2.75Å; N539-L542 HydrophobicContact CB-CD1 4.17Å; N539-L542 HydrophobicContact CB-CG 4.37Å; N539-L542 WeakPolarHBondContact ND2-CD1 3.19Å; N539-L542 PolarHBondContact O-N 3.04Å
540	R	86.7	Confident	91	Very high	209 Å²	209	57.1 Å²	57.1	79%	0.789	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.9	-176.2	-62.4	-172	-178.7	-153.6	0.5	115	A538 L542	A538-R540 PolarHBondContact O-N 2.78Å; R540-L542 VanDerWaalsContact C-N 3.29Å
541	T	88	Confident	90.5	Very high	73 Å²	73	57.9 Å²	57.9	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.2	176.1	65.9	0	0	0	0	112.3	N492 N539 R1047	N492-T541 PolarHBondContact ND2-O 2.74Å; N539-T541 PolarHBondContact O-N 2.85Å; N539-T541 PolarHBondContact OD1-OG1 2.75Å; T541-R1047 PolarHBondContact O-NH2 2.94Å
542	L	91.9	Very high	89.8	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	32%	0.324	C	S	.	.	S	Bend	trans	-93.3	-8.4	-179	-55.3	-178.5	0	0	0	113.3	F491 N492 A494 F495 L535 N539 R540	F491-L542 WeakPolarHBondContact CA-O 3.33Å; N492-L542 PolarHBondContact N-O 2.84Å; N492-L542 PolarHBondContact ND2-O 3.03Å; N492-L542 PolarHBondContact OD1-O 3.21Å; A494-L542 HydrophobicContact CB-CD2 4.05Å; F495-L542 HydrophobicContact CB-CB 4.25Å; F495-L542 HydrophobicContact CD2-CB 4.3Å; F495-L542 HydrophobicContact CD2-CD1 4.3Å; L535-L542 HydrophobicContact CD2-CD1 3.62Å; N539-L542 HydrophobicContact CB-CD1 4.17Å; N539-L542 HydrophobicContact CB-CG 4.37Å; N539-L542 WeakPolarHBondContact ND2-CD1 3.19Å; N539-L542 PolarHBondContact O-N 3.04Å; R540-L542 VanDerWaalsContact C-N 3.29Å
543	R	93.9	Very high	89.6	Confident	93 Å²	93	67.7 Å²	67.7	35%	0.351	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-79.2	140.2	176.6	-166.6	-178	-176.1	83.9	12.4	111.3	E490 N492	E490-R543 HydrophobicContact CG-CG 4.39Å; E490-R543 CarbonylContact O-C 3.52Å; E490-R543 WeakPolarHBondContact O-CA 3.5Å; E490-R543 IonicContact OE1-CZ 2.92Å; E490-R543 IonicContact OE1-NH1 3.24Å; E490-R543 PolarHBondContact OE1-NH1 2.89Å; E490-R543 IonicContact OE1-NH2 3.71Å; E490-R543 PolarHBondContact OE1-NH2 2.76Å; N492-R543 PolarHBondContact ND2-O 3.29Å
544	N	94.8	Very high	90	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	35%	0.348	C	S	.	.			trans	-82.9	122.6	168.5	177.5	14.2	0	0	0	110.7	P486 F489 E490 N492 L546 Y547 Q1043	P486-N544 PolarHBondContact O-ND2 2.9Å; F489-N544 WeakPolarHBondContact O-CB 3.36Å; F489-N544 PolarHBondContact O-ND2 3.45Å; E490-N544 PolarHBondContact O-N 3.17Å; N492-N544 HydrophobicContact CB-CB 4.18Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.41Å; N544-L546 WeakPolarHBondContact OD1-CB 3.05Å; N544-L546 PolarHBondContact OD1-N 2.99Å; N544-Y547 WeakPolarHBondContact O-CB 3.29Å; N544-Y547 PolarHBondContact O-N 3.49Å; N544-Q1043 PolarHBondContact OD1-NE2 3.28Å
545	M	93.5	Very high	90.3	Very high	72 Å²	72	66.5 Å²	66.5	36%	0.355	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.6	176.8	-67.7	177.6	66.3	0	0	113.8	Y547 L1046 R1047 E1050	M545-Y547 VanDerWaalsContact C-N 3.31Å; M545-L1046 HydrophobicContact CB-CB 4.42Å; M545-L1046 HydrophobicContact CB-CD1 4.21Å; M545-L1046 HydrophobicContact CE-CB 3.93Å; M545-L1046 HydrophobicContact SD-CB 3.59Å; M545-L1046 VanDerWaalsContact SD-CB 3.59Å; M545-R1047 HydrophobicContact CE-CG 4.48Å; M545-R1047 HydrophobicContact SD-CB 4.31Å; M545-R1047 HydrophobicContact SD-CG 3.43Å; M545-R1047 WeakPolarHBondContact SD-CG 3.49Å; M545-E1050 HydrophobicContact CE-CB 3.88Å; M545-E1050 HydrophobicContact CE-CG 4.38Å; M545-E1050 WeakPolarHBondContact CE-OE2 3.22Å
546	L	93.6	Very high	90.5	Very high	68 Å²	68	70.7 Å²	70.7	36%	0.356	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.2	177.3	-56.4	179.9	0	0	0	112.7	P486 C487 N544 S548 L1046	P486-L546 HydrophobicContact CB-CD1 4.37Å; C487-L546 VanDerWaalsContact CA-O 3.29Å; C487-L546 WeakPolarHBondContact CA-O 3.39Å; C487-L546 VanDerWaalsContact CB-O 3.28Å; C487-L546 WeakPolarHBondContact CB-O 3.22Å; N544-L546 VanDerWaalsContact C-N 3.3Å; N544-L546 PolarHBondContact O-N 3.41Å; N544-L546 WeakPolarHBondContact OD1-CB 3.05Å; N544-L546 PolarHBondContact OD1-N 2.99Å; L546-S548 PolarHBondContact O-N 2.95Å; L546-L1046 HydrophobicContact CD1-CD1 4.2Å; L546-L1046 HydrophobicContact CD2-CD1 3.7Å; L546-L1046 HydrophobicContact CD2-CD2 4.18Å; L546-L1046 HydrophobicContact CG-CD1 3.72Å
547	Y	95.8	Very high	90.9	Very high	43 Å²	43	65.5 Å²	65.5	17%	0.169	34%	0.342	C	S	.	.			trans	-61.5	128.3	-175.7	175.9	-121.9	0	0	0	112.6	C487 F489 E490 N544 M545	C487-Y547 WeakPolarHBondContact O-CA 3.08Å; F489-Y547 WeakPolarHBondContact O-CB 3.19Å; F489-Y547 WeakPolarHBondContact O-CD2 3.37Å; E490-Y547 VanDerWaalsContact CA-CG 3.49Å; E490-Y547 HydrophobicContact CB-CD1 3.63Å; E490-Y547 HydrophobicContact CB-CD2 4.12Å; E490-Y547 HydrophobicContact CB-CE1 3.73Å; E490-Y547 HydrophobicContact CB-CE2 4.23Å; E490-Y547 HydrophobicContact CB-CG 3.83Å; E490-Y547 HydrophobicContact CG-CD1 3.6Å; E490-Y547 HydrophobicContact CG-CE1 3.84Å; E490-Y547 HydrophobicContact CG-CG 4.19Å; N544-Y547 WeakPolarHBondContact O-CB 3.29Å; N544-Y547 PolarHBondContact O-N 3.49Å; M545-Y547 VanDerWaalsContact C-N 3.31Å
548	S	93.6	Very high	91.3	Very high	42 Å²	42	67.3 Å²	67.3	29%	0.294	35%	0.352	S	S	.	.			trans	-123.1	125.9	171.1	-177.1	0	0	0	0	111	C487 L546 H550 S551	C487-S548 PolarHBondContact O-N 3.18Å; L546-S548 PolarHBondContact O-N 2.95Å; S548-H550 PolarHBondContact O-N 3.05Å; S548-H550 VanDerWaalsContact O-N 3.14Å; S548-H550 PolarHBondContact OG-N 3.17Å; S548-H550 VanDerWaalsContact OG-N 3.11Å; S548-S551 VanDerWaalsContact O-CB 3.31Å; S548-S551 WeakPolarHBondContact O-CB 3.47Å; S548-S551 PolarHBondContact O-N 2.9Å; S548-S551 VanDerWaalsContact O-N 3.09Å; S548-S551 PolarHBondContact O-OG 3.39Å
549	S	87.9	Confident	91.9	Very high	89 Å²	89	64.3 Å²	64.3	62%	0.622	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-5.6	167	58	0	0	0	0	113.6
550	H	84.3	Confident	92.3	Very high	166 Å²	166	66.3 Å²	66.3	77%	0.769	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	19.5	174.1	-48.3	89.1	0	0	0	111.9	S548	S548-H550 PolarHBondContact O-N 3.05Å; S548-H550 VanDerWaalsContact O-N 3.14Å; S548-H550 PolarHBondContact OG-N 3.17Å; S548-H550 VanDerWaalsContact OG-N 3.11Å
551	S	82.1	Confident	92.8	Very high	25 Å²	25	58.1 Å²	58.1	18%	0.175	31%	0.308	C	S	.	.	S	Bend	trans	-66.9	165.4	169.7	49.8	0	0	0	0	111.6	R431 S548 T553	R431-S551 PolarHBondContact NH1-OG 2.95Å; S548-S551 VanDerWaalsContact O-CB 3.31Å; S548-S551 WeakPolarHBondContact O-CB 3.47Å; S548-S551 PolarHBondContact O-N 2.9Å; S548-S551 VanDerWaalsContact O-N 3.09Å; S548-S551 PolarHBondContact O-OG 3.39Å; S551-T553 PolarHBondContact O-N 3.47Å
552	E	82.8	Confident	93	Very high	124 Å²	124	64 Å²	64	58%	0.579	32%	0.322	S	S	*	.			trans	-54.1	135.6	177.4	-63.3	179.7	149.2	0	0	111	R431 L555	R431-E552 PolarHBondContact NH2-O 2.77Å; E552-L555 HydrophobicContact CB-CD2 3.98Å
553	T	89.1	Confident	93.2	Very high	88 Å²	88	67.1 Å²	67.1	54%	0.54	34%	0.338	S	S	.	.	S	Bend	trans	-68.7	-47.6	-178.3	-48.8	0	0	0	0	111.4	P428 R431 S551	P428-T553 HydrophobicContact CG-CG2 4.33Å; R431-T553 PolarHBondContact NH2-O 2.99Å; S551-T553 PolarHBondContact O-N 3.47Å
554	V	97.2	Very high	93.3	Very high	21 Å²	21	63 Å²	63	13%	0.127	32%	0.323	C	S	.	.	S	Bend	trans	-108.6	132.5	175.8	-176.4	0	0	0	0	108.9	V394 L425 L426	V394-V554 HydrophobicContact CG1-CG1 3.65Å; L425-V554 CarbonylContact O-C 3.5Å; L425-V554 VanDerWaalsContact O-CA 3.23Å; L425-V554 WeakPolarHBondContact O-CA 3.2Å; L426-V554 HydrophobicContact CD2-CG1 4.33Å; L426-V554 HydrophobicContact CD2-CG2 4.42Å
555	L	97.9	Very high	93.2	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.335	C	S	.	.			trans	-106.6	135.4	-178.5	-57.1	-178.9	0	0	0	110.7	L425 F485 F489 E552 P557	L425-L555 HydrophobicContact CD2-CB 3.75Å; L425-L555 PolarHBondContact O-N 2.81Å; F485-L555 HydrophobicContact CB-CD1 4.33Å; F485-L555 HydrophobicContact CD1-CD2 3.91Å; F485-L555 HydrophobicContact CD2-CB 4.34Å; F485-L555 HydrophobicContact CD2-CD1 4.02Å; F485-L555 HydrophobicContact CE1-CB 4.41Å; F485-L555 HydrophobicContact CE1-CD2 4.19Å; F485-L555 HydrophobicContact CE2-CB 4.04Å; F485-L555 HydrophobicContact CG-CD1 4.11Å; F485-L555 HydrophobicContact CG-CD2 4.14Å; F485-L555 HydrophobicContact CZ-CB 4.08Å; F489-L555 HydrophobicContact CE2-CD1 4.26Å; F489-L555 HydrophobicContact CZ-CD1 4.25Å; E552-L555 HydrophobicContact CB-CD2 3.98Å; L555-P557 WeakPolarHBondContact O-CD 3.35Å
556	H	97.4	Very high	93.3	Very high	89 Å²	89	62.6 Å²	62.6	41%	0.412	32%	0.321	S	S	.	.			trans	-119.9	84.3	-179.6	-63.4	-57.5	0	0	0	111.5
557	P	97.1	Very high	93.4	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.039	30%	0.304	C	S	.	.			trans	-65.8	151	-175	24.8	-36	0	0	0	114.1	L425 L481 F485 L555 C559	L425-P557 HydrophobicContact CD1-CG 4.04Å; L425-P557 HydrophobicContact CD2-CG 3.97Å; L481-P557 HydrophobicContact CD2-CB 3.56Å; L481-P557 HydrophobicContact CD2-CG 3.77Å; F485-P557 HydrophobicContact CE2-CB 4.09Å; L555-P557 WeakPolarHBondContact O-CD 3.35Å; P557-C559 PolarHBondContact O-N 3.35Å; P557-C559 PolarHBondContact O-SG 3.42Å; P557-C559 VanDerWaalsContact O-SG 3.36Å
558	V	97.4	Very high	93.2	Very high	78 Å²	78	59.4 Å²	59.4	47%	0.473	31%	0.309	S	S	.	.			trans	-81.8	95	167.7	-174.4	0	0	0	0	108.8	Q484 H560 N563	Q484-V558 PolarHBondContact NE2-O 3.18Å; Q484-V558 VanDerWaalsContact NE2-O 3.08Å; V558-H560 PolarHBondContact O-N 3.07Å; V558-N563 HydrophobicContact CB-CB 4.28Å; V558-N563 HydrophobicContact CG1-CB 3.94Å; V558-N563 VanDerWaalsContact CG1-CG 3.46Å; V558-N563 VanDerWaalsContact CG1-OD1 3.3Å; V558-N563 WeakPolarHBondContact CG1-OD1 3.46Å
559	C	97.6	Very high	93	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.074	31%	0.305	C	S	.	.			trans	-79.8	12.8	-174.7	-43.8	0	0	0	0	115.1	S384 L387 K388 P557	S384-C559 WeakPolarHBondContact CB-O 3.43Å; S384-C559 PolarHBondContact OG-O 2.96Å; L387-C559 HydrophobicContact CB-CB 3.93Å; K388-C559 HydrophobicContact CG-CB 3.66Å; P557-C559 PolarHBondContact O-N 3.35Å; P557-C559 PolarHBondContact O-SG 3.42Å; P557-C559 VanDerWaalsContact O-SG 3.36Å
560	H	96.3	Very high	93.3	Very high	85 Å²	85	54.5 Å²	54.5	39%	0.394	28%	0.276	S	S	.	.	S	Bend	trans	-81.4	133.8	179.7	-168.2	-23.5	0	0	0	110.2	V558 R562 N563	V558-H560 PolarHBondContact O-N 3.07Å; H560-R562 HydrophobicContact CB-CG 4.38Å; H560-R562 PolarHBondContact CD2-NE 2.72Å; H560-R562 VanDerWaalsContact CD2-NE 3.29Å; H560-R562 PolarHBondContact NE2-NE 2.89Å; H560-R562 PolarHBondContact NE2-NH2 2.87Å; H560-R562 PolarHBondContact O-N 3.43Å; H560-N563 WeakPolarHBondContact O-CB 3.17Å; H560-N563 PolarHBondContact O-N 3.23Å
561	V	95.7	Very high	93.7	Very high	37 Å²	37	46.6 Å²	46.6	22%	0.224	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-40.9	-39.1	176.3	-178.5	0	0	0	0	114.4	L380 Q381 N563 L564	L380-V561 HydrophobicContact CB-CG1 3.92Å; Q381-V561 HydrophobicContact CG-CG2 4.13Å; V561-N563 PolarHBondContact O-N 2.93Å; V561-N563 VanDerWaalsContact O-N 3.15Å; V561-L564 PolarHBondContact O-N 2.97Å; V561-L564 VanDerWaalsContact O-N 3.11Å
562	R	93.4	Very high	93.9	Very high	197 Å²	197	46.2 Å²	46.2	74%	0.743	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.8	-14.7	179.3	78.7	177.1	77	-163.1	3.8	115	H560	H560-R562 HydrophobicContact CB-CG 4.38Å; H560-R562 PolarHBondContact CD2-NE 2.72Å; H560-R562 VanDerWaalsContact CD2-NE 3.29Å; H560-R562 PolarHBondContact NE2-NE 2.89Å; H560-R562 PolarHBondContact NE2-NH2 2.87Å; H560-R562 PolarHBondContact O-N 3.43Å
563	N	95	Very high	93.6	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-106	0.8	179.7	-62.3	93.7	0	0	0	112.2	V558 H560 V561	V558-N563 HydrophobicContact CB-CB 4.28Å; V558-N563 HydrophobicContact CG1-CB 3.94Å; V558-N563 VanDerWaalsContact CG1-CG 3.46Å; V558-N563 VanDerWaalsContact CG1-OD1 3.3Å; V558-N563 WeakPolarHBondContact CG1-OD1 3.46Å; H560-N563 WeakPolarHBondContact O-CB 3.17Å; H560-N563 PolarHBondContact O-N 3.23Å; V561-N563 PolarHBondContact O-N 2.93Å; V561-N563 VanDerWaalsContact O-N 3.15Å
564	L	96.4	Very high	92.3	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	24%	0.242	C	C	.	.			trans	-101.8	147.1	174.4	-48.3	-175.6	0	0	0	108.7	L380 L383 L387 Q480 V561	L380-L564 HydrophobicContact CD2-CB 4.3Å; L383-L564 HydrophobicContact CB-CD1 3.9Å; L387-L564 HydrophobicContact CD1-CD1 4.29Å; L387-L564 HydrophobicContact CD1-CD2 3.78Å; Q480-L564 HydrophobicContact CB-CD2 4.16Å; Q480-L564 HydrophobicContact CG-CD2 4.09Å; V561-L564 PolarHBondContact O-N 2.97Å; V561-L564 VanDerWaalsContact O-N 3.11Å
565	M	94.1	Very high	90.1	Very high	54 Å²	54	49 Å²	49	27%	0.266	27%	0.272	S	S	.	.			trans	-128.3	152	178.1	-73.1	177.8	55	0	0	111	Q480 R483 W567 S581	Q480-M565 PolarHBondContact NE2-O 3.42Å; R483-M565 PolarHBondContact NH2-SD 2.83Å; M565-W567 PolarHBondContact O-N 3.2Å; M565-S581 WeakPolarHBondContact CE-OG 3.43Å
566	L	94.9	Very high	87.8	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	29%	0.287	C	S	.	.			trans	-59.5	132	174.3	-175.9	66.8	0	0	0	109.9	L357 W370 L374 T568 Y571 L572	L357-L566 HydrophobicContact CD1-CD1 3.75Å; L357-L566 HydrophobicContact CD2-CD1 4.13Å; L357-L566 HydrophobicContact CG-CD1 4.43Å; W370-L566 HydrophobicContact CH2-CD2 4.32Å; W370-L566 HydrophobicContact CZ2-CD2 3.81Å; L374-L566 HydrophobicContact CD1-CD1 4.31Å; L566-T568 VanDerWaalsContact C-N 3.29Å; L566-T568 PolarHBondContact O-N 2.53Å; L566-Y571 HydrophobicContact CD1-CD2 3.52Å; L566-Y571 HydrophobicContact CD1-CE2 4.25Å; L566-Y571 HydrophobicContact CD1-CG 4.37Å; L566-Y571 HydrophobicContact CG-CD2 4.16Å; L566-L572 HydrophobicContact CD2-CG 4.49Å
567	W	95.2	Very high	85	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.294	C	S	.	.			trans	-75.5	81.4	176.6	-166.1	8.9	0	0	0	110.9	L472 L475 D476 H479 E493 L496 V497 V500 M565 A569 V570 Y571	L472-W567 HydrophobicContact CD1-CZ3 4.34Å; L475-W567 HydrophobicContact CB-CH2 4.25Å; L475-W567 HydrophobicContact CB-CZ3 4Å; D476-W567 HydrophobicContact CB-CE3 3.93Å; D476-W567 HydrophobicContact CB-CZ3 4.4Å; H479-W567 HydrophobicContact CB-CD2 4.02Å; H479-W567 HydrophobicContact CB-CE3 4.28Å; H479-W567 HydrophobicContact CB-CH2 4.39Å; H479-W567 HydrophobicContact CB-CZ2 4.12Å; H479-W567 HydrophobicContact CB-CZ3 4.45Å; H479-W567 AromaticContact CD2-CD1 3.51Å; H479-W567 AromaticContact CD2-CG 3.96Å; H479-W567 AromaticContact CD2-NE1 3.55Å; H479-W567 AromaticContact CE1-CD1 3.58Å; H479-W567 AromaticContact CE1-CG 3.53Å; H479-W567 AromaticContact CG-CD1 3.77Å; H479-W567 AromaticContact CG-CD2 3.77Å; H479-W567 AromaticContact CG-CE2 3.83Å; H479-W567 AromaticContact CG-CG 3.77Å; H479-W567 AromaticContact CG-NE1 3.81Å; H479-W567 AromaticContact ND1-CD1 3.81Å; H479-W567 AromaticContact ND1-CD2 3.8Å; H479-W567 AromaticContact ND1-CG 3.48Å; H479-W567 AromaticContact NE2-CD1 3.41Å; H479-W567 AromaticContact NE2-CG 3.85Å; H479-W567 AromaticContact NE2-NE1 3.95Å; E493-W567 VanDerWaalsContact OE1-CD1 3.24Å; E493-W567 PolarHBondContact OE1-NE1 3.27Å; L496-W567 HydrophobicContact CB-CH2 3.78Å; L496-W567 HydrophobicContact CB-CZ2 3.71Å; V497-W567 HydrophobicContact CG2-CZ2 4.01Å; V500-W567 HydrophobicContact CG2-CH2 3.71Å; V500-W567 HydrophobicContact CG2-CZ3 3.83Å; M565-W567 PolarHBondContact O-N 3.2Å; W567-A569 VanDerWaalsContact C-N 3.32Å; W567-A569 PolarHBondContact O-N 2.8Å; W567-V570 HydrophobicContact CD2-CB 4.07Å; W567-V570 HydrophobicContact CD2-CG2 3.53Å; W567-V570 VanDerWaalsContact CE2-CG2 3.46Å; W567-V570 HydrophobicContact CE3-CB 4.24Å; W567-V570 HydrophobicContact CE3-CG2 3.77Å; W567-V570 HydrophobicContact CG-CB 4.3Å; W567-V570 HydrophobicContact CG-CG2 4.12Å; W567-V570 HydrophobicContact CH2-CG2 3.86Å; W567-V570 HydrophobicContact CZ2-CG2 3.64Å; W567-V570 HydrophobicContact CZ3-CG2 3.93Å; W567-V570 PolarHBondContact O-N 3.28Å; W567-V570 VanDerWaalsContact O-N 3.16Å; W567-Y571 HydrophobicContact CB-CD2 3.87Å; W567-Y571 HydrophobicContact CB-CE2 3.67Å; W567-Y571 WeakPolarHBondContact O-CD2 3.13Å; W567-Y571 PolarHBondContact O-N 3.41Å
568	T	91.2	Very high	82.4	Confident	43 Å²	43	54.8 Å²	54.8	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-58.5	-39.9	-171.7	53.3	0	0	0	0	112.8	L566 V570 Y571 L572 T579	L566-T568 VanDerWaalsContact C-N 3.29Å; L566-T568 PolarHBondContact O-N 2.53Å; T568-V570 PolarHBondContact O-N 2.81Å; T568-Y571 PolarHBondContact O-N 3.06Å; T568-L572 HydrophobicContact CG2-CD1 3.86Å; T568-L572 WeakPolarHBondContact O-CB 3.46Å; T568-L572 PolarHBondContact O-N 3.46Å; T568-T579 HydrophobicContact CG2-CG2 4.37Å
569	A	90.8	Very high	79.8	Confident	26 Å²	26	51.6 Å²	51.6	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-27.7	178.3	0	0	0	0	0	114.6	E493 V497 W567	E493-A569 WeakPolarHBondContact OE1-CB 3.32Å; V497-A569 HydrophobicContact CG2-CB 4.09Å; W567-A569 VanDerWaalsContact C-N 3.32Å; W567-A569 PolarHBondContact O-N 2.8Å
570	V	93.1	Very high	77.1	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-97	-48.8	175.4	179.2	0	0	0	0	110.7	D93 K95 L472 V497 V500 W567 T568	D93-V570 HydrophobicContact CB-CG1 4.33Å; K95-V570 WeakPolarHBondContact CE-O 3.07Å; K95-V570 PolarHBondContact NZ-O 3.4Å; L472-V570 HydrophobicContact CD1-CG1 4.2Å; V497-V570 HydrophobicContact CG2-CG2 4.07Å; V500-V570 HydrophobicContact CG1-CG1 3.91Å; W567-V570 HydrophobicContact CD2-CB 4.07Å; W567-V570 HydrophobicContact CD2-CG2 3.53Å; W567-V570 VanDerWaalsContact CE2-CG2 3.46Å; W567-V570 HydrophobicContact CE3-CB 4.24Å; W567-V570 HydrophobicContact CE3-CG2 3.77Å; W567-V570 HydrophobicContact CG-CB 4.3Å; W567-V570 HydrophobicContact CG-CG2 4.12Å; W567-V570 HydrophobicContact CH2-CG2 3.86Å; W567-V570 HydrophobicContact CZ2-CG2 3.64Å; W567-V570 HydrophobicContact CZ3-CG2 3.93Å; W567-V570 PolarHBondContact O-N 3.28Å; W567-V570 VanDerWaalsContact O-N 3.16Å; T568-V570 PolarHBondContact O-N 2.81Å
571	Y	93.2	Very high	74.4	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-89.1	-12.2	-166.5	-54.3	-41.7	0	0	0	115.5	C94 F354 L357 W379 L472 D476 L566 W567 T568	C94-Y571 HydrophobicContact CB-CD1 3.51Å; C94-Y571 HydrophobicContact CB-CE1 4.35Å; C94-Y571 HydrophobicContact CB-CG 4.2Å; F354-Y571 HydrophobicContact CE2-CD1 4.3Å; F354-Y571 AromaticContact CE2-CE1 3.81Å; F354-Y571 HydrophobicContact CE2-CE1 3.81Å; F354-Y571 HydrophobicContact CZ-CE1 4.43Å; L357-Y571 HydrophobicContact CD2-CD2 4.18Å; L357-Y571 HydrophobicContact CD2-CE2 4.29Å; L357-Y571 HydrophobicContact CD2-CG 4.4Å; W379-Y571 WeakPolarHBondContact CZ2-OH 3.18Å; W379-Y571 AromaticContact NE1-CE2 3.86Å; L472-Y571 HydrophobicContact CD1-CE1 4.08Å; L472-Y571 HydrophobicContact CD2-CE1 4.21Å; L472-Y571 HydrophobicContact CG-CE1 4.34Å; D476-Y571 WeakPolarHBondContact OD2-CE2 3.3Å; D476-Y571 PolarHBondContact OD2-OH 3.47Å; L566-Y571 HydrophobicContact CD1-CD2 3.52Å; L566-Y571 HydrophobicContact CD1-CE2 4.25Å; L566-Y571 HydrophobicContact CD1-CG 4.37Å; L566-Y571 HydrophobicContact CG-CD2 4.16Å; W567-Y571 HydrophobicContact CB-CD2 3.87Å; W567-Y571 HydrophobicContact CB-CE2 3.67Å; W567-Y571 WeakPolarHBondContact O-CD2 3.13Å; W567-Y571 PolarHBondContact O-N 3.41Å; T568-Y571 PolarHBondContact O-N 3.06Å
572	L	86.9	Confident	71.6	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.089	33%	0.328	C	S	.	.	S	Bend	trans	-118.1	149.1	177.7	-59.2	-179.9	0	0	0	111.3	C361 L566 T568 T579	C361-L572 HydrophobicContact CB-CD2 3.87Å; L566-L572 HydrophobicContact CD2-CG 4.49Å; T568-L572 HydrophobicContact CG2-CD1 3.86Å; T568-L572 WeakPolarHBondContact O-CB 3.46Å; T568-L572 PolarHBondContact O-N 3.46Å; L572-T579 HydrophobicContact CD1-CG2 4.24Å
573	P	75	Confident	68.6	Low	51 Å²	51	51.8 Å²	51.8	33%	0.331	32%	0.323	S	S	.	.			trans	-59	144.1	164.4	-24.9	34.4	0	0	0	112.4	S575 S576	P573-S575 PolarHBondContact O-N 2.84Å; P573-S576 WeakPolarHBondContact CD-OG 3.27Å; P573-S576 WeakPolarHBondContact O-CB 3.35Å; P573-S576 PolarHBondContact O-N 3.26Å; P573-S576 PolarHBondContact O-OG 3.34Å
574	S	62	Low	65.7	Low	132 Å²	132	53.1 Å²	53.1	92%	0.923	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-6.4	179	-37.4	0	0	0	0	115
575	S	51.8	Low	62.6	Low	108 Å²	108	58.5 Å²	58.5	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	1.8	176.1	55	0	0	0	0	113.6	P573	P573-S575 PolarHBondContact O-N 2.84Å
576	S	49.9	Very low	59.4	Low	45 Å²	45	58.9 Å²	58.9	32%	0.315	39%	0.387	S	S	.	.	S	Bend	trans	-65.1	143.1	174	-75.5	0	0	0	0	110.8	P573 T578	P573-S576 WeakPolarHBondContact CD-OG 3.27Å; P573-S576 WeakPolarHBondContact O-CB 3.35Å; P573-S576 PolarHBondContact O-N 3.26Å; P573-S576 PolarHBondContact O-OG 3.34Å; S576-T578 PolarHBondContact O-N 2.9Å
577	P	38.8	Very low	56.4	Low	86 Å²	86	64 Å²	64	56%	0.558	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-58.6	135.7	166	27.3	-33.5	0	0	0	108.9
578	T	42.5	Very low	53.3	Low	85 Å²	85	74.4 Å²	74.4	52%	0.521	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-53.6	139.8	179.7	30.6	0	0	0	0	111.1	S576 D582	S576-T578 PolarHBondContact O-N 2.9Å; T578-D582 HydrophobicContact CG2-CB 4.1Å
