A0A087Y6H9_POEFO Loading...

Mismatch repair endonuclease PMS2

AlphaFold DB , UniProt , Accession A0A087Y6H9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 826 aa.

						>A0A087Y6H9_POEFO|A0A087Y6H9
MTDVCTSEPAGAIRAIDKHSVHRICSGQVVLSLATAVKELVENSIDAGATNVEVKLKECGAEQIEVSDNGRGVEEANFEGLALKHHTSKLRDFSDLIHVETFGFRGEALSSLCALSDLSVITCHESSQIGTKLLFDHKGHLVQQSPCPRQQGTTVTLQQLFYTLPVRHKEFQRNIKKEFAKMIHVLQAYCIVSTGVRITCSNQTGQGKRSAVLSTGGSQSMRDNIGAIFGPKQMQSLLPFRQVSPSENIMEEYGLKDGDLPKQLFTLSGFVSTGDHGVGRSASDRQFFFINSRPCDPVKVSKLVNEVYHMYNRHQYPFVALNIAVASDCVDVNVTPDKRQIFLQEEKLLLAILKSSLINMYEAGVNKMSLNYTPTVSSASKEVHLPVEDKAEPAETNQPGTPSPKSTMNLAALKAAFSNQNSALSGSKSSTEKASKSGPSQKTLQCFFKGSVKSPVQPRREAAKGSLGVWAELHRFRNERASVRENDSERGLAVESQDPQHPVSFKPVVENVTHDSSVSQNLHEDPELQAEACSPVEDSVIIPEAKRARRDDPRFTAERTPDTASSTTDVPVCLQRRTMPLHFCLQALAAGMKRLQQQQRRRAADRLCYRRFRANISPGENQRAEDELRREISKDMFKEMEIIGQFNLGFIITKLNSDIFMIDQHATDEKYNFEMLQQHTVLQGQRLIVPQKLHLTAVSENVLLENVEIFQKNGFEFLIDEDAQVMERVKLVSLPTSRNWTFGPADIEELIFMLSDSPGVMCRPSRVRQMFASRACRKSVMIGTALSVSEMKKLVIHMGEIEHPWNCPHGRPTMRHLANLEIISQD
					

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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	39.4	Very low	47.3	Very low	236 Å²	236	132.5 Å²	132.5	100%	1.163	82%	0.818	S	S	*	*				0	139.5	0	-75.8	147.6	167.9	0	0	106.8
2	T	36.4	Very low	49.4	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	80%	0.802	S	S	*	*			trans	-111.9	103.7	-176.7	43.9	0	0	0	0	108.1	V4	T2-V4 PolarHBondContact O-N 2.78Å
3	D	37.8	Very low	51.3	Low	163 Å²	163	131.5 Å²	131.5	87%	0.872	81%	0.81	S	S	*	*			trans	-72.2	112.4	173.9	-69.3	-51.4	0	0	0	109.2	C5	D3-C5 PolarHBondContact O-N 2.64Å
4	V	42.9	Very low	53.3	Low	114 Å²	114	137.6 Å²	137.6	69%	0.691	81%	0.811	S	S	*	*			trans	-81.1	110.3	174.6	177.9	0	0	0	0	107.3	T2 T6	T2-V4 PolarHBondContact O-N 2.78Å; V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 HydrophobicContact CG1-CG2 4.11Å; V4-T6 PolarHBondContact O-N 3.31Å
5	C	40.2	Very low	54.9	Low	127 Å²	127	135.4 Å²	135.4	86%	0.858	81%	0.814	S	S	*	*			trans	-70.7	91.4	171.8	-168.8	0	0	0	0	109	D3 S7	D3-C5 PolarHBondContact O-N 2.64Å; C5-S7 PolarHBondContact O-N 3.09Å; C5-S7 VanDerWaalsContact O-N 3.11Å
6	T	41.7	Very low	56.8	Low	110 Å²	110	133.4 Å²	133.4	68%	0.675	80%	0.796	S	S	*	*			trans	-73.1	99.5	175.7	49.6	0	0	0	0	109.7	V4 E8	V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 HydrophobicContact CG1-CG2 4.11Å; V4-T6 PolarHBondContact O-N 3.31Å; T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 3.31Å
7	S	48.4	Very low	58.4	Low	112 Å²	112	130.5 Å²	130.5	78%	0.783	78%	0.776	S	S	*	*			trans	-67.8	91.5	166.4	56.9	0	0	0	0	109.4	C5	C5-S7 PolarHBondContact O-N 3.09Å; C5-S7 VanDerWaalsContact O-N 3.11Å
8	E	49.7	Very low	59.6	Low	174 Å²	174	134 Å²	134	81%	0.813	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-59.9	131.7	168.9	-69	-161.6	142.1	0	0	109.2	T6	T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 3.31Å
9	P	59	Low	60.5	Low	119 Å²	119	132.1 Å²	132.1	77%	0.773	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64.9	144.5	175.7	28.3	-34.2	0	0	0	109.7	G11	P9-G11 PolarHBondContact O-N 3.3Å
10	A	57.3	Low	61.4	Low	103 Å²	103	127.2 Å²	127.2	85%	0.851	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-51.7	118.9	179.9	0	0	0	0	0	110.8	A12	A10-A12 PolarHBondContact O-N 3.35Å
11	G	67.6	Low	62.3	Low	71 Å²	71	124 Å²	124	73%	0.732	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-56.4	127.5	-169.5	0	0	0	0	0	112.4	P9 I13	P9-G11 PolarHBondContact O-N 3.3Å; G11-I13 PolarHBondContact O-N 3.5Å
12	A	72.8	Confident	64.1	Low	75 Å²	75	114.3 Å²	114.3	62%	0.62	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.9	129.4	-177.1	0	0	0	0	0	111.6	A10 R14	A10-A12 PolarHBondContact O-N 3.35Å; A12-R14 PolarHBondContact O-N 3Å
13	I	73.3	Confident	65.9	Low	177 Å²	177	111.6 Å²	111.6	91%	0.908	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.9	125.4	-179.7	-57.7	174.3	0	0	0	109	G11	G11-I13 PolarHBondContact O-N 3.5Å
14	R	79.6	Confident	67.7	Low	217 Å²	217	108 Å²	108	82%	0.819	63%	0.625	S	S	*	*			trans	-127.7	148.8	-179.9	-70.6	174.7	-172.1	-164.8	1.7	110.2	A12 I16	A12-R14 PolarHBondContact O-N 3Å; R14-I16 PolarHBondContact O-N 2.84Å
15	A	78	Confident	69.3	Low	104 Å²	104	104.9 Å²	104.9	86%	0.86	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-63.4	134.6	172.9	0	0	0	0	0	110.7
16	I	84.9	Confident	71.1	Confident	103 Å²	103	98.8 Å²	98.8	53%	0.528	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-71	144.4	171	-58.5	173.4	0	0	0	108.3	R14 V21	R14-I16 PolarHBondContact O-N 2.84Å; I16-V21 HydrophobicContact CB-CG2 3.71Å; I16-V21 HydrophobicContact CG2-CG2 3.78Å
17	D	84.6	Confident	72.6	Confident	84 Å²	84	94 Å²	94	45%	0.449	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-62.2	148	179	80.3	83.3	0	0	0	112.1	H19 S20 V21	D17-H19 PolarHBondContact O-N 3.21Å; D17-H19 VanDerWaalsContact O-N 3.1Å; D17-H19 WeakPolarHBondContact OD1-CA 3.48Å; D17-H19 WeakPolarHBondContact OD1-CB 3.13Å; D17-H19 PolarHBondContact OD1-N 3.35Å; D17-S20 PolarHBondContact O-N 3.25Å; D17-S20 PolarHBondContact OD1-N 3.49Å; D17-S20 WeakPolarHBondContact OD2-CB 3.49Å; D17-S20 PolarHBondContact OD2-OG 3.16Å; D17-V21 WeakPolarHBondContact O-CG2 3.47Å; D17-V21 PolarHBondContact O-N 3.21Å
18	K	79.3	Confident	74.1	Confident	194 Å²	194	94 Å²	94	84%	0.843	53%	0.527	S	S	*	.	H	α-helix	trans	-59.1	-27.4	-173.6	-67.7	-173.4	177.6	-176.3	0	113.7	H22	K18-H22 VanDerWaalsContact O-CB 3.27Å; K18-H22 WeakPolarHBondContact O-CB 3.49Å; K18-H22 PolarHBondContact O-N 3.44Å
19	H	77.2	Confident	75.5	Confident	97 Å²	97	86.8 Å²	86.8	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-80.5	-39.8	-180	162.6	-105.9	0	0	0	111.7	D17 H22 R23	D17-H19 PolarHBondContact O-N 3.21Å; D17-H19 VanDerWaalsContact O-N 3.1Å; D17-H19 WeakPolarHBondContact OD1-CA 3.48Å; D17-H19 WeakPolarHBondContact OD1-CB 3.13Å; D17-H19 PolarHBondContact OD1-N 3.35Å; H19-H22 PolarHBondContact O-N 2.95Å; H19-R23 VanDerWaalsContact NE2-CD 3.3Å; H19-R23 WeakPolarHBondContact NE2-CD 3.11Å; H19-R23 PolarHBondContact O-N 3.15Å
20	S	77.2	Confident	76.7	Confident	34 Å²	34	81.1 Å²	81.1	24%	0.238	46%	0.458	C	S	.	.	H	α-helix	trans	-65.6	-43.8	170.3	-63.2	0	0	0	0	111.6	D17 H22 R23 I24	D17-S20 PolarHBondContact O-N 3.25Å; D17-S20 PolarHBondContact OD1-N 3.49Å; D17-S20 WeakPolarHBondContact OD2-CB 3.49Å; D17-S20 PolarHBondContact OD2-OG 3.16Å; S20-H22 VanDerWaalsContact C-N 3.33Å; S20-H22 PolarHBondContact O-N 3.31Å; S20-R23 PolarHBondContact O-N 2.72Å; S20-I24 WeakPolarHBondContact O-CB 3.49Å; S20-I24 WeakPolarHBondContact O-CD1 3.49Å; S20-I24 WeakPolarHBondContact O-CG1 3.25Å; S20-I24 PolarHBondContact O-N 2.97Å
21	V	80.4	Confident	77.9	Confident	62 Å²	62	81 Å²	81	38%	0.376	44%	0.442	S	S	.	.	H	α-helix	trans	-55.8	-48.6	171.3	174	0	0	0	0	110.5	I16 D17 R23 I24 C25	I16-V21 HydrophobicContact CB-CG2 3.71Å; I16-V21 HydrophobicContact CG2-CG2 3.78Å; D17-V21 WeakPolarHBondContact O-CG2 3.47Å; D17-V21 PolarHBondContact O-N 3.21Å; V21-R23 PolarHBondContact O-N 3.29Å; V21-I24 PolarHBondContact O-N 3.41Å; V21-C25 PolarHBondContact O-N 2.73Å; V21-C25 PolarHBondContact O-SG 2.59Å; V21-C25 VanDerWaalsContact O-SG 3.39Å
22	H	77.5	Confident	79	Confident	31 Å²	31	78.5 Å²	78.5	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-55.2	-51.1	178.3	-171.8	120.4	0	0	0	111.2	K18 H19 S20 S26 K84	K18-H22 VanDerWaalsContact O-CB 3.27Å; K18-H22 WeakPolarHBondContact O-CB 3.49Å; K18-H22 PolarHBondContact O-N 3.44Å; H19-H22 PolarHBondContact O-N 2.95Å; S20-H22 VanDerWaalsContact C-N 3.33Å; S20-H22 PolarHBondContact O-N 3.31Å; H22-S26 PolarHBondContact CD2-OG 3.05Å; H22-S26 VanDerWaalsContact CD2-OG 3.23Å; H22-S26 PolarHBondContact NE2-OG 3.28Å; H22-S26 VanDerWaalsContact O-CB 3.3Å; H22-S26 WeakPolarHBondContact O-CB 3.44Å; H22-S26 PolarHBondContact O-N 3.42Å; H22-S26 PolarHBondContact O-OG 3.05Å; H22-K84 PolarHBondContact CD2-NZ 3.29Å; H22-K84 VanDerWaalsContact CE1-CE 3.45Å; H22-K84 WeakPolarHBondContact CE1-CE 3.44Å; H22-K84 PolarHBondContact CE1-NZ 2.81Å; H22-K84 WeakPolarHBondContact NE2-CE 3.34Å; H22-K84 PolarHBondContact NE2-NZ 2.79Å; H22-K84 PolarHBondContact O-NZ 2.93Å; H22-K84 VanDerWaalsContact O-NZ 3.15Å
23	R	73.6	Confident	80.1	Confident	72 Å²	72	74.9 Å²	74.9	27%	0.272	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-35.4	-178.6	-76.8	168.6	63.6	-135.7	9.6	113.3	H19 S20 V21 G27 T163	H19-R23 VanDerWaalsContact NE2-CD 3.3Å; H19-R23 WeakPolarHBondContact NE2-CD 3.11Å; H19-R23 PolarHBondContact O-N 3.15Å; S20-R23 PolarHBondContact O-N 2.72Å; V21-R23 PolarHBondContact O-N 3.29Å; R23-G27 PolarHBondContact O-N 3.42Å; R23-T163 PolarHBondContact NH2-O 3.44Å
24	I	76.5	Confident	81	Confident	87 Å²	87	66.8 Å²	66.8	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-53.3	175.6	-69.7	163.2	0	0	0	110.1	S20 V21 G27 Q28	S20-I24 WeakPolarHBondContact O-CB 3.49Å; S20-I24 WeakPolarHBondContact O-CD1 3.49Å; S20-I24 WeakPolarHBondContact O-CG1 3.25Å; S20-I24 PolarHBondContact O-N 2.97Å; V21-I24 PolarHBondContact O-N 3.41Å; I24-G27 PolarHBondContact O-N 3.07Å; I24-Q28 PolarHBondContact O-N 2.9Å; I24-Q28 VanDerWaalsContact O-N 3.16Å
25	C	76.2	Confident	81.6	Confident	49 Å²	49	57.1 Å²	57.1	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-44.9	-179.9	-62.1	0	0	0	0	112	V21 G27 Q28 V29	V21-C25 PolarHBondContact O-N 2.73Å; V21-C25 PolarHBondContact O-SG 2.59Å; V21-C25 VanDerWaalsContact O-SG 3.39Å; C25-G27 PolarHBondContact O-N 3.1Å; C25-Q28 WeakPolarHBondContact O-CB 3.47Å; C25-Q28 PolarHBondContact O-N 2.92Å; C25-V29 PolarHBondContact O-N 3.18Å
26	S	79.4	Confident	82.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-37.7	175	-63.7	0	0	0	0	111.9	H22 Q28 V29 V30 K84	H22-S26 PolarHBondContact CD2-OG 3.05Å; H22-S26 VanDerWaalsContact CD2-OG 3.23Å; H22-S26 PolarHBondContact NE2-OG 3.28Å; H22-S26 VanDerWaalsContact O-CB 3.3Å; H22-S26 WeakPolarHBondContact O-CB 3.44Å; H22-S26 PolarHBondContact O-N 3.42Å; H22-S26 PolarHBondContact O-OG 3.05Å; S26-Q28 VanDerWaalsContact C-N 3.28Å; S26-Q28 PolarHBondContact O-N 3.39Å; S26-V29 PolarHBondContact O-N 3.43Å; S26-V30 PolarHBondContact O-N 3.37Å; S26-V30 VanDerWaalsContact O-N 3.12Å; S26-K84 WeakPolarHBondContact OG-CE 3.42Å; S26-K84 PolarHBondContact OG-NZ 3.5Å
27	G	72.9	Confident	82.8	Confident	9 Å²	9	47.4 Å²	47.4	9%	0.093	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-21	174.6	0	0	0	0	0	115.1	R23 I24 C25 R167	R23-G27 PolarHBondContact O-N 3.42Å; I24-G27 PolarHBondContact O-N 3.07Å; C25-G27 PolarHBondContact O-N 3.1Å; G27-R167 PolarHBondContact O-NH1 2.84Å
28	Q	78.5	Confident	83.2	Confident	113 Å²	113	43.9 Å²	43.9	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-87.1	-31.9	173.5	-68.6	170.2	-23.6	0	0	112.6	I24 C25 S26 L31	I24-Q28 PolarHBondContact O-N 2.9Å; I24-Q28 VanDerWaalsContact O-N 3.16Å; C25-Q28 WeakPolarHBondContact O-CB 3.47Å; C25-Q28 PolarHBondContact O-N 2.92Å; S26-Q28 VanDerWaalsContact C-N 3.28Å; S26-Q28 PolarHBondContact O-N 3.39Å; Q28-L31 WeakPolarHBondContact O-CG 3.39Å
29	V	79	Confident	83.8	Confident	21 Å²	21	35.2 Å²	35.2	13%	0.127	19%	0.186	C	C	.	.	H	α-helix	trans	-70.2	-54	176.2	174.7	0	0	0	0	110.6	C25 S26 L31 E107	C25-V29 PolarHBondContact O-N 3.18Å; S26-V29 PolarHBondContact O-N 3.43Å; V29-L31 PolarHBondContact O-N 3.29Å; V29-E107 HydrophobicContact CG1-CB 4.47Å; V29-E107 HydrophobicContact CG2-CB 4.43Å
30	V	84.1	Confident	84.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.			trans	-97.5	93.4	179.1	-177.2	0	0	0	0	109	S26 A36 L112 L115 F161 R167	S26-V30 PolarHBondContact O-N 3.37Å; S26-V30 VanDerWaalsContact O-N 3.12Å; V30-A36 HydrophobicContact CG1-CB 3.94Å; V30-L112 HydrophobicContact CB-CD2 4.41Å; V30-L112 HydrophobicContact CG1-CD2 3.87Å; V30-L112 HydrophobicContact CG2-CD2 3.83Å; V30-L112 HydrophobicContact CG2-CG 4.12Å; V30-L115 HydrophobicContact CB-CD1 3.96Å; V30-F161 HydrophobicContact CG1-CE1 4.23Å; V30-F161 HydrophobicContact CG1-CZ 4.42Å; V30-R167 PolarHBondContact O-NH2 2.97Å
31	L	83.7	Confident	85.5	Confident	100 Å²	100	29.2 Å²	29.2	52%	0.524	16%	0.155	S	C	.	.			trans	-83.1	-31.6	-177.1	-71.5	172.6	0	0	0	114.6	Q28 V29 R167	Q28-L31 WeakPolarHBondContact O-CG 3.39Å; V29-L31 PolarHBondContact O-N 3.29Å; L31-R167 PolarHBondContact O-NH2 2.98Å
32	S	91.1	Very high	86	Confident	19 Å²	19	26.2 Å²	26.2	13%	0.133	14%	0.137	C	C	.	.	S	Bend	trans	-145.8	169.5	-172.1	67.7	0	0	0	0	113	A34 T35 A36 E178	S32-A34 PolarHBondContact O-N 2.99Å; S32-A34 PolarHBondContact OG-N 2.99Å; S32-T35 PolarHBondContact N-OG1 3.39Å; S32-T35 WeakPolarHBondContact O-CB 3.42Å; S32-T35 PolarHBondContact O-N 2.82Å; S32-T35 VanDerWaalsContact O-N 3.13Å; S32-T35 PolarHBondContact OG-N 3.22Å; S32-T35 PolarHBondContact OG-OG1 3.49Å; S32-A36 PolarHBondContact O-N 3.23Å; S32-E178 WeakPolarHBondContact CB-OE2 3.49Å
33	L	94.4	Very high	86.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-38	167.3	172.9	64.1	0	0	0	111.4	T35 A36 V37 C59 I64 L160 F171 I175 E178 M182	L33-T35 VanDerWaalsContact C-N 3.34Å; L33-A36 PolarHBondContact O-N 3.28Å; L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 PolarHBondContact O-N 3.21Å; L33-C59 VanDerWaalsContact CD2-O 3.27Å; L33-C59 WeakPolarHBondContact CD2-O 3.43Å; L33-I64 HydrophobicContact CD1-CD1 3.45Å; L33-I64 VanDerWaalsContact CD1-CD1 3.45Å; L33-I64 HydrophobicContact CD1-CG1 4.02Å; L33-L160 HydrophobicContact CD1-CD2 4.41Å; L33-F171 HydrophobicContact CB-CE2 3.81Å; L33-F171 HydrophobicContact CB-CZ 4.24Å; L33-F171 HydrophobicContact CD1-CZ 4.43Å; L33-F171 HydrophobicContact CD2-CE2 4.22Å; L33-F171 HydrophobicContact CD2-CZ 4.42Å; L33-F171 HydrophobicContact CG-CE2 4.48Å; L33-I175 HydrophobicContact CD2-CD1 4.35Å; L33-E178 HydrophobicContact CB-CB 4.24Å; L33-E178 HydrophobicContact CD2-CB 4.4Å; L33-M182 HydrophobicContact CD2-CB 4.24Å; L33-M182 HydrophobicContact CG-CB 4.05Å; L33-M182 HydrophobicContact CG-CG 4.11Å
34	A	93.2	Very high	87.7	Confident	7 Å²	7	23.9 Å²	23.9	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175.8	0	0	0	0	0	111.5	S32 K38 K181 M182 V185	S32-A34 PolarHBondContact O-N 2.99Å; S32-A34 PolarHBondContact OG-N 2.99Å; A34-K38 WeakPolarHBondContact O-CB 3.09Å; A34-K38 PolarHBondContact O-N 2.87Å; A34-K181 HydrophobicContact CB-CB 4.34Å; A34-M182 HydrophobicContact CB-CB 3.98Å; A34-V185 HydrophobicContact CB-CB 4.42Å; A34-V185 HydrophobicContact CB-CG2 4.08Å
35	T	91.4	Very high	88.4	Confident	13 Å²	13	21.2 Å²	21.2	8%	0.08	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-42.6	175.3	-41.1	0	0	0	0	111.7	S32 L33 K38 E39	S32-T35 PolarHBondContact N-OG1 3.39Å; S32-T35 WeakPolarHBondContact O-CB 3.42Å; S32-T35 PolarHBondContact O-N 2.82Å; S32-T35 VanDerWaalsContact O-N 3.13Å; S32-T35 PolarHBondContact OG-N 3.22Å; S32-T35 PolarHBondContact OG-OG1 3.49Å; L33-T35 VanDerWaalsContact C-N 3.34Å; T35-K38 WeakPolarHBondContact O-CB 3.33Å; T35-K38 PolarHBondContact O-N 2.94Å; T35-E39 WeakPolarHBondContact O-CG 3.5Å; T35-E39 PolarHBondContact O-N 3.42Å
36	A	93.3	Very high	89.1	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-47.6	178.5	0	0	0	0	0	112.1	V30 S32 L33 L40 L112 L160	V30-A36 HydrophobicContact CG1-CB 3.94Å; S32-A36 PolarHBondContact O-N 3.23Å; L33-A36 PolarHBondContact O-N 3.28Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.42Å; A36-L112 HydrophobicContact CB-CD2 3.88Å; A36-L160 HydrophobicContact CB-CD2 3.94Å
37	V	95.6	Very high	89.6	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-39.7	177	175.6	0	0	0	0	111.2	L33 L40 V41 V54 I64 M182	L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 PolarHBondContact O-N 3.21Å; V37-L40 PolarHBondContact O-N 2.74Å; V37-V41 HydrophobicContact CG1-CG2 4.14Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 3.01Å; V37-V54 HydrophobicContact CG1-CG1 4.14Å; V37-V54 HydrophobicContact CG1-CG2 4.43Å; V37-I64 HydrophobicContact CG2-CG2 3.98Å; V37-M182 HydrophobicContact CB-CG 3.87Å; V37-M182 HydrophobicContact CB-SD 4.44Å; V37-M182 HydrophobicContact CG1-CG 4.22Å; V37-M182 HydrophobicContact CG1-SD 4.18Å; V37-M182 HydrophobicContact CG2-CG 3.78Å; V37-M182 HydrophobicContact CG2-SD 4.29Å
38	K	92.2	Very high	90.5	Very high	10 Å²	10	23.1 Å²	23.1	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-52.6	-60.4	174.5	172.1	-172.9	-178.9	-68.1	0	111.5	A34 T35 L40 V41 E42 V185 Y189 D337	A34-K38 WeakPolarHBondContact O-CB 3.09Å; A34-K38 PolarHBondContact O-N 2.87Å; T35-K38 WeakPolarHBondContact O-CB 3.33Å; T35-K38 PolarHBondContact O-N 2.94Å; K38-L40 PolarHBondContact O-N 3.07Å; K38-V41 PolarHBondContact O-N 2.76Å; K38-V41 VanDerWaalsContact O-N 3.15Å; K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.19Å; K38-E42 IonicContact NZ-OE1 2.69Å; K38-E42 PolarHBondContact NZ-OE1 3.13Å; K38-E42 IonicContact NZ-OE2 3.27Å; K38-E42 PolarHBondContact NZ-OE2 3.03Å; K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.01Å; K38-V185 HydrophobicContact CB-CG1 4.27Å; K38-Y189 WeakPolarHBondContact CE-OH 3.27Å; K38-Y189 HydrophobicContact CG-CE2 4.1Å; K38-Y189 WeakPolarHBondContact CG-OH 3.39Å; K38-D337 WeakPolarHBondContact CE-O 3.39Å; K38-D337 PolarHBondContact NZ-O 2.91Å; K38-D337 VanDerWaalsContact NZ-O 3.13Å
39	E	91.5	Very high	91.3	Very high	12 Å²	12	17.9 Å²	17.9	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-65.2	-27	-173.3	-62.8	-65.1	129	0	0	112.2	T35 E42 N43 A108 K338	T35-E39 WeakPolarHBondContact O-CG 3.5Å; T35-E39 PolarHBondContact O-N 3.42Å; E39-E42 VanDerWaalsContact OE1-OE2 3.11Å; E39-N43 WeakPolarHBondContact O-CB 3.09Å; E39-N43 PolarHBondContact O-N 3.39Å; E39-N43 PolarHBondContact O-ND2 3.2Å; E39-A108 HydrophobicContact CB-CB 3.97Å; E39-A108 HydrophobicContact CG-CB 4.32Å; E39-K338 WeakPolarHBondContact OE1-CE 3.42Å; E39-K338 IonicContact OE1-NZ 3.85Å; E39-K338 PolarHBondContact OE1-NZ 3.42Å; E39-K338 WeakPolarHBondContact OE2-CE 3.35Å; E39-K338 IonicContact OE2-NZ 3.68Å; E39-K338 PolarHBondContact OE2-NZ 2.94Å
40	L	94.8	Very high	92.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-72.2	-47.2	171.8	-67.1	-178.2	0	0	0	112.3	A36 V37 K38 E42 N43 S44 V66 L109 L112 V155 L157	A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.42Å; V37-L40 PolarHBondContact O-N 2.74Å; K38-L40 PolarHBondContact O-N 3.07Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.45Å; L40-N43 PolarHBondContact O-N 2.8Å; L40-S44 PolarHBondContact O-N 2.85Å; L40-S44 PolarHBondContact O-OG 2.92Å; L40-V66 HydrophobicContact CB-CB 4.06Å; L40-V66 HydrophobicContact CB-CG1 4.24Å; L40-V66 HydrophobicContact CB-CG2 3.79Å; L40-V66 HydrophobicContact CD1-CB 4.22Å; L40-V66 HydrophobicContact CD1-CG2 3.75Å; L40-V66 HydrophobicContact CG-CG2 4.44Å; L40-L109 HydrophobicContact CD2-CD2 3.8Å; L40-L112 HydrophobicContact CD2-CD1 3.94Å; L40-L112 HydrophobicContact CG-CD1 4.2Å; L40-V155 HydrophobicContact CD1-CB 4.4Å; L40-V155 HydrophobicContact CD1-CG1 4.28Å; L40-V155 HydrophobicContact CD2-CB 3.96Å; L40-V155 HydrophobicContact CD2-CG1 3.74Å; L40-V155 HydrophobicContact CD2-CG2 4.18Å; L40-L157 HydrophobicContact CD1-CD1 3.98Å; L40-L157 HydrophobicContact CD1-CG 4.26Å
41	V	95.2	Very high	92.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-39	177.7	171.9	0	0	0	0	111.4	V37 K38 N43 S44 I45 V52 V54 V66 L186 Y189 I198	V37-V41 HydrophobicContact CG1-CG2 4.14Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 3.01Å; K38-V41 PolarHBondContact O-N 2.76Å; K38-V41 VanDerWaalsContact O-N 3.15Å; V41-N43 VanDerWaalsContact C-N 3.34Å; V41-N43 PolarHBondContact O-N 3.29Å; V41-S44 PolarHBondContact O-N 3.4Å; V41-I45 HydrophobicContact CG1-CD1 3.9Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.85Å; V41-V52 HydrophobicContact CG2-CG1 4.39Å; V41-V54 HydrophobicContact CG2-CG2 3.87Å; V41-V66 HydrophobicContact CG2-CG1 4.31Å; V41-L186 HydrophobicContact CG1-CD1 4.48Å; V41-L186 HydrophobicContact CG2-CD1 4.1Å; V41-Y189 HydrophobicContact CG1-CG 4.49Å; V41-I198 HydrophobicContact CG1-CD1 4.48Å
42	E	92	Very high	93.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-44	171.7	-77.3	-169.8	156.6	0	0	111.6	K38 E39 L40 I45 D46 F102 Y189 K338	K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.19Å; K38-E42 IonicContact NZ-OE1 2.69Å; K38-E42 PolarHBondContact NZ-OE1 3.13Å; K38-E42 IonicContact NZ-OE2 3.27Å; K38-E42 PolarHBondContact NZ-OE2 3.03Å; K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.01Å; E39-E42 VanDerWaalsContact OE1-OE2 3.11Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.45Å; E42-I45 PolarHBondContact O-N 3.18Å; E42-D46 WeakPolarHBondContact O-CB 3.32Å; E42-D46 VanDerWaalsContact O-CG 3.23Å; E42-D46 PolarHBondContact O-N 3.1Å; E42-F102 HydrophobicContact CB-CB 3.55Å; E42-F102 HydrophobicContact CB-CG 4.32Å; E42-F102 HydrophobicContact CG-CB 3.56Å; E42-F102 HydrophobicContact CG-CD1 3.91Å; E42-F102 HydrophobicContact CG-CG 3.97Å; E42-Y189 HydrophobicContact CG-CE1 3.74Å; E42-Y189 PolarHBondContact OE1-OH 3.08Å; E42-K338 IonicContact OE2-NZ 3.42Å; E42-K338 PolarHBondContact OE2-NZ 3.47Å
43	N	91.8	Very high	93.8	Very high	49 Å²	49	20.7 Å²	20.7	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-68.1	-34.7	176.8	-79.7	-52.5	0	0	0	113.4	E39 L40 V41 A47 K89	E39-N43 WeakPolarHBondContact O-CB 3.09Å; E39-N43 PolarHBondContact O-N 3.39Å; E39-N43 PolarHBondContact O-ND2 3.2Å; L40-N43 PolarHBondContact O-N 2.8Å; V41-N43 VanDerWaalsContact C-N 3.34Å; V41-N43 PolarHBondContact O-N 3.29Å; N43-A47 WeakPolarHBondContact O-CB 3.28Å; N43-A47 PolarHBondContact O-N 2.93Å; N43-K89 PolarHBondContact OD1-NZ 2.69Å
44	S	94.8	Very high	94	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-40.5	173	-64.5	0	0	0	0	112.2	L40 V41 A47 A49 D68	L40-S44 PolarHBondContact O-N 2.85Å; L40-S44 PolarHBondContact O-OG 2.92Å; V41-S44 PolarHBondContact O-N 3.4Å; S44-A47 PolarHBondContact O-N 2.97Å; S44-A49 WeakPolarHBondContact O-CB 3.5Å; S44-A49 PolarHBondContact O-N 3.44Å; S44-D68 VanDerWaalsContact CB-OD2 3.31Å; S44-D68 WeakPolarHBondContact CB-OD2 2.99Å; S44-D68 WeakPolarHBondContact OG-CB 3.3Å; S44-D68 PolarHBondContact OG-OD2 2.96Å
45	I	92.1	Very high	94.2	Very high	30 Å²	30	21.6 Å²	21.6	15%	0.154	13%	0.132	C	C	.	.	H	α-helix	trans	-66.2	-45.8	175.4	-66.2	164.4	0	0	0	110.3	V41 E42 A47 G48 F102 Y189	V41-I45 HydrophobicContact CG1-CD1 3.9Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.85Å; E42-I45 PolarHBondContact O-N 3.18Å; I45-A47 PolarHBondContact O-N 3.05Å; I45-A47 VanDerWaalsContact O-N 3.13Å; I45-G48 PolarHBondContact O-N 2.85Å; I45-F102 HydrophobicContact CB-CD2 4.49Å; I45-F102 HydrophobicContact CG2-CD2 3.95Å; I45-F102 HydrophobicContact CG2-CE2 3.7Å; I45-Y189 HydrophobicContact CD1-CD1 4.09Å
46	D	90	Very high	94.5	Very high	25 Å²	25	21.1 Å²	21.1	13%	0.134	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.8	174.2	-70.5	-22.1	0	0	0	113.8	E42 K89 T101 F102 G103	E42-D46 WeakPolarHBondContact O-CB 3.32Å; E42-D46 VanDerWaalsContact O-CG 3.23Å; E42-D46 PolarHBondContact O-N 3.1Å; D46-K89 VanDerWaalsContact CB-NZ 3.28Å; D46-K89 IonicContact OD2-NZ 3Å; D46-K89 PolarHBondContact OD2-NZ 3.25Å; D46-T101 WeakPolarHBondContact OD1-CA 3.13Å; D46-T101 WeakPolarHBondContact OD1-CB 3.45Å; D46-F102 PolarHBondContact OD1-N 2.79Å; D46-F102 PolarHBondContact OD2-N 2.79Å; D46-G103 PolarHBondContact OD2-N 3.16Å
47	A	90.3	Very high	94.6	Very high	16 Å²	16	23.7 Å²	23.7	13%	0.132	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.8	172.4	0	0	0	0	0	113.2	N43 S44 I45 G70 R71	N43-A47 WeakPolarHBondContact O-CB 3.28Å; N43-A47 PolarHBondContact O-N 2.93Å; S44-A47 PolarHBondContact O-N 2.97Å; I45-A47 PolarHBondContact O-N 3.05Å; I45-A47 VanDerWaalsContact O-N 3.13Å; A47-G70 CarbonylContact O-C 3.54Å; A47-G70 VanDerWaalsContact O-CA 3.24Å; A47-G70 WeakPolarHBondContact O-CA 3.18Å; A47-R71 PolarHBondContact O-N 3.17Å
48	G	91.8	Very high	94.5	Very high	58 Å²	58	26.9 Å²	26.9	60%	0.598	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	18.6	179.4	0	0	0	0	0	114.7	I45 T50	I45-G48 PolarHBondContact O-N 2.85Å; G48-T50 PolarHBondContact O-N 2.9Å
49	A	95.6	Very high	94.6	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	16%	0.16	C	C	.	.			trans	-66.5	132.1	-176.6	0	0	0	0	0	112.9	S44 V52 D68	S44-A49 WeakPolarHBondContact O-CB 3.5Å; S44-A49 PolarHBondContact O-N 3.44Å; A49-V52 HydrophobicContact CB-CG2 3.93Å; A49-D68 HydrophobicContact CB-CB 3.71Å
50	T	96.5	Very high	94.7	Very high	84 Å²	84	27 Å²	27	52%	0.515	16%	0.158	S	C	.	.	S	Bend	trans	-94.6	-14	173.5	48.5	0	0	0	0	112.8	G48 N69 R197	G48-T50 PolarHBondContact O-N 2.9Å; T50-N69 PolarHBondContact N-OD1 3.23Å; T50-N69 PolarHBondContact OG1-ND2 3.22Å; T50-N69 PolarHBondContact OG1-OD1 3.04Å; T50-R197 PolarHBondContact O-N 2.96Å
51	N	97.4	Very high	94.6	Very high	54 Å²	54	27.6 Å²	27.6	29%	0.289	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	121.8	175.2	177.3	86.7	0	0	0	110.9	D68 N69 R197	N51-D68 WeakPolarHBondContact O-CA 3.3Å; N51-N69 PolarHBondContact N-OD1 2.76Å; N51-N69 PolarHBondContact O-N 3.08Å; N51-N69 PolarHBondContact O-OD1 3.22Å; N51-R197 CarbonylContact C-O 3.56Å; N51-R197 WeakPolarHBondContact CA-O 3.23Å; N51-R197 HydrophobicContact CB-CB 4.41Å; N51-R197 WeakPolarHBondContact OD1-CD 3.42Å; N51-R197 WeakPolarHBondContact OD1-CG 3.32Å
52	V	98	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.9	179.4	-174	0	0	0	0	109.4	V41 A49 V66 S67 D68 V196 R197 I198 T199	V41-V52 HydrophobicContact CG2-CG1 4.39Å; A49-V52 HydrophobicContact CB-CG2 3.93Å; V52-V66 HydrophobicContact CG1-CG1 3.94Å; V52-S67 CarbonylContact C-O 3.27Å; V52-S67 WeakPolarHBondContact CA-O 3.44Å; V52-D68 HydrophobicContact CG2-CB 4.27Å; V52-V196 HydrophobicContact CG2-CG1 4.18Å; V52-R197 PolarHBondContact N-O 3.11Å; V52-I198 WeakPolarHBondContact O-CA 3.34Å; V52-T199 PolarHBondContact O-N 3.26Å
53	E	97.8	Very high	94.8	Very high	61 Å²	61	32.4 Å²	32.4	29%	0.285	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.9	179.2	-163.5	-165.2	169.7	0	0	110.5	K55 S67 T199	E53-K55 HydrophobicContact CG-CG 4.33Å; E53-K55 WeakPolarHBondContact OE1-CE 3.43Å; E53-K55 WeakPolarHBondContact OE2-CE 3.07Å; E53-K55 IonicContact OE2-NZ 3.14Å; E53-K55 PolarHBondContact OE2-NZ 2.9Å; E53-S67 PolarHBondContact N-O 2.95Å; E53-S67 PolarHBondContact O-N 2.92Å; E53-T199 WeakPolarHBondContact CA-O 3.46Å
54	V	98.2	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.3	172.4	-175.8	0	0	0	0	109	V37 V41 L56 V66 L186 T199 C200 S201	V37-V54 HydrophobicContact CG1-CG1 4.14Å; V37-V54 HydrophobicContact CG1-CG2 4.43Å; V41-V54 HydrophobicContact CG2-CG2 3.87Å; V54-L56 HydrophobicContact CG1-CD2 4.32Å; V54-L56 HydrophobicContact CG1-CG 4.27Å; V54-V66 HydrophobicContact CG1-CG2 4.41Å; V54-V66 HydrophobicContact CG2-CG2 4.29Å; V54-L186 HydrophobicContact CB-CD2 4.5Å; V54-L186 HydrophobicContact CG2-CD1 4.48Å; V54-L186 HydrophobicContact CG2-CD2 4.27Å; V54-T199 PolarHBondContact N-O 3.28Å; V54-C200 HydrophobicContact CB-CB 4.44Å; V54-C200 CarbonylContact O-C 3.59Å; V54-C200 WeakPolarHBondContact O-CA 3.14Å; V54-S201 PolarHBondContact O-N 3.16Å; V54-S201 PolarHBondContact O-OG 3.2Å
55	K	97.7	Very high	95.2	Very high	25 Å²	25	31.8 Å²	31.8	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.9	176.3	-56.3	143.8	-174.8	162.7	0	109.1	E53 E65	E53-K55 HydrophobicContact CG-CG 4.33Å; E53-K55 WeakPolarHBondContact OE1-CE 3.43Å; E53-K55 WeakPolarHBondContact OE2-CE 3.07Å; E53-K55 IonicContact OE2-NZ 3.14Å; E53-K55 PolarHBondContact OE2-NZ 2.9Å; K55-E65 HydrophobicContact CB-CB 4.25Å; K55-E65 HydrophobicContact CD-CB 4.34Å; K55-E65 VanDerWaalsContact CD-CD 3.46Å; K55-E65 HydrophobicContact CD-CG 3.96Å; K55-E65 WeakPolarHBondContact CD-OE1 3.43Å; K55-E65 WeakPolarHBondContact CE-OE1 3.21Å; K55-E65 PolarHBondContact N-O 2.79Å; K55-E65 IonicContact NZ-OE1 2.68Å; K55-E65 PolarHBondContact NZ-OE1 2.97Å; K55-E65 PolarHBondContact O-N 3.34Å
56	L	97.4	Very high	95.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.8	-177.2	-59.5	168.7	0	0	0	109.5	V54 I64 F179 M182 S201 N202 Q203	V54-L56 HydrophobicContact CG1-CD2 4.32Å; V54-L56 HydrophobicContact CG1-CG 4.27Å; L56-I64 HydrophobicContact CD2-CB 4.23Å; L56-I64 HydrophobicContact CD2-CG1 3.94Å; L56-I64 HydrophobicContact CD2-CG2 3.98Å; L56-F179 HydrophobicContact CD1-CD2 4.17Å; L56-F179 HydrophobicContact CD1-CE2 3.75Å; L56-M182 HydrophobicContact CD1-CE 3.34Å; L56-M182 HydrophobicContact CD1-SD 4.32Å; L56-S201 PolarHBondContact N-O 3Å; L56-N202 HydrophobicContact CB-CB 4.4Å; L56-N202 CarbonylContact O-C 3.57Å; L56-N202 WeakPolarHBondContact O-CA 3.26Å; L56-N202 PolarHBondContact O-OD1 2.81Å; L56-Q203 PolarHBondContact O-N 3.27Å
57	K	95.7	Very high	95.9	Very high	54 Å²	54	30.4 Å²	30.4	24%	0.235	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.9	164.7	-68.1	-175.9	-174.9	160.7	0	110	C59 G60 A61 E62 Q63 Q203	K57-C59 PolarHBondContact O-N 3.07Å; K57-G60 WeakPolarHBondContact O-CA 3.37Å; K57-G60 PolarHBondContact O-N 3.27Å; K57-A61 PolarHBondContact O-N 3.33Å; K57-E62 HydrophobicContact CB-CB 3.93Å; K57-E62 HydrophobicContact CB-CG 4.45Å; K57-E62 HydrophobicContact CD-CG 4.32Å; K57-E62 WeakPolarHBondContact CD-OE1 2.92Å; K57-E62 WeakPolarHBondContact CD-OE2 3.39Å; K57-E62 WeakPolarHBondContact CE-OE1 3.42Å; K57-E62 IonicContact NZ-OE1 2.66Å; K57-E62 PolarHBondContact NZ-OE1 2.93Å; K57-E62 PolarHBondContact O-N 3.27Å; K57-Q63 HydrophobicContact CB-CB 4.13Å; K57-Q63 HydrophobicContact CD-CB 4.02Å; K57-Q63 HydrophobicContact CG-CB 4.23Å; K57-Q63 PolarHBondContact N-O 3.06Å; K57-Q203 CarbonylContact C-O 3.54Å; K57-Q203 WeakPolarHBondContact CA-O 3.36Å; K57-Q203 HydrophobicContact CG-CB 4.47Å
58	E	94.4	Very high	96.3	Very high	71 Å²	71	30.2 Å²	30.2	33%	0.332	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	46.3	48.9	-171.5	-69.2	-54	147.6	0	0	112.6	G60 A61 E62 Q203 T204 G205	E58-G60 PolarHBondContact O-N 2.92Å; E58-G60 VanDerWaalsContact O-N 3.08Å; E58-A61 HydrophobicContact CB-CB 4.12Å; E58-A61 WeakPolarHBondContact O-CB 3.44Å; E58-A61 PolarHBondContact O-N 3.33Å; E58-E62 HydrophobicContact CB-CB 4.45Å; E58-Q203 PolarHBondContact N-O 2.93Å; E58-T204 VanDerWaalsContact OE1-CA 3.31Å; E58-T204 WeakPolarHBondContact OE1-CA 3.46Å; E58-T204 WeakPolarHBondContact OE1-CG2 3.41Å; E58-G205 PolarHBondContact OE1-N 3.15Å
59	C	93.5	Very high	96.5	Very high	24 Å²	24	30.4 Å²	30.4	16%	0.162	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	58.3	20	-178.1	-54.1	0	0	0	0	114.4	L33 K57 I175 F179 N202	L33-C59 VanDerWaalsContact CD2-O 3.27Å; L33-C59 WeakPolarHBondContact CD2-O 3.43Å; K57-C59 PolarHBondContact O-N 3.07Å; C59-I175 HydrophobicContact CB-CD1 4.46Å; C59-I175 HydrophobicContact CB-CG1 3.94Å; C59-F179 HydrophobicContact CB-CB 4Å; C59-F179 HydrophobicContact CB-CD2 3.57Å; C59-F179 HydrophobicContact CB-CE2 4.18Å; C59-F179 HydrophobicContact CB-CG 3.85Å; C59-F179 WeakPolarHBondContact O-CD2 3.43Å; C59-N202 VanDerWaalsContact CA-OD1 3.28Å; C59-N202 WeakPolarHBondContact CA-OD1 3.38Å; C59-N202 PolarHBondContact N-OD1 2.9Å
60	G	93.3	Very high	96.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	101.8	3.4	-176.8	0	0	0	0	0	114.7	K57 E58	K57-G60 WeakPolarHBondContact O-CA 3.37Å; K57-G60 PolarHBondContact O-N 3.27Å; E58-G60 PolarHBondContact O-N 2.92Å; E58-G60 VanDerWaalsContact O-N 3.08Å
61	A	93.2	Very high	96.4	Very high	16 Å²	16	32 Å²	32	13%	0.132	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-39.4	177.5	0	0	0	0	0	113.3	K57 E58 I175	K57-A61 PolarHBondContact O-N 3.33Å; E58-A61 HydrophobicContact CB-CB 4.12Å; E58-A61 WeakPolarHBondContact O-CB 3.44Å; E58-A61 PolarHBondContact O-N 3.33Å; A61-I175 HydrophobicContact CB-CD1 4Å; A61-I175 HydrophobicContact CB-CG1 4.2Å
62	E	94.9	Very high	96.2	Very high	76 Å²	76	29.8 Å²	29.8	36%	0.355	15%	0.146	S	C	.	.	S	Bend	trans	-84	-51.8	177.8	-176.4	-160.6	141.3	0	0	111.2	K57 E58 Q159	K57-E62 HydrophobicContact CB-CB 3.93Å; K57-E62 HydrophobicContact CB-CG 4.45Å; K57-E62 HydrophobicContact CD-CG 4.32Å; K57-E62 WeakPolarHBondContact CD-OE1 2.92Å; K57-E62 WeakPolarHBondContact CD-OE2 3.39Å; K57-E62 WeakPolarHBondContact CE-OE1 3.42Å; K57-E62 IonicContact NZ-OE1 2.66Å; K57-E62 PolarHBondContact NZ-OE1 2.93Å; K57-E62 PolarHBondContact O-N 3.27Å; E58-E62 HydrophobicContact CB-CB 4.45Å; E62-Q159 PolarHBondContact O-N 3.18Å
63	Q	96.5	Very high	96	Very high	25 Å²	25	31 Å²	31	12%	0.117	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	142.7	-171.4	-172	179.6	-2.7	0	0	111.5	K57 T156 L157 Q158	K57-Q63 HydrophobicContact CB-CB 4.13Å; K57-Q63 HydrophobicContact CD-CB 4.02Å; K57-Q63 HydrophobicContact CG-CB 4.23Å; K57-Q63 PolarHBondContact N-O 3.06Å; Q63-T156 HydrophobicContact CG-CG2 4.06Å; Q63-T156 VanDerWaalsContact NE2-CG2 3.3Å; Q63-L157 WeakPolarHBondContact CA-O 3.46Å; Q63-Q158 HydrophobicContact CG-CG 4.31Å
64	I	97.9	Very high	95.7	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125	168.3	-56	160.5	0	0	0	106.6	L33 V37 L56 V66 T156 L157 L160	L33-I64 HydrophobicContact CD1-CD1 3.45Å; L33-I64 VanDerWaalsContact CD1-CD1 3.45Å; L33-I64 HydrophobicContact CD1-CG1 4.02Å; V37-I64 HydrophobicContact CG2-CG2 3.98Å; L56-I64 HydrophobicContact CD2-CB 4.23Å; L56-I64 HydrophobicContact CD2-CG1 3.94Å; L56-I64 HydrophobicContact CD2-CG2 3.98Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; I64-T156 CarbonylContact O-C 3.6Å; I64-T156 WeakPolarHBondContact O-CA 3.41Å; I64-L157 HydrophobicContact CB-CB 4.27Å; I64-L157 HydrophobicContact CB-CD1 4.38Å; I64-L157 HydrophobicContact CD1-CD1 4.14Å; I64-L157 PolarHBondContact N-O 2.93Å; I64-L157 PolarHBondContact O-N 3.04Å; I64-L160 HydrophobicContact CD1-CB 4.36Å; I64-L160 HydrophobicContact CD1-CD2 3.79Å
65	E	97.9	Very high	95.4	Very high	40 Å²	40	37.9 Å²	37.9	19%	0.187	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.8	175.3	174	-172.6	139.9	0	0	108.2	K55 T154 V155	K55-E65 HydrophobicContact CB-CB 4.25Å; K55-E65 HydrophobicContact CD-CB 4.34Å; K55-E65 VanDerWaalsContact CD-CD 3.46Å; K55-E65 HydrophobicContact CD-CG 3.96Å; K55-E65 WeakPolarHBondContact CD-OE1 3.43Å; K55-E65 WeakPolarHBondContact CE-OE1 3.21Å; K55-E65 PolarHBondContact N-O 2.79Å; K55-E65 IonicContact NZ-OE1 2.68Å; K55-E65 PolarHBondContact NZ-OE1 2.97Å; K55-E65 PolarHBondContact O-N 3.34Å; E65-T154 HydrophobicContact CG-CG2 4.01Å; E65-V155 WeakPolarHBondContact CA-O 3.4Å
66	V	98.2	Very high	95	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.7	173.9	-178.5	0	0	0	0	107.5	L40 V41 V52 V54 I64 T154 V155	L40-V66 HydrophobicContact CB-CB 4.06Å; L40-V66 HydrophobicContact CB-CG1 4.24Å; L40-V66 HydrophobicContact CB-CG2 3.79Å; L40-V66 HydrophobicContact CD1-CB 4.22Å; L40-V66 HydrophobicContact CD1-CG2 3.75Å; L40-V66 HydrophobicContact CG-CG2 4.44Å; V41-V66 HydrophobicContact CG2-CG1 4.31Å; V52-V66 HydrophobicContact CG1-CG1 3.94Å; V54-V66 HydrophobicContact CG1-CG2 4.41Å; V54-V66 HydrophobicContact CG2-CG2 4.29Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; V66-T154 CarbonylContact O-C 3.49Å; V66-T154 WeakPolarHBondContact O-CA 3.42Å; V66-V155 PolarHBondContact N-O 2.85Å; V66-V155 PolarHBondContact O-N 3.14Å
67	S	97.8	Very high	94.6	Very high	24 Å²	24	45 Å²	45	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.1	-179.6	-161.6	0	0	0	0	111	V52 E53 T153 T154	V52-S67 CarbonylContact C-O 3.27Å; V52-S67 WeakPolarHBondContact CA-O 3.44Å; E53-S67 PolarHBondContact N-O 2.95Å; E53-S67 PolarHBondContact O-N 2.92Å; S67-T153 WeakPolarHBondContact CA-O 3.18Å; S67-T154 PolarHBondContact OG-OG1 2.83Å
68	D	97.9	Very high	94.5	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	171.1	-178.9	70.3	60.7	0	0	0	112.9	S44 A49 N51 V52 G70 T153	S44-D68 VanDerWaalsContact CB-OD2 3.31Å; S44-D68 WeakPolarHBondContact CB-OD2 2.99Å; S44-D68 WeakPolarHBondContact OG-CB 3.3Å; S44-D68 PolarHBondContact OG-OD2 2.96Å; A49-D68 HydrophobicContact CB-CB 3.71Å; N51-D68 WeakPolarHBondContact O-CA 3.3Å; V52-D68 HydrophobicContact CG2-CB 4.27Å; D68-G70 PolarHBondContact OD1-N 3.18Å; D68-T153 PolarHBondContact N-O 3.01Å; D68-T153 PolarHBondContact OD1-N 3.45Å
69	N	96.8	Very high	94.1	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.332	25%	0.246	S	C	.	.			trans	-116.5	34.3	172.8	71.9	-25.4	0	0	0	112.3	T50 N51	T50-N69 PolarHBondContact N-OD1 3.23Å; T50-N69 PolarHBondContact OG1-ND2 3.22Å; T50-N69 PolarHBondContact OG1-OD1 3.04Å; N51-N69 PolarHBondContact N-OD1 2.76Å; N51-N69 PolarHBondContact O-N 3.08Å; N51-N69 PolarHBondContact O-OD1 3.22Å
70	G	94.9	Very high	93.7	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	-70.2	-167.7	175	0	0	0	0	0	112.9	A47 D68 G72 G152	A47-G70 CarbonylContact O-C 3.54Å; A47-G70 VanDerWaalsContact O-CA 3.24Å; A47-G70 WeakPolarHBondContact O-CA 3.18Å; D68-G70 PolarHBondContact OD1-N 3.18Å; G70-G72 PolarHBondContact O-N 3.49Å; G70-G72 VanDerWaalsContact O-N 3.16Å; G70-G152 WeakPolarHBondContact O-CA 3.48Å; G70-G152 PolarHBondContact O-N 3.15Å
71	R	94.2	Very high	93.4	Very high	119 Å²	119	48.2 Å²	48.2	45%	0.449	26%	0.259	S	S	.	.	S	Bend	trans	-59.9	-25.6	179	63.5	-178.7	166.7	-159	-10.8	114.9	A47 H124 E125	A47-R71 PolarHBondContact O-N 3.17Å; R71-H124 WeakPolarHBondContact O-CA 3.37Å; R71-H124 PolarHBondContact O-CD2 2.74Å; R71-E125 PolarHBondContact O-N 2.93Å
72	G	93.3	Very high	93.1	Very high	7 Å²	7	47.5 Å²	47.5	7%	0.072	25%	0.253	C	S	.	.			trans	92.4	-162.5	-171.3	0	0	0	0	0	113.2	G70 G152	G70-G72 PolarHBondContact O-N 3.49Å; G70-G72 VanDerWaalsContact O-N 3.16Å; G72-G152 WeakPolarHBondContact CA-O 3.47Å
73	V	93.6	Very high	92.5	Very high	26 Å²	26	46.1 Å²	46.1	16%	0.158	25%	0.248	C	C	.	.			trans	-129.2	132.2	174.2	-176.6	0	0	0	0	108.6	N77 F78 L81 T122	V73-N77 HydrophobicContact CG1-CB 3.97Å; V73-F78 HydrophobicContact CB-CE1 4.42Å; V73-F78 HydrophobicContact CG1-CD1 4.14Å; V73-F78 HydrophobicContact CG1-CE1 4.35Å; V73-F78 WeakPolarHBondContact O-CE1 3.4Å; V73-L81 HydrophobicContact CG1-CD1 4.29Å; V73-L81 HydrophobicContact CG1-CD2 4.45Å; V73-L81 HydrophobicContact CG2-CD1 4.21Å; V73-L81 HydrophobicContact CG2-CD2 4.45Å; V73-T122 HydrophobicContact CB-CG2 4.05Å; V73-T122 PolarHBondContact N-OG1 3.37Å
74	E	92.8	Very high	91.7	Very high	87 Å²	87	46.9 Å²	46.9	41%	0.407	25%	0.251	S	S	.	.			trans	-72.1	149	175.2	-65.5	-179	141	0	0	112.3	A76 N77 F78 H124	E74-A76 VanDerWaalsContact C-N 3.3Å; E74-A76 PolarHBondContact O-N 2.96Å; E74-N77 WeakPolarHBondContact O-CB 3.5Å; E74-N77 PolarHBondContact O-N 2.94Å; E74-F78 WeakPolarHBondContact O-CD1 3.48Å; E74-H124 HydrophobicContact CG-CB 4.44Å; E74-H124 VanDerWaalsContact CG-CE1 3.42Å; E74-H124 WeakPolarHBondContact CG-CE1 3.45Å; E74-H124 WeakPolarHBondContact CG-ND1 3.34Å; E74-H124 IonicContact OE1-CE1 2.76Å; E74-H124 PolarHBondContact OE1-CE1 2.94Å; E74-H124 IonicContact OE1-ND1 3.71Å
75	E	90.7	Very high	90.6	Very high	117 Å²	117	53.2 Å²	53.2	55%	0.547	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.8	-37.6	-177.9	-179	155.4	-138.8	0	0	113.7	N77 F78 Q144	E75-N77 PolarHBondContact O-N 3.13Å; E75-F78 HydrophobicContact CB-CD2 4.12Å; E75-F78 HydrophobicContact CB-CE2 3.73Å; E75-F78 HydrophobicContact CB-CZ 4Å; E75-F78 HydrophobicContact CG-CD2 3.82Å; E75-F78 HydrophobicContact CG-CE2 3.67Å; E75-F78 HydrophobicContact CG-CZ 4.44Å; E75-F78 WeakPolarHBondContact O-CB 3.4Å; E75-F78 WeakPolarHBondContact O-CG 3.45Å; E75-F78 PolarHBondContact O-N 2.89Å; E75-Q144 PolarHBondContact OE1-NE2 3.11Å
76	A	89.8	Confident	89.4	Confident	99 Å²	99	56.3 Å²	56.3	82%	0.818	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.4	174.5	0	0	0	0	0	114.1	E74	E74-A76 VanDerWaalsContact C-N 3.3Å; E74-A76 PolarHBondContact O-N 2.96Å
77	N	90.4	Very high	88.4	Confident	79 Å²	79	59 Å²	59	42%	0.422	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-101.4	-1.9	179	-67.6	-79.3	0	0	0	113.3	V73 E74 E75 E79 G80 L81	V73-N77 HydrophobicContact CG1-CB 3.97Å; E74-N77 WeakPolarHBondContact O-CB 3.5Å; E74-N77 PolarHBondContact O-N 2.94Å; E75-N77 PolarHBondContact O-N 3.13Å; N77-E79 PolarHBondContact O-N 2.69Å; N77-G80 PolarHBondContact O-N 2.98Å; N77-L81 WeakPolarHBondContact O-CB 3.31Å; N77-L81 PolarHBondContact O-N 3.4Å
78	F	91.7	Very high	87.2	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.018	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.3	-174.6	-70.4	-11.8	0	0	0	113.6	V73 E74 E75 T122 T131 L133 L141	V73-F78 HydrophobicContact CB-CE1 4.42Å; V73-F78 HydrophobicContact CG1-CD1 4.14Å; V73-F78 HydrophobicContact CG1-CE1 4.35Å; V73-F78 WeakPolarHBondContact O-CE1 3.4Å; E74-F78 WeakPolarHBondContact O-CD1 3.48Å; E75-F78 HydrophobicContact CB-CD2 4.12Å; E75-F78 HydrophobicContact CB-CE2 3.73Å; E75-F78 HydrophobicContact CB-CZ 4Å; E75-F78 HydrophobicContact CG-CD2 3.82Å; E75-F78 HydrophobicContact CG-CE2 3.67Å; E75-F78 HydrophobicContact CG-CZ 4.44Å; E75-F78 WeakPolarHBondContact O-CB 3.4Å; E75-F78 WeakPolarHBondContact O-CG 3.45Å; E75-F78 PolarHBondContact O-N 2.89Å; F78-T122 HydrophobicContact CD1-CG2 4.47Å; F78-T122 HydrophobicContact CE1-CG2 3.63Å; F78-T122 HydrophobicContact CZ-CG2 4.16Å; F78-T131 HydrophobicContact CD2-CG2 4.42Å; F78-T131 HydrophobicContact CE2-CG2 3.72Å; F78-T131 HydrophobicContact CZ-CG2 4.2Å; F78-L133 HydrophobicContact CB-CD1 4.08Å; F78-L133 HydrophobicContact CB-CD2 4.2Å; F78-L133 HydrophobicContact CD1-CD1 3.67Å; F78-L133 HydrophobicContact CD1-CD2 4.49Å; F78-L133 HydrophobicContact CD2-CD1 4.37Å; F78-L133 HydrophobicContact CD2-CD2 3.71Å; F78-L133 HydrophobicContact CE1-CD1 4.16Å; F78-L133 HydrophobicContact CE2-CD2 4.16Å; F78-L133 HydrophobicContact CG-CD1 3.78Å; F78-L133 HydrophobicContact CG-CD2 3.9Å; F78-L133 HydrophobicContact CG-CG 4.49Å; F78-L141 HydrophobicContact CB-CD2 4.22Å
79	E	87.9	Confident	86.1	Confident	148 Å²	148	64.2 Å²	64.2	69%	0.692	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-39.1	177.7	-63.3	-169.9	166	0	0	112.1	N77 L83	N77-E79 PolarHBondContact O-N 2.69Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å
80	G	84.5	Confident	84.9	Confident	22 Å²	22	63.1 Å²	63.1	23%	0.227	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-74.8	-20.2	-179.8	0	0	0	0	0	114.8	N77 A82 L83	N77-G80 PolarHBondContact O-N 2.98Å; G80-A82 PolarHBondContact O-N 2.69Å; G80-A82 VanDerWaalsContact O-N 3.08Å; G80-L83 PolarHBondContact O-N 2.82Å; G80-L83 VanDerWaalsContact O-N 3.13Å
81	L	86.9	Confident	83.6	Confident	43 Å²	43	74.5 Å²	74.5	23%	0.225	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-56	-31.9	-168.4	-176	61.8	0	0	0	114.7	V73 N77 L109 V120 L133 F135	V73-L81 HydrophobicContact CG1-CD1 4.29Å; V73-L81 HydrophobicContact CG1-CD2 4.45Å; V73-L81 HydrophobicContact CG2-CD1 4.21Å; V73-L81 HydrophobicContact CG2-CD2 4.45Å; N77-L81 WeakPolarHBondContact O-CB 3.31Å; N77-L81 PolarHBondContact O-N 3.4Å; L81-L109 HydrophobicContact CD1-CD1 3.78Å; L81-L109 HydrophobicContact CG-CD1 3.89Å; L81-L109 WeakPolarHBondContact O-CD1 3.45Å; L81-V120 HydrophobicContact CD2-CG1 4.23Å; L81-V120 HydrophobicContact CD2-CG2 4.23Å; L81-L133 HydrophobicContact CD2-CD1 4.22Å; L81-F135 HydrophobicContact CB-CZ 4.31Å; L81-F135 HydrophobicContact CD2-CZ 4.19Å
82	A	86.3	Confident	82.5	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.008	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-117.8	10	-178.9	0	0	0	0	0	113.9	G80 S110 F135 G139	G80-A82 PolarHBondContact O-N 2.69Å; G80-A82 VanDerWaalsContact O-N 3.08Å; A82-S110 WeakPolarHBondContact O-CA 3.49Å; A82-S110 WeakPolarHBondContact O-CB 3.39Å; A82-F135 HydrophobicContact CB-CD1 3.62Å; A82-F135 HydrophobicContact CB-CE1 3.84Å; A82-F135 HydrophobicContact CB-CG 4.03Å; A82-F135 HydrophobicContact CB-CZ 4.42Å; A82-G139 WeakPolarHBondContact CB-O 3.14Å; A82-G139 VanDerWaalsContact O-CA 3.28Å; A82-G139 WeakPolarHBondContact O-CA 3.36Å
83	L	83.7	Confident	81.1	Confident	47 Å²	47	80.4 Å²	80.4	25%	0.246	41%	0.41	C	S	.	.	S	Bend	trans	-80.2	155.3	174.4	-62.7	-178.9	0	0	0	111.6	E79 G80 H86	E79-L83 WeakPolarHBondContact O-CG 3.32Å; G80-L83 PolarHBondContact O-N 2.82Å; G80-L83 VanDerWaalsContact O-N 3.13Å; L83-H86 HydrophobicContact CB-CB 4.44Å
84	K	77.7	Confident	79.9	Confident	41 Å²	41	82.7 Å²	82.7	18%	0.178	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	143.3	178.1	-84.9	-176	171.4	170.4	0	112.1	H22 S26 H86 S110	H22-K84 PolarHBondContact CD2-NZ 3.29Å; H22-K84 VanDerWaalsContact CE1-CE 3.45Å; H22-K84 WeakPolarHBondContact CE1-CE 3.44Å; H22-K84 PolarHBondContact CE1-NZ 2.81Å; H22-K84 WeakPolarHBondContact NE2-CE 3.34Å; H22-K84 PolarHBondContact NE2-NZ 2.79Å; H22-K84 PolarHBondContact O-NZ 2.93Å; H22-K84 VanDerWaalsContact O-NZ 3.15Å; S26-K84 WeakPolarHBondContact OG-CE 3.42Å; S26-K84 PolarHBondContact OG-NZ 3.5Å; K84-H86 PolarHBondContact O-N 2.93Å; K84-H86 PolarHBondContact O-ND1 3.46Å; K84-S110 WeakPolarHBondContact CE-OG 3.49Å; K84-S110 WeakPolarHBondContact CG-OG 3.34Å
85	H	75.1	Confident	78.6	Confident	136 Å²	136	81.3 Å²	81.3	63%	0.63	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	19	178.6	-41.4	-58.9	0	0	0	114	G106 E107	H85-G106 PolarHBondContact N-O 2.84Å; H85-E107 IonicContact CE1-OE1 3.35Å; H85-E107 PolarHBondContact CE1-OE1 3.19Å; H85-E107 IonicContact ND1-OE1 2.78Å
86	H	74.1	Confident	77.5	Confident	105 Å²	105	77.5 Å²	77.5	49%	0.486	41%	0.406	S	S	.	.			trans	-99.4	124.6	173.3	-71.9	61	0	0	0	109	L83 K84 G106	L83-H86 HydrophobicContact CB-CB 4.44Å; K84-H86 PolarHBondContact O-N 2.93Å; K84-H86 PolarHBondContact O-ND1 3.46Å; H86-G106 WeakPolarHBondContact O-CA 3.41Å
87	T	77.2	Confident	76.2	Confident	56 Å²	56	77 Å²	77	34%	0.344	39%	0.389	S	S	.	.			trans	-152.8	149.6	-179.2	-171.2	0	0	0	0	110.4	K89 L90 F104	T87-K89 PolarHBondContact OG1-N 2.78Å; T87-L90 HydrophobicContact CG2-CB 4.1Å; T87-F104 WeakPolarHBondContact CG2-O 3.49Å; T87-F104 PolarHBondContact OG1-O 3.36Å
88	S	72.8	Confident	74.8	Confident	102 Å²	102	79.2 Å²	79.2	71%	0.713	40%	0.396	S	S	*	.	S	Bend	trans	-98.5	7.2	171.8	52.3	0	0	0	0	113
89	K	74.8	Confident	73.4	Confident	44 Å²	44	80.4 Å²	80.4	19%	0.191	40%	0.404	C	S	.	.	S	Bend	trans	-115.8	-6.3	-166.5	-55.9	175.8	-175.4	174	0	114.5	N43 D46 T87 G103	N43-K89 PolarHBondContact OD1-NZ 2.69Å; D46-K89 VanDerWaalsContact CB-NZ 3.28Å; D46-K89 IonicContact OD2-NZ 3Å; D46-K89 PolarHBondContact OD2-NZ 3.25Å; T87-K89 PolarHBondContact OG1-N 2.78Å; K89-G103 WeakPolarHBondContact CD-O 3.49Å
90	L	71.1	Confident	72.3	Confident	40 Å²	40	82.3 Å²	82.3	21%	0.209	41%	0.412	C	S	.	.			trans	-141.1	148.1	169.7	-65.3	176.5	0	0	0	107.8	T87 D95 V99 F104	T87-L90 HydrophobicContact CG2-CB 4.1Å; L90-D95 HydrophobicContact CD2-CB 3.51Å; L90-V99 HydrophobicContact CD2-CG2 3.69Å; L90-F104 HydrophobicContact CD1-CB 3.92Å; L90-F104 HydrophobicContact CD1-CD2 4.1Å; L90-F104 HydrophobicContact CD1-CG 4.5Å; L90-F104 HydrophobicContact CD2-CB 4.48Å; L90-F104 HydrophobicContact CG-CB 4.04Å
91	R	68.1	Low	71.5	Confident	241 Å²	241	83.3 Å²	83.3	91%	0.909	41%	0.414	S	S	*	.	S	Bend	trans	-117.8	-42.2	170	-60.8	178.9	-177.8	177.7	1.6	110.7	D95	R91-D95 WeakPolarHBondContact CA-OD2 3.48Å; R91-D95 WeakPolarHBondContact CB-OD2 3.42Å; R91-D95 PolarHBondContact N-OD2 3.05Å
92	D	70.4	Confident	70.6	Confident	90 Å²	90	82.4 Å²	82.4	48%	0.481	41%	0.409	S	S	.	.	S	Bend	trans	-137.2	-174.2	173.5	73.3	73.2	0	0	0	112.3	S94 D95	D92-S94 WeakPolarHBondContact OD1-CA 3.37Å; D92-S94 WeakPolarHBondContact OD1-CB 3.39Å; D92-S94 PolarHBondContact OD1-N 2.79Å; D92-S94 PolarHBondContact OD1-OG 3.41Å; D92-D95 PolarHBondContact N-OD2 2.87Å; D92-D95 VanDerWaalsContact N-OD2 3.09Å
93	F	64.3	Low	69.8	Low	161 Å²	161	82.7 Å²	82.7	71%	0.706	41%	0.412	S	S	*	.	S	Bend	trans	-75.6	-22.3	-174.9	-170	-95.2	0	0	0	113.3	D95 L96	F93-D95 VanDerWaalsContact C-N 3.31Å; F93-D95 PolarHBondContact O-N 2.77Å; F93-L96 HydrophobicContact CD2-CD2 4.21Å; F93-L96 HydrophobicContact CE2-CD2 3.67Å; F93-L96 HydrophobicContact CZ-CD2 3.9Å; F93-L96 WeakPolarHBondContact O-CB 3.37Å; F93-L96 PolarHBondContact O-N 2.96Å; F93-L96 VanDerWaalsContact O-N 3.16Å
94	S	67	Low	68.9	Low	74 Å²	74	80.9 Å²	80.9	52%	0.517	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-69.3	-31.6	179.7	-33.9	0	0	0	0	111.9	D92 L96 I97 H98	D92-S94 WeakPolarHBondContact OD1-CA 3.37Å; D92-S94 WeakPolarHBondContact OD1-CB 3.39Å; D92-S94 PolarHBondContact OD1-N 2.79Å; D92-S94 PolarHBondContact OD1-OG 3.41Å; S94-L96 PolarHBondContact O-N 3.13Å; S94-I97 PolarHBondContact O-N 3.23Å; S94-H98 PolarHBondContact O-ND1 3.19Å
95	D	65.8	Low	68.4	Low	57 Å²	57	82.4 Å²	82.4	31%	0.305	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-58	-27.6	172.6	-66.1	-38.8	0	0	0	111.8	L90 R91 D92 F93 I97 H98 V99	L90-D95 HydrophobicContact CD2-CB 3.51Å; R91-D95 WeakPolarHBondContact CA-OD2 3.48Å; R91-D95 WeakPolarHBondContact CB-OD2 3.42Å; R91-D95 PolarHBondContact N-OD2 3.05Å; D92-D95 PolarHBondContact N-OD2 2.87Å; D92-D95 VanDerWaalsContact N-OD2 3.09Å; F93-D95 VanDerWaalsContact C-N 3.31Å; F93-D95 PolarHBondContact O-N 2.77Å; D95-I97 PolarHBondContact O-N 2.92Å; D95-I97 VanDerWaalsContact O-N 3.15Å; D95-H98 CarbonylContact O-C 3.55Å; D95-H98 PolarHBondContact O-N 3.46Å; D95-V99 VanDerWaalsContact O-CG2 3.25Å; D95-V99 WeakPolarHBondContact O-CG2 3.25Å; D95-V99 PolarHBondContact O-N 3.06Å
96	L	68.2	Low	68.3	Low	38 Å²	38	76.8 Å²	76.8	20%	0.199	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.2	-27	-176.9	-169.8	62	0	0	0	113.3	F93 S94 H98 V99 F104 N333	F93-L96 HydrophobicContact CD2-CD2 4.21Å; F93-L96 HydrophobicContact CE2-CD2 3.67Å; F93-L96 HydrophobicContact CZ-CD2 3.9Å; F93-L96 WeakPolarHBondContact O-CB 3.37Å; F93-L96 PolarHBondContact O-N 2.96Å; F93-L96 VanDerWaalsContact O-N 3.16Å; S94-L96 PolarHBondContact O-N 3.13Å; L96-H98 VanDerWaalsContact C-N 3.27Å; L96-V99 HydrophobicContact CD1-CG2 4.29Å; L96-F104 HydrophobicContact CD1-CD2 3.84Å; L96-F104 HydrophobicContact CD1-CE2 3.67Å; L96-F104 HydrophobicContact CD1-CZ 4.38Å; L96-N333 HydrophobicContact CD2-CB 4.3Å
97	I	61.4	Low	68.6	Low	88 Å²	88	73.8 Å²	73.8	45%	0.451	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-76.5	-17.1	178.9	-57	170.9	0	0	0	111.5	S94 D95 S327 D328	S94-I97 PolarHBondContact O-N 3.23Å; D95-I97 PolarHBondContact O-N 2.92Å; D95-I97 VanDerWaalsContact O-N 3.15Å; I97-S327 VanDerWaalsContact O-CB 3.26Å; I97-S327 WeakPolarHBondContact O-CB 3.35Å; I97-S327 PolarHBondContact O-OG 3.4Å; I97-D328 HydrophobicContact CG2-CB 4.45Å
98	H	61.6	Low	69	Low	125 Å²	125	71.9 Å²	71.9	58%	0.579	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-122.2	22	-171.1	-55.5	94.5	0	0	0	112.6	S94 D95 L96 E100	S94-H98 PolarHBondContact O-ND1 3.19Å; D95-H98 CarbonylContact O-C 3.55Å; D95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.27Å; H98-E100 PolarHBondContact O-N 2.96Å
99	V	63	Low	69.8	Low	30 Å²	30	68.2 Å²	68.2	18%	0.182	33%	0.334	C	S	.	.			trans	-76.5	91.3	-174.7	-175	0	0	0	0	112.1	L90 D95 L96 T101 F104	L90-V99 HydrophobicContact CD2-CG2 3.69Å; D95-V99 VanDerWaalsContact O-CG2 3.25Å; D95-V99 WeakPolarHBondContact O-CG2 3.25Å; D95-V99 PolarHBondContact O-N 3.06Å; L96-V99 HydrophobicContact CD1-CG2 4.29Å; V99-T101 VanDerWaalsContact C-N 3.26Å; V99-T101 WeakPolarHBondContact CG1-O 3.24Å; V99-T101 PolarHBondContact O-N 2.82Å; V99-F104 HydrophobicContact CG1-CB 3.92Å; V99-F104 HydrophobicContact CG1-CD1 3.87Å; V99-F104 HydrophobicContact CG1-CG 4.15Å
100	E	64.1	Low	70.5	Confident	187 Å²	187	66.2 Å²	66.2	87%	0.874	33%	0.325	S	S	*	.			trans	-71.6	-19.5	168.9	-59.9	-172.2	152.7	0	0	112.9	H98	H98-E100 PolarHBondContact O-N 2.96Å
101	T	67.8	Low	71.5	Confident	43 Å²	43	64.3 Å²	64.3	26%	0.264	32%	0.316	S	S	.	.	S	Bend	trans	-83.9	149.7	-175.9	55.9	0	0	0	0	113.8	D46 V99 G103 R293	D46-T101 WeakPolarHBondContact OD1-CA 3.13Å; D46-T101 WeakPolarHBondContact OD1-CB 3.45Å; V99-T101 VanDerWaalsContact C-N 3.26Å; V99-T101 WeakPolarHBondContact CG1-O 3.24Å; V99-T101 PolarHBondContact O-N 2.82Å; T101-G103 PolarHBondContact OG1-O 3.5Å; T101-R293 PolarHBondContact O-NH2 3.38Å
102	F	69.2	Low	72.6	Confident	25 Å²	25	52.9 Å²	52.9	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	-71.9	-42.1	-176.5	-76.2	-89.2	0	0	0	112.9	E42 I45 D46 Y189 R293 K338	E42-F102 HydrophobicContact CB-CB 3.55Å; E42-F102 HydrophobicContact CB-CG 4.32Å; E42-F102 HydrophobicContact CG-CB 3.56Å; E42-F102 HydrophobicContact CG-CD1 3.91Å; E42-F102 HydrophobicContact CG-CG 3.97Å; I45-F102 HydrophobicContact CB-CD2 4.49Å; I45-F102 HydrophobicContact CG2-CD2 3.95Å; I45-F102 HydrophobicContact CG2-CE2 3.7Å; D46-F102 PolarHBondContact OD1-N 2.79Å; D46-F102 PolarHBondContact OD2-N 2.79Å; F102-Y189 AromaticContact CD1-CE1 3.93Å; F102-Y189 HydrophobicContact CD1-CE1 3.93Å; F102-Y189 HydrophobicContact CE1-CD1 4.41Å; F102-Y189 AromaticContact CE1-CE1 3.76Å; F102-Y189 HydrophobicContact CE1-CE1 3.76Å; F102-R293 PolarHBondContact O-NH1 2.88Å; F102-K338 WeakPolarHBondContact O-CD 3.43Å; F102-K338 PolarHBondContact O-NZ 3.24Å
103	G	68.8	Low	73.7	Confident	7 Å²	7	48.6 Å²	48.6	7%	0.072	25%	0.25	C	C	.	.			trans	-100.4	141.7	171.5	0	0	0	0	0	112.2	D46 K89 T101	D46-G103 PolarHBondContact OD2-N 3.16Å; K89-G103 WeakPolarHBondContact CD-O 3.49Å; T101-G103 PolarHBondContact OG1-O 3.5Å
104	F	64.6	Low	74.9	Confident	8 Å²	8	41 Å²	41	4%	0.035	22%	0.216	C	C	.	.			trans	-140.4	-36.6	175.5	54	-91.3	0	0	0	114.4	T87 L90 L96 V99 G106 V332 K338	T87-F104 WeakPolarHBondContact CG2-O 3.49Å; T87-F104 PolarHBondContact OG1-O 3.36Å; L90-F104 HydrophobicContact CD1-CB 3.92Å; L90-F104 HydrophobicContact CD1-CD2 4.1Å; L90-F104 HydrophobicContact CD1-CG 4.5Å; L90-F104 HydrophobicContact CD2-CB 4.48Å; L90-F104 HydrophobicContact CG-CB 4.04Å; L96-F104 HydrophobicContact CD1-CD2 3.84Å; L96-F104 HydrophobicContact CD1-CE2 3.67Å; L96-F104 HydrophobicContact CD1-CZ 4.38Å; V99-F104 HydrophobicContact CG1-CB 3.92Å; V99-F104 HydrophobicContact CG1-CD1 3.87Å; V99-F104 HydrophobicContact CG1-CG 4.15Å; F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 3.24Å; F104-G106 VanDerWaalsContact O-N 3.1Å; F104-V332 HydrophobicContact CE1-CG1 4.14Å; F104-V332 HydrophobicContact CZ-CG1 4.5Å; F104-K338 HydrophobicContact CE1-CD 4.08Å; F104-K338 HydrophobicContact CE1-CG 4.38Å
105	R	67.4	Low	76.1	Confident	73 Å²	73	37.5 Å²	37.5	28%	0.275	19%	0.192	S	C	.	.	S	Bend	trans	-63.6	-15.4	-170.6	-62.8	-172.7	174.3	-163.9	-1.2	117.8	E107 N333	R105-E107 VanDerWaalsContact C-N 3.33Å; R105-E107 HydrophobicContact CB-CG 4.39Å; R105-E107 PolarHBondContact O-N 3.17Å; R105-N333 PolarHBondContact NE-OD1 3.2Å; R105-N333 PolarHBondContact NH2-O 3.22Å; R105-N333 PolarHBondContact NH2-OD1 3.32Å
106	G	73.3	Confident	77.5	Confident	19 Å²	19	34.8 Å²	34.8	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	66.8	28.6	-177.9	0	0	0	0	0	115	H85 H86 F104	H85-G106 PolarHBondContact N-O 2.84Å; H86-G106 WeakPolarHBondContact O-CA 3.41Å; F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 3.24Å; F104-G106 VanDerWaalsContact O-N 3.1Å
107	E	80.6	Confident	78.8	Confident	42 Å²	42	36.1 Å²	36.1	20%	0.196	19%	0.185	C	C	.	.			trans	-118.4	-20.9	-174.4	-69.9	178.6	147.4	0	0	114.3	V29 H85 R105 S110 S111	V29-E107 HydrophobicContact CG1-CB 4.47Å; V29-E107 HydrophobicContact CG2-CB 4.43Å; H85-E107 IonicContact CE1-OE1 3.35Å; H85-E107 PolarHBondContact CE1-OE1 3.19Å; H85-E107 IonicContact ND1-OE1 2.78Å; R105-E107 VanDerWaalsContact C-N 3.33Å; R105-E107 HydrophobicContact CB-CG 4.39Å; R105-E107 PolarHBondContact O-N 3.17Å; E107-S110 PolarHBondContact O-N 3.31Å; E107-S110 PolarHBondContact O-OG 3.41Å; E107-S111 VanDerWaalsContact O-CB 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.96Å; E107-S111 PolarHBondContact O-OG 2.8Å
108	A	84.9	Confident	80.4	Confident	15 Å²	15	32.2 Å²	32.2	12%	0.124	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-56.6	-166.6	0	0	0	0	0	113.8	E39 S111 L112	E39-A108 HydrophobicContact CB-CB 3.97Å; E39-A108 HydrophobicContact CG-CB 4.32Å; A108-S111 WeakPolarHBondContact O-CB 3.25Å; A108-S111 PolarHBondContact O-N 3.39Å; A108-S111 VanDerWaalsContact O-N 3.15Å; A108-L112 WeakPolarHBondContact O-CG 3.3Å; A108-L112 PolarHBondContact O-N 2.78Å
109	L	89.6	Confident	82.1	Confident	26 Å²	26	27.1 Å²	27.1	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-43.3	-178.8	-66.1	177.2	0	0	0	111.7	L40 L81 S111 L112 C113 L118 V155	L40-L109 HydrophobicContact CD2-CD2 3.8Å; L81-L109 HydrophobicContact CD1-CD1 3.78Å; L81-L109 HydrophobicContact CG-CD1 3.89Å; L81-L109 WeakPolarHBondContact O-CD1 3.45Å; L109-S111 PolarHBondContact O-N 2.82Å; L109-L112 HydrophobicContact CD2-CD1 4.44Å; L109-L112 PolarHBondContact O-N 2.69Å; L109-L112 VanDerWaalsContact O-N 3.08Å; L109-C113 PolarHBondContact O-N 2.72Å; L109-C113 PolarHBondContact O-SG 3.21Å; L109-C113 VanDerWaalsContact O-SG 3.37Å; L109-L118 HydrophobicContact CD2-CD1 4.22Å; L109-V155 HydrophobicContact CD2-CG1 4.33Å
110	S	89.8	Confident	83.7	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-55.9	-36.7	173.4	80.7	0	0	0	0	112.9	A82 K84 E107 A114	A82-S110 WeakPolarHBondContact O-CA 3.49Å; A82-S110 WeakPolarHBondContact O-CB 3.39Å; K84-S110 WeakPolarHBondContact CE-OG 3.49Å; K84-S110 WeakPolarHBondContact CG-OG 3.34Å; E107-S110 PolarHBondContact O-N 3.31Å; E107-S110 PolarHBondContact O-OG 3.41Å; S110-A114 PolarHBondContact O-N 2.88Å
111	S	90.6	Very high	85.3	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-74.3	-33.2	179.9	-59.8	0	0	0	0	111.9	E107 A108 L109 L115	E107-S111 VanDerWaalsContact O-CB 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.96Å; E107-S111 PolarHBondContact O-OG 2.8Å; A108-S111 WeakPolarHBondContact O-CB 3.25Å; A108-S111 PolarHBondContact O-N 3.39Å; A108-S111 VanDerWaalsContact O-N 3.15Å; L109-S111 PolarHBondContact O-N 2.82Å; S111-L115 WeakPolarHBondContact O-CD1 3.4Å; S111-L115 VanDerWaalsContact O-CG 3.22Å; S111-L115 WeakPolarHBondContact O-CG 3.28Å
112	L	92.5	Very high	86.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.7	-40.1	174.3	-66.7	169.1	0	0	0	111.8	V30 A36 L40 A108 L109 A114 L115 S116 L118 L157 L160	V30-L112 HydrophobicContact CB-CD2 4.41Å; V30-L112 HydrophobicContact CG1-CD2 3.87Å; V30-L112 HydrophobicContact CG2-CD2 3.83Å; V30-L112 HydrophobicContact CG2-CG 4.12Å; A36-L112 HydrophobicContact CB-CD2 3.88Å; L40-L112 HydrophobicContact CD2-CD1 3.94Å; L40-L112 HydrophobicContact CG-CD1 4.2Å; A108-L112 WeakPolarHBondContact O-CG 3.3Å; A108-L112 PolarHBondContact O-N 2.78Å; L109-L112 HydrophobicContact CD2-CD1 4.44Å; L109-L112 PolarHBondContact O-N 2.69Å; L109-L112 VanDerWaalsContact O-N 3.08Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 2.78Å; L112-L115 CarbonylContact O-C 3.5Å; L112-L115 PolarHBondContact O-N 3.04Å; L112-S116 PolarHBondContact O-N 3.11Å; L112-S116 PolarHBondContact O-OG 3.44Å; L112-L118 HydrophobicContact CB-CD1 3.66Å; L112-L157 HydrophobicContact CB-CD2 4.05Å; L112-L157 HydrophobicContact CD1-CD1 4.18Å; L112-L157 HydrophobicContact CD1-CD2 4.3Å; L112-L157 HydrophobicContact CD2-CD1 3.86Å; L112-L157 HydrophobicContact CG-CD1 4.46Å; L112-L160 HydrophobicContact CD2-CD1 4.42Å
113	C	92.4	Very high	88	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-56.2	-41	173	-66.4	0	0	0	0	112.7	L109 L115 S116 D136 H137	L109-C113 PolarHBondContact O-N 2.72Å; L109-C113 PolarHBondContact O-SG 3.21Å; L109-C113 VanDerWaalsContact O-SG 3.37Å; C113-L115 PolarHBondContact O-N 3.12Å; C113-S116 VanDerWaalsContact O-O 3.06Å; C113-D136 WeakPolarHBondContact CB-O 3.44Å; C113-H137 WeakPolarHBondContact O-CA 3.47Å; C113-H137 PolarHBondContact O-ND1 3.36Å
114	A	90.7	Very high	89.3	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.2	178.5	0	0	0	0	0	114.5	S110 L112 H137 T163	S110-A114 PolarHBondContact O-N 2.88Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 2.78Å; A114-H137 WeakPolarHBondContact CA-O 3.36Å; A114-T163 PolarHBondContact O-OG1 3.26Å
115	L	91.9	Very high	90.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-10	-171.3	-64.3	175.9	0	0	0	113.9	V30 S111 L112 C113 F161 L164	V30-L115 HydrophobicContact CB-CD1 3.96Å; S111-L115 WeakPolarHBondContact O-CD1 3.4Å; S111-L115 VanDerWaalsContact O-CG 3.22Å; S111-L115 WeakPolarHBondContact O-CG 3.28Å; L112-L115 CarbonylContact O-C 3.5Å; L112-L115 PolarHBondContact O-N 3.04Å; C113-L115 PolarHBondContact O-N 3.12Å; L115-F161 HydrophobicContact CB-CD1 4.36Å; L115-F161 HydrophobicContact CD1-CD1 4.22Å; L115-F161 HydrophobicContact CD1-CE1 4.14Å; L115-F161 HydrophobicContact CD2-CD1 4.44Å; L115-F161 VanDerWaalsContact O-CA 3.25Å; L115-F161 WeakPolarHBondContact O-CA 3.15Å; L115-F161 PolarHBondContact O-N 3.04Å; L115-L164 HydrophobicContact CD2-CD1 3.55Å; L115-L164 HydrophobicContact CD2-CG 4.13Å
116	S	94.4	Very high	91.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-160.2	158.1	-175.9	51.4	0	0	0	0	110.4	L112 C113 L118 Q158	L112-S116 PolarHBondContact O-N 3.11Å; L112-S116 PolarHBondContact O-OG 3.44Å; C113-S116 VanDerWaalsContact O-O 3.06Å; S116-L118 PolarHBondContact O-N 3.1Å; S116-Q158 VanDerWaalsContact CB-O 3.28Å; S116-Q158 WeakPolarHBondContact CB-O 3.48Å
117	D	95.3	Very high	92.5	Very high	66 Å²	66	24.3 Å²	24.3	35%	0.353	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	112.8	169.3	-61	-49.1	0	0	0	108.7	H137 L157 Q158 Y162	D117-H137 IonicContact OD1-CE1 2.94Å; D117-H137 PolarHBondContact OD1-CE1 2.81Å; D117-L157 CarbonylContact O-C 3.52Å; D117-L157 WeakPolarHBondContact O-CA 3.38Å; D117-Q158 HydrophobicContact CB-CB 4.28Å; D117-Q158 PolarHBondContact N-O 2.88Å; D117-Q158 PolarHBondContact O-N 3.34Å; D117-Y162 PolarHBondContact OD1-OH 2.82Å; D117-Y162 VanDerWaalsContact OD1-OH 3.11Å
118	L	95.6	Very high	92.8	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.9	-174.4	-170.5	149.6	0	0	0	111.2	L109 L112 S116 V120 F135 V155 L157	L109-L118 HydrophobicContact CD2-CD1 4.22Å; L112-L118 HydrophobicContact CB-CD1 3.66Å; S116-L118 PolarHBondContact O-N 3.1Å; L118-V120 HydrophobicContact CD2-CG2 3.71Å; L118-F135 HydrophobicContact CD2-CD2 3.66Å; L118-F135 HydrophobicContact CD2-CE2 4.24Å; L118-F135 HydrophobicContact CD2-CG 4.43Å; L118-F135 PolarHBondContact O-N 3.02Å; L118-V155 HydrophobicContact CD1-CG1 4.4Å; L118-V155 HydrophobicContact CG-CG1 4.36Å; L118-L157 HydrophobicContact CB-CD2 4.17Å; L118-L157 HydrophobicContact CD1-CD2 3.54Å; L118-L157 HydrophobicContact CG-CD2 3.77Å
119	S	96.8	Very high	93.2	Very high	18 Å²	18	35.7 Å²	35.7	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.2	170.9	56.9	0	0	0	0	110.9	L133 L134 T156	S119-L133 WeakPolarHBondContact CA-O 3.38Å; S119-L134 VanDerWaalsContact CB-CD2 3.46Å; S119-T156 PolarHBondContact N-O 2.94Å; S119-T156 PolarHBondContact O-N 2.84Å; S119-T156 PolarHBondContact OG-O 2.84Å
120	V	97.6	Very high	93.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.4	178.1	-176.7	0	0	0	0	108.7	L81 L118 T122 K132 L133 F135 T153 T154 V155	L81-V120 HydrophobicContact CD2-CG1 4.23Å; L81-V120 HydrophobicContact CD2-CG2 4.23Å; L118-V120 HydrophobicContact CD2-CG2 3.71Å; V120-T122 HydrophobicContact CG1-CG2 4.45Å; V120-K132 CarbonylContact O-C 3.6Å; V120-K132 WeakPolarHBondContact O-CA 3.44Å; V120-L133 HydrophobicContact CB-CB 4.33Å; V120-L133 HydrophobicContact CB-CD1 4.46Å; V120-L133 PolarHBondContact N-O 2.86Å; V120-L133 PolarHBondContact O-N 3.18Å; V120-F135 HydrophobicContact CB-CE2 4.23Å; V120-F135 HydrophobicContact CG2-CD2 4.46Å; V120-F135 HydrophobicContact CG2-CE2 3.84Å; V120-T153 HydrophobicContact CG1-CG2 3.69Å; V120-T154 CarbonylContact C-O 3.46Å; V120-T154 WeakPolarHBondContact CA-O 3.37Å; V120-V155 HydrophobicContact CG2-CG1 4.39Å; V120-V155 HydrophobicContact CG2-CG2 4.32Å
121	I	97.5	Very high	93.8	Very high	38 Å²	38	35.2 Å²	35.2	20%	0.195	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.3	170	-38.5	-179.6	0	0	0	106.8	T131 K132 C147 R149 T154	I121-T131 WeakPolarHBondContact CA-O 3.34Å; I121-K132 HydrophobicContact CG1-CB 4.39Å; I121-K132 HydrophobicContact CG1-CG 4.19Å; I121-K132 HydrophobicContact CG2-CB 4.26Å; I121-C147 HydrophobicContact CG2-CB 3.85Å; I121-R149 VanDerWaalsContact O-CZ 3.26Å; I121-R149 PolarHBondContact O-NE 3.31Å; I121-R149 VanDerWaalsContact O-NE 3.14Å; I121-R149 PolarHBondContact O-NH2 3.37Å; I121-T154 PolarHBondContact N-O 2.85Å; I121-T154 PolarHBondContact O-N 3.15Å
122	T	97	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.9	-169.1	-168.6	0	0	0	0	111.5	V73 F78 V120 G130 T131 L133 G152 T153	V73-T122 HydrophobicContact CB-CG2 4.05Å; V73-T122 PolarHBondContact N-OG1 3.37Å; F78-T122 HydrophobicContact CD1-CG2 4.47Å; F78-T122 HydrophobicContact CE1-CG2 3.63Å; F78-T122 HydrophobicContact CZ-CG2 4.16Å; V120-T122 HydrophobicContact CG1-CG2 4.45Å; T122-G130 CarbonylContact O-C 3.59Å; T122-G130 VanDerWaalsContact O-CA 3.25Å; T122-G130 WeakPolarHBondContact O-CA 3.42Å; T122-T131 PolarHBondContact N-O 3.12Å; T122-T131 PolarHBondContact O-N 3.17Å; T122-L133 HydrophobicContact CG2-CD1 4.37Å; T122-G152 PolarHBondContact OG1-O 2.6Å; T122-T153 PolarHBondContact OG1-OG1 3.38Å
123	C	96.3	Very high	94.3	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	118	176.4	-168.9	0	0	0	0	107.7	R149 G152	C123-R149 HydrophobicContact CB-CG 3.78Å; C123-G152 PolarHBondContact N-O 2.99Å; C123-G152 PolarHBondContact O-N 2.81Å
124	H	95.6	Very high	94.4	Very high	19 Å²	19	41.1 Å²	41.1	9%	0.088	22%	0.216	C	C	.	.			trans	-80	160.4	177.6	-162.5	-117.8	0	0	0	111.2	R71 E74 S126 S127	R71-H124 WeakPolarHBondContact O-CA 3.37Å; R71-H124 PolarHBondContact O-CD2 2.74Å; E74-H124 HydrophobicContact CG-CB 4.44Å; E74-H124 VanDerWaalsContact CG-CE1 3.42Å; E74-H124 WeakPolarHBondContact CG-CE1 3.45Å; E74-H124 WeakPolarHBondContact CG-ND1 3.34Å; E74-H124 IonicContact OE1-CE1 2.76Å; E74-H124 PolarHBondContact OE1-CE1 2.94Å; E74-H124 IonicContact OE1-ND1 3.71Å; H124-S126 PolarHBondContact ND1-OG 3.24Å; H124-S126 PolarHBondContact O-N 2.95Å; H124-S127 WeakPolarHBondContact O-CB 3.37Å; H124-S127 PolarHBondContact O-N 3.13Å
125	E	90.4	Very high	94.6	Very high	140 Å²	140	42 Å²	42	65%	0.654	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26	173.9	53.3	-172.1	-141.6	0	0	114.3	R71	R71-E125 PolarHBondContact O-N 2.93Å
126	S	91.6	Very high	94.6	Very high	89 Å²	89	44 Å²	44	62%	0.622	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.1	173.3	58	0	0	0	0	114.3	H124	H124-S126 PolarHBondContact ND1-OG 3.24Å; H124-S126 PolarHBondContact O-N 2.95Å
127	S	91.3	Very high	94.4	Very high	36 Å²	36	47.5 Å²	47.5	25%	0.252	25%	0.246	S	C	.	.			trans	-96.5	127.5	-177.1	-56.3	0	0	0	0	111.9	H124	H124-S127 WeakPolarHBondContact O-CB 3.37Å; H124-S127 PolarHBondContact O-N 3.13Å
128	Q	87.3	Confident	94	Very high	197 Å²	197	50 Å²	50	92%	0.921	25%	0.254	S	S	*	.	S	Bend	trans	-77.3	-23.4	176.6	-64.3	-171.4	7.1	0	0	113.7
129	I	92.6	Very high	93.6	Very high	100 Å²	100	49.7 Å²	49.7	51%	0.513	25%	0.252	S	S	.	.	S	Bend	trans	-135.9	138.1	-179.5	-51.7	177.9	0	0	0	107.1	P146	I129-P146 HydrophobicContact CG2-CB 4.36Å
130	G	94.6	Very high	93.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.01	27%	0.267	C	S	.	.			trans	-76.2	164.7	174.3	0	0	0	0	0	113.1	T122 C147	T122-G130 CarbonylContact O-C 3.59Å; T122-G130 VanDerWaalsContact O-CA 3.25Å; T122-G130 WeakPolarHBondContact O-CA 3.42Å; G130-C147 CarbonylContact C-O 3.52Å; G130-C147 VanDerWaalsContact C-O 3.27Å; G130-C147 WeakPolarHBondContact CA-O 3.27Å; G130-C147 CarbonylContact O-C 3.59Å; G130-C147 PolarHBondContact O-N 3.18Å; G130-C147 VanDerWaalsContact O-O 3.14Å
131	T	96.8	Very high	93	Very high	16 Å²	16	55.3 Å²	55.3	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.6	-173.6	-57.6	0	0	0	0	110.2	F78 I121 T122 L133 Q144	F78-T131 HydrophobicContact CD2-CG2 4.42Å; F78-T131 HydrophobicContact CE2-CG2 3.72Å; F78-T131 HydrophobicContact CZ-CG2 4.2Å; I121-T131 WeakPolarHBondContact CA-O 3.34Å; T122-T131 PolarHBondContact N-O 3.12Å; T122-T131 PolarHBondContact O-N 3.17Å; T131-L133 HydrophobicContact CG2-CD2 3.68Å; T131-L133 HydrophobicContact CG2-CG 4.39Å; T131-Q144 HydrophobicContact CG2-CG 3.37Å
132	K	97.4	Very high	92.9	Very high	74 Å²	74	58.4 Å²	58.4	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.8	167.9	177.9	173.2	178.5	-174.4	0	109.8	V120 I121 Q144 S145 C147	V120-K132 CarbonylContact O-C 3.6Å; V120-K132 WeakPolarHBondContact O-CA 3.44Å; I121-K132 HydrophobicContact CG1-CB 4.39Å; I121-K132 HydrophobicContact CG1-CG 4.19Å; I121-K132 HydrophobicContact CG2-CB 4.26Å; K132-Q144 CarbonylContact O-C 3.49Å; K132-Q144 WeakPolarHBondContact O-CA 3.49Å; K132-S145 PolarHBondContact N-O 3.48Å; K132-S145 PolarHBondContact O-N 3.05Å; K132-C147 HydrophobicContact CB-CB 3.79Å
133	L	96.8	Very high	92.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.9	-178.7	-52.6	175	0	0	0	109.2	F78 L81 S119 V120 T122 T131 F135 L141 Q143 Q144	F78-L133 HydrophobicContact CB-CD1 4.08Å; F78-L133 HydrophobicContact CB-CD2 4.2Å; F78-L133 HydrophobicContact CD1-CD1 3.67Å; F78-L133 HydrophobicContact CD1-CD2 4.49Å; F78-L133 HydrophobicContact CD2-CD1 4.37Å; F78-L133 HydrophobicContact CD2-CD2 3.71Å; F78-L133 HydrophobicContact CE1-CD1 4.16Å; F78-L133 HydrophobicContact CE2-CD2 4.16Å; F78-L133 HydrophobicContact CG-CD1 3.78Å; F78-L133 HydrophobicContact CG-CD2 3.9Å; F78-L133 HydrophobicContact CG-CG 4.49Å; L81-L133 HydrophobicContact CD2-CD1 4.22Å; S119-L133 WeakPolarHBondContact CA-O 3.38Å; V120-L133 HydrophobicContact CB-CB 4.33Å; V120-L133 HydrophobicContact CB-CD1 4.46Å; V120-L133 PolarHBondContact N-O 2.86Å; V120-L133 PolarHBondContact O-N 3.18Å; T122-L133 HydrophobicContact CG2-CD1 4.37Å; T131-L133 HydrophobicContact CG2-CD2 3.68Å; T131-L133 HydrophobicContact CG2-CG 4.39Å; L133-F135 HydrophobicContact CB-CD2 4.44Å; L133-F135 HydrophobicContact CB-CE2 3.58Å; L133-F135 HydrophobicContact CB-CZ 3.9Å; L133-F135 HydrophobicContact CD1-CE2 4.3Å; L133-F135 HydrophobicContact CD1-CZ 4.01Å; L133-L141 HydrophobicContact CB-CD1 3.74Å; L133-L141 HydrophobicContact CD2-CD1 3.74Å; L133-L141 HydrophobicContact CD2-CD2 4.2Å; L133-L141 HydrophobicContact CG-CD1 4.27Å; L133-Q143 WeakPolarHBondContact CA-O 3.4Å; L133-Q144 HydrophobicContact CD2-CB 4.39Å; L133-Q144 HydrophobicContact CD2-CG 3.98Å
134	L	95.9	Very high	92.7	Very high	52 Å²	52	67.2 Å²	67.2	27%	0.272	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.1	170	-59.8	-174.2	0	0	0	109.5	S119 V142 Q143	S119-L134 VanDerWaalsContact CB-CD2 3.46Å; L134-V142 PolarHBondContact O-N 3.27Å; L134-Q143 HydrophobicContact CB-CB 4.16Å; L134-Q143 HydrophobicContact CD1-CB 4.16Å; L134-Q143 HydrophobicContact CG-CB 4.29Å; L134-Q143 PolarHBondContact N-O 2.88Å; L134-Q143 PolarHBondContact O-N 2.91Å
135	F	94.5	Very high	92.7	Very high	19 Å²	19	67.9 Å²	67.9	8%	0.083	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.8	-175.9	-64.3	-88.3	0	0	0	112.6	L81 A82 L118 V120 L133 H140 L141	L81-F135 HydrophobicContact CB-CZ 4.31Å; L81-F135 HydrophobicContact CD2-CZ 4.19Å; A82-F135 HydrophobicContact CB-CD1 3.62Å; A82-F135 HydrophobicContact CB-CE1 3.84Å; A82-F135 HydrophobicContact CB-CG 4.03Å; A82-F135 HydrophobicContact CB-CZ 4.42Å; L118-F135 HydrophobicContact CD2-CD2 3.66Å; L118-F135 HydrophobicContact CD2-CE2 4.24Å; L118-F135 HydrophobicContact CD2-CG 4.43Å; L118-F135 PolarHBondContact O-N 3.02Å; V120-F135 HydrophobicContact CB-CE2 4.23Å; V120-F135 HydrophobicContact CG2-CD2 4.46Å; V120-F135 HydrophobicContact CG2-CE2 3.84Å; L133-F135 HydrophobicContact CB-CD2 4.44Å; L133-F135 HydrophobicContact CB-CE2 3.58Å; L133-F135 HydrophobicContact CB-CZ 3.9Å; L133-F135 HydrophobicContact CD1-CE2 4.3Å; L133-F135 HydrophobicContact CD1-CZ 4.01Å; F135-H140 CarbonylContact C-O 3.54Å; F135-H140 VanDerWaalsContact CA-O 3.23Å; F135-H140 WeakPolarHBondContact CA-O 3.31Å; F135-L141 HydrophobicContact CD1-CB 4.45Å; F135-L141 HydrophobicContact CE1-CB 4.21Å; F135-L141 HydrophobicContact CE1-CD1 4.17Å; F135-L141 HydrophobicContact CZ-CD1 4.24Å
136	D	92.3	Very high	93	Very high	41 Å²	41	66.5 Å²	66.5	22%	0.219	35%	0.348	C	S	.	.			trans	-80.3	169.4	169.5	84.5	-10.3	0	0	0	111.8	C113 K138 G139 H140 V142	C113-D136 WeakPolarHBondContact CB-O 3.44Å; D136-K138 PolarHBondContact O-N 2.62Å; D136-K138 WeakPolarHBondContact OD1-CA 3.4Å; D136-K138 VanDerWaalsContact OD1-CB 3.32Å; D136-K138 WeakPolarHBondContact OD1-CB 3.34Å; D136-K138 PolarHBondContact OD1-N 3.39Å; D136-G139 PolarHBondContact O-N 3.22Å; D136-G139 PolarHBondContact OD1-N 3.39Å; D136-H140 PolarHBondContact N-O 3.47Å; D136-H140 IonicContact OD1-CG 3.73Å; D136-H140 PolarHBondContact OD1-N 3.03Å; D136-H140 IonicContact OD1-ND1 3.25Å; D136-H140 PolarHBondContact OD1-ND1 2.91Å; D136-H140 IonicContact OD2-CE1 3.91Å; D136-H140 IonicContact OD2-CG 3.5Å; D136-H140 IonicContact OD2-ND1 2.68Å; D136-H140 PolarHBondContact OD2-ND1 3.31Å; D136-V142 HydrophobicContact CB-CG2 3.69Å
137	H	89.7	Confident	93.1	Very high	74 Å²	74	64 Å²	64	34%	0.343	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	1	177.5	-56.3	-49.6	0	0	0	115.4	C113 A114 D117 Y162	C113-H137 WeakPolarHBondContact O-CA 3.47Å; C113-H137 PolarHBondContact O-ND1 3.36Å; A114-H137 WeakPolarHBondContact CA-O 3.36Å; D117-H137 IonicContact OD1-CE1 2.94Å; D117-H137 PolarHBondContact OD1-CE1 2.81Å; H137-Y162 AromaticContact CE1-CZ 3.98Å; H137-Y162 PolarHBondContact CE1-OH 2.79Å; H137-Y162 PolarHBondContact NE2-OH 2.88Å
138	K	85.9	Confident	93.1	Very high	119 Å²	119	67.9 Å²	67.9	52%	0.517	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-17.7	173.8	-55.1	170.4	-172.7	163.6	0	111.6	D136 H140	D136-K138 PolarHBondContact O-N 2.62Å; D136-K138 WeakPolarHBondContact OD1-CA 3.4Å; D136-K138 VanDerWaalsContact OD1-CB 3.32Å; D136-K138 WeakPolarHBondContact OD1-CB 3.34Å; D136-K138 PolarHBondContact OD1-N 3.39Å; K138-H140 VanDerWaalsContact CB-CE1 3.49Å; K138-H140 WeakPolarHBondContact CB-CE1 3.47Å
139	G	86.8	Confident	93.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	108.5	4.1	-178.8	0	0	0	0	0	115.1	A82 D136	A82-G139 WeakPolarHBondContact CB-O 3.14Å; A82-G139 VanDerWaalsContact O-CA 3.28Å; A82-G139 WeakPolarHBondContact O-CA 3.36Å; D136-G139 PolarHBondContact O-N 3.22Å; D136-G139 PolarHBondContact OD1-N 3.39Å
140	H	90.1	Very high	93.4	Very high	93 Å²	93	64.8 Å²	64.8	43%	0.431	34%	0.336	S	S	.	.			trans	-80.1	145.9	179.6	-47.3	109.4	0	0	0	111.6	F135 D136 K138 V142	F135-H140 CarbonylContact C-O 3.54Å; F135-H140 VanDerWaalsContact CA-O 3.23Å; F135-H140 WeakPolarHBondContact CA-O 3.31Å; D136-H140 PolarHBondContact N-O 3.47Å; D136-H140 IonicContact OD1-CG 3.73Å; D136-H140 PolarHBondContact OD1-N 3.03Å; D136-H140 IonicContact OD1-ND1 3.25Å; D136-H140 PolarHBondContact OD1-ND1 2.91Å; D136-H140 IonicContact OD2-CE1 3.91Å; D136-H140 IonicContact OD2-CG 3.5Å; D136-H140 IonicContact OD2-ND1 2.68Å; D136-H140 PolarHBondContact OD2-ND1 3.31Å; K138-H140 VanDerWaalsContact CB-CE1 3.49Å; K138-H140 WeakPolarHBondContact CB-CE1 3.47Å; H140-V142 PolarHBondContact O-N 2.91Å
141	L	93.4	Very high	93.5	Very high	45 Å²	45	69 Å²	69	24%	0.236	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.3	172.1	-177.1	61.1	0	0	0	110.3	F78 L133 F135 Q144	F78-L141 HydrophobicContact CB-CD2 4.22Å; L133-L141 HydrophobicContact CB-CD1 3.74Å; L133-L141 HydrophobicContact CD2-CD1 3.74Å; L133-L141 HydrophobicContact CD2-CD2 4.2Å; L133-L141 HydrophobicContact CG-CD1 4.27Å; F135-L141 HydrophobicContact CD1-CB 4.45Å; F135-L141 HydrophobicContact CE1-CB 4.21Å; F135-L141 HydrophobicContact CE1-CD1 4.17Å; F135-L141 HydrophobicContact CZ-CD1 4.24Å; L141-Q144 HydrophobicContact CD2-CB 4.44Å
142	V	94.1	Very high	93.5	Very high	103 Å²	103	68.2 Å²	68.2	62%	0.624	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	-37.2	-179.3	178.6	0	0	0	0	111.7	L134 D136 H140	L134-V142 PolarHBondContact O-N 3.27Å; D136-V142 HydrophobicContact CB-CG2 3.69Å; H140-V142 PolarHBondContact O-N 2.91Å
143	Q	94.5	Very high	93.5	Very high	105 Å²	105	65.3 Å²	65.3	49%	0.491	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.3	178.9	-168.9	-179.6	23.9	0	0	111.1	L133 L134	L133-Q143 WeakPolarHBondContact CA-O 3.4Å; L134-Q143 HydrophobicContact CB-CB 4.16Å; L134-Q143 HydrophobicContact CD1-CB 4.16Å; L134-Q143 HydrophobicContact CG-CB 4.29Å; L134-Q143 PolarHBondContact N-O 2.88Å; L134-Q143 PolarHBondContact O-N 2.91Å
144	Q	95.3	Very high	93.6	Very high	88 Å²	88	66 Å²	66	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.8	166.2	-172.3	172.1	-26.4	0	0	109.2	E75 T131 K132 L133 L141	E75-Q144 PolarHBondContact OE1-NE2 3.11Å; T131-Q144 HydrophobicContact CG2-CG 3.37Å; K132-Q144 CarbonylContact O-C 3.49Å; K132-Q144 WeakPolarHBondContact O-CA 3.49Å; L133-Q144 HydrophobicContact CD2-CB 4.39Å; L133-Q144 HydrophobicContact CD2-CG 3.98Å; L141-Q144 HydrophobicContact CD2-CB 4.44Å
145	S	96.2	Very high	93.6	Very high	33 Å²	33	64.2 Å²	64.2	23%	0.231	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.9	175.6	47.3	0	0	0	0	112.1	K132 C147	K132-S145 PolarHBondContact N-O 3.48Å; K132-S145 PolarHBondContact O-N 3.05Å; S145-C147 PolarHBondContact O-N 3.18Å
146	P	95.1	Very high	93.8	Very high	111 Å²	111	63.9 Å²	63.9	72%	0.721	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.6	177.8	27.9	-34.4	0	0	0	110.9	I129	I129-P146 HydrophobicContact CG2-CB 4.36Å
147	C	93.8	Very high	94	Very high	36 Å²	36	62 Å²	62	24%	0.243	32%	0.324	C	S	.	.			trans	-144.3	101.3	-176.2	-165.6	0	0	0	0	110.3	I121 G130 K132 S145 R149	I121-C147 HydrophobicContact CG2-CB 3.85Å; G130-C147 CarbonylContact C-O 3.52Å; G130-C147 VanDerWaalsContact C-O 3.27Å; G130-C147 WeakPolarHBondContact CA-O 3.27Å; G130-C147 CarbonylContact O-C 3.59Å; G130-C147 PolarHBondContact O-N 3.18Å; G130-C147 VanDerWaalsContact O-O 3.14Å; K132-C147 HydrophobicContact CB-CB 3.79Å; S145-C147 PolarHBondContact O-N 3.18Å; C147-R149 PolarHBondContact O-N 2.91Å
148	P	92.7	Very high	94.3	Very high	118 Å²	118	62.6 Å²	62.6	77%	0.766	33%	0.327	S	S	*	.			trans	-58	125.9	-178.7	-26.9	35.8	0	0	0	113.1
149	R	92.7	Very high	94.6	Very high	56 Å²	56	60.5 Å²	60.5	21%	0.211	32%	0.319	C	S	.	.			trans	-158.8	165.6	177.7	63.4	-173.5	-57.3	-78.8	12.2	110.1	I121 C123 C147 G152 T153 T154	I121-R149 VanDerWaalsContact O-CZ 3.26Å; I121-R149 PolarHBondContact O-NE 3.31Å; I121-R149 VanDerWaalsContact O-NE 3.14Å; I121-R149 PolarHBondContact O-NH2 3.37Å; C123-R149 HydrophobicContact CB-CG 3.78Å; C147-R149 PolarHBondContact O-N 2.91Å; R149-G152 PolarHBondContact NH1-O 3.28Å; R149-G152 PolarHBondContact NH2-O 3.49Å; R149-T153 VanDerWaalsContact NH2-CA 3.3Å; R149-T154 PolarHBondContact NH2-OG1 2.82Å
150	Q	93.5	Very high	95	Very high	176 Å²	176	60.6 Å²	60.6	82%	0.822	32%	0.319	S	S	*	.			trans	-74.5	174.8	168.3	-66.9	175.8	-32	0	0	110.9
151	Q	96	Very high	95.2	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	30%	0.3	S	S	.	.	S	Bend	trans	-56.6	151.6	175.8	-164.2	-170.6	-2.8	0	0	112.2
152	G	96.6	Very high	95.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120	-160.1	176.5	0	0	0	0	0	113.4	G70 G72 T122 C123 R149	G70-G152 WeakPolarHBondContact O-CA 3.48Å; G70-G152 PolarHBondContact O-N 3.15Å; G72-G152 WeakPolarHBondContact CA-O 3.47Å; T122-G152 PolarHBondContact OG1-O 2.6Å; C123-G152 PolarHBondContact N-O 2.99Å; C123-G152 PolarHBondContact O-N 2.81Å; R149-G152 PolarHBondContact NH1-O 3.28Å; R149-G152 PolarHBondContact NH2-O 3.49Å
153	T	97.6	Very high	95	Very high	13 Å²	13	54 Å²	54	8%	0.08	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.7	174.4	-63.3	0	0	0	0	111.8	S67 D68 V120 T122 R149 V155	S67-T153 WeakPolarHBondContact CA-O 3.18Å; D68-T153 PolarHBondContact N-O 3.01Å; D68-T153 PolarHBondContact OD1-N 3.45Å; V120-T153 HydrophobicContact CG1-CG2 3.69Å; T122-T153 PolarHBondContact OG1-OG1 3.38Å; R149-T153 VanDerWaalsContact NH2-CA 3.3Å; T153-V155 HydrophobicContact CG2-CG2 3.91Å
154	T	98	Very high	94.8	Very high	15 Å²	15	51 Å²	51	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	111.8	173.3	-50.5	0	0	0	0	108.2	E65 V66 S67 V120 I121 R149	E65-T154 HydrophobicContact CG-CG2 4.01Å; V66-T154 CarbonylContact O-C 3.49Å; V66-T154 WeakPolarHBondContact O-CA 3.42Å; S67-T154 PolarHBondContact OG-OG1 2.83Å; V120-T154 CarbonylContact C-O 3.46Å; V120-T154 WeakPolarHBondContact CA-O 3.37Å; I121-T154 PolarHBondContact N-O 2.85Å; I121-T154 PolarHBondContact O-N 3.15Å; R149-T154 PolarHBondContact NH2-OG1 2.82Å
155	V	97.9	Very high	94.5	Very high	14 Å²	14	51 Å²	51	9%	0.085	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.8	177.6	-172.5	0	0	0	0	109.2	L40 E65 V66 L109 L118 V120 T153 L157	L40-V155 HydrophobicContact CD1-CB 4.4Å; L40-V155 HydrophobicContact CD1-CG1 4.28Å; L40-V155 HydrophobicContact CD2-CB 3.96Å; L40-V155 HydrophobicContact CD2-CG1 3.74Å; L40-V155 HydrophobicContact CD2-CG2 4.18Å; E65-V155 WeakPolarHBondContact CA-O 3.4Å; V66-V155 PolarHBondContact N-O 2.85Å; V66-V155 PolarHBondContact O-N 3.14Å; L109-V155 HydrophobicContact CD2-CG1 4.33Å; L118-V155 HydrophobicContact CD1-CG1 4.4Å; L118-V155 HydrophobicContact CG-CG1 4.36Å; V120-V155 HydrophobicContact CG2-CG1 4.39Å; V120-V155 HydrophobicContact CG2-CG2 4.32Å; T153-V155 HydrophobicContact CG2-CG2 3.91Å; V155-L157 HydrophobicContact CG1-CD2 4.27Å
156	T	98.1	Very high	94.3	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.5	179.1	-67	0	0	0	0	110.4	Q63 I64 S119 Q158	Q63-T156 HydrophobicContact CG-CG2 4.06Å; Q63-T156 VanDerWaalsContact NE2-CG2 3.3Å; I64-T156 CarbonylContact O-C 3.6Å; I64-T156 WeakPolarHBondContact O-CA 3.41Å; S119-T156 PolarHBondContact N-O 2.94Å; S119-T156 PolarHBondContact O-N 2.84Å; S119-T156 PolarHBondContact OG-O 2.84Å; T156-Q158 HydrophobicContact CG2-CG 4.33Å
157	L	96.9	Very high	94.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137	173.4	-46.1	177.5	0	0	0	109.2	L40 Q63 I64 L112 D117 L118 V155	L40-L157 HydrophobicContact CD1-CD1 3.98Å; L40-L157 HydrophobicContact CD1-CG 4.26Å; Q63-L157 WeakPolarHBondContact CA-O 3.46Å; I64-L157 HydrophobicContact CB-CB 4.27Å; I64-L157 HydrophobicContact CB-CD1 4.38Å; I64-L157 HydrophobicContact CD1-CD1 4.14Å; I64-L157 PolarHBondContact N-O 2.93Å; I64-L157 PolarHBondContact O-N 3.04Å; L112-L157 HydrophobicContact CB-CD2 4.05Å; L112-L157 HydrophobicContact CD1-CD1 4.18Å; L112-L157 HydrophobicContact CD1-CD2 4.3Å; L112-L157 HydrophobicContact CD2-CD1 3.86Å; L112-L157 HydrophobicContact CG-CD1 4.46Å; D117-L157 CarbonylContact O-C 3.52Å; D117-L157 WeakPolarHBondContact O-CA 3.38Å; L118-L157 HydrophobicContact CB-CD2 4.17Å; L118-L157 HydrophobicContact CD1-CD2 3.54Å; L118-L157 HydrophobicContact CG-CD2 3.77Å; V155-L157 HydrophobicContact CG1-CD2 4.27Å
158	Q	95.9	Very high	94.1	Very high	87 Å²	87	52.8 Å²	52.8	41%	0.407	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.6	171.7	-58.2	-176.8	-18.7	0	0	111	Q63 S116 D117 T156 L160	Q63-Q158 HydrophobicContact CG-CG 4.31Å; S116-Q158 VanDerWaalsContact CB-O 3.28Å; S116-Q158 WeakPolarHBondContact CB-O 3.48Å; D117-Q158 HydrophobicContact CB-CB 4.28Å; D117-Q158 PolarHBondContact N-O 2.88Å; D117-Q158 PolarHBondContact O-N 3.34Å; T156-Q158 HydrophobicContact CG2-CG 4.33Å; Q158-L160 PolarHBondContact O-N 2.65Å
159	Q	92.5	Very high	94.1	Very high	74 Å²	74	54.4 Å²	54.4	35%	0.346	27%	0.267	S	S	.	.	S	Bend	trans	53.3	54.4	175.1	-58.3	-64.4	-57.6	0	0	114.7	E62 F161 Y162	E62-Q159 PolarHBondContact O-N 3.18Å; Q159-F161 PolarHBondContact O-N 2.84Å; Q159-Y162 HydrophobicContact CB-CD1 3.93Å; Q159-Y162 HydrophobicContact CB-CG 4.11Å; Q159-Y162 WeakPolarHBondContact O-CB 3.46Å; Q159-Y162 VanDerWaalsContact O-CD1 3.27Å; Q159-Y162 WeakPolarHBondContact O-CD1 3.34Å; Q159-Y162 PolarHBondContact O-N 2.96Å
160	L	94.3	Very high	94.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129.2	-173.8	-175.3	65.3	0	0	0	113.4	L33 A36 I64 L112 Q158 H168 F171	L33-L160 HydrophobicContact CD1-CD2 4.41Å; A36-L160 HydrophobicContact CB-CD2 3.94Å; I64-L160 HydrophobicContact CD1-CB 4.36Å; I64-L160 HydrophobicContact CD1-CD2 3.79Å; L112-L160 HydrophobicContact CD2-CD1 4.42Å; Q158-L160 PolarHBondContact O-N 2.65Å; L160-H168 PolarHBondContact O-CD2 2.93Å; L160-F171 HydrophobicContact CB-CE1 4.1Å; L160-F171 HydrophobicContact CD2-CZ 4.49Å; L160-F171 WeakPolarHBondContact O-CD1 3.43Å
161	F	94.1	Very high	94.2	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	8.6	-174.4	-47.3	-59.6	0	0	0	116.7	V30 L115 Q159 T163 L164 R167 F171	V30-F161 HydrophobicContact CG1-CE1 4.23Å; V30-F161 HydrophobicContact CG1-CZ 4.42Å; L115-F161 HydrophobicContact CB-CD1 4.36Å; L115-F161 HydrophobicContact CD1-CD1 4.22Å; L115-F161 HydrophobicContact CD1-CE1 4.14Å; L115-F161 HydrophobicContact CD2-CD1 4.44Å; L115-F161 VanDerWaalsContact O-CA 3.25Å; L115-F161 WeakPolarHBondContact O-CA 3.15Å; L115-F161 PolarHBondContact O-N 3.04Å; Q159-F161 PolarHBondContact O-N 2.84Å; F161-T163 PolarHBondContact O-N 2.81Å; F161-T163 VanDerWaalsContact O-N 3.12Å; F161-L164 CarbonylContact O-C 3.58Å; F161-L164 PolarHBondContact O-N 3.14Å; F161-R167 HydrophobicContact CB-CG 4.29Å; F161-R167 VanDerWaalsContact CE1-NH2 3.3Å; F161-R167 HydrophobicContact CG-CG 4.28Å; F161-F171 HydrophobicContact CD2-CB 4Å; F161-F171 AromaticContact CD2-CD1 3.79Å; F161-F171 HydrophobicContact CD2-CD1 3.79Å; F161-F171 HydrophobicContact CD2-CD2 4.43Å; F161-F171 HydrophobicContact CD2-CE1 4.38Å; F161-F171 AromaticContact CD2-CG 3.82Å; F161-F171 HydrophobicContact CD2-CG 3.82Å; F161-F171 HydrophobicContact CE2-CD1 4.38Å; F161-F171 HydrophobicContact CE2-CD2 4.34Å; F161-F171 HydrophobicContact CE2-CG 4.18Å
162	Y	92.8	Very high	94	Very high	77 Å²	77	47.9 Å²	47.9	30%	0.302	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.4	-176.1	87	-80.4	0	0	0	114.2	D117 H137 Q159 L164	D117-Y162 PolarHBondContact OD1-OH 2.82Å; D117-Y162 VanDerWaalsContact OD1-OH 3.11Å; H137-Y162 AromaticContact CE1-CZ 3.98Å; H137-Y162 PolarHBondContact CE1-OH 2.79Å; H137-Y162 PolarHBondContact NE2-OH 2.88Å; Q159-Y162 HydrophobicContact CB-CD1 3.93Å; Q159-Y162 HydrophobicContact CB-CG 4.11Å; Q159-Y162 WeakPolarHBondContact O-CB 3.46Å; Q159-Y162 VanDerWaalsContact O-CD1 3.27Å; Q159-Y162 WeakPolarHBondContact O-CD1 3.34Å; Q159-Y162 PolarHBondContact O-N 2.96Å; Y162-L164 PolarHBondContact O-N 3.47Å; Y162-L164 VanDerWaalsContact O-N 3.09Å
163	T	90.3	Very high	93.9	Very high	23 Å²	23	56.3 Å²	56.3	14%	0.141	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.7	175	71.5	0	0	0	0	113.6	R23 A114 F161	R23-T163 PolarHBondContact NH2-O 3.44Å; A114-T163 PolarHBondContact O-OG1 3.26Å; F161-T163 PolarHBondContact O-N 2.81Å; F161-T163 VanDerWaalsContact O-N 3.12Å
164	L	90.1	Very high	93.8	Very high	41 Å²	41	57 Å²	57	22%	0.215	27%	0.274	C	S	.	.	S	Bend	trans	-126.9	80.5	177	-64.2	178	0	0	0	110.5	L115 F161 Y162 V166 R167 H168	L115-L164 HydrophobicContact CD2-CD1 3.55Å; L115-L164 HydrophobicContact CD2-CG 4.13Å; F161-L164 CarbonylContact O-C 3.58Å; F161-L164 PolarHBondContact O-N 3.14Å; Y162-L164 PolarHBondContact O-N 3.47Å; Y162-L164 VanDerWaalsContact O-N 3.09Å; L164-V166 PolarHBondContact O-N 2.82Å; L164-V166 VanDerWaalsContact O-N 3.11Å; L164-R167 HydrophobicContact CB-CB 3.97Å; L164-R167 WeakPolarHBondContact O-CA 3.27Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 PolarHBondContact O-N 3.46Å; L164-H168 PolarHBondContact O-N 2.94Å
165	P	90.1	Very high	93.7	Very high	89 Å²	89	57.7 Å²	57.7	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-56.2	-36.3	-164.1	-30.8	36.7	0	0	0	116.9	K169	P165-K169 WeakPolarHBondContact O-CG 3.39Å; P165-K169 PolarHBondContact O-N 3.21Å; P165-K169 VanDerWaalsContact O-N 3.12Å
166	V	92	Very high	93.5	Very high	128 Å²	128	65.5 Å²	65.5	78%	0.776	31%	0.309	S	S	*	.	H	α-helix	trans	-64.8	-44.3	176.1	179.5	0	0	0	0	110.6	L164 K169 E170	L164-V166 PolarHBondContact O-N 2.82Å; L164-V166 VanDerWaalsContact O-N 3.11Å; V166-K169 PolarHBondContact O-N 3.5Å; V166-E170 PolarHBondContact O-N 3.39Å; V166-E170 VanDerWaalsContact O-N 3.07Å
167	R	89.8	Confident	93.3	Very high	61 Å²	61	71.5 Å²	71.5	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-71.1	-37.9	179.9	-174.1	176.7	179	173.6	-2	111.9	G27 V30 L31 F161 L164 E170 F171	G27-R167 PolarHBondContact O-NH1 2.84Å; V30-R167 PolarHBondContact O-NH2 2.97Å; L31-R167 PolarHBondContact O-NH2 2.98Å; F161-R167 HydrophobicContact CB-CG 4.29Å; F161-R167 VanDerWaalsContact CE1-NH2 3.3Å; F161-R167 HydrophobicContact CG-CG 4.28Å; L164-R167 HydrophobicContact CB-CB 3.97Å; L164-R167 WeakPolarHBondContact O-CA 3.27Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 PolarHBondContact O-N 3.46Å; R167-E170 PolarHBondContact O-N 2.99Å; R167-F171 VanDerWaalsContact O-CB 3.28Å; R167-F171 WeakPolarHBondContact O-CB 3.2Å; R167-F171 PolarHBondContact O-N 3.45Å
168	H	93.4	Very high	93.3	Very high	27 Å²	27	72.6 Å²	72.6	13%	0.125	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-47.2	173.1	-170	-150	0	0	0	111.5	L160 L164 E170 F171 Q172	L160-H168 PolarHBondContact O-CD2 2.93Å; L164-H168 PolarHBondContact O-N 2.94Å; H168-E170 PolarHBondContact O-N 3.21Å; H168-F171 PolarHBondContact O-N 3.11Å; H168-Q172 PolarHBondContact CE1-NE2 2.93Å; H168-Q172 PolarHBondContact NE2-NE2 3.01Å; H168-Q172 WeakPolarHBondContact O-CG 3.21Å; H168-Q172 PolarHBondContact O-N 2.8Å
169	K	93.3	Very high	93.3	Very high	152 Å²	152	70.2 Å²	70.2	66%	0.661	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-42.7	175.6	-74.1	178.9	178.4	-177.5	0	112.4	P165 V166 R173	P165-K169 WeakPolarHBondContact O-CG 3.39Å; P165-K169 PolarHBondContact O-N 3.21Å; P165-K169 VanDerWaalsContact O-N 3.12Å; V166-K169 PolarHBondContact O-N 3.5Å; K169-R173 VanDerWaalsContact O-CB 3.26Å; K169-R173 WeakPolarHBondContact O-CB 3.44Å; K169-R173 PolarHBondContact O-N 2.89Å
170	E	93.8	Very high	93.4	Very high	85 Å²	85	69.4 Å²	69.4	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-69.5	-35.3	178.7	-175	61	-172.3	0	0	112.7	V166 R167 H168 R173 N174	V166-E170 PolarHBondContact O-N 3.39Å; V166-E170 VanDerWaalsContact O-N 3.07Å; R167-E170 PolarHBondContact O-N 2.99Å; H168-E170 PolarHBondContact O-N 3.21Å; E170-R173 IonicContact OE1-CZ 2.66Å; E170-R173 IonicContact OE1-NE 2.7Å; E170-R173 IonicContact OE1-NH2 3.95Å; E170-R173 PolarHBondContact OE1-NH2 3.12Å; E170-R173 IonicContact OE2-CZ 2.66Å; E170-R173 VanDerWaalsContact OE2-CZ 3.24Å; E170-R173 IonicContact OE2-NE 2.88Å; E170-R173 PolarHBondContact OE2-NE 3.09Å; E170-R173 IonicContact OE2-NH2 2.68Å; E170-R173 PolarHBondContact OE2-NH2 2.64Å; E170-N174 WeakPolarHBondContact O-CB 3.42Å; E170-N174 PolarHBondContact O-N 2.79Å; E170-N174 PolarHBondContact O-ND2 3.39Å; E170-N174 PolarHBondContact OE1-ND2 3.26Å
171	F	94.2	Very high	93.4	Very high	10 Å²	10	74.6 Å²	74.6	4%	0.044	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-52.4	172	171.4	-130.5	0	0	0	111.3	L33 L160 F161 R167 H168 R173 N174 I175 E178	L33-F171 HydrophobicContact CB-CE2 3.81Å; L33-F171 HydrophobicContact CB-CZ 4.24Å; L33-F171 HydrophobicContact CD1-CZ 4.43Å; L33-F171 HydrophobicContact CD2-CE2 4.22Å; L33-F171 HydrophobicContact CD2-CZ 4.42Å; L33-F171 HydrophobicContact CG-CE2 4.48Å; L160-F171 HydrophobicContact CB-CE1 4.1Å; L160-F171 HydrophobicContact CD2-CZ 4.49Å; L160-F171 WeakPolarHBondContact O-CD1 3.43Å; F161-F171 HydrophobicContact CD2-CB 4Å; F161-F171 AromaticContact CD2-CD1 3.79Å; F161-F171 HydrophobicContact CD2-CD1 3.79Å; F161-F171 HydrophobicContact CD2-CD2 4.43Å; F161-F171 HydrophobicContact CD2-CE1 4.38Å; F161-F171 AromaticContact CD2-CG 3.82Å; F161-F171 HydrophobicContact CD2-CG 3.82Å; F161-F171 HydrophobicContact CE2-CD1 4.38Å; F161-F171 HydrophobicContact CE2-CD2 4.34Å; F161-F171 HydrophobicContact CE2-CG 4.18Å; R167-F171 VanDerWaalsContact O-CB 3.28Å; R167-F171 WeakPolarHBondContact O-CB 3.2Å; R167-F171 PolarHBondContact O-N 3.45Å; H168-F171 PolarHBondContact O-N 3.11Å; F171-R173 VanDerWaalsContact C-N 3.33Å; F171-R173 PolarHBondContact O-N 2.89Å; F171-N174 CarbonylContact O-C 3.59Å; F171-N174 PolarHBondContact O-N 3.24Å; F171-I175 HydrophobicContact CD2-CD1 4.22Å; F171-I175 HydrophobicContact CE1-CD1 4.33Å; F171-I175 HydrophobicContact CE2-CD1 3.42Å; F171-I175 VanDerWaalsContact CE2-CD1 3.42Å; F171-I175 HydrophobicContact CZ-CD1 3.5Å; F171-I175 WeakPolarHBondContact O-CA 3.49Å; F171-I175 PolarHBondContact O-N 3Å; F171-E178 HydrophobicContact CD2-CB 4.29Å; F171-E178 HydrophobicContact CD2-CG 4.11Å; F171-E178 HydrophobicContact CE2-CB 4.11Å; F171-E178 HydrophobicContact CE2-CG 4.43Å
172	Q	93.2	Very high	93.5	Very high	90 Å²	90	74.4 Å²	74.4	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-45	175.5	-71.5	-180	-12.1	0	0	111.7	H168 N174 I175	H168-Q172 PolarHBondContact CE1-NE2 2.93Å; H168-Q172 PolarHBondContact NE2-NE2 3.01Å; H168-Q172 WeakPolarHBondContact O-CG 3.21Å; H168-Q172 PolarHBondContact O-N 2.8Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.46Å; Q172-I175 WeakPolarHBondContact O-CG2 3.32Å; Q172-I175 PolarHBondContact O-N 3.01Å
173	R	94.4	Very high	93.7	Very high	178 Å²	178	71.7 Å²	71.7	67%	0.672	35%	0.346	S	S	*	.	H	α-helix	trans	-61.6	-34.4	178.8	-168.9	179.2	75.1	97.8	-1.2	113.2	K169 E170 F171	K169-R173 VanDerWaalsContact O-CB 3.26Å; K169-R173 WeakPolarHBondContact O-CB 3.44Å; K169-R173 PolarHBondContact O-N 2.89Å; E170-R173 IonicContact OE1-CZ 2.66Å; E170-R173 IonicContact OE1-NE 2.7Å; E170-R173 IonicContact OE1-NH2 3.95Å; E170-R173 PolarHBondContact OE1-NH2 3.12Å; E170-R173 IonicContact OE2-CZ 2.66Å; E170-R173 VanDerWaalsContact OE2-CZ 3.24Å; E170-R173 IonicContact OE2-NE 2.88Å; E170-R173 PolarHBondContact OE2-NE 3.09Å; E170-R173 IonicContact OE2-NH2 2.68Å; E170-R173 PolarHBondContact OE2-NH2 2.64Å; F171-R173 VanDerWaalsContact C-N 3.33Å; F171-R173 PolarHBondContact O-N 2.89Å
174	N	95.1	Very high	93.9	Very high	28 Å²	28	73.4 Å²	73.4	15%	0.15	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	11.6	-179	-67.5	-85.3	0	0	0	113.9	E170 F171 Q172 K176 K177 E178	E170-N174 WeakPolarHBondContact O-CB 3.42Å; E170-N174 PolarHBondContact O-N 2.79Å; E170-N174 PolarHBondContact O-ND2 3.39Å; E170-N174 PolarHBondContact OE1-ND2 3.26Å; F171-N174 CarbonylContact O-C 3.59Å; F171-N174 PolarHBondContact O-N 3.24Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.46Å; N174-K176 PolarHBondContact O-N 3.03Å; N174-K177 WeakPolarHBondContact O-CA 3.3Å; N174-K177 WeakPolarHBondContact O-CB 3.49Å; N174-K177 PolarHBondContact O-N 3.28Å; N174-E178 PolarHBondContact O-N 3.21Å; N174-E178 VanDerWaalsContact O-N 3.15Å
175	I	94.8	Very high	94.1	Very high	29 Å²	29	72.4 Å²	72.4	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-50.3	-37.3	-168.5	-172	62.4	0	0	0	113.9	L33 C59 A61 F171 Q172 K177 E178 F179	L33-I175 HydrophobicContact CD2-CD1 4.35Å; C59-I175 HydrophobicContact CB-CD1 4.46Å; C59-I175 HydrophobicContact CB-CG1 3.94Å; A61-I175 HydrophobicContact CB-CD1 4Å; A61-I175 HydrophobicContact CB-CG1 4.2Å; F171-I175 HydrophobicContact CD2-CD1 4.22Å; F171-I175 HydrophobicContact CE1-CD1 4.33Å; F171-I175 HydrophobicContact CE2-CD1 3.42Å; F171-I175 VanDerWaalsContact CE2-CD1 3.42Å; F171-I175 HydrophobicContact CZ-CD1 3.5Å; F171-I175 WeakPolarHBondContact O-CA 3.49Å; F171-I175 PolarHBondContact O-N 3Å; Q172-I175 WeakPolarHBondContact O-CG2 3.32Å; Q172-I175 PolarHBondContact O-N 3.01Å; I175-K177 PolarHBondContact O-N 3.3Å; I175-E178 PolarHBondContact O-N 3.36Å; I175-F179 VanDerWaalsContact O-CB 3.22Å; I175-F179 WeakPolarHBondContact O-CB 3.09Å; I175-F179 PolarHBondContact O-N 2.92Å
176	K	94.4	Very high	94.4	Very high	177 Å²	177	68.4 Å²	68.4	77%	0.77	32%	0.321	S	S	*	.	H	α-helix	trans	-63.6	-34.9	176.7	-64.7	-176.6	179.3	179.7	0	113.6	N174 A180	N174-K176 PolarHBondContact O-N 3.03Å; K176-A180 WeakPolarHBondContact O-CB 3.36Å; K176-A180 PolarHBondContact O-N 3.1Å
177	K	95.1	Very high	94.6	Very high	137 Å²	137	64 Å²	64	60%	0.596	29%	0.293	S	S	*	.	H	α-helix	trans	-75.6	-42.4	175.1	-65.5	179.6	-179.9	172.3	0	111.1	N174 I175 A180 K181	N174-K177 WeakPolarHBondContact O-CA 3.3Å; N174-K177 WeakPolarHBondContact O-CB 3.49Å; N174-K177 PolarHBondContact O-N 3.28Å; I175-K177 PolarHBondContact O-N 3.3Å; K177-A180 PolarHBondContact O-N 2.68Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.35Å