579	T	43	Very low	50.3	Low	12 Å²	12	77.9 Å²	77.9	7%	0.074	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-59.5	140.2	169.9	44.1	0	0	0	0	109	W370 T568 L572 S581 D582	W370-T579 HydrophobicContact CZ2-CG2 3.77Å; T568-T579 HydrophobicContact CG2-CG2 4.37Å; L572-T579 HydrophobicContact CD1-CG2 4.24Å; T579-S581 PolarHBondContact O-N 2.93Å; T579-S581 PolarHBondContact OG1-OG 3.19Å; T579-D582 PolarHBondContact O-N 2.9Å
580	P	39.1	Very low	47.4	Very low	95 Å²	95	82.5 Å²	82.5	62%	0.617	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	6.6	-167.9	24.6	-35.1	0	0	0	115.9
581	S	40	Very low	44.3	Very low	49 Å²	49	88.9 Å²	88.9	34%	0.343	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-25.6	169.3	48.3	0	0	0	0	114.8	M565 T579 S584	M565-S581 WeakPolarHBondContact CE-OG 3.43Å; T579-S581 PolarHBondContact O-N 2.93Å; T579-S581 PolarHBondContact OG1-OG 3.19Å; S581-S584 WeakPolarHBondContact O-CB 3.49Å; S581-S584 PolarHBondContact O-N 2.67Å
582	D	37.2	Very low	41.6	Very low	69 Å²	69	92.1 Å²	92.1	37%	0.369	59%	0.586	S	S	.	*	S	Bend	trans	-67.9	-44.7	-172.8	-81.1	-38.8	0	0	0	112.4	T578 T579 S584 C585	T578-D582 HydrophobicContact CG2-CB 4.1Å; T579-D582 PolarHBondContact O-N 2.9Å; D582-S584 PolarHBondContact O-N 2.86Å; D582-C585 PolarHBondContact O-N 3.43Å
583	D	31.7	Very low	39	Very low	121 Å²	121	95.9 Å²	95.9	65%	0.647	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-67.1	-14.8	176.6	-67.7	-54.1	0	0	0	112.9	C585 A586	D583-C585 PolarHBondContact O-N 2.68Å; D583-A586 WeakPolarHBondContact O-CB 3.39Å; D583-A586 PolarHBondContact O-N 2.82Å; D583-A586 VanDerWaalsContact O-N 3.17Å
584	S	32.7	Very low	36.9	Very low	98 Å²	98	100.4 Å²	100.4	69%	0.685	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-74.4	-5.7	176.4	-168.8	0	0	0	0	113.8	S581 D582	S581-S584 WeakPolarHBondContact O-CB 3.49Å; S581-S584 PolarHBondContact O-N 2.67Å; D582-S584 PolarHBondContact O-N 2.86Å
585	C	31.1	Very low	35.6	Very low	122 Å²	122	99.8 Å²	99.8	82%	0.824	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-101	5.1	169.7	-83.4	0	0	0	0	113.5	D582 D583	D582-C585 PolarHBondContact O-N 3.43Å; D583-C585 PolarHBondContact O-N 2.68Å
586	A	28.5	Very low	34.7	Very low	61 Å²	61	102.9 Å²	102.9	50%	0.504	64%	0.636	S	S	.	*	S	Bend	trans	-72.4	135.8	162.3	0	0	0	0	0	109.6	D583 Y588	D583-A586 WeakPolarHBondContact O-CB 3.39Å; D583-A586 PolarHBondContact O-N 2.82Å; D583-A586 VanDerWaalsContact O-N 3.17Å; A586-Y588 PolarHBondContact O-N 3.48Å
587	P	31.1	Very low	34.1	Very low	122 Å²	122	108.5 Å²	108.5	79%	0.792	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.9	168.6	27.3	-33.3	0	0	0	109.3
588	Y	29.4	Very low	33.8	Very low	218 Å²	218	108.9 Å²	108.9	86%	0.855	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-48	136.3	-178.2	-83.9	-100.9	0	0	0	111.7	A586 V590	A586-Y588 PolarHBondContact O-N 3.48Å; Y588-V590 PolarHBondContact O-N 2.96Å
589	P	28.2	Very low	33.3	Very low	116 Å²	116	110.9 Å²	110.9	75%	0.753	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59.3	129.6	173.8	25.5	-33.4	0	0	0	109.7	P591	P589-P591 WeakPolarHBondContact O-CD 3.47Å
590	V	30.8	Very low	32.7	Very low	123 Å²	123	118.4 Å²	118.4	75%	0.745	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.6	126.2	-172.1	-179.7	0	0	0	0	110.9	Y588 G592	Y588-V590 PolarHBondContact O-N 2.96Å; V590-G592 VanDerWaalsContact C-N 3.31Å; V590-G592 PolarHBondContact O-N 3.14Å
591	P	28.1	Very low	32.3	Very low	136 Å²	136	117.9 Å²	117.9	88%	0.883	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	87.1	171.1	-20.4	33.6	0	0	0	111	P589	P589-P591 WeakPolarHBondContact O-CD 3.47Å
592	G	36	Very low	31.8	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-175	1.9	-174.9	0	0	0	0	0	116.9	V590	V590-G592 VanDerWaalsContact C-N 3.31Å; V590-G592 PolarHBondContact O-N 3.14Å
593	A	33.2	Very low	31.3	Very low	95 Å²	95	135 Å²	135	79%	0.785	79%	0.79	S	S	*	*			trans	-78.1	120.8	170.7	0	0	0	0	0	110.2
594	N	30.4	Very low	31.2	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	79%	0.794	S	S	*	*			trans	-69.7	128.6	-177.5	-163.7	44	0	0	0	110.7	E596	N594-E596 VanDerWaalsContact C-N 3.34Å; N594-E596 PolarHBondContact O-N 3.47Å
595	P	33.6	Very low	30.9	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	80%	0.801	S	S	*	*	S	Bend	trans	-87.6	54.6	-161.1	36	-38.9	0	0	0	115
596	E	34.7	Very low	30.7	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	80%	0.797	S	S	*	*			trans	-134.7	67.9	169.6	-72.1	-157.4	134.7	0	0	112.7	N594	N594-E596 VanDerWaalsContact C-N 3.34Å; N594-E596 PolarHBondContact O-N 3.47Å
597	D	35.2	Very low	30.7	Very low	163 Å²	163	147.9 Å²	147.9	87%	0.872	82%	0.816	S	S	*	*	S	Bend	trans	-175.3	80.9	142.9	-107.9	-26.4	0	0	0	111.9
598	A	34.5	Very low	30.6	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	82%	0.818	S	S	*	*			trans	-155.7	86.2	174.6	0	0	0	0	0	113.3	L600	A598-L600 PolarHBondContact O-N 3.43Å
599	P	32.1	Very low	30.3	Very low	126 Å²	126	145.5 Å²	145.5	82%	0.818	81%	0.813	S	S	*	*			trans	-77.9	105.3	178.5	29.9	-33.1	0	0	0	112.8
600	L	29.5	Very low	30.3	Very low	170 Å²	170	145.7 Å²	145.7	89%	0.89	81%	0.807	S	S	*	*			trans	6.3	116.8	151.3	-61.4	170	0	0	0	117.3	A598	A598-L600 PolarHBondContact O-N 3.43Å
601	G	31.1	Very low	30.3	Very low	84 Å²	84	147 Å²	147	87%	0.866	81%	0.81	S	S	*	*			trans	-64.4	160.5	176.4	0	0	0	0	0	114.8
602	R	28.5	Very low	30.3	Very low	238 Å²	238	147.9 Å²	147.9	90%	0.898	81%	0.807	S	S	*	*			trans	-145.3	121.9	-176.3	-153.1	177.4	-152.2	-136.7	5.7	113.7
603	R	26.6	Very low	30.4	Very low	241 Å²	241	149.6 Å²	149.6	91%	0.909	81%	0.806	S	S	*	*			trans	-81.3	132.3	163.3	-105.4	-176.5	172	-173.5	-2.1	110.6
604	T	29.2	Very low	30.1	Very low	122 Å²	122	150.5 Å²	150.5	75%	0.748	81%	0.806	S	S	*	*			trans	40.7	107.8	149.1	-38.1	0	0	0	0	119.9
605	K	27.2	Very low	29.8	Very low	188 Å²	188	148 Å²	148	82%	0.817	81%	0.806	S	S	*	*			trans	-168.1	110.9	133.5	-109.9	164	-174.3	175.3	0	115
606	T	27.5	Very low	29.4	Very low	120 Å²	120	148 Å²	148	74%	0.736	81%	0.808	S	S	*	*			trans	31.3	124.4	143	53.3	0	0	0	0	123.3
607	R	28.7	Very low	29	Very low	242 Å²	242	148.6 Å²	148.6	91%	0.913	81%	0.81	S	S	*	*			trans	72.6	144.4	137.1	-77.9	-169.8	171.9	-159.2	-1.6	121.5
608	S	27.4	Very low	28.6	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	81%	0.813	S	S	*	*			trans	80.7	145	158.5	-158.2	0	0	0	0	116.9
609	F	24.3	Very low	28.2	Very low	170 Å²	170	148.4 Å²	148.4	75%	0.746	81%	0.813	S	S	*	*			cis	-175.4	142.8	-36.1	-159.4	-108.7	0	0	0	105.3
610	D	28.8	Very low	27.8	Very low	120 Å²	120	147.6 Å²	147.6	64%	0.642	81%	0.81	S	S	*	*			trans	57.5	141.4	175.2	-63.7	-18.1	0	0	0	117.3
611	N	29.1	Very low	27.6	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	81%	0.806	S	S	*	*			cis	-152.9	157.1	29.5	-107	-53.7	0	0	0	113
612	L	29.6	Very low	27.4	Very low	154 Å²	154	150 Å²	150	81%	0.806	81%	0.808	S	S	*	*			trans	-81	173.5	159.8	-89.3	166.6	0	0	0	110
613	P	38	Very low	27.4	Very low	106 Å²	106	142.7 Å²	142.7	69%	0.688	80%	0.799	S	S	*	*			cis	-152.7	-177.2	34	45	-24.1	0	0	0	119.7
614	S	26.3	Very low	28.1	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	79%	0.791	S	S	*	*			trans	75.2	140	150.4	-69.5	0	0	0	0	119.1
615	A	25.2	Very low	28	Very low	95 Å²	95	137.7 Å²	137.7	79%	0.785	79%	0.792	S	S	*	*			cis	-154.7	-179.7	-4.2	0	0	0	0	0	112.8
616	C	24.9	Very low	28	Very low	119 Å²	119	138 Å²	138	80%	0.804	79%	0.788	S	S	*	*			trans	-61.6	177.5	-179.7	-48.7	0	0	0	0	114.1
617	E	25.3	Very low	28.1	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	79%	0.788	S	S	*	*			cis	-144.3	144	24.8	-61.4	173	142.8	0	0	109.1
618	L	27.1	Very low	28.2	Very low	179 Å²	179	135 Å²	135	94%	0.937	78%	0.778	S	S	*	*				64.3	112.7	62.8	-150.1	90.9	0	0	0	114.9
619	G	25.2	Very low	28.4	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	78%	0.78	S	S	*	*			trans	155.3	65.4	167.5	0	0	0	0	0	121.6
620	S	24.9	Very low	28.8	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	78%	0.784	S	S	*	*			trans	25.3	137.9	143.1	-56.9	0	0	0	0	125.1
621	T	24.5	Very low	29	Very low	130 Å²	130	135 Å²	135	80%	0.798	79%	0.794	S	S	*	*			trans	84.2	141	134.5	48.7	0	0	0	0	124.7
622	L	26.4	Very low	29.1	Very low	173 Å²	173	132.5 Å²	132.5	91%	0.906	79%	0.788	S	S	*	*			trans	81.8	128.2	155.6	-70.2	160.3	0	0	0	121.2
623	A	29.5	Very low	29	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	79%	0.789	S	S	*	*			trans	-89.3	175.5	160.9	0	0	0	0	0	109.5
624	P	41	Very low	28.6	Very low	116 Å²	116	134.2 Å²	134.2	75%	0.753	79%	0.792	S	S	*	*			cis	-151.6	-175.1	27.5	41.6	-18.7	0	0	0	119.5
625	N	27.4	Very low	28.6	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	78%	0.784	S	S	*	*			trans	92.1	132.3	140.9	-114.7	-26.1	0	0	0	123.2
626	R	27.7	Very low	28.6	Very low	195 Å²	195	138.7 Å²	138.7	74%	0.736	78%	0.781	S	S	*	*			trans	77.1	120.6	146.4	-77.5	-172.7	171.4	-161.2	-0.8	124.6
627	R	28.5	Very low	28.5	Very low	195 Å²	195	144.5 Å²	144.5	74%	0.736	79%	0.787	S	S	*	*				82	98	125.6	-73.6	-177.1	175.7	-125.4	-4.3	122.5
628	S	31.5	Very low	28.4	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	79%	0.785	S	S	*	*				41.3	125.9	111.1	66.2	0	0	0	0	121.8
629	S	31.8	Very low	28.3	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	78%	0.779	S	S	*	*			trans	-149.2	120.7	151.7	-69	0	0	0	0	111.4
630	D	31.9	Very low	28.5	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	78%	0.781	S	S	*	*			trans	-93.1	160.6	155.1	-96	-45.1	0	0	0	109.3
631	P	34.1	Very low	28.4	Very low	130 Å²	130	153.1 Å²	153.1	84%	0.844	79%	0.785	S	S	*	*			trans	-134.3	134.8	130.6	35.7	-24.9	0	0	0	112.9
632	S	29.7	Very low	28.4	Very low	99 Å²	99	158 Å²	158	69%	0.692	79%	0.789	S	S	*	*			trans	-114.2	-172.2	176.7	56.9	0	0	0	0	111.5
633	L	29.2	Very low	28.3	Very low	159 Å²	159	155 Å²	155	83%	0.832	78%	0.782	S	S	*	*			trans	80.9	147.3	170.2	-53.5	-178.2	0	0	0	116.7
634	N	27.9	Very low	28.1	Very low	138 Å²	138	158.6 Å²	158.6	74%	0.738	79%	0.788	S	S	*	*			cis	-171.8	-172.2	-18.7	-175.5	23.7	0	0	0	108.1
635	E	26.4	Very low	27.3	Very low	134 Å²	134	161.3 Å²	161.3	63%	0.626	79%	0.791	S	S	*	*			trans	92.9	135.2	160.6	-53.2	-158.1	136	0	0	116.1
636	K	24.8	Very low	27.3	Very low	167 Å²	167	161.9 Å²	161.9	73%	0.726	79%	0.793	S	S	*	*			cis	-151.2	155.4	5.2	-125	155.6	-170.2	145.6	0	112.1
637	W	23.9	Very low	27	Very low	242 Å²	242	159.8 Å²	159.8	92%	0.917	80%	0.797	S	S	*	*			trans	-92.4	172.9	172.2	-93.9	72.6	0	0	0	112.2
638	Q	24	Very low	26.8	Very low	177 Å²	177	159.1 Å²	159.1	83%	0.827	80%	0.804	S	S	*	*			trans	86.6	133	-179.7	-55.3	173.8	-8.7	0	0	113.2
639	D	25.1	Very low	26.5	Very low	151 Å²	151	158 Å²	158	81%	0.807	80%	0.801	S	S	*	*			cis	-143.6	171.8	27.8	-128.8	-35.1	0	0	0	115.2
640	H	27.6	Very low	26.2	Very low	178 Å²	178	159.2 Å²	159.2	82%	0.824	80%	0.803	S	S	*	*			trans	-96.1	161.8	179.4	-78.8	-42.2	0	0	0	114.8
641	R	23.5	Very low	25.9	Very low	223 Å²	223	154.9 Å²	154.9	84%	0.842	80%	0.796	S	S	*	*				118.3	111.8	126.5	-171.1	-174.9	-100.7	179.4	-5.5	118.7
642	R	24.3	Very low	26.9	Very low	233 Å²	233	155 Å²	155	88%	0.879	80%	0.796	S	S	*	*			trans	64.4	151.5	160.9	-68.4	-179.6	176.1	-168.1	-2.6	115.7
643	S	24.3	Very low	26.7	Very low	109 Å²	109	160 Å²	160	76%	0.762	81%	0.809	S	S	*	*			cis	-152.7	178.2	19.1	-132.8	0	0	0	0	112.1
644	L	25	Very low	26.6	Very low	161 Å²	161	156 Å²	156	84%	0.843	81%	0.806	S	S	*	*			trans	-79.7	151	169.4	-65.4	87.6	0	0	0	112.3
645	E	24.8	Very low	26.5	Very low	174 Å²	174	153.3 Å²	153.3	81%	0.813	81%	0.81	S	S	*	*				164.2	116.1	125.8	-89.7	177.5	-164.1	0	0	108.9
646	L	26.5	Very low	26.4	Very low	153 Å²	153	151.3 Å²	151.3	80%	0.801	82%	0.817	S	S	*	*				81.4	156.7	81.9	-98.8	173	0	0	0	115.1
647	N	23.4	Very low	26.4	Very low	151 Å²	151	148.6 Å²	148.6	81%	0.807	82%	0.819	S	S	*	*			trans	78.6	149.7	-166.6	-47.2	-72.8	0	0	0	113.7
648	M	23.6	Very low	26.5	Very low	180 Å²	180	146.1 Å²	146.1	89%	0.887	82%	0.818	S	S	*	*			cis	-124.8	174.6	9	-74.1	179.2	61.4	0	0	113.4
649	A	24.4	Very low	26.7	Very low	80 Å²	80	146.2 Å²	146.2	66%	0.661	82%	0.818	S	S	*	*			trans	-126	177.9	172.4	0	0	0	0	0	110.9
650	V	26.3	Very low	27.5	Very low	148 Å²	148	144.1 Å²	144.1	90%	0.897	81%	0.813	S	S	*	*			trans	69.1	116.1	171.5	-173.4	0	0	0	0	113.3
651	G	25	Very low	27.7	Very low	66 Å²	66	144.2 Å²	144.2	68%	0.68	81%	0.814	S	S	*	*				120.3	152.5	61.4	0	0	0	0	0	108.3
652	P	55.8	Low	28.1	Very low	132 Å²	132	138 Å²	138	86%	0.857	81%	0.81	S	S	*	*			trans	-106.9	139	-161.4	37.4	-31.9	0	0	0	116
653	E	25.7	Very low	28.3	Very low	204 Å²	204	130.6 Å²	130.6	95%	0.953	81%	0.806	S	S	*	*			trans	-140.2	152.5	148	-71.8	-166.2	174.4	0	0	107.8
654	G	26.6	Very low	28.5	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	81%	0.808	S	S	*	*			cis	168.1	125.1	-5.7	0	0	0	0	0	111.7
655	G	25.5	Very low	29	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	81%	0.814	S	S	*	*			trans	70.4	179.7	179.3	0	0	0	0	0	114.9
656	A	24.7	Very low	29.2	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	81%	0.81	S	S	*	*			cis	-156.4	148.9	-14.8	0	0	0	0	0	110.9
657	S	24.5	Very low	30.2	Very low	111 Å²	111	124.8 Å²	124.8	78%	0.776	81%	0.809	S	S	*	*			trans	19.7	150.1	134.1	-40.3	0	0	0	0	120.3
658	Q	26.6	Very low	30.4	Very low	190 Å²	190	123.1 Å²	123.1	89%	0.888	81%	0.808	S	S	*	*			cis	-154.3	159.7	45.7	-73.2	176.7	-22.5	0	0	115.3
659	E	26.9	Very low	30.6	Very low	178 Å²	178	120.5 Å²	120.5	83%	0.832	80%	0.802	S	S	*	*			trans	-60.3	-170.2	160.1	-53.7	179.5	111.8	0	0	112.7
660	P	43	Very low	30.9	Very low	107 Å²	107	124.3 Å²	124.3	70%	0.695	81%	0.811	S	S	*	*			cis	-137.2	-170.7	5.4	39.3	-15.9	0	0	0	114
661	Q	32.5	Very low	31	Very low	180 Å²	180	120.5 Å²	120.5	84%	0.841	80%	0.802	S	S	*	*			cis	-162.1	179.6	-3.4	-127	166.4	39.4	0	0	106.7
662	A	31.6	Very low	31.2	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	81%	0.809	S	S	*	*			cis	-161.3	176.7	-0.8	0	0	0	0	0	106.7
663	G	27.5	Very low	29.9	Very low	77 Å²	77	128 Å²	128	79%	0.794	81%	0.808	S	S	*	*			cis	162.4	167.5	-6.3	0	0	0	0	0	112.4
664	G	29	Very low	30	Very low	79 Å²	79	122.8 Å²	122.8	81%	0.814	79%	0.794	S	S	*	*			trans	92	138.4	-177.3	0	0	0	0	0	113.2
665	E	35.1	Very low	30	Very low	207 Å²	207	127.2 Å²	127.2	97%	0.967	79%	0.794	S	S	*	*			cis	-135.9	-178.8	5.3	-58.4	-177.5	121.5	0	0	111
666	G	29.6	Very low	30.1	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	80%	0.795	S	S	*	*			trans	173.8	-168	178	0	0	0	0	0	112.6
667	P	47.5	Very low	30.1	Very low	120 Å²	120	130.5 Å²	130.5	78%	0.779	80%	0.797	S	S	*	*			cis	-123.7	152.2	-3.3	40.8	-26.2	0	0	0	114
668	C	26.1	Very low	30.1	Very low	116 Å²	116	132.9 Å²	132.9	78%	0.784	80%	0.801	S	S	*	*				85	170.4	70.2	-51.3	0	0	0	0	117.3
669	T	28.8	Very low	30.1	Very low	124 Å²	124	131 Å²	131	76%	0.761	80%	0.797	S	S	*	*			trans	88.8	139.8	176.9	69.1	0	0	0	0	117.4
670	D	31.2	Very low	30	Very low	161 Å²	161	130 Å²	130	86%	0.861	79%	0.793	S	S	*	*			cis	-160.8	176.5	-13.9	-96.4	-20.8	0	0	0	108.3
671	G	27.8	Very low	29.5	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	80%	0.801	S	S	*	*			cis	-165.4	-135.6	11.6	0	0	0	0	0	112.8
672	Q	29.4	Very low	30.5	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	79%	0.794	S	S	*	*			trans	-150.1	178.6	-171.9	-64.5	-174.4	-50.8	0	0	115.7
673	Q	27.6	Very low	30.2	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	80%	0.797	S	S	*	*			trans	88.1	145.6	160.1	-60.6	176	13.7	0	0	118.2
674	S	27.6	Very low	30.4	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	79%	0.793	S	S	*	*			cis	-171.1	159.4	-15.6	51.4	0	0	0	0	113.4
675	E	28	Very low	30.4	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	79%	0.785	S	S	*	*			trans	70.6	140.1	154.7	-75.9	-165.2	126.3	0	0	123.7
676	L	26.5	Very low	30.1	Very low	164 Å²	164	139.2 Å²	139.2	86%	0.859	78%	0.779	S	S	*	*			trans	56.8	136.9	148.3	-64.7	166.6	0	0	0	121.7
677	G	24.9	Very low	30.1	Very low	78 Å²	78	140.4 Å²	140.4	80%	0.804	78%	0.782	S	S	*	*			trans	138.3	119.1	154.8	0	0	0	0	0	115.9
678	D	25.9	Very low	29.3	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	78%	0.781	S	S	*	*			trans	-80.2	140	165.2	-173.8	22.1	0	0	0	109.4
679	D	24.9	Very low	29.3	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	78%	0.784	S	S	*	*			trans	-157.5	153.4	173.7	-144.1	-18.8	0	0	0	114.6
680	Q	25.3	Very low	29.3	Very low	158 Å²	158	143.9 Å²	143.9	74%	0.738	78%	0.781	S	S	*	*			trans	-119	109.2	-174	-69.7	-174	-2.4	0	0	113.2
681	Q	33.8	Very low	29.3	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	77%	0.77	S	S	*	*			trans	56.5	-152.8	173.1	-44.2	-173.8	-87.3	0	0	111
682	P	53.1	Low	29.3	Very low	108 Å²	108	145.9 Å²	145.9	70%	0.701	77%	0.771	S	S	*	*			cis	-116.6	-170.4	-40.4	37.7	-24	0	0	0	111.4
683	R	25.1	Very low	29.3	Very low	216 Å²	216	141.8 Å²	141.8	82%	0.815	77%	0.768	S	S	*	*			trans	-136.6	111.6	144.5	-90.8	-159.9	153.6	141.8	8.7	108.5
684	E	30.5	Very low	29.4	Very low	154 Å²	154	140.9 Å²	140.9	72%	0.72	77%	0.768	S	S	*	*				80.1	133.3	93.9	-76	-175.9	131	0	0	111.6
685	S	30.2	Very low	29.4	Very low	92 Å²	92	142 Å²	142	64%	0.643	77%	0.771	S	S	*	*			cis	-160.6	168.6	27.5	67.2	0	0	0	0	115.6
686	Q	27.8	Very low	29.6	Very low	181 Å²	181	139.4 Å²	139.4	85%	0.846	77%	0.771	S	S	*	*			trans	82	100.4	152.2	-69.3	173.8	25.6	0	0	122.9
687	A	30.4	Very low	30.5	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	77%	0.769	S	S	*	*				70.1	86.3	117.2	0	0	0	0	0	122.9
688	A	30.5	Very low	30.9	Very low	93 Å²	93	143.3 Å²	143.3	77%	0.769	78%	0.775	S	S	*	*				37.8	128.2	128	0	0	0	0	0	122.9
689	F	26.5	Very low	30.9	Very low	191 Å²	191	139.9 Å²	139.9	84%	0.838	78%	0.777	S	S	*	*				-165.3	168	107.9	-115.8	-87.1	0	0	0	112.6
690	Q	29.2	Very low	30.9	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	77%	0.774	S	S	*	*			trans	-37.6	161.3	176.4	-76.2	173.1	-66.1	0	0	119.2
691	Q	30.5	Very low	32.7	Very low	137 Å²	137	134.9 Å²	134.9	64%	0.64	78%	0.78	S	S	*	*			cis	-176	147.9	-5.9	166	170.8	-1	0	0	113.3
692	D	28.1	Very low	32.4	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	78%	0.784	S	S	*	*			trans	51.8	143.1	158.5	-63.2	-29.1	0	0	0	125.4
693	A	29.5	Very low	31.6	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	79%	0.793	S	S	*	*			trans	73.6	150.7	147.2	0	0	0	0	0	121.1
694	L	28.5	Very low	31.6	Very low	159 Å²	159	134.4 Å²	134.4	83%	0.832	80%	0.795	S	S	*	*			cis	-172.4	171.7	-30.6	-141.8	152.7	0	0	0	108.3
695	V	27.4	Very low	31.6	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	80%	0.801	S	S	*	*			trans	83.8	129.9	164.6	-174.4	0	0	0	0	118.5
696	S	33.5	Very low	31.5	Very low	113 Å²	113	138 Å²	138	79%	0.79	81%	0.806	S	S	*	*			trans	-112.4	157	154.8	-47	0	0	0	0	109.5
697	P	44.8	Very low	31.3	Very low	123 Å²	123	134 Å²	134	80%	0.799	80%	0.798	S	S	*	*			trans	-137.1	174.5	142.4	36.6	-22.8	0	0	0	114.2
698	E	32.7	Very low	31.2	Very low	201 Å²	201	136.4 Å²	136.4	94%	0.939	80%	0.803	S	S	*	*			trans	-86.2	166.9	-173.5	-56.9	158.2	118.9	0	0	113.1
699	G	26.1	Very low	31.4	Very low	88 Å²	88	138.1 Å²	138.1	91%	0.907	80%	0.803	S	S	*	*			trans	172.4	140.5	167.2	0	0	0	0	0	116.2
700	G	25.5	Very low	31.7	Very low	72 Å²	72	136 Å²	136	74%	0.742	81%	0.805	S	S	*	*			trans	174.8	-172.9	169.1	0	0	0	0	0	108.3
701	P	63.6	Low	31.7	Very low	131 Å²	131	132.1 Å²	132.1	85%	0.851	81%	0.806	S	S	*	*			cis	-110	174.3	-24.5	40.2	-29.3	0	0	0	111.4
702	E	28.2	Very low	31.8	Very low	203 Å²	203	133.5 Å²	133.5	95%	0.949	82%	0.815	S	S	*	*			trans	-158.2	157.1	160.7	-135	165.3	-147.8	0	0	112.7
703	E	34.5	Very low	32.1	Very low	192 Å²	192	131.3 Å²	131.3	90%	0.897	82%	0.815	S	S	*	*			trans	-105.9	146.7	-176.6	-59.8	176.3	131.2	0	0	111.8
704	A	26.8	Very low	32.3	Very low	105 Å²	105	135.1 Å²	135.1	87%	0.868	82%	0.816	S	S	*	*			trans	-157.4	135.5	162.7	0	0	0	0	0	111.4
705	E	29.9	Very low	32.6	Very low	179 Å²	179	129.7 Å²	129.7	84%	0.836	80%	0.799	S	S	*	*			trans	-95.8	175.3	179.2	-63.5	-168.5	108.9	0	0	114.2
706	L	27.5	Very low	33	Very low	141 Å²	141	130.7 Å²	130.7	74%	0.738	80%	0.796	S	S	*	*			trans	90.3	113.9	141.5	-85.3	158.1	0	0	0	121.7
707	S	24.6	Very low	33.1	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	78%	0.783	S	S	*	*			trans	75.9	106.7	136.9	68.3	0	0	0	0	121
708	V	26.8	Very low	32.8	Very low	144 Å²	144	131.3 Å²	131.3	87%	0.873	78%	0.777	S	S	*	*				-140.3	137.9	111.6	-179.8	0	0	0	0	108
709	V	34.7	Very low	33.1	Very low	128 Å²	128	126.2 Å²	126.2	78%	0.776	76%	0.756	S	S	*	*			trans	-138.6	165.1	174.7	-175.5	0	0	0	0	108.3
710	V	32.8	Very low	33.9	Very low	146 Å²	146	127 Å²	127	89%	0.885	74%	0.738	S	S	*	*			trans	79.2	119.6	177	-167.4	0	0	0	0	114
711	G	29.1	Very low	34.5	Very low	69 Å²	69	129.1 Å²	129.1	71%	0.711	73%	0.732	S	S	*	*	S	Bend	trans	154.2	-21.7	171.3	0	0	0	0	0	117
712	M	32.4	Very low	33.2	Very low	167 Å²	167	128.1 Å²	128.1	82%	0.823	72%	0.716	S	S	*	*	S	Bend	trans	-109.8	-7.2	-171.5	-61.6	-172.6	75.7	0	0	115.7
713	A	34.4	Very low	33.7	Very low	86 Å²	86	124.8 Å²	124.8	71%	0.711	70%	0.7	S	S	*	*	S	Bend	trans	-80.5	-30	-172.3	0	0	0	0	0	114.6