178	E	95.6	Very high	94.9	Very high	26 Å²	26	61.5 Å²	61.5	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-39.2	178.2	-66.7	-56	116.4	0	0	111.9	S32 L33 F171 N174 I175 K181 M182	S32-E178 WeakPolarHBondContact CB-OE2 3.49Å; L33-E178 HydrophobicContact CB-CB 4.24Å; L33-E178 HydrophobicContact CD2-CB 4.4Å; F171-E178 HydrophobicContact CD2-CB 4.29Å; F171-E178 HydrophobicContact CD2-CG 4.11Å; F171-E178 HydrophobicContact CE2-CB 4.11Å; F171-E178 HydrophobicContact CE2-CG 4.43Å; N174-E178 PolarHBondContact O-N 3.21Å; N174-E178 VanDerWaalsContact O-N 3.15Å; I175-E178 PolarHBondContact O-N 3.36Å; E178-K181 PolarHBondContact O-N 2.8Å; E178-K181 WeakPolarHBondContact OE1-CD 3.37Å; E178-K181 WeakPolarHBondContact OE1-CE 3.42Å; E178-K181 IonicContact OE1-NZ 2.88Å; E178-K181 PolarHBondContact OE1-NZ 3.31Å; E178-K181 IonicContact OE2-NZ 2.81Å; E178-M182 WeakPolarHBondContact O-CB 3.18Å; E178-M182 PolarHBondContact O-N 3.37Å
179	F	96.4	Very high	95	Very high	37 Å²	37	60.3 Å²	60.3	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-44.8	170.6	-179.3	-99.8	0	0	0	111.9	L56 C59 I175 K181 M182 I183 N202 V212	L56-F179 HydrophobicContact CD1-CD2 4.17Å; L56-F179 HydrophobicContact CD1-CE2 3.75Å; C59-F179 HydrophobicContact CB-CB 4Å; C59-F179 HydrophobicContact CB-CD2 3.57Å; C59-F179 HydrophobicContact CB-CE2 4.18Å; C59-F179 HydrophobicContact CB-CG 3.85Å; C59-F179 WeakPolarHBondContact O-CD2 3.43Å; I175-F179 VanDerWaalsContact O-CB 3.22Å; I175-F179 WeakPolarHBondContact O-CB 3.09Å; I175-F179 PolarHBondContact O-N 2.92Å; F179-K181 PolarHBondContact O-N 2.99Å; F179-M182 HydrophobicContact CD2-CE 3.47Å; F179-M182 VanDerWaalsContact CD2-CE 3.47Å; F179-M182 HydrophobicContact CE2-CE 3.69Å; F179-M182 HydrophobicContact CG-CE 4.27Å; F179-M182 PolarHBondContact O-N 3.5Å; F179-I183 HydrophobicContact CD1-CG1 4.25Å; F179-I183 HydrophobicContact CE1-CG1 3.91Å; F179-I183 HydrophobicContact CE2-CD1 4.35Å; F179-I183 HydrophobicContact CE2-CG1 4.25Å; F179-I183 HydrophobicContact CZ-CD1 4.16Å; F179-I183 HydrophobicContact CZ-CG1 3.92Å; F179-I183 WeakPolarHBondContact O-CG1 3.27Å; F179-I183 PolarHBondContact O-N 3.05Å; F179-N202 HydrophobicContact CE2-CB 4.38Å; F179-N202 HydrophobicContact CZ-CB 4.45Å; F179-V212 HydrophobicContact CZ-CG1 4.01Å; F179-V212 HydrophobicContact CZ-CG2 4.17Å
180	A	95.4	Very high	95.1	Very high	57 Å²	57	53.1 Å²	53.1	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-41.8	176.7	0	0	0	0	0	112.6	K176 K177 I183 H184	K176-A180 WeakPolarHBondContact O-CB 3.36Å; K176-A180 PolarHBondContact O-N 3.1Å; K177-A180 PolarHBondContact O-N 2.68Å; A180-I183 PolarHBondContact O-N 2.98Å; A180-H184 PolarHBondContact O-N 2.88Å
181	K	94.1	Very high	95.2	Very high	110 Å²	110	49.1 Å²	49.1	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-46.9	171.8	-70	173.9	-177.8	174.3	0	111.7	A34 K177 E178 F179 H184 V185	A34-K181 HydrophobicContact CB-CB 4.34Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.35Å; E178-K181 PolarHBondContact O-N 2.8Å; E178-K181 WeakPolarHBondContact OE1-CD 3.37Å; E178-K181 WeakPolarHBondContact OE1-CE 3.42Å; E178-K181 IonicContact OE1-NZ 2.88Å; E178-K181 PolarHBondContact OE1-NZ 3.31Å; E178-K181 IonicContact OE2-NZ 2.81Å; F179-K181 PolarHBondContact O-N 2.99Å; K181-H184 PolarHBondContact O-N 3.13Å; K181-V185 WeakPolarHBondContact O-CG2 3.19Å; K181-V185 PolarHBondContact O-N 3.3Å
182	M	96	Very high	95.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-43.4	179.8	176.3	-77.8	-57.2	0	0	111.4	L33 A34 V37 L56 E178 F179 H184 V185 L186	L33-M182 HydrophobicContact CD2-CB 4.24Å; L33-M182 HydrophobicContact CG-CB 4.05Å; L33-M182 HydrophobicContact CG-CG 4.11Å; A34-M182 HydrophobicContact CB-CB 3.98Å; V37-M182 HydrophobicContact CB-CG 3.87Å; V37-M182 HydrophobicContact CB-SD 4.44Å; V37-M182 HydrophobicContact CG1-CG 4.22Å; V37-M182 HydrophobicContact CG1-SD 4.18Å; V37-M182 HydrophobicContact CG2-CG 3.78Å; V37-M182 HydrophobicContact CG2-SD 4.29Å; L56-M182 HydrophobicContact CD1-CE 3.34Å; L56-M182 HydrophobicContact CD1-SD 4.32Å; E178-M182 WeakPolarHBondContact O-CB 3.18Å; E178-M182 PolarHBondContact O-N 3.37Å; F179-M182 HydrophobicContact CD2-CE 3.47Å; F179-M182 VanDerWaalsContact CD2-CE 3.47Å; F179-M182 HydrophobicContact CE2-CE 3.69Å; F179-M182 HydrophobicContact CG-CE 4.27Å; F179-M182 PolarHBondContact O-N 3.5Å; M182-H184 PolarHBondContact O-N 2.99Å; M182-V185 PolarHBondContact O-N 3.02Å; M182-L186 WeakPolarHBondContact O-CB 3.36Å; M182-L186 PolarHBondContact O-N 2.91Å; M182-L186 HydrophobicContact SD-CD2 4.32Å
183	I	96.4	Very high	95.1	Very high	20 Å²	20	45.3 Å²	45.3	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-40	174.7	-68	-58.5	0	0	0	111.5	F179 A180 L186 Q187 V212 L213	F179-I183 HydrophobicContact CD1-CG1 4.25Å; F179-I183 HydrophobicContact CE1-CG1 3.91Å; F179-I183 HydrophobicContact CE2-CD1 4.35Å; F179-I183 HydrophobicContact CE2-CG1 4.25Å; F179-I183 HydrophobicContact CZ-CD1 4.16Å; F179-I183 HydrophobicContact CZ-CG1 3.92Å; F179-I183 WeakPolarHBondContact O-CG1 3.27Å; F179-I183 PolarHBondContact O-N 3.05Å; A180-I183 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 3.44Å; I183-Q187 HydrophobicContact CG2-CG 4.32Å; I183-Q187 WeakPolarHBondContact O-CB 3.24Å; I183-Q187 WeakPolarHBondContact O-CG 3.44Å; I183-Q187 PolarHBondContact O-N 3.39Å; I183-V212 HydrophobicContact CD1-CB 4.35Å; I183-V212 HydrophobicContact CD1-CG1 3.57Å; I183-V212 HydrophobicContact CG1-CG1 4.09Å; I183-L213 HydrophobicContact CG2-CD2 4.37Å
184	H	95	Very high	95	Very high	58 Å²	58	39.9 Å²	39.9	27%	0.269	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-41.8	175.5	-179.5	81.8	0	0	0	112.4	A180 K181 M182 Q187 A188 D284 F287	A180-H184 PolarHBondContact O-N 2.88Å; K181-H184 PolarHBondContact O-N 3.13Å; M182-H184 PolarHBondContact O-N 2.99Å; H184-Q187 PolarHBondContact O-N 3.15Å; H184-A188 PolarHBondContact O-N 2.92Å; H184-D284 PolarHBondContact ND1-O 3.25Å; H184-F287 AromaticContact CE1-CE1 3.43Å; H184-F287 VanDerWaalsContact CE1-CE1 3.43Å; H184-F287 WeakPolarHBondContact CE1-CE1 3.47Å; H184-F287 AromaticContact CE1-CZ 3.88Å; H184-F287 AromaticContact ND1-CE1 3.6Å; H184-F287 AromaticContact ND1-CZ 3.9Å; H184-F287 AromaticContact NE2-CE1 4Å
185	V	94.1	Very high	94.9	Very high	21 Å²	21	39.4 Å²	39.4	13%	0.127	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-45.6	173.2	171.7	0	0	0	0	111	A34 K38 K181 M182 Q187 A188 Y189	A34-V185 HydrophobicContact CB-CB 4.42Å; A34-V185 HydrophobicContact CB-CG2 4.08Å; K38-V185 HydrophobicContact CB-CG1 4.27Å; K181-V185 WeakPolarHBondContact O-CG2 3.19Å; K181-V185 PolarHBondContact O-N 3.3Å; M182-V185 PolarHBondContact O-N 3.02Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 2.97Å; V185-A188 VanDerWaalsContact O-CB 3.25Å; V185-A188 WeakPolarHBondContact O-CB 3.31Å; V185-A188 PolarHBondContact O-N 2.96Å; V185-Y189 HydrophobicContact CG1-CD2 4.22Å; V185-Y189 HydrophobicContact CG1-CE2 3.82Å; V185-Y189 VanDerWaalsContact O-CD2 3.31Å; V185-Y189 WeakPolarHBondContact O-CD2 3.36Å; V185-Y189 PolarHBondContact O-N 2.95Å
186	L	95.9	Very high	95	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-35.7	179.6	-170.5	58.9	0	0	0	112.1	V41 V54 M182 I183 A188 Y189 C190 I198 C200 L213	V41-L186 HydrophobicContact CG1-CD1 4.48Å; V41-L186 HydrophobicContact CG2-CD1 4.1Å; V54-L186 HydrophobicContact CB-CD2 4.5Å; V54-L186 HydrophobicContact CG2-CD1 4.48Å; V54-L186 HydrophobicContact CG2-CD2 4.27Å; M182-L186 WeakPolarHBondContact O-CB 3.36Å; M182-L186 PolarHBondContact O-N 2.91Å; M182-L186 HydrophobicContact SD-CD2 4.32Å; I183-L186 PolarHBondContact O-N 3.44Å; L186-A188 VanDerWaalsContact C-N 3.26Å; L186-A188 PolarHBondContact O-N 2.82Å; L186-Y189 PolarHBondContact O-N 2.81Å; L186-C190 PolarHBondContact O-N 3.4Å; L186-C190 PolarHBondContact O-SG 3.47Å; L186-I198 HydrophobicContact CD1-CG2 3.91Å; L186-I198 HydrophobicContact CG-CG2 4.45Å; L186-C200 HydrophobicContact CD2-CB 3.66Å; L186-L213 HydrophobicContact CD2-CD1 4.16Å; L186-L213 HydrophobicContact CD2-CD2 4.44Å; L186-L213 HydrophobicContact CG-CD1 4.35Å; L186-L213 HydrophobicContact CG-CD2 4.35Å
187	Q	96.7	Very high	95.1	Very high	37 Å²	37	35.9 Å²	35.9	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-37.8	170.6	-77	171.8	-5.1	0	0	111.9	I183 H184 V185 C190 I191 L213 I228 F229 F287	I183-Q187 HydrophobicContact CG2-CG 4.32Å; I183-Q187 WeakPolarHBondContact O-CB 3.24Å; I183-Q187 WeakPolarHBondContact O-CG 3.44Å; I183-Q187 PolarHBondContact O-N 3.39Å; H184-Q187 PolarHBondContact O-N 3.15Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 2.97Å; Q187-C190 WeakPolarHBondContact O-CB 3.47Å; Q187-C190 PolarHBondContact O-N 3.42Å; Q187-I191 WeakPolarHBondContact O-CD1 3.48Å; Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 2.88Å; Q187-L213 HydrophobicContact CG-CD2 3.77Å; Q187-I228 HydrophobicContact CB-CG2 4.47Å; Q187-I228 HydrophobicContact CG-CG2 3.81Å; Q187-F229 HydrophobicContact CB-CZ 4.4Å; Q187-F229 HydrophobicContact CG-CZ 4.41Å; Q187-F287 HydrophobicContact CB-CE1 4.03Å; Q187-F287 HydrophobicContact CB-CZ 4.12Å
188	A	95.6	Very high	95.2	Very high	8 Å²	8	29.3 Å²	29.3	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-48	176.3	0	0	0	0	0	111.6	H184 V185 L186 I191 V192 F287 F289 P294	H184-A188 PolarHBondContact O-N 2.92Å; V185-A188 VanDerWaalsContact O-CB 3.25Å; V185-A188 WeakPolarHBondContact O-CB 3.31Å; V185-A188 PolarHBondContact O-N 2.96Å; L186-A188 VanDerWaalsContact C-N 3.26Å; L186-A188 PolarHBondContact O-N 2.82Å; A188-I191 PolarHBondContact O-N 2.95Å; A188-V192 WeakPolarHBondContact O-CG1 3.4Å; A188-V192 PolarHBondContact O-N 2.9Å; A188-V192 VanDerWaalsContact O-N 3.15Å; A188-F287 HydrophobicContact CB-CD1 3.86Å; A188-F287 HydrophobicContact CB-CE1 4.49Å; A188-F289 HydrophobicContact CB-CE1 3.99Å; A188-F289 VanDerWaalsContact O-CE1 3.31Å; A188-F289 WeakPolarHBondContact O-CE1 3.34Å; A188-P294 HydrophobicContact CB-CB 3.86Å; A188-P294 HydrophobicContact CB-CG 4.03Å
189	Y	95.1	Very high	95.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-43.1	173.7	-69	-85.5	0	0	0	111.7	K38 V41 E42 I45 F102 V185 L186 I191 V192 S193 P294	K38-Y189 WeakPolarHBondContact CE-OH 3.27Å; K38-Y189 HydrophobicContact CG-CE2 4.1Å; K38-Y189 WeakPolarHBondContact CG-OH 3.39Å; V41-Y189 HydrophobicContact CG1-CG 4.49Å; E42-Y189 HydrophobicContact CG-CE1 3.74Å; E42-Y189 PolarHBondContact OE1-OH 3.08Å; I45-Y189 HydrophobicContact CD1-CD1 4.09Å; F102-Y189 AromaticContact CD1-CE1 3.93Å; F102-Y189 HydrophobicContact CD1-CE1 3.93Å; F102-Y189 HydrophobicContact CE1-CD1 4.41Å; F102-Y189 AromaticContact CE1-CE1 3.76Å; F102-Y189 HydrophobicContact CE1-CE1 3.76Å; V185-Y189 HydrophobicContact CG1-CD2 4.22Å; V185-Y189 HydrophobicContact CG1-CE2 3.82Å; V185-Y189 VanDerWaalsContact O-CD2 3.31Å; V185-Y189 WeakPolarHBondContact O-CD2 3.36Å; V185-Y189 PolarHBondContact O-N 2.95Å; L186-Y189 PolarHBondContact O-N 2.81Å; Y189-I191 PolarHBondContact O-N 2.89Å; Y189-V192 PolarHBondContact O-N 2.78Å; Y189-S193 VanDerWaalsContact O-CB 3.24Å; Y189-S193 WeakPolarHBondContact O-CB 3.37Å; Y189-S193 PolarHBondContact O-N 3.44Å; Y189-S193 PolarHBondContact O-OG 2.97Å; Y189-S193 VanDerWaalsContact O-OG 3.1Å; Y189-P294 HydrophobicContact CD1-CG 4.11Å; Y189-P294 HydrophobicContact CD2-CG 4.16Å; Y189-P294 HydrophobicContact CE1-CG 3.84Å; Y189-P294 HydrophobicContact CE2-CB 4.42Å; Y189-P294 HydrophobicContact CE2-CG 3.86Å; Y189-P294 HydrophobicContact CG-CG 4.25Å
190	C	95.6	Very high	95.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-34.1	174.6	-68.9	0	0	0	0	113.7	L186 Q187 L213 T215 N224 I228	L186-C190 PolarHBondContact O-N 3.4Å; L186-C190 PolarHBondContact O-SG 3.47Å; Q187-C190 WeakPolarHBondContact O-CB 3.47Å; Q187-C190 PolarHBondContact O-N 3.42Å; C190-L213 VanDerWaalsContact SG-CD1 3.57Å; C190-T215 HydrophobicContact CB-CG2 3.59Å; C190-T215 WeakPolarHBondContact O-CG2 3.24Å; C190-N224 VanDerWaalsContact O-CB 3.28Å; C190-N224 WeakPolarHBondContact O-CB 3.43Å; C190-N224 VanDerWaalsContact O-CG 3.28Å; C190-N224 PolarHBondContact O-ND2 3.07Å; C190-N224 VanDerWaalsContact O-ND2 3.1Å; C190-I228 HydrophobicContact CB-CD1 3.75Å; C190-I228 HydrophobicContact CB-CG1 3.92Å
191	I	95.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.5	-50.9	178.3	-69.3	159.7	0	0	0	110.5	Q187 A188 Y189 M221 N224 I225 F229 F287 F289 A320	Q187-I191 WeakPolarHBondContact O-CD1 3.48Å; Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 2.88Å; A188-I191 PolarHBondContact O-N 2.95Å; Y189-I191 PolarHBondContact O-N 2.89Å; I191-M221 HydrophobicContact CG2-CE 4.37Å; I191-M221 HydrophobicContact CG2-CG 3.57Å; I191-M221 HydrophobicContact CG2-SD 3.97Å; I191-N224 PolarHBondContact O-ND2 2.9Å; I191-I225 HydrophobicContact CG1-CG1 4.06Å; I191-I225 HydrophobicContact CG2-CD1 4.27Å; I191-I225 HydrophobicContact CG2-CG1 3.96Å; I191-F229 HydrophobicContact CD1-CE2 3.93Å; I191-F229 HydrophobicContact CD1-CZ 4.37Å; I191-F229 HydrophobicContact CG1-CE2 4.32Å; I191-F287 HydrophobicContact CD1-CB 4.12Å; I191-F287 HydrophobicContact CD1-CD1 4.06Å; I191-F287 HydrophobicContact CD1-CD2 3.36Å; I191-F287 HydrophobicContact CD1-CE1 4.32Å; I191-F287 HydrophobicContact CD1-CE2 3.68Å; I191-F287 HydrophobicContact CD1-CG 3.56Å; I191-F287 HydrophobicContact CD1-CZ 4.16Å; I191-F289 HydrophobicContact CB-CZ 4.07Å; I191-F289 HydrophobicContact CG2-CE2 3.99Å; I191-F289 HydrophobicContact CG2-CZ 3.83Å; I191-A320 HydrophobicContact CG2-CB 4.03Å
192	V	94.1	Very high	95.5	Very high	10 Å²	10	20.3 Å²	20.3	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-85.6	-28.3	-167.7	76.3	0	0	0	0	114.3	A188 Y189 T194 M221 F289 S292 P294	A188-V192 WeakPolarHBondContact O-CG1 3.4Å; A188-V192 PolarHBondContact O-N 2.9Å; A188-V192 VanDerWaalsContact O-N 3.15Å; Y189-V192 PolarHBondContact O-N 2.78Å; V192-T194 VanDerWaalsContact C-N 3.26Å; V192-T194 PolarHBondContact O-N 2.89Å; V192-M221 HydrophobicContact CG2-CE 4.34Å; V192-F289 HydrophobicContact CB-CD1 3.71Å; V192-F289 HydrophobicContact CB-CD2 4.43Å; V192-F289 HydrophobicContact CB-CE1 3.61Å; V192-F289 HydrophobicContact CB-CE2 4.35Å; V192-F289 HydrophobicContact CB-CG 4.14Å; V192-F289 HydrophobicContact CB-CZ 3.95Å; V192-F289 HydrophobicContact CG1-CD1 3.89Å; V192-F289 HydrophobicContact CG1-CE1 3.83Å; V192-F289 HydrophobicContact CG2-CB 4.26Å; V192-F289 HydrophobicContact CG2-CD1 3.83Å; V192-F289 HydrophobicContact CG2-CD2 4.22Å; V192-F289 HydrophobicContact CG2-CE1 4.23Å; V192-F289 HydrophobicContact CG2-CG 3.83Å; V192-S292 WeakPolarHBondContact CG1-O 3.48Å; V192-P294 HydrophobicContact CG1-CG 4.42Å
193	S	92.8	Very high	95.5	Very high	11 Å²	11	22.5 Å²	22.5	8%	0.077	12%	0.118	C	C	.	.			trans	-77.3	71.6	179	-56.8	0	0	0	0	111.8	Y189 V196	Y189-S193 VanDerWaalsContact O-CB 3.24Å; Y189-S193 WeakPolarHBondContact O-CB 3.37Å; Y189-S193 PolarHBondContact O-N 3.44Å; Y189-S193 PolarHBondContact O-OG 2.97Å; Y189-S193 VanDerWaalsContact O-OG 3.1Å; S193-V196 PolarHBondContact O-N 2.87Å
194	T	92.4	Very high	95.2	Very high	64 Å²	64	25.5 Å²	25.5	39%	0.393	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	141	170.8	48.8	0	0	0	0	111.3	V192 V196 S218	V192-T194 VanDerWaalsContact C-N 3.26Å; V192-T194 PolarHBondContact O-N 2.89Å; T194-V196 PolarHBondContact O-N 3.1Å; T194-S218 WeakPolarHBondContact CA-O 3.02Å
195	G	93.1	Very high	94.8	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-11.9	-175.5	0	0	0	0	0	115	G217 S218	G195-G217 WeakPolarHBondContact CA-O 3.46Å; G195-S218 PolarHBondContact N-O 2.92Å
196	V	95.2	Very high	94.3	Very high	18 Å²	18	33.3 Å²	33.3	11%	0.109	18%	0.184	C	C	.	.			trans	-102.3	125.7	178.6	-172.6	0	0	0	0	110.5	V52 S193 T194 I198 T215	V52-V196 HydrophobicContact CG2-CG1 4.18Å; S193-V196 PolarHBondContact O-N 2.87Å; T194-V196 PolarHBondContact O-N 3.1Å; V196-I198 HydrophobicContact CG1-CG1 3.91Å; V196-I198 PolarHBondContact O-N 2.79Å; V196-T215 PolarHBondContact O-OG1 2.92Å; V196-T215 VanDerWaalsContact O-OG1 3.1Å
197	R	96.9	Very high	93.7	Very high	114 Å²	114	35 Å²	35	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.6	169.8	180	171.7	176.6	-167.6	-2.5	109.6	T50 N51 V52 T215	T50-R197 PolarHBondContact O-N 2.96Å; N51-R197 CarbonylContact C-O 3.56Å; N51-R197 WeakPolarHBondContact CA-O 3.23Å; N51-R197 HydrophobicContact CB-CB 4.41Å; N51-R197 WeakPolarHBondContact OD1-CD 3.42Å; N51-R197 WeakPolarHBondContact OD1-CG 3.32Å; V52-R197 PolarHBondContact N-O 3.11Å; R197-T215 WeakPolarHBondContact CA-OG1 3.36Å
198	I	97.3	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.7	174.7	-58.2	-179.1	0	0	0	108.3	V41 V52 L186 V196 S214 T215	V41-I198 HydrophobicContact CG1-CD1 4.48Å; V52-I198 WeakPolarHBondContact O-CA 3.34Å; L186-I198 HydrophobicContact CD1-CG2 3.91Å; L186-I198 HydrophobicContact CG-CG2 4.45Å; V196-I198 HydrophobicContact CG1-CG1 3.91Å; V196-I198 PolarHBondContact O-N 2.79Å; I198-S214 CarbonylContact O-C 3.57Å; I198-S214 WeakPolarHBondContact O-CA 3.26Å; I198-T215 PolarHBondContact N-OG1 2.78Å; I198-T215 PolarHBondContact O-N 2.66Å
199	T	97.4	Very high	93.1	Very high	21 Å²	21	47.8 Å²	47.8	13%	0.129	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.7	180	-50.5	0	0	0	0	109.6	V52 E53 V54	V52-T199 PolarHBondContact O-N 3.26Å; E53-T199 WeakPolarHBondContact CA-O 3.46Å; V54-T199 PolarHBondContact N-O 3.28Å
200	C	97.7	Very high	93.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.4	175.7	-169.7	0	0	0	0	110.9	V54 L186 V212 L213	V54-C200 HydrophobicContact CB-CB 4.44Å; V54-C200 CarbonylContact O-C 3.59Å; V54-C200 WeakPolarHBondContact O-CA 3.14Å; L186-C200 HydrophobicContact CD2-CB 3.66Å; C200-V212 HydrophobicContact CB-CB 4.43Å; C200-V212 PolarHBondContact O-N 2.92Å; C200-L213 HydrophobicContact CB-CD1 3.48Å; C200-L213 VanDerWaalsContact CB-CD1 3.48Å; C200-L213 HydrophobicContact CB-CG 3.73Å; C200-L213 PolarHBondContact N-O 2.85Å; C200-L213 PolarHBondContact O-N 3.44Å
201	S	97.2	Very high	93	Very high	8 Å²	8	54.7 Å²	54.7	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.7	178.7	64.6	0	0	0	0	112.1	V54 L56 R209 S210	V54-S201 PolarHBondContact O-N 3.16Å; V54-S201 PolarHBondContact O-OG 3.2Å; L56-S201 PolarHBondContact N-O 3Å; S201-R209 WeakPolarHBondContact OG-CD 3.41Å; S201-S210 CarbonylContact C-O 3.47Å; S201-S210 WeakPolarHBondContact CA-O 3.37Å; S201-S210 VanDerWaalsContact CB-O 3.32Å; S201-S210 WeakPolarHBondContact CB-O 3.28Å
202	N	96.7	Very high	92.9	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.064	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.7	179.1	-178.8	50.7	0	0	0	111	L56 C59 F179 S210 V212	L56-N202 HydrophobicContact CB-CB 4.4Å; L56-N202 CarbonylContact O-C 3.57Å; L56-N202 WeakPolarHBondContact O-CA 3.26Å; L56-N202 PolarHBondContact O-OD1 2.81Å; C59-N202 VanDerWaalsContact CA-OD1 3.28Å; C59-N202 WeakPolarHBondContact CA-OD1 3.38Å; C59-N202 PolarHBondContact N-OD1 2.9Å; F179-N202 HydrophobicContact CE2-CB 4.38Å; F179-N202 HydrophobicContact CZ-CB 4.45Å; N202-S210 PolarHBondContact N-O 2.82Å; N202-S210 PolarHBondContact O-N 3.07Å; N202-S210 PolarHBondContact O-OG 2.91Å; N202-S210 VanDerWaalsContact O-OG 3.05Å; N202-V212 HydrophobicContact CB-CG2 3.75Å
203	Q	94.7	Very high	93	Very high	46 Å²	46	57.5 Å²	57.5	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.4	175.9	178.7	175.7	-27.1	0	0	109.6	L56 K57 E58 G205 G207 R209	L56-Q203 PolarHBondContact O-N 3.27Å; K57-Q203 CarbonylContact C-O 3.54Å; K57-Q203 WeakPolarHBondContact CA-O 3.36Å; K57-Q203 HydrophobicContact CG-CB 4.47Å; E58-Q203 PolarHBondContact N-O 2.93Å; Q203-G205 WeakPolarHBondContact CG-O 3.21Å; Q203-G205 PolarHBondContact NE2-O 2.79Å; Q203-G207 WeakPolarHBondContact CG-O 3.42Å; Q203-R209 HydrophobicContact CB-CB 4.46Å
204	T	91.1	Very high	93	Very high	83 Å²	83	59 Å²	59	51%	0.509	33%	0.334	S	S	.	.			trans	-116.3	123.5	174.2	-67.2	0	0	0	0	108.4	E58 G207	E58-T204 VanDerWaalsContact OE1-CA 3.31Å; E58-T204 WeakPolarHBondContact OE1-CA 3.46Å; E58-T204 WeakPolarHBondContact OE1-CG2 3.41Å; T204-G207 WeakPolarHBondContact O-CA 3.21Å; T204-G207 PolarHBondContact O-N 2.92Å
205	G	86.6	Confident	93.2	Very high	41 Å²	41	56.3 Å²	56.3	42%	0.423	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-142.6	-170.4	0	0	0	0	0	113.3	E58 Q203 G207	E58-G205 PolarHBondContact OE1-N 3.15Å; Q203-G205 WeakPolarHBondContact CG-O 3.21Å; Q203-G205 PolarHBondContact NE2-O 2.79Å; G205-G207 PolarHBondContact O-N 2.56Å
206	Q	83.9	Confident	93	Very high	203 Å²	203	58.1 Å²	58.1	95%	0.949	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	17.6	170.2	-60.9	-172.4	-8.3	0	0	112.6
207	G	82.4	Confident	92.8	Very high	39 Å²	39	58.2 Å²	58.2	40%	0.402	34%	0.341	S	S	.	.	S	Bend	trans	-70.2	164	176	0	0	0	0	0	113	Q203 T204 G205 R209	Q203-G207 WeakPolarHBondContact CG-O 3.42Å; T204-G207 WeakPolarHBondContact O-CA 3.21Å; T204-G207 PolarHBondContact O-N 2.92Å; G205-G207 PolarHBondContact O-N 2.56Å; G207-R209 PolarHBondContact O-N 3.18Å
208	K	88.6	Confident	92.6	Very high	204 Å²	204	54.6 Å²	54.6	89%	0.887	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-64	130.3	174.8	-175.1	178.3	178.8	178.9	0	110.4	S210	K208-S210 PolarHBondContact O-N 3.23Å
209	R	92.1	Very high	92.3	Very high	109 Å²	109	62.2 Å²	62.2	41%	0.411	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-52.8	124.9	171.3	-177.1	179.5	-68.2	-175.2	0	110.8	S201 Q203 G207	S201-R209 WeakPolarHBondContact OG-CD 3.41Å; Q203-R209 HydrophobicContact CB-CB 4.46Å; G207-R209 PolarHBondContact O-N 3.18Å
210	S	93.3	Very high	92.1	Very high	61 Å²	61	63 Å²	63	43%	0.427	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.1	177.6	63.1	0	0	0	0	110.9	S201 N202 K208	S201-S210 CarbonylContact C-O 3.47Å; S201-S210 WeakPolarHBondContact CA-O 3.37Å; S201-S210 VanDerWaalsContact CB-O 3.32Å; S201-S210 WeakPolarHBondContact CB-O 3.28Å; N202-S210 PolarHBondContact N-O 2.82Å; N202-S210 PolarHBondContact O-N 3.07Å; N202-S210 PolarHBondContact O-OG 2.91Å; N202-S210 VanDerWaalsContact O-OG 3.05Å; K208-S210 PolarHBondContact O-N 3.23Å
211	A	93.9	Very high	91.9	Very high	88 Å²	88	64.3 Å²	64.3	73%	0.727	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.6	169.5	0	0	0	0	0	109.3
212	V	94.3	Very high	91.8	Very high	54 Å²	54	70.1 Å²	70.1	33%	0.327	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-41.9	-178.1	-171.4	0	0	0	0	110.9	F179 I183 C200 N202	F179-V212 HydrophobicContact CZ-CG1 4.01Å; F179-V212 HydrophobicContact CZ-CG2 4.17Å; I183-V212 HydrophobicContact CD1-CB 4.35Å; I183-V212 HydrophobicContact CD1-CG1 3.57Å; I183-V212 HydrophobicContact CG1-CG1 4.09Å; C200-V212 HydrophobicContact CB-CB 4.43Å; C200-V212 PolarHBondContact O-N 2.92Å; N202-V212 HydrophobicContact CB-CG2 3.75Å
213	L	94.6	Very high	91.7	Very high	15 Å²	15	73.6 Å²	73.6	8%	0.079	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160	169.2	56.7	70.3	0	0	0	110.9	I183 L186 Q187 C190 C200 I228	I183-L213 HydrophobicContact CG2-CD2 4.37Å; L186-L213 HydrophobicContact CD2-CD1 4.16Å; L186-L213 HydrophobicContact CD2-CD2 4.44Å; L186-L213 HydrophobicContact CG-CD1 4.35Å; L186-L213 HydrophobicContact CG-CD2 4.35Å; Q187-L213 HydrophobicContact CG-CD2 3.77Å; C190-L213 VanDerWaalsContact SG-CD1 3.57Å; C200-L213 HydrophobicContact CB-CD1 3.48Å; C200-L213 VanDerWaalsContact CB-CD1 3.48Å; C200-L213 HydrophobicContact CB-CG 3.73Å; C200-L213 PolarHBondContact N-O 2.85Å; C200-L213 PolarHBondContact O-N 3.44Å; L213-I228 HydrophobicContact CB-CD1 3.85Å; L213-I228 HydrophobicContact CD1-CD1 4.4Å; L213-I228 HydrophobicContact CD2-CD1 4.37Å; L213-I228 HydrophobicContact CG-CD1 4.43Å
214	S	94.3	Very high	91.7	Very high	43 Å²	43	71.4 Å²	71.4	30%	0.301	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	134.9	170.9	-171.4	0	0	0	0	109.6	I198	I198-S214 CarbonylContact O-C 3.57Å; I198-S214 WeakPolarHBondContact O-CA 3.26Å
215	T	95.1	Very high	91.9	Very high	6 Å²	6	67.4 Å²	67.4	4%	0.037	39%	0.386	C	S	.	.			trans	-89.2	173.3	159.2	67.9	0	0	0	0	110.2	C190 V196 R197 I198 I228	C190-T215 HydrophobicContact CB-CG2 3.59Å; C190-T215 WeakPolarHBondContact O-CG2 3.24Å; V196-T215 PolarHBondContact O-OG1 2.92Å; V196-T215 VanDerWaalsContact O-OG1 3.1Å; R197-T215 WeakPolarHBondContact CA-OG1 3.36Å; I198-T215 PolarHBondContact N-OG1 2.78Å; I198-T215 PolarHBondContact O-N 2.66Å; T215-I228 HydrophobicContact CG2-CD1 4.06Å; T215-I228 HydrophobicContact CG2-CG1 4.24Å
216	G	89.7	Confident	92.3	Very high	56 Å²	56	66.4 Å²	66.4	58%	0.577	38%	0.376	S	S	*	.			trans	-98.5	-4.3	174.6	0	0	0	0	0	115
217	G	90.8	Very high	92.8	Very high	20 Å²	20	59.4 Å²	59.4	21%	0.206	35%	0.352	C	S	.	.			trans	78.3	22.5	-166.4	0	0	0	0	0	113.8	G195	G195-G217 WeakPolarHBondContact CA-O 3.46Å
218	S	92.3	Very high	93.4	Very high	38 Å²	38	58.9 Å²	58.9	27%	0.266	34%	0.34	S	S	.	.			trans	-66.8	143.7	-176.8	-59.2	0	0	0	0	112.6	T194 G195 S220	T194-S218 WeakPolarHBondContact CA-O 3.02Å; G195-S218 PolarHBondContact N-O 2.92Å; S218-S220 PolarHBondContact O-N 2.84Å
219	Q	92.1	Very high	93.6	Very high	159 Å²	159	50.4 Å²	50.4	74%	0.743	30%	0.303	S	S	*	.	S	Bend	trans	-77.5	22.9	176	-60.4	-63	-9.1	0	0	113.5
220	S	92.9	Very high	93.7	Very high	37 Å²	37	46.2 Å²	46.2	26%	0.259	29%	0.294	S	S	.	.			trans	-146.4	119.4	-168.1	169.4	0	0	0	0	110.2	S218 R222 D223 N224	S218-S220 PolarHBondContact O-N 2.84Å; S220-R222 PolarHBondContact O-N 3.2Å; S220-R222 VanDerWaalsContact O-N 3.16Å; S220-R222 VanDerWaalsContact OG-CB 3.31Å; S220-R222 WeakPolarHBondContact OG-CB 3.39Å; S220-R222 PolarHBondContact OG-N 3.04Å; S220-D223 VanDerWaalsContact CB-OD2 3.3Å; S220-D223 WeakPolarHBondContact CB-OD2 3.48Å; S220-D223 PolarHBondContact O-N 3.22Å; S220-N224 PolarHBondContact O-N 2.88Å
221	M	94	Very high	93.5	Very high	29 Å²	29	47.9 Å²	47.9	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-53.8	-33.3	172.3	-176.5	-175.7	-71.9	0	0	111.2	I191 V192 D223 N224 I225 F270 F289 A320 N322	I191-M221 HydrophobicContact CG2-CE 4.37Å; I191-M221 HydrophobicContact CG2-CG 3.57Å; I191-M221 HydrophobicContact CG2-SD 3.97Å; V192-M221 HydrophobicContact CG2-CE 4.34Å; M221-D223 VanDerWaalsContact C-N 3.33Å; M221-D223 PolarHBondContact O-N 3.29Å; M221-N224 PolarHBondContact O-N 3.12Å; M221-I225 HydrophobicContact CG-CD1 3.93Å; M221-I225 HydrophobicContact CG-CG1 4.44Å; M221-I225 WeakPolarHBondContact O-CD1 3.45Å; M221-I225 VanDerWaalsContact O-CG1 3.24Å; M221-I225 WeakPolarHBondContact O-CG1 3.36Å; M221-I225 PolarHBondContact O-N 3.32Å; M221-F270 HydrophobicContact SD-CD2 4.42Å; M221-F289 HydrophobicContact CE-CD2 4.45Å; M221-F289 HydrophobicContact CE-CE2 4.36Å; M221-A320 HydrophobicContact SD-CB 4.31Å; M221-N322 HydrophobicContact CE-CB 4.29Å
222	R	94	Very high	93.2	Very high	130 Å²	130	52.2 Å²	52.2	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-43.9	177.9	-161	-177.2	-169	-172	2.5	112.1	S220 G226 M234 F270	S220-R222 PolarHBondContact O-N 3.2Å; S220-R222 VanDerWaalsContact O-N 3.16Å; S220-R222 VanDerWaalsContact OG-CB 3.31Å; S220-R222 WeakPolarHBondContact OG-CB 3.39Å; S220-R222 PolarHBondContact OG-N 3.04Å; R222-G226 PolarHBondContact O-N 3.18Å; R222-M234 HydrophobicContact CG-CE 3.35Å; R222-M234 HydrophobicContact CG-SD 4.41Å; R222-M234 VanDerWaalsContact O-SD 3.32Å; R222-F270 HydrophobicContact CB-CE1 4.45Å; R222-F270 HydrophobicContact CB-CE2 3.83Å; R222-F270 HydrophobicContact CB-CZ 3.6Å; R222-F270 HydrophobicContact CG-CE1 3.97Å; R222-F270 HydrophobicContact CG-CE2 4.18Å; R222-F270 HydrophobicContact CG-CZ 3.6Å
223	D	94.1	Very high	93	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-78.9	-33.7	-174.3	-55.4	-19	0	0	0	110.3	S220 M221 G226 A227	S220-D223 VanDerWaalsContact CB-OD2 3.3Å; S220-D223 WeakPolarHBondContact CB-OD2 3.48Å; S220-D223 PolarHBondContact O-N 3.22Å; M221-D223 VanDerWaalsContact C-N 3.33Å; M221-D223 PolarHBondContact O-N 3.29Å; D223-G226 CarbonylContact O-C 3.53Å; D223-G226 PolarHBondContact O-N 3.07Å; D223-A227 PolarHBondContact O-N 3.46Å
224	N	95.4	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-47	170.2	-76.7	-10.8	0	0	0	111.9	C190 I191 S220 M221 G226 A227 I228	C190-N224 VanDerWaalsContact O-CB 3.28Å; C190-N224 WeakPolarHBondContact O-CB 3.43Å; C190-N224 VanDerWaalsContact O-CG 3.28Å; C190-N224 PolarHBondContact O-ND2 3.07Å; C190-N224 VanDerWaalsContact O-ND2 3.1Å; I191-N224 PolarHBondContact O-ND2 2.9Å; S220-N224 PolarHBondContact O-N 2.88Å; M221-N224 PolarHBondContact O-N 3.12Å; N224-G226 VanDerWaalsContact C-N 3.28Å; N224-G226 PolarHBondContact O-N 2.84Å; N224-A227 PolarHBondContact O-N 3.34Å; N224-I228 VanDerWaalsContact O-CG1 3.28Å; N224-I228 WeakPolarHBondContact O-CG1 3.27Å; N224-I228 PolarHBondContact O-N 2.68Å
225	I	95.6	Very high	92.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-41.1	173.2	-64.5	162.7	0	0	0	110.3	I191 M221 I228 F229 M234 L237 F270 F318 A320	I191-I225 HydrophobicContact CG1-CG1 4.06Å; I191-I225 HydrophobicContact CG2-CD1 4.27Å; I191-I225 HydrophobicContact CG2-CG1 3.96Å; M221-I225 HydrophobicContact CG-CD1 3.93Å; M221-I225 HydrophobicContact CG-CG1 4.44Å; M221-I225 WeakPolarHBondContact O-CD1 3.45Å; M221-I225 VanDerWaalsContact O-CG1 3.24Å; M221-I225 WeakPolarHBondContact O-CG1 3.36Å; M221-I225 PolarHBondContact O-N 3.32Å; I225-I228 PolarHBondContact O-N 3.47Å; I225-F229 HydrophobicContact CG2-CD2 3.88Å; I225-F229 WeakPolarHBondContact O-CD2 3.47Å; I225-F229 PolarHBondContact O-N 2.92Å; I225-M234 HydrophobicContact CB-SD 3.63Å; I225-M234 HydrophobicContact CG2-SD 3.35Å; I225-M234 WeakPolarHBondContact CG2-SD 3.42Å; I225-L237 HydrophobicContact CG2-CD1 3.81Å; I225-F270 HydrophobicContact CD1-CB 4.28Å; I225-F270 HydrophobicContact CD1-CD2 3.78Å; I225-F270 HydrophobicContact CD1-CG 4.28Å; I225-F318 HydrophobicContact CD1-CE1 4.32Å; I225-F318 HydrophobicContact CG1-CZ 4.38Å; I225-F318 HydrophobicContact CG2-CE1 4.12Å; I225-F318 HydrophobicContact CG2-CE2 4.39Å; I225-F318 HydrophobicContact CG2-CZ 3.65Å; I225-A320 HydrophobicContact CD1-CB 3.73Å
226	G	94.8	Very high	92.4	Very high	20 Å²	20	57 Å²	57	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-39.1	175.6	0	0	0	0	0	114.4	R222 D223 N224 G230 M234	R222-G226 PolarHBondContact O-N 3.18Å; D223-G226 CarbonylContact O-C 3.53Å; D223-G226 PolarHBondContact O-N 3.07Å; N224-G226 VanDerWaalsContact C-N 3.28Å; N224-G226 PolarHBondContact O-N 2.84Å; G226-G230 CarbonylContact O-C 3.57Å; G226-G230 WeakPolarHBondContact O-CA 3.47Å; G226-G230 PolarHBondContact O-N 3.06Å; G226-M234 VanDerWaalsContact CA-CG 3.47Å
227	A	93.9	Very high	92.6	Very high	56 Å²	56	55 Å²	55	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-39.8	176.4	0	0	0	0	0	112.5	D223 N224	D223-A227 PolarHBondContact O-N 3.46Å; N224-A227 PolarHBondContact O-N 3.34Å
228	I	94.9	Very high	92.7	Very high	28 Å²	28	56.6 Å²	56.6	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-80.9	-39.2	-175.2	-62.8	-66.3	0	0	0	112.8	Q187 C190 L213 T215 N224 I225	Q187-I228 HydrophobicContact CB-CG2 4.47Å; Q187-I228 HydrophobicContact CG-CG2 3.81Å; C190-I228 HydrophobicContact CB-CD1 3.75Å; C190-I228 HydrophobicContact CB-CG1 3.92Å; L213-I228 HydrophobicContact CB-CD1 3.85Å; L213-I228 HydrophobicContact CD1-CD1 4.4Å; L213-I228 HydrophobicContact CD2-CD1 4.37Å; L213-I228 HydrophobicContact CG-CD1 4.43Å; T215-I228 HydrophobicContact CG2-CD1 4.06Å; T215-I228 HydrophobicContact CG2-CG1 4.24Å; N224-I228 VanDerWaalsContact O-CG1 3.28Å; N224-I228 WeakPolarHBondContact O-CG1 3.27Å; N224-I228 PolarHBondContact O-N 2.68Å; I225-I228 PolarHBondContact O-N 3.47Å
229	F	94.3	Very high	92.8	Very high	26 Å²	26	57.9 Å²	57.9	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-114.5	-3.4	-174.2	-55.3	-73.9	0	0	0	114.7	Q187 I191 I225 Q233 R285 F287 F318	Q187-F229 HydrophobicContact CB-CZ 4.4Å; Q187-F229 HydrophobicContact CG-CZ 4.41Å; I191-F229 HydrophobicContact CD1-CE2 3.93Å; I191-F229 HydrophobicContact CD1-CZ 4.37Å; I191-F229 HydrophobicContact CG1-CE2 4.32Å; I225-F229 HydrophobicContact CG2-CD2 3.88Å; I225-F229 WeakPolarHBondContact O-CD2 3.47Å; I225-F229 PolarHBondContact O-N 2.92Å; F229-Q233 HydrophobicContact CB-CB 3.63Å; F229-Q233 HydrophobicContact CB-CG 3.71Å; F229-Q233 HydrophobicContact CG-CG 4.37Å; F229-R285 HydrophobicContact CE1-CG 4.13Å; F229-F287 HydrophobicContact CE1-CE2 4.46Å; F229-F287 HydrophobicContact CE1-CZ 4.46Å; F229-F287 HydrophobicContact CE2-CE2 4.06Å; F229-F287 AromaticContact CZ-CE2 3.55Å; F229-F287 HydrophobicContact CZ-CE2 3.55Å; F229-F287 AromaticContact CZ-CZ 3.68Å; F229-F287 HydrophobicContact CZ-CZ 3.68Å; F229-F318 AromaticContact CD2-CE2 3.78Å; F229-F318 HydrophobicContact CD2-CE2 3.78Å; F229-F318 HydrophobicContact CD2-CZ 4.04Å; F229-F318 AromaticContact CE2-CE2 3.79Å; F229-F318 HydrophobicContact CE2-CE2 3.79Å; F229-F318 AromaticContact CE2-CZ 3.94Å; F229-F318 HydrophobicContact CE2-CZ 3.94Å; F229-F318 HydrophobicContact CG-CE2 4.19Å; F229-F318 HydrophobicContact CZ-CE2 4.24Å
230	G	92.6	Very high	93	Very high	21 Å²	21	51.2 Å²	51.2	22%	0.216	28%	0.277	C	S	.	.			trans	81.7	163.8	177.3	0	0	0	0	0	114.7	G226 K232 Q233 M234	G226-G230 CarbonylContact O-C 3.57Å; G226-G230 WeakPolarHBondContact O-CA 3.47Å; G226-G230 PolarHBondContact O-N 3.06Å; G230-K232 PolarHBondContact O-N 3.15Å; G230-K232 VanDerWaalsContact O-N 3.16Å; G230-Q233 PolarHBondContact O-N 3.29Å; G230-M234 PolarHBondContact O-N 2.66Å
231	P	89.4	Confident	93	Very high	96 Å²	96	58 Å²	58	62%	0.623	30%	0.297	S	S	*	.	H	α-helix	trans	-63.5	-26.6	-173.2	24.5	-34.7	0	0	0	113.7	Q233 M234 Q235	P231-Q233 VanDerWaalsContact C-N 3.32Å; P231-Q233 PolarHBondContact O-N 3.48Å; P231-M234 PolarHBondContact O-N 2.66Å; P231-Q235 WeakPolarHBondContact O-CG 3.44Å; P231-Q235 PolarHBondContact O-N 3.15Å; P231-Q235 VanDerWaalsContact O-N 3.11Å
232	K	88.3	Confident	93	Very high	179 Å²	179	60.2 Å²	60.2	78%	0.778	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-36.3	174	-71.9	-170.2	175.8	-173.3	0	112.7	G230 M234	G230-K232 PolarHBondContact O-N 3.15Å; G230-K232 VanDerWaalsContact O-N 3.16Å; K232-M234 VanDerWaalsContact C-N 3.35Å
233	Q	90.6	Very high	92.8	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-37.6	174.5	-176.3	65.8	86.5	0	0	110.3	F229 G230 P231 Q235 S236 L237 F318	F229-Q233 HydrophobicContact CB-CB 3.63Å; F229-Q233 HydrophobicContact CB-CG 3.71Å; F229-Q233 HydrophobicContact CG-CG 4.37Å; G230-Q233 PolarHBondContact O-N 3.29Å; P231-Q233 VanDerWaalsContact C-N 3.32Å; P231-Q233 PolarHBondContact O-N 3.48Å; Q233-Q235 VanDerWaalsContact C-N 3.32Å; Q233-Q235 PolarHBondContact O-N 3.3Å; Q233-S236 PolarHBondContact NE2-OG 3.39Å; Q233-S236 PolarHBondContact O-N 2.94Å; Q233-S236 PolarHBondContact O-OG 3.05Å; Q233-L237 WeakPolarHBondContact O-CG 3.33Å; Q233-F318 VanDerWaalsContact CD-CD2 3.47Å; Q233-F318 HydrophobicContact CG-CD2 3.91Å; Q233-F318 HydrophobicContact CG-CE2 3.97Å
234	M	90.5	Very high	92.5	Very high	23 Å²	23	57.4 Å²	57.4	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-25.4	-179.2	-73.4	-52.3	-39.8	0	0	114.8	R222 I225 G226 G230 P231 K232 S236 L237	R222-M234 HydrophobicContact CG-CE 3.35Å; R222-M234 HydrophobicContact CG-SD 4.41Å; R222-M234 VanDerWaalsContact O-SD 3.32Å; I225-M234 HydrophobicContact CB-SD 3.63Å; I225-M234 HydrophobicContact CG2-SD 3.35Å; I225-M234 WeakPolarHBondContact CG2-SD 3.42Å; G226-M234 VanDerWaalsContact CA-CG 3.47Å; G230-M234 PolarHBondContact O-N 2.66Å; P231-M234 PolarHBondContact O-N 2.66Å; K232-M234 VanDerWaalsContact C-N 3.35Å; M234-S236 PolarHBondContact O-N 3.36Å; M234-L237 HydrophobicContact CE-CB 4.36Å; M234-L237 HydrophobicContact CE-CD1 4.01Å; M234-L237 HydrophobicContact SD-CD1 3.92Å
235	Q	89	Confident	92.1	Very high	163 Å²	163	58.7 Å²	58.7	76%	0.762	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21	177.1	-74.6	167	-8.7	0	0	112.9	P231 Q233	P231-Q235 WeakPolarHBondContact O-CG 3.44Å; P231-Q235 PolarHBondContact O-N 3.15Å; P231-Q235 VanDerWaalsContact O-N 3.11Å; Q233-Q235 VanDerWaalsContact C-N 3.32Å; Q233-Q235 PolarHBondContact O-N 3.3Å
236	S	90.9	Very high	91.6	Very high	18 Å²	18	61.3 Å²	61.3	13%	0.126	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	9.5	-180	52.1	0	0	0	0	115	Q233 M234 S272 T273	Q233-S236 PolarHBondContact NE2-OG 3.39Å; Q233-S236 PolarHBondContact O-N 2.94Å; Q233-S236 PolarHBondContact O-OG 3.05Å; M234-S236 PolarHBondContact O-N 3.36Å; S236-S272 CarbonylContact O-C 3.34Å; S236-S272 WeakPolarHBondContact O-CA 3.31Å; S236-T273 PolarHBondContact O-N 3.21Å
237	L	93.6	Very high	91.1	Very high	12 Å²	12	68 Å²	68	6%	0.063	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.9	-177.2	-58.9	-176.6	0	0	0	113.5	I225 Q233 M234 F270 V271 F318	I225-L237 HydrophobicContact CG2-CD1 3.81Å; Q233-L237 WeakPolarHBondContact O-CG 3.33Å; M234-L237 HydrophobicContact CE-CB 4.36Å; M234-L237 HydrophobicContact CE-CD1 4.01Å; M234-L237 HydrophobicContact SD-CD1 3.92Å; L237-F270 HydrophobicContact CB-CB 4.22Å; L237-F270 HydrophobicContact CB-CD1 4.23Å; L237-F270 HydrophobicContact CD1-CB 4.01Å; L237-V271 CarbonylContact C-O 3.52Å; L237-V271 WeakPolarHBondContact CA-O 3.39Å; L237-F318 HydrophobicContact CD1-CD1 3.8Å; L237-F318 HydrophobicContact CD1-CE1 3.71Å; L237-F318 HydrophobicContact CD1-CZ 4.4Å; L237-F318 HydrophobicContact CD2-CB 3.87Å; L237-F318 HydrophobicContact CD2-CD1 3.42Å; L237-F318 VanDerWaalsContact CD2-CD1 3.42Å; L237-F318 HydrophobicContact CD2-CE1 4.22Å; L237-F318 HydrophobicContact CD2-CG 3.81Å; L237-F318 HydrophobicContact CG-CD1 4.28Å
238	L	93.2	Very high	90.7	Very high	55 Å²	55	71.3 Å²	71.3	29%	0.288	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137	164.8	-60.8	175.8	0	0	0	109.5	F270 V271 T273 M360	L238-F270 VanDerWaalsContact O-CA 3.3Å; L238-F270 WeakPolarHBondContact O-CA 3.01Å; L238-V271 PolarHBondContact N-O 3.15Å; L238-V271 PolarHBondContact O-N 2.97Å; L238-T273 HydrophobicContact CD1-CG2 4.13Å; L238-T273 HydrophobicContact CD2-CG2 3.86Å; L238-T273 HydrophobicContact CG-CG2 3.69Å; L238-M360 HydrophobicContact CB-CE 3.67Å; L238-M360 HydrophobicContact CD1-CE 4.21Å
239	P	95.3	Very high	90.3	Very high	64 Å²	64	70.8 Å²	70.8	42%	0.416	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.8	164.1	29.7	-32.6	0	0	0	109.1	R241 F270 M360	P239-R241 PolarHBondContact O-N 2.89Å; P239-F270 HydrophobicContact CB-CD1 4.26Å; P239-F270 HydrophobicContact CB-CE1 3.85Å; P239-M360 VanDerWaalsContact O-CE 3.28Å; P239-M360 WeakPolarHBondContact O-CE 3.31Å
240	F	95.1	Very high	89.9	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.088	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-63.1	135.2	178.1	-165.8	-88.3	0	0	0	110.6	Q242 L267 G269 L321 L353 L357 M360	F240-Q242 HydrophobicContact CE1-CB 4.2Å; F240-L267 HydrophobicContact CD1-CB 3.77Å; F240-L267 HydrophobicContact CE1-CB 3.43Å; F240-L267 VanDerWaalsContact CE1-CB 3.43Å; F240-L267 HydrophobicContact CE1-CD1 3.68Å; F240-L267 HydrophobicContact CE1-CG 4.21Å; F240-L267 HydrophobicContact CZ-CB 4.27Å; F240-L267 HydrophobicContact CZ-CD1 3.79Å; F240-G269 PolarHBondContact N-O 2.71Å; F240-L321 HydrophobicContact CB-CD1 4.26Å; F240-L321 HydrophobicContact CD1-CD1 4.19Å; F240-L321 HydrophobicContact CD2-CD1 3.7Å; F240-L321 HydrophobicContact CE2-CD1 4.05Å; F240-L321 HydrophobicContact CG-CD1 3.77Å; F240-L321 HydrophobicContact CZ-CD1 4.45Å; F240-L353 HydrophobicContact CE2-CD1 3.69Å; F240-L353 HydrophobicContact CZ-CD1 3.67Å; F240-L357 HydrophobicContact CD2-CD2 4.43Å; F240-L357 HydrophobicContact CE2-CD2 3.86Å; F240-L357 HydrophobicContact CE2-CG 4.13Å; F240-M360 HydrophobicContact CD2-SD 4.01Å; F240-M360 HydrophobicContact CE2-SD 4.37Å; F240-M360 HydrophobicContact CG-SD 4.29Å
241	R	93.2	Very high	89.6	Confident	180 Å²	180	76.8 Å²	76.8	68%	0.679	39%	0.394	S	S	*	.			trans	-124.1	106.6	176.6	-70.3	-175.9	173.3	-164.6	-4.4	108.5	P239 S356 M360	P239-R241 PolarHBondContact O-N 2.89Å; R241-S356 WeakPolarHBondContact O-CB 3.47Å; R241-M360 HydrophobicContact CB-CG 4.24Å; R241-M360 HydrophobicContact CB-SD 4.31Å; R241-M360 PolarHBondContact N-SD 2.57Å
242	Q	93.8	Very high	89.5	Confident	74 Å²	74	77.5 Å²	77.5	35%	0.346	39%	0.389	S	S	.	.			trans	-69.4	136.2	175.8	-173.7	174.7	-11.7	0	0	110.6	F240 F265 L267 I352 S356	F240-Q242 HydrophobicContact CE1-CB 4.2Å; Q242-F265 PolarHBondContact NE2-O 3.03Å; Q242-L267 HydrophobicContact CB-CB 4.36Å; Q242-L267 HydrophobicContact CG-CB 4.47Å; Q242-I352 HydrophobicContact CG-CG2 3.74Å; Q242-S356 WeakPolarHBondContact CA-OG 3.27Å
243	V	90.9	Very high	89.4	Confident	56 Å²	56	71 Å²	71	34%	0.339	36%	0.36	S	S	.	.			trans	-128.7	147.9	172.4	-171.1	0	0	0	0	107.7	S356 N359	V243-S356 PolarHBondContact N-OG 2.87Å; V243-S356 PolarHBondContact O-OG 3.4Å; V243-N359 HydrophobicContact CG2-CB 4.35Å
244	S	87.2	Confident	89.2	Confident	100 Å²	100	72.9 Å²	72.9	70%	0.699	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-54.9	150.1	169.4	-58.5	0	0	0	0	110.9
245	P	87.3	Confident	88.9	Confident	27 Å²	27	72.8 Å²	72.8	18%	0.175	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-65.7	144.1	176.1	30.9	-34.2	0	0	0	110.3	M250 L348 A351 I352 S355	P245-M250 HydrophobicContact CB-CG 3.81Å; P245-M250 HydrophobicContact CB-SD 4.36Å; P245-M250 HydrophobicContact CG-CG 3.86Å; P245-M250 HydrophobicContact CG-SD 3.93Å; P245-L348 HydrophobicContact CG-CD1 4.4Å; P245-A351 HydrophobicContact CB-CB 3.94Å; P245-I352 HydrophobicContact CG-CG1 4.41Å; P245-S355 WeakPolarHBondContact CA-OG 3.33Å
246	S	84.8	Confident	88.4	Confident	55 Å²	55	72.1 Å²	72.1	39%	0.385	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-84	152.6	174.1	61.1	0	0	0	0	111.1	N248 I249 M250 S355	S246-N248 VanDerWaalsContact C-N 3.33Å; S246-N248 PolarHBondContact O-N 2.88Å; S246-I249 CarbonylContact O-C 3.53Å; S246-I249 WeakPolarHBondContact O-CA 3.26Å; S246-I249 PolarHBondContact O-N 2.7Å; S246-M250 PolarHBondContact O-N 3.02Å; S246-S355 PolarHBondContact N-OG 3.49Å
247	E	84.3	Confident	87.2	Confident	160 Å²	160	77.5 Å²	77.5	75%	0.748	41%	0.405	S	S	*	.	H	α-helix	trans	-49.5	-50.6	-176.9	-63.5	172.1	171.1	0	0	112.2	I249 M250 E251	E247-I249 PolarHBondContact O-N 3.2Å; E247-I249 VanDerWaalsContact O-N 3.15Å; E247-M250 WeakPolarHBondContact O-CB 3.49Å; E247-M250 PolarHBondContact O-N 3.02Å; E247-E251 PolarHBondContact O-N 3.28Å
248	N	85.9	Confident	85.8	Confident	126 Å²	126	80.6 Å²	80.6	67%	0.674	44%	0.44	S	S	*	.	H	α-helix	trans	-54.8	-33.6	176.2	-61.9	-19.6	0	0	0	113.8	S246 E252	S246-N248 VanDerWaalsContact C-N 3.33Å; S246-N248 PolarHBondContact O-N 2.88Å; N248-E252 PolarHBondContact O-N 2.88Å
249	I	86.3	Confident	84.2	Confident	16 Å²	16	83.9 Å²	83.9	8%	0.082	46%	0.458	C	S	.	.	H	α-helix	trans	-86	-31.5	179.7	-67.1	175.4	0	0	0	110.4	S246 E247 E252 Y253 A351 K354 S355 I358	S246-I249 CarbonylContact O-C 3.53Å; S246-I249 WeakPolarHBondContact O-CA 3.26Å; S246-I249 PolarHBondContact O-N 2.7Å; E247-I249 PolarHBondContact O-N 3.2Å; E247-I249 VanDerWaalsContact O-N 3.15Å; I249-E252 PolarHBondContact O-N 3.26Å; I249-Y253 HydrophobicContact CG2-CD2 3.94Å; I249-Y253 HydrophobicContact CG2-CE2 3.91Å; I249-Y253 VanDerWaalsContact O-CD2 3.32Å; I249-Y253 WeakPolarHBondContact O-CD2 3.33Å; I249-Y253 PolarHBondContact O-N 2.94Å; I249-A351 HydrophobicContact CG2-CB 4.06Å; I249-K354 HydrophobicContact CD1-CD 4.38Å; I249-K354 HydrophobicContact CD1-CG 4.23Å; I249-K354 HydrophobicContact CG2-CB 4.31Å; I249-K354 HydrophobicContact CG2-CD 4.24Å; I249-S355 WeakPolarHBondContact CD1-OG 3.32Å; I249-I358 HydrophobicContact CD1-CD1 4.02Å
250	M	85.1	Confident	82.7	Confident	18 Å²	18	82.4 Å²	82.4	9%	0.089	45%	0.446	C	S	.	.	H	α-helix	trans	-62.1	-43.9	170	-67.5	170.8	57	0	0	110.9	P245 S246 E247 E252 Y253 G254 L255 D257 L260	P245-M250 HydrophobicContact CB-CG 3.81Å; P245-M250 HydrophobicContact CB-SD 4.36Å; P245-M250 HydrophobicContact CG-CG 3.86Å; P245-M250 HydrophobicContact CG-SD 3.93Å; S246-M250 PolarHBondContact O-N 3.02Å; E247-M250 WeakPolarHBondContact O-CB 3.49Å; E247-M250 PolarHBondContact O-N 3.02Å; M250-E252 PolarHBondContact O-N 2.88Å; M250-Y253 PolarHBondContact O-N 3.33Å; M250-G254 PolarHBondContact O-N 3.23Å; M250-L255 HydrophobicContact CB-CB 4.26Å; M250-L255 PolarHBondContact O-N 2.83Å; M250-D257 HydrophobicContact CE-CB 3.82Å; M250-L260 HydrophobicContact CE-CD1 3.76Å
251	E	86.1	Confident	81.5	Confident	155 Å²	155	84.3 Å²	84.3	72%	0.724	46%	0.46	S	S	*	.	H	α-helix	trans	-59.3	-43.7	172.3	-70.1	-168.7	162.1	0	0	112.3	E247 Y253 G254	E247-E251 PolarHBondContact O-N 3.28Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 3.32Å; E251-G254 PolarHBondContact O-N 3.49Å
252	E	87.9	Confident	80.2	Confident	111 Å²	111	85.3 Å²	85.3	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-57.9	-38.9	179.2	-169.3	-171.5	147.8	0	0	112.9	N248 I249 M250 K354	N248-E252 PolarHBondContact O-N 2.88Å; I249-E252 PolarHBondContact O-N 3.26Å; M250-E252 PolarHBondContact O-N 2.88Å; E252-K354 IonicContact OE1-NZ 2.66Å; E252-K354 PolarHBondContact OE1-NZ 3.38Å; E252-K354 IonicContact OE2-NZ 3.5Å; E252-K354 PolarHBondContact OE2-NZ 2.93Å
253	Y	86.6	Confident	79.1	Confident	43 Å²	43	90.5 Å²	90.5	17%	0.169	49%	0.494	C	S	.	.	H	α-helix	trans	-88.6	-5.7	176.5	-71.2	-74.5	0	0	0	113.7	I249 M250 E251 K347 L350 A351 K354	I249-Y253 HydrophobicContact CG2-CD2 3.94Å; I249-Y253 HydrophobicContact CG2-CE2 3.91Å; I249-Y253 VanDerWaalsContact O-CD2 3.32Å; I249-Y253 WeakPolarHBondContact O-CD2 3.33Å; I249-Y253 PolarHBondContact O-N 2.94Å; M250-Y253 PolarHBondContact O-N 3.33Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 3.32Å; Y253-K347 WeakPolarHBondContact O-CD 3.43Å; Y253-K347 WeakPolarHBondContact O-CE 3.4Å; Y253-K347 PolarHBondContact O-NZ 3.4Å; Y253-L350 HydrophobicContact CD1-CB 4.42Å; Y253-L350 HydrophobicContact CE1-CB 3.79Å; Y253-L350 HydrophobicContact CE1-CD1 4.23Å; Y253-L350 HydrophobicContact CE2-CB 4.44Å; Y253-A351 HydrophobicContact CD2-CB 3.65Å; Y253-A351 HydrophobicContact CE2-CB 4.19Å; Y253-A351 HydrophobicContact CG-CB 4.33Å; Y253-K354 HydrophobicContact CE2-CD 4.14Å
254	G	85	Confident	78.8	Confident	55 Å²	55	89.7 Å²	89.7	57%	0.567	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	42.4	-178.3	0	0	0	0	0	113.3	M250 E251	M250-G254 PolarHBondContact O-N 3.23Å; E251-G254 PolarHBondContact O-N 3.49Å
255	L	84.4	Confident	79	Confident	20 Å²	20	85 Å²	85	11%	0.105	46%	0.455	C	S	.	.			trans	-102.9	147.6	179.6	-57.6	176.6	0	0	0	110.7	M250 L260 K347 L348 A351	M250-L255 HydrophobicContact CB-CB 4.26Å; M250-L255 PolarHBondContact O-N 2.83Å; L255-L260 HydrophobicContact CB-CD1 4.49Å; L255-L260 HydrophobicContact CB-CD2 4.44Å; L255-L260 HydrophobicContact CD2-CD2 4.33Å; L255-K347 HydrophobicContact CD2-CB 3.94Å; L255-K347 HydrophobicContact CD2-CD 4.17Å; L255-L348 HydrophobicContact CD1-CB 4.37Å; L255-L348 HydrophobicContact CD1-CD1 4.34Å; L255-A351 HydrophobicContact CD1-CB 3.86Å
256	K	78.8	Confident	79.3	Confident	150 Å²	150	87.6 Å²	87.6	65%	0.652	47%	0.47	S	S	*	.			trans	-121.7	135.5	176.8	-63.7	178.2	-176.3	172.6	0	110.2	G258 D259 L260	K256-G258 VanDerWaalsContact C-N 3.26Å; K256-G258 PolarHBondContact O-N 3.01Å; K256-D259 PolarHBondContact O-N 2.72Å; K256-D259 VanDerWaalsContact O-N 3.12Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å
257	D	67.2	Low	79.8	Confident	131 Å²	131	85.4 Å²	85.4	70%	0.701	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-61	-30.5	-171.5	-163	50.3	0	0	0	114.4	M250 D259	M250-D257 HydrophobicContact CE-CB 3.82Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D257-D259 PolarHBondContact O-N 2.74Å
258	G	62.4	Low	80.2	Confident	77 Å²	77	80.1 Å²	80.1	79%	0.794	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-72	-21.2	178.4	0	0	0	0	0	115.4	K256	K256-G258 VanDerWaalsContact C-N 3.26Å; K256-G258 PolarHBondContact O-N 3.01Å
259	D	60.1	Low	80.7	Confident	124 Å²	124	74.7 Å²	74.7	66%	0.663	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-98.1	-2.7	-173.8	-59.7	-45	0	0	0	112.7	K256 D257	K256-D259 PolarHBondContact O-N 2.72Å; K256-D259 VanDerWaalsContact O-N 3.12Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D257-D259 PolarHBondContact O-N 2.74Å
260	L	65.2	Low	81.2	Confident	33 Å²	33	75.1 Å²	75.1	17%	0.173	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-92.4	124	-168.6	-68.4	178.7	0	0	0	114	M250 L255 K256 K262 L348	M250-L260 HydrophobicContact CE-CD1 3.76Å; L255-L260 HydrophobicContact CB-CD1 4.49Å; L255-L260 HydrophobicContact CB-CD2 4.44Å; L255-L260 HydrophobicContact CD2-CD2 4.33Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; L260-K262 PolarHBondContact O-N 3.4Å; L260-L348 HydrophobicContact CD1-CD1 4.02Å; L260-L348 HydrophobicContact CD2-CD1 4.03Å; L260-L348 HydrophobicContact CD2-CD2 4.23Å; L260-L348 HydrophobicContact CD2-CG 4.49Å
261	P	68.2	Low	81.7	Confident	59 Å²	59	74.4 Å²	74.4	38%	0.383	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-68.3	120.7	172.7	27.2	-33.1	0	0	0	111	Q263 L264	P261-Q263 PolarHBondContact O-N 3.11Å; P261-L264 HydrophobicContact CB-CB 4.39Å; P261-L264 HydrophobicContact CB-CD1 3.94Å; P261-L264 HydrophobicContact CG-CB 4.17Å; P261-L264 HydrophobicContact CG-CD1 3.51Å; P261-L264 HydrophobicContact CG-CG 4.47Å
262	K	66.6	Low	82.1	Confident	202 Å²	202	67 Å²	67	88%	0.878	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	131.1	-176.8	-64.8	-180	-179.7	178.3	0	110.6	L260 L264	L260-K262 PolarHBondContact O-N 3.4Å; K262-L264 PolarHBondContact O-N 2.91Å
263	Q	71.5	Confident	82.3	Confident	183 Å²	183	62.8 Å²	62.8	86%	0.855	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	19.8	175.4	-57.4	-179	-21.2	0	0	116.9	P261 F265	P261-Q263 PolarHBondContact O-N 3.11Å; Q263-F265 PolarHBondContact O-N 3.42Å; Q263-F265 VanDerWaalsContact O-N 3.14Å
264	L	83.7	Confident	82.2	Confident	39 Å²	39	61.5 Å²	61.5	20%	0.204	35%	0.353	C	S	.	.			trans	-59.4	-26.8	-179.1	-166.3	143.5	0	0	0	114.6	P261 K262 V325	P261-L264 HydrophobicContact CB-CB 4.39Å; P261-L264 HydrophobicContact CB-CD1 3.94Å; P261-L264 HydrophobicContact CG-CB 4.17Å; P261-L264 HydrophobicContact CG-CD1 3.51Å; P261-L264 HydrophobicContact CG-CG 4.47Å; K262-L264 PolarHBondContact O-N 2.91Å; L264-V325 HydrophobicContact CD2-CG2 3.86Å
265	F	91.1	Very high	82.1	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.3	175.6	-62.1	-74.5	0	0	0	112.1	Q242 Q263 I323 V325 Q344 E345 L348 L349 I352	Q242-F265 PolarHBondContact NE2-O 3.03Å; Q263-F265 PolarHBondContact O-N 3.42Å; Q263-F265 VanDerWaalsContact O-N 3.14Å; F265-I323 HydrophobicContact CD1-CG2 3.98Å; F265-V325 HydrophobicContact CD1-CB 3.94Å; F265-V325 HydrophobicContact CD1-CG2 4.05Å; F265-V325 HydrophobicContact CE1-CB 4.13Å; F265-V325 HydrophobicContact CE1-CG2 3.86Å; F265-Q344 WeakPolarHBondContact CZ-O 3.43Å; F265-E345 HydrophobicContact CE2-CB 4.46Å; F265-L348 HydrophobicContact CD2-CD2 4.32Å; F265-L348 HydrophobicContact CD2-CG 4.3Å; F265-L348 HydrophobicContact CE2-CB 4.26Å; F265-L348 HydrophobicContact CE2-CD2 4.32Å; F265-L348 HydrophobicContact CE2-CG 4.33Å; F265-L349 HydrophobicContact CD1-CB 4.32Å; F265-L349 HydrophobicContact CD1-CD1 4.16Å; F265-L349 HydrophobicContact CD2-CB 4.03Å; F265-L349 HydrophobicContact CE1-CB 4.08Å; F265-L349 HydrophobicContact CE1-CD2 4.28Å; F265-L349 HydrophobicContact CE2-CB 3.76Å; F265-L349 HydrophobicContact CG-CB 4.3Å; F265-L349 HydrophobicContact CG-CD1 4.25Å; F265-L349 HydrophobicContact CZ-CB 3.79Å; F265-I352 HydrophobicContact CB-CD1 4.33Å; F265-I352 HydrophobicContact CD2-CD1 4.19Å
266	T	93.5	Very high	82	Confident	80 Å²	80	69.5 Å²	69.5	49%	0.491	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	168.8	-66.9	0	0	0	0	110.4	A324	T266-A324 PolarHBondContact N-O 3.2Å; T266-A324 PolarHBondContact O-N 3.06Å
267	L	94.8	Very high	82	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.4	-175	-58.8	-175.3	0	0	0	111.4	F240 Q242 I323 L349 I352 L353	F240-L267 HydrophobicContact CD1-CB 3.77Å; F240-L267 HydrophobicContact CE1-CB 3.43Å; F240-L267 VanDerWaalsContact CE1-CB 3.43Å; F240-L267 HydrophobicContact CE1-CD1 3.68Å; F240-L267 HydrophobicContact CE1-CG 4.21Å; F240-L267 HydrophobicContact CZ-CB 4.27Å; F240-L267 HydrophobicContact CZ-CD1 3.79Å; Q242-L267 HydrophobicContact CB-CB 4.36Å; Q242-L267 HydrophobicContact CG-CB 4.47Å; L267-I323 HydrophobicContact CD2-CB 4.1Å; L267-I323 HydrophobicContact CD2-CG1 3.72Å; L267-I323 HydrophobicContact CD2-CG2 3.97Å; L267-L349 HydrophobicContact CD2-CD1 3.79Å; L267-I352 HydrophobicContact CD1-CG2 3.76Å; L267-L353 HydrophobicContact CD1-CB 4.38Å; L267-L353 HydrophobicContact CD1-CD1 4.35Å
268	S	94.8	Very high	82.9	Confident	49 Å²	49	60.9 Å²	60.9	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.2	-177.6	56.7	0	0	0	0	111	N322	S268-N322 PolarHBondContact N-O 2.91Å; S268-N322 PolarHBondContact O-N 2.72Å; S268-N322 PolarHBondContact OG-O 2.73Å
269	G	95.4	Very high	84.1	Confident	11 Å²	11	57.7 Å²	57.7	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-153	178.9	0	0	0	0	0	114.7	F240 A320	F240-G269 PolarHBondContact N-O 2.71Å; G269-A320 CarbonylContact C-O 3.53Å; G269-A320 WeakPolarHBondContact CA-O 3.39Å
270	F	96.3	Very high	85.6	Confident	26 Å²	26	54.7 Å²	54.7	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.7	-176.3	-67.1	-84.9	0	0	0	112.3	M221 R222 I225 L237 L238 P239 A320	M221-F270 HydrophobicContact SD-CD2 4.42Å; R222-F270 HydrophobicContact CB-CE1 4.45Å; R222-F270 HydrophobicContact CB-CE2 3.83Å; R222-F270 HydrophobicContact CB-CZ 3.6Å; R222-F270 HydrophobicContact CG-CE1 3.97Å; R222-F270 HydrophobicContact CG-CE2 4.18Å; R222-F270 HydrophobicContact CG-CZ 3.6Å; I225-F270 HydrophobicContact CD1-CB 4.28Å; I225-F270 HydrophobicContact CD1-CD2 3.78Å; I225-F270 HydrophobicContact CD1-CG 4.28Å; L237-F270 HydrophobicContact CB-CB 4.22Å; L237-F270 HydrophobicContact CB-CD1 4.23Å; L237-F270 HydrophobicContact CD1-CB 4.01Å; L238-F270 VanDerWaalsContact O-CA 3.3Å; L238-F270 WeakPolarHBondContact O-CA 3.01Å; P239-F270 HydrophobicContact CB-CD1 4.26Å; P239-F270 HydrophobicContact CB-CE1 3.85Å; F270-A320 PolarHBondContact N-O 3.22Å; F270-A320 PolarHBondContact O-N 3.34Å
271	V	95.9	Very high	86.9	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150	176.2	71.9	0	0	0	0	110.9	L237 L238 P317 F318 V319 L357 M360 Y361	L237-V271 CarbonylContact C-O 3.52Å; L237-V271 WeakPolarHBondContact CA-O 3.39Å; L238-V271 PolarHBondContact N-O 3.15Å; L238-V271 PolarHBondContact O-N 2.97Å; V271-P317 HydrophobicContact CG2-CB 4.03Å; V271-F318 WeakPolarHBondContact CA-O 3.39Å; V271-V319 HydrophobicContact CG2-CG2 4.34Å; V271-L357 HydrophobicContact CG1-CD2 4.35Å; V271-M360 HydrophobicContact CG1-CE 3.71Å; V271-Y361 WeakPolarHBondContact CG2-OH 3.44Å
272	S	94.8	Very high	88	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	145.8	172	-82.3	0	0	0	0	112.4	S236 F318 Y361	S236-S272 CarbonylContact O-C 3.34Å; S236-S272 WeakPolarHBondContact O-CA 3.31Å; S272-F318 PolarHBondContact N-O 3Å; S272-F318 WeakPolarHBondContact OG-CB 3.28Å; S272-F318 PolarHBondContact OG-N 2.76Å; S272-Y361 WeakPolarHBondContact O-CE1 3.37Å; S272-Y361 PolarHBondContact O-OH 2.87Å
273	T	91.8	Very high	89.2	Confident	21 Å²	21	50.9 Å²	50.9	13%	0.129	30%	0.304	C	S	.	.			trans	-62.2	153.9	162.9	63.8	0	0	0	0	111.1	S236 L238 D275 V278 Y308	S236-T273 PolarHBondContact O-N 3.21Å; L238-T273 HydrophobicContact CD1-CG2 4.13Å; L238-T273 HydrophobicContact CD2-CG2 3.86Å; L238-T273 HydrophobicContact CG-CG2 3.69Å; T273-D275 WeakPolarHBondContact CB-OD2 3.44Å; T273-D275 PolarHBondContact O-N 3.36Å; T273-D275 PolarHBondContact OG1-OD2 3.32Å; T273-V278 WeakPolarHBondContact OG1-CG1 3.32Å; T273-Y308 WeakPolarHBondContact O-CE2 3.39Å; T273-Y308 PolarHBondContact O-OH 3.26Å
274	G	84.6	Confident	90.1	Very high	17 Å²	17	45.3 Å²	45.3	18%	0.175	28%	0.28	C	S	.	.	S	Bend	trans	-76.5	6.5	176.3	0	0	0	0	0	114.5
275	D	83.9	Confident	90.7	Very high	83 Å²	83	46.3 Å²	46.3	44%	0.444	28%	0.281	S	S	.	.			trans	-69.6	144.2	-174.5	-51.1	-54	0	0	0	111.7	T273 G277 V278 N312	T273-D275 WeakPolarHBondContact CB-OD2 3.44Å; T273-D275 PolarHBondContact O-N 3.36Å; T273-D275 PolarHBondContact OG1-OD2 3.32Å; D275-G277 PolarHBondContact O-N 3.37Å; D275-V278 HydrophobicContact CB-CB 4.2Å; D275-V278 HydrophobicContact CB-CG2 3.75Å; D275-V278 WeakPolarHBondContact O-CB 3.45Å; D275-V278 PolarHBondContact O-N 3.05Å; D275-N312 PolarHBondContact O-ND2 3.35Å
276	H	80.8	Confident	90.9	Very high	160 Å²	160	46.9 Å²	46.9	74%	0.741	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	133.4	-179.7	-171.7	81.7	0	0	0	112	V278	H276-V278 VanDerWaalsContact C-N 3.26Å; H276-V278 PolarHBondContact O-N 2.97Å
277	G	79.4	Confident	91.1	Very high	47 Å²	47	43.3 Å²	43.3	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-14.2	-179.3	0	0	0	0	0	114.8	D275 Q315	D275-G277 PolarHBondContact O-N 3.37Å; G277-Q315 PolarHBondContact O-NE2 2.86Å; G277-Q315 VanDerWaalsContact O-NE2 3.15Å
278	V	85.9	Confident	91.1	Very high	52 Å²	52	43.3 Å²	43.3	32%	0.315	26%	0.261	S	S	.	.			trans	-83.5	-16.8	-173.2	179.3	0	0	0	0	113.8	T273 D275 H276	T273-V278 WeakPolarHBondContact OG1-CG1 3.32Å; D275-V278 HydrophobicContact CB-CB 4.2Å; D275-V278 HydrophobicContact CB-CG2 3.75Å; D275-V278 WeakPolarHBondContact O-CB 3.45Å; D275-V278 PolarHBondContact O-N 3.05Å; H276-V278 VanDerWaalsContact C-N 3.26Å; H276-V278 PolarHBondContact O-N 2.97Å
279	G	87.4	Confident	91.1	Very high	11 Å²	11	41 Å²	41	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	-78.2	-171.3	177.6	0	0	0	0	0	115.1	Q315	G279-Q315 PolarHBondContact O-NE2 2.98Å; G279-Q315 VanDerWaalsContact O-NE2 3.13Å
280	R	91.7	Very high	90.9	Very high	61 Å²	61	40.7 Å²	40.7	23%	0.23	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-99.3	153.4	178.4	-56.3	-63	-61.9	142.9	1.2	111.1	A282 D284 Q315 Y316	R280-A282 VanDerWaalsContact C-N 3.25Å; R280-A282 WeakPolarHBondContact CB-O 3.31Å; R280-A282 PolarHBondContact O-N 3.42Å; R280-D284 IonicContact CZ-OD1 3.11Å; R280-D284 IonicContact CZ-OD2 3.89Å; R280-D284 IonicContact NE-OD1 3.23Å; R280-D284 PolarHBondContact NE-OD1 2.88Å; R280-D284 IonicContact NE-OD2 3.98Å; R280-D284 VanDerWaalsContact NH2-CG 3.29Å; R280-D284 IonicContact NH2-OD1 2.92Å; R280-D284 PolarHBondContact NH2-OD1 3.35Å; R280-D284 VanDerWaalsContact NH2-OD1 3.1Å; R280-D284 IonicContact NH2-OD2 2.77Å; R280-D284 PolarHBondContact NH2-OD2 2.84Å; R280-Q315 CarbonylContact O-C 3.52Å; R280-Q315 WeakPolarHBondContact O-CA 3.47Å; R280-Q315 VanDerWaalsContact O-CB 3.29Å; R280-Q315 WeakPolarHBondContact O-CB 3.45Å; R280-Y316 WeakPolarHBondContact CB-O 3.5Å; R280-Y316 PolarHBondContact N-O 3.32Å; R280-Y316 PolarHBondContact O-N 3.4Å
281	S	92.1	Very high	90.6	Very high	107 Å²	107	42.6 Å²	42.6	75%	0.748	25%	0.252	S	S	*	.	S	Bend	trans	-75.8	-10.8	172	51	0	0	0	0	114.3
282	A	92.3	Very high	90.4	Very high	43 Å²	43	44.9 Å²	44.9	36%	0.355	27%	0.268	S	S	.	.	S	Bend	trans	-155	167	178.2	0	0	0	0	0	109.7	R280 D284	R280-A282 VanDerWaalsContact C-N 3.25Å; R280-A282 WeakPolarHBondContact CB-O 3.31Å; R280-A282 PolarHBondContact O-N 3.42Å; A282-D284 PolarHBondContact O-N 3.2Å
283	S	91.6	Very high	90.1	Very high	63 Å²	63	45.6 Å²	45.6	44%	0.441	27%	0.271	S	S	.	.	S	Bend	trans	-72.8	38.3	174.6	62	0	0	0	0	113.7	R285	S283-R285 VanDerWaalsContact C-N 3.29Å; S283-R285 PolarHBondContact O-N 2.83Å
284	D	90.9	Very high	90.1	Very high	67 Å²	67	45.2 Å²	45.2	36%	0.358	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.4	-170.4	78.7	-45.7	0	0	0	114.5	H184 R280 A282	H184-D284 PolarHBondContact ND1-O 3.25Å; R280-D284 IonicContact CZ-OD1 3.11Å; R280-D284 IonicContact CZ-OD2 3.89Å; R280-D284 IonicContact NE-OD1 3.23Å; R280-D284 PolarHBondContact NE-OD1 2.88Å; R280-D284 IonicContact NE-OD2 3.98Å; R280-D284 VanDerWaalsContact NH2-CG 3.29Å; R280-D284 IonicContact NH2-OD1 2.92Å; R280-D284 PolarHBondContact NH2-OD1 3.35Å; R280-D284 VanDerWaalsContact NH2-OD1 3.1Å; R280-D284 IonicContact NH2-OD2 2.77Å; R280-D284 PolarHBondContact NH2-OD2 2.84Å; A282-D284 PolarHBondContact O-N 3.2Å
285	R	95.1	Very high	90.4	Very high	59 Å²	59	44.6 Å²	44.6	22%	0.223	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	55.9	-177.6	-62.9	178	-174.8	-160.4	-12.1	111.1	F229 S283 F287 F318 V319	F229-R285 HydrophobicContact CE1-CG 4.13Å; S283-R285 VanDerWaalsContact C-N 3.29Å; S283-R285 PolarHBondContact O-N 2.83Å; R285-F287 HydrophobicContact CB-CE2 3.99Å; R285-F318 HydrophobicContact CB-CD2 3.49Å; R285-F318 VanDerWaalsContact CB-CD2 3.49Å; R285-F318 HydrophobicContact CB-CE2 3.84Å; R285-F318 HydrophobicContact CB-CG 4.36Å; R285-F318 HydrophobicContact CG-CD2 4.26Å; R285-F318 HydrophobicContact CG-CE2 4.45Å; R285-F318 WeakPolarHBondContact O-CA 3.49Å; R285-V319 PolarHBondContact O-N 3.24Å
286	Q	96.3	Very high	90.6	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	111	175.4	-59.9	-168.3	-13.5	0	0	108.8	F288 N305 P317 V319	Q286-F288 HydrophobicContact CB-CE2 3.9Å; Q286-F288 HydrophobicContact CB-CZ 4.43Å; Q286-N305 PolarHBondContact NE2-OD1 3.23Å; Q286-N305 PolarHBondContact OE1-ND2 3.24Å; Q286-P317 WeakPolarHBondContact CG-O 3.25Å; Q286-P317 PolarHBondContact NE2-O 2.66Å; Q286-V319 HydrophobicContact CB-CB 4.23Å; Q286-V319 HydrophobicContact CB-CG2 4.35Å; Q286-V319 HydrophobicContact CG-CB 4.26Å; Q286-V319 HydrophobicContact CG-CG2 3.92Å
287	F	96.7	Very high	91.1	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.5	-175.2	-52.6	-79.7	0	0	0	108.6	H184 Q187 A188 I191 F229 R285 F289 F318 V319 A320 L321	H184-F287 AromaticContact CE1-CE1 3.43Å; H184-F287 VanDerWaalsContact CE1-CE1 3.43Å; H184-F287 WeakPolarHBondContact CE1-CE1 3.47Å; H184-F287 AromaticContact CE1-CZ 3.88Å; H184-F287 AromaticContact ND1-CE1 3.6Å; H184-F287 AromaticContact ND1-CZ 3.9Å; H184-F287 AromaticContact NE2-CE1 4Å; Q187-F287 HydrophobicContact CB-CE1 4.03Å; Q187-F287 HydrophobicContact CB-CZ 4.12Å; A188-F287 HydrophobicContact CB-CD1 3.86Å; A188-F287 HydrophobicContact CB-CE1 4.49Å; I191-F287 HydrophobicContact CD1-CB 4.12Å; I191-F287 HydrophobicContact CD1-CD1 4.06Å; I191-F287 HydrophobicContact CD1-CD2 3.36Å; I191-F287 HydrophobicContact CD1-CE1 4.32Å; I191-F287 HydrophobicContact CD1-CE2 3.68Å; I191-F287 HydrophobicContact CD1-CG 3.56Å; I191-F287 HydrophobicContact CD1-CZ 4.16Å; F229-F287 HydrophobicContact CE1-CE2 4.46Å; F229-F287 HydrophobicContact CE1-CZ 4.46Å; F229-F287 HydrophobicContact CE2-CE2 4.06Å; F229-F287 AromaticContact CZ-CE2 3.55Å; F229-F287 HydrophobicContact CZ-CE2 3.55Å; F229-F287 AromaticContact CZ-CZ 3.68Å; F229-F287 HydrophobicContact CZ-CZ 3.68Å; R285-F287 HydrophobicContact CB-CE2 3.99Å; F287-F289 HydrophobicContact CB-CE2 4.04Å; F287-F289 HydrophobicContact CB-CZ 3.69Å; F287-F318 HydrophobicContact CD2-CZ 4.43Å; F287-F318 HydrophobicContact CE2-CE2 4.33Å; F287-F318 HydrophobicContact CE2-CZ 4.43Å; F287-V319 WeakPolarHBondContact CD2-O 3.49Å; F287-V319 PolarHBondContact N-O 3.3Å; F287-A320 VanDerWaalsContact O-CA 3.32Å; F287-A320 WeakPolarHBondContact O-CA 3.46Å; F287-L321 PolarHBondContact O-N 3.44Å
288	F	95.9	Very high	91.6	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.5	-179.9	-60.7	-81.8	0	0	0	109.5	Q286 C295 P297 V300 V304 V319 L321	Q286-F288 HydrophobicContact CB-CE2 3.9Å; Q286-F288 HydrophobicContact CB-CZ 4.43Å; F288-C295 PolarHBondContact O-N 3.22Å; F288-C295 PolarHBondContact O-SG 2.89Å; F288-P297 HydrophobicContact CB-CG 3.66Å; F288-P297 HydrophobicContact CD1-CG 4.33Å; F288-P297 HydrophobicContact CD2-CG 4.42Å; F288-P297 HydrophobicContact CG-CG 3.9Å; F288-V300 HydrophobicContact CD1-CG1 3.76Å; F288-V300 HydrophobicContact CE1-CG1 3.71Å; F288-V304 HydrophobicContact CE1-CG2 4.11Å; F288-V304 HydrophobicContact CZ-CG2 4.44Å; F288-V319 HydrophobicContact CD1-CG1 4.33Å; F288-V319 HydrophobicContact CE1-CB 4.5Å; F288-V319 HydrophobicContact CE1-CG1 3.65Å; F288-V319 HydrophobicContact CZ-CB 4.28Å; F288-V319 HydrophobicContact CZ-CG1 3.92Å; F288-V319 HydrophobicContact CZ-CG2 4.43Å; F288-L321 WeakPolarHBondContact CA-O 3.17Å; F288-L321 HydrophobicContact CD1-CB 4.26Å
289	F	94.4	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.6	-179.8	-41.4	-83.4	0	0	0	109.4	A188 I191 V192 M221 F287 R293 P294 L321 N322 I323	A188-F289 HydrophobicContact CB-CE1 3.99Å; A188-F289 VanDerWaalsContact O-CE1 3.31Å; A188-F289 WeakPolarHBondContact O-CE1 3.34Å; I191-F289 HydrophobicContact CB-CZ 4.07Å; I191-F289 HydrophobicContact CG2-CE2 3.99Å; I191-F289 HydrophobicContact CG2-CZ 3.83Å; V192-F289 HydrophobicContact CB-CD1 3.71Å; V192-F289 HydrophobicContact CB-CD2 4.43Å; V192-F289 HydrophobicContact CB-CE1 3.61Å; V192-F289 HydrophobicContact CB-CE2 4.35Å; V192-F289 HydrophobicContact CB-CG 4.14Å; V192-F289 HydrophobicContact CB-CZ 3.95Å; V192-F289 HydrophobicContact CG1-CD1 3.89Å; V192-F289 HydrophobicContact CG1-CE1 3.83Å; V192-F289 HydrophobicContact CG2-CB 4.26Å; V192-F289 HydrophobicContact CG2-CD1 3.83Å; V192-F289 HydrophobicContact CG2-CD2 4.22Å; V192-F289 HydrophobicContact CG2-CE1 4.23Å; V192-F289 HydrophobicContact CG2-CG 3.83Å; M221-F289 HydrophobicContact CE-CD2 4.45Å; M221-F289 HydrophobicContact CE-CE2 4.36Å; F287-F289 HydrophobicContact CB-CE2 4.04Å; F287-F289 HydrophobicContact CB-CZ 3.69Å; F289-R293 VanDerWaalsContact CA-O 3.24Å; F289-R293 WeakPolarHBondContact CA-O 3.14Å; F289-P294 HydrophobicContact CD1-CB 4.14Å; F289-P294 HydrophobicContact CD1-CG 3.9Å; F289-P294 HydrophobicContact CE1-CB 4.25Å; F289-P294 HydrophobicContact CE1-CG 3.98Å; F289-L321 WeakPolarHBondContact CD2-O 3.4Å; F289-L321 PolarHBondContact N-O 3.35Å; F289-N322 HydrophobicContact CB-CB 4.13Å; F289-N322 WeakPolarHBondContact CB-OD1 3.36Å; F289-N322 HydrophobicContact CD2-CB 4.22Å; F289-N322 WeakPolarHBondContact O-CA 3.19Å; F289-I323 PolarHBondContact O-N 2.78Å
290	I	91.9	Very high	92.2	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.2	167.6	-69.5	163.8	0	0	0	106.1	S292 R293 I323 V325 V330 I341 L343	I290-S292 VanDerWaalsContact C-N 3.26Å; I290-S292 PolarHBondContact O-N 2.9Å; I290-R293 PolarHBondContact N-O 3.3Å; I290-R293 VanDerWaalsContact O-CB 3.27Å; I290-R293 WeakPolarHBondContact O-CB 3.49Å; I290-R293 PolarHBondContact O-N 3.38Å; I290-I323 WeakPolarHBondContact CA-O 3.42Å; I290-I323 HydrophobicContact CG1-CB 4.23Å; I290-I323 HydrophobicContact CG1-CD1 4.06Å; I290-V325 HydrophobicContact CG2-CG1 4.17Å; I290-V330 HydrophobicContact CG2-CG1 4.13Å; I290-V330 HydrophobicContact CG2-CG2 4.43Å; I290-I341 HydrophobicContact CB-CD1 4.1Å; I290-I341 HydrophobicContact CD1-CB 4.09Å; I290-I341 HydrophobicContact CD1-CD1 4.14Å; I290-I341 HydrophobicContact CD1-CG2 3.99Å; I290-I341 HydrophobicContact CG2-CG2 4.42Å; I290-L343 HydrophobicContact CD1-CD1 3.96Å; I290-L343 HydrophobicContact CD1-CD2 4.26Å; I290-L343 HydrophobicContact CD1-CG 4.31Å; I290-L343 HydrophobicContact CG2-CD2 4.17Å
291	N	90.1	Very high	92.3	Very high	67 Å²	67	40.8 Å²	40.8	36%	0.358	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	51.3	-172.1	-66.3	-11.4	0	0	0	112.1	R293 I323 A324 V325	N291-R293 PolarHBondContact O-N 2.82Å; N291-I323 PolarHBondContact N-O 2.89Å; N291-A324 WeakPolarHBondContact OD1-CA 3.14Å; N291-V325 PolarHBondContact ND2-O 2.96Å; N291-V325 PolarHBondContact OD1-N 3.34Å; N291-V325 PolarHBondContact OD1-O 2.92Å; N291-V325 VanDerWaalsContact OD1-O 3.06Å
292	S	90.2	Very high	92.5	Very high	51 Å²	51	42.3 Å²	42.3	36%	0.357	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	0.8	-176.2	-58.3	0	0	0	0	116.9	V192 I290 P294 N322	V192-S292 WeakPolarHBondContact CG1-O 3.48Å; I290-S292 VanDerWaalsContact C-N 3.26Å; I290-S292 PolarHBondContact O-N 2.9Å; S292-P294 WeakPolarHBondContact O-CD 3.4Å; S292-N322 PolarHBondContact N-OD1 2.78Å
293	R	88.9	Confident	92.7	Very high	15 Å²	15	40.6 Å²	40.6	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.5	176.2	-172.7	-177.8	-61.2	-86.4	3.5	111.8	T101 F102 F289 I290 N291 C295	T101-R293 PolarHBondContact O-NH2 3.38Å; F102-R293 PolarHBondContact O-NH1 2.88Å; F289-R293 VanDerWaalsContact CA-O 3.24Å; F289-R293 WeakPolarHBondContact CA-O 3.14Å; I290-R293 PolarHBondContact N-O 3.3Å; I290-R293 VanDerWaalsContact O-CB 3.27Å; I290-R293 WeakPolarHBondContact O-CB 3.49Å; I290-R293 PolarHBondContact O-N 3.38Å; N291-R293 PolarHBondContact O-N 2.82Å; R293-C295 PolarHBondContact O-N 3.1Å
294	P	92.2	Very high	92.9	Very high	12 Å²	12	37.7 Å²	37.7	8%	0.078	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127	174.9	-24.3	35.2	0	0	0	113	A188 Y189 V192 F289 S292	A188-P294 HydrophobicContact CB-CB 3.86Å; A188-P294 HydrophobicContact CB-CG 4.03Å; Y189-P294 HydrophobicContact CD1-CG 4.11Å; Y189-P294 HydrophobicContact CD2-CG 4.16Å; Y189-P294 HydrophobicContact CE1-CG 3.84Å; Y189-P294 HydrophobicContact CE2-CB 4.42Å; Y189-P294 HydrophobicContact CE2-CG 3.86Å; Y189-P294 HydrophobicContact CG-CG 4.25Å; V192-P294 HydrophobicContact CG1-CG 4.42Å; F289-P294 HydrophobicContact CD1-CB 4.14Å; F289-P294 HydrophobicContact CD1-CG 3.9Å; F289-P294 HydrophobicContact CE1-CB 4.25Å; F289-P294 HydrophobicContact CE1-CG 3.98Å; S292-P294 WeakPolarHBondContact O-CD 3.4Å
295	C	90.6	Very high	93.2	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.5	-172	61.1	0	0	0	0	112.3	F288 R293 P297 I341	F288-C295 PolarHBondContact O-N 3.22Å; F288-C295 PolarHBondContact O-SG 2.89Å; R293-C295 PolarHBondContact O-N 3.1Å; C295-P297 WeakPolarHBondContact O-CD 3.34Å; C295-I341 HydrophobicContact CB-CD1 3.78Å; C295-I341 HydrophobicContact CB-CG1 4.43Å
296	D	88.9	Confident	93.2	Very high	76 Å²	76	38 Å²	38	41%	0.406	20%	0.197	S	C	.	.			trans	-114.2	71.3	178.3	-72.3	2.1	0	0	0	111.8	V298 R339	D296-V298 PolarHBondContact O-N 2.9Å; D296-R339 PolarHBondContact N-O 3.08Å; D296-R339 VanDerWaalsContact N-O 3.1Å; D296-R339 IonicContact OD1-CZ 2.69Å; D296-R339 IonicContact OD1-NH1 3.44Å; D296-R339 IonicContact OD1-NH2 2.64Å; D296-R339 PolarHBondContact OD1-NH2 3.38Å; D296-R339 IonicContact OD2-CZ 2.98Å; D296-R339 IonicContact OD2-NH1 2.69Å; D296-R339 PolarHBondContact OD2-NH1 2.93Å; D296-R339 IonicContact OD2-NH2 3.69Å; D296-R339 PolarHBondContact OD2-NH2 3.05Å
297	P	89.8	Confident	93.1	Very high	20 Å²	20	37.3 Å²	37.3	13%	0.13	19%	0.194	C	C	.	.			trans	-73.8	93.2	-178.5	31.8	-34.8	0	0	0	110.2	F288 C295 K299 V300 S301	F288-P297 HydrophobicContact CB-CG 3.66Å; F288-P297 HydrophobicContact CD1-CG 4.33Å; F288-P297 HydrophobicContact CD2-CG 4.42Å; F288-P297 HydrophobicContact CG-CG 3.9Å; C295-P297 WeakPolarHBondContact O-CD 3.34Å; P297-K299 VanDerWaalsContact C-N 3.31Å; P297-K299 PolarHBondContact O-N 2.81Å; P297-V300 HydrophobicContact CB-CB 3.9Å; P297-V300 HydrophobicContact CB-CG2 4.13Å; P297-V300 HydrophobicContact CG-CB 3.89Å; P297-V300 HydrophobicContact CG-CG1 4.07Å; P297-V300 HydrophobicContact CG-CG2 4.45Å; P297-V300 WeakPolarHBondContact O-CB 3.28Å; P297-V300 PolarHBondContact O-N 3.16Å; P297-V300 VanDerWaalsContact O-N 3.15Å; P297-S301 PolarHBondContact O-N 3.46Å
298	V	90.5	Very high	93	Very high	90 Å²	90	37.1 Å²	37.1	55%	0.545	19%	0.193	S	C	.	.	H	α-helix	trans	-57.5	-37.1	-168.6	-179.4	0	0	0	0	113.4	D296 K302	D296-V298 PolarHBondContact O-N 2.9Å; V298-K302 HydrophobicContact CG1-CD 4.2Å; V298-K302 WeakPolarHBondContact O-CB 3.41Å; V298-K302 VanDerWaalsContact O-CG 3.27Å; V298-K302 WeakPolarHBondContact O-CG 3.36Å; V298-K302 PolarHBondContact O-N 3.03Å
299	K	92.3	Very high	92.8	Very high	114 Å²	114	39.4 Å²	39.4	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-71.7	-43.7	178.8	-54.8	-169.1	-150.9	163.9	0	111.7	P297 K302 L303 E346 L350	P297-K299 VanDerWaalsContact C-N 3.31Å; P297-K299 PolarHBondContact O-N 2.81Å; K299-K302 PolarHBondContact O-N 3.22Å; K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.18Å; K299-E346 WeakPolarHBondContact CD-OE1 3.44Å; K299-E346 WeakPolarHBondContact CE-OE1 3.47Å; K299-E346 WeakPolarHBondContact CE-OE2 2.89Å; K299-E346 IonicContact NZ-OE1 3.88Å; K299-E346 IonicContact NZ-OE2 2.69Å; K299-E346 PolarHBondContact NZ-OE2 3.06Å; K299-L350 HydrophobicContact CB-CD1 4.22Å; K299-L350 HydrophobicContact CB-CD2 4.25Å
300	V	94.3	Very high	92.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-51.3	173.4	166.1	0	0	0	0	110.8	F288 P297 K302 L303 V304 L349 L350 L353	F288-V300 HydrophobicContact CD1-CG1 3.76Å; F288-V300 HydrophobicContact CE1-CG1 3.71Å; P297-V300 HydrophobicContact CB-CB 3.9Å; P297-V300 HydrophobicContact CB-CG2 4.13Å; P297-V300 HydrophobicContact CG-CB 3.89Å; P297-V300 HydrophobicContact CG-CG1 4.07Å; P297-V300 HydrophobicContact CG-CG2 4.45Å; P297-V300 WeakPolarHBondContact O-CB 3.28Å; P297-V300 PolarHBondContact O-N 3.16Å; P297-V300 VanDerWaalsContact O-N 3.15Å; V300-K302 PolarHBondContact O-N 2.6Å; V300-L303 PolarHBondContact O-N 3.02Å; V300-V304 HydrophobicContact CG1-CG2 4.43Å; V300-V304 WeakPolarHBondContact O-CG2 3.1Å; V300-V304 PolarHBondContact O-N 3.1Å; V300-L349 HydrophobicContact CG2-CD2 4.05Å; V300-L349 HydrophobicContact CG2-CG 4.47Å; V300-L350 HydrophobicContact CG2-CD2 4.08Å; V300-L353 HydrophobicContact CB-CD2 4.39Å; V300-L353 HydrophobicContact CG1-CD2 3.73Å; V300-L353 HydrophobicContact CG2-CD2 4.39Å
301	S	94.5	Very high	92.5	Very high	32 Å²	32	47.7 Å²	47.7	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-43.8	178	175.4	0	0	0	0	112	P297 N305	P297-S301 PolarHBondContact O-N 3.46Å; S301-N305 WeakPolarHBondContact O-CB 3.3Å; S301-N305 PolarHBondContact O-N 2.93Å; S301-N305 VanDerWaalsContact O-N 3.1Å; S301-N305 PolarHBondContact O-ND2 2.97Å; S301-N305 PolarHBondContact OG-ND2 3.42Å
302	K	95.3	Very high	92.4	Very high	140 Å²	140	44.6 Å²	44.6	61%	0.609	23%	0.225	S	C	*	.	H	α-helix	trans	-59.3	-47.3	174.7	-77.4	174.3	179	-178.1	0	112	V298 K299 V300 N305 E306	V298-K302 HydrophobicContact CG1-CD 4.2Å; V298-K302 WeakPolarHBondContact O-CB 3.41Å; V298-K302 VanDerWaalsContact O-CG 3.27Å; V298-K302 WeakPolarHBondContact O-CG 3.36Å; V298-K302 PolarHBondContact O-N 3.03Å; K299-K302 PolarHBondContact O-N 3.22Å; V300-K302 PolarHBondContact O-N 2.6Å; K302-N305 PolarHBondContact O-N 3.26Å; K302-E306 WeakPolarHBondContact O-CB 3.46Å; K302-E306 PolarHBondContact O-N 3.46Å
303	L	96.4	Very high	92.2	Very high	6 Å²	6	48 Å²	48	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-45.6	179.8	177.1	63.6	0	0	0	112.7	K299 V300 N305 E306 V307 L350 L353 K354	K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.18Å; V300-L303 PolarHBondContact O-N 3.02Å; L303-N305 VanDerWaalsContact C-N 3.27Å; L303-N305 PolarHBondContact O-N 3.49Å; L303-E306 PolarHBondContact O-N 2.86Å; L303-V307 HydrophobicContact CD1-CG2 3.92Å; L303-V307 HydrophobicContact CG-CG2 4.48Å; L303-V307 WeakPolarHBondContact O-CG2 3.26Å; L303-V307 PolarHBondContact O-N 2.98Å; L303-L350 HydrophobicContact CB-CD2 4.2Å; L303-L350 HydrophobicContact CD2-CB 3.94Å; L303-L350 HydrophobicContact CD2-CD2 3.62Å; L303-L350 HydrophobicContact CD2-CG 4.39Å; L303-L350 VanDerWaalsContact CD2-O 3.26Å; L303-L350 WeakPolarHBondContact CD2-O 3.36Å; L303-L353 HydrophobicContact CD2-CB 4.22Å; L303-L353 HydrophobicContact CD2-CD2 4.21Å; L303-L353 HydrophobicContact CD2-CG 4.21Å; L303-K354 HydrophobicContact CD1-CB 4.09Å; L303-K354 HydrophobicContact CD1-CD 4.11Å; L303-K354 HydrophobicContact CD1-CG 4.01Å; L303-K354 HydrophobicContact CD2-CB 4.11Å
304	V	96.4	Very high	92.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-41.6	177.5	177.5	0	0	0	0	110.7	F288 V300 Y308 P317 V319 L353 L357	F288-V304 HydrophobicContact CE1-CG2 4.11Å; F288-V304 HydrophobicContact CZ-CG2 4.44Å; V300-V304 HydrophobicContact CG1-CG2 4.43Å; V300-V304 WeakPolarHBondContact O-CG2 3.1Å; V300-V304 PolarHBondContact O-N 3.1Å; V304-Y308 VanDerWaalsContact O-CB 3.31Å; V304-Y308 WeakPolarHBondContact O-CB 3.5Å; V304-Y308 PolarHBondContact O-N 2.85Å; V304-P317 HydrophobicContact CG1-CG 4.01Å; V304-V319 HydrophobicContact CG1-CG2 3.7Å; V304-L353 HydrophobicContact CG2-CD1 4.34Å; V304-L353 HydrophobicContact CG2-CD2 3.86Å; V304-L353 HydrophobicContact CG2-CG 4.35Å; V304-L357 HydrophobicContact CB-CD1 4.33Å; V304-L357 HydrophobicContact CG1-CD1 4.33Å; V304-L357 HydrophobicContact CG2-CD1 4.02Å
305	N	95.9	Very high	92.2	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-43.6	175.6	-74.6	-57.8	0	0	0	111.9	Q286 S301 K302 L303 Y308 H309 Y316 P317	Q286-N305 PolarHBondContact NE2-OD1 3.23Å; Q286-N305 PolarHBondContact OE1-ND2 3.24Å; S301-N305 WeakPolarHBondContact O-CB 3.3Å; S301-N305 PolarHBondContact O-N 2.93Å; S301-N305 VanDerWaalsContact O-N 3.1Å; S301-N305 PolarHBondContact O-ND2 2.97Å; S301-N305 PolarHBondContact OG-ND2 3.42Å; K302-N305 PolarHBondContact O-N 3.26Å; L303-N305 VanDerWaalsContact C-N 3.27Å; L303-N305 PolarHBondContact O-N 3.49Å; N305-Y308 PolarHBondContact O-N 2.96Å; N305-H309 PolarHBondContact O-N 3.04Å; N305-H309 PolarHBondContact O-ND1 2.77Å; N305-Y316 WeakPolarHBondContact OD1-CD1 3.36Å; N305-P317 WeakPolarHBondContact OD1-CD 3.14Å
306	E	95.2	Very high	92.4	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-51.4	178.2	-175.5	176.9	164.6	0	0	111.6	K302 L303 Y308 H309 M310	K302-E306 WeakPolarHBondContact O-CB 3.46Å; K302-E306 PolarHBondContact O-N 3.46Å; L303-E306 PolarHBondContact O-N 2.86Å; E306-Y308 PolarHBondContact O-N 2.95Å; E306-H309 PolarHBondContact O-N 2.9Å; E306-M310 PolarHBondContact O-N 3.3Å
307	V	94.4	Very high	92.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-40.2	178.1	178.8	0	0	0	0	111.1	L303 H309 M310 Y311 K354 L357 I358 Y361	L303-V307 HydrophobicContact CD1-CG2 3.92Å; L303-V307 HydrophobicContact CG-CG2 4.48Å; L303-V307 WeakPolarHBondContact O-CG2 3.26Å; L303-V307 PolarHBondContact O-N 2.98Å; V307-H309 PolarHBondContact O-N 3.14Å; V307-M310 WeakPolarHBondContact O-CB 3.23Å; V307-M310 PolarHBondContact O-N 3.37Å; V307-Y311 HydrophobicContact CG1-CE2 4.17Å; V307-Y311 VanDerWaalsContact O-CD2 3.26Å; V307-Y311 WeakPolarHBondContact O-CD2 3.19Å; V307-K354 HydrophobicContact CG2-CG 4Å; V307-L357 HydrophobicContact CB-CB 4.42Å; V307-L357 HydrophobicContact CB-CD1 4.41Å; V307-L357 HydrophobicContact CG1-CB 3.71Å; V307-I358 HydrophobicContact CG1-CG1 3.9Å; V307-Y361 HydrophobicContact CG1-CD2 4.25Å; V307-Y361 HydrophobicContact CG1-CE2 4.38Å
308	Y	94	Very high	93.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-42.5	176.7	-168.8	-101.9	0	0	0	112.5	T273 V304 N305 E306 M310 Y311 N312 Q315 P317 Y361	T273-Y308 WeakPolarHBondContact O-CE2 3.39Å; T273-Y308 PolarHBondContact O-OH 3.26Å; V304-Y308 VanDerWaalsContact O-CB 3.31Å; V304-Y308 WeakPolarHBondContact O-CB 3.5Å; V304-Y308 PolarHBondContact O-N 2.85Å; N305-Y308 PolarHBondContact O-N 2.96Å; E306-Y308 PolarHBondContact O-N 2.95Å; Y308-M310 PolarHBondContact O-N 3.07Å; Y308-Y311 PolarHBondContact O-N 2.72Å; Y308-N312 HydrophobicContact CD1-CB 4.19Å; Y308-N312 HydrophobicContact CE1-CB 3.62Å; Y308-N312 PolarHBondContact O-N 3.04Å; Y308-N312 PolarHBondContact OH-ND2 2.78Å; Y308-Q315 WeakPolarHBondContact CD1-O 3.42Å; Y308-Q315 HydrophobicContact CE1-CB 4.4Å; Y308-Q315 VanDerWaalsContact CE1-O 3.29Å; Y308-Q315 WeakPolarHBondContact CE1-O 3.46Å; Y308-P317 HydrophobicContact CD1-CB 4.15Å; Y308-P317 VanDerWaalsContact CD1-CD 3.44Å; Y308-P317 HydrophobicContact CD1-CG 4.15Å; Y308-P317 HydrophobicContact CD2-CB 3.7Å; Y308-P317 HydrophobicContact CD2-CG 4.16Å; Y308-P317 HydrophobicContact CE1-CB 4.36Å; Y308-P317 HydrophobicContact CE2-CB 3.95Å; Y308-P317 HydrophobicContact CG-CB 3.79Å; Y308-P317 HydrophobicContact CG-CG 3.78Å; Y308-Y361 HydrophobicContact CD2-CE1 4.22Å; Y308-Y361 HydrophobicContact CD2-CE2 4.24Å; Y308-Y361 AromaticContact CD2-CZ 3.73Å; Y308-Y361 WeakPolarHBondContact CD2-OH 3.37Å; Y308-Y361 HydrophobicContact CE2-CE1 4.33Å
309	H	93.4	Very high	93.5	Very high	58 Å²	58	50.4 Å²	50.4	27%	0.269	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-14	178.8	-70.3	114.8	0	0	0	113.9	N305 E306 V307 Y311 R313 Q315 Y316	N305-H309 PolarHBondContact O-N 3.04Å; N305-H309 PolarHBondContact O-ND1 2.77Å; E306-H309 PolarHBondContact O-N 2.9Å; V307-H309 PolarHBondContact O-N 3.14Å; H309-Y311 VanDerWaalsContact C-N 3.31Å; H309-R313 PolarHBondContact CD2-O 3.31Å; H309-Q315 PolarHBondContact CD2-O 2.84Å; H309-Q315 PolarHBondContact NE2-O 2.85Å; H309-Y316 AromaticContact CE1-CE1 3.86Å
310	M	90.8	Very high	93.7	Very high	117 Å²	117	45 Å²	45	58%	0.576	20%	0.203	S	C	*	.	H	α-helix	trans	-67.4	-30.8	169.1	-63.4	170.8	55.1	0	0	112.3	E306 V307 Y308	E306-M310 PolarHBondContact O-N 3.3Å; V307-M310 WeakPolarHBondContact O-CB 3.23Å; V307-M310 PolarHBondContact O-N 3.37Å; Y308-M310 PolarHBondContact O-N 3.07Å
311	Y	88.3	Confident	93.8	Very high	62 Å²	62	45.1 Å²	45.1	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-104.3	-41.4	-178.9	-55.1	-89.1	0	0	0	112	V307 Y308 H309 Y361 E362 V365	V307-Y311 HydrophobicContact CG1-CE2 4.17Å; V307-Y311 VanDerWaalsContact O-CD2 3.26Å; V307-Y311 WeakPolarHBondContact O-CD2 3.19Å; Y308-Y311 PolarHBondContact O-N 2.72Å; H309-Y311 VanDerWaalsContact C-N 3.31Å; Y311-Y361 AromaticContact CD2-CD2 3.63Å; Y311-Y361 HydrophobicContact CD2-CD2 3.63Å; Y311-Y361 AromaticContact CD2-CG 3.81Å; Y311-Y361 HydrophobicContact CD2-CG 3.81Å; Y311-Y361 AromaticContact CE2-CD2 3.7Å; Y311-Y361 HydrophobicContact CE2-CD2 3.7Å; Y311-Y361 HydrophobicContact CE2-CG 4.01Å; Y311-Y361 HydrophobicContact CG-CD2 4.45Å; Y311-Y361 HydrophobicContact CG-CG 4.2Å; Y311-E362 HydrophobicContact CE1-CG 4.3Å; Y311-V365 HydrophobicContact CD1-CG2 4.03Å; Y311-V365 HydrophobicContact CE1-CG2 4.26Å
312	N	87.9	Confident	93.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	20%	0.198	C	C	.	.			trans	-126.4	90.1	177.6	-173.8	-11.9	0	0	0	111.5	D275 Y308 H314 Q315	D275-N312 PolarHBondContact O-ND2 3.35Å; Y308-N312 HydrophobicContact CD1-CB 4.19Å; Y308-N312 HydrophobicContact CE1-CB 3.62Å; Y308-N312 PolarHBondContact O-N 3.04Å; Y308-N312 PolarHBondContact OH-ND2 2.78Å; N312-H314 VanDerWaalsContact C-N 3.34Å; N312-H314 PolarHBondContact O-N 2.78Å; N312-Q315 PolarHBondContact ND2-OE1 3.13Å
313	R	86.8	Confident	93.8	Very high	121 Å²	121	37.8 Å²	37.8	46%	0.457	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.5	-169.4	-178.6	168.3	-163.8	137.1	25.4	116.6	H309	H309-R313 PolarHBondContact CD2-O 3.31Å
314	H	88.5	Confident	93.6	Very high	145 Å²	145	39 Å²	39	67%	0.671	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	7.6	-167.9	-64	-72.9	0	0	0	113.5	N312	N312-H314 VanDerWaalsContact C-N 3.34Å; N312-H314 PolarHBondContact O-N 2.78Å
315	Q	92.6	Very high	93.4	Very high	33 Å²	33	39.6 Å²	39.6	15%	0.154	18%	0.184	C	C	.	.			trans	-141	153.4	-175.1	-60.4	-173.7	-61.2	0	0	111	G277 G279 R280 Y308 H309 N312	G277-Q315 PolarHBondContact O-NE2 2.86Å; G277-Q315 VanDerWaalsContact O-NE2 3.15Å; G279-Q315 PolarHBondContact O-NE2 2.98Å; G279-Q315 VanDerWaalsContact O-NE2 3.13Å; R280-Q315 CarbonylContact O-C 3.52Å; R280-Q315 WeakPolarHBondContact O-CA 3.47Å; R280-Q315 VanDerWaalsContact O-CB 3.29Å; R280-Q315 WeakPolarHBondContact O-CB 3.45Å; Y308-Q315 WeakPolarHBondContact CD1-O 3.42Å; Y308-Q315 HydrophobicContact CE1-CB 4.4Å; Y308-Q315 VanDerWaalsContact CE1-O 3.29Å; Y308-Q315 WeakPolarHBondContact CE1-O 3.46Å; H309-Q315 PolarHBondContact CD2-O 2.84Å; H309-Q315 PolarHBondContact NE2-O 2.85Å; N312-Q315 PolarHBondContact ND2-OE1 3.13Å
316	Y	95.2	Very high	92.9	Very high	88 Å²	88	41.4 Å²	41.4	35%	0.345	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-96	146.6	174.3	-65.2	-102.4	0	0	0	109.6	R280 N305 H309	R280-Y316 WeakPolarHBondContact CB-O 3.5Å; R280-Y316 PolarHBondContact N-O 3.32Å; R280-Y316 PolarHBondContact O-N 3.4Å; N305-Y316 WeakPolarHBondContact OD1-CD1 3.36Å; H309-Y316 AromaticContact CE1-CE1 3.86Å
317	P	96.1	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.7	147.2	174.1	27.3	-30.3	0	0	0	111.1	V271 Q286 V304 N305 Y308 V319	V271-P317 HydrophobicContact CG2-CB 4.03Å; Q286-P317 WeakPolarHBondContact CG-O 3.25Å; Q286-P317 PolarHBondContact NE2-O 2.66Å; V304-P317 HydrophobicContact CG1-CG 4.01Å; N305-P317 WeakPolarHBondContact OD1-CD 3.14Å; Y308-P317 HydrophobicContact CD1-CB 4.15Å; Y308-P317 VanDerWaalsContact CD1-CD 3.44Å; Y308-P317 HydrophobicContact CD1-CG 4.15Å; Y308-P317 HydrophobicContact CD2-CB 3.7Å; Y308-P317 HydrophobicContact CD2-CG 4.16Å; Y308-P317 HydrophobicContact CE1-CB 4.36Å; Y308-P317 HydrophobicContact CE2-CB 3.95Å; Y308-P317 HydrophobicContact CG-CB 3.79Å; Y308-P317 HydrophobicContact CG-CG 3.78Å; P317-V319 HydrophobicContact CB-CG2 4Å; P317-V319 HydrophobicContact CG-CG2 3.84Å
318	F	96.9	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.8	136.8	148.5	179.1	-76.4	0	0	0	107.7	I225 F229 Q233 L237 V271 S272 R285 F287 A320	I225-F318 HydrophobicContact CD1-CE1 4.32Å; I225-F318 HydrophobicContact CG1-CZ 4.38Å; I225-F318 HydrophobicContact CG2-CE1 4.12Å; I225-F318 HydrophobicContact CG2-CE2 4.39Å; I225-F318 HydrophobicContact CG2-CZ 3.65Å; F229-F318 AromaticContact CD2-CE2 3.78Å; F229-F318 HydrophobicContact CD2-CE2 3.78Å; F229-F318 HydrophobicContact CD2-CZ 4.04Å; F229-F318 AromaticContact CE2-CE2 3.79Å; F229-F318 HydrophobicContact CE2-CE2 3.79Å; F229-F318 AromaticContact CE2-CZ 3.94Å; F229-F318 HydrophobicContact CE2-CZ 3.94Å; F229-F318 HydrophobicContact CG-CE2 4.19Å; F229-F318 HydrophobicContact CZ-CE2 4.24Å; Q233-F318 VanDerWaalsContact CD-CD2 3.47Å; Q233-F318 HydrophobicContact CG-CD2 3.91Å; Q233-F318 HydrophobicContact CG-CE2 3.97Å; L237-F318 HydrophobicContact CD1-CD1 3.8Å; L237-F318 HydrophobicContact CD1-CE1 3.71Å; L237-F318 HydrophobicContact CD1-CZ 4.4Å; L237-F318 HydrophobicContact CD2-CB 3.87Å; L237-F318 HydrophobicContact CD2-CD1 3.42Å; L237-F318 VanDerWaalsContact CD2-CD1 3.42Å; L237-F318 HydrophobicContact CD2-CE1 4.22Å; L237-F318 HydrophobicContact CD2-CG 3.81Å; L237-F318 HydrophobicContact CG-CD1 4.28Å; V271-F318 WeakPolarHBondContact CA-O 3.39Å; S272-F318 PolarHBondContact N-O 3Å; S272-F318 WeakPolarHBondContact OG-CB 3.28Å; S272-F318 PolarHBondContact OG-N 2.76Å; R285-F318 HydrophobicContact CB-CD2 3.49Å; R285-F318 VanDerWaalsContact CB-CD2 3.49Å; R285-F318 HydrophobicContact CB-CE2 3.84Å; R285-F318 HydrophobicContact CB-CG 4.36Å; R285-F318 HydrophobicContact CG-CD2 4.26Å; R285-F318 HydrophobicContact CG-CE2 4.45Å; R285-F318 WeakPolarHBondContact O-CA 3.49Å; F287-F318 HydrophobicContact CD2-CZ 4.43Å; F287-F318 HydrophobicContact CE2-CE2 4.33Å; F287-F318 HydrophobicContact CE2-CZ 4.43Å; F318-A320 HydrophobicContact CE1-CB 3.83Å; F318-A320 HydrophobicContact CZ-CB 4.41Å
319	V	97.5	Very high	91.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.7	177.2	-170.2	0	0	0	0	109.5	V271 R285 Q286 F287 F288 V304 P317 L321	V271-V319 HydrophobicContact CG2-CG2 4.34Å; R285-V319 PolarHBondContact O-N 3.24Å; Q286-V319 HydrophobicContact CB-CB 4.23Å; Q286-V319 HydrophobicContact CB-CG2 4.35Å; Q286-V319 HydrophobicContact CG-CB 4.26Å; Q286-V319 HydrophobicContact CG-CG2 3.92Å; F287-V319 WeakPolarHBondContact CD2-O 3.49Å; F287-V319 PolarHBondContact N-O 3.3Å; F288-V319 HydrophobicContact CD1-CG1 4.33Å; F288-V319 HydrophobicContact CE1-CB 4.5Å; F288-V319 HydrophobicContact CE1-CG1 3.65Å; F288-V319 HydrophobicContact CZ-CB 4.28Å; F288-V319 HydrophobicContact CZ-CG1 3.92Å; F288-V319 HydrophobicContact CZ-CG2 4.43Å; V304-V319 HydrophobicContact CG1-CG2 3.7Å; P317-V319 HydrophobicContact CB-CG2 4Å; P317-V319 HydrophobicContact CG-CG2 3.84Å; V319-L321 HydrophobicContact CG1-CB 3.87Å
320	A	97.1	Very high	90.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	92.5	163.5	0	0	0	0	0	107.5	I191 M221 I225 G269 F270 F287 F318	I191-A320 HydrophobicContact CG2-CB 4.03Å; M221-A320 HydrophobicContact SD-CB 4.31Å; I225-A320 HydrophobicContact CD1-CB 3.73Å; G269-A320 CarbonylContact C-O 3.53Å; G269-A320 WeakPolarHBondContact CA-O 3.39Å; F270-A320 PolarHBondContact N-O 3.22Å; F270-A320 PolarHBondContact O-N 3.34Å; F287-A320 VanDerWaalsContact O-CA 3.32Å; F287-A320 WeakPolarHBondContact O-CA 3.46Å; F318-A320 HydrophobicContact CE1-CB 3.83Å; F318-A320 HydrophobicContact CZ-CB 4.41Å
321	L	97	Very high	90.3	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.7	-169.1	-176	69.6	0	0	0	111.1	F240 F287 F288 F289 V319 L353	F240-L321 HydrophobicContact CB-CD1 4.26Å; F240-L321 HydrophobicContact CD1-CD1 4.19Å; F240-L321 HydrophobicContact CD2-CD1 3.7Å; F240-L321 HydrophobicContact CE2-CD1 4.05Å; F240-L321 HydrophobicContact CG-CD1 3.77Å; F240-L321 HydrophobicContact CZ-CD1 4.45Å; F287-L321 PolarHBondContact O-N 3.44Å; F288-L321 WeakPolarHBondContact CA-O 3.17Å; F288-L321 HydrophobicContact CD1-CB 4.26Å; F289-L321 WeakPolarHBondContact CD2-O 3.4Å; F289-L321 PolarHBondContact N-O 3.35Å; V319-L321 HydrophobicContact CG1-CB 3.87Å; L321-L353 HydrophobicContact CD2-CD1 3.84Å; L321-L353 HydrophobicContact CD2-CD2 4.46Å
322	N	95.9	Very high	89.8	Confident	18 Å²	18	37.8 Å²	37.8	10%	0.096	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.4	173.5	-178.9	49.6	0	0	0	110.7	M221 S268 F289 S292	M221-N322 HydrophobicContact CE-CB 4.29Å; S268-N322 PolarHBondContact N-O 2.91Å; S268-N322 PolarHBondContact O-N 2.72Å; S268-N322 PolarHBondContact OG-O 2.73Å; F289-N322 HydrophobicContact CB-CB 4.13Å; F289-N322 WeakPolarHBondContact CB-OD1 3.36Å; F289-N322 HydrophobicContact CD2-CB 4.22Å; F289-N322 WeakPolarHBondContact O-CA 3.19Å; S292-N322 PolarHBondContact N-OD1 2.78Å
323	I	94.6	Very high	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	104.6	178.1	-56.9	157.4	0	0	0	106.5	F265 L267 F289 I290 N291 L349	F265-I323 HydrophobicContact CD1-CG2 3.98Å; L267-I323 HydrophobicContact CD2-CB 4.1Å; L267-I323 HydrophobicContact CD2-CG1 3.72Å; L267-I323 HydrophobicContact CD2-CG2 3.97Å; F289-I323 PolarHBondContact O-N 2.78Å; I290-I323 WeakPolarHBondContact CA-O 3.42Å; I290-I323 HydrophobicContact CG1-CB 4.23Å; I290-I323 HydrophobicContact CG1-CD1 4.06Å; N291-I323 PolarHBondContact N-O 2.89Å; I323-L349 HydrophobicContact CD1-CD1 4.48Å; I323-L349 HydrophobicContact CD1-CD2 4.22Å; I323-L349 HydrophobicContact CG1-CD1 4.41Å; I323-L349 HydrophobicContact CG2-CD1 3.96Å; I323-L349 HydrophobicContact CG2-CD2 4.31Å
324	A	92.3	Very high	88.9	Confident	33 Å²	33	36.7 Å²	36.7	27%	0.273	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134	172.2	0	0	0	0	0	109.9	T266 N291	T266-A324 PolarHBondContact N-O 3.2Å; T266-A324 PolarHBondContact O-N 3.06Å; N291-A324 WeakPolarHBondContact OD1-CA 3.14Å
325	V	91.2	Very high	88.2	Confident	14 Å²	14	30.9 Å²	30.9	9%	0.085	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151.4	-174.1	51.8	0	0	0	0	108.8	L264 F265 I290 N291 C329 V330 L343	L264-V325 HydrophobicContact CD2-CG2 3.86Å; F265-V325 HydrophobicContact CD1-CB 3.94Å; F265-V325 HydrophobicContact CD1-CG2 4.05Å; F265-V325 HydrophobicContact CE1-CB 4.13Å; F265-V325 HydrophobicContact CE1-CG2 3.86Å; I290-V325 HydrophobicContact CG2-CG1 4.17Å; N291-V325 PolarHBondContact ND2-O 2.96Å; N291-V325 PolarHBondContact OD1-N 3.34Å; N291-V325 PolarHBondContact OD1-O 2.92Å; N291-V325 VanDerWaalsContact OD1-O 3.06Å; V325-C329 HydrophobicContact CG2-CB 3.73Å; V325-V330 HydrophobicContact CG1-CG2 3.5Å; V325-V330 HydrophobicContact CG2-CG2 4.31Å; V325-L343 HydrophobicContact CG1-CD2 4.38Å
326	A	85.6	Confident	87	Confident	54 Å²	54	32.1 Å²	32.1	45%	0.446	19%	0.19	S	C	.	.			trans	-61.6	146.1	177.2	0	0	0	0	0	111.7	D328 C329 V330	A326-D328 WeakPolarHBondContact CB-OD1 3.38Å; A326-D328 PolarHBondContact O-N 3.34Å; A326-C329 WeakPolarHBondContact O-CB 3.49Å; A326-C329 PolarHBondContact O-N 2.92Å; A326-V330 WeakPolarHBondContact O-CG2 3.26Å
327	S	79.1	Confident	85.8	Confident	47 Å²	47	29.7 Å²	29.7	33%	0.329	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-71.3	-28.4	-169.1	65.4	0	0	0	0	113.9	I97 C329 V330	I97-S327 VanDerWaalsContact O-CB 3.26Å; I97-S327 WeakPolarHBondContact O-CB 3.35Å; I97-S327 PolarHBondContact O-OG 3.4Å; S327-C329 PolarHBondContact O-N 3.34Å; S327-V330 PolarHBondContact O-N 2.97Å; S327-V330 VanDerWaalsContact O-N 3.13Å
328	D	82.6	Confident	84.8	Confident	96 Å²	96	30 Å²	30	51%	0.513	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.8	-28.2	171.2	60.7	-15	0	0	0	113.4	I97 A326 V330 Q344	I97-D328 HydrophobicContact CG2-CB 4.45Å; A326-D328 WeakPolarHBondContact CB-OD1 3.38Å; A326-D328 PolarHBondContact O-N 3.34Å; D328-V330 VanDerWaalsContact C-N 3.28Å; D328-V330 PolarHBondContact O-N 3.15Å; D328-Q344 PolarHBondContact O-NE2 3.48Å
329	C	83.9	Confident	83.7	Confident	11 Å²	11	33 Å²	33	7%	0.074	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-84	3.7	178.6	-61.7	0	0	0	0	113.7	V325 A326 S327 Q344	V325-C329 HydrophobicContact CG2-CB 3.73Å; A326-C329 WeakPolarHBondContact O-CB 3.49Å; A326-C329 PolarHBondContact O-N 2.92Å; S327-C329 PolarHBondContact O-N 3.34Å; C329-Q344 HydrophobicContact CB-CB 4.25Å; C329-Q344 HydrophobicContact CB-CG 4.45Å; C329-Q344 PolarHBondContact O-N 3.46Å
330	V	84.7	Confident	82.9	Confident	20 Å²	20	38.2 Å²	38.2	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.4	-169.7	-171.6	0	0	0	0	112.3	I290 V325 A326 S327 D328 V332 I341 F342 L343	I290-V330 HydrophobicContact CG2-CG1 4.13Å; I290-V330 HydrophobicContact CG2-CG2 4.43Å; V325-V330 HydrophobicContact CG1-CG2 3.5Å; V325-V330 HydrophobicContact CG2-CG2 4.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.26Å; S327-V330 PolarHBondContact O-N 2.97Å; S327-V330 VanDerWaalsContact O-N 3.13Å; D328-V330 VanDerWaalsContact C-N 3.28Å; D328-V330 PolarHBondContact O-N 3.15Å; V330-V332 HydrophobicContact CG1-CG2 3.77Å; V330-I341 HydrophobicContact CG1-CG2 3.35Å; V330-F342 WeakPolarHBondContact CA-O 3.33Å; V330-L343 HydrophobicContact CB-CD2 4.34Å; V330-L343 HydrophobicContact CG1-CD2 4.08Å; V330-L343 HydrophobicContact CG2-CD2 3.78Å
331	D	82	Confident	82.2	Confident	73 Å²	73	39.4 Å²	39.4	39%	0.39	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	165.2	-179.1	12.7	0	0	0	110.5	N333 V334 I341 F342	D331-N333 WeakPolarHBondContact OD1-CA 3.46Å; D331-N333 WeakPolarHBondContact OD1-CB 3.34Å; D331-N333 PolarHBondContact OD1-N 2.81Å; D331-V334 HydrophobicContact CB-CG2 4.48Å; D331-I341 WeakPolarHBondContact O-CA 3.27Å; D331-I341 WeakPolarHBondContact O-CG2 3.43Å; D331-F342 HydrophobicContact CB-CB 4.3Å; D331-F342 PolarHBondContact N-O 3.27Å; D331-F342 PolarHBondContact O-N 2.79Å
332	V	79.5	Confident	81.6	Confident	32 Å²	32	45.1 Å²	45.1	19%	0.194	25%	0.251	C	S	.	.			trans	-93.5	-10.7	177.7	-175.5	0	0	0	0	111.8	F104 V330 V334 K338	F104-V332 HydrophobicContact CE1-CG1 4.14Å; F104-V332 HydrophobicContact CZ-CG1 4.5Å; V330-V332 HydrophobicContact CG1-CG2 3.77Å; V332-V334 VanDerWaalsContact C-N 3.29Å; V332-V334 PolarHBondContact O-N 3.45Å; V332-K338 HydrophobicContact CG1-CB 4.44Å
333	N	75.5	Confident	81.1	Confident	56 Å²	56	45.8 Å²	45.8	30%	0.299	25%	0.254	S	S	.	.			trans	-85.6	3.8	-170.1	-160.3	33.1	0	0	0	114.2	L96 R105 D331 T335	L96-N333 HydrophobicContact CD2-CB 4.3Å; R105-N333 PolarHBondContact NE-OD1 3.2Å; R105-N333 PolarHBondContact NH2-O 3.22Å; R105-N333 PolarHBondContact NH2-OD1 3.32Å; D331-N333 WeakPolarHBondContact OD1-CA 3.46Å; D331-N333 WeakPolarHBondContact OD1-CB 3.34Å; D331-N333 PolarHBondContact OD1-N 2.81Å; N333-T335 PolarHBondContact O-N 2.77Å
334	V	79.8	Confident	80.7	Confident	43 Å²	43	51.2 Å²	51.2	26%	0.261	28%	0.28	S	S	.	.	S	Bend	trans	-58.7	-46.5	-173.2	-169.4	0	0	0	0	113.7	D331 V332 Q340 F342	D331-V334 HydrophobicContact CB-CG2 4.48Å; V332-V334 VanDerWaalsContact C-N 3.29Å; V332-V334 PolarHBondContact O-N 3.45Å; V334-Q340 HydrophobicContact CB-CB 4.37Å; V334-Q340 HydrophobicContact CG1-CB 4.22Å; V334-F342 HydrophobicContact CB-CE2 4.41Å; V334-F342 HydrophobicContact CG1-CD2 4.29Å; V334-F342 HydrophobicContact CG1-CE1 4.07Å; V334-F342 HydrophobicContact CG1-CE2 3.68Å; V334-F342 HydrophobicContact CG1-CZ 3.55Å; V334-F342 HydrophobicContact CG2-CB 4.43Å; V334-F342 HydrophobicContact CG2-CD1 4.3Å; V334-F342 HydrophobicContact CG2-CD2 3.54Å; V334-F342 HydrophobicContact CG2-CE2 3.79Å; V334-F342 HydrophobicContact CG2-CG 3.83Å; V334-F342 HydrophobicContact CG2-CZ 4.27Å