714	E	33.7	Very low	33.8	Very low	173 Å²	173	119.1 Å²	119.1	81%	0.808	69%	0.687	S	S	*	*	S	Bend	trans	-76.7	-39.7	-174	-64.1	176.4	140.4	0	0	111.8	Q716 M717	E714-Q716 VanDerWaalsContact C-N 3.27Å; E714-Q716 PolarHBondContact O-N 3.18Å; E714-M717 PolarHBondContact O-N 2.89Å
715	G	35.3	Very low	34.2	Very low	45 Å²	45	118.7 Å²	118.7	46%	0.464	67%	0.673	S	S	.	*	H	α-helix	trans	-68.8	-13.6	-176.2	0	0	0	0	0	116	N719	G715-N719 PolarHBondContact O-ND2 3.35Å
716	Q	36.7	Very low	34.6	Very low	139 Å²	139	116.6 Å²	116.6	65%	0.65	66%	0.663	S	S	*	*	H	α-helix	trans	-85.9	-20.4	174.8	-65.4	-163.1	-91.1	0	0	113	E714 I720	E714-Q716 VanDerWaalsContact C-N 3.27Å; E714-Q716 PolarHBondContact O-N 3.18Å; Q716-I720 WeakPolarHBondContact O-CG1 3.44Å; Q716-I720 PolarHBondContact O-N 2.79Å
717	M	35.1	Very low	34.9	Very low	108 Å²	108	118.9 Å²	118.9	53%	0.532	67%	0.671	S	S	.	*	H	α-helix	trans	-76.5	-35.4	-175.1	-157.1	165	-160.8	0	0	112.7	W242 E714 L721	W242-M717 HydrophobicContact CH2-CE 3.97Å; E714-M717 PolarHBondContact O-N 2.89Å; M717-L721 WeakPolarHBondContact O-CG 3.43Å; M717-L721 PolarHBondContact O-N 2.84Å
718	E	37.6	Very low	35.4	Very low	142 Å²	142	120.4 Å²	120.4	66%	0.664	68%	0.676	S	S	*	*	H	α-helix	trans	-67.3	-40.2	172.2	-82.3	-174.1	132.4	0	0	112.6	I720 L721 Q722	E718-I720 PolarHBondContact O-N 3.08Å; E718-L721 PolarHBondContact O-N 3.03Å; E718-Q722 PolarHBondContact O-N 3.25Å
719	N	39.8	Very low	35.7	Very low	94 Å²	94	116.6 Å²	116.6	50%	0.503	67%	0.666	S	S	.	*	H	α-helix	trans	-63.4	-42.7	-179.8	-78.4	-78.9	0	0	0	111.8	G715 L721 Q722 E723	G715-N719 PolarHBondContact O-ND2 3.35Å; N719-L721 VanDerWaalsContact C-N 3.3Å; N719-L721 PolarHBondContact O-N 3.1Å; N719-Q722 PolarHBondContact O-N 3.29Å; N719-Q722 VanDerWaalsContact O-N 3.12Å; N719-E723 PolarHBondContact O-N 2.74Å
720	I	42.8	Very low	35.6	Very low	104 Å²	104	114.7 Å²	114.7	53%	0.533	66%	0.663	S	S	.	*	H	α-helix	trans	-64.8	-34.7	177.4	-66.4	167.8	0	0	0	111.5	Q716 E718 A724	Q716-I720 WeakPolarHBondContact O-CG1 3.44Å; Q716-I720 PolarHBondContact O-N 2.79Å; E718-I720 PolarHBondContact O-N 3.08Å; I720-A724 VanDerWaalsContact O-CB 3.24Å; I720-A724 WeakPolarHBondContact O-CB 3.27Å; I720-A724 PolarHBondContact O-N 3.38Å; I720-A724 VanDerWaalsContact O-N 3.1Å
721	L	38.1	Very low	35.6	Very low	117 Å²	117	115.3 Å²	115.3	61%	0.613	66%	0.662	S	S	*	*	H	α-helix	trans	-71.7	-28.3	174.4	-70.5	168.5	0	0	0	112.8	M717 E718 N719 T725	M717-L721 WeakPolarHBondContact O-CG 3.43Å; M717-L721 PolarHBondContact O-N 2.84Å; E718-L721 PolarHBondContact O-N 3.03Å; N719-L721 VanDerWaalsContact C-N 3.3Å; N719-L721 PolarHBondContact O-N 3.1Å; L721-T725 PolarHBondContact O-OG1 3.17Å
722	Q	35.5	Very low	35.6	Very low	110 Å²	110	122 Å²	122	51%	0.514	67%	0.672	S	S	.	*	H	α-helix	trans	-79.8	-40	173.9	-74.5	-173.5	-8.4	0	0	113	E718 N719 T725 Q726	E718-Q722 PolarHBondContact O-N 3.25Å; N719-Q722 PolarHBondContact O-N 3.29Å; N719-Q722 VanDerWaalsContact O-N 3.12Å; Q722-T725 WeakPolarHBondContact CA-OG1 3.48Å; Q722-T725 CarbonylContact O-C 3.48Å; Q722-T725 PolarHBondContact O-N 3.4Å; Q722-T725 VanDerWaalsContact O-N 3.11Å; Q722-T725 PolarHBondContact O-OG1 3.14Å; Q722-T725 VanDerWaalsContact O-OG1 3.12Å; Q722-Q726 WeakPolarHBondContact O-CG 3.44Å; Q722-Q726 PolarHBondContact O-N 3.02Å; Q722-Q726 VanDerWaalsContact O-N 3.13Å
723	E	40.5	Very low	35.3	Very low	132 Å²	132	123.8 Å²	123.8	62%	0.617	68%	0.678	S	S	*	*	H	α-helix	trans	-63	-43.4	173.9	-71.6	-178.3	149.5	0	0	110.9	N719 T725 Q726 E727	N719-E723 PolarHBondContact O-N 2.74Å; E723-T725 PolarHBondContact O-N 3.06Å; E723-Q726 PolarHBondContact O-N 2.68Å; E723-E727 PolarHBondContact O-N 2.89Å
724	A	35.6	Very low	34.9	Very low	74 Å²	74	122.9 Å²	122.9	61%	0.612	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-9.2	174.2	0	0	0	0	0	114.7	I720	I720-A724 VanDerWaalsContact O-CB 3.24Å; I720-A724 WeakPolarHBondContact O-CB 3.27Å; I720-A724 PolarHBondContact O-N 3.38Å; I720-A724 VanDerWaalsContact O-N 3.1Å
725	T	36.1	Very low	34.6	Very low	96 Å²	96	124.1 Å²	124.1	59%	0.589	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	3.7	173.9	47	0	0	0	0	113.8	L721 Q722 E723	L721-T725 PolarHBondContact O-OG1 3.17Å; Q722-T725 WeakPolarHBondContact CA-OG1 3.48Å; Q722-T725 CarbonylContact O-C 3.48Å; Q722-T725 PolarHBondContact O-N 3.4Å; Q722-T725 VanDerWaalsContact O-N 3.11Å; Q722-T725 PolarHBondContact O-OG1 3.14Å; Q722-T725 VanDerWaalsContact O-OG1 3.12Å; E723-T725 PolarHBondContact O-N 3.06Å
726	Q	37	Very low	34.1	Very low	134 Å²	134	133.5 Å²	133.5	63%	0.626	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-27	174.8	-75.1	-177.7	17.8	0	0	113.9	Q722 E723 T728 G729	Q722-Q726 WeakPolarHBondContact O-CG 3.44Å; Q722-Q726 PolarHBondContact O-N 3.02Å; Q722-Q726 VanDerWaalsContact O-N 3.13Å; E723-Q726 PolarHBondContact O-N 2.68Å; Q726-T728 PolarHBondContact O-N 3.23Å; Q726-T728 VanDerWaalsContact O-N 3.11Å; Q726-G729 PolarHBondContact O-N 3.19Å
727	E	33.7	Very low	33.8	Very low	190 Å²	190	133 Å²	133	89%	0.888	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-11	176.6	-68.9	-158.9	140.4	0	0	114.4	E723	E723-E727 PolarHBondContact O-N 2.89Å
728	T	36	Very low	33.2	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	1.1	173.1	51.4	0	0	0	0	113.9	Q726	Q726-T728 PolarHBondContact O-N 3.23Å; Q726-T728 VanDerWaalsContact O-N 3.11Å
729	G	33.7	Very low	32.7	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	74%	0.737	S	S	*	*	S	Bend	trans	-119.3	6.5	-161.8	0	0	0	0	0	118	Q726	Q726-G729 PolarHBondContact O-N 3.19Å
730	A	31.1	Very low	32.1	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	75%	0.754	S	S	*	*			trans	-150.2	81.5	-169.9	0	0	0	0	0	116.1
731	D	32.8	Very low	31.4	Very low	159 Å²	159	131.3 Å²	131.3	85%	0.85	77%	0.769	S	S	*	*			trans	-166.7	74.4	142.1	-125.1	-13.9	0	0	0	114.2
732	F	29.7	Very low	30.8	Very low	210 Å²	210	129.8 Å²	129.8	92%	0.921	77%	0.774	S	S	*	*			trans	-153.8	54.7	171.3	-116.1	-65.1	0	0	0	116.3
733	Q	26	Very low	30.4	Very low	205 Å²	205	133.2 Å²	133.2	96%	0.958	79%	0.789	S	S	*	*			trans	-158.9	114.6	153.8	-122.5	163.4	77.8	0	0	115.6
734	G	26.1	Very low	29.6	Very low	67 Å²	67	132 Å²	132	69%	0.691	79%	0.791	S	S	*	*			trans	112.3	82.8	142.6	0	0	0	0	0	119.1
735	Q	27.7	Very low	29.1	Very low	199 Å²	199	137 Å²	137	93%	0.93	80%	0.801	S	S	*	*				-158.2	136.8	126.3	-113.7	158.2	95.3	0	0	113.5
736	R	25.4	Very low	28.6	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-98.3	142.4	168.4	-75.1	176.1	169.1	168.7	-4.7	109.4
737	P	28.9	Very low	28.1	Very low	128 Å²	128	142.2 Å²	142.2	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-97.4	158.3	137.6	32.6	-28.2	0	0	0	110.7
738	A	24	Very low	27.7	Very low	102 Å²	102	142.2 Å²	142.2	84%	0.843	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.2	146.6	-173.1	0	0	0	0	0	113.2
739	A	26.3	Very low	27.4	Very low	105 Å²	105	144.8 Å²	144.8	87%	0.868	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79.8	132.8	167.2	0	0	0	0	0	110.8
740	A	27.1	Very low	27.3	Very low	104 Å²	104	147.2 Å²	147.2	86%	0.86	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.2	140.2	162.8	0	0	0	0	0	109.3
741	A	27.5	Very low	27.2	Very low	103 Å²	103	151 Å²	151	85%	0.851	83%	0.829	S	S	*	*			trans	-106.8	144.4	-167.9	0	0	0	0	0	113.6
742	A	25.9	Very low	26.8	Very low	85 Å²	85	148 Å²	148	70%	0.702	82%	0.82	S	S	*	*			trans	-156.7	105.4	153.1	0	0	0	0	0	111.2
743	H	26.6	Very low	26.8	Very low	181 Å²	181	147 Å²	147	84%	0.838	82%	0.818	S	S	*	*			trans	39.6	154.1	135.7	-60.6	-67.2	0	0	0	123.4
744	T	25.7	Very low	26.8	Very low	107 Å²	107	140.4 Å²	140.4	66%	0.656	81%	0.806	S	S	*	*			cis	-180	169.2	-22.6	-85.1	0	0	0	0	105.1
745	E	25	Very low	27.2	Very low	178 Å²	178	146 Å²	146	83%	0.832	81%	0.814	S	S	*	*			trans	87.6	104.2	179.7	-51.8	-163.6	154.5	0	0	113.6
746	V	25.1	Very low	27.4	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	80%	0.802	S	S	*	*			cis	75.2	97.6	33.9	-167.9	0	0	0	0	114.3
747	K	25.5	Very low	28.3	Very low	211 Å²	211	135.5 Å²	135.5	92%	0.917	79%	0.792	S	S	*	*				-147.3	150.3	125.4	-111.2	168.7	-175.3	176.3	0	110.9
748	K	26.5	Very low	28.4	Very low	191 Å²	191	134.7 Å²	134.7	83%	0.83	79%	0.785	S	S	*	*			trans	-140.7	-165.7	-172.6	-157.1	-168	177.6	-171.4	0	107.6
749	E	28.8	Very low	28.6	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	78%	0.782	S	S	*	*			trans	81.6	144.6	170.4	-52.1	173.5	176.5	0	0	113.6
750	V	31.4	Very low	28.8	Very low	116 Å²	116	138.7 Å²	138.7	70%	0.703	77%	0.77	S	S	*	*			cis	-155.2	162.2	-2.6	93.7	0	0	0	0	107.2
751	E	28.6	Very low	28.9	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	76%	0.759	S	S	*	*			cis	-141.3	-158.3	10.9	-136.4	131.9	-110.1	0	0	107.3
752	S	25.1	Very low	28.9	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	75%	0.746	S	S	*	*			cis	-150.1	146.9	-10	60.2	0	0	0	0	107
753	E	29.6	Very low	29	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	74%	0.743	S	S	*	*				46.6	129.6	92.7	-45.3	-164.4	153.3	0	0	117.6
754	G	26.8	Very low	29.1	Very low	67 Å²	67	141.6 Å²	141.6	69%	0.691	73%	0.734	S	S	*	*			cis	173.7	173	-7.8	0	0	0	0	0	115.5
755	E	33.1	Very low	29.2	Very low	185 Å²	185	143 Å²	143	86%	0.864	74%	0.736	S	S	*	*			trans	56.2	149	148.6	-62.9	-152.7	133.9	0	0	121.4
756	T	31.9	Very low	29.2	Very low	110 Å²	110	140 Å²	140	68%	0.675	73%	0.73	S	S	*	*			cis	-166.2	179.4	-1.4	24.8	0	0	0	0	107.8
757	P	45.9	Very low	29.3	Very low	109 Å²	109	139.1 Å²	139.1	71%	0.708	73%	0.725	S	S	*	*			cis	-116.9	-137.8	-32.3	25.3	-0.6	0	0	0	108.4
758	T	29.6	Very low	29.4	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	72%	0.72	S	S	*	*			cis	-158.3	144.1	-0.3	-11.5	0	0	0	0	111.5
759	M	28.7	Very low	29.4	Very low	157 Å²	157	130.6 Å²	130.6	77%	0.773	72%	0.715	S	S	*	*			trans	11.7	154.5	132.9	-69.7	171.9	155.4	0	0	122.4
760	E	30	Very low	29.3	Very low	134 Å²	134	131.3 Å²	131.3	63%	0.626	72%	0.717	S	S	*	*			cis	-173.8	-176.2	-26.2	-123.9	-171.5	118.4	0	0	105.9	Q762	E760-Q762 PolarHBondContact OE1-NE2 3.31Å; E760-Q762 VanDerWaalsContact OE1-NE2 3.09Å
761	T	29	Very low	29.2	Very low	101 Å²	101	134.4 Å²	134.4	62%	0.62	72%	0.724	S	S	*	*			cis	-158.2	152.8	15.5	-7.1	0	0	0	0	110.4
762	Q	28.9	Very low	30	Very low	124 Å²	124	131.5 Å²	131.5	58%	0.579	72%	0.719	S	S	*	*				30.4	150.2	125.3	-61.6	178.5	43.9	0	0	121.1	E760	E760-Q762 PolarHBondContact OE1-NE2 3.31Å; E760-Q762 VanDerWaalsContact OE1-NE2 3.09Å
763	R	27.8	Very low	30.2	Very low	169 Å²	169	133 Å²	133	64%	0.638	72%	0.72	S	S	*	*			cis	-176.4	151.9	5.1	-119.5	177.8	159.8	128.9	-6.4	110.9
764	E	28.1	Very low	30.1	Very low	140 Å²	140	130.4 Å²	130.4	65%	0.654	71%	0.712	S	S	*	*			trans	58.7	159.4	137.9	-68.9	166.4	-163.4	0	0	118.9
765	I	27.3	Very low	30.1	Very low	137 Å²	137	132.3 Å²	132.3	70%	0.703	72%	0.715	S	S	*	*			cis	-163.5	153.1	-3.6	-123.3	168.8	0	0	0	112.1
766	V	26.5	Very low	30	Very low	115 Å²	115	132 Å²	132	70%	0.697	71%	0.714	S	S	*	*			trans	74.3	110.6	148.3	160.6	0	0	0	0	123.7
767	T	26.7	Very low	29.9	Very low	109 Å²	109	134.8 Å²	134.8	67%	0.669	72%	0.721	S	S	*	*			trans	68.3	137.7	135.3	66.9	0	0	0	0	125.9
768	N	27.6	Very low	29.2	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	73%	0.725	S	S	*	*			trans	58.5	106.5	135.6	-61.8	2.4	0	0	0	121.5
769	G	25.9	Very low	29.2	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	72%	0.723	S	S	*	*				114.1	127	92.3	0	0	0	0	0	120
770	H	26.6	Very low	29.3	Very low	198 Å²	198	137.6 Å²	137.6	92%	0.917	73%	0.728	S	S	*	*			trans	77.5	138.7	157.3	-75.5	72.7	0	0	0	121.6
771	H	29.9	Very low	29.6	Very low	181 Å²	181	138.2 Å²	138.2	84%	0.838	74%	0.736	S	S	*	*			trans	-58.7	169.5	163.3	-90.2	-76.1	0	0	0	113.1
772	P	45.6	Very low	29.7	Very low	105 Å²	105	140.7 Å²	140.7	68%	0.682	75%	0.745	S	S	*	*			cis	-151.1	-176	38.6	44.8	-23.6	0	0	0	120
773	D	28.4	Very low	29.9	Very low	127 Å²	127	138.2 Å²	138.2	68%	0.679	75%	0.753	S	S	*	*			trans	55.6	114.2	147.6	-79.9	-58.3	0	0	0	124.7
774	N	27.2	Very low	30	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	76%	0.762	S	S	*	*				45.5	130.6	117.6	-75.2	-49.3	0	0	0	123.8
775	S	27.8	Very low	30.1	Very low	106 Å²	106	135 Å²	135	74%	0.741	76%	0.759	S	S	*	*			trans	66.5	146	140.7	67.5	0	0	0	0	119.6
776	E	31.2	Very low	30.4	Very low	180 Å²	180	132.6 Å²	132.6	84%	0.841	76%	0.76	S	S	*	*			cis	-164.6	-164.5	-14.9	-122.6	179.7	-179.6	0	0	108.4
777	M	30.1	Very low	31.2	Very low	167 Å²	167	133 Å²	133	82%	0.823	77%	0.765	S	S	*	*			trans	72.8	139.3	164.3	-81.9	-176.8	145.4	0	0	117.7
778	E	29.4	Very low	31.3	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.804	76%	0.758	S	S	*	*			cis	-139.7	-175.7	-7	-48.2	-173.2	102.8	0	0	107.7
779	A	31.3	Very low	32.1	Very low	77 Å²	77	128.5 Å²	128.5	64%	0.636	74%	0.74	S	S	*	*			cis	-160.6	172.4	4	0	0	0	0	0	110.5
780	E	31.1	Very low	32.1	Very low	189 Å²	189	129 Å²	129	88%	0.883	73%	0.733	S	S	*	*			trans	44.7	150.1	144.9	-67.8	171.8	-160.3	0	0	123.3
781	D	35	Very low	32	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	72%	0.722	S	S	*	*			cis	-167.8	173.9	-30.3	-158.5	2.3	0	0	0	109.3
782	D	32.4	Very low	31.7	Very low	154 Å²	154	125.1 Å²	125.1	82%	0.824	72%	0.716	S	S	*	*			trans	61.7	135.9	-179.3	-73.3	-46	0	0	0	115.6
783	G	32.4	Very low	31	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	72%	0.718	S	S	*	*			cis	117.7	134.7	18.5	0	0	0	0	0	109.1
784	D	30.5	Very low	31	Very low	154 Å²	154	129 Å²	129	82%	0.824	72%	0.721	S	S	*	*			cis	-156.5	169.3	-3.5	-165.2	39.1	0	0	0	105.7
785	S	29.6	Very low	31	Very low	86 Å²	86	129.4 Å²	129.4	60%	0.601	72%	0.723	S	S	*	*			cis	-158.2	136.5	19.8	-144.9	0	0	0	0	108.9
786	A	33.6	Very low	30.9	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	72%	0.72	S	S	*	*				89.2	152.3	103.8	0	0	0	0	0	116.8
787	P	43.8	Very low	30.8	Very low	124 Å²	124	129.3 Å²	129.3	81%	0.805	71%	0.714	S	S	*	*			trans	-134.2	-165.9	-134.4	43.3	-26	0	0	0	117.9
788	L	27.5	Very low	30.8	Very low	97 Å²	97	128.7 Å²	128.7	51%	0.508	71%	0.709	S	S	.	*			trans	-60.1	178	171.4	-42.2	160.7	0	0	0	112.5	R914	L788-R914 HydrophobicContact CD1-CB 3.75Å; L788-R914 HydrophobicContact CD2-CB 4.28Å
789	P	45.7	Very low	30.7	Very low	72 Å²	72	128.6 Å²	128.6	47%	0.468	71%	0.708	S	S	.	*			cis	-146.6	-161.7	7.3	39.9	-16	0	0	0	117	S915 Q916	P789-S915 WeakPolarHBondContact CB-O 3.22Å; P789-Q916 VanDerWaalsContact CG-O 3.27Å; P789-Q916 WeakPolarHBondContact CG-O 3.38Å
790	S	24.3	Very low	31.3	Very low	80 Å²	80	130.5 Å²	130.5	56%	0.559	72%	0.715	S	S	*	*			trans	77.8	129.5	136.8	66.6	0	0	0	0	125.1
791	Q	24.3	Very low	31.1	Very low	147 Å²	147	127.3 Å²	127.3	69%	0.687	70%	0.703	S	S	*	*			trans	77.2	141.3	133.8	-82.6	166.8	-96.1	0	0	124.4
792	E	25.1	Very low	30.8	Very low	150 Å²	150	125.4 Å²	125.4	70%	0.701	69%	0.693	S	S	*	*			trans	76.1	113.9	141.4	-79.1	157.7	-150.5	0	0	123.9
793	E	29.6	Very low	30.6	Very low	157 Å²	157	125.7 Å²	125.7	73%	0.734	69%	0.69	S	S	*	*				60.1	145.9	125.2	-82	-165.4	-156.3	0	0	125.1
794	Q	28.3	Very low	30.3	Very low	158 Å²	158	127.3 Å²	127.3	74%	0.738	69%	0.685	S	S	*	*			trans	78.8	130.6	151.3	-72.8	169.1	46.2	0	0	122.2
795	D	27.6	Very low	30.1	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	69%	0.685	S	S	*	*			trans	91.4	149.5	134.7	-111.5	-16.4	0	0	0	126.3
796	L	26.6	Very low	29.9	Very low	131 Å²	131	130.2 Å²	130.2	69%	0.686	69%	0.693	S	S	*	*			trans	64.8	105.5	151.8	-102.6	67.3	0	0	0	124.9
797	H	29.2	Very low	30	Very low	154 Å²	154	130.8 Å²	130.8	71%	0.713	69%	0.689	S	S	*	*				58.2	134.4	118.6	-88	-38.5	0	0	0	126.4
798	Q	29.6	Very low	29.3	Very low	153 Å²	153	133.6 Å²	133.6	72%	0.715	69%	0.692	S	S	*	*			trans	88.2	109.2	134.7	-72.1	167.5	39.9	0	0	122.4
799	Q	26.5	Very low	29.3	Very low	170 Å²	170	132.3 Å²	132.3	79%	0.794	70%	0.702	S	S	*	*				43.9	138.7	127.5	-80.2	-170.4	-2.1	0	0	121.5
800	P	44.7	Very low	28.3	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	72%	0.718	S	S	*	*				-148.4	157.5	60	40.3	-21.4	0	0	0	120
801	N	27.8	Very low	28.3	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	73%	0.727	S	S	*	*			trans	9.4	147.8	132	-91.6	52.2	0	0	0	120.8
802	D	28.7	Very low	28.4	Very low	107 Å²	107	136.3 Å²	136.3	57%	0.572	73%	0.731	S	S	*	*			cis	-168.9	170.1	2.5	-147.6	-9.5	0	0	0	113.5
803	Q	27.8	Very low	28.4	Very low	160 Å²	160	137.5 Å²	137.5	75%	0.748	74%	0.736	S	S	*	*			trans	59	137	149.4	-77.7	171.6	62.6	0	0	120.9
804	T	25.4	Very low	28.1	Very low	105 Å²	105	135.3 Å²	135.3	64%	0.644	74%	0.738	S	S	*	*			cis	-164.2	135.5	-8.3	-59.7	0	0	0	0	109.5
805	Q	25.8	Very low	28	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	74%	0.737	S	S	*	*			trans	169.6	109.2	132.1	-93.4	169.6	25.5	0	0	113.3
806	T	26.8	Very low	27.8	Very low	125 Å²	125	132.8 Å²	132.8	77%	0.767	74%	0.739	S	S	*	*			trans	11.6	152.1	141	53.5	0	0	0	0	122.3
807	P	35.2	Very low	27.7	Very low	98 Å²	98	132.2 Å²	132.2	64%	0.636	74%	0.744	S	S	*	*			cis	-133	-175.6	-11.3	40	-21.9	0	0	0	114.7
808	E	29.4	Very low	27.3	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	75%	0.751	S	S	*	*			trans	45.4	107.8	152.2	-70.2	145.5	-145.8	0	0	118.3
809	G	26.2	Very low	27	Very low	71 Å²	71	127.7 Å²	127.7	73%	0.732	75%	0.752	S	S	*	*			cis	97.2	99.3	14.5	0	0	0	0	0	111
810	A	24.8	Very low	26.8	Very low	97 Å²	97	126.8 Å²	126.8	80%	0.802	76%	0.758	S	S	*	*			cis	83.3	174.9	43.2	0	0	0	0	0	114.3
811	V	25.7	Very low	25.8	Very low	124 Å²	124	123.8 Å²	123.8	75%	0.752	75%	0.748	S	S	*	*			trans	90.4	112.8	179.9	-176.2	0	0	0	0	112.7
812	E	25.5	Very low	25.6	Very low	162 Å²	162	127.1 Å²	127.1	76%	0.757	76%	0.76	S	S	*	*				69.9	123.2	70.2	-74.2	171.1	168.7	0	0	112
813	E	26.1	Very low	25.4	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	77%	0.77	S	S	*	*				62.7	143.2	81.6	-73.6	-147.5	132.7	0	0	116.6
814	S	22.6	Very low	25.3	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	76%	0.763	S	S	*	*				129.5	173.5	127.6	72.4	0	0	0	0	118
815	V	26	Very low	25.2	Very low	118 Å²	118	128.4 Å²	128.4	72%	0.715	77%	0.77	S	S	*	*			trans	90	82.1	162.9	-165.7	0	0	0	0	120.1
816	T	24.2	Very low	25.1	Very low	130 Å²	130	124.9 Å²	124.9	80%	0.798	76%	0.764	S	S	*	*				45.2	144.7	125.8	67	0	0	0	0	124.8
817	C	22.9	Very low	24.9	Very low	119 Å²	119	122.2 Å²	122.2	80%	0.804	76%	0.762	S	S	*	*			trans	-59.8	150.9	161.5	-44.8	0	0	0	0	115.3
818	S	22.6	Very low	24.4	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	77%	0.77	S	S	*	*				-168.1	153.8	126	-82.3	0	0	0	0	112
819	A	23.2	Very low	24.1	Very low	88 Å²	88	124.5 Å²	124.5	73%	0.727	76%	0.764	S	S	*	*			trans	-84.2	175.7	169.7	0	0	0	0	0	110.4
820	V	22.4	Very low	24.7	Very low	151 Å²	151	126 Å²	126	92%	0.915	76%	0.761	S	S	*	*			cis	-156.3	168.7	24.2	-142.8	0	0	0	0	109.9
821	G	23.4	Very low	24.6	Very low	55 Å²	55	128.7 Å²	128.7	57%	0.567	76%	0.761	S	S	*	*			trans	103.1	128.4	172.2	0	0	0	0	0	112.5
822	E	23.8	Very low	24.5	Very low	192 Å²	192	128.2 Å²	128.2	90%	0.897	76%	0.763	S	S	*	*				69.1	126.2	65.7	-67	175.6	167.9	0	0	111.2
823	E	24.3	Very low	24.4	Very low	165 Å²	165	129 Å²	129	77%	0.771	77%	0.767	S	S	*	*			cis	-157.8	169.4	22.7	-137.4	-163.7	-132.6	0	0	113.9
824	S	25.1	Very low	24.4	Very low	88 Å²	88	124.8 Å²	124.8	62%	0.615	76%	0.757	S	S	*	*			trans	47.8	104.4	142.8	-61.5	0	0	0	0	123.9
825	N	23.1	Very low	24.6	Very low	145 Å²	145	126.8 Å²	126.8	78%	0.775	75%	0.754	S	S	*	*				62	128	106.6	-150	29.7	0	0	0	123.2
826	S	23.7	Very low	24.7	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	76%	0.758	S	S	*	*			trans	47.8	135.4	140.5	68.5	0	0	0	0	124
827	G	23.5	Very low	24.8	Very low	69 Å²	69	129.7 Å²	129.7	71%	0.711	76%	0.757	S	S	*	*			trans	139.9	99.1	159.3	0	0	0	0	0	112.4
828	E	25.1	Very low	25.1	Very low	171 Å²	171	129.3 Å²	129.3	80%	0.799	75%	0.751	S	S	*	*				72.7	105.1	81.1	-76.1	-150.8	110.5	0	0	116.5
829	Q	22.4	Very low	25.3	Very low	159 Å²	159	128.9 Å²	128.9	74%	0.743	74%	0.743	S	S	*	*			trans	66.7	174.9	144.1	-63.1	-156.6	16.2	0	0	117.1
830	P	38.7	Very low	25.5	Very low	103 Å²	103	131.8 Å²	131.8	67%	0.669	75%	0.747	S	S	*	*			cis	-129.7	164.9	-0	41.6	-26.2	0	0	0	117.4
831	L	22.9	Very low	25.7	Very low	152 Å²	152	127.4 Å²	127.4	80%	0.796	73%	0.732	S	S	*	*			trans	25.9	126.2	139.7	-56.7	166.9	0	0	0	120.2
832	S	22.8	Very low	25.7	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	75%	0.746	S	S	*	*				155	162.7	103.2	57.3	0	0	0	0	115.7
833	E	24.2	Very low	26	Very low	179 Å²	179	130.9 Å²	130.9	84%	0.836	74%	0.739	S	S	*	*			trans	-17.6	158.8	156	-60.8	175.1	160.3	0	0	119.1
834	S	26.6	Very low	26.1	Very low	87 Å²	87	126.8 Å²	126.8	61%	0.608	74%	0.741	S	S	*	*			cis	-176.3	174.3	-17.1	60.7	0	0	0	0	111
835	H	25.8	Very low	26.1	Very low	152 Å²	152	125.8 Å²	125.8	70%	0.704	75%	0.745	S	S	*	*			trans	62.9	114.4	149.8	-70.1	-45.4	0	0	0	124.5
836	R	29.4	Very low	26.3	Very low	214 Å²	214	124.4 Å²	124.4	81%	0.808	75%	0.747	S	S	*	*				71	121.6	122.3	-71.3	176.9	162.1	160	-4.9	123.3
837	A	26	Very low	26.6	Very low	94 Å²	94	124 Å²	124	78%	0.777	74%	0.743	S	S	*	*				-144.7	140.7	113.4	0	0	0	0	0	108.2
838	V	28.2	Very low	26.9	Very low	111 Å²	111	128.5 Å²	128.5	67%	0.673	75%	0.746	S	S	*	*			cis	78.7	116.6	32.5	178.5	0	0	0	0	111.4