335	T	74	Confident	80.4	Confident	23 Å²	23	54 Å²	54	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-128.8	149.4	-177.8	56.4	0	0	0	0	113.2	N333 D337 K338 Q340	N333-T335 PolarHBondContact O-N 2.77Å; T335-D337 VanDerWaalsContact CB-OD1 3.3Å; T335-D337 WeakPolarHBondContact CB-OD1 3.39Å; T335-D337 PolarHBondContact O-N 2.92Å; T335-D337 PolarHBondContact OG1-OD1 3.24Å; T335-K338 PolarHBondContact O-N 3.1Å; T335-Q340 HydrophobicContact CG2-CB 3.81Å; T335-Q340 HydrophobicContact CG2-CG 3.9Å; T335-Q340 PolarHBondContact OG1-N 3.46Å
336	P	67.7	Low	80.3	Confident	59 Å²	59	55.8 Å²	55.8	38%	0.383	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.4	178	-25.3	34.9	0	0	0	115.1	K338	P336-K338 VanDerWaalsContact C-N 3.33Å
337	D	69.6	Low	80.6	Confident	37 Å²	37	58.2 Å²	58.2	20%	0.198	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8	176.1	71.7	-11.5	0	0	0	113.7	K38 T335 R339	K38-D337 WeakPolarHBondContact CE-O 3.39Å; K38-D337 PolarHBondContact NZ-O 2.91Å; K38-D337 VanDerWaalsContact NZ-O 3.13Å; T335-D337 VanDerWaalsContact CB-OD1 3.3Å; T335-D337 WeakPolarHBondContact CB-OD1 3.39Å; T335-D337 PolarHBondContact O-N 2.92Å; T335-D337 PolarHBondContact OG1-OD1 3.24Å; D337-R339 HydrophobicContact CB-CG 4.11Å; D337-R339 PolarHBondContact O-N 3.19Å; D337-R339 PolarHBondContact OD1-N 2.83Å; D337-R339 VanDerWaalsContact OD1-N 3.1Å; D337-R339 WeakPolarHBondContact OD2-CD 3.48Å; D337-R339 WeakPolarHBondContact OD2-CG 3.22Å
338	K	74.4	Confident	81.1	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.026	28%	0.281	C	S	.	.	S	Bend	trans	62	20.8	-178.3	-39.4	164.6	-148	159.5	0	113.8	E39 E42 F102 F104 V332 T335 P336	E39-K338 WeakPolarHBondContact OE1-CE 3.42Å; E39-K338 IonicContact OE1-NZ 3.85Å; E39-K338 PolarHBondContact OE1-NZ 3.42Å; E39-K338 WeakPolarHBondContact OE2-CE 3.35Å; E39-K338 IonicContact OE2-NZ 3.68Å; E39-K338 PolarHBondContact OE2-NZ 2.94Å; E42-K338 IonicContact OE2-NZ 3.42Å; E42-K338 PolarHBondContact OE2-NZ 3.47Å; F102-K338 WeakPolarHBondContact O-CD 3.43Å; F102-K338 PolarHBondContact O-NZ 3.24Å; F104-K338 HydrophobicContact CE1-CD 4.08Å; F104-K338 HydrophobicContact CE1-CG 4.38Å; V332-K338 HydrophobicContact CG1-CB 4.44Å; T335-K338 PolarHBondContact O-N 3.1Å; P336-K338 VanDerWaalsContact C-N 3.33Å
339	R	74.6	Confident	81.6	Confident	63 Å²	63	51.8 Å²	51.8	24%	0.238	26%	0.257	C	S	.	.			trans	-95.4	-21.7	-175.5	-58.3	-177.2	78.9	-111.4	-2.1	113.6	D296 D337	D296-R339 PolarHBondContact N-O 3.08Å; D296-R339 VanDerWaalsContact N-O 3.1Å; D296-R339 IonicContact OD1-CZ 2.69Å; D296-R339 IonicContact OD1-NH1 3.44Å; D296-R339 IonicContact OD1-NH2 2.64Å; D296-R339 PolarHBondContact OD1-NH2 3.38Å; D296-R339 IonicContact OD2-CZ 2.98Å; D296-R339 IonicContact OD2-NH1 2.69Å; D296-R339 PolarHBondContact OD2-NH1 2.93Å; D296-R339 IonicContact OD2-NH2 3.69Å; D296-R339 PolarHBondContact OD2-NH2 3.05Å; D337-R339 HydrophobicContact CB-CG 4.11Å; D337-R339 PolarHBondContact O-N 3.19Å; D337-R339 PolarHBondContact OD1-N 2.83Å; D337-R339 VanDerWaalsContact OD1-N 3.1Å; D337-R339 WeakPolarHBondContact OD2-CD 3.48Å; D337-R339 WeakPolarHBondContact OD2-CG 3.22Å
340	Q	79.8	Confident	82	Confident	113 Å²	113	52 Å²	52	53%	0.528	26%	0.257	S	S	.	.			trans	-92.9	137	163.4	-61.9	-172.9	2.7	0	0	109	V334 T335	V334-Q340 HydrophobicContact CB-CB 4.37Å; V334-Q340 HydrophobicContact CG1-CB 4.22Å; T335-Q340 HydrophobicContact CG2-CB 3.81Å; T335-Q340 HydrophobicContact CG2-CG 3.9Å; T335-Q340 PolarHBondContact OG1-N 3.46Å
341	I	83	Confident	82.4	Confident	25 Å²	25	51 Å²	51	13%	0.128	25%	0.251	C	S	.	.			trans	-141.3	134.5	-176.4	-62.3	178.6	0	0	0	105.9	I290 C295 V330 D331 L343	I290-I341 HydrophobicContact CB-CD1 4.1Å; I290-I341 HydrophobicContact CD1-CB 4.09Å; I290-I341 HydrophobicContact CD1-CD1 4.14Å; I290-I341 HydrophobicContact CD1-CG2 3.99Å; I290-I341 HydrophobicContact CG2-CG2 4.42Å; C295-I341 HydrophobicContact CB-CD1 3.78Å; C295-I341 HydrophobicContact CB-CG1 4.43Å; V330-I341 HydrophobicContact CG1-CG2 3.35Å; D331-I341 WeakPolarHBondContact O-CA 3.27Å; D331-I341 WeakPolarHBondContact O-CG2 3.43Å; I341-L343 HydrophobicContact CG2-CD2 4.3Å
342	F	84.3	Confident	82.9	Confident	125 Å²	125	48.1 Å²	48.1	55%	0.548	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.6	170	-61	-34.8	0	0	0	110.3	V330 D331 V334	V330-F342 WeakPolarHBondContact CA-O 3.33Å; D331-F342 HydrophobicContact CB-CB 4.3Å; D331-F342 PolarHBondContact N-O 3.27Å; D331-F342 PolarHBondContact O-N 2.79Å; V334-F342 HydrophobicContact CB-CE2 4.41Å; V334-F342 HydrophobicContact CG1-CD2 4.29Å; V334-F342 HydrophobicContact CG1-CE1 4.07Å; V334-F342 HydrophobicContact CG1-CE2 3.68Å; V334-F342 HydrophobicContact CG1-CZ 3.55Å; V334-F342 HydrophobicContact CG2-CB 4.43Å; V334-F342 HydrophobicContact CG2-CD1 4.3Å; V334-F342 HydrophobicContact CG2-CD2 3.54Å; V334-F342 HydrophobicContact CG2-CE2 3.79Å; V334-F342 HydrophobicContact CG2-CG 3.83Å; V334-F342 HydrophobicContact CG2-CZ 4.27Å
343	L	86.1	Confident	83.7	Confident	31 Å²	31	46.7 Å²	46.7	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133	-177.8	-64.8	176.8	0	0	0	109.3	I290 V325 V330 I341 L349	I290-L343 HydrophobicContact CD1-CD1 3.96Å; I290-L343 HydrophobicContact CD1-CD2 4.26Å; I290-L343 HydrophobicContact CD1-CG 4.31Å; I290-L343 HydrophobicContact CG2-CD2 4.17Å; V325-L343 HydrophobicContact CG1-CD2 4.38Å; V330-L343 HydrophobicContact CB-CD2 4.34Å; V330-L343 HydrophobicContact CG1-CD2 4.08Å; V330-L343 HydrophobicContact CG2-CD2 3.78Å; I341-L343 HydrophobicContact CG2-CD2 4.3Å; L343-L349 HydrophobicContact CD1-CD2 3.49Å; L343-L349 VanDerWaalsContact CD1-CD2 3.49Å
344	Q	85.3	Confident	84.6	Confident	114 Å²	114	45 Å²	45	53%	0.533	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	148.6	162	-59.5	-171	28.3	0	0	109.4	F265 D328 C329 E346	F265-Q344 WeakPolarHBondContact CZ-O 3.43Å; D328-Q344 PolarHBondContact O-NE2 3.48Å; C329-Q344 HydrophobicContact CB-CB 4.25Å; C329-Q344 HydrophobicContact CB-CG 4.45Å; C329-Q344 PolarHBondContact O-N 3.46Å; Q344-E346 VanDerWaalsContact C-N 3.26Å; Q344-E346 PolarHBondContact O-N 3.01Å; Q344-E346 VanDerWaalsContact O-N 3.11Å
345	E	85.8	Confident	85.3	Confident	92 Å²	92	43.4 Å²	43.4	43%	0.43	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	38.8	-179.4	-63.9	-48.3	122.1	0	0	116.5	F265 K347 L348 L349	F265-E345 HydrophobicContact CE2-CB 4.46Å; E345-K347 PolarHBondContact O-N 2.97Å; E345-L348 HydrophobicContact CB-CB 4.14Å; E345-L348 WeakPolarHBondContact O-CB 3.28Å; E345-L348 PolarHBondContact O-N 2.92Å; E345-L349 PolarHBondContact O-N 2.86Å
346	E	89.2	Confident	86.3	Confident	51 Å²	51	42.3 Å²	42.3	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-52.7	-30.1	175.8	-167.1	-166	-171.9	0	0	112.8	K299 Q344 L349 L350	K299-E346 WeakPolarHBondContact CD-OE1 3.44Å; K299-E346 WeakPolarHBondContact CE-OE1 3.47Å; K299-E346 WeakPolarHBondContact CE-OE2 2.89Å; K299-E346 IonicContact NZ-OE1 3.88Å; K299-E346 IonicContact NZ-OE2 2.69Å; K299-E346 PolarHBondContact NZ-OE2 3.06Å; Q344-E346 VanDerWaalsContact C-N 3.26Å; Q344-E346 PolarHBondContact O-N 3.01Å; Q344-E346 VanDerWaalsContact O-N 3.11Å; E346-L349 WeakPolarHBondContact O-CB 3.31Å; E346-L349 PolarHBondContact O-N 3.29Å; E346-L350 HydrophobicContact CG-CD1 4.49Å; E346-L350 VanDerWaalsContact O-CG 3.3Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.84Å
347	K	91.1	Very high	87.5	Confident	106 Å²	106	39.6 Å²	39.6	46%	0.461	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-44.3	172.7	-74.1	-178.6	165.1	-157	0	112.8	Y253 L255 E345 L350 A351	Y253-K347 WeakPolarHBondContact O-CD 3.43Å; Y253-K347 WeakPolarHBondContact O-CE 3.4Å; Y253-K347 PolarHBondContact O-NZ 3.4Å; L255-K347 HydrophobicContact CD2-CB 3.94Å; L255-K347 HydrophobicContact CD2-CD 4.17Å; E345-K347 PolarHBondContact O-N 2.97Å; K347-L350 PolarHBondContact O-N 3.1Å; K347-A351 WeakPolarHBondContact O-CB 3.32Å; K347-A351 PolarHBondContact O-N 3.49Å
348	L	90.3	Very high	88.6	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-42.8	178.7	175.7	61.4	0	0	0	110.5	P245 L255 L260 F265 E345 L350 A351 I352	P245-L348 HydrophobicContact CG-CD1 4.4Å; L255-L348 HydrophobicContact CD1-CB 4.37Å; L255-L348 HydrophobicContact CD1-CD1 4.34Å; L260-L348 HydrophobicContact CD1-CD1 4.02Å; L260-L348 HydrophobicContact CD2-CD1 4.03Å; L260-L348 HydrophobicContact CD2-CD2 4.23Å; L260-L348 HydrophobicContact CD2-CG 4.49Å; F265-L348 HydrophobicContact CD2-CD2 4.32Å; F265-L348 HydrophobicContact CD2-CG 4.3Å; F265-L348 HydrophobicContact CE2-CB 4.26Å; F265-L348 HydrophobicContact CE2-CD2 4.32Å; F265-L348 HydrophobicContact CE2-CG 4.33Å; E345-L348 HydrophobicContact CB-CB 4.14Å; E345-L348 WeakPolarHBondContact O-CB 3.28Å; E345-L348 PolarHBondContact O-N 2.92Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 3.04Å; L348-A351 PolarHBondContact O-N 3.4Å; L348-I352 HydrophobicContact CD1-CD1 3.94Å; L348-I352 HydrophobicContact CD1-CG1 4.15Å; L348-I352 HydrophobicContact CG-CD1 3.81Å; L348-I352 HydrophobicContact CG-CG1 4.47Å; L348-I352 WeakPolarHBondContact O-CB 3.42Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 2.82Å
349	L	92.5	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.3	-46.5	172.9	171.3	61.9	0	0	0	111.8	F265 L267 V300 I323 L343 E345 E346 L353	F265-L349 HydrophobicContact CD1-CB 4.32Å; F265-L349 HydrophobicContact CD1-CD1 4.16Å; F265-L349 HydrophobicContact CD2-CB 4.03Å; F265-L349 HydrophobicContact CE1-CB 4.08Å; F265-L349 HydrophobicContact CE1-CD2 4.28Å; F265-L349 HydrophobicContact CE2-CB 3.76Å; F265-L349 HydrophobicContact CG-CB 4.3Å; F265-L349 HydrophobicContact CG-CD1 4.25Å; F265-L349 HydrophobicContact CZ-CB 3.79Å; L267-L349 HydrophobicContact CD2-CD1 3.79Å; V300-L349 HydrophobicContact CG2-CD2 4.05Å; V300-L349 HydrophobicContact CG2-CG 4.47Å; I323-L349 HydrophobicContact CD1-CD1 4.48Å; I323-L349 HydrophobicContact CD1-CD2 4.22Å; I323-L349 HydrophobicContact CG1-CD1 4.41Å; I323-L349 HydrophobicContact CG2-CD1 3.96Å; I323-L349 HydrophobicContact CG2-CD2 4.31Å; L343-L349 HydrophobicContact CD1-CD2 3.49Å; L343-L349 VanDerWaalsContact CD1-CD2 3.49Å; E345-L349 PolarHBondContact O-N 2.86Å; E346-L349 WeakPolarHBondContact O-CB 3.31Å; E346-L349 PolarHBondContact O-N 3.29Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 PolarHBondContact O-N 2.86Å
350	L	93.8	Very high	90.3	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-41.6	177.5	-66.6	170.8	0	0	0	111.8	Y253 K299 V300 L303 E346 K347 L348 L353 K354	Y253-L350 HydrophobicContact CD1-CB 4.42Å; Y253-L350 HydrophobicContact CE1-CB 3.79Å; Y253-L350 HydrophobicContact CE1-CD1 4.23Å; Y253-L350 HydrophobicContact CE2-CB 4.44Å; K299-L350 HydrophobicContact CB-CD1 4.22Å; K299-L350 HydrophobicContact CB-CD2 4.25Å; V300-L350 HydrophobicContact CG2-CD2 4.08Å; L303-L350 HydrophobicContact CB-CD2 4.2Å; L303-L350 HydrophobicContact CD2-CB 3.94Å; L303-L350 HydrophobicContact CD2-CD2 3.62Å; L303-L350 HydrophobicContact CD2-CG 4.39Å; L303-L350 VanDerWaalsContact CD2-O 3.26Å; L303-L350 WeakPolarHBondContact CD2-O 3.36Å; E346-L350 HydrophobicContact CG-CD1 4.49Å; E346-L350 VanDerWaalsContact O-CG 3.3Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.84Å; K347-L350 PolarHBondContact O-N 3.1Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 3.04Å; L350-L353 PolarHBondContact O-N 3.02Å; L350-K354 WeakPolarHBondContact O-CB 3.18Å; L350-K354 PolarHBondContact O-N 3.29Å
351	A	92.5	Very high	90.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-46.3	176.6	0	0	0	0	0	112.8	P245 I249 Y253 L255 K347 L348 S355	P245-A351 HydrophobicContact CB-CB 3.94Å; I249-A351 HydrophobicContact CG2-CB 4.06Å; Y253-A351 HydrophobicContact CD2-CB 3.65Å; Y253-A351 HydrophobicContact CE2-CB 4.19Å; Y253-A351 HydrophobicContact CG-CB 4.33Å; L255-A351 HydrophobicContact CD1-CB 3.86Å; K347-A351 WeakPolarHBondContact O-CB 3.32Å; K347-A351 PolarHBondContact O-N 3.49Å; L348-A351 PolarHBondContact O-N 3.4Å; A351-S355 WeakPolarHBondContact O-CB 3.38Å; A351-S355 PolarHBondContact O-N 2.89Å; A351-S355 VanDerWaalsContact O-N 3.11Å; A351-S355 PolarHBondContact O-OG 3.02Å
352	I	93.2	Very high	90.9	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-49.4	174.6	-69.7	164.4	0	0	0	110.1	Q242 P245 F265 L267 L348 S355 S356	Q242-I352 HydrophobicContact CG-CG2 3.74Å; P245-I352 HydrophobicContact CG-CG1 4.41Å; F265-I352 HydrophobicContact CB-CD1 4.33Å; F265-I352 HydrophobicContact CD2-CD1 4.19Å; L267-I352 HydrophobicContact CD1-CG2 3.76Å; L348-I352 HydrophobicContact CD1-CD1 3.94Å; L348-I352 HydrophobicContact CD1-CG1 4.15Å; L348-I352 HydrophobicContact CG-CD1 3.81Å; L348-I352 HydrophobicContact CG-CG1 4.47Å; L348-I352 WeakPolarHBondContact O-CB 3.42Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 2.82Å; I352-S355 PolarHBondContact O-N 2.98Å; I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.04Å; I352-S356 PolarHBondContact O-N 2.84Å; I352-S356 PolarHBondContact O-OG 2.94Å
353	L	95.1	Very high	90.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-43.4	-176.6	179.4	57.2	0	0	0	112.1	F240 L267 V300 L303 V304 L321 L349 L350 L357	F240-L353 HydrophobicContact CE2-CD1 3.69Å; F240-L353 HydrophobicContact CZ-CD1 3.67Å; L267-L353 HydrophobicContact CD1-CB 4.38Å; L267-L353 HydrophobicContact CD1-CD1 4.35Å; V300-L353 HydrophobicContact CB-CD2 4.39Å; V300-L353 HydrophobicContact CG1-CD2 3.73Å; V300-L353 HydrophobicContact CG2-CD2 4.39Å; L303-L353 HydrophobicContact CD2-CB 4.22Å; L303-L353 HydrophobicContact CD2-CD2 4.21Å; L303-L353 HydrophobicContact CD2-CG 4.21Å; V304-L353 HydrophobicContact CG2-CD1 4.34Å; V304-L353 HydrophobicContact CG2-CD2 3.86Å; V304-L353 HydrophobicContact CG2-CG 4.35Å; L321-L353 HydrophobicContact CD2-CD1 3.84Å; L321-L353 HydrophobicContact CD2-CD2 4.46Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 PolarHBondContact O-N 2.86Å; L350-L353 PolarHBondContact O-N 3.02Å; L353-L357 HydrophobicContact CD1-CD1 3.8Å; L353-L357 HydrophobicContact CD1-CG 4.07Å; L353-L357 HydrophobicContact CG-CD1 4.06Å; L353-L357 WeakPolarHBondContact O-CB 3.43Å; L353-L357 VanDerWaalsContact O-CG 3.31Å; L353-L357 WeakPolarHBondContact O-CG 3.42Å; L353-L357 PolarHBondContact O-N 2.88Å
354	K	94.7	Very high	88.9	Confident	21 Å²	21	35.9 Å²	35.9	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-50.5	176.4	-167.1	174.9	-167.5	-176.2	0	111	I249 E252 Y253 L303 V307 L350 L357 I358	I249-K354 HydrophobicContact CD1-CD 4.38Å; I249-K354 HydrophobicContact CD1-CG 4.23Å; I249-K354 HydrophobicContact CG2-CB 4.31Å; I249-K354 HydrophobicContact CG2-CD 4.24Å; E252-K354 IonicContact OE1-NZ 2.66Å; E252-K354 PolarHBondContact OE1-NZ 3.38Å; E252-K354 IonicContact OE2-NZ 3.5Å; E252-K354 PolarHBondContact OE2-NZ 2.93Å; Y253-K354 HydrophobicContact CE2-CD 4.14Å; L303-K354 HydrophobicContact CD1-CB 4.09Å; L303-K354 HydrophobicContact CD1-CD 4.11Å; L303-K354 HydrophobicContact CD1-CG 4.01Å; L303-K354 HydrophobicContact CD2-CB 4.11Å; V307-K354 HydrophobicContact CG2-CG 4Å; L350-K354 WeakPolarHBondContact O-CB 3.18Å; L350-K354 PolarHBondContact O-N 3.29Å; K354-L357 PolarHBondContact O-N 3.33Å; K354-I358 HydrophobicContact CG-CD1 3.91Å; K354-I358 WeakPolarHBondContact O-CG1 3.3Å; K354-I358 PolarHBondContact O-N 2.85Å
355	S	93.8	Very high	87.5	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-43.3	-178.2	-51.9	0	0	0	0	112.1	P245 S246 I249 A351 I352 N359	P245-S355 WeakPolarHBondContact CA-OG 3.33Å; S246-S355 PolarHBondContact N-OG 3.49Å; I249-S355 WeakPolarHBondContact CD1-OG 3.32Å; A351-S355 WeakPolarHBondContact O-CB 3.38Å; A351-S355 PolarHBondContact O-N 2.89Å; A351-S355 VanDerWaalsContact O-N 3.11Å; A351-S355 PolarHBondContact O-OG 3.02Å; I352-S355 PolarHBondContact O-N 2.98Å; S355-N359 WeakPolarHBondContact O-CB 3.15Å; S355-N359 PolarHBondContact O-N 3.31Å; S355-N359 VanDerWaalsContact O-N 3.1Å
356	S	95	Very high	85.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-46.6	177.2	-58.3	0	0	0	0	112	R241 Q242 V243 I352 M360	R241-S356 WeakPolarHBondContact O-CB 3.47Å; Q242-S356 WeakPolarHBondContact CA-OG 3.27Å; V243-S356 PolarHBondContact N-OG 2.87Å; V243-S356 PolarHBondContact O-OG 3.4Å; I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.04Å; I352-S356 PolarHBondContact O-N 2.84Å; I352-S356 PolarHBondContact O-OG 2.94Å; S356-M360 WeakPolarHBondContact O-CB 3.28Å; S356-M360 VanDerWaalsContact O-CG 3.27Å; S356-M360 WeakPolarHBondContact O-CG 3.47Å; S356-M360 PolarHBondContact O-N 3.4Å
357	L	94.4	Very high	83.3	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-43.3	-179.6	-73.5	171.1	0	0	0	112.7	F240 V271 V304 V307 L353 K354 N359 M360 Y361	F240-L357 HydrophobicContact CD2-CD2 4.43Å; F240-L357 HydrophobicContact CE2-CD2 3.86Å; F240-L357 HydrophobicContact CE2-CG 4.13Å; V271-L357 HydrophobicContact CG1-CD2 4.35Å; V304-L357 HydrophobicContact CB-CD1 4.33Å; V304-L357 HydrophobicContact CG1-CD1 4.33Å; V304-L357 HydrophobicContact CG2-CD1 4.02Å; V307-L357 HydrophobicContact CB-CB 4.42Å; V307-L357 HydrophobicContact CB-CD1 4.41Å; V307-L357 HydrophobicContact CG1-CB 3.71Å; L353-L357 HydrophobicContact CD1-CD1 3.8Å; L353-L357 HydrophobicContact CD1-CG 4.07Å; L353-L357 HydrophobicContact CG-CD1 4.06Å; L353-L357 WeakPolarHBondContact O-CB 3.43Å; L353-L357 VanDerWaalsContact O-CG 3.31Å; L353-L357 WeakPolarHBondContact O-CG 3.42Å; L353-L357 PolarHBondContact O-N 2.88Å; K354-L357 PolarHBondContact O-N 3.33Å; L357-N359 PolarHBondContact O-N 2.98Å; L357-M360 PolarHBondContact O-N 3.44Å; L357-Y361 HydrophobicContact CB-CD2 4.46Å; L357-Y361 HydrophobicContact CB-CE2 4.15Å; L357-Y361 HydrophobicContact CD2-CE2 4.05Å; L357-Y361 WeakPolarHBondContact O-CD2 3.44Å; L357-Y361 PolarHBondContact O-N 3.24Å
358	I	92.8	Very high	80.6	Confident	29 Å²	29	46.3 Å²	46.3	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-57.1	-51.2	175.9	-72.9	170.2	0	0	0	109.9	I249 V307 K354 M360 Y361 E362	I249-I358 HydrophobicContact CD1-CD1 4.02Å; V307-I358 HydrophobicContact CG1-CG1 3.9Å; K354-I358 HydrophobicContact CG-CD1 3.91Å; K354-I358 WeakPolarHBondContact O-CG1 3.3Å; K354-I358 PolarHBondContact O-N 2.85Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.43Å; I358-Y361 PolarHBondContact O-N 3.03Å; I358-Y361 VanDerWaalsContact O-N 3.17Å; I358-E362 HydrophobicContact CG2-CG 4.3Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.48Å; I358-E362 WeakPolarHBondContact O-CB 3.28Å; I358-E362 WeakPolarHBondContact O-CG 3.47Å; I358-E362 PolarHBondContact O-N 3.24Å
359	N	91.7	Very high	77.9	Confident	82 Å²	82	50.9 Å²	50.9	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-41.1	178.6	-174.1	-101.5	0	0	0	112.9	V243 S355 L357 Y361 A363	V243-N359 HydrophobicContact CG2-CB 4.35Å; S355-N359 WeakPolarHBondContact O-CB 3.15Å; S355-N359 PolarHBondContact O-N 3.31Å; S355-N359 VanDerWaalsContact O-N 3.1Å; L357-N359 PolarHBondContact O-N 2.98Å; N359-Y361 VanDerWaalsContact C-N 3.35Å; N359-Y361 PolarHBondContact O-N 3.35Å; N359-A363 WeakPolarHBondContact O-CB 3.24Å; N359-A363 PolarHBondContact O-N 2.87Å
360	M	91.8	Very high	74.9	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-37.8	176.3	-78.5	-179.2	63.4	0	0	113.2	L238 P239 F240 R241 V271 S356 L357 I358	L238-M360 HydrophobicContact CB-CE 3.67Å; L238-M360 HydrophobicContact CD1-CE 4.21Å; P239-M360 VanDerWaalsContact O-CE 3.28Å; P239-M360 WeakPolarHBondContact O-CE 3.31Å; F240-M360 HydrophobicContact CD2-SD 4.01Å; F240-M360 HydrophobicContact CE2-SD 4.37Å; F240-M360 HydrophobicContact CG-SD 4.29Å; R241-M360 HydrophobicContact CB-CG 4.24Å; R241-M360 HydrophobicContact CB-SD 4.31Å; R241-M360 PolarHBondContact N-SD 2.57Å; V271-M360 HydrophobicContact CG1-CE 3.71Å; S356-M360 WeakPolarHBondContact O-CB 3.28Å; S356-M360 VanDerWaalsContact O-CG 3.27Å; S356-M360 WeakPolarHBondContact O-CG 3.47Å; S356-M360 PolarHBondContact O-N 3.4Å; L357-M360 PolarHBondContact O-N 3.44Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.43Å
361	Y	90.1	Very high	72	Confident	6 Å²	6	64.8 Å²	64.8	2%	0.024	36%	0.357	C	S	.	.	H	α-helix	trans	-82.6	-39.4	-179	-66.2	-49	0	0	0	113.1	V271 S272 V307 Y308 Y311 L357 I358 N359 A363 G364 V365	V271-Y361 WeakPolarHBondContact CG2-OH 3.44Å; S272-Y361 WeakPolarHBondContact O-CE1 3.37Å; S272-Y361 PolarHBondContact O-OH 2.87Å; V307-Y361 HydrophobicContact CG1-CD2 4.25Å; V307-Y361 HydrophobicContact CG1-CE2 4.38Å; Y308-Y361 HydrophobicContact CD2-CE1 4.22Å; Y308-Y361 HydrophobicContact CD2-CE2 4.24Å; Y308-Y361 AromaticContact CD2-CZ 3.73Å; Y308-Y361 WeakPolarHBondContact CD2-OH 3.37Å; Y308-Y361 HydrophobicContact CE2-CE1 4.33Å; Y311-Y361 AromaticContact CD2-CD2 3.63Å; Y311-Y361 HydrophobicContact CD2-CD2 3.63Å; Y311-Y361 AromaticContact CD2-CG 3.81Å; Y311-Y361 HydrophobicContact CD2-CG 3.81Å; Y311-Y361 AromaticContact CE2-CD2 3.7Å; Y311-Y361 HydrophobicContact CE2-CD2 3.7Å; Y311-Y361 HydrophobicContact CE2-CG 4.01Å; Y311-Y361 HydrophobicContact CG-CD2 4.45Å; Y311-Y361 HydrophobicContact CG-CG 4.2Å; L357-Y361 HydrophobicContact CB-CD2 4.46Å; L357-Y361 HydrophobicContact CB-CE2 4.15Å; L357-Y361 HydrophobicContact CD2-CE2 4.05Å; L357-Y361 WeakPolarHBondContact O-CD2 3.44Å; L357-Y361 PolarHBondContact O-N 3.24Å; I358-Y361 PolarHBondContact O-N 3.03Å; I358-Y361 VanDerWaalsContact O-N 3.17Å; N359-Y361 VanDerWaalsContact C-N 3.35Å; N359-Y361 PolarHBondContact O-N 3.35Å; Y361-A363 VanDerWaalsContact C-N 3.26Å; Y361-A363 PolarHBondContact O-N 3.04Å; Y361-G364 WeakPolarHBondContact O-CA 3.39Å; Y361-G364 PolarHBondContact O-N 3.07Å; Y361-V365 PolarHBondContact O-N 3.41Å
362	E	85.4	Confident	69.1	Low	102 Å²	102	74 Å²	74	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-57.7	-38.4	173.9	-72.8	174.4	166.7	0	0	112.2	Y311 I358 G364 V365	Y311-E362 HydrophobicContact CE1-CG 4.3Å; I358-E362 HydrophobicContact CG2-CG 4.3Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.48Å; I358-E362 WeakPolarHBondContact O-CB 3.28Å; I358-E362 WeakPolarHBondContact O-CG 3.47Å; I358-E362 PolarHBondContact O-N 3.24Å; E362-G364 PolarHBondContact O-N 3.41Å; E362-G364 VanDerWaalsContact O-N 3.12Å; E362-V365 PolarHBondContact O-N 3.41Å
363	A	69.8	Low	66.1	Low	59 Å²	59	78.9 Å²	78.9	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-65.8	-9.1	173.5	0	0	0	0	0	114.7	N359 Y361 K367	N359-A363 WeakPolarHBondContact O-CB 3.24Å; N359-A363 PolarHBondContact O-N 2.87Å; Y361-A363 VanDerWaalsContact C-N 3.26Å; Y361-A363 PolarHBondContact O-N 3.04Å; A363-K367 PolarHBondContact O-NZ 3.23Å
364	G	59.1	Low	63	Low	29 Å²	29	84 Å²	84	30%	0.299	46%	0.456	S	S	.	.	H	α-helix	trans	-94.9	-40.4	171.9	0	0	0	0	0	113.8	Y361 E362 N366 K367	Y361-G364 WeakPolarHBondContact O-CA 3.39Å; Y361-G364 PolarHBondContact O-N 3.07Å; E362-G364 PolarHBondContact O-N 3.41Å; E362-G364 VanDerWaalsContact O-N 3.12Å; G364-N366 PolarHBondContact O-N 3.2Å; G364-K367 PolarHBondContact O-N 2.96Å
365	V	55.2	Low	59.8	Low	97 Å²	97	89 Å²	89	59%	0.588	49%	0.489	S	S	*	.	H	α-helix	trans	-54.2	-34.2	-172.2	177.5	0	0	0	0	113.1	Y311 Y361 E362 K367	Y311-V365 HydrophobicContact CD1-CG2 4.03Å; Y311-V365 HydrophobicContact CE1-CG2 4.26Å; Y361-V365 PolarHBondContact O-N 3.41Å; E362-V365 PolarHBondContact O-N 3.41Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 2.82Å
366	N	42.8	Very low	56.8	Low	151 Å²	151	95.7 Å²	95.7	81%	0.807	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	18	-178.3	-68	-34.2	0	0	0	115	G364	G364-N366 PolarHBondContact O-N 3.2Å
367	K	45.3	Very low	53.8	Low	154 Å²	154	101 Å²	101	67%	0.67	57%	0.567	S	S	*	*			trans	-116	76.8	-178	-70.6	176.9	-179.2	157	0	113.6	A363 G364 V365 S369	A363-K367 PolarHBondContact O-NZ 3.23Å; G364-K367 PolarHBondContact O-N 2.96Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 2.82Å; K367-S369 PolarHBondContact O-N 2.97Å
368	M	33.5	Very low	50.7	Low	179 Å²	179	106 Å²	106	88%	0.882	60%	0.602	S	S	*	*			trans	-61.2	107.6	164	-76.6	-174.5	167.6	0	0	110.7	L370	M368-L370 PolarHBondContact O-N 2.84Å; M368-L370 VanDerWaalsContact O-N 3.08Å
369	S	34.2	Very low	47.8	Very low	105 Å²	105	109.2 Å²	109.2	73%	0.734	63%	0.632	S	S	*	*			trans	-77.7	91.1	171.2	-66.9	0	0	0	0	109.6	K367 N371	K367-S369 PolarHBondContact O-N 2.97Å; S369-N371 PolarHBondContact O-N 3.37Å
370	L	29.4	Very low	44.7	Very low	151 Å²	151	111.4 Å²	111.4	79%	0.791	65%	0.654	S	S	*	*			trans	-63.9	100.6	172.6	-73.3	172	0	0	0	109.8	M368 Y372	M368-L370 PolarHBondContact O-N 2.84Å; M368-L370 VanDerWaalsContact O-N 3.08Å; L370-Y372 PolarHBondContact O-N 3.45Å
371	N	32.8	Very low	41.6	Very low	156 Å²	156	119 Å²	119	83%	0.834	69%	0.687	S	S	*	*			trans	-71.2	67.2	171.7	-82.3	-28.2	0	0	0	110.8	S369 T373	S369-N371 PolarHBondContact O-N 3.37Å; N371-T373 PolarHBondContact O-N 2.84Å; N371-T373 VanDerWaalsContact O-N 3.16Å
372	Y	30.8	Very low	38.6	Very low	192 Å²	192	126 Å²	126	75%	0.753	72%	0.719	S	S	*	*			trans	-79.5	95.7	176.6	-147.7	-82.6	0	0	0	109.6	L370 P374	L370-Y372 PolarHBondContact O-N 3.45Å; Y372-P374 VanDerWaalsContact O-CD 3.25Å; Y372-P374 WeakPolarHBondContact O-CD 3.32Å
373	T	29.7	Very low	35.7	Very low	116 Å²	116	126.5 Å²	126.5	71%	0.712	73%	0.73	S	S	*	*			trans	-72	113	164.3	46.7	0	0	0	0	108.6	N371 T375	N371-T373 PolarHBondContact O-N 2.84Å; N371-T373 VanDerWaalsContact O-N 3.16Å; T373-T375 PolarHBondContact O-N 3.24Å
374	P	31.8	Very low	33.5	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	74%	0.741	S	S	*	*			trans	-75.2	102.4	-177.3	30.4	-33.4	0	0	0	110.2	Y372 V376	Y372-P374 VanDerWaalsContact O-CD 3.25Å; Y372-P374 WeakPolarHBondContact O-CD 3.32Å; P374-V376 PolarHBondContact O-N 3.28Å
375	T	26.4	Very low	31.9	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	77%	0.766	S	S	*	*			trans	-67.2	114.7	163	28.7	0	0	0	0	109	T373 S377	T373-T375 PolarHBondContact O-N 3.24Å; T375-S377 PolarHBondContact O-N 3.44Å
376	V	31.6	Very low	31	Very low	150 Å²	150	137.8 Å²	137.8	91%	0.909	77%	0.771	S	S	*	*			trans	-68.4	120.3	177.8	-179.6	0	0	0	0	109.2	P374	P374-V376 PolarHBondContact O-N 3.28Å
377	S	30.5	Very low	30.3	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	77%	0.767	S	S	*	*			trans	-131.1	152.3	171.2	-167.8	0	0	0	0	110.5	T375	T375-S377 PolarHBondContact O-N 3.44Å
378	S	29.1	Very low	29.5	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	77%	0.767	S	S	*	*			trans	-76.4	129.7	-162.5	51.2	0	0	0	0	115.4
379	A	31.9	Very low	29.3	Very low	96 Å²	96	132.7 Å²	132.7	79%	0.793	75%	0.754	S	S	*	*			trans	27.5	126.5	142.8	0	0	0	0	0	120.8
380	S	27.9	Very low	28.9	Very low	128 Å²	128	134.9 Å²	134.9	90%	0.895	75%	0.751	S	S	*	*			trans	-151.3	157.8	146.6	-77.9	0	0	0	0	110.3
381	K	26.9	Very low	28.7	Very low	176 Å²	176	132 Å²	132	77%	0.765	75%	0.749	S	S	*	*			trans	-96.1	170	-163.3	-55.1	164.5	87	-145	0	113.2
382	E	25.7	Very low	28.4	Very low	151 Å²	151	133.5 Å²	133.5	71%	0.706	75%	0.751	S	S	*	*			trans	71.4	149.3	148.3	-80.7	148.1	-129.3	0	0	118.2
383	V	25.5	Very low	28.9	Very low	114 Å²	114	130 Å²	130	69%	0.691	75%	0.751	S	S	*	*			cis	-157.4	168.2	-14.3	99.7	0	0	0	0	110.8
384	H	23.4	Very low	28.7	Very low	159 Å²	159	128.6 Å²	128.6	74%	0.736	75%	0.752	S	S	*	*			trans	21.6	137.1	168.4	-63.1	-30.3	0	0	0	122
385	L	26.2	Very low	28.6	Very low	156 Å²	156	132 Å²	132	82%	0.817	76%	0.759	S	S	*	*				57	152.1	59	-71.5	174.8	0	0	0	114.1
386	P	35.6	Very low	28.5	Very low	106 Å²	106	131 Å²	131	69%	0.688	75%	0.752	S	S	*	*			cis	-146.5	-171.6	25.3	43	-22	0	0	0	118.2
387	V	28.9	Very low	28.3	Very low	121 Å²	121	131.2 Å²	131.2	73%	0.733	75%	0.748	S	S	*	*			trans	68.8	131.7	144.3	153	0	0	0	0	119.2
388	E	28	Very low	28.1	Very low	141 Å²	141	134.7 Å²	134.7	66%	0.659	75%	0.752	S	S	*	*			cis	-147.9	-133.7	-10.7	-140.6	172.6	-57.9	0	0	109	K390	E388-K390 IonicContact OE2-NZ 3.57Å; E388-K390 PolarHBondContact OE2-NZ 2.96Å
389	D	28.2	Very low	28.4	Very low	116 Å²	116	135.6 Å²	135.6	62%	0.62	76%	0.755	S	S	*	*			cis	-155	169.9	1.9	-149.2	-0.3	0	0	0	115.7
390	K	26.3	Very low	28	Very low	151 Å²	151	134.4 Å²	134.4	66%	0.657	75%	0.752	S	S	*	*			trans	-25.7	160.2	166.8	-74.1	160.3	-156.6	81.9	0	121.1	E388	E388-K390 IonicContact OE2-NZ 3.57Å; E388-K390 PolarHBondContact OE2-NZ 2.96Å
391	A	26.3	Very low	28	Very low	91 Å²	91	135.1 Å²	135.1	75%	0.752	75%	0.752	S	S	*	*			cis	-165.9	171.4	-6.5	0	0	0	0	0	113.8
392	E	25.5	Very low	28.1	Very low	186 Å²	186	132.6 Å²	132.6	87%	0.869	75%	0.753	S	S	*	*			trans	-87.9	-155.7	171.2	-37.2	-179.3	123.3	0	0	111.6
393	P	40.7	Very low	28.1	Very low	118 Å²	118	130.9 Å²	130.9	77%	0.766	76%	0.758	S	S	*	*			cis	-148.2	-159.5	23.4	45.7	-22.4	0	0	0	118.2
394	A	26.7	Very low	28.4	Very low	88 Å²	88	131.6 Å²	131.6	73%	0.727	77%	0.765	S	S	*	*			trans	88.2	111.1	170.8	0	0	0	0	0	116.9
395	E	28.4	Very low	28.8	Very low	179 Å²	179	134 Å²	134	84%	0.836	77%	0.773	S	S	*	*				82.8	139.4	66.2	-81.2	-161.6	-143.3	0	0	114.3
396	T	25.3	Very low	28.9	Very low	105 Å²	105	131.4 Å²	131.4	64%	0.644	77%	0.769	S	S	*	*			cis	-151.6	171.3	3.1	-10.3	0	0	0	0	112.6
397	N	27.1	Very low	28.7	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	77%	0.774	S	S	*	*			trans	85.7	156.3	157.2	-67.2	-33.2	0	0	0	122.5
398	Q	27.4	Very low	28.8	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	78%	0.784	S	S	*	*			trans	-118.2	-175.6	-166.5	-61.3	-171.1	19.7	0	0	110.8
399	P	34.6	Very low	29	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	79%	0.79	S	S	*	*			cis	-135.5	169.5	2.8	42.1	-24.8	0	0	0	117.1
400	G	24.1	Very low	29.2	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	80%	0.799	S	S	*	*			trans	164.2	90.3	169.9	0	0	0	0	0	115.6
401	T	26.3	Very low	29.6	Very low	144 Å²	144	134.8 Å²	134.8	88%	0.883	80%	0.8	S	S	*	*			trans	-31.1	119.2	176.9	46.4	0	0	0	0	117.7
402	P	28.8	Very low	30	Very low	122 Å²	122	134.5 Å²	134.5	79%	0.792	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-97.7	153.9	170.7	36.8	-33.3	0	0	0	113.7
403	S	26.8	Very low	30.3	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-94.7	126.4	167.4	52.1	0	0	0	0	111.1
404	P	31.4	Very low	29.9	Very low	129 Å²	129	136.5 Å²	136.5	84%	0.838	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85.5	136.4	-172	31.7	-34.4	0	0	0	113.6
405	K	32.2	Very low	30.2	Very low	208 Å²	208	136.5 Å²	136.5	90%	0.904	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-87.3	139.4	157.6	-59.8	170.8	-176.6	171.8	0	108.4
406	S	29.1	Very low	30.3	Very low	103 Å²	103	131 Å²	131	72%	0.72	78%	0.782	S	S	*	*			trans	-155	118.4	152.6	-166.9	0	0	0	0	113.5
407	T	31.5	Very low	30.6	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	79%	0.794	S	S	*	*			trans	0.9	132.2	134.3	21.8	0	0	0	0	119
408	M	29.5	Very low	30.5	Very low	190 Å²	190	133.5 Å²	133.5	94%	0.936	79%	0.791	S	S	*	*			trans	-120.7	145.2	157.6	-90.1	-72.6	-176.7	0	0	109.8
409	N	31.7	Very low	30.5	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	79%	0.785	S	S	*	*			trans	-94.7	139.5	-161.2	-146.9	-24.7	0	0	0	113.1	A411	N409-A411 PolarHBondContact O-N 3.09Å
410	L	32.7	Very low	30.3	Very low	157 Å²	157	132.2 Å²	132.2	82%	0.822	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	35.3	-169.6	-161.7	64.6	0	0	0	114.1
411	A	35.6	Very low	30.3	Very low	82 Å²	82	135.7 Å²	135.7	68%	0.678	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-32.5	177.1	0	0	0	0	0	113	N409 L413	N409-A411 PolarHBondContact O-N 3.09Å; A411-L413 PolarHBondContact O-N 3.33Å
412	A	35.2	Very low	30.2	Very low	84 Å²	84	134.9 Å²	134.9	69%	0.694	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-75.8	-23.6	-170.3	0	0	0	0	0	114.9	K414	A412-K414 PolarHBondContact O-N 2.89Å
413	L	32.1	Very low	30.1	Very low	141 Å²	141	133.3 Å²	133.3	74%	0.738	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-84.3	-6	-168.8	-114.3	160.9	0	0	0	115.1	A411	A411-L413 PolarHBondContact O-N 3.33Å
414	K	32	Very low	30.1	Very low	206 Å²	206	136.1 Å²	136.1	90%	0.896	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-85.9	-6.9	176.4	-89.9	-175.8	174.3	178.2	0	114.8	A412	A412-K414 PolarHBondContact O-N 2.89Å
415	A	33.3	Very low	29.8	Very low	87 Å²	87	136 Å²	136	72%	0.719	79%	0.785	S	S	*	*	S	Bend	trans	-94.8	-2.8	-174.4	0	0	0	0	0	115
416	A	29.8	Very low	29.4	Very low	64 Å²	64	129.3 Å²	129.3	53%	0.529	78%	0.775	S	S	.	*	S	Bend	trans	-89.6	-16.2	-159.9	0	0	0	0	0	117.2
417	F	30.7	Very low	29.1	Very low	203 Å²	203	129.4 Å²	129.4	89%	0.89	78%	0.776	S	S	*	*	S	Bend	trans	-133.9	56	-171.4	-80.8	-76.9	0	0	0	114.7
418	S	25.6	Very low	28.8	Very low	110 Å²	110	132 Å²	132	77%	0.769	78%	0.776	S	S	*	*			trans	-166	129.3	155.6	-78.3	0	0	0	0	107.3
419	N	27.1	Very low	28.5	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	77%	0.768	S	S	*	*			cis	-159.6	158.6	8.6	-152.4	-2.9	0	0	0	111.5
420	Q	30	Very low	28.1	Very low	147 Å²	147	126 Å²	126	69%	0.687	77%	0.765	S	S	*	*			trans	70.1	134.4	156.7	-68.5	-179.8	33.2	0	0	124.3
421	N	25.8	Very low	27.7	Very low	144 Å²	144	124.6 Å²	124.6	77%	0.77	76%	0.762	S	S	*	*			trans	58.9	114.5	134.3	-60.1	-12.4	0	0	0	123.7
422	S	24.2	Very low	27.3	Very low	127 Å²	127	127.5 Å²	127.5	89%	0.888	76%	0.762	S	S	*	*			trans	-147.6	168.6	131.1	68.4	0	0	0	0	109.5
423	A	25.2	Very low	26.8	Very low	89 Å²	89	131.7 Å²	131.7	74%	0.736	76%	0.764	S	S	*	*			trans	-150.9	167.1	-162.3	0	0	0	0	0	116.7
424	L	27	Very low	26.4	Very low	174 Å²	174	129.3 Å²	129.3	91%	0.911	77%	0.765	S	S	*	*			trans	81.6	156.3	153.1	-76.9	163.9	0	0	0	122
425	S	24.9	Very low	26.1	Very low	127 Å²	127	125.3 Å²	125.3	89%	0.888	76%	0.763	S	S	*	*			trans	81.3	127.9	177.8	-156.7	0	0	0	0	116.3
426	G	24.1	Very low	25.8	Very low	68 Å²	68	130.9 Å²	130.9	70%	0.701	77%	0.771	S	S	*	*			cis	172.6	154.2	-4.1	0	0	0	0	0	108.3
427	S	23	Very low	25.7	Very low	104 Å²	104	134 Å²	134	73%	0.727	79%	0.789	S	S	*	*			cis	-174	179.5	29	60	0	0	0	0	111
428	K	24.9	Very low	25.5	Very low	186 Å²	186	127.5 Å²	127.5	81%	0.809	78%	0.78	S	S	*	*			trans	68.4	103.7	162.9	-66.8	173.1	-176.2	178.5	0	116.6
429	S	22.8	Very low	25.8	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	78%	0.784	S	S	*	*				76.1	134.9	83.1	71.6	0	0	0	0	113.8
430	S	24.2	Very low	25.7	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	79%	0.79	S	S	*	*			cis	-157.7	142.9	24.9	51	0	0	0	0	114.6
431	T	25.2	Very low	25.6	Very low	127 Å²	127	130.1 Å²	130.1	78%	0.779	80%	0.8	S	S	*	*			trans	16.2	142.2	137.9	32.2	0	0	0	0	121
432	E	26.4	Very low	25.7	Very low	142 Å²	142	133.1 Å²	133.1	66%	0.664	81%	0.806	S	S	*	*			cis	-146.6	-172.7	9.7	-58	-158.3	94.1	0	0	111.4
433	K	25.2	Very low	25.8	Very low	172 Å²	172	133.2 Å²	133.2	75%	0.748	80%	0.802	S	S	*	*			cis	-152.6	-174.2	-1	-142.6	162.9	-165.2	138.8	0	112.9
434	A	23.7	Very low	25.7	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	81%	0.806	S	S	*	*			trans	-53.9	146.3	-178.5	0	0	0	0	0	120.5
435	S	25.8	Very low	25.7	Very low	123 Å²	123	136.4 Å²	136.4	86%	0.86	80%	0.801	S	S	*	*				-159.6	174.9	108.6	62.9	0	0	0	0	111.3
436	K	26.4	Very low	25.7	Very low	203 Å²	203	135.7 Å²	135.7	88%	0.883	80%	0.795	S	S	*	*			trans	-104.9	133	-166.7	-60.3	173	-178.6	174.2	0	113.2
437	S	28.5	Very low	25.7	Very low	130 Å²	130	142.2 Å²	142.2	91%	0.909	80%	0.804	S	S	*	*			trans	177.1	157.5	132.9	46.7	0	0	0	0	110.8
438	G	24.8	Very low	25.8	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	81%	0.811	S	S	*	*			trans	-162.8	133	175.3	0	0	0	0	0	111.8
439	P	31.8	Very low	25.8	Very low	133 Å²	133	148.1 Å²	148.1	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97.5	128.2	172.5	34.2	-28.9	0	0	0	111.6
440	S	26.8	Very low	25.8	Very low	121 Å²	121	146.7 Å²	146.7	85%	0.846	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.5	132.7	179.4	-55.8	0	0	0	0	112.4
441	Q	26.7	Very low	25.8	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78.4	133.1	166.3	-68.7	-179.2	-35.3	0	0	110.9
442	K	27.5	Very low	25.8	Very low	208 Å²	208	147.3 Å²	147.3	90%	0.904	82%	0.824	S	S	*	*			trans	-142.2	129	158.8	-81.9	-162.8	175.1	-177.9	0	113.7
443	T	26.3	Very low	25.6	Very low	129 Å²	129	150.3 Å²	150.3	79%	0.791	84%	0.835	S	S	*	*			trans	-47.7	148.2	167.8	-42.5	0	0	0	0	115.8
444	L	24.8	Very low	25.6	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	84%	0.835	S	S	*	*			trans	-158.9	126.8	134.7	-92.4	171.4	0	0	0	105.8
445	Q	25.5	Very low	25.9	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	84%	0.835	S	S	*	*				75.6	134.2	53.7	-122.4	179.1	11.4	0	0	115
446	C	24.6	Very low	25.8	Very low	113 Å²	113	149 Å²	149	76%	0.764	83%	0.833	S	S	*	*			trans	-94	161.3	-174.6	-51.1	0	0	0	0	112.4
447	F	24.4	Very low	25.7	Very low	204 Å²	204	148 Å²	148	90%	0.895	83%	0.831	S	S	*	*				179.3	163.3	108.6	-110.4	-82.8	0	0	0	113.3
448	F	26.3	Very low	26.1	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.873	82%	0.821	S	S	*	*			trans	-77.7	141	171.7	-92.5	-101.1	0	0	0	112.8
449	K	23.8	Very low	25.9	Very low	216 Å²	216	154 Å²	154	94%	0.939	83%	0.827	S	S	*	*			trans	-165.2	151.8	138.7	-109.4	173.7	-176.8	-179	0	108.6
450	G	23.2	Very low	25.6	Very low	80 Å²	80	157.4 Å²	157.4	83%	0.825	82%	0.823	S	S	*	*			trans	-147	163.3	179.5	0	0	0	0	0	112.5
451	S	23.4	Very low	25.4	Very low	116 Å²	116	159 Å²	159	81%	0.811	82%	0.817	S	S	*	*			trans	-160.5	130.6	165.3	-164.4	0	0	0	0	113
452	V	24.9	Very low	25.3	Very low	125 Å²	125	154.3 Å²	154.3	76%	0.758	81%	0.811	S	S	*	*			trans	11.3	124.9	149.5	-170.4	0	0	0	0	119.8
453	K	23.9	Very low	25.2	Very low	205 Å²	205	148.5 Å²	148.5	89%	0.891	80%	0.802	S	S	*	*				-172.1	154.2	122.9	-104.1	166.6	-173.7	179.4	0	114.4
454	S	24.2	Very low	25.1	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	81%	0.809	S	S	*	*			trans	-92.1	160.5	-176.1	-32.6	0	0	0	0	113.5
455	P	29.5	Very low	25.1	Very low	115 Å²	115	149 Å²	149	75%	0.747	81%	0.81	S	S	*	*				-136.4	156.4	118.2	38.1	-27.3	0	0	0	111.8
456	V	23.6	Very low	25.1	Very low	136 Å²	136	146.6 Å²	146.6	82%	0.824	81%	0.812	S	S	*	*			cis	79.2	108.1	36.9	-177	0	0	0	0	113.8
457	Q	25.6	Very low	25.1	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	82%	0.818	S	S	*	*			trans	-87.5	171.6	162.6	-73.3	-171.8	-7.2	0	0	109.7
458	P	36.8	Very low	25.2	Very low	107 Å²	107	143 Å²	143	70%	0.695	81%	0.81	S	S	*	*			cis	-148.1	-164.6	23.6	43.8	-22.1	0	0	0	117.8
459	R	21.3	Very low	25.1	Very low	217 Å²	217	139.6 Å²	139.6	82%	0.819	81%	0.805	S	S	*	*			trans	77.9	120.2	165.3	-72.8	-178.3	176.4	-161.7	-0.6	116.9
460	R	23.9	Very low	25.1	Very low	205 Å²	205	141.4 Å²	141.4	77%	0.774	81%	0.806	S	S	*	*				71.7	139	91.3	-70.3	-168.5	179.5	-169.5	0.4	112.7
461	E	22.7	Very low	25.1	Very low	153 Å²	153	140.7 Å²	140.7	72%	0.715	79%	0.793	S	S	*	*			cis	-159.6	159.1	32.5	-147.8	150.7	-115.7	0	0	114.1
462	A	24.4	Very low	25.2	Very low	96 Å²	96	143.5 Å²	143.5	79%	0.793	79%	0.793	S	S	*	*			trans	51.4	152.3	153.2	0	0	0	0	0	122.8
463	A	25.7	Very low	25.1	Very low	86 Å²	86	144.2 Å²	144.2	71%	0.711	79%	0.792	S	S	*	*			cis	-171.2	173.2	-20.9	0	0	0	0	0	110.7
464	K	25.2	Very low	25.3	Very low	216 Å²	216	142.6 Å²	142.6	94%	0.939	79%	0.787	S	S	*	*			trans	76.1	130.1	179	-49.9	174.7	-177.7	177.4	0	115.5
465	G	25	Very low	25.2	Very low	81 Å²	81	146.9 Å²	146.9	84%	0.835	79%	0.787	S	S	*	*			cis	140.8	116.9	-18.7	0	0	0	0	0	115.3
466	S	24.4	Very low	24.9	Very low	121 Å²	121	148.5 Å²	148.5	85%	0.846	78%	0.782	S	S	*	*			trans	-165.3	165.8	153.6	-163	0	0	0	0	111.4
467	L	25.9	Very low	24.9	Very low	169 Å²	169	152.3 Å²	152.3	89%	0.885	78%	0.782	S	S	*	*			trans	-92.2	165	176.9	-62.8	88.8	0	0	0	110.5
468	G	25.1	Very low	24.9	Very low	71 Å²	71	150.3 Å²	150.3	73%	0.732	78%	0.777	S	S	*	*			cis	-176.3	-174.7	2.7	0	0	0	0	0	114.5
469	V	25.6	Very low	24.3	Very low	128 Å²	128	154.1 Å²	154.1	78%	0.776	79%	0.786	S	S	*	*			trans	-61.8	142.2	-171.5	177.1	0	0	0	0	114.6
470	W	23.4	Very low	24.5	Very low	254 Å²	254	155 Å²	155	96%	0.962	79%	0.789	S	S	*	*			trans	-140.2	153.5	134.3	-102	92.5	0	0	0	110.1
471	A	23.6	Very low	24.5	Very low	66 Å²	66	149.6 Å²	149.6	55%	0.545	79%	0.788	S	S	.	*			trans	-139.3	148.2	-174.5	0	0	0	0	0	112.8
472	E	24.6	Very low	24.5	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	79%	0.789	S	S	*	*			trans	73.1	160.1	144.3	-120.7	-179.4	119.5	0	0	122.9
473	L	24	Very low	24.5	Very low	141 Å²	141	149.3 Å²	149.3	74%	0.738	79%	0.791	S	S	*	*			trans	86.1	130.4	150.5	-86.7	157	0	0	0	122
474	H	27.4	Very low	24.4	Very low	171 Å²	171	154.7 Å²	154.7	79%	0.792	79%	0.793	S	S	*	*			trans	-65.1	154.4	171.2	-46.7	-105.4	0	0	0	112.5
475	R	21.7	Very low	24.4	Very low	197 Å²	197	150.1 Å²	150.1	74%	0.743	78%	0.775	S	S	*	*				170.7	142.3	122.8	-96.9	171.9	63.2	117.6	-1	113.3
476	F	23.8	Very low	24.4	Very low	149 Å²	149	154.1 Å²	154.1	65%	0.654	78%	0.777	S	S	*	*			trans	69.8	160.6	143.3	-80.7	-134.1	0	0	0	116.6
477	R	24	Very low	24.5	Very low	217 Å²	217	154.9 Å²	154.9	82%	0.819	77%	0.771	S	S	*	*			cis	-157.9	157.4	-19.1	176.9	-179.8	-162	-179	4.4	109.6
478	N	25.1	Very low	24.6	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	77%	0.77	S	S	*	*			trans	-40.2	126.7	167.2	-175.6	37.7	0	0	0	117.6
479	E	24.1	Very low	24.8	Very low	186 Å²	186	158.1 Å²	158.1	87%	0.869	78%	0.777	S	S	*	*			trans	-162.5	134.9	155.4	-105.7	157.6	-146.9	0	0	107.2
480	R	24.7	Very low	24.8	Very low	237 Å²	237	164 Å²	164	89%	0.894	79%	0.785	S	S	*	*			cis	91.1	83.3	35.7	-96.7	-164.8	173.9	-169.6	-0.7	117
481	A	24.6	Very low	24.9	Very low	90 Å²	90	155.3 Å²	155.3	74%	0.744	77%	0.774	S	S	*	*			trans	-162.8	131	148	0	0	0	0	0	107.1
482	S	22.4	Very low	25	Very low	105 Å²	105	160.6 Å²	160.6	73%	0.734	79%	0.792	S	S	*	*			cis	90.6	140.2	33.2	76.9	0	0	0	0	114.4
483	V	24.6	Very low	25	Very low	138 Å²	138	157 Å²	157	84%	0.836	79%	0.792	S	S	*	*			trans	79.9	127	-174.3	-177.8	0	0	0	0	112.4
484	R	24.1	Very low	25.1	Very low	200 Å²	200	156.9 Å²	156.9	76%	0.755	80%	0.797	S	S	*	*			cis	-146.7	-167	-3	-139.3	-172.2	147	91.7	19.5	112.6
485	E	24.8	Very low	24.9	Very low	119 Å²	119	157.5 Å²	157.5	56%	0.556	80%	0.8	S	S	*	*			trans	-72.1	160.2	179.8	-56.2	116	-151.5	0	0	115.6
486	N	25	Very low	25	Very low	165 Å²	165	153.3 Å²	153.3	88%	0.882	80%	0.801	S	S	*	*				-158.5	131.8	113.5	-134.3	7.3	0	0	0	110.9
487	D	26.5	Very low	25.1	Very low	137 Å²	137	155.7 Å²	155.7	73%	0.733	81%	0.814	S	S	*	*			trans	-90	158	-174.7	-65.7	-61.8	0	0	0	113.9
488	S	27.4	Very low	25.2	Very low	123 Å²	123	151.8 Å²	151.8	86%	0.86	81%	0.81	S	S	*	*			trans	-163.5	104.7	144.3	23.3	0	0	0	0	110.6
489	E	28.9	Very low	25.6	Very low	185 Å²	185	151 Å²	151	86%	0.864	81%	0.812	S	S	*	*			trans	-74.3	150.9	175.5	-58.1	179.6	111.6	0	0	112.2
490	R	26.8	Very low	25.7	Very low	253 Å²	253	149.5 Å²	149.5	96%	0.955	81%	0.805	S	S	*	*			trans	-159	92.4	135.5	-112.8	174.5	-165.5	-146.3	1.4	110.6
491	G	24.7	Very low	25.8	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	80%	0.801	S	S	*	*			trans	-83.6	150.3	167.3	0	0	0	0	0	111.8
492	L	25.1	Very low	26.5	Very low	177 Å²	177	147.7 Å²	147.7	93%	0.927	80%	0.801	S	S	*	*			trans	-134.5	118.4	153.9	-84.8	174	0	0	0	107
493	A	24.7	Very low	26.6	Very low	98 Å²	98	148.3 Å²	148.3	81%	0.81	80%	0.8	S	S	*	*			trans	-112.2	138.1	170	0	0	0	0	0	108.1
494	V	26.3	Very low	26.6	Very low	138 Å²	138	146.5 Å²	146.5	84%	0.836	79%	0.794	S	S	*	*			trans	-133.5	152.5	171	179.8	0	0	0	0	107.8
495	E	23.8	Very low	26.6	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	80%	0.798	S	S	*	*			trans	-77	165.7	-154.3	-62.5	162	120.6	0	0	115.4
496	S	23.9	Very low	26.6	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	81%	0.81	S	S	*	*			trans	-66.8	144.4	168.6	52.5	0	0	0	0	113.1
497	Q	25.3	Very low	26.7	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	81%	0.805	S	S	*	*			trans	-152.2	145.7	149.3	-119.7	162.2	66.2	0	0	111.8
498	D	26.8	Very low	26.6	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	81%	0.807	S	S	*	*			trans	-118	138.6	-177.2	-174.6	35.5	0	0	0	108.4
499	P	33	Very low	26.5	Very low	121 Å²	121	146.5 Å²	146.5	79%	0.786	80%	0.8	S	S	*	*			trans	-137.5	154.7	150.2	35.5	-21.1	0	0	0	114.7
500	Q	26.6	Very low	26.2	Very low	156 Å²	156	146.2 Å²	146.2	73%	0.729	80%	0.799	S	S	*	*			trans	-102.1	144.4	-165.1	-59.2	172	-13.7	0	0	114.7
501	H	27.3	Very low	26.1	Very low	173 Å²	173	140.8 Å²	140.8	80%	0.801	79%	0.788	S	S	*	*			trans	59.9	172.9	151	-68	-49.2	0	0	0	119
502	P	38.2	Very low	26.1	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	79%	0.792	S	S	*	*			cis	-105.4	-164.3	-15.9	21.8	1.9	0	0	0	110.2
503	V	25.9	Very low	26.1	Very low	117 Å²	117	140.5 Å²	140.5	71%	0.709	78%	0.78	S	S	*	*			cis	-157.3	152.8	44.6	169.1	0	0	0	0	110.4	F505	V503-F505 HydrophobicContact CG1-CD2 4.19Å; V503-F505 HydrophobicContact CG1-CE2 4.08Å
504	S	22.7	Very low	26.2	Very low	101 Å²	101	144.3 Å²	144.3	71%	0.706	78%	0.78	S	S	*	*			trans	-97.7	140.6	175.2	-179.4	0	0	0	0	112.2
505	F	24.9	Very low	26	Very low	193 Å²	193	145.2 Å²	145.2	85%	0.846	78%	0.78	S	S	*	*			trans	-130.6	139.1	159.2	-91	-86.9	0	0	0	110.3	V503	V503-F505 HydrophobicContact CG1-CD2 4.19Å; V503-F505 HydrophobicContact CG1-CE2 4.08Å
506	K	24.7	Very low	26.1	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-90.3	146.4	177.2	-59.6	175.5	-179.6	177.4	0	110.1
507	P	27.4	Very low	26.1	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.8	145.4	155.2	31.6	-32.5	0	0	0	109.7
508	V	24.4	Very low	26.1	Very low	127 Å²	127	136.8 Å²	136.8	77%	0.77	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-79.3	144.6	171.9	175.3	0	0	0	0	109.2	E510	V508-E510 HydrophobicContact CG1-CG 4.11Å
509	V	25.2	Very low	25.9	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.715	76%	0.762	S	S	*	*			trans	-108.5	118.6	168.1	178.1	0	0	0	0	107.4
510	E	23.5	Very low	25.5	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	76%	0.76	S	S	*	*			trans	-111.9	128.1	164.8	-72.9	-170	137.8	0	0	109.4	V508	V508-E510 HydrophobicContact CG1-CG 4.11Å
511	N	24.3	Very low	25.4	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	76%	0.76	S	S	*	*			trans	-105.5	125.2	174.3	-72.7	-32.8	0	0	0	108.9
512	V	25.2	Very low	25.3	Very low	132 Å²	132	134.6 Å²	134.6	80%	0.8	76%	0.755	S	S	*	*			trans	-139.1	84.4	158.8	-175.4	0	0	0	0	105.8
513	T	23.3	Very low	24.7	Very low	110 Å²	110	136.1 Å²	136.1	68%	0.675	75%	0.751	S	S	*	*				55.2	119.7	88.3	66.6	0	0	0	0	114.8
514	H	26.5	Very low	24.6	Very low	178 Å²	178	138.1 Å²	138.1	82%	0.824	75%	0.753	S	S	*	*			trans	5.2	137.2	153.9	-72.6	-97.8	0	0	0	119.5
515	D	22.3	Very low	24.9	Very low	157 Å²	157	141 Å²	141	84%	0.84	76%	0.76	S	S	*	*				-138.2	162.1	114.2	-153.3	-8.8	0	0	0	110.7
516	S	25.8	Very low	25.6	Very low	85 Å²	85	136.8 Å²	136.8	59%	0.594	75%	0.752	S	S	*	*			trans	-157.8	117.8	-172.8	55.6	0	0	0	0	113.1
517	S	24.4	Very low	25.7	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	75%	0.753	S	S	*	*			trans	-145.3	129.4	161.5	43.6	0	0	0	0	108.5
518	V	24.6	Very low	25.6	Very low	115 Å²	115	138.3 Å²	138.3	70%	0.697	76%	0.756	S	S	*	*			cis	98.4	103.4	28.3	175.8	0	0	0	0	113.2
519	S	24.3	Very low	25.5	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	76%	0.762	S	S	*	*			trans	169.9	107.1	141.3	-73.3	0	0	0	0	107.1
520	Q	24.3	Very low	25.4	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	77%	0.769	S	S	*	*				67.9	112.1	58.4	-63.4	-170.4	-45.6	0	0	115
521	N	24.9	Very low	25.4	Very low	134 Å²	134	141 Å²	141	72%	0.717	77%	0.771	S	S	*	*				-173.3	132.5	104.8	-86.3	-24.2	0	0	0	110.7
522	L	24.4	Very low	25.3	Very low	132 Å²	132	138.8 Å²	138.8	69%	0.691	77%	0.771	S	S	*	*				62.4	136.5	104	-50.4	175.4	0	0	0	114
523	H	25.1	Very low	25.1	Very low	147 Å²	147	138.5 Å²	138.5	68%	0.681	77%	0.774	S	S	*	*			cis	-156.7	-169.3	-2.6	-125	-20.5	0	0	0	107.5
524	E	24	Very low	25	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	78%	0.777	S	S	*	*			cis	-158.3	161.7	9.6	-138.7	149.5	-86.6	0	0	108.6
525	D	28.3	Very low	25.4	Very low	161 Å²	161	134.8 Å²	134.8	86%	0.861	77%	0.77	S	S	*	*			trans	-159.6	127.8	174.1	-129.6	-8.7	0	0	0	110.1
526	P	40.5	Very low	25.6	Very low	106 Å²	106	133.1 Å²	133.1	69%	0.688	77%	0.765	S	S	*	*			trans	-144.3	159.3	148.4	36.2	-21	0	0	0	112.9
527	E	26.8	Very low	25.5	Very low	174 Å²	174	137 Å²	137	81%	0.813	77%	0.774	S	S	*	*			cis	-160.9	161	-6.3	-108.7	173.8	160.3	0	0	105.5
528	L	25.4	Very low	25.5	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	77%	0.769	S	S	*	*				-164.2	153.4	66.5	-85.6	167.3	0	0	0	110.9
529	Q	22.2	Very low	25.5	Very low	189 Å²	189	137 Å²	137	88%	0.883	77%	0.768	S	S	*	*			trans	-107.3	156.9	176	-62.8	175.3	-33.1	0	0	112.6
530	A	24.2	Very low	25.6	Very low	104 Å²	104	138 Å²	138	86%	0.86	77%	0.77	S	S	*	*			trans	-158.7	122.4	142.8	0	0	0	0	0	110
531	E	22.5	Very low	25.6	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	77%	0.769	S	S	*	*			trans	-96.3	161.9	173.8	-57.6	-173.6	128.1	0	0	111.5
532	A	22.2	Very low	25.8	Very low	91 Å²	91	137.8 Å²	137.8	75%	0.752	77%	0.77	S	S	*	*				172	148.5	117.2	0	0	0	0	0	114.6
533	C	20.7	Very low	26.4	Very low	126 Å²	126	137 Å²	137	85%	0.851	77%	0.773	S	S	*	*			trans	60.3	113	148.3	-69.1	0	0	0	0	122.5
534	S	22	Very low	26.4	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	78%	0.782	S	S	*	*			trans	-76.1	-175	138.6	62.6	0	0	0	0	110.1
535	P	35	Very low	26.5	Very low	103 Å²	103	135.7 Å²	135.7	67%	0.669	78%	0.783	S	S	*	*			cis	-143.7	-175.3	16.2	42.9	-21.7	0	0	0	118.3
536	V	25.5	Very low	26.4	Very low	122 Å²	122	137.5 Å²	137.5	74%	0.739	78%	0.784	S	S	*	*			trans	62.7	166	166.7	-59.9	0	0	0	0	117.5
537	E	24.3	Very low	25.7	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	80%	0.797	S	S	*	*			cis	-158.4	170.1	-4.3	-124.8	154.2	-124	0	0	107
538	D	24.5	Very low	25.6	Very low	132 Å²	132	140.7 Å²	140.7	71%	0.706	79%	0.794	S	S	*	*			cis	-159.3	170	-1.3	-169.9	28.3	0	0	0	111.9
539	S	24	Very low	25.6	Very low	97 Å²	97	144.4 Å²	144.4	68%	0.678	80%	0.796	S	S	*	*			trans	70.7	159.7	145.4	-91.1	0	0	0	0	123.6
540	V	25.9	Very low	25.7	Very low	135 Å²	135	142.5 Å²	142.5	82%	0.818	78%	0.781	S	S	*	*			trans	-149.5	168	-168.9	-170	0	0	0	0	110.2
541	I	26.2	Very low	25.8	Very low	145 Å²	145	142.4 Å²	142.4	74%	0.744	77%	0.766	S	S	*	*			trans	114.9	106.6	154.5	-62	178.3	0	0	0	118.3
542	I	27.6	Very low	26.1	Very low	144 Å²	144	138.3 Å²	138.3	74%	0.738	75%	0.75	S	S	*	*			trans	23.6	149.6	138.5	-6.7	166.4	0	0	0	122
543	P	37.1	Very low	26.9	Very low	115 Å²	115	139.5 Å²	139.5	75%	0.747	75%	0.751	S	S	*	*				-134.6	148.3	83.4	12.2	11.8	0	0	0	114.9
544	E	25.1	Very low	27.3	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	74%	0.743	S	S	*	*				59.4	152.4	101	-53.5	-150	117.3	0	0	117.4
545	A	25.8	Very low	27.6	Very low	93 Å²	93	145.2 Å²	145.2	77%	0.769	74%	0.743	S	S	*	*			cis	-151.7	-178.5	16.4	0	0	0	0	0	114.2
546	K	27.7	Very low	27.3	Very low	200 Å²	200	146 Å²	146	87%	0.87	75%	0.746	S	S	*	*			trans	-90.5	144.4	-176	-56.1	159.3	-177.9	164.7	0	113.7
547	R	25.4	Very low	27.4	Very low	257 Å²	257	144.4 Å²	144.4	97%	0.97	75%	0.745	S	S	*	*				-171.4	144.6	126.5	-109.5	167.2	-176.3	172.8	3.8	117.6
548	A	24.1	Very low	27.9	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	75%	0.747	S	S	*	*			trans	-85.1	156.7	-173	0	0	0	0	0	116.7
549	R	26	Very low	28	Very low	239 Å²	239	149.9 Å²	149.9	90%	0.902	76%	0.757	S	S	*	*			trans	168.9	152.9	141.5	-94.6	162.2	-168.2	-156.4	5.5	108
550	R	23.9	Very low	28.2	Very low	150 Å²	150	151.7 Å²	151.7	57%	0.566	76%	0.764	S	S	*	*			cis	175.2	142.9	-18.6	-124.8	-171.9	177.6	-162.7	-1.2	105.2
551	D	25.7	Very low	29.3	Very low	102 Å²	102	150.7 Å²	150.7	55%	0.545	76%	0.76	S	S	.	*			trans	57.5	107.3	147.5	-50	-31.6	0	0	0	121.1
552	D	30	Very low	29.4	Very low	103 Å²	103	150.9 Å²	150.9	55%	0.551	76%	0.762	S	S	*	*			trans	-30.2	141.4	141.2	-168.6	33.1	0	0	0	112.3	R554	D552-R554 PolarHBondContact OD1-N 2.83Å; D552-R554 IonicContact OD1-NE 2.87Å; D552-R554 IonicContact OD2-CZ 3.54Å; D552-R554 VanDerWaalsContact OD2-CZ 3.27Å; D552-R554 IonicContact OD2-NE 3.32Å; D552-R554 PolarHBondContact OD2-NE 2.96Å; D552-R554 IonicContact OD2-NH2 3.08Å; D552-R554 PolarHBondContact OD2-NH2 3.4Å
553	P	39.7	Very low	29.8	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	76%	0.763	S	S	*	*				-142.1	136.9	80.7	37.8	-21.2	0	0	0	117.3
554	R	27.7	Very low	29.9	Very low	181 Å²	181	149.2 Å²	149.2	68%	0.683	77%	0.767	S	S	*	*			trans	-24.5	141.8	138.4	-62.1	160.1	-92.3	-176.7	-10.5	113.3	D552	D552-R554 PolarHBondContact OD1-N 2.83Å; D552-R554 IonicContact OD1-NE 2.87Å; D552-R554 IonicContact OD2-CZ 3.54Å; D552-R554 VanDerWaalsContact OD2-CZ 3.27Å; D552-R554 IonicContact OD2-NE 3.32Å; D552-R554 PolarHBondContact OD2-NE 2.96Å; D552-R554 IonicContact OD2-NH2 3.08Å; D552-R554 PolarHBondContact OD2-NH2 3.4Å
555	F	28.9	Very low	30.4	Very low	171 Å²	171	145.2 Å²	145.2	75%	0.75	76%	0.76	S	S	*	*				-176.7	149.1	82	-118.9	-94.7	0	0	0	111.1
556	T	29.1	Very low	31.1	Very low	121 Å²	121	145.4 Å²	145.4	74%	0.742	76%	0.756	S	S	*	*			trans	33.7	144.9	151.1	52.4	0	0	0	0	121.5
557	A	27.8	Very low	31.7	Very low	87 Å²	87	142 Å²	142	72%	0.719	75%	0.752	S	S	*	*			cis	-154	175.1	35.3	0	0	0	0	0	114.6
558	E	33	Very low	32.3	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.813	74%	0.741	S	S	*	*			trans	-18.2	128.8	156.9	-55.7	168.5	163.1	0	0	116.4
559	R	26.7	Very low	33.2	Very low	241 Å²	241	139.3 Å²	139.3	91%	0.909	75%	0.749	S	S	*	*				-171.8	147.6	109.7	-98	157.3	-167.5	-146.1	0.2	111.9
560	T	29.2	Very low	34.5	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	74%	0.738	S	S	*	*			trans	-91.6	176.4	163.2	58.8	0	0	0	0	109.1
561	P	48.1	Very low	35.9	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	75%	0.752	S	S	*	*				-100.9	154.4	-97.2	36.4	-24.3	0	0	0	112.4
562	D	29.8	Very low	36.8	Very low	148 Å²	148	133 Å²	133	79%	0.791	76%	0.759	S	S	*	*			trans	-147.4	117.7	160.7	-119.4	-41.7	0	0	0	114.3
563	T	34	Very low	37.9	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	77%	0.771	S	S	*	*			trans	39	127.1	132.3	-45.9	0	0	0	0	120.6
564	A	40.3	Very low	38.4	Very low	100 Å²	100	135.3 Å²	135.3	83%	0.826	77%	0.772	S	S	*	*			trans	-92.2	139.1	-179.4	0	0	0	0	0	114.9
565	S	36	Very low	39.8	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	78%	0.781	S	S	*	*			trans	-169.2	118.7	159.7	49.1	0	0	0	0	107
566	S	39.9	Very low	41.1	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	79%	0.787	S	S	*	*				95.4	139.4	55	72.7	0	0	0	0	112.8
567	T	40.8	Very low	42.6	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	79%	0.794	S	S	*	*			trans	67	148.4	171.3	69.3	0	0	0	0	116.3
568	T	37.8	Very low	44.4	Very low	121 Å²	121	146 Å²	146	74%	0.742	80%	0.798	S	S	*	*			cis	-160.1	153.3	-11.8	12.5	0	0	0	0	108.8
569	D	43.1	Very low	45.6	Very low	170 Å²	170	144.8 Å²	144.8	91%	0.909	79%	0.794	S	S	*	*			trans	-71.4	135.1	171.7	-73.5	-62.5	0	0	0	113
570	V	52.2	Low	47.2	Very low	112 Å²	112	138.6 Å²	138.6	68%	0.679	79%	0.785	S	S	*	*			trans	-140	127.8	170.8	-178.4	0	0	0	0	109.4	V572	V570-V572 PolarHBondContact O-N 3Å
571	P	53.9	Low	48.6	Very low	131 Å²	131	138.9 Å²	138.9	85%	0.851	78%	0.781	S	S	*	*			trans	-77.2	108.4	-175.4	29.8	-34.4	0	0	0	112.3
572	V	45.2	Very low	49.4	Very low	116 Å²	116	142.5 Å²	142.5	70%	0.703	79%	0.788	S	S	*	*			trans	-88.9	120	176.1	-179.9	0	0	0	0	111.2	V570 L574	V570-V572 PolarHBondContact O-N 3Å; V572-L574 PolarHBondContact O-N 3.22Å; V572-L574 VanDerWaalsContact O-N 3.09Å
573	C	53	Low	51	Low	119 Å²	119	142.6 Å²	142.6	80%	0.804	78%	0.781	S	S	*	*			trans	-69.4	101.2	174.9	-177.1	0	0	0	0	111.4	Q575	C573-Q575 PolarHBondContact O-N 3.49Å; C573-Q575 VanDerWaalsContact O-N 3.08Å
574	L	50.3	Low	53	Low	149 Å²	149	139.8 Å²	139.8	78%	0.78	77%	0.766	S	S	*	*			trans	-75.2	94.5	-177.7	-70	174	0	0	0	112.6	V572 R576	V572-L574 PolarHBondContact O-N 3.22Å; V572-L574 VanDerWaalsContact O-N 3.09Å; L574-R576 PolarHBondContact O-N 3.01Å
575	Q	56.9	Low	54.6	Low	186 Å²	186	140.9 Å²	140.9	87%	0.869	76%	0.757	S	S	*	*			trans	-61.8	106	161.4	-74.3	-169	-10.5	0	0	110.2	C573 R577	C573-Q575 PolarHBondContact O-N 3.49Å; C573-Q575 VanDerWaalsContact O-N 3.08Å; Q575-R577 PolarHBondContact O-N 3.26Å
576	R	56.4	Low	56.6	Low	232 Å²	232	143.5 Å²	143.5	88%	0.875	76%	0.758	S	S	*	*			trans	-69.6	97.7	177.5	-75.2	-174.5	172.5	-176.1	-1.4	111.5	L574 T578	L574-R576 PolarHBondContact O-N 3.01Å; R576-T578 PolarHBondContact O-N 2.74Å; R576-T578 VanDerWaalsContact O-N 3.1Å
577	R	59.4	Low	58.3	Low	235 Å²	235	141.8 Å²	141.8	89%	0.887	75%	0.75	S	S	*	*			trans	-69.8	95.1	161.1	-84.8	-174.2	168.3	-177.2	-3	110.2	Q575 M579	Q575-R577 PolarHBondContact O-N 3.26Å; R577-M579 PolarHBondContact O-N 3.44Å
578	T	66.6	Low	60.1	Low	132 Å²	132	140.5 Å²	140.5	81%	0.81	74%	0.737	S	S	*	*			trans	-73.8	105.9	169.9	-52.8	0	0	0	0	109.6	R576	R576-T578 PolarHBondContact O-N 2.74Å; R576-T578 VanDerWaalsContact O-N 3.1Å
579	M	59	Low	62	Low	148 Å²	148	137 Å²	137	73%	0.729	72%	0.72	S	S	*	*			trans	-94.6	131	172.4	-60.9	-150.3	-50.4	0	0	111.2	R577 L581	R577-M579 PolarHBondContact O-N 3.44Å; M579-L581 PolarHBondContact O-N 2.67Å
580	P	60.1	Low	63.7	Low	110 Å²	110	130.6 Å²	130.6	71%	0.714	69%	0.692	S	S	*	*			trans	-73.3	106.6	172.1	29.5	-32.5	0	0	0	110.3	H582	P580-H582 PolarHBondContact O-N 3.11Å
581	L	57.2	Low	65	Low	142 Å²	142	126.8 Å²	126.8	74%	0.743	67%	0.674	S	S	*	*			trans	-77.4	113.9	170.1	-77.7	167.9	0	0	0	109.8	M579 F583	M579-L581 PolarHBondContact O-N 2.67Å; L581-F583 WeakPolarHBondContact O-CD1 3.38Å; L581-F583 PolarHBondContact O-N 3.2Å
582	H	64.9	Low	66.2	Low	190 Å²	190	124.9 Å²	124.9	88%	0.88	66%	0.655	S	S	*	*			trans	-74.9	76.3	169.8	-74	-86	0	0	0	110.6	P580	P580-H582 PolarHBondContact O-N 3.11Å
583	F	63.9	Low	67.9	Low	150 Å²	150	126.4 Å²	126.4	66%	0.658	65%	0.653	S	S	*	*			trans	-94.1	136.1	174.4	77.6	-79.4	0	0	0	111.1	L581 L585	L581-F583 WeakPolarHBondContact O-CD1 3.38Å; L581-F583 PolarHBondContact O-N 3.2Å; F583-L585 HydrophobicContact CD2-CD2 4.34Å; F583-L585 HydrophobicContact CD2-CG 4.31Å; F583-L585 HydrophobicContact CE2-CD2 3.9Å; F583-L585 HydrophobicContact CE2-CG 3.86Å
584	C	75.6	Confident	69.2	Low	65 Å²	65	128.7 Å²	128.7	44%	0.439	64%	0.644	S	S	.	*			trans	-108.3	120	169	177.5	0	0	0	0	109.5	Q586 A587 L588	C584-Q586 PolarHBondContact O-N 2.87Å; C584-A587 HydrophobicContact CB-CB 3.95Å; C584-A587 WeakPolarHBondContact O-CB 3.47Å; C584-A587 PolarHBondContact O-N 3.46Å; C584-L588 PolarHBondContact O-N 2.86Å
585	L	75	Confident	70.6	Confident	122 Å²	122	125.6 Å²	125.6	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-58.2	-33.9	178.7	-75.9	168.7	0	0	0	112.5	F583 A589	F583-L585 HydrophobicContact CD2-CD2 4.34Å; F583-L585 HydrophobicContact CD2-CG 4.31Å; F583-L585 HydrophobicContact CE2-CD2 3.9Å; F583-L585 HydrophobicContact CE2-CG 3.86Å; L585-A589 VanDerWaalsContact O-CB 3.25Å; L585-A589 WeakPolarHBondContact O-CB 3.28Å; L585-A589 PolarHBondContact O-N 3.48Å
586	Q	77.3	Confident	71.6	Confident	159 Å²	159	121.6 Å²	121.6	74%	0.743	61%	0.609	S	S	*	*	H	α-helix	trans	-68	-39.3	175.8	-61.3	171.6	-17.7	0	0	111.6	C584 A589 A590	C584-Q586 PolarHBondContact O-N 2.87Å; Q586-A589 PolarHBondContact O-N 3.48Å; Q586-A590 VanDerWaalsContact O-CB 3.29Å; Q586-A590 WeakPolarHBondContact O-CB 3.34Å; Q586-A590 PolarHBondContact O-N 3.45Å
587	A	74.8	Confident	72.6	Confident	61 Å²	61	116.2 Å²	116.2	50%	0.504	59%	0.594	S	S	.	*	H	α-helix	trans	-67.1	-42.9	175.8	0	0	0	0	0	111.7	C584 A590 G591	C584-A587 HydrophobicContact CB-CB 3.95Å; C584-A587 WeakPolarHBondContact O-CB 3.47Å; C584-A587 PolarHBondContact O-N 3.46Å; A587-A590 PolarHBondContact O-N 3.03Å; A587-G591 PolarHBondContact O-N 2.89Å
588	L	78.6	Confident	73.4	Confident	101 Å²	101	110.5 Å²	110.5	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-61.9	-45.4	173.6	179.6	64.7	0	0	0	111.4	C584 A590 G591 M592	C584-L588 PolarHBondContact O-N 2.86Å; L588-A590 PolarHBondContact O-N 2.95Å; L588-G591 WeakPolarHBondContact O-CA 3.31Å; L588-G591 PolarHBondContact O-N 2.81Å; L588-G591 VanDerWaalsContact O-N 3.15Å; L588-M592 HydrophobicContact CD1-CG 4.43Å; L588-M592 HydrophobicContact CG-SD 4.25Å; L588-M592 WeakPolarHBondContact O-CG 3.48Å; L588-M592 PolarHBondContact O-N 3.28Å
589	A	78.6	Confident	73.7	Confident	46 Å²	46	108.2 Å²	108.2	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-62.9	-39.1	176.5	0	0	0	0	0	112.4	L585 Q586 G591 M592 K593	L585-A589 VanDerWaalsContact O-CB 3.25Å; L585-A589 WeakPolarHBondContact O-CB 3.28Å; L585-A589 PolarHBondContact O-N 3.48Å; Q586-A589 PolarHBondContact O-N 3.48Å; A589-G591 VanDerWaalsContact C-N 3.33Å; A589-M592 PolarHBondContact O-N 3.01Å; A589-K593 WeakPolarHBondContact O-CB 3.29Å; A589-K593 WeakPolarHBondContact O-CG 3.41Å; A589-K593 PolarHBondContact O-N 3.41Å
590	A	78.6	Confident	74.1	Confident	37 Å²	37	110.7 Å²	110.7	31%	0.306	56%	0.559	S	S	.	*	H	α-helix	trans	-69.6	-28.9	173.9	0	0	0	0	0	113	Q586 A587 L588 R594	Q586-A590 VanDerWaalsContact O-CB 3.29Å; Q586-A590 WeakPolarHBondContact O-CB 3.34Å; Q586-A590 PolarHBondContact O-N 3.45Å; A587-A590 PolarHBondContact O-N 3.03Å; L588-A590 PolarHBondContact O-N 2.95Å; A590-R594 WeakPolarHBondContact O-CB 3.38Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 3.09Å; A590-R594 PolarHBondContact O-NE 2.67Å; A590-R594 VanDerWaalsContact O-NE 3.11Å
591	G	79.2	Confident	74.3	Confident	31 Å²	31	113.6 Å²	113.6	32%	0.32	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-52.6	168.9	0	0	0	0	0	111.5	A587 L588 A589 K593 R594 L595	A587-G591 PolarHBondContact O-N 2.89Å; L588-G591 WeakPolarHBondContact O-CA 3.31Å; L588-G591 PolarHBondContact O-N 2.81Å; L588-G591 VanDerWaalsContact O-N 3.15Å; A589-G591 VanDerWaalsContact C-N 3.33Å; G591-K593 PolarHBondContact O-N 3.35Å; G591-R594 PolarHBondContact O-N 3.06Å; G591-R594 VanDerWaalsContact O-N 3.17Å; G591-L595 WeakPolarHBondContact O-CB 3.34Å; G591-L595 PolarHBondContact O-N 3.35Å
592	M	79.9	Confident	74.4	Confident	91 Å²	91	115.5 Å²	115.5	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-59.9	-42.3	178.4	-71.2	-179.9	67.3	0	0	112.6	L588 A589 L595 Q596	L588-M592 HydrophobicContact CD1-CG 4.43Å; L588-M592 HydrophobicContact CG-SD 4.25Å; L588-M592 WeakPolarHBondContact O-CG 3.48Å; L588-M592 PolarHBondContact O-N 3.28Å; A589-M592 PolarHBondContact O-N 3.01Å; M592-L595 PolarHBondContact O-N 3.48Å; M592-Q596 WeakPolarHBondContact O-CB 3.4Å; M592-Q596 WeakPolarHBondContact O-CG 3.32Å; M592-Q596 PolarHBondContact O-N 3Å
593	K	80.4	Confident	74	Confident	149 Å²	149	108.8 Å²	108.8	65%	0.648	53%	0.53	S	S	*	.	H	α-helix	trans	-61.2	-44.5	174.1	-78.4	-178.8	177	-176.5	0	112	A589 G591 Q596 Q597	A589-K593 WeakPolarHBondContact O-CB 3.29Å; A589-K593 WeakPolarHBondContact O-CG 3.41Å; A589-K593 PolarHBondContact O-N 3.41Å; G591-K593 PolarHBondContact O-N 3.35Å; K593-Q596 PolarHBondContact O-N 2.98Å; K593-Q597 VanDerWaalsContact O-CB 3.3Å; K593-Q597 WeakPolarHBondContact O-CB 3.35Å; K593-Q597 PolarHBondContact O-N 2.7Å
594	R	81.3	Confident	73.6	Confident	167 Å²	167	104.1 Å²	104.1	63%	0.63	52%	0.519	S	S	*	.	H	α-helix	trans	-62.1	-43.2	175	-83.1	-178	-80.8	-169.3	-3.1	111.9	A590 G591 Q597 Q598	A590-R594 WeakPolarHBondContact O-CB 3.38Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 3.09Å; A590-R594 PolarHBondContact O-NE 2.67Å; A590-R594 VanDerWaalsContact O-NE 3.11Å; G591-R594 PolarHBondContact O-N 3.06Å; G591-R594 VanDerWaalsContact O-N 3.17Å; R594-Q597 PolarHBondContact O-N 3.22Å; R594-Q598 VanDerWaalsContact O-CB 3.31Å; R594-Q598 WeakPolarHBondContact O-CB 3.17Å; R594-Q598 PolarHBondContact O-N 3.28Å
595	L	78.6	Confident	72.5	Confident	84 Å²	84	106.4 Å²	106.4	44%	0.44	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-42.6	179.9	-148.3	160.1	0	0	0	111.4	G591 M592 Q598 Q599	G591-L595 WeakPolarHBondContact O-CB 3.34Å; G591-L595 PolarHBondContact O-N 3.35Å; M592-L595 PolarHBondContact O-N 3.48Å; L595-Q598 PolarHBondContact O-N 3.45Å; L595-Q599 HydrophobicContact CD2-CG 4.19Å; L595-Q599 WeakPolarHBondContact O-CB 3.38Å; L595-Q599 WeakPolarHBondContact O-CG 3.21Å; L595-Q599 PolarHBondContact O-N 2.74Å
596	Q	78	Confident	71.4	Confident	102 Å²	102	110.1 Å²	110.1	48%	0.477	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-39.2	171.1	-75	-179.2	-49.5	0	0	112.8	M592 K593 Q598 R600	M592-Q596 WeakPolarHBondContact O-CB 3.4Å; M592-Q596 WeakPolarHBondContact O-CG 3.32Å; M592-Q596 PolarHBondContact O-N 3Å; K593-Q596 PolarHBondContact O-N 2.98Å; Q596-Q598 VanDerWaalsContact C-N 3.34Å; Q596-R600 WeakPolarHBondContact O-CB 3.28Å; Q596-R600 WeakPolarHBondContact O-CG 3.32Å; Q596-R600 PolarHBondContact O-N 3.35Å
597	Q	77.1	Confident	70.2	Confident	118 Å²	118	106.8 Å²	106.8	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-69.6	-32.5	177.1	-167.6	174.3	18.1	0	0	111.9	K593 R594 R601	K593-Q597 VanDerWaalsContact O-CB 3.3Å; K593-Q597 WeakPolarHBondContact O-CB 3.35Å; K593-Q597 PolarHBondContact O-N 2.7Å; R594-Q597 PolarHBondContact O-N 3.22Å; Q597-R601 PolarHBondContact O-N 3.17Å
598	Q	76.1	Confident	68.8	Low	116 Å²	116	108.7 Å²	108.7	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-75	-37.3	175.5	-163.4	173.2	22.3	0	0	112	R594 L595 Q596 R601 R602	R594-Q598 VanDerWaalsContact O-CB 3.31Å; R594-Q598 WeakPolarHBondContact O-CB 3.17Å; R594-Q598 PolarHBondContact O-N 3.28Å; L595-Q598 PolarHBondContact O-N 3.45Å; Q596-Q598 VanDerWaalsContact C-N 3.34Å; Q598-R601 PolarHBondContact O-N 3.46Å; Q598-R602 PolarHBondContact O-N 2.94Å
599	Q	74.3	Confident	67.5	Low	83 Å²	83	111 Å²	111	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-45.9	167.6	-76.9	176.6	-32.5	0	0	111.2	L595 R601 R602 A603	L595-Q599 HydrophobicContact CD2-CG 4.19Å; L595-Q599 WeakPolarHBondContact O-CB 3.38Å; L595-Q599 WeakPolarHBondContact O-CG 3.21Å; L595-Q599 PolarHBondContact O-N 2.74Å; Q599-R601 PolarHBondContact O-N 2.82Å; Q599-R602 PolarHBondContact O-N 2.86Å; Q599-A603 WeakPolarHBondContact O-CB 3.25Å; Q599-A603 PolarHBondContact O-N 3.36Å
600	R	66.9	Low	66.5	Low	200 Å²	200	114.6 Å²	114.6	76%	0.755	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-38.8	174.9	-79.4	179.3	171.4	-178.3	-4.1	113.1	Q596 A603 A604	Q596-R600 WeakPolarHBondContact O-CB 3.28Å; Q596-R600 WeakPolarHBondContact O-CG 3.32Å; Q596-R600 PolarHBondContact O-N 3.35Å; R600-A603 PolarHBondContact O-N 2.76Å; R600-A604 WeakPolarHBondContact O-CB 3.48Å; R600-A604 PolarHBondContact O-N 3.17Å
601	R	64	Low	65.9	Low	171 Å²	171	118 Å²	118	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-62.4	-52	171.8	-83.5	-176.1	169	178.6	-4.3	111.5	Q597 Q598 Q599 A603 A604 D605	Q597-R601 PolarHBondContact O-N 3.17Å; Q598-R601 PolarHBondContact O-N 3.46Å; Q599-R601 PolarHBondContact O-N 2.82Å; R601-A603 PolarHBondContact O-N 2.98Å; R601-A604 CarbonylContact O-C 3.53Å; R601-A604 PolarHBondContact O-N 3.37Å; R601-D605 WeakPolarHBondContact O-CB 3.36Å; R601-D605 PolarHBondContact O-N 2.72Å; R601-D605 VanDerWaalsContact O-OD2 3.09Å
602	R	59.5	Low	65.6	Low	183 Å²	183	116.9 Å²	116.9	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-57.7	-33	176.4	-75.5	179.8	171.2	177.7	-2.7	113.7	Q598 Q599 R606	Q598-R602 PolarHBondContact O-N 2.94Å; Q599-R602 PolarHBondContact O-N 2.86Å; R602-R606 PolarHBondContact O-N 3.1Å
603	A	57	Low	65.1	Low	48 Å²	48	119.7 Å²	119.7	40%	0.397	53%	0.531	S	S	.	.	H	α-helix	trans	-70.8	-45.5	172.7	0	0	0	0	0	112	Q599 R600 R601 D605 R606 L607	Q599-A603 WeakPolarHBondContact O-CB 3.25Å; Q599-A603 PolarHBondContact O-N 3.36Å; R600-A603 PolarHBondContact O-N 2.76Å; R601-A603 PolarHBondContact O-N 2.98Å; A603-D605 PolarHBondContact O-N 3.32Å; A603-R606 WeakPolarHBondContact O-CB 3.46Å; A603-R606 PolarHBondContact O-N 3.04Å; A603-L607 WeakPolarHBondContact O-CG 3.31Å; A603-L607 PolarHBondContact O-N 2.92Å
604	A	54.2	Low	64.3	Low	52 Å²	52	113.9 Å²	113.9	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.4	0	0	0	0	0	112.5	R600 R601 R606 L607 C608	R600-A604 WeakPolarHBondContact O-CB 3.48Å; R600-A604 PolarHBondContact O-N 3.17Å; R601-A604 CarbonylContact O-C 3.53Å; R601-A604 PolarHBondContact O-N 3.37Å; A604-R606 VanDerWaalsContact C-N 3.28Å; A604-R606 PolarHBondContact O-N 2.98Å; A604-L607 PolarHBondContact O-N 3.05Å; A604-C608 WeakPolarHBondContact O-CB 3.45Å; A604-C608 PolarHBondContact O-N 3.29Å
605	D	52.5	Low	63.5	Low	113 Å²	113	111.4 Å²	111.4	60%	0.604	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-34.2	176	-61.5	-33.1	0	0	0	111.3	R601 A603	R601-D605 WeakPolarHBondContact O-CB 3.36Å; R601-D605 PolarHBondContact O-N 2.72Å; R601-D605 VanDerWaalsContact O-OD2 3.09Å; A603-D605 PolarHBondContact O-N 3.32Å
606	R	52.6	Low	63.2	Low	201 Å²	201	112.8 Å²	112.8	76%	0.758	52%	0.517	S	S	*	.	H	α-helix	trans	-68.2	-52.8	170	-101.3	-172.1	171.5	-162.6	-3.3	112	R602 A603 A604 C608 Y609	R602-R606 PolarHBondContact O-N 3.1Å; A603-R606 WeakPolarHBondContact O-CB 3.46Å; A603-R606 PolarHBondContact O-N 3.04Å; A604-R606 VanDerWaalsContact C-N 3.28Å; A604-R606 PolarHBondContact O-N 2.98Å; R606-C608 PolarHBondContact O-N 2.96Å; R606-Y609 PolarHBondContact O-N 2.83Å
607	L	52.1	Low	62.6	Low	88 Å²	88	109.5 Å²	109.5	46%	0.461	51%	0.506	S	S	.	.	H	α-helix	trans	-59.2	-27.1	-179.1	-72.9	163.2	0	0	0	113.1	A603 A604 E821	A603-L607 WeakPolarHBondContact O-CG 3.31Å; A603-L607 PolarHBondContact O-N 2.92Å; A604-L607 PolarHBondContact O-N 3.05Å; L607-E821 HydrophobicContact CD2-CB 3.77Å; L607-E821 WeakPolarHBondContact CD2-OE2 3.45Å
608	C	45.4	Very low	61.9	Low	102 Å²	102	109.9 Å²	109.9	69%	0.689	52%	0.518	S	S	*	.	H	α-helix	trans	-77.2	-21.7	178.5	-158.2	0	0	0	0	113.4	A604 R606 R610	A604-C608 WeakPolarHBondContact O-CB 3.45Å; A604-C608 PolarHBondContact O-N 3.29Å; R606-C608 PolarHBondContact O-N 2.96Å; C608-R610 VanDerWaalsContact C-N 3.32Å; C608-R610 PolarHBondContact O-N 3.32Å
609	Y	50.4	Low	61.3	Low	149 Å²	149	108 Å²	108	58%	0.584	53%	0.53	S	S	*	.			trans	-85.9	71.8	177.2	-160.7	-92.8	0	0	0	111.9	R606 R611	R606-Y609 PolarHBondContact O-N 2.83Å; Y609-R611 HydrophobicContact CD1-CG 3.97Å; Y609-R611 HydrophobicContact CE1-CG 4.03Å; Y609-R611 PolarHBondContact O-N 2.82Å
610	R	58.7	Low	61.2	Low	122 Å²	122	108 Å²	108	46%	0.46	53%	0.53	S	S	.	.			trans	-65.4	102.2	171.5	-175.9	174.8	175	174.7	0	110.1	C608 F612 R613	C608-R610 VanDerWaalsContact C-N 3.32Å; C608-R610 PolarHBondContact O-N 3.32Å; R610-F612 VanDerWaalsContact CG-O 3.26Å; R610-F612 WeakPolarHBondContact CG-O 3.32Å; R610-F612 PolarHBondContact NE-O 3.23Å; R610-R613 HydrophobicContact CG-CG 4.05Å; R610-R613 PolarHBondContact O-NE 3.4Å; R610-R613 PolarHBondContact O-NH2 3.32Å
611	R	65.3	Low	61.6	Low	109 Å²	109	101 Å²	101	41%	0.411	51%	0.507	S	S	.	.	S	Bend	trans	-62.8	-46.1	177.6	-72.4	-176.3	160.6	154.4	-6.9	113.3	Y609 E631	Y609-R611 HydrophobicContact CD1-CG 3.97Å; Y609-R611 HydrophobicContact CE1-CG 4.03Å; Y609-R611 PolarHBondContact O-N 2.82Å; R611-E631 HydrophobicContact CB-CG 4.38Å; R611-E631 WeakPolarHBondContact CD-OE2 3.26Å; R611-E631 VanDerWaalsContact CG-OE2 3.3Å; R611-E631 WeakPolarHBondContact CG-OE2 3.34Å; R611-E631 IonicContact NE-OE2 2.76Å
612	F	73.8	Confident	62.3	Low	7 Å²	7	98.4 Å²	98.4	3%	0.031	50%	0.503	C	S	.	.			trans	-109.9	118.4	-177.4	-59	-73.9	0	0	0	111.1	R610 E627 L628 E631 I632 F660 H816	R610-F612 VanDerWaalsContact CG-O 3.26Å; R610-F612 WeakPolarHBondContact CG-O 3.32Å; R610-F612 PolarHBondContact NE-O 3.23Å; F612-E627 WeakPolarHBondContact CA-OE2 3.21Å; F612-E627 HydrophobicContact CD1-CG 4.05Å; F612-L628 HydrophobicContact CE1-CD2 4.04Å; F612-E631 HydrophobicContact CE1-CB 3.68Å; F612-E631 HydrophobicContact CE1-CG 4.2Å; F612-E631 HydrophobicContact CE2-CB 4.45Å; F612-E631 HydrophobicContact CZ-CB 3.51Å; F612-E631 HydrophobicContact CZ-CG 4.29Å; F612-I632 HydrophobicContact CE1-CG1 4.42Å; F612-I632 HydrophobicContact CZ-CD1 3.77Å; F612-I632 HydrophobicContact CZ-CG1 4.03Å; F612-F660 HydrophobicContact CD2-CZ 4.23Å; F612-F660 HydrophobicContact CE1-CE1 4.34Å; F612-F660 HydrophobicContact CE2-CE1 4.22Å; F612-F660 AromaticContact CE2-CZ 3.67Å; F612-F660 HydrophobicContact CE2-CZ 3.67Å; F612-F660 HydrophobicContact CZ-CE1 4.09Å; F612-F660 AromaticContact CZ-CZ 3.85Å; F612-F660 HydrophobicContact CZ-CZ 3.85Å; F612-H816 HydrophobicContact CB-CB 4.08Å; F612-H816 HydrophobicContact CD1-CB 4.43Å; F612-H816 AromaticContact CD2-CD2 3.43Å; F612-H816 VanDerWaalsContact CD2-CD2 3.43Å; F612-H816 WeakPolarHBondContact CD2-CD2 3.35Å; F612-H816 AromaticContact CD2-NE2 3.64Å; F612-H816 HydrophobicContact CG-CB 4.18Å; F612-H816 AromaticContact CG-CD2 3.57Å; F612-H816 AromaticContact CG-CG 3.81Å; F612-H816 AromaticContact CG-NE2 3.96Å
613	R	68.9	Low	63.2	Low	149 Å²	149	97 Å²	97	56%	0.562	50%	0.498	S	S	*	.			trans	-125.6	-18	-171.1	-54.8	-179.9	178.2	-149.5	-3.1	112.7	R610 N615 E627	R610-R613 HydrophobicContact CG-CG 4.05Å; R610-R613 PolarHBondContact O-NE 3.4Å; R610-R613 PolarHBondContact O-NH2 3.32Å; R613-N615 PolarHBondContact O-N 3.46Å; R613-E627 VanDerWaalsContact CB-OE1 3.3Å; R613-E627 WeakPolarHBondContact CB-OE1 3.33Å; R613-E627 PolarHBondContact N-OE1 3.38Å; R613-E627 PolarHBondContact N-OE2 2.79Å
614	A	63.9	Low	64.2	Low	28 Å²	28	95.1 Å²	95.1	23%	0.231	48%	0.482	C	S	.	.			trans	-64.5	120.8	178.5	0	0	0	0	0	111.4	A624 E627	A614-A624 HydrophobicContact CB-CB 3.81Å; A614-E627 WeakPolarHBondContact CB-OE2 3.22Å; A614-E627 PolarHBondContact N-OE2 2.83Å
615	N	65.3	Low	65.3	Low	115 Å²	115	94 Å²	94	62%	0.615	47%	0.468	S	S	*	.			trans	-73	143.2	175.3	-71.9	-32.2	0	0	0	110.8	R613 S617	R613-N615 PolarHBondContact O-N 3.46Å; N615-S617 VanDerWaalsContact C-N 3.32Å; N615-S617 PolarHBondContact O-N 2.92Å; N615-S617 PolarHBondContact O-OG 3.41Å
616	I	70.4	Confident	66.7	Low	112 Å²	112	91.7 Å²	91.7	57%	0.574	46%	0.455	S	S	*	.	S	Bend	trans	-64.9	90.9	173.8	-53.6	177	0	0	0	109.3	L817	I616-L817 HydrophobicContact CD1-CD2 3.85Å
617	S	66.8	Low	68.2	Low	34 Å²	34	83.8 Å²	83.8	24%	0.238	43%	0.427	C	S	.	.			trans	-142.7	125.1	-174.1	57.3	0	0	0	0	109.8	N615 G619 E620	N615-S617 VanDerWaalsContact C-N 3.32Å; N615-S617 PolarHBondContact O-N 2.92Å; N615-S617 PolarHBondContact O-OG 3.41Å; S617-G619 PolarHBondContact O-N 2.99Å; S617-E620 PolarHBondContact O-N 3.04Å
618	P	61.4	Low	69.7	Low	126 Å²	126	79.8 Å²	79.8	82%	0.818	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.3	-174.2	-27.1	35.7	0	0	0	115.8
619	G	63.5	Low	71.5	Confident	77 Å²	77	83 Å²	83	79%	0.794	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.4	179.3	0	0	0	0	0	115.3	S617	S617-G619 PolarHBondContact O-N 2.99Å
620	E	72.6	Confident	73	Confident	81 Å²	81	84.9 Å²	84.9	38%	0.379	41%	0.41	S	S	.	.			trans	-118.5	25.8	-175.4	-57.1	-159.1	172.7	0	0	113.5	S617 Q622 R623	S617-E620 PolarHBondContact O-N 3.04Å; E620-Q622 VanDerWaalsContact C-N 3.25Å; E620-Q622 PolarHBondContact O-N 3.09Å; E620-Q622 VanDerWaalsContact O-N 3.15Å; E620-R623 PolarHBondContact O-N 3.05Å; E620-R623 IonicContact OE1-CZ 3.24Å; E620-R623 IonicContact OE1-NH1 2.73Å; E620-R623 PolarHBondContact OE1-NH1 2.88Å; E620-R623 VanDerWaalsContact OE2-CD 3.27Å; E620-R623 WeakPolarHBondContact OE2-CD 3.13Å; E620-R623 IonicContact OE2-CZ 2.91Å; E620-R623 IonicContact OE2-NE 3.84Å; E620-R623 IonicContact OE2-NH1 3.67Å; E620-R623 PolarHBondContact OE2-NH1 2.89Å
621	N	75.9	Confident	74.2	Confident	53 Å²	53	81.4 Å²	81.4	28%	0.283	40%	0.399	S	S	.	.	H	α-helix	trans	-46.8	-46.5	-179.4	-66.2	-15	0	0	0	113.2	R623 A624 E625 R815	N621-R623 VanDerWaalsContact C-N 3.25Å; N621-R623 PolarHBondContact O-N 3.24Å; N621-A624 WeakPolarHBondContact O-CB 3.48Å; N621-A624 PolarHBondContact O-N 3.32Å; N621-E625 WeakPolarHBondContact O-CG 3.35Å; N621-E625 PolarHBondContact O-N 2.87Å; N621-R815 PolarHBondContact OD1-NH2 2.81Å
622	Q	77.6	Confident	75.2	Confident	118 Å²	118	76.7 Å²	76.7	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-59.2	-32.9	-178.2	-154.9	64.9	70.9	0	0	113.6	E620 E625 D626	E620-Q622 VanDerWaalsContact C-N 3.25Å; E620-Q622 PolarHBondContact O-N 3.09Å; E620-Q622 VanDerWaalsContact O-N 3.15Å; Q622-E625 PolarHBondContact NE2-OE2 3.22Å; Q622-E625 PolarHBondContact O-N 2.93Å; Q622-D626 WeakPolarHBondContact O-CB 3.49Å; Q622-D626 PolarHBondContact O-N 3.48Å
623	R	80.1	Confident	75.8	Confident	154 Å²	154	79 Å²	79	58%	0.581	40%	0.399	S	S	*	.	H	α-helix	trans	-70.7	-38.4	177.1	-73.6	177.6	171	168.4	0.4	111.9	E620 N621 E627	E620-R623 PolarHBondContact O-N 3.05Å; E620-R623 IonicContact OE1-CZ 3.24Å; E620-R623 IonicContact OE1-NH1 2.73Å; E620-R623 PolarHBondContact OE1-NH1 2.88Å; E620-R623 VanDerWaalsContact OE2-CD 3.27Å; E620-R623 WeakPolarHBondContact OE2-CD 3.13Å; E620-R623 IonicContact OE2-CZ 2.91Å; E620-R623 IonicContact OE2-NE 3.84Å; E620-R623 IonicContact OE2-NH1 3.67Å; E620-R623 PolarHBondContact OE2-NH1 2.89Å; N621-R623 VanDerWaalsContact C-N 3.25Å; N621-R623 PolarHBondContact O-N 3.24Å; R623-E627 VanDerWaalsContact O-CB 3.32Å; R623-E627 WeakPolarHBondContact O-CB 3.45Å; R623-E627 PolarHBondContact O-N 3.25Å; R623-E627 VanDerWaalsContact O-N 3.08Å
624	A	76.8	Confident	76.6	Confident	8 Å²	8	75.6 Å²	75.6	7%	0.066	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-39	175.3	0	0	0	0	0	111.3	A614 N621 E627 L628	A614-A624 HydrophobicContact CB-CB 3.81Å; N621-A624 WeakPolarHBondContact O-CB 3.48Å; N621-A624 PolarHBondContact O-N 3.32Å; A624-E627 PolarHBondContact O-N 3.42Å; A624-L628 WeakPolarHBondContact O-CB 3.37Å; A624-L628 VanDerWaalsContact O-CG 3.25Å; A624-L628 WeakPolarHBondContact O-CG 3.38Å; A624-L628 PolarHBondContact O-N 2.78Å
625	E	78.3	Confident	77.7	Confident	27 Å²	27	78.8 Å²	78.8	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-64.3	-46.2	174.3	-67.7	164.7	-147.4	0	0	112.1	N621 Q622 E627 L628 R629 W805 N806	N621-E625 WeakPolarHBondContact O-CG 3.35Å; N621-E625 PolarHBondContact O-N 2.87Å; Q622-E625 PolarHBondContact NE2-OE2 3.22Å; Q622-E625 PolarHBondContact O-N 2.93Å; E625-E627 VanDerWaalsContact C-N 3.25Å; E625-E627 PolarHBondContact O-N 2.91Å; E625-L628 PolarHBondContact O-N 2.85Å; E625-R629 WeakPolarHBondContact O-CB 3.46Å; E625-R629 PolarHBondContact O-N 3.18Å; E625-W805 HydrophobicContact CG-CB 4.41Å; E625-N806 PolarHBondContact OE1-ND2 2.98Å; E625-N806 PolarHBondContact OE2-ND2 3.32Å
626	D	81.2	Confident	79	Confident	65 Å²	65	75 Å²	75	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-29.9	176.9	-84.5	-10.1	0	0	0	113	Q622 R630	Q622-D626 WeakPolarHBondContact O-CB 3.49Å; Q622-D626 PolarHBondContact O-N 3.48Å; D626-R630 WeakPolarHBondContact O-CD 3.32Å; D626-R630 WeakPolarHBondContact O-CG 3.34Å; D626-R630 PolarHBondContact O-NE 2.91Å; D626-R630 IonicContact OD2-NH2 3.96Å
627	E	83.4	Confident	80	Confident	35 Å²	35	69.9 Å²	69.9	16%	0.164	35%	0.354	C	S	.	.	H	α-helix	trans	-80.1	-47.4	178	-166	169.7	-119.6	0	0	111	F612 R613 A614 R623 A624 E625 R629 R630 E631	F612-E627 WeakPolarHBondContact CA-OE2 3.21Å; F612-E627 HydrophobicContact CD1-CG 4.05Å; R613-E627 VanDerWaalsContact CB-OE1 3.3Å; R613-E627 WeakPolarHBondContact CB-OE1 3.33Å; R613-E627 PolarHBondContact N-OE1 3.38Å; R613-E627 PolarHBondContact N-OE2 2.79Å; A614-E627 WeakPolarHBondContact CB-OE2 3.22Å; A614-E627 PolarHBondContact N-OE2 2.83Å; R623-E627 VanDerWaalsContact O-CB 3.32Å; R623-E627 WeakPolarHBondContact O-CB 3.45Å; R623-E627 PolarHBondContact O-N 3.25Å; R623-E627 VanDerWaalsContact O-N 3.08Å; A624-E627 PolarHBondContact O-N 3.42Å; E625-E627 VanDerWaalsContact C-N 3.25Å; E625-E627 PolarHBondContact O-N 2.91Å; E627-R629 VanDerWaalsContact C-N 3.32Å; E627-R629 PolarHBondContact O-N 3.41Å; E627-R630 PolarHBondContact O-N 3.16Å; E627-R630 VanDerWaalsContact O-N 3.1Å; E627-E631 PolarHBondContact O-N 3.1Å
628	L	84.2	Confident	81.1	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-56.2	-44.5	172.4	-73.7	168.9	0	0	0	111.8	F612 A624 E625 R630 E631 I632 F660 W805 M814	F612-L628 HydrophobicContact CE1-CD2 4.04Å; A624-L628 WeakPolarHBondContact O-CB 3.37Å; A624-L628 VanDerWaalsContact O-CG 3.25Å; A624-L628 WeakPolarHBondContact O-CG 3.38Å; A624-L628 PolarHBondContact O-N 2.78Å; E625-L628 PolarHBondContact O-N 2.85Å; L628-R630 PolarHBondContact O-N 2.96Å; L628-E631 PolarHBondContact O-N 3.49Å; L628-I632 HydrophobicContact CD2-CG1 4.12Å; L628-I632 WeakPolarHBondContact O-CB 3.42Å; L628-I632 PolarHBondContact O-N 2.91Å; L628-F660 HydrophobicContact CD2-CD1 4.23Å; L628-F660 HydrophobicContact CD2-CE1 3.83Å; L628-W805 HydrophobicContact CB-CD2 4.24Å; L628-W805 HydrophobicContact CB-CE3 3.8Å; L628-W805 HydrophobicContact CB-CH2 4.32Å; L628-W805 HydrophobicContact CB-CZ3 3.85Å; L628-W805 HydrophobicContact CD1-CE3 4.17Å; L628-M814 HydrophobicContact CD1-CG 4.32Å; L628-M814 HydrophobicContact CD2-CG 4.32Å; L628-M814 HydrophobicContact CD2-SD 4.01Å
629	R	82.9	Confident	82.5	Confident	170 Å²	170	73.9 Å²	73.9	64%	0.642	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-19.7	178.8	-172.5	176.5	-176.6	-173	4.1	114.1	E625 E627 W805	E625-R629 WeakPolarHBondContact O-CB 3.46Å; E625-R629 PolarHBondContact O-N 3.18Å; E627-R629 VanDerWaalsContact C-N 3.32Å; E627-R629 PolarHBondContact O-N 3.41Å; R629-W805 HydrophobicContact CB-CZ2 4.48Å
630	R	82.9	Confident	84	Confident	187 Å²	187	70.6 Å²	70.6	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-92.5	-41.1	177	-69.4	167.2	-150.7	-143.7	1.6	112.4	D626 E627 L628	D626-R630 WeakPolarHBondContact O-CD 3.32Å; D626-R630 WeakPolarHBondContact O-CG 3.34Å; D626-R630 PolarHBondContact O-NE 2.91Å; D626-R630 IonicContact OD2-NH2 3.96Å; E627-R630 PolarHBondContact O-N 3.16Å; E627-R630 VanDerWaalsContact O-N 3.1Å; L628-R630 PolarHBondContact O-N 2.96Å
631	E	83	Confident	85.1	Confident	49 Å²	49	71.7 Å²	71.7	23%	0.229	33%	0.326	C	S	.	.	H	α-helix	trans	-97	-17.3	-169.2	-63	-66	131.2	0	0	114.2	R611 F612 E627 L628 M636	R611-E631 HydrophobicContact CB-CG 4.38Å; R611-E631 WeakPolarHBondContact CD-OE2 3.26Å; R611-E631 VanDerWaalsContact CG-OE2 3.3Å; R611-E631 WeakPolarHBondContact CG-OE2 3.34Å; R611-E631 IonicContact NE-OE2 2.76Å; F612-E631 HydrophobicContact CE1-CB 3.68Å; F612-E631 HydrophobicContact CE1-CG 4.2Å; F612-E631 HydrophobicContact CE2-CB 4.45Å; F612-E631 HydrophobicContact CZ-CB 3.51Å; F612-E631 HydrophobicContact CZ-CG 4.29Å; E627-E631 PolarHBondContact O-N 3.1Å; L628-E631 PolarHBondContact O-N 3.49Å; E631-M636 VanDerWaalsContact O-CE 3.24Å; E631-M636 WeakPolarHBondContact O-CE 3.13Å
632	I	85.8	Confident	86.1	Confident	11 Å²	11	70.6 Å²	70.6	6%	0.056	32%	0.319	C	S	.	.			trans	-113.5	122	-180	-55.7	-62.2	0	0	0	110.8	F612 L628 M636 F637 M640 L655 F660 W805	F612-I632 HydrophobicContact CE1-CG1 4.42Å; F612-I632 HydrophobicContact CZ-CD1 3.77Å; F612-I632 HydrophobicContact CZ-CG1 4.03Å; L628-I632 HydrophobicContact CD2-CG1 4.12Å; L628-I632 WeakPolarHBondContact O-CB 3.42Å; L628-I632 PolarHBondContact O-N 2.91Å; I632-M636 HydrophobicContact CD1-CE 3.93Å; I632-M636 HydrophobicContact CG2-CB 4.44Å; I632-F637 HydrophobicContact CG2-CD2 4.36Å; I632-F637 HydrophobicContact CG2-CE1 4.34Å; I632-F637 HydrophobicContact CG2-CE2 3.86Å; I632-F637 HydrophobicContact CG2-CZ 3.86Å; I632-M640 HydrophobicContact CG2-CE 4.45Å; I632-L655 HydrophobicContact CD1-CD2 3.9Å; I632-F660 HydrophobicContact CD1-CE1 4.33Å; I632-F660 HydrophobicContact CD1-CZ 3.94Å; I632-W805 HydrophobicContact CB-CH2 3.82Å; I632-W805 HydrophobicContact CB-CZ3 4.42Å; I632-W805 HydrophobicContact CG2-CH2 3.89Å; I632-W805 HydrophobicContact CG2-CZ3 4.42Å
633	S	86.3	Confident	87	Confident	56 Å²	56	69.6 Å²	69.6	39%	0.392	32%	0.317	S	S	.	.			trans	-95.9	165.7	173.2	80.3	0	0	0	0	112.5	D635 M636 F637	S633-D635 VanDerWaalsContact C-N 3.28Å; S633-D635 PolarHBondContact O-N 3.05Å; S633-M636 PolarHBondContact N-SD 3.08Å; S633-M636 VanDerWaalsContact N-SD 3.4Å; S633-M636 PolarHBondContact O-N 3.33Å; S633-M636 WeakPolarHBondContact OG-CG 3.35Å; S633-M636 PolarHBondContact OG-SD 2.96Å; S633-F637 WeakPolarHBondContact O-CD2 3.25Å
634	K	86.5	Confident	87.7	Confident	77 Å²	77	63.3 Å²	63.3	34%	0.335	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.4	178.2	-77.7	-170.9	172.7	-147.1	0	113.7	G799 E800 I801 E802	K634-G799 WeakPolarHBondContact CB-O 3.37Å; K634-G799 WeakPolarHBondContact CD-O 3.42Å; K634-G799 WeakPolarHBondContact CG-O 3.47Å; K634-G799 VanDerWaalsContact O-CA 3.29Å; K634-G799 WeakPolarHBondContact O-CA 3.39Å; K634-E800 PolarHBondContact NZ-O 3.06Å; K634-I801 WeakPolarHBondContact CE-O 3.44Å; K634-I801 PolarHBondContact NZ-O 3.44Å; K634-E802 IonicContact NZ-OE1 2.72Å; K634-E802 PolarHBondContact NZ-OE1 3.3Å
635	D	87.9	Confident	88.6	Confident	95 Å²	95	65.4 Å²	65.4	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.3	179.8	-68.3	-64.1	0	0	0	113.2	S633 F637 K638	S633-D635 VanDerWaalsContact C-N 3.28Å; S633-D635 PolarHBondContact O-N 3.05Å; D635-F637 PolarHBondContact O-N 3.24Å; D635-F637 VanDerWaalsContact O-N 3.16Å; D635-K638 VanDerWaalsContact O-CB 3.31Å; D635-K638 WeakPolarHBondContact O-CB 3.35Å; D635-K638 PolarHBondContact O-N 3.2Å; D635-K638 IonicContact OD1-NZ 2.66Å; D635-K638 PolarHBondContact OD1-NZ 2.79Å
636	M	90.8	Very high	89.4	Confident	35 Å²	35	70 Å²	70	17%	0.172	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23	179.6	-72.5	165.5	68.6	0	0	113.1	E631 I632 S633 K638 E639 M640 L655	E631-M636 VanDerWaalsContact O-CE 3.24Å; E631-M636 WeakPolarHBondContact O-CE 3.13Å; I632-M636 HydrophobicContact CD1-CE 3.93Å; I632-M636 HydrophobicContact CG2-CB 4.44Å; S633-M636 PolarHBondContact N-SD 3.08Å; S633-M636 VanDerWaalsContact N-SD 3.4Å; S633-M636 PolarHBondContact O-N 3.33Å; S633-M636 WeakPolarHBondContact OG-CG 3.35Å; S633-M636 PolarHBondContact OG-SD 2.96Å; M636-K638 VanDerWaalsContact C-N 3.27Å; M636-K638 PolarHBondContact O-N 2.52Å; M636-E639 PolarHBondContact O-N 3Å; M636-M640 WeakPolarHBondContact O-CG 3.5Å; M636-M640 PolarHBondContact O-N 3.42Å; M636-L655 HydrophobicContact CB-CD2 3.99Å; M636-L655 HydrophobicContact CE-CD2 3.62Å
637	F	91.3	Very high	89.9	Confident	4 Å²	4	73 Å²	73	2%	0.018	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30	170.6	-67	-80.5	0	0	0	113	I632 S633 D635 E639 M640 V795 M798 P804 W805 M814	I632-F637 HydrophobicContact CG2-CD2 4.36Å; I632-F637 HydrophobicContact CG2-CE1 4.34Å; I632-F637 HydrophobicContact CG2-CE2 3.86Å; I632-F637 HydrophobicContact CG2-CZ 3.86Å; S633-F637 WeakPolarHBondContact O-CD2 3.25Å; D635-F637 PolarHBondContact O-N 3.24Å; D635-F637 VanDerWaalsContact O-N 3.16Å; F637-E639 VanDerWaalsContact C-N 3.3Å; F637-M640 HydrophobicContact CD1-CE 4.06Å; F637-M640 HydrophobicContact CD1-SD 4.12Å; F637-M640 HydrophobicContact CE1-CE 4.42Å; F637-M640 PolarHBondContact O-N 3.28Å; F637-V795 HydrophobicContact CB-CG1 4.49Å; F637-V795 HydrophobicContact CD1-CG1 4.48Å; F637-M798 HydrophobicContact CD1-CB 3.46Å; F637-M798 VanDerWaalsContact CD1-CB 3.46Å; F637-M798 HydrophobicContact CD1-CG 4.29Å; F637-M798 HydrophobicContact CD1-SD 4.1Å; F637-M798 HydrophobicContact CD2-CB 4.29Å; F637-M798 HydrophobicContact CE1-CB 3.45Å; F637-M798 VanDerWaalsContact CE1-CB 3.45Å; F637-M798 HydrophobicContact CE1-CE 3.95Å; F637-M798 HydrophobicContact CE1-CG 4.21Å; F637-M798 HydrophobicContact CE1-SD 3.79Å; F637-M798 HydrophobicContact CE2-CB 4.3Å; F637-M798 HydrophobicContact CG-CB 3.89Å; F637-M798 HydrophobicContact CZ-CB 3.89Å; F637-P804 HydrophobicContact CE2-CG 4.2Å; F637-P804 HydrophobicContact CZ-CB 4.06Å; F637-P804 HydrophobicContact CZ-CG 4Å; F637-W805 HydrophobicContact CE1-CZ3 4.49Å; F637-W805 HydrophobicContact CE2-CH2 4.22Å; F637-W805 AromaticContact CZ-CH2 3.72Å; F637-W805 HydrophobicContact CZ-CH2 3.72Å; F637-W805 AromaticContact CZ-CZ3 3.74Å; F637-W805 HydrophobicContact CZ-CZ3 3.74Å; F637-M814 HydrophobicContact CD1-CE 4.16Å; F637-M814 HydrophobicContact CE1-CE 3.62Å; F637-M814 HydrophobicContact CE1-SD 4.23Å
638	K	90.3	Very high	90.2	Very high	112 Å²	112	75.3 Å²	75.3	49%	0.487	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-25.2	177.2	-56.7	166	-173.3	165.1	0	111.9	D635 M636	D635-K638 VanDerWaalsContact O-CB 3.31Å; D635-K638 WeakPolarHBondContact O-CB 3.35Å; D635-K638 PolarHBondContact O-N 3.2Å; D635-K638 IonicContact OD1-NZ 2.66Å; D635-K638 PolarHBondContact OD1-NZ 2.79Å; M636-K638 VanDerWaalsContact C-N 3.27Å; M636-K638 PolarHBondContact O-N 2.52Å
639	E	91.4	Very high	90.5	Very high	133 Å²	133	75.4 Å²	75.4	62%	0.621	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.7	177	-58.7	-175.6	161.1	0	0	113.2	M636 F637 E641 L655	M636-E639 PolarHBondContact O-N 3Å; F637-E639 VanDerWaalsContact C-N 3.3Å; E639-E641 PolarHBondContact O-N 3.01Å; E639-L655 HydrophobicContact CB-CD1 3.72Å
640	M	94.3	Very high	91.1	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.039	34%	0.338	C	S	.	.			trans	-69.8	121.9	-179.3	-70.5	-168.9	178.7	0	0	112.2	I632 M636 F637 L655 I662 V795 M814	I632-M640 HydrophobicContact CG2-CE 4.45Å; M636-M640 WeakPolarHBondContact O-CG 3.5Å; M636-M640 PolarHBondContact O-N 3.42Å; F637-M640 HydrophobicContact CD1-CE 4.06Å; F637-M640 HydrophobicContact CD1-SD 4.12Å; F637-M640 HydrophobicContact CE1-CE 4.42Å; F637-M640 PolarHBondContact O-N 3.28Å; M640-L655 HydrophobicContact CE-CD2 3.98Å; M640-L655 HydrophobicContact CG-CB 4.25Å; M640-L655 HydrophobicContact CG-CD1 4.28Å; M640-I662 HydrophobicContact SD-CD1 4.28Å; M640-V795 HydrophobicContact CB-CG1 3.94Å; M640-V795 HydrophobicContact CG-CG1 4.36Å; M640-V795 HydrophobicContact SD-CG1 3.91Å; M640-M814 HydrophobicContact CE-CE 3.77Å; M640-M814 HydrophobicContact CE-SD 4.49Å; M640-M814 HydrophobicContact SD-CE 3.88Å
641	E	95.6	Very high	91.8	Very high	104 Å²	104	60.7 Å²	60.7	49%	0.486	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.8	171.2	-176.3	178.4	-154.3	0	0	109.4	E639 I643 T653 K654	E639-E641 PolarHBondContact O-N 3.01Å; E641-I643 PolarHBondContact O-N 3.09Å; E641-T653 CarbonylContact O-C 3.6Å; E641-T653 WeakPolarHBondContact O-CA 3.42Å; E641-T653 WeakPolarHBondContact O-CB 3.47Å; E641-K654 HydrophobicContact CB-CB 4.39Å; E641-K654 PolarHBondContact N-O 2.99Å; E641-K654 PolarHBondContact O-N 2.96Å; E641-K654 IonicContact OE2-NZ 3.48Å; E641-K654 PolarHBondContact OE2-NZ 3.4Å
642	I	97.3	Very high	92.5	Very high	30 Å²	30	59.6 Å²	59.6	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.2	174.5	-51.6	-55	0	0	0	108.2	I651 T653 V788 M791 K792 V795	I642-I651 HydrophobicContact CD1-CG2 4.21Å; I642-I651 HydrophobicContact CG2-CG2 4.19Å; I642-T653 HydrophobicContact CD1-CG2 3.68Å; I642-V788 HydrophobicContact CB-CG1 4.42Å; I642-M791 HydrophobicContact CG2-CB 3.98Å; I642-M791 HydrophobicContact CG2-CE 3.98Å; I642-M791 HydrophobicContact CG2-SD 4.12Å; I642-K792 HydrophobicContact CG1-CB 4.05Å; I642-V795 HydrophobicContact CD1-CB 4.34Å; I642-V795 HydrophobicContact CD1-CG2 3.84Å
643	I	96	Very high	93	Very high	97 Å²	97	59.1 Å²	59.1	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-40.8	173.5	-68.2	172.2	0	0	0	110	E641 I652 K654 I659	E641-I643 PolarHBondContact O-N 3.09Å; I643-I652 HydrophobicContact CB-CB 4.35Å; I643-I652 HydrophobicContact CB-CG2 4.14Å; I643-I652 HydrophobicContact CD1-CG2 4.13Å; I643-I652 HydrophobicContact CG2-CG2 4.43Å; I643-I652 PolarHBondContact N-O 3.36Å; I643-K654 HydrophobicContact CD1-CB 3.7Å; I643-K654 HydrophobicContact CD1-CD 4.42Å; I643-K654 HydrophobicContact CG1-CB 4.14Å; I643-I659 HydrophobicContact CD1-CD1 4.41Å; I643-I659 HydrophobicContact CD1-CG1 4.45Å
644	G	94.9	Very high	93.3	Very high	22 Å²	22	59.3 Å²	59.3	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.4	-169	178.8	0	0	0	0	0	113.2	I652	G644-I652 PolarHBondContact N-O 3.44Å; G644-I652 PolarHBondContact O-N 2.88Å
645	Q	95.8	Very high	93.6	Very high	51 Å²	51	56 Å²	56	24%	0.238	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.1	178.9	-157.4	-178.2	14	0	0	110.8	F650 T784 M791	Q645-F650 CarbonylContact C-O 3.51Å; Q645-F650 WeakPolarHBondContact CA-O 3.28Å; Q645-F650 WeakPolarHBondContact CG-O 3.38Å; Q645-T784 PolarHBondContact NE2-O 3.49Å; Q645-M791 HydrophobicContact CB-CE 4.35Å; Q645-M791 HydrophobicContact CB-SD 3.75Å; Q645-M791 HydrophobicContact CG-SD 4.21Å
646	F	94.7	Very high	93.6	Very high	123 Å²	123	56.6 Å²	56.6	54%	0.539	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.8	173.8	178.2	-105.1	0	0	0	111	L648 G649 F650 I652	F646-L648 PolarHBondContact O-N 2.8Å; F646-G649 PolarHBondContact O-N 3.02Å; F646-F650 HydrophobicContact CB-CB 4.42Å; F646-F650 HydrophobicContact CD1-CD2 4.14Å; F646-F650 PolarHBondContact N-O 3.36Å; F646-F650 PolarHBondContact O-N 2.71Å; F646-I652 HydrophobicContact CB-CD1 3.94Å; F646-I652 HydrophobicContact CB-CG1 3.83Å
647	N	91.8	Very high	93.4	Very high	129 Å²	129	56.3 Å²	56.3	69%	0.69	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	31.3	175.1	-163	58	0	0	0	114.9	G649	N647-G649 PolarHBondContact O-N 3.35Å
648	L	90.1	Very high	93.2	Very high	84 Å²	84	56.6 Å²	56.6	44%	0.44	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	25.2	-178.4	-54.3	176.3	0	0	0	114.9	F646 Q664 G783 A785	F646-L648 PolarHBondContact O-N 2.8Å; L648-Q664 PolarHBondContact O-NE2 3Å; L648-G783 CarbonylContact O-C 3.56Å; L648-G783 WeakPolarHBondContact O-CA 3.38Å; L648-G783 PolarHBondContact O-N 3.18Å; L648-A785 HydrophobicContact CD2-CB 3.93Å
649	G	90.4	Very high	93.3	Very high	6 Å²	6	52.6 Å²	52.6	6%	0.062	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	-16	-176.8	0	0	0	0	0	114.8	F646 N647 Q664	F646-G649 PolarHBondContact O-N 3.02Å; N647-G649 PolarHBondContact O-N 3.35Å; G649-Q664 VanDerWaalsContact C-OE1 3.26Å; G649-Q664 VanDerWaalsContact CA-OE1 3.28Å; G649-Q664 WeakPolarHBondContact O-CG 3.42Å; G649-Q664 PolarHBondContact O-N 3.48Å; G649-Q664 VanDerWaalsContact O-N 3.07Å
650	F	96.3	Very high	93.4	Very high	48 Å²	48	46.3 Å²	46.3	21%	0.211	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.2	-179.5	-58.6	-80.4	0	0	0	111.5	Q645 F646 M661 I662 D663	Q645-F650 CarbonylContact C-O 3.51Å; Q645-F650 WeakPolarHBondContact CA-O 3.28Å; Q645-F650 WeakPolarHBondContact CG-O 3.38Å; F646-F650 HydrophobicContact CB-CB 4.42Å; F646-F650 HydrophobicContact CD1-CD2 4.14Å; F646-F650 PolarHBondContact N-O 3.36Å; F646-F650 PolarHBondContact O-N 2.71Å; F650-M661 HydrophobicContact CB-CG 3.75Å; F650-M661 HydrophobicContact CB-SD 4.23Å; F650-M661 HydrophobicContact CD1-CE 4.32Å; F650-M661 HydrophobicContact CD1-CG 3.69Å; F650-M661 HydrophobicContact CD1-SD 3.92Å; F650-M661 HydrophobicContact CD2-SD 4.29Å; F650-M661 HydrophobicContact CE1-CE 4.29Å; F650-M661 HydrophobicContact CE1-SD 4.38Å; F650-M661 HydrophobicContact CG-CG 3.84Å; F650-M661 HydrophobicContact CG-SD 3.88Å; F650-I662 CarbonylContact C-O 3.57Å; F650-I662 WeakPolarHBondContact CA-O 3.45Å; F650-D663 HydrophobicContact CD1-CB 4.15Å; F650-D663 HydrophobicContact CE1-CB 4.06Å; F650-D663 WeakPolarHBondContact CE1-OD2 3.36Å
651	I	96.9	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.4	168.9	-54.6	169.9	0	0	0	106.7	I642 T653 I662 Q664 L786 M791 L794 V795	I642-I651 HydrophobicContact CD1-CG2 4.21Å; I642-I651 HydrophobicContact CG2-CG2 4.19Å; I651-T653 HydrophobicContact CG2-CG2 3.83Å; I651-I662 HydrophobicContact CB-CB 4.3Å; I651-I662 PolarHBondContact N-O 2.84Å; I651-I662 PolarHBondContact O-N 2.94Å; I651-Q664 HydrophobicContact CD1-CB 4.33Å; I651-Q664 HydrophobicContact CG1-CB 4.26Å; I651-L786 HydrophobicContact CD1-CD1 4.49Å; I651-M791 HydrophobicContact CB-SD 4.43Å; I651-M791 HydrophobicContact CD1-CB 3.98Å; I651-M791 HydrophobicContact CD1-CG 4Å; I651-M791 HydrophobicContact CG1-CB 4.23Å; I651-M791 HydrophobicContact CG1-CG 3.86Å; I651-M791 HydrophobicContact CG1-SD 4.07Å; I651-M791 HydrophobicContact CG2-CB 3.99Å; I651-M791 HydrophobicContact CG2-CG 4.23Å; I651-M791 HydrophobicContact CG2-SD 3.97Å; I651-L794 HydrophobicContact CD1-CB 4.13Å; I651-L794 HydrophobicContact CD1-CD1 4.2Å; I651-V795 HydrophobicContact CD1-CG2 4.49Å; I651-V795 HydrophobicContact CG2-CG2 4.37Å
652	I	97.2	Very high	93.4	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.138	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.4	173.2	-53	-55.9	0	0	0	108	I643 G644 F646 I659 M661 L817	I643-I652 HydrophobicContact CB-CB 4.35Å; I643-I652 HydrophobicContact CB-CG2 4.14Å; I643-I652 HydrophobicContact CD1-CG2 4.13Å; I643-I652 HydrophobicContact CG2-CG2 4.43Å; I643-I652 PolarHBondContact N-O 3.36Å; G644-I652 PolarHBondContact N-O 3.44Å; G644-I652 PolarHBondContact O-N 2.88Å; F646-I652 HydrophobicContact CB-CD1 3.94Å; F646-I652 HydrophobicContact CB-CG1 3.83Å; I652-I659 HydrophobicContact CG2-CG2 3.81Å; I652-M661 HydrophobicContact CD1-CB 4.14Å; I652-M661 HydrophobicContact CD1-CG 3.91Å; I652-L817 HydrophobicContact CD1-CD1 4.26Å