839	T	27.1	Very low	27.2	Very low	114 Å²	114	127.7 Å²	127.7	70%	0.699	74%	0.742	S	S	*	*			cis	-160.2	172.3	-1.6	13.4	0	0	0	0	107.5
840	N	27.5	Very low	27.6	Very low	150 Å²	150	127.2 Å²	127.2	80%	0.802	74%	0.74	S	S	*	*			cis	-147.4	-174.4	19.3	-97.7	-41	0	0	0	108.1
841	G	26.1	Very low	27.1	Very low	58 Å²	58	129.1 Å²	129.1	60%	0.598	75%	0.745	S	S	*	*			cis	-172.2	141.2	-3.2	0	0	0	0	0	108.8
842	F	24.7	Very low	27.5	Very low	197 Å²	197	128.6 Å²	128.6	86%	0.864	74%	0.741	S	S	*	*				67.8	124.6	88.3	-116.7	-100	0	0	0	115.6
843	V	28.9	Very low	27.8	Very low	123 Å²	123	130.2 Å²	130.2	75%	0.745	74%	0.741	S	S	*	*			cis	-169.1	152.2	-22.5	105.7	0	0	0	0	110.8
844	G	25.8	Very low	28.1	Very low	79 Å²	79	129 Å²	129	81%	0.814	74%	0.735	S	S	*	*			trans	89.4	149.1	161.3	0	0	0	0	0	117.3
845	G	26.4	Very low	28.2	Very low	68 Å²	68	131.1 Å²	131.1	70%	0.701	75%	0.745	S	S	*	*			cis	170.9	157.6	-9.3	0	0	0	0	0	115.3
846	S	27.5	Very low	28.2	Very low	116 Å²	116	127.1 Å²	127.1	81%	0.811	75%	0.745	S	S	*	*			trans	59.2	136	158.8	57	0	0	0	0	122.8
847	S	28.3	Very low	28.9	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	75%	0.747	S	S	*	*			trans	79.5	116.9	141.7	-75.1	0	0	0	0	122.3
848	E	31.3	Very low	29	Very low	165 Å²	165	123.3 Å²	123.3	77%	0.771	75%	0.747	S	S	*	*				62.6	125.6	119	-67.7	159.4	124.4	0	0	122.7
849	E	31.4	Very low	28.9	Very low	154 Å²	154	123.4 Å²	123.4	72%	0.72	75%	0.753	S	S	*	*			trans	71.7	135.1	139.6	-67.2	-148	107.4	0	0	123.5
850	Q	29.9	Very low	29	Very low	148 Å²	148	126.4 Å²	126.4	69%	0.692	76%	0.759	S	S	*	*			trans	68.3	95.9	139	-69.8	177.7	38	0	0	121.5
851	D	29.3	Very low	29.8	Very low	144 Å²	144	124.7 Å²	124.7	77%	0.77	76%	0.756	S	S	*	*				89.9	151	106.2	-123.7	-21.3	0	0	0	122.6
852	I	30.6	Very low	30	Very low	141 Å²	141	129.6 Å²	129.6	72%	0.723	76%	0.764	S	S	*	*			trans	61.9	111.6	165.6	5.2	179.1	0	0	0	123.5
853	D	29.5	Very low	30.4	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	76%	0.759	S	S	*	*				110	152.8	118.6	-118.3	-26.3	0	0	0	124.6
854	E	29.7	Very low	30.4	Very low	153 Å²	153	126.5 Å²	126.5	72%	0.715	76%	0.758	S	S	*	*			trans	59	98.3	162.6	-64.7	-151.2	118.6	0	0	123.2
855	T	29.1	Very low	30.5	Very low	133 Å²	133	126.9 Å²	126.9	82%	0.816	75%	0.754	S	S	*	*			trans	69.8	147.6	133.8	64.3	0	0	0	0	121.7
856	G	24.8	Very low	30.5	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	76%	0.755	S	S	*	*			trans	-88.6	-149.7	176.1	0	0	0	0	0	113.9
857	P	45.8	Very low	30.4	Very low	132 Å²	132	131.5 Å²	131.5	86%	0.857	76%	0.756	S	S	*	*			cis	-133.6	-151.9	18.1	44	-25.9	0	0	0	113.5
858	A	26.3	Very low	30.2	Very low	95 Å²	95	131.9 Å²	131.9	79%	0.785	76%	0.758	S	S	*	*			trans	75.8	150.2	168.4	0	0	0	0	0	117.1
859	S	27.4	Very low	29.9	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	76%	0.758	S	S	*	*			cis	-165.1	167.1	-16.3	50.9	0	0	0	0	111.5
860	E	29.5	Very low	29.7	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	75%	0.752	S	S	*	*			trans	-65.4	167.9	160.4	-48.8	178	130.3	0	0	111.1
861	P	43.9	Very low	29.7	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	76%	0.757	S	S	*	*				-145.4	180	79.6	34.5	-13.8	0	0	0	113.5
862	E	29.9	Very low	29.5	Very low	162 Å²	162	127 Å²	127	76%	0.757	75%	0.749	S	S	*	*			cis	-163.2	165.9	-18.8	-108.4	175.1	-171.8	0	0	108.6
863	H	32.8	Very low	29.4	Very low	167 Å²	167	127.5 Å²	127.5	77%	0.773	75%	0.753	S	S	*	*			trans	22.4	150.6	148.2	-61.2	-50.7	0	0	0	124.2
864	A	28.7	Very low	29.4	Very low	87 Å²	87	128 Å²	128	72%	0.719	75%	0.748	S	S	*	*			cis	-175.7	162.5	-14.9	0	0	0	0	0	112.6
865	A	28.2	Very low	29.2	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	76%	0.758	S	S	*	*			trans	71.5	130.3	147.1	0	0	0	0	0	123.6
866	S	27.1	Very low	29.2	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	76%	0.76	S	S	*	*			trans	54.6	148.6	138.7	59.3	0	0	0	0	122.3
867	E	25.2	Very low	29.2	Very low	177 Å²	177	130.6 Å²	130.6	83%	0.827	76%	0.759	S	S	*	*			cis	-170.5	163.5	-13.7	-108.8	173.9	147.8	0	0	107
868	S	24.5	Very low	28.5	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	76%	0.762	S	S	*	*			trans	42.6	140.6	155.9	56.6	0	0	0	0	121.1
869	D	23.9	Very low	28.6	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	76%	0.764	S	S	*	*			cis	-165.3	163.8	26.4	-124.2	-19.1	0	0	0	112.5
870	E	27.2	Very low	28.6	Very low	125 Å²	125	139.5 Å²	139.5	58%	0.584	77%	0.767	S	S	*	*			trans	25.9	141.3	141.4	-85.5	-80.6	120.9	0	0	122.6	L872	E870-L872 WeakPolarHBondContact OE2-CD1 3.33Å; E870-L872 WeakPolarHBondContact OE2-CG 3.43Å; E870-L872 PolarHBondContact OE2-N 3.06Å
871	P	29.9	Very low	28.8	Very low	124 Å²	124	135 Å²	135	81%	0.805	76%	0.755	S	S	*	*				-145.5	135.5	82.9	37.7	-20.7	0	0	0	119
872	L	26.2	Very low	28.3	Very low	114 Å²	114	132.7 Å²	132.7	60%	0.597	74%	0.742	S	S	*	*			trans	-21.3	143.3	147.3	-82	146.1	0	0	0	117.8	E870 K874	E870-L872 WeakPolarHBondContact OE2-CD1 3.33Å; E870-L872 WeakPolarHBondContact OE2-CG 3.43Å; E870-L872 PolarHBondContact OE2-N 3.06Å; L872-K874 HydrophobicContact CD2-CG 3.93Å
873	D	28.1	Very low	28.6	Very low	152 Å²	152	128.6 Å²	128.6	81%	0.813	73%	0.727	S	S	*	*				-147.6	167.8	105.1	-150	-3.2	0	0	0	112.8
874	K	28.4	Very low	28.8	Very low	157 Å²	157	125.8 Å²	125.8	68%	0.683	72%	0.715	S	S	*	*			trans	-105.3	149.2	-154.1	-61.6	150.4	-176.6	156.7	0	114.2	L872	L872-K874 HydrophobicContact CD2-CG 3.93Å
875	K	27.2	Very low	28.8	Very low	210 Å²	210	127.7 Å²	127.7	91%	0.913	72%	0.718	S	S	*	*			trans	-147.7	138.7	139.2	-115.1	162.8	-171.9	168.6	0	110.7
876	A	28	Very low	28.8	Very low	105 Å²	105	132.2 Å²	132.2	87%	0.868	73%	0.729	S	S	*	*			trans	-75	136	-171.2	0	0	0	0	0	112
877	S	26.1	Very low	28.9	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	73%	0.733	S	S	*	*			trans	-108.3	121.6	165.5	-172.3	0	0	0	0	108.7	M879	S877-M879 PolarHBondContact O-N 2.71Å; S877-M879 WeakPolarHBondContact OG-CG 3.45Å
878	L	30	Very low	29	Very low	178 Å²	178	134.5 Å²	134.5	93%	0.932	74%	0.737	S	S	*	*			trans	-86.2	98.9	167.2	-80.7	164.5	0	0	0	107.6
879	M	27.6	Very low	29.3	Very low	168 Å²	168	139.1 Å²	139.1	83%	0.828	75%	0.748	S	S	*	*			trans	-109.4	115	168.4	-62.4	-156.9	-57.8	0	0	109.2	S877	S877-M879 PolarHBondContact O-N 2.71Å; S877-M879 WeakPolarHBondContact OG-CG 3.45Å
880	E	29.2	Very low	29.3	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	75%	0.752	S	S	*	*			trans	-111.8	129.8	160.2	-68.5	-164.4	144.9	0	0	108.7
881	S	32.1	Very low	29.1	Very low	83 Å²	83	137.3 Å²	137.3	58%	0.58	77%	0.765	S	S	*	*			trans	-78.4	168.7	179.9	-174	0	0	0	0	111.5	T883	S881-T883 VanDerWaalsContact O-CG2 3.28Å; S881-T883 WeakPolarHBondContact O-CG2 3.38Å; S881-T883 PolarHBondContact O-N 2.75Å
882	S	35	Very low	28.8	Very low	66 Å²	66	136.9 Å²	136.9	46%	0.462	77%	0.765	S	S	.	*			trans	-45.7	103.1	175.4	-64.1	0	0	0	0	112.3	E466 E884	E466-S882 WeakPolarHBondContact OE1-CB 3.3Å; E466-S882 PolarHBondContact OE1-OG 3.1Å; S882-E884 PolarHBondContact O-N 3.1Å; S882-E884 VanDerWaalsContact O-N 3.08Å
883	T	35.8	Very low	28.7	Very low	75 Å²	75	140.9 Å²	140.9	46%	0.46	78%	0.777	S	S	.	*			trans	-83.4	78.9	-166.1	46.4	0	0	0	0	114.1	K324 S881	K324-T883 PolarHBondContact NZ-O 3.24Å; S881-T883 VanDerWaalsContact O-CG2 3.28Å; S881-T883 WeakPolarHBondContact O-CG2 3.38Å; S881-T883 PolarHBondContact O-N 2.75Å
884	E	37.2	Very low	28.5	Very low	108 Å²	108	140.7 Å²	140.7	51%	0.505	78%	0.776	S	S	.	*			trans	-135.8	88.3	161.9	-72.2	-169.7	173.8	0	0	111.9	N346 H348 S882	N346-E884 PolarHBondContact ND2-OE2 3.21Å; H348-E884 IonicContact CD2-OE2 3.17Å; S882-E884 PolarHBondContact O-N 3.1Å; S882-E884 VanDerWaalsContact O-N 3.08Å
885	T	29.1	Very low	28.3	Very low	127 Å²	127	141.6 Å²	141.6	78%	0.779	78%	0.782	S	S	*	*			trans	-118.2	109.1	176.4	39.7	0	0	0	0	112.6
886	L	26.7	Very low	28.2	Very low	182 Å²	182	137.4 Å²	137.4	95%	0.953	77%	0.769	S	S	*	*			trans	-138.9	108.1	153.4	-77.6	179.7	0	0	0	107.7
887	T	30.1	Very low	27.9	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	77%	0.766	S	S	*	*			trans	-116.9	119.4	175.1	48.4	0	0	0	0	109.1
888	E	27.8	Very low	28.2	Very low	198 Å²	198	141.3 Å²	141.3	93%	0.925	77%	0.774	S	S	*	*			trans	-72.6	137.4	169.9	-61.9	-177	129.9	0	0	110.2
889	E	29	Very low	28	Very low	198 Å²	198	136.4 Å²	136.4	93%	0.925	77%	0.767	S	S	*	*			trans	-84	124.2	174.7	-66.5	-169.1	133.8	0	0	111.3
890	A	24.6	Very low	27.8	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	77%	0.769	S	S	*	*			trans	-135.4	112.9	167.2	0	0	0	0	0	110.3
891	C	22.1	Very low	27.9	Very low	126 Å²	126	133.1 Å²	133.1	85%	0.851	76%	0.758	S	S	*	*			trans	-101.6	141.9	-171.3	179.2	0	0	0	0	112.9
892	S	24.3	Very low	27.5	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	77%	0.765	S	S	*	*			trans	-160.9	114.3	160.9	-86	0	0	0	0	114.1
893	K	24.4	Very low	27	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.857	78%	0.78	S	S	*	*			trans	35.9	126.7	151.8	-60.4	-176.7	177.4	-175.5	0	120.4
894	L	23.5	Very low	26.3	Very low	148 Å²	148	140.7 Å²	140.7	78%	0.775	80%	0.795	S	S	*	*			cis	78.4	103.6	27	-159.9	164.6	0	0	0	116
895	E	24.3	Very low	26.2	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	81%	0.808	S	S	*	*			trans	-150.3	114.7	140.9	-76.8	-154.9	145.2	0	0	108.7
896	L	24.6	Very low	26	Very low	122 Å²	122	141.4 Å²	141.4	64%	0.639	80%	0.804	S	S	*	*				75.6	99	93.7	-65.6	171.3	0	0	0	114.8
897	L	22.6	Very low	25.9	Very low	153 Å²	153	143.2 Å²	143.2	80%	0.801	80%	0.799	S	S	*	*				80.9	160.2	92.8	-79.1	-171.3	0	0	0	114.6
898	P	32.7	Very low	25.6	Very low	129 Å²	129	145.1 Å²	145.1	84%	0.838	80%	0.798	S	S	*	*			cis	-130.8	168.4	15.3	42.3	-26.6	0	0	0	117.5
899	G	26.2	Very low	26.1	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	78%	0.784	S	S	*	*			trans	163.8	79.4	169	0	0	0	0	0	116.6
900	Q	22.6	Very low	25.9	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	78%	0.78	S	S	*	*			trans	-118.4	175.4	171.9	-107.1	-160.7	14.3	0	0	109.6
901	P	31.6	Very low	26	Very low	92 Å²	92	137.3 Å²	137.3	60%	0.597	77%	0.768	S	S	*	*			cis	-144	162.2	15.5	41.1	-22	0	0	0	119
902	S	24.1	Very low	26.3	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	77%	0.772	S	S	*	*			trans	63	166.6	139.5	69.5	0	0	0	0	120.2
903	V	24.3	Very low	26.4	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	76%	0.76	S	S	*	*			cis	-143.4	149.8	18.9	-162.5	0	0	0	0	113.2
904	L	21.4	Very low	26.6	Very low	148 Å²	148	138.2 Å²	138.2	78%	0.775	76%	0.76	S	S	*	*			trans	-44.9	162.4	158.2	-93.7	160.7	0	0	0	114.9
905	P	35	Very low	26.8	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	74%	0.739	S	S	*	*				-155.2	153.8	64	40.2	-18.2	0	0	0	120.8
906	N	23.7	Very low	27	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	73%	0.733	S	S	*	*			trans	38	142.2	133.9	-107.7	-21.7	0	0	0	120.3
907	R	24.8	Very low	27.3	Very low	221 Å²	221	134.6 Å²	134.6	83%	0.834	74%	0.741	S	S	*	*			cis	-171.3	154.2	42.9	-147.2	168.5	-161.8	170.7	1.7	113.5
908	Q	23.9	Very low	28.1	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	74%	0.742	S	S	*	*			trans	-57.1	168.9	155.4	-91.9	-179.2	-12.4	0	0	112.5
909	P	38.3	Very low	27.7	Very low	95 Å²	95	130.4 Å²	130.4	62%	0.617	74%	0.735	S	S	*	*			cis	-158.9	-179.3	46	42.8	-19.5	0	0	0	121.4
910	H	25.8	Very low	27.7	Very low	183 Å²	183	135.4 Å²	135.4	85%	0.847	74%	0.736	S	S	*	*			trans	67.9	148.2	161.1	-54.2	-54.8	0	0	0	119.4
911	G	26.7	Very low	27.8	Very low	60 Å²	60	136.9 Å²	136.9	62%	0.619	73%	0.733	S	S	*	*			cis	163.4	137.5	-10.6	0	0	0	0	0	114
912	D	27.7	Very low	27.5	Very low	174 Å²	174	139.8 Å²	139.8	93%	0.93	74%	0.737	S	S	*	*			trans	55.1	149	163	-50.7	-43.1	0	0	0	120.3
913	G	26.6	Very low	27.5	Very low	55 Å²	55	140 Å²	140	57%	0.567	73%	0.73	S	S	*	*			cis	159.8	123.3	-13.7	0	0	0	0	0	115.3
914	R	29.1	Very low	27.5	Very low	228 Å²	228	142.2 Å²	142.2	86%	0.86	72%	0.724	S	S	*	*			trans	64.1	170.6	162.4	-76.8	-171.9	165.8	-172.8	-4.3	117.4	L788	L788-R914 HydrophobicContact CD1-CB 3.75Å; L788-R914 HydrophobicContact CD2-CB 4.28Å
915	S	27.8	Very low	27.7	Very low	46 Å²	46	141.9 Å²	141.9	32%	0.322	72%	0.718	S	S	.	*			cis	-175.7	145.4	-31.1	-175.3	0	0	0	0	111.9	P789	P789-S915 WeakPolarHBondContact CB-O 3.22Å
916	Q	27.4	Very low	27.2	Very low	151 Å²	151	141 Å²	141	71%	0.706	72%	0.721	S	S	*	*			trans	88	140.9	156.1	-76.8	158.7	39.7	0	0	123.7	P789	P789-Q916 VanDerWaalsContact CG-O 3.27Å; P789-Q916 WeakPolarHBondContact CG-O 3.38Å
917	H	31.8	Very low	27.3	Very low	173 Å²	173	139.6 Å²	139.6	80%	0.801	73%	0.727	S	S	*	*			trans	-47.8	176.2	165.9	-64.2	-67	0	0	0	117.2
918	P	38.6	Very low	27.7	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	73%	0.727	S	S	*	*			cis	-137.2	-172.8	18.6	43.1	-24.1	0	0	0	116.3
919	G	24.8	Very low	28.4	Very low	68 Å²	68	134.9 Å²	134.9	70%	0.701	73%	0.725	S	S	*	*			cis	149.6	-174.7	-6.9	0	0	0	0	0	114.5
920	F	24.7	Very low	27.8	Very low	182 Å²	182	133.1 Å²	133.1	80%	0.798	72%	0.724	S	S	*	*			trans	73.8	121.9	171.4	-87	-80.7	0	0	0	122.4
921	R	25.5	Very low	27.8	Very low	217 Å²	217	133.3 Å²	133.3	82%	0.819	72%	0.723	S	S	*	*			trans	67	144.4	140.4	-86.9	172.6	-177.4	174.7	2.1	119.2
922	K	24.7	Very low	27.7	Very low	154 Å²	154	134.3 Å²	134.3	67%	0.67	72%	0.72	S	S	*	*			cis	167.7	149.5	22.9	157.1	178.6	-174.1	-67.7	0	110.2
923	D	24.3	Very low	27.7	Very low	108 Å²	108	136.2 Å²	136.2	58%	0.578	71%	0.714	S	S	*	*			trans	62.2	162.1	162	-69	3.5	0	0	0	119.4
924	R	25	Very low	27.7	Very low	177 Å²	177	138.7 Å²	138.7	67%	0.668	72%	0.719	S	S	*	*			cis	-162.9	157.7	-24.4	-106.1	168.3	83.4	158.9	8.8	110
925	E	25.2	Very low	27.6	Very low	141 Å²	141	135.2 Å²	135.2	66%	0.659	72%	0.716	S	S	*	*			trans	53.5	116	145.1	-69.8	164	160.7	0	0	123.2
926	A	25.5	Very low	27.5	Very low	100 Å²	100	140 Å²	140	83%	0.826	74%	0.739	S	S	*	*				55	131.5	124.4	0	0	0	0	0	123.1
927	A	24.9	Very low	27.4	Very low	101 Å²	101	136.4 Å²	136.4	84%	0.835	74%	0.741	S	S	*	*				-176	127.3	120.8	0	0	0	0	0	114.1
928	E	32.3	Very low	27.1	Very low	178 Å²	178	131.4 Å²	131.4	83%	0.832	74%	0.736	S	S	*	*			trans	-86.1	167.8	143.4	-109.4	-148.2	-133.8	0	0	108.4
929	P	39.9	Very low	26.5	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	74%	0.735	S	S	*	*			cis	-151.9	-177.2	34.3	43.7	-23.3	0	0	0	118.5
930	G	25	Very low	26.7	Very low	58 Å²	58	136.8 Å²	136.8	60%	0.598	74%	0.742	S	S	*	*				118.2	127.5	116.3	0	0	0	0	0	124
931	F	25.5	Very low	26.7	Very low	187 Å²	187	137.1 Å²	137.1	82%	0.82	75%	0.746	S	S	*	*			trans	79.9	95.2	133.9	-81.4	-88	0	0	0	124.9
932	S	25.3	Very low	26.7	Very low	81 Å²	81	131.6 Å²	131.6	57%	0.566	75%	0.746	S	S	*	*				68.5	146	118.9	83.5	0	0	0	0	120.6
933	R	28.2	Very low	26.7	Very low	214 Å²	214	129.3 Å²	129.3	81%	0.808	75%	0.75	S	S	*	*				172.4	169.8	64.7	-108.8	148.9	-174.6	167.6	3	108.9
934	T	27	Very low	26.8	Very low	108 Å²	108	130 Å²	130	66%	0.663	76%	0.758	S	S	*	*			cis	-178.4	142.3	-31.6	32.9	0	0	0	0	110
935	L	26.6	Very low	26.8	Very low	154 Å²	154	127 Å²	127	81%	0.806	76%	0.764	S	S	*	*			trans	70	158.2	157.8	-59.3	160.7	0	0	0	117.1
936	N	25.8	Very low	26.9	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	77%	0.769	S	S	*	*			cis	-161.1	155.8	11.1	-143.8	-11.5	0	0	0	114.8
937	G	25.1	Very low	26.9	Very low	74 Å²	74	129 Å²	129	76%	0.763	77%	0.769	S	S	*	*			trans	80.7	149.6	155.2	0	0	0	0	0	119.5
938	G	24.7	Very low	26.8	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	77%	0.768	S	S	*	*			cis	165.5	126	-13.7	0	0	0	0	0	117
939	S	26.9	Very low	26.5	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	76%	0.763	S	S	*	*			trans	73.7	151.2	165.3	86.4	0	0	0	0	117.2
940	K	27.7	Very low	25.8	Very low	193 Å²	193	127.8 Å²	127.8	84%	0.839	76%	0.764	S	S	*	*			cis	-138.9	162.4	9.6	-69.1	177.4	-178.1	173.9	0	112.9
941	H	26.3	Very low	25.8	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.875	78%	0.776	S	S	*	*			trans	-78	155.5	167.6	-70.7	-103.5	0	0	0	113.8
942	A	24.6	Very low	25.9	Very low	101 Å²	101	126 Å²	126	84%	0.835	77%	0.77	S	S	*	*			trans	-148.1	163.9	137.7	0	0	0	0	0	108.9
943	S	24.5	Very low	25.9	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	78%	0.783	S	S	*	*			trans	-163.9	168.9	-165.1	50.4	0	0	0	0	114.4
944	V	26.9	Very low	25.8	Very low	123 Å²	123	126.7 Å²	126.7	75%	0.745	78%	0.778	S	S	*	*			trans	101.3	111.5	158.9	-173	0	0	0	0	118.6
945	S	25.8	Very low	25.7	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	78%	0.781	S	S	*	*			trans	67.4	153.2	153.7	76.5	0	0	0	0	119.2
946	A	26.9	Very low	25.6	Very low	92 Å²	92	130.8 Å²	130.8	76%	0.76	79%	0.786	S	S	*	*			cis	-151.5	-175.3	12.9	0	0	0	0	0	114.1
947	F	24.1	Very low	25.7	Very low	191 Å²	191	132.6 Å²	132.6	84%	0.838	79%	0.79	S	S	*	*			trans	-56.6	166.6	172	-67	-97.4	0	0	0	114
948	Q	23.6	Very low	25.8	Very low	171 Å²	171	132.9 Å²	132.9	80%	0.799	79%	0.792	S	S	*	*			cis	-146.9	147.4	21.6	-109.4	128.9	2.8	0	0	108.5
949	S	26.2	Very low	26.3	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	80%	0.799	S	S	*	*				87.5	149.6	66.2	-54.3	0	0	0	0	116.1
950	A	24.8	Very low	26.3	Very low	93 Å²	93	141.4 Å²	141.4	77%	0.769	80%	0.799	S	S	*	*			trans	81	134.2	179.8	0	0	0	0	0	115.9
951	S	26.1	Very low	26.5	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	80%	0.798	S	S	*	*			cis	74.1	130.9	11.1	-44	0	0	0	0	116.1
952	A	25.8	Very low	26.5	Very low	85 Å²	85	134.6 Å²	134.6	70%	0.702	80%	0.797	S	S	*	*			cis	-163.1	176.8	-9.4	0	0	0	0	0	109.7
953	E	25.4	Very low	26.7	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	80%	0.799	S	S	*	*			trans	64.9	164.5	158.9	-66.8	-165.9	143.3	0	0	117.6
954	L	26.6	Very low	26.8	Very low	135 Å²	135	137.6 Å²	137.6	71%	0.707	80%	0.798	S	S	*	*			cis	-158.2	175.5	-14.6	-120.3	171.8	0	0	0	110.2
955	S	25.3	Very low	26.9	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	80%	0.795	S	S	*	*			trans	71.6	161	150.3	77.9	0	0	0	0	120.8
956	R	25.4	Very low	27.1	Very low	244 Å²	244	138.9 Å²	138.9	92%	0.921	80%	0.8	S	S	*	*			trans	-155.4	107.3	167.5	173.3	177.6	162.4	177.6	-7.1	109.8
957	E	27.7	Very low	27	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	80%	0.803	S	S	*	*			trans	-117.1	-177.7	170.6	-72.5	-173.6	104.1	0	0	111.5
958	G	27.4	Very low	27	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	80%	0.804	S	S	*	*			trans	-73.9	155.2	-168.8	0	0	0	0	0	116.1
959	L	35.3	Very low	27.9	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	80%	0.796	S	S	*	*			trans	-77.5	150.3	-179.3	-67.1	160.3	0	0	0	113.1
960	Y	26.5	Very low	27.8	Very low	202 Å²	202	133.2 Å²	133.2	79%	0.792	80%	0.795	S	S	*	*				-178.1	131.3	107	-107.5	-73.8	0	0	0	114.9
961	N	31.1	Very low	27.9	Very low	155 Å²	155	135.8 Å²	135.8	83%	0.829	80%	0.801	S	S	*	*			trans	48.8	137.6	156.4	-67.4	-6	0	0	0	123.3
962	G	27.3	Very low	27.8	Very low	83 Å²	83	132.9 Å²	132.9	86%	0.856	79%	0.791	S	S	*	*			trans	159.9	85.2	154.3	0	0	0	0	0	117.4
963	D	28.9	Very low	28.5	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	79%	0.791	S	S	*	*			trans	-66.9	154	-173.5	-87.1	-36.7	0	0	0	119.2
964	C	26.6	Very low	28.5	Very low	109 Å²	109	132.9 Å²	132.9	74%	0.736	79%	0.785	S	S	*	*			trans	85	116.5	139.3	-78.2	0	0	0	0	125.4
965	S	27.7	Very low	28.5	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	80%	0.795	S	S	*	*				93.6	107.8	122.4	-64.9	0	0	0	0	123.6
966	D	30.4	Very low	28.5	Very low	166 Å²	166	137.2 Å²	137.2	89%	0.888	80%	0.796	S	S	*	*				38.5	132.3	128.1	-55.2	-41.6	0	0	0	123
967	G	25	Very low	28.5	Very low	81 Å²	81	136 Å²	136	84%	0.835	80%	0.798	S	S	*	*			trans	167.3	83.9	159.4	0	0	0	0	0	118.5
968	D	24.5	Very low	28.4	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	79%	0.793	S	S	*	*			trans	-86.5	169.2	159.2	-148.8	32.6	0	0	0	108.8
969	P	41.2	Very low	28.2	Very low	97 Å²	97	135.4 Å²	135.4	63%	0.63	80%	0.799	S	S	*	*			cis	-141.7	173.3	8	45.2	-26.6	0	0	0	118.8
970	S	25.5	Very low	27.7	Very low	102 Å²	102	131 Å²	131	71%	0.713	79%	0.792	S	S	*	*			trans	0.2	129.9	155.4	66.7	0	0	0	0	122.5
971	V	25.3	Very low	27.6	Very low	147 Å²	147	130.6 Å²	130.6	89%	0.891	80%	0.798	S	S	*	*			trans	-148.9	147.5	130.5	-158.6	0	0	0	0	109.6
972	G	24.7	Very low	27.3	Very low	62 Å²	62	135.3 Å²	135.3	64%	0.639	80%	0.804	S	S	*	*			trans	-84.7	-154.5	164.5	0	0	0	0	0	112.6
973	P	41.4	Very low	27.2	Very low	110 Å²	110	135.8 Å²	135.8	71%	0.714	80%	0.8	S	S	*	*			cis	-141.9	-172.6	11.7	25.4	2	0	0	0	116.2
974	H	24.8	Very low	27.9	Very low	150 Å²	150	133.2 Å²	133.2	69%	0.694	79%	0.792	S	S	*	*			trans	110.9	139	145.5	-73.2	-64.4	0	0	0	122.5
975	W	26.2	Very low	27.8	Very low	240 Å²	240	137 Å²	137	91%	0.909	80%	0.796	S	S	*	*			trans	72.4	141.7	164.8	-59.1	116.8	0	0	0	119.1
976	A	25	Very low	27.6	Very low	91 Å²	91	137 Å²	137	75%	0.752	80%	0.796	S	S	*	*			trans	-154.2	140.6	-169.3	0	0	0	0	0	111.3
977	K	26.1	Very low	27.5	Very low	219 Å²	219	139.4 Å²	139.4	95%	0.952	79%	0.793	S	S	*	*			trans	161.8	142.9	147.8	-97.7	177.7	175.6	-173.8	0	109.8
978	G	24.6	Very low	27.3	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	79%	0.787	S	S	*	*			trans	149.7	71.6	167.1	0	0	0	0	0	115.4