653	T	96.6	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.5	178.7	69	0	0	0	0	111.9	E641 I642 I651 I659 F660 I662 V795	E641-T653 CarbonylContact O-C 3.6Å; E641-T653 WeakPolarHBondContact O-CA 3.42Å; E641-T653 WeakPolarHBondContact O-CB 3.47Å; I642-T653 HydrophobicContact CD1-CG2 3.68Å; I651-T653 HydrophobicContact CG2-CG2 3.83Å; T653-I659 WeakPolarHBondContact O-CA 3.42Å; T653-F660 PolarHBondContact N-O 2.94Å; T653-F660 PolarHBondContact O-N 3.08Å; T653-I662 HydrophobicContact CG2-CD1 3.64Å; T653-I662 HydrophobicContact CG2-CG1 4.49Å; T653-V795 HydrophobicContact CG2-CG2 3.96Å
654	K	93.9	Very high	93.2	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.4	176.7	161.5	168.5	162.4	-98.6	0	110	E641 I643 N656 D658 L820	E641-K654 HydrophobicContact CB-CB 4.39Å; E641-K654 PolarHBondContact N-O 2.99Å; E641-K654 PolarHBondContact O-N 2.96Å; E641-K654 IonicContact OE2-NZ 3.48Å; E641-K654 PolarHBondContact OE2-NZ 3.4Å; I643-K654 HydrophobicContact CD1-CB 3.7Å; I643-K654 HydrophobicContact CD1-CD 4.42Å; I643-K654 HydrophobicContact CG1-CB 4.14Å; K654-N656 VanDerWaalsContact CE-O 3.26Å; K654-N656 WeakPolarHBondContact CE-O 3.47Å; K654-D658 CarbonylContact C-O 3.59Å; K654-D658 WeakPolarHBondContact CA-O 3.31Å; K654-L820 HydrophobicContact CD-CD1 4.15Å
655	L	91.4	Very high	93.2	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110.9	174.7	-175	65.2	0	0	0	108.4	I632 M636 E639 M640 S657 D658 F660	I632-L655 HydrophobicContact CD1-CD2 3.9Å; M636-L655 HydrophobicContact CB-CD2 3.99Å; M636-L655 HydrophobicContact CE-CD2 3.62Å; E639-L655 HydrophobicContact CB-CD1 3.72Å; M640-L655 HydrophobicContact CE-CD2 3.98Å; M640-L655 HydrophobicContact CG-CB 4.25Å; M640-L655 HydrophobicContact CG-CD1 4.28Å; L655-S657 PolarHBondContact O-N 3.29Å; L655-S657 VanDerWaalsContact O-N 3.07Å; L655-D658 PolarHBondContact N-O 2.95Å; L655-D658 PolarHBondContact O-N 2.91Å; L655-F660 HydrophobicContact CB-CD2 4.49Å; L655-F660 HydrophobicContact CB-CE2 4.02Å
656	N	87.9	Confident	93.1	Very high	109 Å²	109	35 Å²	35	58%	0.583	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	-109.5	-167.5	-58.5	-91.4	0	0	0	110.9	K654	K654-N656 VanDerWaalsContact CE-O 3.26Å; K654-N656 WeakPolarHBondContact CE-O 3.47Å
657	S	86.3	Confident	93.1	Very high	29 Å²	29	29.2 Å²	29.2	20%	0.203	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-4.3	-179.8	-52	0	0	0	0	113.1	L655 N819 L820 E821	L655-S657 PolarHBondContact O-N 3.29Å; L655-S657 VanDerWaalsContact O-N 3.07Å; S657-N819 CarbonylContact O-C 3.51Å; S657-N819 WeakPolarHBondContact O-CA 3.41Å; S657-L820 PolarHBondContact O-N 3.23Å; S657-E821 VanDerWaalsContact CB-OE1 3.28Å; S657-E821 WeakPolarHBondContact CB-OE1 3.43Å; S657-E821 PolarHBondContact OG-OE1 3.31Å
658	D	88	Confident	93.3	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.053	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.4	-178.3	-68.9	-68	0	0	0	111.2	K654 L655 F660 H816 N819	K654-D658 CarbonylContact C-O 3.59Å; K654-D658 WeakPolarHBondContact CA-O 3.31Å; L655-D658 PolarHBondContact N-O 2.95Å; L655-D658 PolarHBondContact O-N 2.91Å; D658-F660 HydrophobicContact CB-CD2 4.5Å; D658-F660 HydrophobicContact CB-CE2 3.56Å; D658-F660 HydrophobicContact CB-CZ 3.91Å; D658-H816 IonicContact OD1-CD2 3.22Å; D658-H816 IonicContact OD1-CE1 2.72Å; D658-H816 IonicContact OD1-NE2 2.6Å; D658-H816 PolarHBondContact OD1-NE2 3.18Å; D658-N819 WeakPolarHBondContact OD1-CB 3.37Å; D658-N819 PolarHBondContact OD1-ND2 2.62Å; D658-N819 PolarHBondContact OD2-ND2 3.22Å
659	I	92.3	Very high	93.5	Very high	28 Å²	28	20 Å²	20	14%	0.144	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.6	176	-62.6	179.2	0	0	0	109.3	I643 I652 T653 L817 A818 L820	I643-I659 HydrophobicContact CD1-CD1 4.41Å; I643-I659 HydrophobicContact CD1-CG1 4.45Å; I652-I659 HydrophobicContact CG2-CG2 3.81Å; T653-I659 WeakPolarHBondContact O-CA 3.42Å; I659-L817 HydrophobicContact CG2-CB 4.3Å; I659-L817 HydrophobicContact CG2-CD1 4.13Å; I659-L817 PolarHBondContact O-N 3.43Å; I659-A818 PolarHBondContact N-O 3.1Å; I659-L820 HydrophobicContact CD1-CD1 4.16Å; I659-L820 HydrophobicContact CD1-CD2 3.83Å; I659-L820 HydrophobicContact CD1-CG 3.94Å; I659-L820 HydrophobicContact CG1-CD1 4.38Å; I659-L820 HydrophobicContact CG1-CG 4.29Å
660	F	93.3	Very high	93.7	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.4	178	-58.6	-97.2	0	0	0	111	F612 L628 I632 T653 L655 D658 M814 R815 H816	F612-F660 HydrophobicContact CD2-CZ 4.23Å; F612-F660 HydrophobicContact CE1-CE1 4.34Å; F612-F660 HydrophobicContact CE2-CE1 4.22Å; F612-F660 AromaticContact CE2-CZ 3.67Å; F612-F660 HydrophobicContact CE2-CZ 3.67Å; F612-F660 HydrophobicContact CZ-CE1 4.09Å; F612-F660 AromaticContact CZ-CZ 3.85Å; F612-F660 HydrophobicContact CZ-CZ 3.85Å; L628-F660 HydrophobicContact CD2-CD1 4.23Å; L628-F660 HydrophobicContact CD2-CE1 3.83Å; I632-F660 HydrophobicContact CD1-CE1 4.33Å; I632-F660 HydrophobicContact CD1-CZ 3.94Å; T653-F660 PolarHBondContact N-O 2.94Å; T653-F660 PolarHBondContact O-N 3.08Å; L655-F660 HydrophobicContact CB-CD2 4.49Å; L655-F660 HydrophobicContact CB-CE2 4.02Å; D658-F660 HydrophobicContact CB-CD2 4.5Å; D658-F660 HydrophobicContact CB-CE2 3.56Å; D658-F660 HydrophobicContact CB-CZ 3.91Å; F660-M814 HydrophobicContact CB-CE 4.47Å; F660-M814 HydrophobicContact CB-CG 4.41Å; F660-M814 HydrophobicContact CD1-CG 4.09Å; F660-M814 HydrophobicContact CD1-SD 3.95Å; F660-M814 HydrophobicContact CG-SD 4.47Å; F660-R815 CarbonylContact C-O 3.46Å; F660-R815 VanDerWaalsContact CA-O 3.25Å; F660-R815 WeakPolarHBondContact CA-O 3.49Å; F660-H816 HydrophobicContact CD1-CB 4.19Å; F660-H816 HydrophobicContact CE1-CB 4.05Å; F660-H816 AromaticContact CE1-CD2 3.84Å; F660-H816 AromaticContact CZ-CD2 3.86Å
661	M	94.6	Very high	93.6	Very high	46 Å²	46	20.3 Å²	20.3	23%	0.227	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.4	169.2	-175.1	172.6	68.2	0	0	108.2	F650 I652 M814 R815 L817	F650-M661 HydrophobicContact CB-CG 3.75Å; F650-M661 HydrophobicContact CB-SD 4.23Å; F650-M661 HydrophobicContact CD1-CE 4.32Å; F650-M661 HydrophobicContact CD1-CG 3.69Å; F650-M661 HydrophobicContact CD1-SD 3.92Å; F650-M661 HydrophobicContact CD2-SD 4.29Å; F650-M661 HydrophobicContact CE1-CE 4.29Å; F650-M661 HydrophobicContact CE1-SD 4.38Å; F650-M661 HydrophobicContact CG-CG 3.84Å; F650-M661 HydrophobicContact CG-SD 3.88Å; I652-M661 HydrophobicContact CD1-CB 4.14Å; I652-M661 HydrophobicContact CD1-CG 3.91Å; M661-M814 CarbonylContact O-C 3.53Å; M661-M814 WeakPolarHBondContact O-CA 3.43Å; M661-R815 PolarHBondContact N-O 2.99Å; M661-R815 PolarHBondContact O-N 3.46Å; M661-L817 HydrophobicContact CB-CD1 3.91Å; M661-L817 HydrophobicContact CB-CD2 3.86Å; M661-L817 HydrophobicContact CB-CG 3.79Å; M661-L817 HydrophobicContact CE-CD2 4.29Å; M661-L817 HydrophobicContact SD-CD2 4.35Å
662	I	95.4	Very high	93.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.8	-178.6	-58.5	175	0	0	0	108.3	M640 F650 I651 T653 T667 V795 M798 T813 M814	M640-I662 HydrophobicContact SD-CD1 4.28Å; F650-I662 CarbonylContact C-O 3.57Å; F650-I662 WeakPolarHBondContact CA-O 3.45Å; I651-I662 HydrophobicContact CB-CB 4.3Å; I651-I662 PolarHBondContact N-O 2.84Å; I651-I662 PolarHBondContact O-N 2.94Å; T653-I662 HydrophobicContact CG2-CD1 3.64Å; T653-I662 HydrophobicContact CG2-CG1 4.49Å; I662-T667 HydrophobicContact CG2-CG2 4.34Å; I662-T667 VanDerWaalsContact CG2-OG1 3.28Å; I662-T667 WeakPolarHBondContact CG2-OG1 3.42Å; I662-V795 HydrophobicContact CD1-CG1 4.18Å; I662-V795 HydrophobicContact CD1-CG2 3.7Å; I662-M798 HydrophobicContact CD1-SD 4.09Å; I662-M798 HydrophobicContact CG2-SD 3.79Å; I662-T813 CarbonylContact C-O 3.56Å; I662-T813 VanDerWaalsContact CA-O 3.29Å; I662-T813 WeakPolarHBondContact CA-O 3.26Å; I662-M814 HydrophobicContact CD1-CE 3.4Å; I662-M814 HydrophobicContact CG1-CB 4.45Å; I662-M814 HydrophobicContact CG1-CE 3.54Å; I662-M814 HydrophobicContact CG1-CG 4.35Å
663	D	95.4	Very high	93.3	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.053	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.7	-179.8	-170.1	-60	0	0	0	109.6	F650 H665 A666 T667 R811 T813	F650-D663 HydrophobicContact CD1-CB 4.15Å; F650-D663 HydrophobicContact CE1-CB 4.06Å; F650-D663 WeakPolarHBondContact CE1-OD2 3.36Å; D663-H665 VanDerWaalsContact C-N 3.31Å; D663-H665 PolarHBondContact O-N 3.05Å; D663-H665 PolarHBondContact OD1-N 2.79Å; D663-A666 HydrophobicContact CB-CB 3.89Å; D663-A666 WeakPolarHBondContact OD1-CB 3.41Å; D663-A666 PolarHBondContact OD1-N 2.85Å; D663-T667 WeakPolarHBondContact O-CB 3.22Å; D663-T667 PolarHBondContact O-N 2.9Å; D663-T667 PolarHBondContact O-OG1 3.32Å; D663-R811 IonicContact OD1-CZ 3.83Å; D663-R811 IonicContact OD1-NE 3.97Å; D663-R811 IonicContact OD1-NH2 3.64Å; D663-R811 PolarHBondContact OD1-NH2 3.35Å; D663-R811 IonicContact OD2-CZ 2.68Å; D663-R811 IonicContact OD2-NE 2.66Å; D663-R811 PolarHBondContact OD2-NE 2.84Å; D663-R811 IonicContact OD2-NH2 3.82Å; D663-R811 PolarHBondContact OD2-NH2 3.48Å; D663-T813 PolarHBondContact N-O 2.96Å
664	Q	94.9	Very high	93.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-35.6	-168.7	79.6	-167	39.3	0	0	112.4	L648 G649 I651 D668 V780 M781 T784 L786 L794	L648-Q664 PolarHBondContact O-NE2 3Å; G649-Q664 VanDerWaalsContact C-OE1 3.26Å; G649-Q664 VanDerWaalsContact CA-OE1 3.28Å; G649-Q664 WeakPolarHBondContact O-CG 3.42Å; G649-Q664 PolarHBondContact O-N 3.48Å; G649-Q664 VanDerWaalsContact O-N 3.07Å; I651-Q664 HydrophobicContact CD1-CB 4.33Å; I651-Q664 HydrophobicContact CG1-CB 4.26Å; Q664-D668 WeakPolarHBondContact O-CB 3.35Å; Q664-D668 PolarHBondContact O-N 3.43Å; Q664-V780 HydrophobicContact CG-CG1 4.06Å; Q664-M781 PolarHBondContact NE2-O 3.02Å; Q664-T784 PolarHBondContact NE2-O 3.45Å; Q664-L786 HydrophobicContact CB-CD1 4.08Å; Q664-L786 HydrophobicContact CG-CD1 4.45Å; Q664-L794 HydrophobicContact CB-CD1 4.37Å
665	H	94	Very high	93.1	Very high	17 Å²	17	19.9 Å²	19.9	8%	0.079	10%	0.101	C	C	.	.	H	α-helix	trans	-76.9	-51.1	180	-177.3	76.3	0	0	0	110.8	D663 T667 D668 E669 C776 V780 I782	D663-H665 VanDerWaalsContact C-N 3.31Å; D663-H665 PolarHBondContact O-N 3.05Å; D663-H665 PolarHBondContact OD1-N 2.79Å; H665-T667 PolarHBondContact O-N 2.77Å; H665-D668 PolarHBondContact O-N 3.06Å; H665-E669 WeakPolarHBondContact O-CB 3.25Å; H665-E669 PolarHBondContact O-N 3.28Å; H665-C776 PolarHBondContact NE2-SG 2.86Å; H665-C776 VanDerWaalsContact NE2-SG 3.44Å; H665-V780 PolarHBondContact ND1-O 3.43Å; H665-I782 HydrophobicContact CB-CG1 3.88Å
666	A	93.9	Very high	93.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-32.7	-177.5	0	0	0	0	0	112.4	D663 K670 C807 R811 T813	D663-A666 HydrophobicContact CB-CB 3.89Å; D663-A666 WeakPolarHBondContact OD1-CB 3.41Å; D663-A666 PolarHBondContact OD1-N 2.85Å; A666-K670 VanDerWaalsContact O-CB 3.25Å; A666-K670 WeakPolarHBondContact O-CB 3.32Å; A666-K670 PolarHBondContact O-N 2.6Å; A666-C807 HydrophobicContact CB-CB 3.96Å; A666-C807 WeakPolarHBondContact O-CB 3.41Å; A666-R811 HydrophobicContact CB-CB 4.41Å; A666-R811 HydrophobicContact CB-CG 4.06Å; A666-T813 HydrophobicContact CB-CG2 4.22Å
667	T	94.6	Very high	93.2	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-71	-51.5	178.2	-60.7	0	0	0	0	112.2	I662 D663 H665 E669 K670 Y671 L794 M798	I662-T667 HydrophobicContact CG2-CG2 4.34Å; I662-T667 VanDerWaalsContact CG2-OG1 3.28Å; I662-T667 WeakPolarHBondContact CG2-OG1 3.42Å; D663-T667 WeakPolarHBondContact O-CB 3.22Å; D663-T667 PolarHBondContact O-N 2.9Å; D663-T667 PolarHBondContact O-OG1 3.32Å; H665-T667 PolarHBondContact O-N 2.77Å; T667-E669 VanDerWaalsContact C-N 3.33Å; T667-E669 PolarHBondContact O-N 2.81Å; T667-K670 PolarHBondContact O-N 3.27Å; T667-Y671 PolarHBondContact O-N 2.75Å; T667-L794 WeakPolarHBondContact CG2-O 3.44Å; T667-M798 HydrophobicContact CG2-CE 4.25Å; T667-M798 HydrophobicContact CG2-CG 3.41Å; T667-M798 VanDerWaalsContact CG2-CG 3.41Å; T667-M798 HydrophobicContact CG2-SD 3.7Å
668	D	95.2	Very high	93.3	Very high	17 Å²	17	21.3 Å²	21.3	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-36.6	177.8	-170.1	33.1	0	0	0	111.4	Q664 H665 K670 Y671 N672 S779 V780 L794	Q664-D668 WeakPolarHBondContact O-CB 3.35Å; Q664-D668 PolarHBondContact O-N 3.43Å; H665-D668 PolarHBondContact O-N 3.06Å; D668-K670 VanDerWaalsContact C-N 3.34Å; D668-K670 PolarHBondContact O-N 2.96Å; D668-Y671 PolarHBondContact O-N 3.24Å; D668-N672 VanDerWaalsContact CG-ND2 3.35Å; D668-N672 WeakPolarHBondContact O-CB 3.12Å; D668-N672 PolarHBondContact O-N 3.42Å; D668-N672 PolarHBondContact O-ND2 3.03Å; D668-N672 PolarHBondContact OD1-ND2 3.27Å; D668-S779 PolarHBondContact O-OG 3.48Å; D668-S779 WeakPolarHBondContact OD2-CA 3.38Å; D668-S779 WeakPolarHBondContact OD2-CB 3.48Å; D668-V780 PolarHBondContact OD2-N 3.12Å; D668-L794 HydrophobicContact CB-CD1 4.39Å; D668-L794 HydrophobicContact CB-CD2 3.66Å
669	E	94.4	Very high	93.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-46.1	171.2	-176.5	-170	-169.2	0	0	111.5	H665 T667 N672 F673 A775 C776 S779 C807 P808 H809	H665-E669 WeakPolarHBondContact O-CB 3.25Å; H665-E669 PolarHBondContact O-N 3.28Å; T667-E669 VanDerWaalsContact C-N 3.33Å; T667-E669 PolarHBondContact O-N 2.81Å; E669-N672 PolarHBondContact O-N 3.46Å; E669-F673 WeakPolarHBondContact O-CB 3.5Å; E669-F673 PolarHBondContact O-N 3.22Å; E669-A775 HydrophobicContact CG-CB 4.26Å; E669-C776 HydrophobicContact CG-CB 4.24Å; E669-S779 WeakPolarHBondContact CA-OG 3.41Å; E669-S779 PolarHBondContact N-OG 2.95Å; E669-C807 WeakPolarHBondContact OE2-CB 3.3Å; E669-C807 PolarHBondContact OE2-SG 3.13Å; E669-P808 HydrophobicContact CG-CG 4.19Å; E669-H809 IonicContact OE1-CE1 2.7Å; E669-H809 PolarHBondContact OE1-CE1 2.89Å; E669-H809 IonicContact OE1-CG 2.94Å; E669-H809 IonicContact OE1-ND1 3.86Å; E669-H809 PolarHBondContact OE1-ND1 3.06Å
670	K	94.3	Very high	93.1	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.087	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-41.3	179.1	-176.7	50.9	168	165.6	0	112	A666 T667 D668 F673 E674 I801 H803 N806 T813	A666-K670 VanDerWaalsContact O-CB 3.25Å; A666-K670 WeakPolarHBondContact O-CB 3.32Å; A666-K670 PolarHBondContact O-N 2.6Å; T667-K670 PolarHBondContact O-N 3.27Å; D668-K670 VanDerWaalsContact C-N 3.34Å; D668-K670 PolarHBondContact O-N 2.96Å; K670-F673 PolarHBondContact O-N 3.4Å; K670-E674 HydrophobicContact CD-CG 4.4Å; K670-E674 WeakPolarHBondContact CE-OE1 3.2Å; K670-E674 IonicContact NZ-OE1 2.75Å; K670-E674 PolarHBondContact NZ-OE1 3.47Å; K670-E674 PolarHBondContact O-N 3.17Å; K670-E674 VanDerWaalsContact O-N 3.09Å; K670-I801 HydrophobicContact CG-CD1 3.85Å; K670-H803 WeakPolarHBondContact CE-O 3.29Å; K670-N806 WeakPolarHBondContact CD-O 3.44Å; K670-N806 WeakPolarHBondContact CE-O 3.35Å; K670-T813 HydrophobicContact CB-CG2 4.34Å
671	Y	95.3	Very high	92.9	Very high	39 Å²	39	32.3 Å²	32.3	15%	0.153	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-55.5	173.4	-176.4	-98.3	0	0	0	111.9	T667 D668 F673 E674 M675 H797 E800 I801	T667-Y671 PolarHBondContact O-N 2.75Å; D668-Y671 PolarHBondContact O-N 3.24Å; Y671-F673 PolarHBondContact O-N 2.96Å; Y671-E674 PolarHBondContact O-N 3.34Å; Y671-M675 HydrophobicContact CD1-CG 4.14Å; Y671-M675 HydrophobicContact CE1-CG 3.83Å; Y671-M675 HydrophobicContact CE2-CG 4.31Å; Y671-M675 VanDerWaalsContact O-CG 3.32Å; Y671-M675 WeakPolarHBondContact O-CG 3.43Å; Y671-M675 PolarHBondContact O-N 3.43Å; Y671-H797 AromaticContact CD1-CE1 3.71Å; Y671-H797 AromaticContact CD1-ND1 3.34Å; Y671-H797 VanDerWaalsContact CD1-ND1 3.34Å; Y671-H797 WeakPolarHBondContact CD1-ND1 3.45Å; Y671-H797 HydrophobicContact CD2-CB 3.47Å; Y671-H797 VanDerWaalsContact CD2-CB 3.47Å; Y671-H797 AromaticContact CD2-CG 3.66Å; Y671-H797 AromaticContact CD2-ND1 3.77Å; Y671-H797 AromaticContact CE1-CE1 3.47Å; Y671-H797 VanDerWaalsContact CE1-CE1 3.47Å; Y671-H797 WeakPolarHBondContact CE1-CE1 3.41Å; Y671-H797 AromaticContact CE1-ND1 3.51Å; Y671-H797 HydrophobicContact CE2-CB 3.81Å; Y671-H797 AromaticContact CE2-CG 3.65Å; Y671-H797 AromaticContact CE2-ND1 3.92Å; Y671-H797 HydrophobicContact CG-CB 3.91Å; Y671-H797 AromaticContact CG-CG 3.86Å; Y671-H797 AromaticContact CG-ND1 3.46Å; Y671-H797 AromaticContact CZ-CD2 3.93Å; Y671-H797 AromaticContact CZ-CE1 3.81Å; Y671-H797 AromaticContact CZ-CG 3.84Å; Y671-H797 AromaticContact CZ-ND1 3.78Å; Y671-H797 AromaticContact CZ-NE2 3.96Å; Y671-E800 HydrophobicContact CE2-CB 4.21Å; Y671-E800 VanDerWaalsContact CE2-OE2 3.22Å; Y671-E800 WeakPolarHBondContact CE2-OE2 3.4Å; Y671-E800 PolarHBondContact OH-OE2 3.29Å; Y671-I801 HydrophobicContact CD2-CG2 3.85Å
672	N	94.2	Very high	92.6	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-33.6	179.3	-75.6	-61.9	0	0	0	112.3	D668 E669 L676 A775 K778 S779	D668-N672 VanDerWaalsContact CG-ND2 3.35Å; D668-N672 WeakPolarHBondContact O-CB 3.12Å; D668-N672 PolarHBondContact O-N 3.42Å; D668-N672 PolarHBondContact O-ND2 3.03Å; D668-N672 PolarHBondContact OD1-ND2 3.27Å; E669-N672 PolarHBondContact O-N 3.46Å; N672-L676 WeakPolarHBondContact O-CB 3.15Å; N672-L676 WeakPolarHBondContact O-CG 3.17Å; N672-L676 PolarHBondContact O-N 2.68Å; N672-A775 HydrophobicContact CB-CB 3.94Å; N672-K778 WeakPolarHBondContact OD1-CD 3.45Å; N672-K778 WeakPolarHBondContact OD1-CE 3.43Å; N672-K778 PolarHBondContact OD1-NZ 3.11Å; N672-S779 PolarHBondContact ND2-OG 3.38Å; N672-S779 VanDerWaalsContact ND2-OG 3.11Å
673	F	93.9	Very high	92.1	Very high	16 Å²	16	38.9 Å²	38.9	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-47.5	176.5	176.2	-108.4	0	0	0	113.6	E669 K670 Y671 L676 Q677 R768 F771 A772 A775 P808	E669-F673 WeakPolarHBondContact O-CB 3.5Å; E669-F673 PolarHBondContact O-N 3.22Å; K670-F673 PolarHBondContact O-N 3.4Å; Y671-F673 PolarHBondContact O-N 2.96Å; F673-L676 PolarHBondContact O-N 3.08Å; F673-Q677 HydrophobicContact CD2-CG 4.48Å; F673-Q677 VanDerWaalsContact CE1-CD 3.43Å; F673-Q677 HydrophobicContact CE1-CG 4.19Å; F673-Q677 HydrophobicContact CE2-CG 4.06Å; F673-Q677 HydrophobicContact CZ-CG 3.92Å; F673-Q677 VanDerWaalsContact CZ-OE1 3.31Å; F673-Q677 WeakPolarHBondContact O-CG 3.44Å; F673-Q677 PolarHBondContact O-N 3.11Å; F673-R768 WeakPolarHBondContact CE2-O 3.25Å; F673-R768 HydrophobicContact CZ-CB 4.33Å; F673-R768 HydrophobicContact CZ-CG 4.47Å; F673-F771 HydrophobicContact CD2-CB 3.92Å; F673-F771 HydrophobicContact CE2-CB 3.88Å; F673-A772 HydrophobicContact CD2-CB 4.26Å; F673-A772 HydrophobicContact CE2-CB 4.23Å; F673-A775 HydrophobicContact CB-CB 3.86Å; F673-P808 HydrophobicContact CB-CG 3.48Å; F673-P808 VanDerWaalsContact CB-CG 3.48Å; F673-P808 HydrophobicContact CD1-CB 4.19Å; F673-P808 HydrophobicContact CD1-CG 3.63Å; F673-P808 HydrophobicContact CD2-CB 4.15Å; F673-P808 HydrophobicContact CD2-CG 3.81Å; F673-P808 HydrophobicContact CE1-CB 4.33Å; F673-P808 HydrophobicContact CE1-CG 4.26Å; F673-P808 HydrophobicContact CE2-CB 4.32Å; F673-P808 HydrophobicContact CE2-CG 4.44Å; F673-P808 HydrophobicContact CG-CB 4.07Å; F673-P808 HydrophobicContact CG-CG 3.35Å; F673-P808 HydrophobicContact CZ-CB 4.4Å
674	E	92.8	Very high	91.7	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-39.9	178.5	-70.7	-164.4	-175.6	0	0	111.5	K670 Y671 L676 Q677 Q678 I801 E802 H803	K670-E674 HydrophobicContact CD-CG 4.4Å; K670-E674 WeakPolarHBondContact CE-OE1 3.2Å; K670-E674 IonicContact NZ-OE1 2.75Å; K670-E674 PolarHBondContact NZ-OE1 3.47Å; K670-E674 PolarHBondContact O-N 3.17Å; K670-E674 VanDerWaalsContact O-N 3.09Å; Y671-E674 PolarHBondContact O-N 3.34Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 3Å; E674-Q677 PolarHBondContact O-N 3.1Å; E674-Q678 WeakPolarHBondContact O-CG 3.14Å; E674-Q678 PolarHBondContact O-N 2.91Å; E674-I801 HydrophobicContact CB-CG2 4.01Å; E674-I801 HydrophobicContact CG-CG2 4.42Å; E674-I801 WeakPolarHBondContact OE2-CB 3.49Å; E674-E802 PolarHBondContact OE2-N 2.92Å; E674-H803 PolarHBondContact OE1-N 3.48Å; E674-H803 IonicContact OE1-ND1 3.82Å
675	M	93.6	Very high	91.3	Very high	46 Å²	46	46.2 Å²	46.2	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-41.5	172.1	-66.2	-64	101.2	0	0	112.5	Y671 Q678 H679	Y671-M675 HydrophobicContact CD1-CG 4.14Å; Y671-M675 HydrophobicContact CE1-CG 3.83Å; Y671-M675 HydrophobicContact CE2-CG 4.31Å; Y671-M675 VanDerWaalsContact O-CG 3.32Å; Y671-M675 WeakPolarHBondContact O-CG 3.43Å; Y671-M675 PolarHBondContact O-N 3.43Å; M675-Q678 VanDerWaalsContact CE-OE1 3.3Å; M675-H679 PolarHBondContact O-CD2 2.98Å; M675-H679 PolarHBondContact O-N 3.16Å
676	L	91.3	Very high	91	Very high	35 Å²	35	53.3 Å²	53.3	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-43.3	174.4	-79.8	170.2	0	0	0	112.1	N672 F673 E674 T680 F771 R774 A775	N672-L676 WeakPolarHBondContact O-CB 3.15Å; N672-L676 WeakPolarHBondContact O-CG 3.17Å; N672-L676 PolarHBondContact O-N 2.68Å; F673-L676 PolarHBondContact O-N 3.08Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 3Å; L676-T680 WeakPolarHBondContact CD2-OG1 3.36Å; L676-T680 WeakPolarHBondContact O-CB 3.39Å; L676-T680 PolarHBondContact O-N 3.05Å; L676-T680 VanDerWaalsContact O-N 3.16Å; L676-T680 PolarHBondContact O-OG1 3.46Å; L676-F771 HydrophobicContact CB-CB 4.16Å; L676-F771 HydrophobicContact CB-CD1 4.23Å; L676-F771 HydrophobicContact CB-CD2 4.42Å; L676-F771 HydrophobicContact CB-CG 4.04Å; L676-F771 HydrophobicContact CD1-CB 4.41Å; L676-R774 HydrophobicContact CD1-CB 3.87Å; L676-A775 HydrophobicContact CD1-CB 4.19Å
677	Q	89.8	Confident	90.7	Very high	43 Å²	43	55.9 Å²	55.9	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-41.3	177.9	-71.8	-171.7	121.6	0	0	112.6	F673 E674 R763 F771	F673-Q677 HydrophobicContact CD2-CG 4.48Å; F673-Q677 VanDerWaalsContact CE1-CD 3.43Å; F673-Q677 HydrophobicContact CE1-CG 4.19Å; F673-Q677 HydrophobicContact CE2-CG 4.06Å; F673-Q677 HydrophobicContact CZ-CG 3.92Å; F673-Q677 VanDerWaalsContact CZ-OE1 3.31Å; F673-Q677 WeakPolarHBondContact O-CG 3.44Å; F673-Q677 PolarHBondContact O-N 3.11Å; E674-Q677 PolarHBondContact O-N 3.1Å; Q677-R763 HydrophobicContact CB-CG 4.4Å; Q677-R763 HydrophobicContact CG-CG 4.32Å; Q677-R763 PolarHBondContact O-NE 3.26Å; Q677-R763 PolarHBondContact O-NH2 3.19Å; Q677-F771 HydrophobicContact CG-CD2 3.98Å
678	Q	87.4	Confident	90.4	Very high	97 Å²	97	64.3 Å²	64.3	45%	0.453	32%	0.318	S	S	.	.	H	α-helix	trans	-74	-50.1	-177.4	-70.3	174.2	2.6	0	0	112.2	E674 M675	E674-Q678 WeakPolarHBondContact O-CG 3.14Å; E674-Q678 PolarHBondContact O-N 2.91Å; M675-Q678 VanDerWaalsContact CE-OE1 3.3Å
679	H	88.3	Confident	90.1	Very high	139 Å²	139	68.6 Å²	68.6	64%	0.644	35%	0.345	S	S	*	.	H	α-helix	trans	-99	-15.7	-167	-60.9	-66.6	0	0	0	115.7	M675 V681	M675-H679 PolarHBondContact O-CD2 2.98Å; M675-H679 PolarHBondContact O-N 3.16Å; H679-V681 PolarHBondContact O-N 3.25Å
680	T	88.9	Confident	89.9	Confident	33 Å²	33	71.5 Å²	71.5	20%	0.202	36%	0.364	C	S	.	.			trans	-81.1	111.3	-176.1	-46.9	0	0	0	0	111.9	L676 L682 R763 F771	L676-T680 WeakPolarHBondContact CD2-OG1 3.36Å; L676-T680 WeakPolarHBondContact O-CB 3.39Å; L676-T680 PolarHBondContact O-N 3.05Å; L676-T680 VanDerWaalsContact O-N 3.16Å; L676-T680 PolarHBondContact O-OG1 3.46Å; T680-L682 HydrophobicContact CG2-CD2 4.15Å; T680-R763 PolarHBondContact O-NH1 2.82Å; T680-R763 PolarHBondContact O-NH2 3.15Å; T680-F771 HydrophobicContact CG2-CE1 3.85Å; T680-F771 HydrophobicContact CG2-CZ 3.91Å
681	V	89.7	Confident	89.6	Confident	99 Å²	99	75 Å²	75	60%	0.6	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-78.6	129.2	161	178.7	0	0	0	0	108.5	H679	H679-V681 PolarHBondContact O-N 3.25Å
682	L	87.4	Confident	89.2	Confident	16 Å²	16	77.8 Å²	77.8	8%	0.084	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-84.9	139.1	174.2	-63.7	-177.3	0	0	0	110.5	T680 K712 N713 G714 V767 M770 F771	T680-L682 HydrophobicContact CG2-CD2 4.15Å; L682-K712 PolarHBondContact N-O 3.45Å; L682-N713 WeakPolarHBondContact CB-O 3.39Å; L682-N713 WeakPolarHBondContact CD1-O 3.29Å; L682-G714 VanDerWaalsContact O-CA 3.28Å; L682-G714 WeakPolarHBondContact O-CA 3.29Å; L682-V767 HydrophobicContact CD1-CB 4.45Å; L682-V767 HydrophobicContact CD1-CG1 3.82Å; L682-V767 HydrophobicContact CD1-CG2 3.72Å; L682-M770 HydrophobicContact CD1-CE 4.47Å; L682-M770 HydrophobicContact CD2-CE 3.73Å; L682-F771 HydrophobicContact CD2-CE1 3.93Å; L682-F771 HydrophobicContact CD2-CZ 3.87Å; L682-F771 HydrophobicContact CG-CZ 4.35Å
683	Q	84.9	Confident	88.8	Confident	167 Å²	167	78 Å²	78	78%	0.78	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-81.5	131.7	176.3	-71.8	-179.9	-31.8	0	0	110.6	T736	Q683-T736 PolarHBondContact O-N 2.99Å
684	G	87.1	Confident	88.4	Confident	37 Å²	37	85.2 Å²	85.2	38%	0.381	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.5	173.4	0	0	0	0	0	112.3	G714 S733 L734	G684-G714 WeakPolarHBondContact CA-O 3.16Å; G684-S733 WeakPolarHBondContact CA-OG 3.39Å; G684-L734 CarbonylContact C-O 3.57Å; G684-L734 VanDerWaalsContact CA-O 3.29Å; G684-L734 WeakPolarHBondContact CA-O 3.04Å
685	Q	86	Confident	88.1	Confident	127 Å²	127	85.6 Å²	85.6	59%	0.593	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.9	161.1	-178.8	179	-0.4	0	0	108.6	S733 L734 T736	Q685-S733 PolarHBondContact N-OG 3.35Å; Q685-S733 WeakPolarHBondContact O-CA 3.41Å; Q685-S733 PolarHBondContact O-OG 3.32Å; Q685-L734 PolarHBondContact N-O 2.87Å; Q685-L734 PolarHBondContact O-N 2.96Å; Q685-T736 HydrophobicContact CB-CG2 3.71Å
686	R	89	Confident	87.9	Confident	167 Å²	167	87 Å²	87	63%	0.63	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.9	176.3	-75.9	-171.2	169.9	-179.4	0.9	112.2	E716 V732	R686-E716 IonicContact CZ-OE2 2.58Å; R686-E716 VanDerWaalsContact CZ-OE2 3.23Å; R686-E716 IonicContact NE-OE2 3.23Å; R686-E716 PolarHBondContact NE-OE2 3.22Å; R686-E716 IonicContact NH2-OE1 2.67Å; R686-E716 PolarHBondContact NH2-OE1 3.38Å; R686-E716 VanDerWaalsContact NH2-OE1 3.11Å; R686-E716 IonicContact NH2-OE2 2.62Å; R686-E716 PolarHBondContact NH2-OE2 3.47Å; R686-V732 WeakPolarHBondContact CA-O 3.35Å; R686-V732 HydrophobicContact CG-CG1 4.48Å
687	L	87.3	Confident	87.7	Confident	54 Å²	54	87.6 Å²	87.6	28%	0.283	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	147.4	173.6	-59.7	179.1	0	0	0	110.3	V689 Q691 L731 V732 L734	L687-V689 VanDerWaalsContact C-N 3.26Å; L687-V689 WeakPolarHBondContact CB-O 3.39Å; L687-V689 PolarHBondContact O-N 2.88Å; L687-Q691 HydrophobicContact CD1-CB 4.22Å; L687-L731 HydrophobicContact CD1-CD2 4.08Å; L687-L731 HydrophobicContact CD1-CG 3.97Å; L687-V732 PolarHBondContact N-O 3.01Å; L687-L734 HydrophobicContact CD2-CD1 4.05Å; L687-L734 HydrophobicContact CD2-CG 4.35Å
688	I	88	Confident	87.7	Confident	179 Å²	179	90.4 Å²	90.4	92%	0.918	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	-32.2	176.6	-58.8	174	0	0	0	110.8
689	V	87.9	Confident	87.8	Confident	107 Å²	107	87.2 Å²	87.2	65%	0.648	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.5	175.4	-177.4	0	0	0	0	108.1	L687 Q691	L687-V689 VanDerWaalsContact C-N 3.26Å; L687-V689 WeakPolarHBondContact CB-O 3.39Å; L687-V689 PolarHBondContact O-N 2.88Å; V689-Q691 PolarHBondContact O-N 3.41Å
690	P	90.2	Very high	88	Confident	65 Å²	65	80.8 Å²	80.8	42%	0.422	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	129.7	174.8	-24.3	34.9	0	0	0	112.3	K730 L731 V732	P690-K730 HydrophobicContact CB-CB 4.28Å; P690-L731 CarbonylContact C-O 3.55Å; P690-L731 WeakPolarHBondContact CA-O 3.27Å; P690-V732 HydrophobicContact CB-CG2 4.29Å; P690-V732 HydrophobicContact CG-CG2 4.43Å
691	Q	88.6	Confident	88	Confident	94 Å²	94	83 Å²	83	44%	0.439	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.9	-175.6	-179.5	177.6	-1.7	0	0	110.7	L687 V689 L693 K730 L731	L687-Q691 HydrophobicContact CD1-CB 4.22Å; V689-Q691 PolarHBondContact O-N 3.41Å; Q691-L693 PolarHBondContact O-N 2.88Å; Q691-K730 CarbonylContact O-C 3.59Å; Q691-K730 WeakPolarHBondContact O-CA 3.45Å; Q691-L731 HydrophobicContact CB-CB 4.38Å; Q691-L731 PolarHBondContact N-O 3.49Å; Q691-L731 PolarHBondContact O-N 2.91Å
692	K	87	Confident	88.1	Confident	96 Å²	96	79 Å²	79	42%	0.417	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	136.1	169.9	-74.7	-168.3	177	-172	0	110.3	E727 K730	K692-E727 IonicContact NZ-OE1 3.34Å; K692-E727 PolarHBondContact NZ-OE1 3.46Å; K692-E727 IonicContact NZ-OE2 3.8Å; K692-E727 PolarHBondContact NZ-OE2 2.89Å; K692-K730 HydrophobicContact CG-CG 4.31Å
693	L	86.8	Confident	88.3	Confident	13 Å²	13	78.3 Å²	78.3	7%	0.068	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-101.3	125.1	171.5	-63.9	179.8	0	0	0	110.1	Q691 L695 L703 F717 V729 L731 I747	Q691-L693 PolarHBondContact O-N 2.88Å; L693-L695 VanDerWaalsContact C-N 3.34Å; L693-L695 HydrophobicContact CB-CD1 4.32Å; L693-L695 HydrophobicContact CB-CG 4.04Å; L693-L695 PolarHBondContact O-N 3.17Å; L693-L695 VanDerWaalsContact O-N 3.1Å; L693-L703 HydrophobicContact CD1-CD1 4.48Å; L693-F717 HydrophobicContact CD1-CD1 4.15Å; L693-F717 HydrophobicContact CD1-CE1 3.77Å; L693-V729 HydrophobicContact CD1-CG1 4.1Å; L693-V729 PolarHBondContact N-O 3.42Å; L693-L731 HydrophobicContact CD1-CB 4.22Å; L693-L731 HydrophobicContact CD2-CB 4.05Å; L693-L731 HydrophobicContact CD2-CD2 4.3Å; L693-L731 HydrophobicContact CG-CB 4.07Å; L693-I747 HydrophobicContact CD1-CD1 4.11Å; L693-I747 HydrophobicContact CD2-CD1 4.39Å
694	H	83.8	Confident	88.5	Confident	168 Å²	168	72.4 Å²	72.4	78%	0.778	39%	0.386	S	S	*	.			trans	-85.8	75	177.6	-65	-61.8	0	0	0	110.8
695	L	87.2	Confident	88.7	Confident	16 Å²	16	77 Å²	77	8%	0.084	40%	0.398	C	S	.	.			trans	-93.3	152.5	-179.6	-63.8	-179.9	0	0	0	111.8	L693 E700 L703 M726 I751	L693-L695 VanDerWaalsContact C-N 3.34Å; L693-L695 HydrophobicContact CB-CD1 4.32Å; L693-L695 HydrophobicContact CB-CG 4.04Å; L693-L695 PolarHBondContact O-N 3.17Å; L693-L695 VanDerWaalsContact O-N 3.1Å; L695-E700 HydrophobicContact CB-CB 4.32Å; L695-L703 HydrophobicContact CD1-CD1 3.68Å; L695-M726 WeakPolarHBondContact O-CB 3.44Å; L695-M726 WeakPolarHBondContact O-CE 3.5Å; L695-M726 WeakPolarHBondContact O-CG 3.47Å; L695-I751 HydrophobicContact CD1-CD1 4.08Å; L695-I751 HydrophobicContact CD2-CD1 3.81Å
696	T	89.6	Confident	89	Confident	76 Å²	76	71.6 Å²	71.6	47%	0.466	37%	0.373	S	S	.	.			trans	-72.2	157	165.5	79.8	0	0	0	0	109.9	V698 S699 E700	T696-V698 PolarHBondContact O-N 3.11Å; T696-V698 VanDerWaalsContact O-N 3.14Å; T696-S699 CarbonylContact O-C 3.58Å; T696-S699 WeakPolarHBondContact O-CA 3.42Å; T696-S699 WeakPolarHBondContact O-CB 3.29Å; T696-S699 PolarHBondContact O-N 3.25Å; T696-S699 WeakPolarHBondContact OG1-CB 3.43Å; T696-S699 PolarHBondContact OG1-N 2.87Å; T696-S699 PolarHBondContact OG1-OG 3.31Å; T696-E700 WeakPolarHBondContact O-CB 3.47Å; T696-E700 PolarHBondContact O-N 3.23Å
697	A	86.6	Confident	89.1	Confident	46 Å²	46	65.1 Å²	65.1	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-32.5	178.2	0	0	0	0	0	113.7	N701 V725 M726	A697-N701 WeakPolarHBondContact O-CB 3.44Å; A697-N701 PolarHBondContact O-N 2.69Å; A697-N701 VanDerWaalsContact O-N 3.13Å; A697-V725 HydrophobicContact CB-CG1 3.68Å; A697-M726 HydrophobicContact CB-CG 4.3Å
698	V	89.1	Confident	89.3	Confident	103 Å²	103	68.4 Å²	68.4	62%	0.624	37%	0.365	S	S	*	.	H	α-helix	trans	-71	-44.9	174.6	-177.6	0	0	0	0	110.7	T696 E700 N701 V702	T696-V698 PolarHBondContact O-N 3.11Å; T696-V698 VanDerWaalsContact O-N 3.14Å; V698-E700 VanDerWaalsContact C-N 3.35Å; V698-E700 PolarHBondContact O-N 2.98Å; V698-N701 PolarHBondContact O-N 2.92Å; V698-V702 WeakPolarHBondContact O-CG2 3.49Å; V698-V702 PolarHBondContact O-N 3.31Å
699	S	91.1	Very high	89.5	Confident	29 Å²	29	60.4 Å²	60.4	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-38.2	177.7	-52.5	0	0	0	0	112.6	T696 L703	T696-S699 CarbonylContact O-C 3.58Å; T696-S699 WeakPolarHBondContact O-CA 3.42Å; T696-S699 WeakPolarHBondContact O-CB 3.29Å; T696-S699 PolarHBondContact O-N 3.25Å; T696-S699 WeakPolarHBondContact OG1-CB 3.43Å; T696-S699 PolarHBondContact OG1-N 2.87Å; T696-S699 PolarHBondContact OG1-OG 3.31Å; S699-L703 WeakPolarHBondContact O-CB 3.49Å; S699-L703 PolarHBondContact O-N 3.47Å; S699-L703 VanDerWaalsContact O-N 3.13Å
700	E	91	Very high	89.7	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-48.2	173.6	-175.8	172.2	77.3	0	0	110.4	L695 T696 V698 L703 L704 V725 M726 E727 R728 V729	L695-E700 HydrophobicContact CB-CB 4.32Å; T696-E700 WeakPolarHBondContact O-CB 3.47Å; T696-E700 PolarHBondContact O-N 3.23Å; V698-E700 VanDerWaalsContact C-N 3.35Å; V698-E700 PolarHBondContact O-N 2.98Å; E700-L703 PolarHBondContact O-N 3Å; E700-L704 HydrophobicContact CG-CD1 4.14Å; E700-L704 VanDerWaalsContact O-CG 3.29Å; E700-L704 WeakPolarHBondContact O-CG 3.3Å; E700-L704 PolarHBondContact O-N 2.89Å; E700-V725 WeakPolarHBondContact OE1-CG1 3.3Å; E700-M726 VanDerWaalsContact CD-N 3.33Å; E700-M726 PolarHBondContact OE1-N 2.89Å; E700-M726 VanDerWaalsContact OE2-CA 3.3Å; E700-M726 WeakPolarHBondContact OE2-CA 3.37Å; E700-M726 PolarHBondContact OE2-N 3.48Å; E700-M726 VanDerWaalsContact OE2-N 3.13Å; E700-E727 PolarHBondContact OE2-N 2.83Å; E700-R728 WeakPolarHBondContact OE2-CB 3.33Å; E700-R728 PolarHBondContact OE2-N 3Å; E700-V729 HydrophobicContact CG-CG2 4.01Å
701	N	90.4	Very high	89.7	Confident	79 Å²	79	57.1 Å²	57.1	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-45.9	178.2	-166.8	83	0	0	0	112.8	A697 V698 L703 L704 E705	A697-N701 WeakPolarHBondContact O-CB 3.44Å; A697-N701 PolarHBondContact O-N 2.69Å; A697-N701 VanDerWaalsContact O-N 3.13Å; V698-N701 PolarHBondContact O-N 2.92Å; N701-L703 VanDerWaalsContact C-N 3.26Å; N701-L703 PolarHBondContact O-N 3.47Å; N701-L704 PolarHBondContact O-N 3.01Å; N701-L704 VanDerWaalsContact O-N 3.16Å; N701-E705 PolarHBondContact ND2-OE1 3.44Å; N701-E705 PolarHBondContact ND2-OE2 3.29Å; N701-E705 WeakPolarHBondContact O-CG 3.48Å; N701-E705 PolarHBondContact O-N 2.92Å
702	V	91.2	Very high	89.7	Confident	16 Å²	16	56.2 Å²	56.2	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-36	176.9	170.5	0	0	0	0	111.8	V698 N706 I751 L754	V698-V702 WeakPolarHBondContact O-CG2 3.49Å; V698-V702 PolarHBondContact O-N 3.31Å; V702-N706 WeakPolarHBondContact O-CB 3.49Å; V702-N706 PolarHBondContact O-N 2.8Å; V702-N706 PolarHBondContact O-ND2 3.17Å; V702-I751 HydrophobicContact CB-CG2 4.33Å; V702-I751 HydrophobicContact CG1-CG2 4.17Å; V702-L754 HydrophobicContact CG1-CB 3.79Å
703	L	91.5	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-48.2	173.9	-176.8	161.4	0	0	0	111.3	L693 L695 S699 E700 N701 E705 N706 V707 F710 F717 V729 I747 I751	L693-L703 HydrophobicContact CD1-CD1 4.48Å; L695-L703 HydrophobicContact CD1-CD1 3.68Å; S699-L703 WeakPolarHBondContact O-CB 3.49Å; S699-L703 PolarHBondContact O-N 3.47Å; S699-L703 VanDerWaalsContact O-N 3.13Å; E700-L703 PolarHBondContact O-N 3Å; N701-L703 VanDerWaalsContact C-N 3.26Å; N701-L703 PolarHBondContact O-N 3.47Å; L703-E705 VanDerWaalsContact C-N 3.34Å; L703-E705 PolarHBondContact O-N 3.19Å; L703-N706 CarbonylContact O-C 3.34Å; L703-N706 PolarHBondContact O-N 3.29Å; L703-N706 VanDerWaalsContact O-N 3.14Å; L703-V707 HydrophobicContact CD2-CG2 4.39Å; L703-V707 WeakPolarHBondContact O-CG2 3.36Å; L703-V707 PolarHBondContact O-N 3.42Å; L703-V707 VanDerWaalsContact O-N 3.12Å; L703-F710 HydrophobicContact CB-CE2 4.31Å; L703-F710 HydrophobicContact CB-CZ 4.43Å; L703-F710 HydrophobicContact CG-CD2 4.36Å; L703-F710 HydrophobicContact CG-CE2 4.16Å; L703-F710 HydrophobicContact CG-CZ 4.32Å; L703-F717 HydrophobicContact CD1-CE1 4.07Å; L703-F717 HydrophobicContact CD1-CE2 3.92Å; L703-F717 HydrophobicContact CD1-CZ 3.7Å; L703-F717 HydrophobicContact CD2-CD2 3.75Å; L703-F717 HydrophobicContact CD2-CE2 3.75Å; L703-F717 HydrophobicContact CD2-CG 4.33Å; L703-F717 HydrophobicContact CD2-CZ 4.35Å; L703-F717 HydrophobicContact CG-CD2 4.4Å; L703-F717 HydrophobicContact CG-CE2 3.88Å; L703-F717 HydrophobicContact CG-CZ 4.17Å; L703-V729 HydrophobicContact CD1-CG1 4.05Å; L703-V729 HydrophobicContact CD2-CG1 3.94Å; L703-V729 HydrophobicContact CD2-CG2 4.18Å; L703-I747 HydrophobicContact CD1-CG2 4.2Å; L703-I751 HydrophobicContact CB-CD1 4.4Å; L703-I751 HydrophobicContact CD1-CD1 4.38Å
704	L	90.1	Very high	90	Very high	44 Å²	44	51.2 Å²	51.2	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-38.1	-179.9	-68.8	172	0	0	0	112.7	E700 N701 N706 V707 I719 V729	E700-L704 HydrophobicContact CG-CD1 4.14Å; E700-L704 VanDerWaalsContact O-CG 3.29Å; E700-L704 WeakPolarHBondContact O-CG 3.3Å; E700-L704 PolarHBondContact O-N 2.89Å; N701-L704 PolarHBondContact O-N 3.01Å; N701-L704 VanDerWaalsContact O-N 3.16Å; L704-N706 VanDerWaalsContact C-N 3.28Å; L704-N706 PolarHBondContact O-N 3.06Å; L704-V707 WeakPolarHBondContact O-CG2 3.31Å; L704-I719 HydrophobicContact CD2-CB 4.43Å; L704-I719 HydrophobicContact CD2-CD1 3.59Å; L704-I719 HydrophobicContact CD2-CG1 3.8Å; L704-I719 HydrophobicContact CD2-CG2 3.72Å; L704-V729 HydrophobicContact CD2-CG2 4.26Å
705	E	90.9	Very high	90.4	Very high	133 Å²	133	43.2 Å²	43.2	62%	0.621	23%	0.233	S	C	*	.	H	α-helix	trans	-70.7	-19.5	176.4	-73.1	174.5	172.4	0	0	113.7	N701 L703	N701-E705 PolarHBondContact ND2-OE1 3.44Å; N701-E705 PolarHBondContact ND2-OE2 3.29Å; N701-E705 WeakPolarHBondContact O-CG 3.48Å; N701-E705 PolarHBondContact O-N 2.92Å; L703-E705 VanDerWaalsContact C-N 3.34Å; L703-E705 PolarHBondContact O-N 3.19Å
706	N	92.3	Very high	90.6	Very high	14 Å²	14	45.8 Å²	45.8	8%	0.075	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	21.1	-170.2	-64.8	-92.9	0	0	0	113.7	V702 L703 L704 E708 I709 F710 L754 G759	V702-N706 WeakPolarHBondContact O-CB 3.49Å; V702-N706 PolarHBondContact O-N 2.8Å; V702-N706 PolarHBondContact O-ND2 3.17Å; L703-N706 CarbonylContact O-C 3.34Å; L703-N706 PolarHBondContact O-N 3.29Å; L703-N706 VanDerWaalsContact O-N 3.14Å; L704-N706 VanDerWaalsContact C-N 3.28Å; L704-N706 PolarHBondContact O-N 3.06Å; N706-E708 PolarHBondContact O-N 3.21Å; N706-I709 HydrophobicContact CB-CD1 4.33Å; N706-I709 WeakPolarHBondContact O-CB 3.24Å; N706-I709 PolarHBondContact O-N 3.48Å; N706-F710 HydrophobicContact CB-CE2 4.24Å; N706-F710 WeakPolarHBondContact O-CD2 3.39Å; N706-L754 HydrophobicContact CB-CD1 3.73Å; N706-L754 HydrophobicContact CB-CD2 4.47Å; N706-G759 PolarHBondContact OD1-N 3.25Å
707	V	91	Very high	90.8	Very high	30 Å²	30	43.6 Å²	43.6	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-48.7	-39.4	-173.7	174.7	0	0	0	0	113.5	L703 L704 I709 F710 Q711 I719	L703-V707 HydrophobicContact CD2-CG2 4.39Å; L703-V707 WeakPolarHBondContact O-CG2 3.36Å; L703-V707 PolarHBondContact O-N 3.42Å; L703-V707 VanDerWaalsContact O-N 3.12Å; L704-V707 WeakPolarHBondContact O-CG2 3.31Å; V707-I709 VanDerWaalsContact C-N 3.25Å; V707-I709 PolarHBondContact O-N 3Å; V707-F710 PolarHBondContact O-N 2.93Å; V707-F710 VanDerWaalsContact O-N 3.16Å; V707-Q711 HydrophobicContact CG1-CG 4.17Å; V707-Q711 WeakPolarHBondContact O-CG 3.32Å; V707-Q711 PolarHBondContact O-N 2.68Å; V707-I719 HydrophobicContact CG2-CD1 4.14Å
708	E	90.6	Very high	91	Very high	123 Å²	123	45.4 Å²	45.4	58%	0.575	23%	0.231	S	C	*	.	H	α-helix	trans	-56.3	-35.9	176.4	-72.8	-166.3	-157.3	0	0	113.8	N706 Q711 K712	N706-E708 PolarHBondContact O-N 3.21Å; E708-Q711 PolarHBondContact O-N 3.4Å; E708-K712 WeakPolarHBondContact O-CB 3.43Å; E708-K712 WeakPolarHBondContact O-CD 3.05Å; E708-K712 WeakPolarHBondContact O-CG 3.42Å; E708-K712 PolarHBondContact O-N 2.97Å; E708-K712 IonicContact OE2-NZ 3.67Å; E708-K712 PolarHBondContact OE2-NZ 3.05Å
709	I	91.6	Very high	91.1	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-72	-36.9	-178.3	-60.9	178.4	0	0	0	109.6	N706 V707 N713 L750 L754 M761	N706-I709 HydrophobicContact CB-CD1 4.33Å; N706-I709 WeakPolarHBondContact O-CB 3.24Å; N706-I709 PolarHBondContact O-N 3.48Å; V707-I709 VanDerWaalsContact C-N 3.25Å; V707-I709 PolarHBondContact O-N 3Å; I709-N713 WeakPolarHBondContact O-CB 3.44Å; I709-N713 PolarHBondContact O-N 3.04Å; I709-N713 VanDerWaalsContact O-N 3.11Å; I709-N713 PolarHBondContact O-ND2 3.29Å; I709-L750 HydrophobicContact CG2-CD2 4.47Å; I709-L754 HydrophobicContact CD1-CD2 3.65Å; I709-L754 HydrophobicContact CG2-CD1 4.42Å; I709-L754 HydrophobicContact CG2-CD2 4.49Å; I709-M761 HydrophobicContact CB-SD 4.34Å; I709-M761 HydrophobicContact CG1-SD 4.08Å; I709-M761 HydrophobicContact CG2-CE 4.22Å; I709-M761 HydrophobicContact CG2-SD 3.98Å
710	F	92.3	Very high	91	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-43.3	172.3	-67.3	-88.2	0	0	0	111.7	L703 N706 V707 N713 G714 F715 F717 I747 L750 I751 L754	L703-F710 HydrophobicContact CB-CE2 4.31Å; L703-F710 HydrophobicContact CB-CZ 4.43Å; L703-F710 HydrophobicContact CG-CD2 4.36Å; L703-F710 HydrophobicContact CG-CE2 4.16Å; L703-F710 HydrophobicContact CG-CZ 4.32Å; N706-F710 HydrophobicContact CB-CE2 4.24Å; N706-F710 WeakPolarHBondContact O-CD2 3.39Å; V707-F710 PolarHBondContact O-N 2.93Å; V707-F710 VanDerWaalsContact O-N 3.16Å; F710-N713 CarbonylContact O-C 3.48Å; F710-N713 WeakPolarHBondContact O-CA 3.34Å; F710-N713 WeakPolarHBondContact O-CB 3.3Å; F710-N713 PolarHBondContact O-N 3.41Å; F710-G714 PolarHBondContact O-N 2.87Å; F710-F715 CarbonylContact C-O 3.47Å; F710-F715 HydrophobicContact CB-CB 4.21Å; F710-F715 PolarHBondContact O-N 2.98Å; F710-F717 HydrophobicContact CB-CE2 3.51Å; F710-F717 HydrophobicContact CB-CZ 4.05Å; F710-F717 HydrophobicContact CD1-CE2 4.09Å; F710-F717 AromaticContact CD1-CZ 3.93Å; F710-F717 HydrophobicContact CD1-CZ 3.93Å; F710-F717 HydrophobicContact CD2-CE2 4.37Å; F710-F717 AromaticContact CG-CE2 3.74Å; F710-F717 HydrophobicContact CG-CE2 3.74Å; F710-F717 HydrophobicContact CG-CZ 4.08Å; F710-I747 HydrophobicContact CD1-CG2 4.19Å; F710-I747 HydrophobicContact CE1-CG2 3.74Å; F710-L750 HydrophobicContact CD1-CB 4.17Å; F710-L750 HydrophobicContact CD1-CD1 3.7Å; F710-L750 HydrophobicContact CE1-CB 3.41Å; F710-L750 VanDerWaalsContact CE1-CB 3.41Å; F710-L750 HydrophobicContact CE1-CD1 3.84Å; F710-L750 HydrophobicContact CE1-CG 4.23Å; F710-L750 HydrophobicContact CZ-CB 3.82Å; F710-I751 HydrophobicContact CE1-CG1 4.2Å; F710-I751 HydrophobicContact CZ-CG1 3.72Å; F710-L754 HydrophobicContact CE2-CD1 3.64Å; F710-L754 HydrophobicContact CZ-CD1 3.87Å
711	Q	90.5	Very high	90.7	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-45.5	174.4	-71.5	177.2	-5.6	0	0	112.3	V707 E708 N713 G714 F715	V707-Q711 HydrophobicContact CG1-CG 4.17Å; V707-Q711 WeakPolarHBondContact O-CG 3.32Å; V707-Q711 PolarHBondContact O-N 2.68Å; E708-Q711 PolarHBondContact O-N 3.4Å; Q711-N713 PolarHBondContact O-N 3.45Å; Q711-G714 PolarHBondContact O-N 3.05Å; Q711-F715 WeakPolarHBondContact CA-O 3.29Å; Q711-F715 PolarHBondContact N-O 2.66Å
712	K	89.8	Confident	90.4	Very high	76 Å²	76	55.3 Å²	55.3	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-22.3	173.4	-71.8	162.1	-167.8	161.2	0	112.5	L682 E708 M761 R763	L682-K712 PolarHBondContact N-O 3.45Å; E708-K712 WeakPolarHBondContact O-CB 3.43Å; E708-K712 WeakPolarHBondContact O-CD 3.05Å; E708-K712 WeakPolarHBondContact O-CG 3.42Å; E708-K712 PolarHBondContact O-N 2.97Å; E708-K712 IonicContact OE2-NZ 3.67Å; E708-K712 PolarHBondContact OE2-NZ 3.05Å; K712-M761 HydrophobicContact CB-CE 3.52Å; K712-M761 HydrophobicContact CB-SD 4.26Å; K712-M761 HydrophobicContact CD-CE 4.22Å; K712-M761 HydrophobicContact CD-SD 3.83Å; K712-M761 HydrophobicContact CG-CE 4.46Å; K712-R763 PolarHBondContact O-NH1 2.87Å
713	N	90.3	Very high	89.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.2	170.9	-80.3	-67.9	0	0	0	114.4	L682 I709 F710 Q711 F715 P735 L750 C762 R763 P764	L682-N713 WeakPolarHBondContact CB-O 3.39Å; L682-N713 WeakPolarHBondContact CD1-O 3.29Å; I709-N713 WeakPolarHBondContact O-CB 3.44Å; I709-N713 PolarHBondContact O-N 3.04Å; I709-N713 VanDerWaalsContact O-N 3.11Å; I709-N713 PolarHBondContact O-ND2 3.29Å; F710-N713 CarbonylContact O-C 3.48Å; F710-N713 WeakPolarHBondContact O-CA 3.34Å; F710-N713 WeakPolarHBondContact O-CB 3.3Å; F710-N713 PolarHBondContact O-N 3.41Å; Q711-N713 PolarHBondContact O-N 3.45Å; N713-F715 HydrophobicContact CB-CD2 4Å; N713-F715 HydrophobicContact CB-CE2 4.14Å; N713-P735 WeakPolarHBondContact O-CB 3.46Å; N713-P735 WeakPolarHBondContact O-CG 3.38Å; N713-L750 HydrophobicContact CB-CD1 4.12Å; N713-C762 PolarHBondContact ND2-O 3.41Å; N713-R763 WeakPolarHBondContact OD1-CD 3.38Å; N713-R763 PolarHBondContact OD1-NH1 2.97Å; N713-P764 WeakPolarHBondContact OD1-CD 3.32Å
714	G	89.4	Confident	89.5	Confident	4 Å²	4	63.7 Å²	63.7	4%	0.041	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	10.9	174.2	0	0	0	0	0	115.7	L682 G684 F710 Q711 L734 P735	L682-G714 VanDerWaalsContact O-CA 3.28Å; L682-G714 WeakPolarHBondContact O-CA 3.29Å; G684-G714 WeakPolarHBondContact CA-O 3.16Å; F710-G714 PolarHBondContact O-N 2.87Å; Q711-G714 PolarHBondContact O-N 3.05Å; G714-L734 CarbonylContact O-C 3.52Å; G714-P735 WeakPolarHBondContact O-CD 3.13Å
715	F	92.3	Very high	88.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.33	C	S	.	.			trans	-95.5	126.8	174.5	-59	-86.8	0	0	0	110.5	F710 Q711 N713 F717 L731 S733 L734 P735 F742 D746 I747 L750	F710-F715 CarbonylContact C-O 3.47Å; F710-F715 HydrophobicContact CB-CB 4.21Å; F710-F715 PolarHBondContact O-N 2.98Å; Q711-F715 WeakPolarHBondContact CA-O 3.29Å; Q711-F715 PolarHBondContact N-O 2.66Å; N713-F715 HydrophobicContact CB-CD2 4Å; N713-F715 HydrophobicContact CB-CE2 4.14Å; F715-F717 HydrophobicContact CB-CE1 4.41Å; F715-F717 HydrophobicContact CB-CE2 4.41Å; F715-F717 HydrophobicContact CB-CZ 3.95Å; F715-L731 HydrophobicContact CD1-CD1 4.22Å; F715-S733 WeakPolarHBondContact CA-O 3.28Å; F715-L734 HydrophobicContact CD1-CD2 3.95Å; F715-L734 HydrophobicContact CE1-CD2 3.75Å; F715-P735 VanDerWaalsContact CD1-CD 3.44Å; F715-P735 HydrophobicContact CD1-CG 3.97Å; F715-P735 HydrophobicContact CD2-CG 3.79Å; F715-P735 HydrophobicContact CE1-CG 3.75Å; F715-P735 HydrophobicContact CE2-CG 3.55Å; F715-P735 HydrophobicContact CG-CG 3.98Å; F715-P735 HydrophobicContact CZ-CG 3.52Å; F715-F742 HydrophobicContact CZ-CB 4.18Å; F715-D746 HydrophobicContact CZ-CB 3.79Å; F715-I747 HydrophobicContact CD1-CD1 3.75Å; F715-I747 HydrophobicContact CD1-CG1 3.61Å; F715-I747 HydrophobicContact CE1-CD1 3.88Å; F715-I747 HydrophobicContact CE1-CG1 3.39Å; F715-I747 HydrophobicContact CG-CG1 4.28Å; F715-I747 HydrophobicContact CZ-CG1 3.9Å; F715-L750 HydrophobicContact CD2-CD1 4.11Å; F715-L750 HydrophobicContact CE2-CD1 3.77Å
716	E	92.1	Very high	88.4	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.5	168.3	-62	-176.2	144.3	0	0	110	R686 V732 S733	R686-E716 IonicContact CZ-OE2 2.58Å; R686-E716 VanDerWaalsContact CZ-OE2 3.23Å; R686-E716 IonicContact NE-OE2 3.23Å; R686-E716 PolarHBondContact NE-OE2 3.22Å; R686-E716 IonicContact NH2-OE1 2.67Å; R686-E716 PolarHBondContact NH2-OE1 3.38Å; R686-E716 VanDerWaalsContact NH2-OE1 3.11Å; R686-E716 IonicContact NH2-OE2 2.62Å; R686-E716 PolarHBondContact NH2-OE2 3.47Å; E716-V732 HydrophobicContact CB-CB 4.24Å; E716-V732 PolarHBondContact O-N 2.9Å; E716-S733 PolarHBondContact N-O 3.16Å; E716-S733 PolarHBondContact O-N 3.06Å