979	N	24.4	Very low	27.4	Very low	177 Å²	177	141.6 Å²	141.6	95%	0.947	79%	0.785	S	S	*	*			trans	-73.1	144.4	153	-80.6	10.8	0	0	0	108.2
980	G	24.2	Very low	26.5	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	79%	0.788	S	S	*	*			trans	158.4	84.6	171.6	0	0	0	0	0	114.7
981	E	24.1	Very low	26.3	Very low	193 Å²	193	144.8 Å²	144.8	90%	0.902	80%	0.795	S	S	*	*			trans	40.8	130.7	136.4	-58.1	174	153	0	0	120.9
982	R	25.6	Very low	26.2	Very low	255 Å²	255	141.9 Å²	141.9	96%	0.962	79%	0.786	S	S	*	*			trans	-130.9	113.4	149.3	-86.5	-170.4	171.3	179.4	-2.5	110.9
983	A	26.2	Very low	25.9	Very low	93 Å²	93	144.5 Å²	144.5	77%	0.769	80%	0.795	S	S	*	*			trans	-86.4	157.6	164.3	0	0	0	0	0	110.7
984	P	42.3	Very low	25.1	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	79%	0.794	S	S	*	*			trans	-88.6	168.9	178.4	36.9	-36.7	0	0	0	112.7
985	F	24.4	Very low	25.1	Very low	188 Å²	188	144.9 Å²	144.9	83%	0.825	80%	0.803	S	S	*	*			trans	170	159.5	133.7	-97.6	-60.8	0	0	0	113.8
986	S	23.4	Very low	25	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	79%	0.791	S	S	*	*			trans	73.2	151.8	158.6	-70.3	0	0	0	0	118.3
987	R	28.4	Very low	24.9	Very low	216 Å²	216	141.1 Å²	141.1	82%	0.815	80%	0.795	S	S	*	*			cis	-157.2	178.4	-4.7	-125.6	175.5	-171.7	-178.3	2.6	114.2
988	Q	21.8	Very low	24.8	Very low	155 Å²	155	136.2 Å²	136.2	72%	0.724	78%	0.783	S	S	*	*			trans	-40.4	130.8	173.1	-65.5	156.5	-76.4	0	0	118.7
989	V	25.4	Very low	24.8	Very low	132 Å²	132	140.5 Å²	140.5	80%	0.8	79%	0.787	S	S	*	*				49	126.2	111.2	178.8	0	0	0	0	121.2
990	S	22.1	Very low	24.8	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	78%	0.782	S	S	*	*			trans	108.5	131.5	143.4	-88.3	0	0	0	0	122.6
991	L	22.3	Very low	24.7	Very low	168 Å²	168	143.1 Å²	143.1	88%	0.88	79%	0.789	S	S	*	*			trans	69.5	144.6	150.4	-67.8	165.7	0	0	0	118.1
992	A	22.1	Very low	24.8	Very low	85 Å²	85	145.2 Å²	145.2	70%	0.702	79%	0.788	S	S	*	*			cis	-164.7	176.8	-5.6	0	0	0	0	0	113.1
993	S	20.3	Very low	24.8	Very low	117 Å²	117	137 Å²	137	82%	0.818	78%	0.783	S	S	*	*			trans	83.1	163	150.4	-148	0	0	0	0	120.3
994	C	24.4	Very low	24.7	Very low	104 Å²	104	139 Å²	139	70%	0.703	78%	0.78	S	S	*	*			trans	-137.6	-175.6	-172.3	-54.7	0	0	0	0	111.4
995	N	23.8	Very low	23.9	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	78%	0.784	S	S	*	*			trans	85.3	144.3	179.1	-48	-30.5	0	0	0	113.9
996	S	23.9	Very low	24	Very low	93 Å²	93	136.3 Å²	136.3	65%	0.65	78%	0.775	S	S	*	*			cis	-139.3	152.9	2.7	-154.4	0	0	0	0	108.4
997	L	23.5	Very low	24.3	Very low	159 Å²	159	140.2 Å²	140.2	83%	0.832	78%	0.782	S	S	*	*				-159.3	126	71.3	-87.7	165.1	0	0	0	114.2
998	V	24.6	Very low	24.2	Very low	117 Å²	117	137.4 Å²	137.4	71%	0.709	78%	0.778	S	S	*	*			trans	6.9	121.1	146.9	-171.9	0	0	0	0	119
999	L	24.2	Very low	24.5	Very low	165 Å²	165	141 Å²	141	86%	0.864	79%	0.785	S	S	*	*			trans	-142.4	146.1	141.2	-112.3	166.3	0	0	0	110
1000	H	23.9	Very low	24.5	Very low	178 Å²	178	139.4 Å²	139.4	82%	0.824	78%	0.779	S	S	*	*			trans	-55.2	136.4	-159.1	-75	-89.2	0	0	0	116.5
1001	S	23	Very low	24.7	Very low	120 Å²	120	139 Å²	139	84%	0.839	78%	0.775	S	S	*	*			trans	-75.5	128	173.6	53.9	0	0	0	0	113
1002	R	26.5	Very low	25	Very low	237 Å²	237	139.8 Å²	139.8	89%	0.894	77%	0.774	S	S	*	*			trans	-122.9	97.5	151.2	-86.3	-173.8	168.7	-174.7	-2.7	107.7	I1004	R1002-I1004 PolarHBondContact O-N 2.74Å
1003	G	24.7	Very low	25.2	Very low	83 Å²	83	140.8 Å²	140.8	86%	0.856	78%	0.783	S	S	*	*			trans	-71	122.7	174.7	0	0	0	0	0	110.7
1004	I	24.3	Very low	25.5	Very low	135 Å²	135	139.6 Å²	139.6	69%	0.692	78%	0.779	S	S	*	*			trans	-127.3	114.6	164.5	-58.6	-178.4	0	0	0	106.7	R1002 L1006	R1002-I1004 PolarHBondContact O-N 2.74Å; I1004-L1006 HydrophobicContact CG2-CD2 3.76Å; I1004-L1006 HydrophobicContact CG2-CG 3.97Å; I1004-L1006 PolarHBondContact O-N 3.05Å
1005	C	25.7	Very low	25.9	Very low	116 Å²	116	141.3 Å²	141.3	78%	0.784	79%	0.789	S	S	*	*			trans	-74.9	118	167.3	-179.4	0	0	0	0	108.2
1006	L	26.2	Very low	26.1	Very low	122 Å²	122	139 Å²	139	64%	0.639	79%	0.786	S	S	*	*			trans	-102.7	75.3	178.1	-74.6	-178.7	0	0	0	111.4	I1004 H1008	I1004-L1006 HydrophobicContact CG2-CD2 3.76Å; I1004-L1006 HydrophobicContact CG2-CG 3.97Å; I1004-L1006 PolarHBondContact O-N 3.05Å; L1006-H1008 VanDerWaalsContact C-N 3.26Å; L1006-H1008 PolarHBondContact O-N 3.22Å
1007	Q	28.4	Very low	26.6	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.802	S	S	*	*			trans	-73.7	79.6	166	-169	174	16.9	0	0	108.9	R1009	Q1007-R1009 PolarHBondContact O-N 3.34Å
1008	H	26.9	Very low	26.7	Very low	158 Å²	158	143.9 Å²	143.9	73%	0.731	80%	0.799	S	S	*	*			trans	-71.1	92.2	-170.6	-100.4	-69.4	0	0	0	113.7	L1006 C1010	L1006-H1008 VanDerWaalsContact C-N 3.26Å; L1006-H1008 PolarHBondContact O-N 3.22Å; H1008-C1010 PolarHBondContact O-N 3.43Å
1009	R	27.7	Very low	26.8	Very low	229 Å²	229	143.4 Å²	143.4	86%	0.864	81%	0.807	S	S	*	*			trans	-66	111.8	168.8	-170.2	-173.4	-158.4	-173.3	6.3	110.2	Q1007 C1011	Q1007-R1009 PolarHBondContact O-N 3.34Å; R1009-C1011 PolarHBondContact O-N 3.1Å
1010	C	25.6	Very low	27	Very low	100 Å²	100	142.3 Å²	142.3	68%	0.676	81%	0.807	S	S	*	*			trans	-75.6	105.2	-180	-170.2	0	0	0	0	112.2	H1008 R1027	H1008-C1010 PolarHBondContact O-N 3.43Å; C1010-R1027 PolarHBondContact O-NH1 3.33Å
1011	C	27.6	Very low	26.9	Very low	90 Å²	90	139 Å²	139	61%	0.608	80%	0.804	S	S	*	*			trans	-157.1	146.2	163	-102.5	0	0	0	0	110.1	R1009 R1027	R1009-C1011 PolarHBondContact O-N 3.1Å; C1011-R1027 PolarHBondContact SG-NH1 2.82Å; C1011-R1027 VanDerWaalsContact SG-NH1 3.36Å
1012	H	28.4	Very low	27.6	Very low	183 Å²	183	138.3 Å²	138.3	85%	0.847	80%	0.797	S	S	*	*			trans	-69.5	150.9	-169.7	-46.3	-91	0	0	0	115.1
1013	A	25	Very low	27.7	Very low	107 Å²	107	135.9 Å²	135.9	88%	0.884	80%	0.796	S	S	*	*			trans	-154.7	106.7	149.7	0	0	0	0	0	111.1
1014	A	26.6	Very low	27.9	Very low	91 Å²	91	139.9 Å²	139.9	75%	0.752	79%	0.792	S	S	*	*			trans	-111.5	146.2	161.1	0	0	0	0	0	108.7	S1016	A1014-S1016 PolarHBondContact O-N 3.38Å
1015	P	33.3	Very low	28.4	Very low	140 Å²	140	138.9 Å²	138.9	91%	0.909	79%	0.794	S	S	*	*			trans	-86.9	109.3	-158	31.8	-35.4	0	0	0	114.4
1016	S	27.5	Very low	28.9	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	78%	0.776	S	S	*	*			trans	-132.5	151.7	156.5	73.2	0	0	0	0	110.5	A1014	A1014-S1016 PolarHBondContact O-N 3.38Å
1017	R	34.8	Very low	29.8	Very low	260 Å²	260	138 Å²	138	98%	0.981	77%	0.774	S	S	*	*			trans	-111.2	79.1	-156.6	-167.3	179.9	-173.5	172.6	1.9	112.3
1018	A	26.1	Very low	31	Very low	93 Å²	93	133.5 Å²	133.5	77%	0.769	76%	0.762	S	S	*	*			trans	-119.1	166.7	174.3	0	0	0	0	0	112
1019	A	26.5	Very low	32.8	Very low	107 Å²	107	132 Å²	132	88%	0.884	76%	0.755	S	S	*	*			trans	-75.5	145.4	-170.3	0	0	0	0	0	113.6
1020	V	27.7	Very low	35.2	Very low	142 Å²	142	122.5 Å²	122.5	86%	0.861	72%	0.721	S	S	*	*			trans	-80.4	128.9	179.1	178.1	0	0	0	0	110.8
1021	S	22.6	Very low	37.9	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	70%	0.7	S	S	*	*			trans	-111.4	142.1	161.1	-165.9	0	0	0	0	108.8
1022	P	37.1	Very low	40.6	Very low	106 Å²	106	122.1 Å²	122.1	69%	0.688	71%	0.706	S	S	*	*			trans	-83.4	148.5	-171.5	32	-35	0	0	0	114.8
1023	E	29.8	Very low	43.5	Very low	186 Å²	186	113.5 Å²	113.5	87%	0.869	67%	0.667	S	S	*	*			trans	66.9	111.4	155.2	-65.6	176.7	-166.9	0	0	120.4
1024	Q	28.5	Very low	46.4	Very low	168 Å²	168	108.6 Å²	108.6	79%	0.785	63%	0.626	S	S	*	*			trans	-125.3	120.3	149.6	-83.4	-167.6	-15.5	0	0	109.5
1025	P	34.4	Very low	49.3	Very low	113 Å²	113	104.3 Å²	104.3	73%	0.734	59%	0.591	S	S	*	*			trans	-98.4	17.7	-179	37.4	-35.4	0	0	0	114.3	R1027	P1025-R1027 PolarHBondContact O-N 3.17Å
1026	T	36.3	Very low	51.6	Low	66 Å²	66	99.9 Å²	99.9	41%	0.405	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-5.5	-160.4	42.2	0	0	0	0	117.4
1027	R	44.5	Very low	54.1	Low	154 Å²	154	98.6 Å²	98.6	58%	0.581	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	10.4	-174.3	-106.7	-169.6	-178.8	-172.4	3	115.9	C1010 C1011 P1025	C1010-R1027 PolarHBondContact O-NH1 3.33Å; C1011-R1027 PolarHBondContact SG-NH1 2.82Å; C1011-R1027 VanDerWaalsContact SG-NH1 3.36Å; P1025-R1027 PolarHBondContact O-N 3.17Å
1028	S	54.6	Low	56.3	Low	85 Å²	85	88.6 Å²	88.6	59%	0.594	51%	0.509	S	S	*	.	S	Bend	trans	-82.5	-10	-171.8	49.7	0	0	0	0	116.8
1029	H	64.5	Low	58.6	Low	128 Å²	128	87.3 Å²	87.3	59%	0.593	49%	0.492	S	S	*	.	S	Bend	trans	-131.1	-3.6	-170.2	-56.3	-67.2	0	0	0	115.3	L1037	H1029-L1037 PolarHBondContact O-N 2.96Å
1030	L	77.9	Confident	61.3	Low	29 Å²	29	82.9 Å²	82.9	15%	0.152	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-114	146	178.9	-57.8	179.1	0	0	0	109.7	F34 P35 N70 L1035	F34-L1030 HydrophobicContact CB-CD1 4.2Å; P35-L1030 HydrophobicContact CG-CD1 4.12Å; N70-L1030 VanDerWaalsContact ND2-CD2 3.29Å; N70-L1030 WeakPolarHBondContact ND2-CD2 3.29Å; L1030-L1035 WeakPolarHBondContact CA-O 3.46Å
1031	D	82.7	Confident	64	Low	43 Å²	43	79.3 Å²	79.3	23%	0.23	44%	0.438	C	S	.	.			trans	-97.3	175.6	176.7	-164	5.6	0	0	0	110.6	K498 D1033 G1034 L1035 L1037	K498-D1031 WeakPolarHBondContact CE-OD2 3.43Å; K498-D1031 IonicContact NZ-OD2 3.39Å; K498-D1031 PolarHBondContact NZ-OD2 3.21Å; D1031-D1033 WeakPolarHBondContact CB-OD1 3.22Å; D1031-D1033 PolarHBondContact O-N 3.42Å; D1031-G1034 PolarHBondContact O-N 3.24Å; D1031-L1035 PolarHBondContact N-O 3.25Å; D1031-L1037 HydrophobicContact CB-CB 4.2Å; D1031-L1037 HydrophobicContact CB-CD1 4.29Å
1032	D	84.1	Confident	67	Low	138 Å²	138	79.7 Å²	79.7	74%	0.738	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.9	-173.6	-75.4	-26.4	0	0	0	114
1033	D	88.7	Confident	69.5	Low	3 Å²	3	75 Å²	75	2%	0.016	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.1	174.8	67.9	-11.3	0	0	0	114.3	Y58 K498 H502 L507 L534 D1031 L1035	Y58-D1033 PolarHBondContact OH-O 3.47Å; K498-D1033 WeakPolarHBondContact CD-OD2 3.19Å; K498-D1033 IonicContact NZ-OD1 2.71Å; K498-D1033 PolarHBondContact NZ-OD1 3Å; K498-D1033 VanDerWaalsContact NZ-OD1 3.07Å; K498-D1033 IonicContact NZ-OD2 3.68Å; K498-D1033 PolarHBondContact NZ-OD2 3.13Å; H502-D1033 IonicContact CE1-OD2 3.89Å; H502-D1033 PolarHBondContact CE1-OD2 2.6Å; H502-D1033 IonicContact NE2-OD2 3.52Å; H502-D1033 PolarHBondContact NE2-OD2 2.79Å; L507-D1033 HydrophobicContact CD2-CB 3.91Å; L534-D1033 HydrophobicContact CD2-CB 4.12Å; D1031-D1033 WeakPolarHBondContact CB-OD1 3.22Å; D1031-D1033 PolarHBondContact O-N 3.42Å; D1033-L1035 PolarHBondContact O-N 3.24Å; D1033-L1035 WeakPolarHBondContact OD1-CB 3.49Å; D1033-L1035 PolarHBondContact OD1-N 3.31Å; D1033-L1035 WeakPolarHBondContact OD2-CD1 3.33Å; D1033-L1035 WeakPolarHBondContact OD2-CG 3.47Å
1034	G	86.3	Confident	72.2	Confident	3 Å²	3	70.6 Å²	70.6	3%	0.031	38%	0.379	C	S	.	.	S	Bend	trans	73.7	5.8	-176.2	0	0	0	0	0	114.9	R59 D1031	R59-G1034 PolarHBondContact NH1-O 2.92Å; D1031-G1034 PolarHBondContact O-N 3.24Å
1035	L	88	Confident	75.2	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	37%	0.368	C	S	.	.	S	Bend	trans	-95.4	168.6	177.8	-53	-172.9	0	0	0	111.2	Y58 P72 Q501 L1030 D1031 D1033 L1037	Y58-L1035 HydrophobicContact CE1-CD2 4.46Å; P72-L1035 HydrophobicContact CG-CD1 4.44Å; P72-L1035 HydrophobicContact CG-CD2 3.83Å; Q501-L1035 HydrophobicContact CB-CD1 3.95Å; Q501-L1035 HydrophobicContact CG-CD1 4.44Å; L1030-L1035 WeakPolarHBondContact CA-O 3.46Å; D1031-L1035 PolarHBondContact N-O 3.25Å; D1033-L1035 PolarHBondContact O-N 3.24Å; D1033-L1035 WeakPolarHBondContact OD1-CB 3.49Å; D1033-L1035 PolarHBondContact OD1-N 3.31Å; D1033-L1035 WeakPolarHBondContact OD2-CD1 3.33Å; D1033-L1035 WeakPolarHBondContact OD2-CG 3.47Å; L1035-L1037 PolarHBondContact O-N 2.74Å
1036	T	81.8	Confident	77.9	Confident	46 Å²	46	66.2 Å²	66.2	28%	0.282	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-64.9	128.7	175.1	52.6	0	0	0	0	110.3	H1038	T1036-H1038 PolarHBondContact O-N 3.45Å
1037	L	78.9	Confident	80.3	Confident	91 Å²	91	66.9 Å²	66.9	48%	0.476	34%	0.339	S	S	.	.			trans	-65.9	107.5	178.5	-175.7	135	0	0	0	110.8	H1029 D1031 L1035 T1039	H1029-L1037 PolarHBondContact O-N 2.96Å; D1031-L1037 HydrophobicContact CB-CB 4.2Å; D1031-L1037 HydrophobicContact CB-CD1 4.29Å; L1035-L1037 PolarHBondContact O-N 2.74Å; L1037-T1039 WeakPolarHBondContact CD2-OG1 3.35Å
1038	H	81.8	Confident	82.5	Confident	49 Å²	49	64 Å²	64	23%	0.227	33%	0.332	C	S	.	.			trans	-72.4	132.8	172.6	175.2	89.4	0	0	0	109.8	V497 T1036	V497-H1038 HydrophobicContact CG1-CB 4.18Å; T1036-H1038 PolarHBondContact O-N 3.45Å
1039	T	74.9	Confident	84.3	Confident	67 Å²	67	63.4 Å²	63.4	41%	0.411	32%	0.321	S	S	.	.			trans	-118.6	106.7	179.5	-56.4	0	0	0	0	110.3	L1037 A1041 Q1044	L1037-T1039 WeakPolarHBondContact CD2-OG1 3.35Å; T1039-A1041 PolarHBondContact O-N 3.42Å; T1039-A1041 VanDerWaalsContact O-N 3.11Å; T1039-Q1044 HydrophobicContact CG2-CB 3.98Å; T1039-Q1044 HydrophobicContact CG2-CG 4.2Å
1040	D	82.9	Confident	85.6	Confident	14 Å²	14	62.9 Å²	62.9	8%	0.075	32%	0.319	C	S	.	.			trans	-63.8	107.9	165.1	178.9	-34.4	0	0	0	108.4	I1042 Q1043 Q1044	D1040-I1042 VanDerWaalsContact C-N 3.28Å; D1040-I1042 PolarHBondContact O-N 3.5Å; D1040-I1042 WeakPolarHBondContact OD1-CB 3.31Å; D1040-I1042 PolarHBondContact OD1-N 3Å; D1040-Q1043 HydrophobicContact CB-CB 4.08Å; D1040-Q1043 HydrophobicContact CB-CG 4.01Å; D1040-Q1043 PolarHBondContact O-N 2.92Å; D1040-Q1043 WeakPolarHBondContact OD1-CG 2.97Å; D1040-Q1043 PolarHBondContact OD1-N 2.85Å; D1040-Q1043 WeakPolarHBondContact OD2-CG 3.18Å; D1040-Q1044 WeakPolarHBondContact O-CB 3.21Å; D1040-Q1044 PolarHBondContact O-N 2.83Å
1041	A	83.6	Confident	86.2	Confident	67 Å²	67	64.4 Å²	64.4	55%	0.554	34%	0.336	S	S	*	.	H	α-helix	trans	-66.7	-30	-174	0	0	0	0	0	112.6	T1039 R1045	T1039-A1041 PolarHBondContact O-N 3.42Å; T1039-A1041 VanDerWaalsContact O-N 3.11Å; A1041-R1045 VanDerWaalsContact O-CB 3.32Å; A1041-R1045 WeakPolarHBondContact O-CB 3.38Å; A1041-R1045 PolarHBondContact O-N 3.04Å
1042	I	86.5	Confident	86.8	Confident	116 Å²	116	63.9 Å²	63.9	60%	0.595	34%	0.341	S	S	*	.	H	α-helix	trans	-70.2	-49	177.5	-59.4	176.2	0	0	0	108.7	D1040 Q1044 R1045 L1046	D1040-I1042 VanDerWaalsContact C-N 3.28Å; D1040-I1042 PolarHBondContact O-N 3.5Å; D1040-I1042 WeakPolarHBondContact OD1-CB 3.31Å; D1040-I1042 PolarHBondContact OD1-N 3Å; I1042-Q1044 VanDerWaalsContact C-N 3.35Å; I1042-Q1044 PolarHBondContact O-N 3.28Å; I1042-R1045 PolarHBondContact O-N 3.2Å; I1042-R1045 VanDerWaalsContact O-N 3.17Å; I1042-L1046 HydrophobicContact CG2-CD1 4.12Å; I1042-L1046 WeakPolarHBondContact O-CG 3.41Å; I1042-L1046 PolarHBondContact O-N 3.39Å
1043	Q	89.7	Confident	87.2	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-38.1	177.1	-59	-66.3	-33.6	0	0	111.7	N492 N544 D1040 R1045 L1046 R1047	N492-Q1043 HydrophobicContact CB-CG 3.91Å; N544-Q1043 PolarHBondContact OD1-NE2 3.28Å; D1040-Q1043 HydrophobicContact CB-CB 4.08Å; D1040-Q1043 HydrophobicContact CB-CG 4.01Å; D1040-Q1043 PolarHBondContact O-N 2.92Å; D1040-Q1043 WeakPolarHBondContact OD1-CG 2.97Å; D1040-Q1043 PolarHBondContact OD1-N 2.85Å; D1040-Q1043 WeakPolarHBondContact OD2-CG 3.18Å; Q1043-R1045 VanDerWaalsContact C-N 3.32Å; Q1043-R1045 PolarHBondContact O-N 2.88Å; Q1043-L1046 PolarHBondContact O-N 3.14Å; Q1043-R1047 VanDerWaalsContact O-CG 3.25Å; Q1043-R1047 WeakPolarHBondContact O-CG 3.35Å; Q1043-R1047 PolarHBondContact O-N 3.24Å
1044	Q	86.5	Confident	87.5	Confident	94 Å²	94	67 Å²	67	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-42.6	173.1	-167.1	-172.7	28.1	0	0	111.2	T1039 D1040 I1042 R1047 Q1048	T1039-Q1044 HydrophobicContact CG2-CB 3.98Å; T1039-Q1044 HydrophobicContact CG2-CG 4.2Å; D1040-Q1044 WeakPolarHBondContact O-CB 3.21Å; D1040-Q1044 PolarHBondContact O-N 2.83Å; I1042-Q1044 VanDerWaalsContact C-N 3.35Å; I1042-Q1044 PolarHBondContact O-N 3.28Å; Q1044-R1047 PolarHBondContact O-N 2.61Å; Q1044-Q1048 WeakPolarHBondContact O-CG 3.28Å; Q1044-Q1048 PolarHBondContact O-N 3.19Å; Q1044-Q1048 VanDerWaalsContact O-N 3.08Å
1045	R	90.1	Very high	87.9	Confident	148 Å²	148	73.2 Å²	73.2	56%	0.558	38%	0.38	S	S	*	.	H	α-helix	trans	-66.3	-40.2	177.1	-175.4	55.5	175.9	172.6	0.7	112.4	A1041 I1042 Q1043 Q1048 I1049	A1041-R1045 VanDerWaalsContact O-CB 3.32Å; A1041-R1045 WeakPolarHBondContact O-CB 3.38Å; A1041-R1045 PolarHBondContact O-N 3.04Å; I1042-R1045 PolarHBondContact O-N 3.2Å; I1042-R1045 VanDerWaalsContact O-N 3.17Å; Q1043-R1045 VanDerWaalsContact C-N 3.32Å; Q1043-R1045 PolarHBondContact O-N 2.88Å; R1045-Q1048 WeakPolarHBondContact O-CB 3.35Å; R1045-Q1048 PolarHBondContact O-N 2.95Å; R1045-I1049 HydrophobicContact CG-CD1 4.19Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.44Å; R1045-I1049 PolarHBondContact O-N 3.35Å; R1045-I1049 VanDerWaalsContact O-N 3.12Å
1046	L	90.5	Very high	88.3	Confident	42 Å²	42	78.5 Å²	78.5	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-43.4	174.9	-69.1	168.6	0	0	0	111.6	M545 L546 I1042 Q1043 Q1048 I1049 E1050	M545-L1046 HydrophobicContact CB-CB 4.42Å; M545-L1046 HydrophobicContact CB-CD1 4.21Å; M545-L1046 HydrophobicContact CE-CB 3.93Å; M545-L1046 HydrophobicContact SD-CB 3.59Å; M545-L1046 VanDerWaalsContact SD-CB 3.59Å; L546-L1046 HydrophobicContact CD1-CD1 4.2Å; L546-L1046 HydrophobicContact CD2-CD1 3.7Å; L546-L1046 HydrophobicContact CD2-CD2 4.18Å; L546-L1046 HydrophobicContact CG-CD1 3.72Å; I1042-L1046 HydrophobicContact CG2-CD1 4.12Å; I1042-L1046 WeakPolarHBondContact O-CG 3.41Å; I1042-L1046 PolarHBondContact O-N 3.39Å; Q1043-L1046 PolarHBondContact O-N 3.14Å; L1046-Q1048 VanDerWaalsContact C-N 3.33Å; L1046-Q1048 PolarHBondContact O-N 2.94Å; L1046-I1049 PolarHBondContact O-N 3.23Å; L1046-I1049 VanDerWaalsContact O-N 3.16Å; L1046-E1050 PolarHBondContact O-N 2.81Å
1047	R	88.8	Confident	89	Confident	80 Å²	80	79.1 Å²	79.1	30%	0.302	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-37.7	174.4	-67.9	168.4	-163.3	156.5	7.1	112.6	T541 M545 Q1043 Q1044 A1051	T541-R1047 PolarHBondContact O-NH2 2.94Å; M545-R1047 HydrophobicContact CE-CG 4.48Å; M545-R1047 HydrophobicContact SD-CB 4.31Å; M545-R1047 HydrophobicContact SD-CG 3.43Å; M545-R1047 WeakPolarHBondContact SD-CG 3.49Å; Q1043-R1047 VanDerWaalsContact O-CG 3.25Å; Q1043-R1047 WeakPolarHBondContact O-CG 3.35Å; Q1043-R1047 PolarHBondContact O-N 3.24Å; Q1044-R1047 PolarHBondContact O-N 2.61Å; R1047-A1051 VanDerWaalsContact O-CB 3.28Å; R1047-A1051 WeakPolarHBondContact O-CB 3.47Å; R1047-A1051 PolarHBondContact O-N 3.43Å
1048	Q	90.1	Very high	89.8	Confident	94 Å²	94	78.5 Å²	78.5	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-41.6	174.4	-71.1	168.9	7.5	0	0	111.9	Q1044 R1045 L1046 G1052	Q1044-Q1048 WeakPolarHBondContact O-CG 3.28Å; Q1044-Q1048 PolarHBondContact O-N 3.19Å; Q1044-Q1048 VanDerWaalsContact O-N 3.08Å; R1045-Q1048 WeakPolarHBondContact O-CB 3.35Å; R1045-Q1048 PolarHBondContact O-N 2.95Å; L1046-Q1048 VanDerWaalsContact C-N 3.33Å; L1046-Q1048 PolarHBondContact O-N 2.94Å; Q1048-G1052 PolarHBondContact O-N 3.2Å
1049	I	92.8	Very high	90.5	Very high	71 Å²	71	79.2 Å²	79.2	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-68	-46.7	179.1	-66.7	163.3	0	0	0	110.4	R1045 L1046 A1051 G1052 H1053	R1045-I1049 HydrophobicContact CG-CD1 4.19Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.44Å; R1045-I1049 PolarHBondContact O-N 3.35Å; R1045-I1049 VanDerWaalsContact O-N 3.12Å; L1046-I1049 PolarHBondContact O-N 3.23Å; L1046-I1049 VanDerWaalsContact O-N 3.16Å; I1049-A1051 PolarHBondContact O-N 3.22Å; I1049-G1052 PolarHBondContact O-N 2.77Å; I1049-H1053 VanDerWaalsContact CG2-CE1 3.41Å; I1049-H1053 WeakPolarHBondContact CG2-CE1 3.36Å; I1049-H1053 PolarHBondContact O-N 3.15Å
1050	E	90.3	Very high	91.5	Very high	117 Å²	117	80 Å²	80	55%	0.547	41%	0.413	S	S	.	.	H	α-helix	trans	-57.2	-48.7	175	-178.2	-175.2	-154.5	0	0	111.9	M545 L1046 G1052 H1053 Q1054	M545-E1050 HydrophobicContact CE-CB 3.88Å; M545-E1050 HydrophobicContact CE-CG 4.38Å; M545-E1050 WeakPolarHBondContact CE-OE2 3.22Å; L1046-E1050 PolarHBondContact O-N 2.81Å; E1050-G1052 VanDerWaalsContact C-N 3.31Å; E1050-G1052 PolarHBondContact O-N 2.82Å; E1050-H1053 PolarHBondContact O-N 3.23Å; E1050-Q1054 WeakPolarHBondContact O-CB 3.1Å; E1050-Q1054 PolarHBondContact O-N 3.21Å
1051	A	91.4	Very high	92.1	Very high	61 Å²	61	85.7 Å²	85.7	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-36.2	178.1	0	0	0	0	0	112.7	R1047 I1049 M1055	R1047-A1051 VanDerWaalsContact O-CB 3.28Å; R1047-A1051 WeakPolarHBondContact O-CB 3.47Å; R1047-A1051 PolarHBondContact O-N 3.43Å; I1049-A1051 PolarHBondContact O-N 3.22Å; A1051-M1055 WeakPolarHBondContact O-CB 3.42Å; A1051-M1055 PolarHBondContact O-N 3.24Å
1052	G	94.7	Very high	92.7	Very high	33 Å²	33	88 Å²	88	34%	0.34	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-53.6	173.3	0	0	0	0	0	112.2	Q1048 I1049 E1050 Q1054 M1055 E1056	Q1048-G1052 PolarHBondContact O-N 3.2Å; I1049-G1052 PolarHBondContact O-N 2.77Å; E1050-G1052 VanDerWaalsContact C-N 3.31Å; E1050-G1052 PolarHBondContact O-N 2.82Å; G1052-Q1054 VanDerWaalsContact C-N 3.34Å; G1052-Q1054 PolarHBondContact O-N 2.78Å; G1052-M1055 PolarHBondContact O-N 2.67Å; G1052-E1056 PolarHBondContact O-N 3.36Å; G1052-E1056 VanDerWaalsContact O-N 3.07Å
1053	H	93.7	Very high	93.2	Very high	113 Å²	113	87.6 Å²	87.6	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-39.5	177.6	-63.7	155.8	0	0	0	112.3	I1049 E1050 M1055 E1056 V1057	I1049-H1053 VanDerWaalsContact CG2-CE1 3.41Å; I1049-H1053 WeakPolarHBondContact CG2-CE1 3.36Å; I1049-H1053 PolarHBondContact O-N 3.15Å; E1050-H1053 PolarHBondContact O-N 3.23Å; H1053-M1055 PolarHBondContact O-N 3.36Å; H1053-E1056 PolarHBondContact O-N 3.17Å; H1053-V1057 WeakPolarHBondContact O-CB 3.36Å; H1053-V1057 WeakPolarHBondContact O-CG2 3.45Å; H1053-V1057 PolarHBondContact O-N 3.46Å
1054	Q	93.9	Very high	93.6	Very high	94 Å²	94	91 Å²	91	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-39.9	176.8	174.1	58.7	24.4	0	0	111.9	E1050 G1052 E1056 V1057 E1058	E1050-Q1054 WeakPolarHBondContact O-CB 3.1Å; E1050-Q1054 PolarHBondContact O-N 3.21Å; G1052-Q1054 VanDerWaalsContact C-N 3.34Å; G1052-Q1054 PolarHBondContact O-N 2.78Å; Q1054-E1056 VanDerWaalsContact C-N 3.34Å; Q1054-V1057 PolarHBondContact O-N 2.73Å; Q1054-E1058 PolarHBondContact NE2-OE1 3.42Å; Q1054-E1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-E1058 PolarHBondContact O-N 3.44Å
1055	M	95.1	Very high	94	Very high	132 Å²	132	93.4 Å²	93.4	65%	0.65	46%	0.462	S	S	*	.	H	α-helix	trans	-64.9	-37.8	174.8	-176.3	179.8	66.2	0	0	112.1	A1051 G1052 H1053 T1059	A1051-M1055 WeakPolarHBondContact O-CB 3.42Å; A1051-M1055 PolarHBondContact O-N 3.24Å; G1052-M1055 PolarHBondContact O-N 2.67Å; H1053-M1055 PolarHBondContact O-N 3.36Å; M1055-T1059 WeakPolarHBondContact O-CB 3.43Å; M1055-T1059 PolarHBondContact O-N 2.81Å; M1055-T1059 PolarHBondContact O-OG1 3.49Å
1056	E	96	Very high	94.3	Very high	114 Å²	114	91 Å²	91	53%	0.533	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-48.8	174.1	-177.4	170.9	-157.6	0	0	111.6	G1052 H1053 Q1054 E1058 T1059 L1060	G1052-E1056 PolarHBondContact O-N 3.36Å; G1052-E1056 VanDerWaalsContact O-N 3.07Å; H1053-E1056 PolarHBondContact O-N 3.17Å; Q1054-E1056 VanDerWaalsContact C-N 3.34Å; E1056-E1058 VanDerWaalsContact C-N 3.28Å; E1056-E1058 PolarHBondContact O-N 2.99Å; E1056-T1059 CarbonylContact O-C 3.52Å; E1056-T1059 WeakPolarHBondContact O-CA 3.34Å; E1056-T1059 WeakPolarHBondContact O-CB 3.45Å; E1056-T1059 PolarHBondContact O-N 3.42Å; E1056-L1060 HydrophobicContact CG-CD1 4.09Å; E1056-L1060 HydrophobicContact CG-CG 4.46Å; E1056-L1060 WeakPolarHBondContact O-CG 3.27Å; E1056-L1060 PolarHBondContact O-N 3.47Å
1057	V	96	Very high	94.5	Very high	59 Å²	59	94 Å²	94	36%	0.358	47%	0.473	S	S	.	.	H	α-helix	trans	-57.1	-40.5	175.6	166.4	0	0	0	0	111.6	H1053 Q1054 K1061	H1053-V1057 WeakPolarHBondContact O-CB 3.36Å; H1053-V1057 WeakPolarHBondContact O-CG2 3.45Å; H1053-V1057 PolarHBondContact O-N 3.46Å; Q1054-V1057 PolarHBondContact O-N 2.73Å; V1057-K1061 HydrophobicContact CG1-CD 4.01Å; V1057-K1061 WeakPolarHBondContact O-CB 3.41Å; V1057-K1061 VanDerWaalsContact O-CG 3.23Å; V1057-K1061 WeakPolarHBondContact O-CG 3.4Å; V1057-K1061 PolarHBondContact O-N 3.47Å
1058	E	96	Very high	94.7	Very high	78 Å²	78	96.8 Å²	96.8	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-36.1	173.1	-85.2	-170	-141	0	0	113.6	Q1054 E1056 K1062	Q1054-E1058 PolarHBondContact NE2-OE1 3.42Å; Q1054-E1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-E1058 PolarHBondContact O-N 3.44Å; E1056-E1058 VanDerWaalsContact C-N 3.28Å; E1056-E1058 PolarHBondContact O-N 2.99Å; E1058-K1062 WeakPolarHBondContact O-CB 3.37Å; E1058-K1062 VanDerWaalsContact O-CD 3.23Å; E1058-K1062 WeakPolarHBondContact O-CD 3.4Å; E1058-K1062 WeakPolarHBondContact O-CG 3.42Å; E1058-K1062 PolarHBondContact O-N 3.17Å; E1058-K1062 IonicContact OE2-NZ 3.39Å; E1058-K1062 PolarHBondContact OE2-NZ 3.17Å
1059	T	96.9	Very high	94.8	Very high	64 Å²	64	94.7 Å²	94.7	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-44.9	176.7	-60.1	0	0	0	0	110.5	M1055 E1056 K1062 Q1063	M1055-T1059 WeakPolarHBondContact O-CB 3.43Å; M1055-T1059 PolarHBondContact O-N 2.81Å; M1055-T1059 PolarHBondContact O-OG1 3.49Å; E1056-T1059 CarbonylContact O-C 3.52Å; E1056-T1059 WeakPolarHBondContact O-CA 3.34Å; E1056-T1059 WeakPolarHBondContact O-CB 3.45Å; E1056-T1059 PolarHBondContact O-N 3.42Å; T1059-K1062 PolarHBondContact O-N 3.22Å; T1059-Q1063 WeakPolarHBondContact O-CG 3.49Å; T1059-Q1063 PolarHBondContact O-N 3.07Å
1060	L	96.8	Very high	94.7	Very high	84 Å²	84	98 Å²	98	44%	0.44	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.6	-68.1	170.3	0	0	0	111.5	E1056 K1062 Q1063 V1064	E1056-L1060 HydrophobicContact CG-CD1 4.09Å; E1056-L1060 HydrophobicContact CG-CG 4.46Å; E1056-L1060 WeakPolarHBondContact O-CG 3.27Å; E1056-L1060 PolarHBondContact O-N 3.47Å; L1060-K1062 VanDerWaalsContact C-N 3.34Å; L1060-K1062 PolarHBondContact O-N 3.32Å; L1060-Q1063 PolarHBondContact O-N 3.11Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.47Å; L1060-V1064 PolarHBondContact O-N 3.35Å
1061	K	95.6	Very high	94.8	Very high	132 Å²	132	96.3 Å²	96.3	57%	0.574	48%	0.481	S	S	*	.	H	α-helix	trans	-58.4	-42.6	174.1	-77.5	168.8	-179.9	171.9	0	112.3	V1057 V1064 Q1065	V1057-K1061 HydrophobicContact CG1-CD 4.01Å; V1057-K1061 WeakPolarHBondContact O-CB 3.41Å; V1057-K1061 VanDerWaalsContact O-CG 3.23Å; V1057-K1061 WeakPolarHBondContact O-CG 3.4Å; V1057-K1061 PolarHBondContact O-N 3.47Å; K1061-V1064 PolarHBondContact O-N 3.25Å; K1061-Q1065 WeakPolarHBondContact O-CB 3.32Å; K1061-Q1065 PolarHBondContact O-N 3.35Å
1062	K	96.4	Very high	94.6	Very high	117 Å²	117	97.9 Å²	97.9	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-65.8	-39.8	176.2	-70.2	157.4	-164.4	160.1	0	111.7	E1058 T1059 L1060 Q1065 E1066	E1058-K1062 WeakPolarHBondContact O-CB 3.37Å; E1058-K1062 VanDerWaalsContact O-CD 3.23Å; E1058-K1062 WeakPolarHBondContact O-CD 3.4Å; E1058-K1062 WeakPolarHBondContact O-CG 3.42Å; E1058-K1062 PolarHBondContact O-N 3.17Å; E1058-K1062 IonicContact OE2-NZ 3.39Å; E1058-K1062 PolarHBondContact OE2-NZ 3.17Å; T1059-K1062 PolarHBondContact O-N 3.22Å; L1060-K1062 VanDerWaalsContact C-N 3.34Å; L1060-K1062 PolarHBondContact O-N 3.32Å; K1062-Q1065 PolarHBondContact O-N 3.22Å; K1062-E1066 WeakPolarHBondContact O-CB 3.36Å; K1062-E1066 PolarHBondContact O-N 3.49Å
1063	Q	96.4	Very high	94.1	Very high	106 Å²	106	101.4 Å²	101.4	50%	0.495	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-44.4	174.1	-71.6	173.9	5.8	0	0	112.4	T1059 L1060 E1066 L1067	T1059-Q1063 WeakPolarHBondContact O-CG 3.49Å; T1059-Q1063 PolarHBondContact O-N 3.07Å; L1060-Q1063 PolarHBondContact O-N 3.11Å; Q1063-E1066 PolarHBondContact O-N 3.18Å; Q1063-L1067 WeakPolarHBondContact O-CG 3.2Å; Q1063-L1067 PolarHBondContact O-N 2.91Å
1064	V	96.9	Very high	93.3	Very high	79 Å²	79	102.6 Å²	102.6	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-46.8	175.2	169.7	0	0	0	0	110.5	L1060 K1061 E1066 L1067 W1068	L1060-V1064 WeakPolarHBondContact O-CG2 3.47Å; L1060-V1064 PolarHBondContact O-N 3.35Å; K1061-V1064 PolarHBondContact O-N 3.25Å; V1064-E1066 PolarHBondContact O-N 3.09Å; V1064-L1067 PolarHBondContact O-N 3.24Å; V1064-L1067 VanDerWaalsContact O-N 3.15Å; V1064-W1068 VanDerWaalsContact O-CD1 3.3Å; V1064-W1068 PolarHBondContact O-N 2.95Å
1065	Q	95.7	Very high	92.3	Very high	144 Å²	144	104 Å²	104	67%	0.673	50%	0.502	S	S	*	.	H	α-helix	trans	-62	-40.1	178.6	-170.1	175.6	12.4	0	0	112.8	K1061 K1062 W1068 S1069	K1061-Q1065 WeakPolarHBondContact O-CB 3.32Å; K1061-Q1065 PolarHBondContact O-N 3.35Å; K1062-Q1065 PolarHBondContact O-N 3.22Å; Q1065-W1068 PolarHBondContact O-N 3.26Å; Q1065-S1069 PolarHBondContact O-N 2.94Å
1066	E	95.8	Very high	90.8	Very high	96 Å²	96	104 Å²	104	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-40.3	173.1	173.7	67	-171.1	0	0	112	K1062 Q1063 V1064 S1069 R1070	K1062-E1066 WeakPolarHBondContact O-CB 3.36Å; K1062-E1066 PolarHBondContact O-N 3.49Å; Q1063-E1066 PolarHBondContact O-N 3.18Å; V1064-E1066 PolarHBondContact O-N 3.09Å; E1066-S1069 PolarHBondContact O-N 2.94Å; E1066-R1070 VanDerWaalsContact O-CG 3.26Å; E1066-R1070 WeakPolarHBondContact O-CG 3.28Å; E1066-R1070 PolarHBondContact O-N 3.24Å; E1066-R1070 IonicContact OE1-CZ 3.37Å; E1066-R1070 IonicContact OE1-NE 2.7Å; E1066-R1070 PolarHBondContact OE1-NE 2.99Å; E1066-R1070 IonicContact OE1-NH2 3.07Å; E1066-R1070 PolarHBondContact OE1-NH2 2.85Å
1067	L	95.1	Very high	89.1	Confident	107 Å²	107	101.9 Å²	101.9	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-41.9	176	-71.7	170	0	0	0	112.2	Q1063 V1064 R1070 L1071	Q1063-L1067 WeakPolarHBondContact O-CG 3.2Å; Q1063-L1067 PolarHBondContact O-N 2.91Å; V1064-L1067 PolarHBondContact O-N 3.24Å; V1064-L1067 VanDerWaalsContact O-N 3.15Å; L1067-R1070 PolarHBondContact O-N 3.47Å; L1067-L1071 PolarHBondContact O-N 3.43Å
1068	W	93.1	Very high	87.3	Confident	138 Å²	138	101.1 Å²	101.1	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.3	-87.3	90.6	0	0	0	111.6	V1064 Q1065 R1070 L1071 E1072	V1064-W1068 VanDerWaalsContact O-CD1 3.3Å; V1064-W1068 PolarHBondContact O-N 2.95Å; Q1065-W1068 PolarHBondContact O-N 3.26Å; W1068-R1070 VanDerWaalsContact C-N 3.29Å; W1068-R1070 PolarHBondContact O-N 2.92Å; W1068-L1071 WeakPolarHBondContact O-CB 3.49Å; W1068-L1071 PolarHBondContact O-N 3.18Å; W1068-E1072 WeakPolarHBondContact O-CG 3.42Å; W1068-E1072 PolarHBondContact O-N 3.21Å
1069	S	91.9	Very high	85.3	Confident	49 Å²	49	101.5 Å²	101.5	34%	0.343	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-36.5	177.9	-168.4	0	0	0	0	112.2	Q1065 E1066 N1073	Q1065-S1069 PolarHBondContact O-N 2.94Å; E1066-S1069 PolarHBondContact O-N 2.94Å; S1069-N1073 WeakPolarHBondContact O-CB 3.38Å; S1069-N1073 PolarHBondContact O-N 2.89Å; S1069-N1073 PolarHBondContact O-ND2 3.3Å
1070	R	92.1	Very high	83.1	Confident	140 Å²	140	107 Å²	107	53%	0.528	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-39.4	172.5	-72.5	171.1	-173.1	-173.1	7.9	112.4	E1066 L1067 W1068 Q1074	E1066-R1070 VanDerWaalsContact O-CG 3.26Å; E1066-R1070 WeakPolarHBondContact O-CG 3.28Å; E1066-R1070 PolarHBondContact O-N 3.24Å; E1066-R1070 IonicContact OE1-CZ 3.37Å; E1066-R1070 IonicContact OE1-NE 2.7Å; E1066-R1070 PolarHBondContact OE1-NE 2.99Å; E1066-R1070 IonicContact OE1-NH2 3.07Å; E1066-R1070 PolarHBondContact OE1-NH2 2.85Å; L1067-R1070 PolarHBondContact O-N 3.47Å; W1068-R1070 VanDerWaalsContact C-N 3.29Å; W1068-R1070 PolarHBondContact O-N 2.92Å; R1070-Q1074 WeakPolarHBondContact O-CG 3.35Å; R1070-Q1074 PolarHBondContact O-N 2.89Å
1071	L	91.1	Very high	81	Confident	82 Å²	82	113.8 Å²	113.8	43%	0.429	56%	0.558	S	S	.	*	H	α-helix	trans	-66.2	-45.8	177.3	-175.3	64.1	0	0	0	111.5	L1067 W1068 N1073 Q1074 Q1075	L1067-L1071 PolarHBondContact O-N 3.43Å; W1068-L1071 WeakPolarHBondContact O-CB 3.49Å; W1068-L1071 PolarHBondContact O-N 3.18Å; L1071-N1073 PolarHBondContact O-N 3.02Å; L1071-Q1074 PolarHBondContact O-N 3.2Å; L1071-Q1074 VanDerWaalsContact O-N 3.17Å; L1071-Q1075 WeakPolarHBondContact O-CG 3.14Å; L1071-Q1075 PolarHBondContact O-N 3.46Å
1072	E	88.3	Confident	78.9	Confident	95 Å²	95	114.9 Å²	114.9	44%	0.444	57%	0.568	S	S	.	*	H	α-helix	trans	-59.1	-45.1	174.5	-70.8	174.3	167.2	0	0	111.8	W1068 Q1074 Q1075 H1076	W1068-E1072 WeakPolarHBondContact O-CG 3.42Å; W1068-E1072 PolarHBondContact O-N 3.21Å; E1072-Q1074 VanDerWaalsContact C-N 3.29Å; E1072-Q1074 PolarHBondContact O-N 2.83Å; E1072-Q1075 PolarHBondContact O-N 2.9Å; E1072-H1076 PolarHBondContact O-N 3.16Å; E1072-H1076 PolarHBondContact O-ND1 3.01Å
1073	N	83.1	Confident	76.3	Confident	106 Å²	106	117.4 Å²	117.4	57%	0.567	59%	0.587	S	S	*	*	H	α-helix	trans	-62.2	-35.7	176.2	-83.2	-72.4	0	0	0	112.2	S1069 L1071 A1077	S1069-N1073 WeakPolarHBondContact O-CB 3.38Å; S1069-N1073 PolarHBondContact O-N 2.89Å; S1069-N1073 PolarHBondContact O-ND2 3.3Å; L1071-N1073 PolarHBondContact O-N 3.02Å; N1073-A1077 WeakPolarHBondContact O-CB 3.46Å; N1073-A1077 PolarHBondContact O-N 3.06Å
1074	Q	78.1	Confident	73.5	Confident	138 Å²	138	115.8 Å²	115.8	65%	0.645	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-38.3	173.3	-73.4	178.4	18.3	0	0	112.5	R1070 L1071 E1072 A1077 G1078	R1070-Q1074 WeakPolarHBondContact O-CG 3.35Å; R1070-Q1074 PolarHBondContact O-N 2.89Å; L1071-Q1074 PolarHBondContact O-N 3.2Å; L1071-Q1074 VanDerWaalsContact O-N 3.17Å; E1072-Q1074 VanDerWaalsContact C-N 3.29Å; E1072-Q1074 PolarHBondContact O-N 2.83Å; Q1074-A1077 PolarHBondContact O-N 3.2Å; Q1074-G1078 PolarHBondContact O-N 3.11Å
1075	Q	71.4	Confident	71.2	Confident	124 Å²	124	119.6 Å²	119.6	58%	0.579	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-44.1	174.8	-70.4	177.7	0.3	0	0	111.8	L1071 E1072 A1077 G1078 S1079	L1071-Q1075 WeakPolarHBondContact O-CG 3.14Å; L1071-Q1075 PolarHBondContact O-N 3.46Å; E1072-Q1075 PolarHBondContact O-N 2.9Å; Q1075-A1077 PolarHBondContact O-N 3.34Å; Q1075-G1078 PolarHBondContact O-N 2.95Å; Q1075-S1079 PolarHBondContact O-N 2.9Å
1076	H	65.2	Low	68.6	Low	131 Å²	131	119 Å²	119	61%	0.606	62%	0.623	S	S	*	*	H	α-helix	trans	-63.5	-40.8	175.1	-73.4	82.1	0	0	0	112.2	E1072 G1078 S1079	E1072-H1076 PolarHBondContact O-N 3.16Å; E1072-H1076 PolarHBondContact O-ND1 3.01Å; H1076-G1078 VanDerWaalsContact C-N 3.31Å; H1076-G1078 PolarHBondContact O-N 2.88Å; H1076-S1079 PolarHBondContact O-N 3.16Å
1077	A	60.6	Low	65.8	Low	70 Å²	70	117.8 Å²	117.8	58%	0.579	64%	0.636	S	S	*	*	H	α-helix	trans	-65.6	-31.2	173.7	0	0	0	0	0	113.1	N1073 Q1074 Q1075	N1073-A1077 WeakPolarHBondContact O-CB 3.46Å; N1073-A1077 PolarHBondContact O-N 3.06Å; Q1074-A1077 PolarHBondContact O-N 3.2Å; Q1075-A1077 PolarHBondContact O-N 3.34Å
1078	G	57.7	Low	63.2	Low	43 Å²	43	120.1 Å²	120.1	44%	0.443	65%	0.649	S	S	.	*	H	α-helix	trans	-71.6	-39.7	174	0	0	0	0	0	113.4	Q1074 Q1075 H1076 H1080 R1081	Q1074-G1078 PolarHBondContact O-N 3.11Å; Q1075-G1078 PolarHBondContact O-N 2.95Å; H1076-G1078 VanDerWaalsContact C-N 3.31Å; H1076-G1078 PolarHBondContact O-N 2.88Å; G1078-H1080 PolarHBondContact O-N 3.34Å; G1078-R1081 PolarHBondContact O-N 2.89Å; G1078-R1081 VanDerWaalsContact O-N 3.14Å
1079	S	52.6	Low	60.7	Low	87 Å²	87	121.1 Å²	121.1	61%	0.608	66%	0.66	S	S	*	*	H	α-helix	trans	-58.6	-34.4	-178	-166.4	0	0	0	0	113	Q1075 H1076 R1081 I1082	Q1075-S1079 PolarHBondContact O-N 2.9Å; H1076-S1079 PolarHBondContact O-N 3.16Å; S1079-R1081 PolarHBondContact O-N 3.27Å; S1079-I1082 PolarHBondContact O-N 2.78Å
1080	H	51.2	Low	58.1	Low	179 Å²	179	125.1 Å²	125.1	83%	0.829	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	8.1	175.8	-86.7	-68.7	0	0	0	116	G1078	G1078-H1080 PolarHBondContact O-N 3.34Å
1081	R	52.4	Low	55.5	Low	227 Å²	227	123.7 Å²	123.7	86%	0.857	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-2.4	172.9	-72	-169.5	171.7	-166.5	-1.5	115.6	G1078 S1079	G1078-R1081 PolarHBondContact O-N 2.89Å; G1078-R1081 VanDerWaalsContact O-N 3.14Å; S1079-R1081 PolarHBondContact O-N 3.27Å
1082	I	51.1	Low	52.8	Low	154 Å²	154	124.3 Å²	124.3	79%	0.79	70%	0.695	S	S	*	*			trans	-129.7	87.4	176.4	-51.2	-179.3	0	0	0	109.9	S1079	S1079-I1082 PolarHBondContact O-N 2.78Å
1083	N	41.9	Very low	50.1	Low	170 Å²	170	127.9 Å²	127.9	91%	0.909	71%	0.713	S	S	*	*			trans	-145.5	122.3	153.3	-147.1	-12.2	0	0	0	108.6
1084	G	37.9	Very low	47.8	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	72%	0.717	S	S	*	*			trans	-164.4	51.6	-153.3	0	0	0	0	0	114.6
1085	D	48.2	Very low	45.8	Very low	159 Å²	159	128 Å²	128	85%	0.85	72%	0.723	S	S	*	*			trans	79.4	159.4	164.1	-156.1	21.1	0	0	0	118.6
1086	V	41.2	Very low	43.9	Very low	132 Å²	132	127.3 Å²	127.3	80%	0.8	73%	0.732	S	S	*	*			trans	79.3	121.3	-179.4	-168.6	0	0	0	0	116.2
1087	G	38.8	Very low	43.2	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	75%	0.745	S	S	*	*			trans	-143.6	-179	164	0	0	0	0	0	110.2
1088	D	39.3	Very low	42	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	76%	0.755	S	S	*	*			trans	-180	164.9	131.6	-138.7	-21.2	0	0	0	113
1089	E	41.7	Very low	40.9	Very low	158 Å²	158	141.4 Å²	141.4	74%	0.738	77%	0.772	S	S	*	*			trans	57.9	143.9	153.7	-75.4	-161.2	140	0	0	126.1
1090	L	35.8	Very low	39.9	Very low	133 Å²	133	144.8 Å²	144.8	70%	0.696	78%	0.782	S	S	*	*			trans	81.1	104.8	143.7	-101	66.6	0	0	0	125.6
1091	T	37.5	Very low	38.9	Very low	111 Å²	111	142.8 Å²	142.8	68%	0.681	78%	0.777	S	S	*	*				46.2	106.4	125.5	60.8	0	0	0	0	124.5
1092	S	35.5	Very low	38.5	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	77%	0.772	S	S	*	*				46.9	139.1	109.7	77.1	0	0	0	0	125.1
1093	M	31.2	Very low	37.7	Very low	169 Å²	169	137 Å²	137	83%	0.833	77%	0.772	S	S	*	*			trans	71.9	153.3	155.6	-58.3	-158.3	-53.6	0	0	117.8
1094	T	35.5	Very low	37.1	Very low	104 Å²	104	133.9 Å²	133.9	64%	0.638	76%	0.762	S	S	*	*			cis	-164.4	160.4	-16.4	24.1	0	0	0	0	109.1
1095	D	34.5	Very low	36.6	Very low	144 Å²	144	138 Å²	138	77%	0.77	77%	0.766	S	S	*	*			trans	36.6	128.2	150.9	-51.2	-9.3	0	0	0	122.6
1096	S	32.7	Very low	35.8	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	76%	0.755	S	S	*	*				167.4	153.5	108.2	46.4	0	0	0	0	114.1
1097	E	49.5	Very low	35.3	Very low	190 Å²	190	139.8 Å²	139.8	89%	0.888	76%	0.76	S	S	*	*			trans	-109.7	130.6	178.5	-49.6	171.3	113	0	0	112
1098	Y	36.6	Very low	34.9	Very low	202 Å²	202	141.7 Å²	141.7	79%	0.792	76%	0.761	S	S	*	*			trans	-168.4	120.6	143.5	40.8	-103.3	0	0	0	116.2
1099	N	33.2	Very low	34.6	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	76%	0.756	S	S	*	*			trans	46.7	139.8	132.4	-72.8	-65.6	0	0	0	125.2
1100	L	32.3	Very low	33.9	Very low	157 Å²	157	137.8 Å²	137.8	82%	0.822	76%	0.758	S	S	*	*			trans	72.8	145.4	157.7	-61.2	155.1	0	0	0	116.7
1101	D	30.3	Very low	33.5	Very low	137 Å²	137	139 Å²	139	73%	0.733	76%	0.76	S	S	*	*			cis	-144	151.6	7.2	-162.4	47.3	0	0	0	110.3	N1103	D1101-N1103 PolarHBondContact O-N 2.83Å
1102	P	44.8	Very low	33.2	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	76%	0.759	S	S	*	*			trans	-98.8	86.2	-161.9	37	-32.8	0	0	0	114.8
1103	N	32.7	Very low	32.8	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	76%	0.763	S	S	*	*			trans	-153.4	149.9	160.5	-132.9	-37.4	0	0	0	113.6	D1101	D1101-N1103 PolarHBondContact O-N 2.83Å
1104	C	30.6	Very low	32.7	Very low	104 Å²	104	141 Å²	141	70%	0.703	76%	0.763	S	S	*	*			trans	-18.8	130.8	-176.5	-57.4	0	0	0	0	117.3
1105	L	26.4	Very low	32.6	Very low	159 Å²	159	144 Å²	144	83%	0.832	77%	0.77	S	S	*	*				-153.9	153.2	53.7	-77.7	166.9	0	0	0	115.2
1106	S	31.4	Very low	32.4	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	77%	0.774	S	S	*	*			trans	-2.7	151.6	156.8	72	0	0	0	0	122.6
1107	R	31.9	Very low	32.3	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	77%	0.774	S	S	*	*			trans	86.9	132.3	160.9	-59.2	169.4	180	-175	-1.9	114.7
1108	C	30.2	Very low	31.5	Very low	111 Å²	111	143.3 Å²	143.3	75%	0.75	77%	0.771	S	S	*	*			cis	-158.1	159.2	-3.3	-163	0	0	0	0	112
1109	S	31.6	Very low	31.4	Very low	104 Å²	104	142 Å²	142	73%	0.727	77%	0.772	S	S	*	*			trans	70.3	143.8	171.3	-53.2	0	0	0	0	114.3
1110	T	27.4	Very low	31.6	Very low	127 Å²	127	144.2 Å²	144.2	78%	0.779	78%	0.777	S	S	*	*			cis	-142.8	163.4	12.1	-13.5	0	0	0	0	106.8
1111	E	28.3	Very low	31.8	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	77%	0.769	S	S	*	*			cis	-143.6	152.5	22.9	-65.9	-165.2	152.3	0	0	114.5
1112	L	30.8	Very low	32.3	Very low	123 Å²	123	140.2 Å²	140.2	64%	0.644	76%	0.76	S	S	*	*			trans	33	115.9	133.3	-53.1	170.8	0	0	0	118.4
1113	F	27	Very low	31.9	Very low	173 Å²	173	143.2 Å²	143.2	76%	0.759	76%	0.762	S	S	*	*			cis	-139.7	148.4	6.7	-89	-88.5	0	0	0	111.2
1114	S	29.2	Very low	32.1	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	76%	0.76	S	S	*	*			trans	-95.1	125.1	178.9	-54.4	0	0	0	0	113.5
1115	E	32.3	Very low	32.4	Very low	168 Å²	168	145 Å²	145	79%	0.785	76%	0.76	S	S	*	*			trans	2.1	107.3	148.2	-57	177.4	113.5	0	0	119.2
1116	A	30.9	Very low	33	Very low	104 Å²	104	142.6 Å²	142.6	86%	0.86	75%	0.751	S	S	*	*				-158.2	137.7	123.3	0	0	0	0	0	107.5
1117	S	30.1	Very low	33.3	Very low	109 Å²	109	145 Å²	145	76%	0.762	75%	0.753	S	S	*	*			cis	-136.7	124.1	13.5	178.7	0	0	0	0	110.3
1118	W	32.6	Very low	33.8	Very low	216 Å²	216	139 Å²	139	82%	0.818	74%	0.743	S	S	*	*			trans	-83.1	115.9	164	-72.9	107	0	0	0	108.8
1119	E	35.2	Very low	34.6	Very low	175 Å²	175	136.2 Å²	136.2	82%	0.818	72%	0.722	S	S	*	*			trans	-68.4	134.6	161.5	-74.7	-169.7	131.4	0	0	109.1	V1121	E1119-V1121 PolarHBondContact O-N 2.74Å
1120	Q	37.1	Very low	35.7	Very low	193 Å²	193	141.6 Å²	141.6	90%	0.902	73%	0.726	S	S	*	*			trans	-82.5	89.6	-172	-173	170.8	16.1	0	0	109.3	D1122	Q1120-D1122 PolarHBondContact O-N 3.05Å
1121	V	36.6	Very low	37.4	Very low	105 Å²	105	140.6 Å²	140.6	64%	0.636	71%	0.708	S	S	*	*			trans	-51	127.9	169.4	-178.1	0	0	0	0	108.4	E1119 D1125	E1119-V1121 PolarHBondContact O-N 2.74Å; V1121-D1125 HydrophobicContact CG1-CB 4.27Å
1122	D	41.2	Very low	39.4	Very low	105 Å²	105	137.5 Å²	137.5	56%	0.561	69%	0.69	S	S	*	*			trans	-69.7	148.1	-174.2	-149.6	-29.7	0	0	0	110.2	Q1120 Q1124 D1125	Q1120-D1122 PolarHBondContact O-N 3.05Å; D1122-Q1124 PolarHBondContact O-N 2.89Å; D1122-D1125 PolarHBondContact O-N 3.12Å
1123	K	36.2	Very low	41.3	Very low	177 Å²	177	133.8 Å²	133.8	77%	0.77	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-3.3	-169.8	-102.2	-173	172.9	-173	0	114.4
1124	Q	36.8	Very low	43.4	Very low	158 Å²	158	129 Å²	129	74%	0.738	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-23.1	179.7	-70	170	-21.9	0	0	112.1	D1122 T1126	D1122-Q1124 PolarHBondContact O-N 2.89Å; Q1124-T1126 PolarHBondContact O-N 3.34Å
1125	D	37.6	Very low	45.4	Very low	131 Å²	131	130.9 Å²	130.9	70%	0.701	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	6.5	-176.9	-60.5	-27.5	0	0	0	113.9	V1121 D1122	V1121-D1125 HydrophobicContact CG1-CB 4.27Å; D1122-D1125 PolarHBondContact O-N 3.12Å
1126	T	38.3	Very low	47.5	Very low	108 Å²	108	127.3 Å²	127.3	66%	0.663	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	1.4	179.4	47.4	0	0	0	0	114.5	Q1124 V1128	Q1124-T1126 PolarHBondContact O-N 3.34Å; T1126-V1128 PolarHBondContact O-N 3.11Å; T1126-V1128 VanDerWaalsContact O-N 3.15Å
1127	E	38.8	Very low	49.9	Very low	142 Å²	142	122.4 Å²	122.4	66%	0.664	60%	0.597	S	S	*	*			trans	-84.7	84.7	174.1	-68.7	-155.8	145.8	0	0	111.9	T1129	E1127-T1129 PolarHBondContact O-N 3.02Å
1128	V	41.6	Very low	52.4	Low	112 Å²	112	120.3 Å²	120.3	68%	0.679	59%	0.586	S	S	*	*			trans	-59.5	104.6	164.7	178.3	0	0	0	0	108.4	T1126 R1130 W1166	T1126-V1128 PolarHBondContact O-N 3.11Å; T1126-V1128 VanDerWaalsContact O-N 3.15Å; V1128-R1130 PolarHBondContact O-N 3.39Å; V1128-W1166 HydrophobicContact CB-CH2 4.37Å; V1128-W1166 HydrophobicContact CG1-CH2 4.19Å
1129	T	47.1	Very low	55.1	Low	51 Å²	51	114.5 Å²	114.5	31%	0.313	57%	0.568	S	S	.	*			trans	-64.5	107.4	-172.8	-65.1	0	0	0	0	110.1	E1127 W1131 W1166 C1168	E1127-T1129 PolarHBondContact O-N 3.02Å; T1129-W1131 PolarHBondContact O-N 2.73Å; T1129-W1166 VanDerWaalsContact N-CZ3 3.33Å; T1129-C1168 VanDerWaalsContact CG2-C 3.44Å; T1129-C1168 WeakPolarHBondContact CG2-O 3.16Å
1130	R	55.8	Low	57.6	Low	217 Å²	217	106.2 Å²	106.2	82%	0.819	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-69.2	127.1	-179.2	-77.4	178.5	166.1	149.8	-4.2	111.2	V1128 Y1132	V1128-R1130 PolarHBondContact O-N 3.39Å; R1130-Y1132 PolarHBondContact O-N 2.93Å
1131	W	63.1	Low	60.1	Low	107 Å²	107	104.5 Å²	104.5	41%	0.405	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-60.5	116.8	161.9	-176	-88.9	0	0	0	109.5	T1129 P1133 H1155	T1129-W1131 PolarHBondContact O-N 2.73Å; W1131-P1133 WeakPolarHBondContact O-CD 3.49Å; W1131-H1155 AromaticContact CE2-CD2 3.42Å; W1131-H1155 VanDerWaalsContact CE2-CD2 3.42Å; W1131-H1155 AromaticContact CE2-CG 3.8Å; W1131-H1155 AromaticContact CE2-NE2 3.65Å; W1131-H1155 HydrophobicContact CH2-CB 3.42Å; W1131-H1155 VanDerWaalsContact CH2-CB 3.42Å; W1131-H1155 AromaticContact CH2-CD2 3.94Å; W1131-H1155 AromaticContact CH2-CG 3.56Å; W1131-H1155 HydrophobicContact CZ2-CB 3.68Å; W1131-H1155 AromaticContact CZ2-CD2 3.39Å; W1131-H1155 WeakPolarHBondContact CZ2-CD2 3.49Å; W1131-H1155 AromaticContact CZ2-CE1 3.88Å; W1131-H1155 AromaticContact CZ2-CG 3.23Å; W1131-H1155 AromaticContact CZ2-ND1 3.58Å; W1131-H1155 AromaticContact CZ2-NE2 3.79Å; W1131-H1155 HydrophobicContact CZ3-CB 4.06Å; W1131-H1155 AromaticContact NE1-CD2 3.73Å; W1131-H1155 AromaticContact NE1-NE2 3.47Å; W1131-H1155 PolarHBondContact NE1-NE2 3.45Å
1132	Y	69.2	Low	62.5	Low	95 Å²	95	101.7 Å²	101.7	37%	0.373	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-86	118.8	-172.1	-160.4	-93.2	0	0	0	111.2	R1130 L1136 A1137 H1155 G1169 V1171	R1130-Y1132 PolarHBondContact O-N 2.93Å; Y1132-L1136 HydrophobicContact CD1-CB 4.5Å; Y1132-L1136 HydrophobicContact CE1-CB 3.71Å; Y1132-A1137 HydrophobicContact CD1-CB 4.17Å; Y1132-A1137 HydrophobicContact CE1-CB 4.15Å; Y1132-H1155 PolarHBondContact O-NE2 3.31Å; Y1132-G1169 PolarHBondContact N-O 3.42Å; Y1132-V1171 HydrophobicContact CD1-CG2 4.29Å
1133	P	71	Confident	64.7	Low	45 Å²	45	99.7 Å²	99.7	29%	0.292	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-65.2	137	-175.6	-21.9	33	0	0	0	113.4	W1131 H1135 L1136 A1137	W1131-P1133 WeakPolarHBondContact O-CD 3.49Å; P1133-H1135 PolarHBondContact O-N 2.94Å; P1133-H1135 VanDerWaalsContact O-N 3.16Å; P1133-L1136 HydrophobicContact CB-CD1 4.43Å; P1133-L1136 HydrophobicContact CB-CG 4.32Å; P1133-L1136 HydrophobicContact CG-CD1 4.09Å; P1133-L1136 PolarHBondContact O-N 3.01Å; P1133-A1137 PolarHBondContact O-N 3.09Å
1134	D	70.9	Confident	67.1	Low	72 Å²	72	98.5 Å²	98.5	39%	0.385	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-36	-179.1	-89.6	-43.9	0	0	0	113.6	L1136 A1137 K1153 H1155	D1134-L1136 VanDerWaalsContact C-N 3.26Å; D1134-L1136 PolarHBondContact O-N 3.34Å; D1134-A1137 PolarHBondContact O-N 3.29Å; D1134-K1153 HydrophobicContact CB-CD 4.23Å; D1134-K1153 PolarHBondContact O-NZ 2.91Å; D1134-K1153 VanDerWaalsContact OD1-CB 3.26Å; D1134-K1153 WeakPolarHBondContact OD1-CB 3.37Å; D1134-K1153 WeakPolarHBondContact OD1-CD 3.39Å; D1134-H1155 IonicContact OD1-CE1 3.4Å; D1134-H1155 IonicContact OD2-CE1 2.82Å; D1134-H1155 PolarHBondContact OD2-CE1 3.04Å
1135	H	72.1	Confident	69.4	Low	158 Å²	158	93.4 Å²	93.4	73%	0.731	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.5	-179.4	62.9	-100.5	0	0	0	113	P1133	P1133-H1135 PolarHBondContact O-N 2.94Å; P1133-H1135 VanDerWaalsContact O-N 3.16Å
1136	L	75	Confident	71.6	Confident	93 Å²	93	96.5 Å²	96.5	49%	0.487	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.7	172.9	-58	-177.4	0	0	0	112.4	Y1132 P1133 D1134 A1138	Y1132-L1136 HydrophobicContact CD1-CB 4.5Å; Y1132-L1136 HydrophobicContact CE1-CB 3.71Å; P1133-L1136 HydrophobicContact CB-CD1 4.43Å; P1133-L1136 HydrophobicContact CB-CG 4.32Å; P1133-L1136 HydrophobicContact CG-CD1 4.09Å; P1133-L1136 PolarHBondContact O-N 3.01Å; D1134-L1136 VanDerWaalsContact C-N 3.26Å; D1134-L1136 PolarHBondContact O-N 3.34Å; L1136-A1138 PolarHBondContact O-N 2.69Å
1137	A	81.8	Confident	73.9	Confident	2 Å²	2	92.6 Å²	92.6	2%	0.017	46%	0.456	C	S	.	.			trans	-72.5	84.7	-179	0	0	0	0	0	112.1	Y1132 P1133 D1134 F1147 K1153 V1171	Y1132-A1137 HydrophobicContact CD1-CB 4.17Å; Y1132-A1137 HydrophobicContact CE1-CB 4.15Å; P1133-A1137 PolarHBondContact O-N 3.09Å; D1134-A1137 PolarHBondContact O-N 3.29Å; A1137-F1147 HydrophobicContact CB-CD2 4.35Å; A1137-F1147 HydrophobicContact CB-CE2 4.26Å; A1137-F1147 WeakPolarHBondContact O-CD2 3.44Å; A1137-K1153 HydrophobicContact CB-CD 4.32Å; A1137-K1153 WeakPolarHBondContact O-CE 3.49Å; A1137-K1153 PolarHBondContact O-NZ 3.28Å; A1137-V1171 HydrophobicContact CB-CB 3.79Å; A1137-V1171 HydrophobicContact CB-CG1 3.88Å; A1137-V1171 HydrophobicContact CB-CG2 3.87Å
1138	A	83.2	Confident	75.8	Confident	64 Å²	64	94.7 Å²	94.7	53%	0.529	46%	0.458	S	S	.	.			trans	-76.9	-24.7	173.9	0	0	0	0	0	113.3	L1136 R1146 F1147	L1136-A1138 PolarHBondContact O-N 2.69Å; A1138-R1146 WeakPolarHBondContact O-CA 3.47Å; A1138-F1147 PolarHBondContact O-N 2.84Å
1139	Q	89.6	Confident	77.1	Confident	94 Å²	94	98.4 Å²	98.4	44%	0.439	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-141.6	152.7	-173.7	-73.3	164.8	64.3	0	0	110.8	E1144 S1145 R1146 F1147	Q1139-E1144 WeakPolarHBondContact CG-O 3.33Å; Q1139-E1144 PolarHBondContact OE1-O 3.43Å; Q1139-S1145 WeakPolarHBondContact CA-O 3.34Å; Q1139-R1146 HydrophobicContact CG-CB 4.39Å; Q1139-R1146 HydrophobicContact CG-CG 3.72Å; Q1139-F1147 VanDerWaalsContact O-CE2 3.25Å; Q1139-F1147 WeakPolarHBondContact O-CE2 3.35Å
1140	C	87.5	Confident	78.1	Confident	2 Å²	2	99.8 Å²	99.8	1%	0.014	49%	0.49	C	S	.	.			trans	-70.3	126.7	174.7	173.2	0	0	0	0	111.1	G1142 C1143 E1144 S1145 F1147 C1173	C1140-G1142 PolarHBondContact O-N 3.35Å; C1140-G1142 PolarHBondContact SG-N 2.92Å; C1140-G1142 VanDerWaalsContact SG-N 3.37Å; C1140-C1143 PolarHBondContact O-N 3.23Å; C1140-C1143 VanDerWaalsContact SG-SG 3.62Å; C1140-E1144 VanDerWaalsContact O-CA 3.28Å; C1140-E1144 WeakPolarHBondContact O-CA 3.36Å; C1140-E1144 PolarHBondContact O-N 2.76Å; C1140-S1145 PolarHBondContact N-O 3.06Å; C1140-F1147 HydrophobicContact CB-CE1 4.44Å; C1140-F1147 HydrophobicContact CB-CE2 4.23Å; C1140-F1147 HydrophobicContact CB-CZ 3.88Å; C1140-C1173 HydrophobicContact CB-CB 4.22Å; C1140-C1173 PolarHBondContact SG-N 2.76Å; C1140-C1173 VanDerWaalsContact SG-SG 3.62Å
1141	Y	88.1	Confident	78.9	Confident	156 Å²	156	91.9 Å²	91.9	61%	0.612	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	179.6	-169.7	-88.8	0	0	0	114.1	N1170 V1171 F1172	Y1141-N1170 HydrophobicContact CD1-CB 4.03Å; Y1141-N1170 HydrophobicContact CD2-CB 3.98Å; Y1141-N1170 VanDerWaalsContact CD2-CG 3.46Å; Y1141-N1170 VanDerWaalsContact CD2-OD1 3.25Å; Y1141-N1170 WeakPolarHBondContact CD2-OD1 3.27Å; Y1141-N1170 WeakPolarHBondContact CE2-OD1 3.12Å; Y1141-N1170 HydrophobicContact CG-CB 3.72Å; Y1141-V1171 WeakPolarHBondContact CB-O 3.49Å; Y1141-V1171 PolarHBondContact N-O 2.73Å; Y1141-F1172 AromaticContact CD1-CE1 3.79Å; Y1141-F1172 HydrophobicContact CD1-CE1 3.79Å; Y1141-F1172 AromaticContact CD1-CZ 3.68Å; Y1141-F1172 HydrophobicContact CD1-CZ 3.68Å; Y1141-F1172 HydrophobicContact CG-CE1 4.32Å; Y1141-F1172 HydrophobicContact CG-CZ 4.26Å
1142	G	86.8	Confident	79.5	Confident	46 Å²	46	96.6 Å²	96.6	47%	0.474	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.7	-176.2	0	0	0	0	0	116.3	C1140	C1140-G1142 PolarHBondContact O-N 3.35Å; C1140-G1142 PolarHBondContact SG-N 2.92Å; C1140-G1142 VanDerWaalsContact SG-N 3.37Å
1143	C	87.8	Confident	80.3	Confident	63 Å²	63	95.5 Å²	95.5	43%	0.426	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	9.4	-178.7	66.5	0	0	0	0	114.9	C1140 S1145	C1140-C1143 PolarHBondContact O-N 3.23Å; C1140-C1143 VanDerWaalsContact SG-SG 3.62Å; C1143-S1145 PolarHBondContact O-N 3.41Å; C1143-S1145 PolarHBondContact SG-OG 3.02Å; C1143-S1145 VanDerWaalsContact SG-OG 3.35Å
1144	E	87.3	Confident	81	Confident	152 Å²	152	95.8 Å²	95.8	71%	0.71	48%	0.478	S	S	*	.			trans	59	1.4	176.9	-57.7	179.9	179.4	0	0	115.7	Q1139 C1140 R1146	Q1139-E1144 WeakPolarHBondContact CG-O 3.33Å; Q1139-E1144 PolarHBondContact OE1-O 3.43Å; C1140-E1144 VanDerWaalsContact O-CA 3.28Å; C1140-E1144 WeakPolarHBondContact O-CA 3.36Å; C1140-E1144 PolarHBondContact O-N 2.76Å; E1144-R1146 PolarHBondContact O-N 3.04Å
1145	S	84.1	Confident	81.6	Confident	51 Å²	51	93.9 Å²	93.9	36%	0.357	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-59.6	125.7	176.8	69.8	0	0	0	0	110.8	Q1139 C1140 C1143 F1147	Q1139-S1145 WeakPolarHBondContact CA-O 3.34Å; C1140-S1145 PolarHBondContact N-O 3.06Å; C1143-S1145 PolarHBondContact O-N 3.41Å; C1143-S1145 PolarHBondContact SG-OG 3.02Å; C1143-S1145 VanDerWaalsContact SG-OG 3.35Å; S1145-F1147 PolarHBondContact O-N 3.36Å
1146	R	85.1	Confident	82.1	Confident	197 Å²	197	86.3 Å²	86.3	74%	0.743	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-58.4	134	176.1	-73.7	-177.1	176.1	-167.1	-2	111.3	A1138 Q1139 E1144	A1138-R1146 WeakPolarHBondContact O-CA 3.47Å; Q1139-R1146 HydrophobicContact CG-CB 4.39Å; Q1139-R1146 HydrophobicContact CG-CG 3.72Å; E1144-R1146 PolarHBondContact O-N 3.04Å
1147	F	85.8	Confident	81.8	Confident	26 Å²	26	83.5 Å²	83.5	11%	0.114	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-76	132.2	168.2	-70	-67.4	0	0	0	109.7	A1137 A1138 Q1139 C1140 S1145 T1151 K1153 V1171 C1173	A1137-F1147 HydrophobicContact CB-CD2 4.35Å; A1137-F1147 HydrophobicContact CB-CE2 4.26Å; A1137-F1147 WeakPolarHBondContact O-CD2 3.44Å; A1138-F1147 PolarHBondContact O-N 2.84Å; Q1139-F1147 VanDerWaalsContact O-CE2 3.25Å; Q1139-F1147 WeakPolarHBondContact O-CE2 3.35Å; C1140-F1147 HydrophobicContact CB-CE1 4.44Å; C1140-F1147 HydrophobicContact CB-CE2 4.23Å; C1140-F1147 HydrophobicContact CB-CZ 3.88Å; S1145-F1147 PolarHBondContact O-N 3.36Å; F1147-T1151 WeakPolarHBondContact CA-OG1 3.34Å; F1147-K1153 HydrophobicContact CD1-CG 3.73Å; F1147-K1153 HydrophobicContact CD2-CD 4.37Å; F1147-K1153 HydrophobicContact CD2-CG 4.06Å; F1147-K1153 HydrophobicContact CE1-CG 3.82Å; F1147-K1153 HydrophobicContact CE2-CG 4.12Å; F1147-K1153 HydrophobicContact CG-CD 4.37Å; F1147-K1153 HydrophobicContact CG-CG 3.86Å; F1147-K1153 HydrophobicContact CZ-CG 4.02Å; F1147-V1171 HydrophobicContact CE2-CB 4.49Å; F1147-V1171 HydrophobicContact CE2-CG1 3.79Å; F1147-V1171 HydrophobicContact CZ-CG1 3.8Å; F1147-C1173 HydrophobicContact CE1-CB 4.11Å
1148	W	78.6	Confident	80.4	Confident	186 Å²	186	85 Å²	85	71%	0.705	44%	0.435	S	S	*	.			trans	-140.2	176	176.9	68.4	-42.2	0	0	0	109.7	A1150 T1151	W1148-A1150 PolarHBondContact O-N 3.03Å; W1148-T1151 PolarHBondContact N-OG1 2.86Å; W1148-T1151 PolarHBondContact O-N 3.34Å; W1148-T1151 PolarHBondContact O-OG1 2.88Å
1149	L	69.1	Low	78.2	Confident	189 Å²	189	90.1 Å²	90.1	99%	0.99	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.3	-167.8	-67.1	168.7	0	0	0	115
1150	A	68.7	Low	75.5	Confident	81 Å²	81	93 Å²	93	67%	0.669	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.5	177.9	0	0	0	0	0	114.7	W1148	W1148-A1150 PolarHBondContact O-N 3.03Å
1151	T	71.8	Confident	73.3	Confident	50 Å²	50	97.2 Å²	97.2	31%	0.307	49%	0.489	S	S	.	.	S	Bend	trans	-105.9	115.6	-174.6	51.7	0	0	0	0	111.7	F1147 W1148	F1147-T1151 WeakPolarHBondContact CA-OG1 3.34Å; W1148-T1151 PolarHBondContact N-OG1 2.86Å; W1148-T1151 PolarHBondContact O-N 3.34Å; W1148-T1151 PolarHBondContact O-OG1 2.88Å
1152	R	75.6	Confident	71.2	Confident	207 Å²	207	96.2 Å²	96.2	78%	0.781	50%	0.499	S	S	*	.			trans	-70.7	143	172.6	-64.8	-175.2	-179.2	-173.4	-0.1	111.1
1153	K	86.3	Confident	68.8	Low	72 Å²	72	103 Å²	103	31%	0.313	52%	0.518	S	S	.	.			trans	-89.5	145.5	173.6	-70.5	174.4	177.4	178.2	0	109.9	D1134 A1137 F1147 V1171	D1134-K1153 HydrophobicContact CB-CD 4.23Å; D1134-K1153 PolarHBondContact O-NZ 2.91Å; D1134-K1153 VanDerWaalsContact OD1-CB 3.26Å; D1134-K1153 WeakPolarHBondContact OD1-CB 3.37Å; D1134-K1153 WeakPolarHBondContact OD1-CD 3.39Å; A1137-K1153 HydrophobicContact CB-CD 4.32Å; A1137-K1153 WeakPolarHBondContact O-CE 3.49Å; A1137-K1153 PolarHBondContact O-NZ 3.28Å; F1147-K1153 HydrophobicContact CD1-CG 3.73Å; F1147-K1153 HydrophobicContact CD2-CD 4.37Å; F1147-K1153 HydrophobicContact CD2-CG 4.06Å; F1147-K1153 HydrophobicContact CE1-CG 3.82Å; F1147-K1153 HydrophobicContact CE2-CG 4.12Å; F1147-K1153 HydrophobicContact CG-CD 4.37Å; F1147-K1153 HydrophobicContact CG-CG 3.86Å; F1147-K1153 HydrophobicContact CZ-CG 4.02Å; K1153-V1171 HydrophobicContact CB-CG1 3.71Å; K1153-V1171 HydrophobicContact CD-CG1 4.34Å; K1153-V1171 HydrophobicContact CG-CG1 3.95Å
1154	H	85.5	Confident	66.8	Low	50 Å²	50	108.3 Å²	108.3	23%	0.231	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	121.4	-179.1	-59.2	-67.2	0	0	0	110.4	F1172 C1177	H1154-F1172 PolarHBondContact N-O 2.83Å; H1154-F1172 PolarHBondContact O-N 3.09Å; H1154-C1177 WeakPolarHBondContact CB-SG 3.44Å
1155	H	84.3	Confident	64.7	Low	32 Å²	32	105.4 Å²	105.4	15%	0.148	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	153.8	171.7	-63.8	81	0	0	0	112.2	W1131 Y1132 D1134 S1157 N1170 V1171	W1131-H1155 AromaticContact CE2-CD2 3.42Å; W1131-H1155 VanDerWaalsContact CE2-CD2 3.42Å; W1131-H1155 AromaticContact CE2-CG 3.8Å; W1131-H1155 AromaticContact CE2-NE2 3.65Å; W1131-H1155 HydrophobicContact CH2-CB 3.42Å; W1131-H1155 VanDerWaalsContact CH2-CB 3.42Å; W1131-H1155 AromaticContact CH2-CD2 3.94Å; W1131-H1155 AromaticContact CH2-CG 3.56Å; W1131-H1155 HydrophobicContact CZ2-CB 3.68Å; W1131-H1155 AromaticContact CZ2-CD2 3.39Å; W1131-H1155 WeakPolarHBondContact CZ2-CD2 3.49Å; W1131-H1155 AromaticContact CZ2-CE1 3.88Å; W1131-H1155 AromaticContact CZ2-CG 3.23Å; W1131-H1155 AromaticContact CZ2-ND1 3.58Å; W1131-H1155 AromaticContact CZ2-NE2 3.79Å; W1131-H1155 HydrophobicContact CZ3-CB 4.06Å; W1131-H1155 AromaticContact NE1-CD2 3.73Å; W1131-H1155 AromaticContact NE1-NE2 3.47Å; W1131-H1155 PolarHBondContact NE1-NE2 3.45Å; Y1132-H1155 PolarHBondContact O-NE2 3.31Å; D1134-H1155 IonicContact OD1-CE1 3.4Å; D1134-H1155 IonicContact OD2-CE1 2.82Å; D1134-H1155 PolarHBondContact OD2-CE1 3.04Å; H1155-S1157 PolarHBondContact O-N 3.37Å; H1155-N1170 WeakPolarHBondContact CA-O 3.39Å; H1155-V1171 WeakPolarHBondContact NE2-CG2 3.11Å
1156	C	81.9	Confident	63.1	Low	0 Å²	0	110.2 Å²	110.2	0%	0	54%	0.54	C	S	.	.			trans	-74.1	114.9	157.9	-170.4	0	0	0	0	108.8	N1170 F1172 C1195	C1156-N1170 PolarHBondContact N-O 3.1Å; C1156-N1170 VanDerWaalsContact N-O 3.07Å; C1156-F1172 HydrophobicContact CB-CD2 4.36Å; C1156-F1172 HydrophobicContact CB-CE2 3.99Å; C1156-C1195 PolarHBondContact SG-N 2.69Å; C1156-C1195 VanDerWaalsContact SG-N 3.35Å
1157	S	68.3	Low	62.1	Low	33 Å²	33	101.9 Å²	101.9	23%	0.231	51%	0.51	C	S	.	.			trans	-59.8	131.6	-166	-48	0	0	0	0	113.8	H1155 N1167 R1193	H1155-S1157 PolarHBondContact O-N 3.37Å; S1157-N1167 VanDerWaalsContact O-CB 3.32Å; S1157-N1167 WeakPolarHBondContact O-CB 3.14Å; S1157-N1167 PolarHBondContact O-ND2 2.96Å; S1157-R1193 WeakPolarHBondContact CB-O 3.44Å; S1157-R1193 PolarHBondContact N-O 2.96Å; S1157-R1193 VanDerWaalsContact N-O 3.07Å; S1157-R1193 PolarHBondContact OG-N 2.68Å; S1157-R1193 PolarHBondContact OG-O 2.85Å
1158	G	53.4	Low	61.6	Low	34 Å²	34	102 Å²	102	35%	0.351	51%	0.514	S	S	.	.			trans	175.6	109.8	175	0	0	0	0	0	115.6
1159	R	36.1	Very low	61.4	Low	171 Å²	171	93.4 Å²	93.4	65%	0.645	48%	0.483	S	S	*	.			trans	-151.9	155.4	162.2	-87	-171.6	175.3	-144.1	10.4	106.5	Q1186	R1159-Q1186 PolarHBondContact O-NE2 3.27Å
1160	E	33.3	Very low	62.2	Low	156 Å²	156	85.9 Å²	85.9	73%	0.729	44%	0.444	S	S	*	.			cis	-132.1	-153.3	7.1	-153.5	144.8	-112.6	0	0	110
1161	A	41.4	Very low	63.1	Low	90 Å²	90	82.1 Å²	82.1	74%	0.744	41%	0.413	S	S	*	.	S	Bend	trans	-74.7	157.5	-172.3	0	0	0	0	0	114.6
1162	V	44.2	Very low	64	Low	135 Å²	135	80.1 Å²	80.1	82%	0.818	40%	0.4	S	S	*	.	S	Bend	trans	100.6	111	-179	-177.6	0	0	0	0	114.2
1163	Q	36.2	Very low	64.7	Low	187 Å²	187	71 Å²	71	87%	0.874	37%	0.367	S	S	*	.	S	Bend	trans	71.5	152	177.4	-65.5	-178.7	-15.5	0	0	117.4
1164	E	46.2	Very low	64.6	Low	176 Å²	176	70 Å²	70	82%	0.822	37%	0.372	S	S	*	.			trans	-106.9	88.3	-150	-62.1	170	136.3	0	0	113.2
1165	V	43.6	Very low	64.6	Low	90 Å²	90	71.2 Å²	71.2	55%	0.545	39%	0.387	S	S	.	.			trans	-138.7	112	162.5	-173.7	0	0	0	0	109.5	L1202	V1165-L1202 HydrophobicContact CG1-CD2 4.32Å
1166	W	50.7	Low	64.7	Low	153 Å²	153	70.8 Å²	70.8	58%	0.58	39%	0.387	S	S	*	.			trans	-85.9	128.1	-169.2	-64.3	103.1	0	0	0	114.3	V1128 T1129	V1128-W1166 HydrophobicContact CB-CH2 4.37Å; V1128-W1166 HydrophobicContact CG1-CH2 4.19Å; T1129-W1166 VanDerWaalsContact N-CZ3 3.33Å
1167	N	63.8	Low	64.9	Low	22 Å²	22	70.8 Å²	70.8	12%	0.118	39%	0.387	C	S	.	.			trans	-104.3	141.8	158.8	-84.9	-26.3	0	0	0	109.7	S1157 G1169	S1157-N1167 VanDerWaalsContact O-CB 3.32Å; S1157-N1167 WeakPolarHBondContact O-CB 3.14Å; S1157-N1167 PolarHBondContact O-ND2 2.96Å; N1167-G1169 VanDerWaalsContact C-N 3.26Å; N1167-G1169 PolarHBondContact O-N 2.76Å
1168	C	74.3	Confident	65.7	Low	29 Å²	29	72.1 Å²	72.1	20%	0.196	39%	0.391	C	S	.	.			trans	-72.9	3.9	-157	72.4	0	0	0	0	117.7	T1129 N1170 C1198	T1129-C1168 VanDerWaalsContact CG2-C 3.44Å; T1129-C1168 WeakPolarHBondContact CG2-O 3.16Å; C1168-N1170 PolarHBondContact O-N 3.12Å; C1168-N1170 PolarHBondContact O-ND2 2.83Å; C1168-C1198 PolarHBondContact N-SG 2.82Å; C1168-C1198 VanDerWaalsContact N-SG 3.44Å
1169	G	74.7	Confident	67.1	Low	5 Å²	5	73.3 Å²	73.3	5%	0.052	39%	0.388	C	S	.	.			trans	61.9	-7.3	172.5	0	0	0	0	0	118.2	Y1132 N1167	Y1132-G1169 PolarHBondContact N-O 3.42Å; N1167-G1169 VanDerWaalsContact C-N 3.26Å; N1167-G1169 PolarHBondContact O-N 2.76Å
1170	N	85.6	Confident	69.2	Low	30 Å²	30	71 Å²	71	16%	0.16	38%	0.383	C	S	.	.			trans	-83.5	161.5	-170.9	-79.8	-65.3	0	0	0	113.7	Y1141 H1155 C1156 C1168 F1172	Y1141-N1170 HydrophobicContact CD1-CB 4.03Å; Y1141-N1170 HydrophobicContact CD2-CB 3.98Å; Y1141-N1170 VanDerWaalsContact CD2-CG 3.46Å; Y1141-N1170 VanDerWaalsContact CD2-OD1 3.25Å; Y1141-N1170 WeakPolarHBondContact CD2-OD1 3.27Å; Y1141-N1170 WeakPolarHBondContact CE2-OD1 3.12Å; Y1141-N1170 HydrophobicContact CG-CB 3.72Å; H1155-N1170 WeakPolarHBondContact CA-O 3.39Å; C1156-N1170 PolarHBondContact N-O 3.1Å; C1156-N1170 VanDerWaalsContact N-O 3.07Å; C1168-N1170 PolarHBondContact O-N 3.12Å; C1168-N1170 PolarHBondContact O-ND2 2.83Å; N1170-F1172 HydrophobicContact CB-CE2 3.67Å; N1170-F1172 HydrophobicContact CB-CZ 3.96Å; N1170-F1172 VanDerWaalsContact O-CD2 3.26Å; N1170-F1172 WeakPolarHBondContact O-CD2 3.25Å; N1170-F1172 WeakPolarHBondContact O-CE2 3.42Å
1171	V	88.6	Confident	71.2	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.2	-178.5	-174.2	0	0	0	0	111.8	Y1132 A1137 Y1141 F1147 K1153 H1155	Y1132-V1171 HydrophobicContact CD1-CG2 4.29Å; A1137-V1171 HydrophobicContact CB-CB 3.79Å; A1137-V1171 HydrophobicContact CB-CG1 3.88Å; A1137-V1171 HydrophobicContact CB-CG2 3.87Å; Y1141-V1171 WeakPolarHBondContact CB-O 3.49Å; Y1141-V1171 PolarHBondContact N-O 2.73Å; F1147-V1171 HydrophobicContact CE2-CB 4.49Å; F1147-V1171 HydrophobicContact CE2-CG1 3.79Å; F1147-V1171 HydrophobicContact CZ-CG1 3.8Å; K1153-V1171 HydrophobicContact CB-CG1 3.71Å; K1153-V1171 HydrophobicContact CD-CG1 4.34Å; K1153-V1171 HydrophobicContact CG-CG1 3.95Å; H1155-V1171 WeakPolarHBondContact NE2-CG2 3.11Å
1172	F	89.7	Confident	72.3	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158	-175.3	-62.5	-88.8	0	0	0	112.1	Y1141 H1154 C1156 N1170 C1176 C1177 C1195	Y1141-F1172 AromaticContact CD1-CE1 3.79Å; Y1141-F1172 HydrophobicContact CD1-CE1 3.79Å; Y1141-F1172 AromaticContact CD1-CZ 3.68Å; Y1141-F1172 HydrophobicContact CD1-CZ 3.68Å; Y1141-F1172 HydrophobicContact CG-CE1 4.32Å; Y1141-F1172 HydrophobicContact CG-CZ 4.26Å; H1154-F1172 PolarHBondContact N-O 2.83Å; H1154-F1172 PolarHBondContact O-N 3.09Å; C1156-F1172 HydrophobicContact CB-CD2 4.36Å; C1156-F1172 HydrophobicContact CB-CE2 3.99Å; N1170-F1172 HydrophobicContact CB-CE2 3.67Å; N1170-F1172 HydrophobicContact CB-CZ 3.96Å; N1170-F1172 VanDerWaalsContact O-CD2 3.26Å; N1170-F1172 WeakPolarHBondContact O-CD2 3.25Å; N1170-F1172 WeakPolarHBondContact O-CE2 3.42Å; F1172-C1176 HydrophobicContact CB-CB 4.14Å; F1172-C1176 HydrophobicContact CD1-CB 3.76Å; F1172-C1176 HydrophobicContact CG-CB 4.39Å; F1172-C1177 HydrophobicContact CB-CB 3.76Å; F1172-C1177 HydrophobicContact CD2-CB 4.47Å; F1172-C1177 HydrophobicContact CG-CB 4.23Å; F1172-C1195 HydrophobicContact CD1-CB 4.32Å; F1172-C1195 HydrophobicContact CD2-CB 4.12Å; F1172-C1195 HydrophobicContact CE1-CB 3.85Å; F1172-C1195 HydrophobicContact CE2-CB 3.66Å; F1172-C1195 HydrophobicContact CG-CB 4.43Å; F1172-C1195 HydrophobicContact CZ-CB 3.51Å
1173	C	89.4	Confident	73.3	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.095	30%	0.3	C	S	.	.			trans	-82.5	163.1	163.3	69.6	0	0	0	0	109.9	C1140 F1147 S1175 C1176 C1177	C1140-C1173 HydrophobicContact CB-CB 4.22Å; C1140-C1173 PolarHBondContact SG-N 2.76Å; C1140-C1173 VanDerWaalsContact SG-SG 3.62Å; F1147-C1173 HydrophobicContact CE1-CB 4.11Å; C1173-S1175 PolarHBondContact O-N 3.46Å; C1173-C1176 PolarHBondContact O-N 2.82Å; C1173-C1177 PolarHBondContact O-N 2.69Å; C1173-C1177 PolarHBondContact O-SG 3.26Å
1174	A	85	Confident	73.9	Confident	52 Å²	52	53.6 Å²	53.6	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	-168.9	0	0	0	0	0	115.5	D1178 R1193	A1174-D1178 WeakPolarHBondContact O-CA 3.2Å; A1174-D1178 PolarHBondContact O-N 2.7Å; A1174-R1193 PolarHBondContact O-NH1 2.73Å
1175	S	85.3	Confident	73.9	Confident	76 Å²	76	49.5 Å²	49.5	53%	0.531	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.3	179.1	51.6	0	0	0	0	114.9	C1173 K1196	C1173-S1175 PolarHBondContact O-N 3.46Å; S1175-K1196 PolarHBondContact O-NZ 3.42Å
1176	C	85.8	Confident	74.2	Confident	22 Å²	22	47.8 Å²	47.8	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-15	173.4	-67.8	0	0	0	0	112.8	F1172 C1173	F1172-C1176 HydrophobicContact CB-CB 4.14Å; F1172-C1176 HydrophobicContact CD1-CB 3.76Å; F1172-C1176 HydrophobicContact CG-CB 4.39Å; C1173-C1176 PolarHBondContact O-N 2.82Å
1177	C	87.8	Confident	74.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-126.1	40.7	171.3	61.7	0	0	0	0	110.8	H1154 F1172 C1173 Q1179 R1193 V1194	H1154-C1177 WeakPolarHBondContact CB-SG 3.44Å; F1172-C1177 HydrophobicContact CB-CB 3.76Å; F1172-C1177 HydrophobicContact CD2-CB 4.47Å; F1172-C1177 HydrophobicContact CG-CB 4.23Å; C1173-C1177 PolarHBondContact O-N 2.69Å; C1173-C1177 PolarHBondContact O-SG 3.26Å; C1177-Q1179 VanDerWaalsContact C-N 3.29Å; C1177-Q1179 PolarHBondContact O-N 2.74Å; C1177-R1193 HydrophobicContact CB-CG 4.27Å; C1177-R1193 WeakPolarHBondContact O-CD 3.48Å; C1177-R1193 WeakPolarHBondContact O-CG 3.31Å; C1177-R1193 PolarHBondContact O-NH1 2.72Å; C1177-V1194 CarbonylContact C-O 3.57Å; C1177-V1194 VanDerWaalsContact CA-O 3.29Å; C1177-V1194 WeakPolarHBondContact CA-O 3.42Å
1178	D	83.6	Confident	73.7	Confident	61 Å²	61	51.6 Å²	51.6	33%	0.326	30%	0.296	S	S	.	.			trans	-67.9	-26.5	-179.8	51.4	3.7	0	0	0	113.2	A1174 K1196	A1174-D1178 WeakPolarHBondContact O-CA 3.2Å; A1174-D1178 PolarHBondContact O-N 2.7Å; D1178-K1196 WeakPolarHBondContact OD1-CE 3.36Å; D1178-K1196 IonicContact OD1-NZ 2.77Å; D1178-K1196 PolarHBondContact OD1-NZ 3.24Å; D1178-K1196 WeakPolarHBondContact OD2-CE 3.31Å; D1178-K1196 IonicContact OD2-NZ 2.85Å; D1178-K1196 PolarHBondContact OD2-NZ 2.94Å
1179	Q	83.3	Confident	72.9	Confident	59 Å²	59	59.6 Å²	59.6	28%	0.276	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	151.2	-175.6	-53.5	-49.6	-52.5	0	0	114.1	C1177 R1193 V1194 K1196 Y1199	C1177-Q1179 VanDerWaalsContact C-N 3.29Å; C1177-Q1179 PolarHBondContact O-N 2.74Å; Q1179-R1193 WeakPolarHBondContact O-CA 3.46Å; Q1179-V1194 HydrophobicContact CB-CG2 4.29Å; Q1179-V1194 PolarHBondContact O-N 3.22Å; Q1179-K1196 HydrophobicContact CG-CG 4.2Å; Q1179-Y1199 HydrophobicContact CB-CD1 4.28Å; Q1179-Y1199 HydrophobicContact CB-CD2 3.57Å; Q1179-Y1199 HydrophobicContact CB-CE2 4.09Å; Q1179-Y1199 HydrophobicContact CB-CG 3.67Å; Q1179-Y1199 HydrophobicContact CG-CD1 4.05Å; Q1179-Y1199 HydrophobicContact CG-CD2 4.25Å; Q1179-Y1199 HydrophobicContact CG-CG 3.89Å
1180	K	81.1	Confident	72.2	Confident	124 Å²	124	67 Å²	67	54%	0.539	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.4	172.1	-77.7	-175.7	157.9	-134.9	0	111.3	P1191 C1192 Y1199	K1180-P1191 HydrophobicContact CB-CB 3.85Å; K1180-P1191 HydrophobicContact CD-CB 4.43Å; K1180-P1191 WeakPolarHBondContact CD-O 3.44Å; K1180-P1191 PolarHBondContact NZ-O 3.29Å; K1180-P1191 VanDerWaalsContact NZ-O 3.12Å; K1180-C1192 WeakPolarHBondContact CA-O 3.44Å; K1180-Y1199 WeakPolarHBondContact O-CE2 3.42Å
1181	I	74.4	Confident	71.6	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.108	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143	174.8	-158.5	166.4	0	0	0	109.4	C1192 V1194 Y1199 L1202 Q1203	I1181-C1192 PolarHBondContact N-O 3.12Å; I1181-C1192 PolarHBondContact O-N 3.05Å; I1181-V1194 HydrophobicContact CG2-CG1 4.39Å; I1181-V1194 HydrophobicContact CG2-CG2 3.94Å; I1181-Y1199 HydrophobicContact CB-CD2 3.88Å; I1181-Y1199 HydrophobicContact CB-CE2 3.89Å; I1181-Y1199 HydrophobicContact CD1-CD2 4.16Å; I1181-Y1199 HydrophobicContact CD1-CE2 4.1Å; I1181-Y1199 HydrophobicContact CG1-CD2 4.49Å; I1181-Y1199 HydrophobicContact CG1-CE2 4.27Å; I1181-Y1199 HydrophobicContact CG2-CD2 4.34Å; I1181-L1202 HydrophobicContact CD1-CB 3.88Å; I1181-L1202 HydrophobicContact CG2-CB 4.4Å; I1181-L1202 HydrophobicContact CG2-CD1 3.68Å; I1181-Q1203 HydrophobicContact CD1-CG 3.89Å
1182	P	65.7	Low	70.9	Confident	63 Å²	63	69.4 Å²	69.4	41%	0.409	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	148.1	166.7	28.3	-35	0	0	0	109.8
1183	V	63.7	Low	70.6	Confident	5 Å²	5	73 Å²	73	3%	0.03	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	94.3	-178	-177	0	0	0	0	108	S1185 Q1186 C1192	V1183-S1185 PolarHBondContact O-N 3.14Å; V1183-S1185 VanDerWaalsContact O-N 3.13Å; V1183-Q1186 HydrophobicContact CB-CG 4.4Å; V1183-Q1186 HydrophobicContact CG1-CG 3.93Å; V1183-Q1186 PolarHBondContact O-N 2.65Å; V1183-C1192 HydrophobicContact CG2-CB 4.36Å
1184	P	48.7	Very low	70.4	Confident	113 Å²	113	72.3 Å²	72.3	73%	0.734	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.2	-31.4	-167.2	-27.9	36.1	0	0	0	114.7	Q1186 Q1187	P1184-Q1186 PolarHBondContact O-N 3.3Å; P1184-Q1187 PolarHBondContact O-N 2.85Å
1185	S	48.1	Very low	70.5	Confident	90 Å²	90	70.1 Å²	70.1	63%	0.629	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-65.5	-13.6	177.9	49.4	0	0	0	0	114.6	V1183	V1183-S1185 PolarHBondContact O-N 3.14Å; V1183-S1185 VanDerWaalsContact O-N 3.13Å
1186	Q	49.8	Very low	70.4	Confident	53 Å²	53	71.1 Å²	71.1	25%	0.248	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-100.6	-0.3	179.7	-62.8	-177.4	-56	0	0	113.7	R1159 V1183 P1184 L1188	R1159-Q1186 PolarHBondContact O-NE2 3.27Å; V1183-Q1186 HydrophobicContact CB-CG 4.4Å; V1183-Q1186 HydrophobicContact CG1-CG 3.93Å; V1183-Q1186 PolarHBondContact O-N 2.65Å; P1184-Q1186 PolarHBondContact O-N 3.3Å; Q1186-L1188 HydrophobicContact CB-CB 4.3Å; Q1186-L1188 HydrophobicContact CB-CD1 4.09Å; Q1186-L1188 HydrophobicContact CB-CG 4.01Å; Q1186-L1188 PolarHBondContact O-N 2.95Å
1187	Q	50.4	Low	70.1	Confident	169 Å²	169	76.2 Å²	76.2	79%	0.79	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	9.9	-168	-57.5	-173.8	0.5	0	0	114.8	P1184 F1189	P1184-Q1187 PolarHBondContact O-N 2.85Å; Q1187-F1189 WeakPolarHBondContact O-CD2 3.12Å; Q1187-F1189 PolarHBondContact O-N 3.22Å
1188	L	53.7	Low	69.7	Low	87 Å²	87	76.8 Å²	76.8	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	100.9	175.2	-65.8	177	0	0	0	109.8	Q1186 E1190	Q1186-L1188 HydrophobicContact CB-CB 4.3Å; Q1186-L1188 HydrophobicContact CB-CD1 4.09Å; Q1186-L1188 HydrophobicContact CB-CG 4.01Å; Q1186-L1188 PolarHBondContact O-N 2.95Å; L1188-E1190 PolarHBondContact O-N 3.2Å
1189	F	55.8	Low	69.5	Low	197 Å²	197	76.5 Å²	76.5	86%	0.864	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	-13.1	171.5	-67.2	-86.3	0	0	0	113.1	Q1187	Q1187-F1189 WeakPolarHBondContact O-CD2 3.12Å; Q1187-F1189 PolarHBondContact O-N 3.22Å
1190	E	61.9	Low	69.1	Low	160 Å²	160	76.8 Å²	76.8	75%	0.748	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	132.8	175.4	-66.2	-157.2	160.2	0	0	112.7	L1188 C1192	L1188-E1190 PolarHBondContact O-N 3.2Å; E1190-C1192 PolarHBondContact O-N 3.05Å; E1190-C1192 VanDerWaalsContact O-N 3.15Å
1191	P	71.6	Confident	68.5	Low	59 Å²	59	74.4 Å²	74.4	38%	0.383	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	112.1	-179.7	-25.7	36.2	0	0	0	114.9	K1180	K1180-P1191 HydrophobicContact CB-CB 3.85Å; K1180-P1191 HydrophobicContact CD-CB 4.43Å; K1180-P1191 WeakPolarHBondContact CD-O 3.44Å; K1180-P1191 PolarHBondContact NZ-O 3.29Å; K1180-P1191 VanDerWaalsContact NZ-O 3.12Å
1192	C	75.4	Confident	68.2	Low	25 Å²	25	74.9 Å²	74.9	17%	0.169	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	153.2	177.3	-61	0	0	0	0	112.3	K1180 I1181 V1183 E1190	K1180-C1192 WeakPolarHBondContact CA-O 3.44Å; I1181-C1192 PolarHBondContact N-O 3.12Å; I1181-C1192 PolarHBondContact O-N 3.05Å; V1183-C1192 HydrophobicContact CG2-CB 4.36Å; E1190-C1192 PolarHBondContact O-N 3.05Å; E1190-C1192 VanDerWaalsContact O-N 3.15Å
1193	R	82.7	Confident	68.1	Low	82 Å²	82	76.5 Å²	76.5	31%	0.309	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.6	-176.7	-173.4	-179.2	-78.9	-95	6	111.4	S1157 A1174 C1177 Q1179	S1157-R1193 WeakPolarHBondContact CB-O 3.44Å; S1157-R1193 PolarHBondContact N-O 2.96Å; S1157-R1193 VanDerWaalsContact N-O 3.07Å; S1157-R1193 PolarHBondContact OG-N 2.68Å; S1157-R1193 PolarHBondContact OG-O 2.85Å; A1174-R1193 PolarHBondContact O-NH1 2.73Å; C1177-R1193 HydrophobicContact CB-CG 4.27Å; C1177-R1193 WeakPolarHBondContact O-CD 3.48Å; C1177-R1193 WeakPolarHBondContact O-CG 3.31Å; C1177-R1193 PolarHBondContact O-NH1 2.72Å; Q1179-R1193 WeakPolarHBondContact O-CA 3.46Å
1194	V	84.4	Confident	67.6	Low	0 Å²	0	83.1 Å²	83.1	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.9	-176.1	-70.8	0	0	0	0	111.9	C1177 Q1179 I1181 C1198 Y1199	C1177-V1194 CarbonylContact C-O 3.57Å; C1177-V1194 VanDerWaalsContact CA-O 3.29Å; C1177-V1194 WeakPolarHBondContact CA-O 3.42Å; Q1179-V1194 HydrophobicContact CB-CG2 4.29Å; Q1179-V1194 PolarHBondContact O-N 3.22Å; I1181-V1194 HydrophobicContact CG2-CG1 4.39Å; I1181-V1194 HydrophobicContact CG2-CG2 3.94Å; V1194-C1198 HydrophobicContact CB-CB 4.25Å; V1194-Y1199 HydrophobicContact CG2-CD2 4Å; V1194-Y1199 HydrophobicContact CG2-CG 4.45Å
1195	C	88	Confident	67.7	Low	7 Å²	7	84.2 Å²	84.2	5%	0.047	43%	0.434	C	S	.	.			trans	-74.6	160.9	170.1	77.6	0	0	0	0	111.3	C1156 F1172 N1197 C1198 Y1199	C1156-C1195 PolarHBondContact SG-N 2.69Å; C1156-C1195 VanDerWaalsContact SG-N 3.35Å; F1172-C1195 HydrophobicContact CD1-CB 4.32Å; F1172-C1195 HydrophobicContact CD2-CB 4.12Å; F1172-C1195 HydrophobicContact CE1-CB 3.85Å; F1172-C1195 HydrophobicContact CE2-CB 3.66Å; F1172-C1195 HydrophobicContact CG-CB 4.43Å; F1172-C1195 HydrophobicContact CZ-CB 3.51Å; C1195-N1197 VanDerWaalsContact C-N 3.26Å; C1195-N1197 PolarHBondContact O-N 2.66Å; C1195-C1198 PolarHBondContact O-N 3.13Å; C1195-C1198 VanDerWaalsContact SG-SG 3.69Å; C1195-Y1199 PolarHBondContact O-N 3.48Å
1196	K	81.8	Confident	67.7	Low	97 Å²	97	83.9 Å²	83.9	42%	0.422	43%	0.432	S	S	.	.	H	α-helix	trans	-57.5	-35.7	-176.2	-67.2	-177.9	177.8	176.2	0	113.3	S1175 D1178 Q1179 S1200	S1175-K1196 PolarHBondContact O-NZ 3.42Å; D1178-K1196 WeakPolarHBondContact OD1-CE 3.36Å; D1178-K1196 IonicContact OD1-NZ 2.77Å; D1178-K1196 PolarHBondContact OD1-NZ 3.24Å; D1178-K1196 WeakPolarHBondContact OD2-CE 3.31Å; D1178-K1196 IonicContact OD2-NZ 2.85Å; D1178-K1196 PolarHBondContact OD2-NZ 2.94Å; Q1179-K1196 HydrophobicContact CG-CG 4.2Å; K1196-S1200 PolarHBondContact O-N 3.33Å; K1196-S1200 VanDerWaalsContact O-N 3.09Å; K1196-S1200 PolarHBondContact O-OG 2.65Å
1197	N	80.3	Confident	67.1	Low	128 Å²	128	85.6 Å²	85.6	68%	0.684	46%	0.455	S	S	*	.	H	α-helix	trans	-68.3	-49.5	178	-63.6	12.7	0	0	0	111.7	C1195 Y1199 S1200 S1201	C1195-N1197 VanDerWaalsContact C-N 3.26Å; C1195-N1197 PolarHBondContact O-N 2.66Å; N1197-Y1199 VanDerWaalsContact C-N 3.29Å; N1197-Y1199 PolarHBondContact O-N 3.04Å; N1197-S1200 PolarHBondContact O-N 2.9Å; N1197-S1201 PolarHBondContact O-N 3.45Å; N1197-S1201 PolarHBondContact O-OG 2.79Å
1198	C	79.5	Confident	66.6	Low	13 Å²	13	82.9 Å²	82.9	9%	0.088	45%	0.452	C	S	.	.	H	α-helix	trans	-62.2	-37.2	176.3	-69.4	0	0	0	0	112	C1168 V1194 C1195 S1201 L1202	C1168-C1198 PolarHBondContact N-SG 2.82Å; C1168-C1198 VanDerWaalsContact N-SG 3.44Å; V1194-C1198 HydrophobicContact CB-CB 4.25Å; C1195-C1198 PolarHBondContact O-N 3.13Å; C1195-C1198 VanDerWaalsContact SG-SG 3.69Å; C1198-S1201 PolarHBondContact O-N 3.4Å; C1198-L1202 WeakPolarHBondContact O-CB 3.46Å; C1198-L1202 VanDerWaalsContact O-CG 3.24Å; C1198-L1202 WeakPolarHBondContact O-CG 3.43Å; C1198-L1202 PolarHBondContact O-N 2.78Å
1199	Y	80.3	Confident	65.6	Low	55 Å²	55	86.8 Å²	86.8	22%	0.216	47%	0.472	C	S	.	.	H	α-helix	trans	-58.2	-50.1	173.7	-173.8	-102.6	0	0	0	112	Q1179 K1180 I1181 V1194 C1195 N1197 L1202 Q1203	Q1179-Y1199 HydrophobicContact CB-CD1 4.28Å; Q1179-Y1199 HydrophobicContact CB-CD2 3.57Å; Q1179-Y1199 HydrophobicContact CB-CE2 4.09Å; Q1179-Y1199 HydrophobicContact CB-CG 3.67Å; Q1179-Y1199 HydrophobicContact CG-CD1 4.05Å; Q1179-Y1199 HydrophobicContact CG-CD2 4.25Å; Q1179-Y1199 HydrophobicContact CG-CG 3.89Å; K1180-Y1199 WeakPolarHBondContact O-CE2 3.42Å; I1181-Y1199 HydrophobicContact CB-CD2 3.88Å; I1181-Y1199 HydrophobicContact CB-CE2 3.89Å; I1181-Y1199 HydrophobicContact CD1-CD2 4.16Å; I1181-Y1199 HydrophobicContact CD1-CE2 4.1Å; I1181-Y1199 HydrophobicContact CG1-CD2 4.49Å; I1181-Y1199 HydrophobicContact CG1-CE2 4.27Å; I1181-Y1199 HydrophobicContact CG2-CD2 4.34Å; V1194-Y1199 HydrophobicContact CG2-CD2 4Å; V1194-Y1199 HydrophobicContact CG2-CG 4.45Å; C1195-Y1199 PolarHBondContact O-N 3.48Å; N1197-Y1199 VanDerWaalsContact C-N 3.29Å; N1197-Y1199 PolarHBondContact O-N 3.04Å; Y1199-L1202 PolarHBondContact O-N 3.21Å; Y1199-Q1203 HydrophobicContact CD1-CG 4.49Å; Y1199-Q1203 VanDerWaalsContact CE1-CD 3.42Å; Y1199-Q1203 HydrophobicContact CE1-CG 4.2Å; Y1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; Y1199-Q1203 PolarHBondContact O-N 2.87Å; Y1199-Q1203 PolarHBondContact OH-NE2 2.86Å
1200	S	73.8	Confident	64.4	Low	65 Å²	65	84.9 Å²	84.9	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-41.2	177.7	-62.3	0	0	0	0	113.1	K1196 N1197 Q1203 L1204	K1196-S1200 PolarHBondContact O-N 3.33Å; K1196-S1200 VanDerWaalsContact O-N 3.09Å; K1196-S1200 PolarHBondContact O-OG 2.65Å; N1197-S1200 PolarHBondContact O-N 2.9Å; S1200-Q1203 PolarHBondContact O-N 2.86Å; S1200-L1204 PolarHBondContact O-N 3.26Å
1201	S	69.1	Low	63.1	Low	73 Å²	73	84.9 Å²	84.9	51%	0.51	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-40	176.4	-60.4	0	0	0	0	112.5	N1197 C1198 L1204	N1197-S1201 PolarHBondContact O-N 3.45Å; N1197-S1201 PolarHBondContact O-OG 2.79Å; C1198-S1201 PolarHBondContact O-N 3.4Å; S1201-L1204 PolarHBondContact O-N 3.3Å
1202	L	68.4	Low	61.1	Low	31 Å²	31	91.4 Å²	91.4	16%	0.162	50%	0.501	C	S	.	.	H	α-helix	trans	-71.3	-33.2	178.9	-70.2	168.6	0	0	0	112.3	V1165 I1181 C1198 Y1199 L1204	V1165-L1202 HydrophobicContact CG1-CD2 4.32Å; I1181-L1202 HydrophobicContact CD1-CB 3.88Å; I1181-L1202 HydrophobicContact CG2-CB 4.4Å; I1181-L1202 HydrophobicContact CG2-CD1 3.68Å; C1198-L1202 WeakPolarHBondContact O-CB 3.46Å; C1198-L1202 VanDerWaalsContact O-CG 3.24Å; C1198-L1202 WeakPolarHBondContact O-CG 3.43Å; C1198-L1202 PolarHBondContact O-N 2.78Å; Y1199-L1202 PolarHBondContact O-N 3.21Å; L1202-L1204 VanDerWaalsContact C-N 3.32Å; L1202-L1204 PolarHBondContact O-N 3.34Å
1203	Q	62.6	Low	59.1	Low	97 Å²	97	98.1 Å²	98.1	45%	0.453	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-30.1	172.5	-77	-169.9	-45	0	0	113.7	I1181 Y1199 S1200 N1205 S1206	I1181-Q1203 HydrophobicContact CD1-CG 3.89Å; Y1199-Q1203 HydrophobicContact CD1-CG 4.49Å; Y1199-Q1203 VanDerWaalsContact CE1-CD 3.42Å; Y1199-Q1203 HydrophobicContact CE1-CG 4.2Å; Y1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; Y1199-Q1203 PolarHBondContact O-N 2.87Å; Y1199-Q1203 PolarHBondContact OH-NE2 2.86Å; S1200-Q1203 PolarHBondContact O-N 2.86Å; Q1203-N1205 VanDerWaalsContact C-N 3.34Å; Q1203-S1206 PolarHBondContact O-OG 3.07Å; Q1203-S1206 VanDerWaalsContact O-OG 3.05Å
1204	L	54.2	Low	56.6	Low	145 Å²	145	103.3 Å²	103.3	76%	0.759	56%	0.562	S	S	*	*	H	α-helix	trans	-72.6	-25.4	-178.8	-79.1	164.2	0	0	0	113.4	S1200 S1201 L1202	S1200-L1204 PolarHBondContact O-N 3.26Å; S1201-L1204 PolarHBondContact O-N 3.3Å; L1202-L1204 VanDerWaalsContact C-N 3.32Å; L1202-L1204 PolarHBondContact O-N 3.34Å
1205	N	50.2	Low	54.1	Low	135 Å²	135	112.8 Å²	112.8	72%	0.722	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-7.1	179.7	-73.6	-6.3	0	0	0	113.6	Q1203 A1207	Q1203-N1205 VanDerWaalsContact C-N 3.34Å; N1205-A1207 PolarHBondContact O-N 2.94Å
1206	S	48.8	Very low	51.8	Low	83 Å²	83	118.1 Å²	118.1	58%	0.58	64%	0.638	S	S	*	*			trans	-97.5	79.2	179	58.8	0	0	0	0	112.4	Q1203	Q1203-S1206 PolarHBondContact O-OG 3.07Å; Q1203-S1206 VanDerWaalsContact O-OG 3.05Å
1207	A	36.5	Very low	49.3	Very low	89 Å²	89	121.8 Å²	121.8	74%	0.736	66%	0.66	S	S	*	*			trans	-73.1	143.1	161.6	0	0	0	0	0	110	N1205	N1205-A1207 PolarHBondContact O-N 2.94Å
1208	P	39.3	Very low	47	Very low	112 Å²	112	120.2 Å²	120.2	73%	0.727	67%	0.665	S	S	*	*			trans	-77.8	136.8	-168.8	30.1	-35.2	0	0	0	113.4
1209	L	33.8	Very low	44.7	Very low	169 Å²	169	124 Å²	124	89%	0.885	70%	0.697	S	S	*	*			trans	-114.9	106.1	154	-81.2	170.9	0	0	0	107.2	L1211	L1209-L1211 PolarHBondContact O-N 3.38Å
1210	D	30.6	Very low	42.2	Very low	157 Å²	157	126.7 Å²	126.7	84%	0.84	72%	0.724	S	S	*	*			trans	-69.6	125.8	172.3	-73.5	-51.1	0	0	0	110
1211	L	33.3	Very low	40.2	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	74%	0.738	S	S	*	*			trans	-141.8	106.4	169.2	-113.1	162.1	0	0	0	107.2	L1209 L1213	L1209-L1211 PolarHBondContact O-N 3.38Å; L1211-L1213 PolarHBondContact O-N 3.39Å
1212	E	30.8	Very low	38.4	Very low	196 Å²	196	136.3 Å²	136.3	92%	0.916	77%	0.773	S	S	*	*			trans	-66.1	127.6	-172.4	-63.6	-177.8	119.1	0	0	111.2
1213	L	31.9	Very low	36.9	Very low	167 Å²	167	141.6 Å²	141.6	87%	0.874	80%	0.804	S	S	*	*			trans	-103.8	96.8	-179.8	-157.5	83.1	0	0	0	110.2	L1211	L1211-L1213 PolarHBondContact O-N 3.39Å
1214	E	31.1	Very low	35.5	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-61.3	148.8	168.2	-76	-155.7	125.7	0	0	111.2
1215	K	32.5	Very low	34.5	Very low	198 Å²	198	143.8 Å²	143.8	86%	0.861	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-93.1	162.4	-167.7	-95.4	-175.4	177.5	176.6	0	113.4
1216	P	39	Very low	33.6	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-88.8	163.1	-144.5	34.6	-39.1	0	0	0	114.9
1217	I	28.8	Very low	32.6	Very low	174 Å²	174	148.2 Å²	148.2	89%	0.892	85%	0.847	S	S	*	*			trans	-106.3	133.5	157.3	-61.4	178.8	0	0	0	107.9
1218	A	33.4	Very low	32.4	Very low	96 Å²	96	152.1 Å²	152.1	79%	0.793	86%	0.855	S	S	*	*			trans	-106	143.3	-176.9	0	0	0	0	0	112.4
1219	A	29.9	Very low	31.9	Very low	92 Å²	92	155 Å²	155	76%	0.76	86%	0.864	S	S	*	*			trans	-145.1	103.1	158.8	0	0	0	0	0	106.5
1220	S	29.2	Very low	31.7	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	86%	0.862	S	S	*	*				74.4	64.5	70.5	79.9	0	0	0	0	114.3
1221	S	31.8	Very low	31.8	Very low	106 Å²	106	153.7 Å²	153.7	74%	0.741	86%	0.864	S	S	*	*			trans	44.5	100.8	141.1	-174.1	0	0	0	0	118.4
1222	N	30.2	Very low	31.7	Very low	234 Å²	234	153.1 Å²	153.1	100%	1.251	87%	0.866	S	S	*	*				-141.4	0	103.2	-92.8	-12	0	0	0	109.2

Retrieved 1,222 of 1,222 residues in 1323.8 ms (Link to these results)

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