717	F	92.8	Very high	87.9	Confident	30 Å²	30	67.3 Å²	67.3	13%	0.132	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.2	176.1	-51.2	-67.3	0	0	0	111.2	L693 L703 F710 F715 V729 K730 L731 I747	L693-F717 HydrophobicContact CD1-CD1 4.15Å; L693-F717 HydrophobicContact CD1-CE1 3.77Å; L703-F717 HydrophobicContact CD1-CE1 4.07Å; L703-F717 HydrophobicContact CD1-CE2 3.92Å; L703-F717 HydrophobicContact CD1-CZ 3.7Å; L703-F717 HydrophobicContact CD2-CD2 3.75Å; L703-F717 HydrophobicContact CD2-CE2 3.75Å; L703-F717 HydrophobicContact CD2-CG 4.33Å; L703-F717 HydrophobicContact CD2-CZ 4.35Å; L703-F717 HydrophobicContact CG-CD2 4.4Å; L703-F717 HydrophobicContact CG-CE2 3.88Å; L703-F717 HydrophobicContact CG-CZ 4.17Å; F710-F717 HydrophobicContact CB-CE2 3.51Å; F710-F717 HydrophobicContact CB-CZ 4.05Å; F710-F717 HydrophobicContact CD1-CE2 4.09Å; F710-F717 AromaticContact CD1-CZ 3.93Å; F710-F717 HydrophobicContact CD1-CZ 3.93Å; F710-F717 HydrophobicContact CD2-CE2 4.37Å; F710-F717 AromaticContact CG-CE2 3.74Å; F710-F717 HydrophobicContact CG-CE2 3.74Å; F710-F717 HydrophobicContact CG-CZ 4.08Å; F715-F717 HydrophobicContact CB-CE1 4.41Å; F715-F717 HydrophobicContact CB-CE2 4.41Å; F715-F717 HydrophobicContact CB-CZ 3.95Å; F717-V729 HydrophobicContact CB-CG1 4Å; F717-V729 HydrophobicContact CD1-CG1 3.76Å; F717-V729 HydrophobicContact CE1-CG1 4.44Å; F717-V729 HydrophobicContact CG-CG1 3.91Å; F717-K730 CarbonylContact C-O 3.51Å; F717-K730 WeakPolarHBondContact CA-O 3.44Å; F717-L731 HydrophobicContact CD1-CD1 4.11Å; F717-L731 HydrophobicContact CE1-CD1 3.82Å; F717-I747 HydrophobicContact CE1-CD1 4.17Å; F717-I747 HydrophobicContact CZ-CG2 4.34Å
718	L	91.4	Very high	87.6	Confident	83 Å²	83	68.2 Å²	68.2	44%	0.435	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.4	158.8	-175.2	152.5	0	0	0	107	K730 V732	L718-K730 HydrophobicContact CB-CB 4.48Å; L718-K730 HydrophobicContact CD2-CD 4.2Å; L718-K730 PolarHBondContact N-O 2.93Å; L718-K730 PolarHBondContact O-N 3.1Å; L718-V732 HydrophobicContact CB-CG2 3.68Å
719	I	91.2	Very high	87.6	Confident	66 Å²	66	62.5 Å²	62.5	34%	0.338	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.3	179.3	-62.4	161.7	0	0	0	107.6	L704 V707 E721 R728	L704-I719 HydrophobicContact CD2-CB 4.43Å; L704-I719 HydrophobicContact CD2-CD1 3.59Å; L704-I719 HydrophobicContact CD2-CG1 3.8Å; L704-I719 HydrophobicContact CD2-CG2 3.72Å; V707-I719 HydrophobicContact CG2-CD1 4.14Å; I719-E721 HydrophobicContact CG2-CG 4.37Å; I719-R728 CarbonylContact C-O 3.49Å; I719-R728 WeakPolarHBondContact CA-O 2.86Å
720	D	88.4	Confident	87.6	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.241	32%	0.318	C	S	.	.			trans	-117.5	108	-176.7	-164.3	-24	0	0	0	107.5	A723 R728 K730	D720-A723 HydrophobicContact CB-CB 3.84Å; D720-R728 PolarHBondContact N-O 3.35Å; D720-R728 VanDerWaalsContact O-CB 3.31Å; D720-R728 WeakPolarHBondContact O-CB 3.31Å; D720-R728 WeakPolarHBondContact O-CG 3.21Å; D720-R728 PolarHBondContact O-NE 2.83Å; D720-K730 IonicContact OD2-NZ 2.72Å; D720-K730 PolarHBondContact OD2-NZ 3.08Å
721	E	84.4	Confident	87.5	Confident	148 Å²	148	64.1 Å²	64.1	69%	0.692	32%	0.318	S	S	*	.	S	Bend	trans	-83.6	-26.1	-171.7	-57.7	-143.5	110.8	0	0	113.4	I719 A723 R728	I719-E721 HydrophobicContact CG2-CG 4.37Å; E721-A723 VanDerWaalsContact C-N 3.32Å; E721-R728 IonicContact OE1-NH2 3.1Å; E721-R728 PolarHBondContact OE1-NH2 3.35Å
722	D	83.9	Confident	87.6	Confident	165 Å²	165	60.5 Å²	60.5	88%	0.882	30%	0.303	S	S	*	.	S	Bend	trans	-82.5	-11.3	176	-61.6	-56.4	0	0	0	112.6
723	A	81.6	Confident	87.6	Confident	27 Å²	27	57 Å²	57	22%	0.223	29%	0.288	C	S	.	.	S	Bend	trans	-73.3	151.4	177.9	0	0	0	0	0	113	D720 E721 R728	D720-A723 HydrophobicContact CB-CB 3.84Å; E721-A723 VanDerWaalsContact C-N 3.32Å; A723-R728 HydrophobicContact CB-CG 4.24Å; A723-R728 WeakPolarHBondContact O-CG 3.35Å
724	Q	82.2	Confident	87.5	Confident	166 Å²	166	58.4 Å²	58.4	78%	0.776	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-61.5	140.3	175.4	-173.4	171.7	-8.1	0	0	111.1	M726 E727	Q724-M726 PolarHBondContact O-N 2.81Å; Q724-E727 PolarHBondContact O-N 2.92Å
725	V	77.7	Confident	87.3	Confident	85 Å²	85	58.2 Å²	58.2	52%	0.515	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	136.7	173.5	-175.5	0	0	0	0	110.2	A697 E700	A697-V725 HydrophobicContact CB-CG1 3.68Å; E700-V725 WeakPolarHBondContact OE1-CG1 3.3Å
726	M	80.6	Confident	86.6	Confident	96 Å²	96	60.7 Å²	60.7	47%	0.473	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-3.2	-167.9	-53.3	173.8	48.8	0	0	116.3	L695 A697 E700 Q724	L695-M726 WeakPolarHBondContact O-CB 3.44Å; L695-M726 WeakPolarHBondContact O-CE 3.5Å; L695-M726 WeakPolarHBondContact O-CG 3.47Å; A697-M726 HydrophobicContact CB-CG 4.3Å; E700-M726 VanDerWaalsContact CD-N 3.33Å; E700-M726 PolarHBondContact OE1-N 2.89Å; E700-M726 VanDerWaalsContact OE2-CA 3.3Å; E700-M726 WeakPolarHBondContact OE2-CA 3.37Å; E700-M726 PolarHBondContact OE2-N 3.48Å; E700-M726 VanDerWaalsContact OE2-N 3.13Å; Q724-M726 PolarHBondContact O-N 2.81Å
727	E	81.7	Confident	85.5	Confident	86 Å²	86	58.5 Å²	58.5	40%	0.402	30%	0.301	S	S	.	.	S	Bend	trans	-120.8	6	169.8	-64.6	-147	153.6	0	0	114.2	K692 E700 Q724 V729	K692-E727 IonicContact NZ-OE1 3.34Å; K692-E727 PolarHBondContact NZ-OE1 3.46Å; K692-E727 IonicContact NZ-OE2 3.8Å; K692-E727 PolarHBondContact NZ-OE2 2.89Å; E700-E727 PolarHBondContact OE2-N 2.83Å; Q724-E727 PolarHBondContact O-N 2.92Å; E727-V729 VanDerWaalsContact C-N 3.3Å; E727-V729 PolarHBondContact O-N 3.45Å
728	R	85.7	Confident	84.4	Confident	49 Å²	49	68.9 Å²	68.9	19%	0.185	34%	0.339	C	S	.	.	S	Bend	trans	-72.7	-20.2	-171.2	-61.5	-177.7	63.4	-157.5	-0.8	113.8	E700 I719 D720 E721 A723	E700-R728 WeakPolarHBondContact OE2-CB 3.33Å; E700-R728 PolarHBondContact OE2-N 3Å; I719-R728 CarbonylContact C-O 3.49Å; I719-R728 WeakPolarHBondContact CA-O 2.86Å; D720-R728 PolarHBondContact N-O 3.35Å; D720-R728 VanDerWaalsContact O-CB 3.31Å; D720-R728 WeakPolarHBondContact O-CB 3.31Å; D720-R728 WeakPolarHBondContact O-CG 3.21Å; D720-R728 PolarHBondContact O-NE 2.83Å; E721-R728 IonicContact OE1-NH2 3.1Å; E721-R728 PolarHBondContact OE1-NH2 3.35Å; A723-R728 HydrophobicContact CB-CG 4.24Å; A723-R728 WeakPolarHBondContact O-CG 3.35Å
729	V	90.4	Very high	83.1	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.2	-171.6	-172.6	0	0	0	0	111.9	L693 E700 L703 L704 F717 E727	L693-V729 HydrophobicContact CD1-CG1 4.1Å; L693-V729 PolarHBondContact N-O 3.42Å; E700-V729 HydrophobicContact CG-CG2 4.01Å; L703-V729 HydrophobicContact CD1-CG1 4.05Å; L703-V729 HydrophobicContact CD2-CG1 3.94Å; L703-V729 HydrophobicContact CD2-CG2 4.18Å; L704-V729 HydrophobicContact CD2-CG2 4.26Å; F717-V729 HydrophobicContact CB-CG1 4Å; F717-V729 HydrophobicContact CD1-CG1 3.76Å; F717-V729 HydrophobicContact CE1-CG1 4.44Å; F717-V729 HydrophobicContact CG-CG1 3.91Å; E727-V729 VanDerWaalsContact C-N 3.3Å; E727-V729 PolarHBondContact O-N 3.45Å
730	K	90.8	Very high	82	Confident	46 Å²	46	72.8 Å²	72.8	20%	0.2	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.3	175.5	-61.1	162.2	-157.7	160.3	0	109	P690 Q691 K692 F717 L718 D720	P690-K730 HydrophobicContact CB-CB 4.28Å; Q691-K730 CarbonylContact O-C 3.59Å; Q691-K730 WeakPolarHBondContact O-CA 3.45Å; K692-K730 HydrophobicContact CG-CG 4.31Å; F717-K730 CarbonylContact C-O 3.51Å; F717-K730 WeakPolarHBondContact CA-O 3.44Å; L718-K730 HydrophobicContact CB-CB 4.48Å; L718-K730 HydrophobicContact CD2-CD 4.2Å; L718-K730 PolarHBondContact N-O 2.93Å; L718-K730 PolarHBondContact O-N 3.1Å; D720-K730 IonicContact OD2-NZ 2.72Å; D720-K730 PolarHBondContact OD2-NZ 3.08Å
731	L	91.3	Very high	81.3	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.6	176.9	177.4	68.1	0	0	0	110.7	L687 P690 Q691 L693 F715 F717 S733 L734 I747	L687-L731 HydrophobicContact CD1-CD2 4.08Å; L687-L731 HydrophobicContact CD1-CG 3.97Å; P690-L731 CarbonylContact C-O 3.55Å; P690-L731 WeakPolarHBondContact CA-O 3.27Å; Q691-L731 HydrophobicContact CB-CB 4.38Å; Q691-L731 PolarHBondContact N-O 3.49Å; Q691-L731 PolarHBondContact O-N 2.91Å; L693-L731 HydrophobicContact CD1-CB 4.22Å; L693-L731 HydrophobicContact CD2-CB 4.05Å; L693-L731 HydrophobicContact CD2-CD2 4.3Å; L693-L731 HydrophobicContact CG-CB 4.07Å; F715-L731 HydrophobicContact CD1-CD1 4.22Å; F717-L731 HydrophobicContact CD1-CD1 4.11Å; F717-L731 HydrophobicContact CE1-CD1 3.82Å; L731-S733 WeakPolarHBondContact CD1-O 3.5Å; L731-L734 HydrophobicContact CD1-CD2 4.2Å; L731-L734 HydrophobicContact CD2-CD1 4.49Å; L731-L734 HydrophobicContact CD2-CD2 3.67Å; L731-L734 HydrophobicContact CD2-CG 3.99Å; L731-L734 HydrophobicContact CG-CD2 4.41Å; L731-I747 HydrophobicContact CD1-CD1 3.98Å; L731-I747 HydrophobicContact CD2-CD1 4.29Å
732	V	90.9	Very high	81.1	Confident	27 Å²	27	68.8 Å²	68.8	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-33.1	-177.8	175.9	0	0	0	0	112	R686 L687 P690 E716 L718	R686-V732 WeakPolarHBondContact CA-O 3.35Å; R686-V732 HydrophobicContact CG-CG1 4.48Å; L687-V732 PolarHBondContact N-O 3.01Å; P690-V732 HydrophobicContact CB-CG2 4.29Å; P690-V732 HydrophobicContact CG-CG2 4.43Å; E716-V732 HydrophobicContact CB-CB 4.24Å; E716-V732 PolarHBondContact O-N 2.9Å; L718-V732 HydrophobicContact CB-CG2 3.68Å
733	S	89.9	Confident	80.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.3	-178.5	-173.2	0	0	0	0	111.7	G684 Q685 F715 E716 L731	G684-S733 WeakPolarHBondContact CA-OG 3.39Å; Q685-S733 PolarHBondContact N-OG 3.35Å; Q685-S733 WeakPolarHBondContact O-CA 3.41Å; Q685-S733 PolarHBondContact O-OG 3.32Å; F715-S733 WeakPolarHBondContact CA-O 3.28Å; E716-S733 PolarHBondContact N-O 3.16Å; E716-S733 PolarHBondContact O-N 3.06Å; L731-S733 WeakPolarHBondContact CD1-O 3.5Å
734	L	88.5	Confident	81	Confident	31 Å²	31	62.7 Å²	62.7	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.4	174.2	-79.3	175.4	0	0	0	110.9	G684 Q685 L687 G714 F715 L731 F742	G684-L734 CarbonylContact C-O 3.57Å; G684-L734 VanDerWaalsContact CA-O 3.29Å; G684-L734 WeakPolarHBondContact CA-O 3.04Å; Q685-L734 PolarHBondContact N-O 2.87Å; Q685-L734 PolarHBondContact O-N 2.96Å; L687-L734 HydrophobicContact CD2-CD1 4.05Å; L687-L734 HydrophobicContact CD2-CG 4.35Å; G714-L734 CarbonylContact O-C 3.52Å; F715-L734 HydrophobicContact CD1-CD2 3.95Å; F715-L734 HydrophobicContact CE1-CD2 3.75Å; L731-L734 HydrophobicContact CD1-CD2 4.2Å; L731-L734 HydrophobicContact CD2-CD1 4.49Å; L731-L734 HydrophobicContact CD2-CD2 3.67Å; L731-L734 HydrophobicContact CD2-CG 3.99Å; L731-L734 HydrophobicContact CG-CD2 4.41Å; L734-F742 WeakPolarHBondContact CD1-O 3.41Å; L734-F742 WeakPolarHBondContact CD2-O 3.46Å
735	P	85.5	Confident	81.2	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.9	173.9	-8.1	16.9	0	0	0	110.6	N713 G714 F715 F742	N713-P735 WeakPolarHBondContact O-CB 3.46Å; N713-P735 WeakPolarHBondContact O-CG 3.38Å; G714-P735 WeakPolarHBondContact O-CD 3.13Å; F715-P735 VanDerWaalsContact CD1-CD 3.44Å; F715-P735 HydrophobicContact CD1-CG 3.97Å; F715-P735 HydrophobicContact CD2-CG 3.79Å; F715-P735 HydrophobicContact CE1-CG 3.75Å; F715-P735 HydrophobicContact CE2-CG 3.55Å; F715-P735 HydrophobicContact CG-CG 3.98Å; F715-P735 HydrophobicContact CZ-CG 3.52Å; P735-F742 HydrophobicContact CB-CB 3.96Å; P735-F742 HydrophobicContact CB-CD2 3.77Å; P735-F742 HydrophobicContact CB-CG 4.02Å; P735-F742 HydrophobicContact CG-CB 3.73Å; P735-F742 HydrophobicContact CG-CD2 4.44Å; P735-F742 HydrophobicContact CG-CG 4.19Å; P735-F742 WeakPolarHBondContact O-CD2 3.46Å; P735-F742 PolarHBondContact O-N 2.81Å
736	T	77.7	Confident	81.7	Confident	52 Å²	52	54.3 Å²	54.3	32%	0.319	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.9	175.4	59.6	0	0	0	0	111.8	Q683 Q685 W740	Q683-T736 PolarHBondContact O-N 2.99Å; Q685-T736 HydrophobicContact CB-CG2 3.71Å; T736-W740 WeakPolarHBondContact CA-O 3.21Å
737	S	68.9	Low	82.2	Confident	24 Å²	24	49.9 Å²	49.9	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	87.8	176.8	166.8	0	0	0	0	111.4	N739 W740 M770 R774	S737-N739 PolarHBondContact O-N 2.66Å; S737-W740 PolarHBondContact N-O 3.2Å; S737-W740 PolarHBondContact O-N 3.05Å; S737-M770 PolarHBondContact OG-SD 3.24Å; S737-R774 PolarHBondContact OG-NH2 3.45Å
738	R	69.3	Low	82.6	Confident	248 Å²	248	51.6 Å²	51.6	94%	0.936	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-96.7	-176.9	-58.9	-175.3	-178.4	-171.4	-1	111.6	W740	R738-W740 VanDerWaalsContact C-N 3.35Å
739	N	64.7	Low	82.9	Confident	154 Å²	154	51.4 Å²	51.4	82%	0.824	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	0.6	-176.6	-51.4	41	0	0	0	113.2	S737	S737-N739 PolarHBondContact O-N 2.66Å
740	W	68.6	Low	82.9	Confident	77 Å²	77	51.3 Å²	51.3	29%	0.292	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.2	-178.1	-66	75.3	0	0	0	111.4	T736 S737 R738 F742 R766	T736-W740 WeakPolarHBondContact CA-O 3.21Å; S737-W740 PolarHBondContact N-O 3.2Å; S737-W740 PolarHBondContact O-N 3.05Å; R738-W740 VanDerWaalsContact C-N 3.35Å; W740-F742 HydrophobicContact CB-CD2 4.39Å; W740-F742 HydrophobicContact CB-CE2 3.65Å; W740-F742 HydrophobicContact CB-CZ 4.08Å; W740-F742 HydrophobicContact CE3-CE1 4.47Å; W740-F742 HydrophobicContact CE3-CZ 4.15Å; W740-R766 HydrophobicContact CE3-CB 4.11Å; W740-R766 HydrophobicContact CZ3-CB 3.7Å; W740-R766 HydrophobicContact CZ3-CG 4.03Å
741	T	72.1	Confident	82.9	Confident	102 Å²	102	49.5 Å²	49.5	63%	0.626	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.1	163.8	45.4	0	0	0	0	109.3	R766	T741-R766 VanDerWaalsContact O-CZ 3.28Å; T741-R766 PolarHBondContact O-NH1 2.9Å; T741-R766 PolarHBondContact O-NH2 2.83Å
742	F	80.7	Confident	82.9	Confident	6 Å²	6	56 Å²	56	3%	0.026	29%	0.287	C	S	.	.			trans	-90.6	155.4	175.4	-64	-94.9	0	0	0	109.6	F715 L734 P735 W740 D746 R766 V767	F715-F742 HydrophobicContact CZ-CB 4.18Å; L734-F742 WeakPolarHBondContact CD1-O 3.41Å; L734-F742 WeakPolarHBondContact CD2-O 3.46Å; P735-F742 HydrophobicContact CB-CB 3.96Å; P735-F742 HydrophobicContact CB-CD2 3.77Å; P735-F742 HydrophobicContact CB-CG 4.02Å; P735-F742 HydrophobicContact CG-CB 3.73Å; P735-F742 HydrophobicContact CG-CD2 4.44Å; P735-F742 HydrophobicContact CG-CG 4.19Å; P735-F742 WeakPolarHBondContact O-CD2 3.46Å; P735-F742 PolarHBondContact O-N 2.81Å; W740-F742 HydrophobicContact CB-CD2 4.39Å; W740-F742 HydrophobicContact CB-CE2 3.65Å; W740-F742 HydrophobicContact CB-CZ 4.08Å; W740-F742 HydrophobicContact CE3-CE1 4.47Å; W740-F742 HydrophobicContact CE3-CZ 4.15Å; F742-D746 WeakPolarHBondContact CA-OD2 3.46Å; F742-D746 HydrophobicContact CD1-CB 4.47Å; F742-R766 HydrophobicContact CD1-CB 4.2Å; F742-R766 HydrophobicContact CE1-CB 3.58Å; F742-V767 HydrophobicContact CD1-CG2 3.97Å; F742-V767 HydrophobicContact CE1-CB 4.35Å; F742-V767 HydrophobicContact CE1-CG2 3.35Å; F742-V767 HydrophobicContact CZ-CG2 3.79Å
743	G	81.2	Confident	82.7	Confident	14 Å²	14	56.4 Å²	56.4	14%	0.144	29%	0.288	C	S	.	.			trans	-149.9	-172	-170.9	0	0	0	0	0	114.6	A745 D746 I747	G743-A745 VanDerWaalsContact C-N 3.28Å; G743-A745 PolarHBondContact O-N 3.15Å; G743-D746 PolarHBondContact N-OD2 2.7Å; G743-D746 WeakPolarHBondContact O-CB 3.29Å; G743-D746 PolarHBondContact O-N 3.2Å; G743-I747 PolarHBondContact O-N 2.94Å
744	P	82.4	Confident	82.8	Confident	50 Å²	50	56.4 Å²	56.4	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-54.4	-37.4	-176.2	-29.1	36.7	0	0	0	114.7	D746 I747 E748	P744-D746 VanDerWaalsContact C-N 3.26Å; P744-D746 PolarHBondContact O-N 3Å; P744-I747 WeakPolarHBondContact O-CA 3.4Å; P744-I747 VanDerWaalsContact O-CB 3.28Å; P744-I747 WeakPolarHBondContact O-CB 3.21Å; P744-I747 PolarHBondContact O-N 3.22Å; P744-E748 PolarHBondContact O-N 2.71Å
745	A	86	Confident	82.7	Confident	69 Å²	69	57.9 Å²	57.9	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-27.7	175.9	0	0	0	0	0	114	G743 I747 E749	G743-A745 VanDerWaalsContact C-N 3.28Å; G743-A745 PolarHBondContact O-N 3.15Å; A745-I747 VanDerWaalsContact C-N 3.33Å; A745-E749 PolarHBondContact O-N 3.49Å
746	D	89.6	Confident	82.6	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-73.6	-27.2	173.2	-66.6	-82.8	0	0	0	111.7	F715 F742 G743 P744 L750 P764 R766	F715-D746 HydrophobicContact CZ-CB 3.79Å; F742-D746 WeakPolarHBondContact CA-OD2 3.46Å; F742-D746 HydrophobicContact CD1-CB 4.47Å; G743-D746 PolarHBondContact N-OD2 2.7Å; G743-D746 WeakPolarHBondContact O-CB 3.29Å; G743-D746 PolarHBondContact O-N 3.2Å; P744-D746 VanDerWaalsContact C-N 3.26Å; P744-D746 PolarHBondContact O-N 3Å; D746-L750 WeakPolarHBondContact O-CG 3.38Å; D746-L750 PolarHBondContact O-N 2.85Å; D746-P764 HydrophobicContact CB-CB 4.31Å; D746-P764 HydrophobicContact CB-CG 4.23Å; D746-R766 WeakPolarHBondContact OD1-CD 3.45Å; D746-R766 IonicContact OD1-NH1 3.07Å; D746-R766 IonicContact OD2-CZ 3.73Å; D746-R766 IonicContact OD2-NH1 3.09Å; D746-R766 PolarHBondContact OD2-NH1 3.03Å
747	I	89.9	Confident	82.9	Confident	3 Å²	3	64 Å²	64	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-73.5	-42.1	173.2	-52.9	174.6	0	0	0	109.3	L693 L703 F710 F715 F717 L731 G743 P744 A745 L750 I751	L693-I747 HydrophobicContact CD1-CD1 4.11Å; L693-I747 HydrophobicContact CD2-CD1 4.39Å; L703-I747 HydrophobicContact CD1-CG2 4.2Å; F710-I747 HydrophobicContact CD1-CG2 4.19Å; F710-I747 HydrophobicContact CE1-CG2 3.74Å; F715-I747 HydrophobicContact CD1-CD1 3.75Å; F715-I747 HydrophobicContact CD1-CG1 3.61Å; F715-I747 HydrophobicContact CE1-CD1 3.88Å; F715-I747 HydrophobicContact CE1-CG1 3.39Å; F715-I747 HydrophobicContact CG-CG1 4.28Å; F715-I747 HydrophobicContact CZ-CG1 3.9Å; F717-I747 HydrophobicContact CE1-CD1 4.17Å; F717-I747 HydrophobicContact CZ-CG2 4.34Å; L731-I747 HydrophobicContact CD1-CD1 3.98Å; L731-I747 HydrophobicContact CD2-CD1 4.29Å; G743-I747 PolarHBondContact O-N 2.94Å; P744-I747 WeakPolarHBondContact O-CA 3.4Å; P744-I747 VanDerWaalsContact O-CB 3.28Å; P744-I747 WeakPolarHBondContact O-CB 3.21Å; P744-I747 PolarHBondContact O-N 3.22Å; A745-I747 VanDerWaalsContact C-N 3.33Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.35Å; I747-I751 HydrophobicContact CG2-CD1 4.09Å; I747-I751 WeakPolarHBondContact O-CG1 3.47Å; I747-I751 PolarHBondContact O-N 2.79Å
748	E	89.8	Confident	83.5	Confident	122 Å²	122	67.3 Å²	67.3	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-61.2	-42.4	173.5	-68.9	169.2	-156	0	0	112.1	P744 L750 I751 F752	P744-E748 PolarHBondContact O-N 2.71Å; E748-L750 VanDerWaalsContact C-N 3.33Å; E748-L750 PolarHBondContact O-N 2.94Å; E748-I751 PolarHBondContact O-N 3.18Å; E748-F752 WeakPolarHBondContact O-CB 3.48Å; E748-F752 PolarHBondContact O-N 2.78Å
749	E	91.8	Very high	83.8	Confident	44 Å²	44	58.2 Å²	58.2	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-41.1	174	-159.3	-163.4	142.6	0	0	111.5	A745 F752 M753 S765 R768	A745-E749 PolarHBondContact O-N 3.49Å; E749-F752 PolarHBondContact O-N 2.96Å; E749-M753 HydrophobicContact CG-CE 4.04Å; E749-M753 WeakPolarHBondContact O-CE 2.99Å; E749-M753 WeakPolarHBondContact O-CG 3.19Å; E749-M753 PolarHBondContact O-N 2.83Å; E749-S765 WeakPolarHBondContact OE1-CB 3.17Å; E749-S765 PolarHBondContact OE1-N 2.99Å; E749-S765 WeakPolarHBondContact OE2-CB 3.37Å; E749-S765 PolarHBondContact OE2-N 2.88Å; E749-S765 PolarHBondContact OE2-OG 3.19Å; E749-R768 IonicContact OE1-NH2 2.67Å; E749-R768 PolarHBondContact OE1-NH2 2.92Å
750	L	90.8	Very high	84.8	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176.2	-83.8	166.7	0	0	0	112.2	I709 F710 N713 F715 D746 I747 E748 F752 M753 L754 C762 P764	I709-L750 HydrophobicContact CG2-CD2 4.47Å; F710-L750 HydrophobicContact CD1-CB 4.17Å; F710-L750 HydrophobicContact CD1-CD1 3.7Å; F710-L750 HydrophobicContact CE1-CB 3.41Å; F710-L750 VanDerWaalsContact CE1-CB 3.41Å; F710-L750 HydrophobicContact CE1-CD1 3.84Å; F710-L750 HydrophobicContact CE1-CG 4.23Å; F710-L750 HydrophobicContact CZ-CB 3.82Å; N713-L750 HydrophobicContact CB-CD1 4.12Å; F715-L750 HydrophobicContact CD2-CD1 4.11Å; F715-L750 HydrophobicContact CE2-CD1 3.77Å; D746-L750 WeakPolarHBondContact O-CG 3.38Å; D746-L750 PolarHBondContact O-N 2.85Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.35Å; E748-L750 VanDerWaalsContact C-N 3.33Å; E748-L750 PolarHBondContact O-N 2.94Å; L750-F752 VanDerWaalsContact C-N 3.28Å; L750-F752 PolarHBondContact O-N 3.17Å; L750-M753 HydrophobicContact CD2-CE 4.11Å; L750-M753 HydrophobicContact CG-CE 4.45Å; L750-M753 PolarHBondContact O-N 3.16Å; L750-L754 WeakPolarHBondContact O-CB 3.08Å; L750-L754 VanDerWaalsContact O-CG 3.28Å; L750-L754 WeakPolarHBondContact O-CG 3.36Å; L750-L754 PolarHBondContact O-N 3.35Å; L750-C762 WeakPolarHBondContact CD2-SG 3.49Å; L750-P764 HydrophobicContact CD1-CG 3.94Å; L750-P764 HydrophobicContact CD2-CG 4.4Å; L750-P764 HydrophobicContact CG-CG 3.89Å
751	I	91.2	Very high	85.5	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-42.1	176.9	-68.5	169.6	0	0	0	110.5	L695 V702 L703 F710 I747 E748 L754 S755	L695-I751 HydrophobicContact CD1-CD1 4.08Å; L695-I751 HydrophobicContact CD2-CD1 3.81Å; V702-I751 HydrophobicContact CB-CG2 4.33Å; V702-I751 HydrophobicContact CG1-CG2 4.17Å; L703-I751 HydrophobicContact CB-CD1 4.4Å; L703-I751 HydrophobicContact CD1-CD1 4.38Å; F710-I751 HydrophobicContact CE1-CG1 4.2Å; F710-I751 HydrophobicContact CZ-CG1 3.72Å; I747-I751 HydrophobicContact CG2-CD1 4.09Å; I747-I751 WeakPolarHBondContact O-CG1 3.47Å; I747-I751 PolarHBondContact O-N 2.79Å; E748-I751 PolarHBondContact O-N 3.18Å; I751-L754 PolarHBondContact O-N 2.88Å; I751-S755 WeakPolarHBondContact O-CB 3.2Å; I751-S755 PolarHBondContact O-N 3.15Å; I751-S755 PolarHBondContact O-OG 3.26Å
752	F	90.3	Very high	86.3	Confident	138 Å²	138	50.2 Å²	50.2	61%	0.605	30%	0.301	S	S	*	.	H	α-helix	trans	-62.2	-49.9	176.8	-177.6	-96.1	0	0	0	112.1	E748 E749 L750 L754 S755 D756	E748-F752 WeakPolarHBondContact O-CB 3.48Å; E748-F752 PolarHBondContact O-N 2.78Å; E749-F752 PolarHBondContact O-N 2.96Å; L750-F752 VanDerWaalsContact C-N 3.28Å; L750-F752 PolarHBondContact O-N 3.17Å; F752-L754 VanDerWaalsContact C-N 3.32Å; F752-L754 PolarHBondContact O-N 2.77Å; F752-S755 WeakPolarHBondContact O-CB 3.35Å; F752-S755 PolarHBondContact O-N 3.13Å; F752-D756 PolarHBondContact O-N 3.25Å
753	M	88.7	Confident	86.7	Confident	34 Å²	34	50.1 Å²	50.1	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-35.9	178.5	-71	-177.7	-67.9	0	0	113.3	E749 L750 S757 C762 R763	E749-M753 HydrophobicContact CG-CE 4.04Å; E749-M753 WeakPolarHBondContact O-CE 2.99Å; E749-M753 WeakPolarHBondContact O-CG 3.19Å; E749-M753 PolarHBondContact O-N 2.83Å; L750-M753 HydrophobicContact CD2-CE 4.11Å; L750-M753 HydrophobicContact CG-CE 4.45Å; L750-M753 PolarHBondContact O-N 3.16Å; M753-S757 PolarHBondContact O-N 3.42Å; M753-S757 PolarHBondContact O-OG 3.39Å; M753-C762 HydrophobicContact CB-CB 4.23Å; M753-C762 HydrophobicContact CE-CB 4.33Å; M753-C762 HydrophobicContact SD-CB 4.35Å; M753-R763 WeakPolarHBondContact CE-O 3.48Å
754	L	90.5	Very high	87.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-74.8	-24.9	177.6	-69.4	167.3	0	0	0	112.8	V702 N706 I709 F710 L750 I751 F752 S757 P758	V702-L754 HydrophobicContact CG1-CB 3.79Å; N706-L754 HydrophobicContact CB-CD1 3.73Å; N706-L754 HydrophobicContact CB-CD2 4.47Å; I709-L754 HydrophobicContact CD1-CD2 3.65Å; I709-L754 HydrophobicContact CG2-CD1 4.42Å; I709-L754 HydrophobicContact CG2-CD2 4.49Å; F710-L754 HydrophobicContact CE2-CD1 3.64Å; F710-L754 HydrophobicContact CZ-CD1 3.87Å; L750-L754 WeakPolarHBondContact O-CB 3.08Å; L750-L754 VanDerWaalsContact O-CG 3.28Å; L750-L754 WeakPolarHBondContact O-CG 3.36Å; L750-L754 PolarHBondContact O-N 3.35Å; I751-L754 PolarHBondContact O-N 2.88Å; F752-L754 VanDerWaalsContact C-N 3.32Å; F752-L754 PolarHBondContact O-N 2.77Å; L754-S757 CarbonylContact O-C 3.54Å; L754-S757 PolarHBondContact O-N 3.26Å; L754-P758 WeakPolarHBondContact O-CA 3.38Å; L754-P758 WeakPolarHBondContact O-CD 3.45Å; L754-P758 WeakPolarHBondContact O-CG 3.35Å; L754-P758 VanDerWaalsContact O-N 3.12Å
755	S	87.4	Confident	87.4	Confident	62 Å²	62	48.8 Å²	48.8	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-67.7	-38.1	173.5	-58.5	0	0	0	0	112	I751 F752	I751-S755 WeakPolarHBondContact O-CB 3.2Å; I751-S755 PolarHBondContact O-N 3.15Å; I751-S755 PolarHBondContact O-OG 3.26Å; F752-S755 WeakPolarHBondContact O-CB 3.35Å; F752-S755 PolarHBondContact O-N 3.13Å
756	D	83.4	Confident	87.3	Confident	135 Å²	135	48.8 Å²	48.8	72%	0.722	28%	0.275	S	S	*	.	H	α-helix	trans	-79.9	-25.5	173.7	-90.6	0.7	0	0	0	113	F752	F752-D756 PolarHBondContact O-N 3.25Å
757	S	83.3	Confident	87.2	Confident	45 Å²	45	48.4 Å²	48.4	32%	0.315	27%	0.273	S	S	.	.	S	Bend	trans	-146.8	77.2	-175.7	53.9	0	0	0	0	113.7	M753 L754 V760	M753-S757 PolarHBondContact O-N 3.42Å; M753-S757 PolarHBondContact O-OG 3.39Å; L754-S757 CarbonylContact O-C 3.54Å; L754-S757 PolarHBondContact O-N 3.26Å; S757-V760 PolarHBondContact O-N 3.04Å
758	P	81.6	Confident	87.1	Confident	94 Å²	94	52.8 Å²	52.8	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	141.9	-178.2	-25	34.6	0	0	0	113.3	L754 V760	L754-P758 WeakPolarHBondContact O-CA 3.38Å; L754-P758 WeakPolarHBondContact O-CD 3.45Å; L754-P758 WeakPolarHBondContact O-CG 3.35Å; L754-P758 VanDerWaalsContact O-N 3.12Å; P758-V760 PolarHBondContact O-N 2.86Å
759	G	76.4	Confident	86.9	Confident	57 Å²	57	49.9 Å²	49.9	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-6	177.3	0	0	0	0	0	116.2	N706	N706-G759 PolarHBondContact OD1-N 3.25Å
760	V	84.4	Confident	86.6	Confident	87 Å²	87	48.2 Å²	48.2	53%	0.527	27%	0.268	S	S	.	.	S	Bend	trans	-81	129	176.7	-178.1	0	0	0	0	109.8	S757 P758 C762	S757-V760 PolarHBondContact O-N 3.04Å; P758-V760 PolarHBondContact O-N 2.86Å; V760-C762 PolarHBondContact O-N 3.48Å
761	M	84.7	Confident	86.6	Confident	65 Å²	65	48.2 Å²	48.2	32%	0.32	27%	0.268	S	S	.	.			trans	-67.2	90.4	-177.1	-174.1	61.6	-150.3	0	0	112.3	I709 K712	I709-M761 HydrophobicContact CB-SD 4.34Å; I709-M761 HydrophobicContact CG1-SD 4.08Å; I709-M761 HydrophobicContact CG2-CE 4.22Å; I709-M761 HydrophobicContact CG2-SD 3.98Å; K712-M761 HydrophobicContact CB-CE 3.52Å; K712-M761 HydrophobicContact CB-SD 4.26Å; K712-M761 HydrophobicContact CD-CE 4.22Å; K712-M761 HydrophobicContact CD-SD 3.83Å; K712-M761 HydrophobicContact CG-CE 4.46Å
762	C	87.5	Confident	86.4	Confident	14 Å²	14	48.1 Å²	48.1	10%	0.095	27%	0.268	C	S	.	.			trans	-97.6	164	-177	67.7	0	0	0	0	113.1	N713 L750 M753 V760	N713-C762 PolarHBondContact ND2-O 3.41Å; L750-C762 WeakPolarHBondContact CD2-SG 3.49Å; M753-C762 HydrophobicContact CB-CB 4.23Å; M753-C762 HydrophobicContact CE-CB 4.33Å; M753-C762 HydrophobicContact SD-CB 4.35Å; V760-C762 PolarHBondContact O-N 3.48Å
763	R	89.7	Confident	86.2	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.015	26%	0.258	C	S	.	.			trans	-141.3	130.6	-173.3	-63	-60.9	-172.8	168.3	1.3	109.7	Q677 T680 K712 N713 M753 V767 R768 F771	Q677-R763 HydrophobicContact CB-CG 4.4Å; Q677-R763 HydrophobicContact CG-CG 4.32Å; Q677-R763 PolarHBondContact O-NE 3.26Å; Q677-R763 PolarHBondContact O-NH2 3.19Å; T680-R763 PolarHBondContact O-NH1 2.82Å; T680-R763 PolarHBondContact O-NH2 3.15Å; K712-R763 PolarHBondContact O-NH1 2.87Å; N713-R763 WeakPolarHBondContact OD1-CD 3.38Å; N713-R763 PolarHBondContact OD1-NH1 2.97Å; M753-R763 WeakPolarHBondContact CE-O 3.48Å; R763-V767 HydrophobicContact CB-CB 4.38Å; R763-V767 HydrophobicContact CB-CG1 4.15Å; R763-V767 HydrophobicContact CG-CG1 4.44Å; R763-R768 HydrophobicContact CB-CG 3.65Å; R763-R768 WeakPolarHBondContact O-CD 3.35Å; R763-R768 PolarHBondContact O-NE 2.89Å; R763-F771 HydrophobicContact CG-CE2 4.41Å
764	P	89.5	Confident	86.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.			trans	-52.1	150.9	174.2	-21.9	27.6	0	0	0	112	N713 D746 L750 R766 V767 R768	N713-P764 WeakPolarHBondContact OD1-CD 3.32Å; D746-P764 HydrophobicContact CB-CB 4.31Å; D746-P764 HydrophobicContact CB-CG 4.23Å; L750-P764 HydrophobicContact CD1-CG 3.94Å; L750-P764 HydrophobicContact CD2-CG 4.4Å; L750-P764 HydrophobicContact CG-CG 3.89Å; P764-R766 PolarHBondContact O-N 3.11Å; P764-V767 HydrophobicContact CB-CB 4.42Å; P764-V767 HydrophobicContact CB-CG2 4.13Å; P764-V767 HydrophobicContact CG-CB 4.43Å; P764-V767 HydrophobicContact CG-CG2 3.85Å; P764-V767 WeakPolarHBondContact O-CA 3.43Å; P764-V767 WeakPolarHBondContact O-CB 3.33Å; P764-V767 PolarHBondContact O-N 2.83Å; P764-R768 PolarHBondContact O-N 2.78Å
765	S	87.8	Confident	86.3	Confident	35 Å²	35	47.5 Å²	47.5	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-49	-43.1	175.7	59.3	0	0	0	0	111.7	E749 R768 Q769	E749-S765 WeakPolarHBondContact OE1-CB 3.17Å; E749-S765 PolarHBondContact OE1-N 2.99Å; E749-S765 WeakPolarHBondContact OE2-CB 3.37Å; E749-S765 PolarHBondContact OE2-N 2.88Å; E749-S765 PolarHBondContact OE2-OG 3.19Å; S765-R768 PolarHBondContact O-N 2.85Å; S765-Q769 WeakPolarHBondContact O-CG 3.45Å; S765-Q769 PolarHBondContact O-N 2.87Å; S765-Q769 PolarHBondContact O-NE2 3.05Å; S765-Q769 VanDerWaalsContact O-NE2 3.16Å
766	R	84.5	Confident	86.2	Confident	69 Å²	69	46.5 Å²	46.5	26%	0.26	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-43.5	175.9	-65.6	-177.9	68.1	-146.7	4.9	112.4	W740 T741 F742 D746 P764 Q769 M770	W740-R766 HydrophobicContact CE3-CB 4.11Å; W740-R766 HydrophobicContact CZ3-CB 3.7Å; W740-R766 HydrophobicContact CZ3-CG 4.03Å; T741-R766 VanDerWaalsContact O-CZ 3.28Å; T741-R766 PolarHBondContact O-NH1 2.9Å; T741-R766 PolarHBondContact O-NH2 2.83Å; F742-R766 HydrophobicContact CD1-CB 4.2Å; F742-R766 HydrophobicContact CE1-CB 3.58Å; D746-R766 WeakPolarHBondContact OD1-CD 3.45Å; D746-R766 IonicContact OD1-NH1 3.07Å; D746-R766 IonicContact OD2-CZ 3.73Å; D746-R766 IonicContact OD2-NH1 3.09Å; D746-R766 PolarHBondContact OD2-NH1 3.03Å; P764-R766 PolarHBondContact O-N 3.11Å; R766-Q769 PolarHBondContact O-N 2.75Å; R766-M770 PolarHBondContact O-N 3.03Å; R766-M770 VanDerWaalsContact O-N 3.1Å
767	V	86.9	Confident	86.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-43.6	175	175.3	0	0	0	0	111	L682 F742 R763 P764 Q769 M770 F771	L682-V767 HydrophobicContact CD1-CB 4.45Å; L682-V767 HydrophobicContact CD1-CG1 3.82Å; L682-V767 HydrophobicContact CD1-CG2 3.72Å; F742-V767 HydrophobicContact CD1-CG2 3.97Å; F742-V767 HydrophobicContact CE1-CB 4.35Å; F742-V767 HydrophobicContact CE1-CG2 3.35Å; F742-V767 HydrophobicContact CZ-CG2 3.79Å; R763-V767 HydrophobicContact CB-CB 4.38Å; R763-V767 HydrophobicContact CB-CG1 4.15Å; R763-V767 HydrophobicContact CG-CG1 4.44Å; P764-V767 HydrophobicContact CB-CB 4.42Å; P764-V767 HydrophobicContact CB-CG2 4.13Å; P764-V767 HydrophobicContact CG-CB 4.43Å; P764-V767 HydrophobicContact CG-CG2 3.85Å; P764-V767 WeakPolarHBondContact O-CA 3.43Å; P764-V767 WeakPolarHBondContact O-CB 3.33Å; P764-V767 PolarHBondContact O-N 2.83Å; V767-Q769 VanDerWaalsContact C-N 3.34Å; V767-Q769 PolarHBondContact O-N 2.97Å; V767-M770 PolarHBondContact O-N 3.24Å; V767-F771 HydrophobicContact CG1-CD2 3.81Å; V767-F771 HydrophobicContact CG1-CE1 4.41Å; V767-F771 HydrophobicContact CG1-CE2 3.42Å; V767-F771 VanDerWaalsContact CG1-CE2 3.42Å; V767-F771 HydrophobicContact CG1-CG 4.47Å; V767-F771 HydrophobicContact CG1-CZ 3.75Å; V767-F771 PolarHBondContact O-N 2.63Å
768	R	88.8	Confident	86.5	Confident	95 Å²	95	55.1 Å²	55.1	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-42.6	176.9	-70.6	-176.4	-80.1	145.3	-3.1	111.6	F673 E749 R763 P764 S765 F771 A772	F673-R768 WeakPolarHBondContact CE2-O 3.25Å; F673-R768 HydrophobicContact CZ-CB 4.33Å; F673-R768 HydrophobicContact CZ-CG 4.47Å; E749-R768 IonicContact OE1-NH2 2.67Å; E749-R768 PolarHBondContact OE1-NH2 2.92Å; R763-R768 HydrophobicContact CB-CG 3.65Å; R763-R768 WeakPolarHBondContact O-CD 3.35Å; R763-R768 PolarHBondContact O-NE 2.89Å; P764-R768 PolarHBondContact O-N 2.78Å; S765-R768 PolarHBondContact O-N 2.85Å; R768-F771 PolarHBondContact O-N 3.45Å; R768-A772 WeakPolarHBondContact O-CB 3.33Å; R768-A772 PolarHBondContact O-N 2.98Å
769	Q	85.3	Confident	87	Confident	60 Å²	60	51 Å²	51	28%	0.28	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-40.9	176.2	-66.4	147.4	20.2	0	0	112.2	S765 R766 V767 A772 S773	S765-Q769 WeakPolarHBondContact O-CG 3.45Å; S765-Q769 PolarHBondContact O-N 2.87Å; S765-Q769 PolarHBondContact O-NE2 3.05Å; S765-Q769 VanDerWaalsContact O-NE2 3.16Å; R766-Q769 PolarHBondContact O-N 2.75Å; V767-Q769 VanDerWaalsContact C-N 3.34Å; V767-Q769 PolarHBondContact O-N 2.97Å; Q769-A772 PolarHBondContact O-N 3.19Å; Q769-S773 PolarHBondContact O-N 3.28Å
770	M	86.4	Confident	87.6	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.1	-176.7	-172.7	66.3	0	0	111.5	L682 S737 R766 V767 S773 R774	L682-M770 HydrophobicContact CD1-CE 4.47Å; L682-M770 HydrophobicContact CD2-CE 3.73Å; S737-M770 PolarHBondContact OG-SD 3.24Å; R766-M770 PolarHBondContact O-N 3.03Å; R766-M770 VanDerWaalsContact O-N 3.1Å; V767-M770 PolarHBondContact O-N 3.24Å; M770-S773 PolarHBondContact O-N 3.08Å; M770-R774 VanDerWaalsContact O-CG 3.32Å; M770-R774 WeakPolarHBondContact O-CG 3.45Å; M770-R774 PolarHBondContact O-N 2.99Å; M770-R774 PolarHBondContact SD-NH2 2.67Å; M770-R774 VanDerWaalsContact SD-NH2 3.4Å
771	F	90.6	Very high	87.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-36.5	176.3	-68.4	-22.9	0	0	0	112.9	F673 L676 Q677 T680 L682 R763 V767 R768 R774 A775	F673-F771 HydrophobicContact CD2-CB 3.92Å; F673-F771 HydrophobicContact CE2-CB 3.88Å; L676-F771 HydrophobicContact CB-CB 4.16Å; L676-F771 HydrophobicContact CB-CD1 4.23Å; L676-F771 HydrophobicContact CB-CD2 4.42Å; L676-F771 HydrophobicContact CB-CG 4.04Å; L676-F771 HydrophobicContact CD1-CB 4.41Å; Q677-F771 HydrophobicContact CG-CD2 3.98Å; T680-F771 HydrophobicContact CG2-CE1 3.85Å; T680-F771 HydrophobicContact CG2-CZ 3.91Å; L682-F771 HydrophobicContact CD2-CE1 3.93Å; L682-F771 HydrophobicContact CD2-CZ 3.87Å; L682-F771 HydrophobicContact CG-CZ 4.35Å; R763-F771 HydrophobicContact CG-CE2 4.41Å; V767-F771 HydrophobicContact CG1-CD2 3.81Å; V767-F771 HydrophobicContact CG1-CE1 4.41Å; V767-F771 HydrophobicContact CG1-CE2 3.42Å; V767-F771 VanDerWaalsContact CG1-CE2 3.42Å; V767-F771 HydrophobicContact CG1-CG 4.47Å; V767-F771 HydrophobicContact CG1-CZ 3.75Å; V767-F771 PolarHBondContact O-N 2.63Å; R768-F771 PolarHBondContact O-N 3.45Å; F771-R774 PolarHBondContact O-N 2.85Å; F771-A775 VanDerWaalsContact O-CB 3.28Å; F771-A775 WeakPolarHBondContact O-CB 3.47Å; F771-A775 PolarHBondContact O-N 3.07Å
772	A	86.9	Confident	87.5	Confident	5 Å²	5	53.5 Å²	53.5	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-46.6	173.8	0	0	0	0	0	111.5	F673 R768 Q769 R774 A775 C776 P808	F673-A772 HydrophobicContact CD2-CB 4.26Å; F673-A772 HydrophobicContact CE2-CB 4.23Å; R768-A772 WeakPolarHBondContact O-CB 3.33Å; R768-A772 PolarHBondContact O-N 2.98Å; Q769-A772 PolarHBondContact O-N 3.19Å; A772-R774 PolarHBondContact O-N 2.94Å; A772-A775 PolarHBondContact O-N 3.45Å; A772-C776 WeakPolarHBondContact O-CB 3.4Å; A772-C776 PolarHBondContact O-N 3.25Å; A772-P808 HydrophobicContact CB-CB 3.58Å; A772-P808 HydrophobicContact CB-CG 4.31Å
773	S	85.9	Confident	87.3	Confident	56 Å²	56	54.8 Å²	54.8	39%	0.392	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-40.8	176.3	-168.2	0	0	0	0	112.5	Q769 M770 R777	Q769-S773 PolarHBondContact O-N 3.28Å; M770-S773 PolarHBondContact O-N 3.08Å; S773-R777 WeakPolarHBondContact O-CG 3.48Å; S773-R777 PolarHBondContact O-N 3.45Å
774	R	88.9	Confident	87.2	Confident	104 Å²	104	57.4 Å²	57.4	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-39.1	174.3	-72	178.9	-173.1	-157.6	5.4	112.3	L676 S737 M770 F771 A772 K778	L676-R774 HydrophobicContact CD1-CB 3.87Å; S737-R774 PolarHBondContact OG-NH2 3.45Å; M770-R774 VanDerWaalsContact O-CG 3.32Å; M770-R774 WeakPolarHBondContact O-CG 3.45Å; M770-R774 PolarHBondContact O-N 2.99Å; M770-R774 PolarHBondContact SD-NH2 2.67Å; M770-R774 VanDerWaalsContact SD-NH2 3.4Å; F771-R774 PolarHBondContact O-N 2.85Å; A772-R774 PolarHBondContact O-N 2.94Å; R774-K778 WeakPolarHBondContact O-CB 3.46Å; R774-K778 PolarHBondContact O-N 2.93Å
775	A	91.7	Very high	87.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-51	177.7	0	0	0	0	0	111.6	E669 N672 F673 L676 F771 A772 R777 K778 S779	E669-A775 HydrophobicContact CG-CB 4.26Å; N672-A775 HydrophobicContact CB-CB 3.94Å; F673-A775 HydrophobicContact CB-CB 3.86Å; L676-A775 HydrophobicContact CD1-CB 4.19Å; F771-A775 VanDerWaalsContact O-CB 3.28Å; F771-A775 WeakPolarHBondContact O-CB 3.47Å; F771-A775 PolarHBondContact O-N 3.07Å; A772-A775 PolarHBondContact O-N 3.45Å; A775-R777 VanDerWaalsContact C-N 3.33Å; A775-R777 PolarHBondContact O-N 3.05Å; A775-K778 PolarHBondContact O-N 3.16Å; A775-S779 PolarHBondContact O-N 2.84Å; A775-S779 VanDerWaalsContact O-N 3.13Å; A775-S779 PolarHBondContact O-OG 3.28Å
776	C	84.9	Confident	87.7	Confident	41 Å²	41	59.9 Å²	59.9	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-55.7	-45.3	178.2	177.1	0	0	0	0	111.8	H665 E669 A772 K778 S779	H665-C776 PolarHBondContact NE2-SG 2.86Å; H665-C776 VanDerWaalsContact NE2-SG 3.44Å; E669-C776 HydrophobicContact CG-CB 4.24Å; A772-C776 WeakPolarHBondContact O-CB 3.4Å; A772-C776 PolarHBondContact O-N 3.25Å; C776-K778 VanDerWaalsContact C-N 3.27Å; C776-K778 PolarHBondContact O-N 2.8Å; C776-S779 PolarHBondContact O-N 2.81Å
777	R	85.5	Confident	88.3	Confident	217 Å²	217	58.9 Å²	58.9	82%	0.819	31%	0.306	S	S	*	.	H	α-helix	trans	-67.9	-18.1	176.6	-69.8	-177.8	-175.5	-150.8	0.9	115.1	S773 A775	S773-R777 WeakPolarHBondContact O-CG 3.48Å; S773-R777 PolarHBondContact O-N 3.45Å; A775-R777 VanDerWaalsContact C-N 3.33Å; A775-R777 PolarHBondContact O-N 3.05Å
778	K	88.4	Confident	88.6	Confident	144 Å²	144	63.5 Å²	63.5	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-92.1	-19	178.3	-174	-177	171.6	-143.6	0	112.5	N672 R774 A775 C776	N672-K778 WeakPolarHBondContact OD1-CD 3.45Å; N672-K778 WeakPolarHBondContact OD1-CE 3.43Å; N672-K778 PolarHBondContact OD1-NZ 3.11Å; R774-K778 WeakPolarHBondContact O-CB 3.46Å; R774-K778 PolarHBondContact O-N 2.93Å; A775-K778 PolarHBondContact O-N 3.16Å; C776-K778 VanDerWaalsContact C-N 3.27Å; C776-K778 PolarHBondContact O-N 2.8Å
779	S	92.6	Very high	89	Confident	8 Å²	8	63.2 Å²	63.2	6%	0.056	35%	0.347	C	S	.	.	S	Bend	trans	-90.5	159.5	-165.1	-57.1	0	0	0	0	113.3	D668 E669 N672 A775 C776 M781	D668-S779 PolarHBondContact O-OG 3.48Å; D668-S779 WeakPolarHBondContact OD2-CA 3.38Å; D668-S779 WeakPolarHBondContact OD2-CB 3.48Å; E669-S779 WeakPolarHBondContact CA-OG 3.41Å; E669-S779 PolarHBondContact N-OG 2.95Å; N672-S779 PolarHBondContact ND2-OG 3.38Å; N672-S779 VanDerWaalsContact ND2-OG 3.11Å; A775-S779 PolarHBondContact O-N 2.84Å; A775-S779 VanDerWaalsContact O-N 3.13Å; A775-S779 PolarHBondContact O-OG 3.28Å; C776-S779 PolarHBondContact O-N 2.81Å; S779-M781 PolarHBondContact O-N 3.01Å
780	V	89.6	Confident	89.5	Confident	33 Å²	33	64.9 Å²	64.9	20%	0.2	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-47.3	127.5	176.9	172.4	0	0	0	0	111.3	Q664 H665 D668 T784 L786 L794	Q664-V780 HydrophobicContact CG-CG1 4.06Å; H665-V780 PolarHBondContact ND1-O 3.43Å; D668-V780 PolarHBondContact OD2-N 3.12Å; V780-T784 HydrophobicContact CG1-CG2 4.33Å; V780-L786 HydrophobicContact CG1-CD1 4.3Å; V780-L786 HydrophobicContact CG1-CD2 3.97Å; V780-L786 HydrophobicContact CG1-CG 4.44Å; V780-L786 HydrophobicContact CG2-CD2 4.34Å; V780-L794 HydrophobicContact CG2-CD1 4.25Å
781	M	87.1	Confident	90	Very high	123 Å²	123	64.7 Å²	64.7	61%	0.606	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-72.8	150.8	-178.7	-67.1	-68.9	-75.8	0	0	111.8	Q664 S779 G783 T784	Q664-M781 PolarHBondContact NE2-O 3.02Å; S779-M781 PolarHBondContact O-N 3.01Å; M781-G783 PolarHBondContact O-N 2.82Å; M781-T784 WeakPolarHBondContact O-CB 3.5Å; M781-T784 PolarHBondContact O-N 2.98Å; M781-T784 PolarHBondContact O-OG1 3.24Å
782	I	79.8	Confident	90.2	Very high	105 Å²	105	69.7 Å²	69.7	54%	0.538	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	128.1	171.5	-56.9	173.4	0	0	0	107.7	H665	H665-I782 HydrophobicContact CB-CG1 3.88Å
783	G	82.3	Confident	90.7	Very high	42 Å²	42	75.3 Å²	75.3	43%	0.433	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-7.5	-173.7	0	0	0	0	0	114.4	L648 M781 A785	L648-G783 CarbonylContact O-C 3.56Å; L648-G783 WeakPolarHBondContact O-CA 3.38Å; L648-G783 PolarHBondContact O-N 3.18Å; M781-G783 PolarHBondContact O-N 2.82Å; G783-A785 PolarHBondContact O-N 3.21Å
784	T	88.1	Confident	91.2	Very high	58 Å²	58	73 Å²	73	36%	0.356	38%	0.382	S	S	.	.			trans	-73.2	124.1	174.6	-59	0	0	0	0	110.6	Q645 Q664 V780 M781 L786	Q645-T784 PolarHBondContact NE2-O 3.49Å; Q664-T784 PolarHBondContact NE2-O 3.45Å; V780-T784 HydrophobicContact CG1-CG2 4.33Å; M781-T784 WeakPolarHBondContact O-CB 3.5Å; M781-T784 PolarHBondContact O-N 2.98Å; M781-T784 PolarHBondContact O-OG1 3.24Å; T784-L786 HydrophobicContact CG2-CD2 4.2Å
785	A	92.5	Very high	91.5	Very high	71 Å²	71	68.2 Å²	68.2	59%	0.587	36%	0.364	S	S	*	.			trans	-69.2	136	167.9	0	0	0	0	0	110.5	L648 G783	L648-A785 HydrophobicContact CD2-CB 3.93Å; G783-A785 PolarHBondContact O-N 3.21Å
786	L	94.8	Very high	91.6	Very high	17 Å²	17	70.8 Å²	70.8	9%	0.089	38%	0.378	C	S	.	.			trans	-119.5	139.2	-176.3	-67.4	180	0	0	0	112.1	I651 Q664 V780 T784 E790 M791 L794	I651-L786 HydrophobicContact CD1-CD1 4.49Å; Q664-L786 HydrophobicContact CB-CD1 4.08Å; Q664-L786 HydrophobicContact CG-CD1 4.45Å; V780-L786 HydrophobicContact CG1-CD1 4.3Å; V780-L786 HydrophobicContact CG1-CD2 3.97Å; V780-L786 HydrophobicContact CG1-CG 4.44Å; V780-L786 HydrophobicContact CG2-CD2 4.34Å; T784-L786 HydrophobicContact CG2-CD2 4.2Å; L786-E790 HydrophobicContact CB-CB 4.41Å; L786-E790 HydrophobicContact CD2-CB 4.16Å; L786-M791 HydrophobicContact CB-CG 3.66Å; L786-M791 HydrophobicContact CB-SD 4.49Å; L786-M791 HydrophobicContact CD1-CG 4.1Å; L786-L794 HydrophobicContact CD1-CD1 4.01Å
787	S	96.3	Very high	92.1	Very high	48 Å²	48	69.9 Å²	69.9	34%	0.336	37%	0.369	S	S	.	.			trans	-68.3	158.1	167.9	68.7	0	0	0	0	111.6	S789 E790 M791	S787-S789 WeakPolarHBondContact CB-OG 3.38Å; S787-S789 PolarHBondContact O-N 2.8Å; S787-S789 PolarHBondContact OG-OG 3.25Å; S787-E790 WeakPolarHBondContact CB-OE2 3.46Å; S787-E790 PolarHBondContact N-OE2 2.86Å; S787-E790 PolarHBondContact O-N 3.12Å; S787-E790 VanDerWaalsContact O-N 3.07Å; S787-E790 WeakPolarHBondContact OG-CG 3.33Å; S787-E790 PolarHBondContact OG-N 2.99Å; S787-E790 PolarHBondContact OG-OE2 2.89Å; S787-M791 WeakPolarHBondContact O-CG 3.42Å; S787-M791 PolarHBondContact O-N 3.03Å
788	V	94.8	Very high	92.5	Very high	97 Å²	97	59.5 Å²	59.5	59%	0.588	33%	0.33	S	S	*	.	H	α-helix	trans	-58.2	-34	175.2	-177	0	0	0	0	111.5	I642 M791 K792	I642-V788 HydrophobicContact CB-CG1 4.42Å; V788-M791 HydrophobicContact CG2-CE 4.23Å; V788-K792 VanDerWaalsContact O-CB 3.26Å; V788-K792 WeakPolarHBondContact O-CB 3.28Å; V788-K792 PolarHBondContact O-N 3.42Å
789	S	95.7	Very high	92.6	Very high	88 Å²	88	53.1 Å²	53.1	62%	0.615	31%	0.305	S	S	*	.	H	α-helix	trans	-61.4	-46.2	172.3	23.8	0	0	0	0	113.4	S787 K793	S787-S789 WeakPolarHBondContact CB-OG 3.38Å; S787-S789 PolarHBondContact O-N 2.8Å; S787-S789 PolarHBondContact OG-OG 3.25Å; S789-K793 WeakPolarHBondContact O-CB 3.44Å; S789-K793 PolarHBondContact O-N 3.16Å
790	E	95.8	Very high	92.6	Very high	95 Å²	95	57.3 Å²	57.3	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-70.9	-42.1	178.8	-70.2	159.1	120.1	0	0	111.4	L786 S787 K792 K793 L794	L786-E790 HydrophobicContact CB-CB 4.41Å; L786-E790 HydrophobicContact CD2-CB 4.16Å; S787-E790 WeakPolarHBondContact CB-OE2 3.46Å; S787-E790 PolarHBondContact N-OE2 2.86Å; S787-E790 PolarHBondContact O-N 3.12Å; S787-E790 VanDerWaalsContact O-N 3.07Å; S787-E790 WeakPolarHBondContact OG-CG 3.33Å; S787-E790 PolarHBondContact OG-N 2.99Å; S787-E790 PolarHBondContact OG-OE2 2.89Å; E790-K792 VanDerWaalsContact C-N 3.35Å; E790-K792 PolarHBondContact O-N 3.4Å; E790-K793 WeakPolarHBondContact O-CB 3.34Å; E790-K793 PolarHBondContact O-N 3.44Å; E790-L794 WeakPolarHBondContact O-CG 3.41Å; E790-L794 PolarHBondContact O-N 3.39Å
791	M	96.9	Very high	92.7	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.03	31%	0.314	C	S	.	.	H	α-helix	trans	-58	-47.7	173.3	-69.1	-166.9	-79.5	0	0	111.1	I642 Q645 I651 L786 S787 V788 K793 L794 V795	I642-M791 HydrophobicContact CG2-CB 3.98Å; I642-M791 HydrophobicContact CG2-CE 3.98Å; I642-M791 HydrophobicContact CG2-SD 4.12Å; Q645-M791 HydrophobicContact CB-CE 4.35Å; Q645-M791 HydrophobicContact CB-SD 3.75Å; Q645-M791 HydrophobicContact CG-SD 4.21Å; I651-M791 HydrophobicContact CB-SD 4.43Å; I651-M791 HydrophobicContact CD1-CB 3.98Å; I651-M791 HydrophobicContact CD1-CG 4Å; I651-M791 HydrophobicContact CG1-CB 4.23Å; I651-M791 HydrophobicContact CG1-CG 3.86Å; I651-M791 HydrophobicContact CG1-SD 4.07Å; I651-M791 HydrophobicContact CG2-CB 3.99Å; I651-M791 HydrophobicContact CG2-CG 4.23Å; I651-M791 HydrophobicContact CG2-SD 3.97Å; L786-M791 HydrophobicContact CB-CG 3.66Å; L786-M791 HydrophobicContact CB-SD 4.49Å; L786-M791 HydrophobicContact CD1-CG 4.1Å; S787-M791 WeakPolarHBondContact O-CG 3.42Å; S787-M791 PolarHBondContact O-N 3.03Å; V788-M791 HydrophobicContact CG2-CE 4.23Å; M791-K793 VanDerWaalsContact C-N 3.33Å; M791-K793 PolarHBondContact O-N 3.06Å; M791-L794 PolarHBondContact O-N 2.98Å; M791-V795 WeakPolarHBondContact O-CG2 3.42Å; M791-V795 PolarHBondContact O-N 3.4Å; M791-V795 VanDerWaalsContact O-N 3.14Å
792	K	96.3	Very high	92.5	Very high	105 Å²	105	55.3 Å²	55.3	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.3	-172.6	166.4	-176	169.9	0	112.5	I642 V788 E790 V795 I796	I642-K792 HydrophobicContact CG1-CB 4.05Å; V788-K792 VanDerWaalsContact O-CB 3.26Å; V788-K792 WeakPolarHBondContact O-CB 3.28Å; V788-K792 PolarHBondContact O-N 3.42Å; E790-K792 VanDerWaalsContact C-N 3.35Å; E790-K792 PolarHBondContact O-N 3.4Å; K792-V795 PolarHBondContact O-N 3.14Å; K792-I796 HydrophobicContact CG-CD1 3.93Å; K792-I796 HydrophobicContact CG-CG1 4.47Å; K792-I796 VanDerWaalsContact O-CG1 3.32Å; K792-I796 WeakPolarHBondContact O-CG1 3.28Å; K792-I796 PolarHBondContact O-N 3.38Å
793	K	96.3	Very high	92.7	Very high	124 Å²	124	55.3 Å²	55.3	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-48.7	174.4	177.2	179.6	175.4	-176.2	0	111.8	S789 E790 M791 V795 I796 H797	S789-K793 WeakPolarHBondContact O-CB 3.44Å; S789-K793 PolarHBondContact O-N 3.16Å; E790-K793 WeakPolarHBondContact O-CB 3.34Å; E790-K793 PolarHBondContact O-N 3.44Å; M791-K793 VanDerWaalsContact C-N 3.33Å; M791-K793 PolarHBondContact O-N 3.06Å; K793-V795 VanDerWaalsContact C-N 3.26Å; K793-V795 PolarHBondContact O-N 3.19Å; K793-I796 PolarHBondContact O-N 2.97Å; K793-H797 VanDerWaalsContact CE-CE1 3.47Å; K793-H797 WeakPolarHBondContact CE-CE1 3.25Å; K793-H797 WeakPolarHBondContact CE-NE2 3.41Å; K793-H797 WeakPolarHBondContact CG-NE2 3.2Å; K793-H797 PolarHBondContact O-CD2 2.93Å; K793-H797 VanDerWaalsContact O-CD2 3.28Å; K793-H797 PolarHBondContact O-N 2.71Å
794	L	96	Very high	93	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-32.5	179	-68.2	-173.7	0	0	0	112.9	I651 Q664 T667 D668 V780 L786 E790 M791	I651-L794 HydrophobicContact CD1-CB 4.13Å; I651-L794 HydrophobicContact CD1-CD1 4.2Å; Q664-L794 HydrophobicContact CB-CD1 4.37Å; T667-L794 WeakPolarHBondContact CG2-O 3.44Å; D668-L794 HydrophobicContact CB-CD1 4.39Å; D668-L794 HydrophobicContact CB-CD2 3.66Å; V780-L794 HydrophobicContact CG2-CD1 4.25Å; L786-L794 HydrophobicContact CD1-CD1 4.01Å; E790-L794 WeakPolarHBondContact O-CG 3.41Å; E790-L794 PolarHBondContact O-N 3.39Å; M791-L794 PolarHBondContact O-N 2.98Å
795	V	95.8	Very high	93.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-74.7	-40.7	175.5	-179.2	0	0	0	0	111.5	F637 M640 I642 I651 T653 I662 M791 K792 K793 H797 M798	F637-V795 HydrophobicContact CB-CG1 4.49Å; F637-V795 HydrophobicContact CD1-CG1 4.48Å; M640-V795 HydrophobicContact CB-CG1 3.94Å; M640-V795 HydrophobicContact CG-CG1 4.36Å; M640-V795 HydrophobicContact SD-CG1 3.91Å; I642-V795 HydrophobicContact CD1-CB 4.34Å; I642-V795 HydrophobicContact CD1-CG2 3.84Å; I651-V795 HydrophobicContact CD1-CG2 4.49Å; I651-V795 HydrophobicContact CG2-CG2 4.37Å; T653-V795 HydrophobicContact CG2-CG2 3.96Å; I662-V795 HydrophobicContact CD1-CG1 4.18Å; I662-V795 HydrophobicContact CD1-CG2 3.7Å; M791-V795 WeakPolarHBondContact O-CG2 3.42Å; M791-V795 PolarHBondContact O-N 3.4Å; M791-V795 VanDerWaalsContact O-N 3.14Å; K792-V795 PolarHBondContact O-N 3.14Å; K793-V795 VanDerWaalsContact C-N 3.26Å; K793-V795 PolarHBondContact O-N 3.19Å; V795-H797 VanDerWaalsContact C-N 3.33Å; V795-H797 PolarHBondContact O-N 3.39Å; V795-M798 VanDerWaalsContact O-CB 3.31Å; V795-M798 WeakPolarHBondContact O-CB 3.39Å; V795-M798 PolarHBondContact O-N 3.46Å; V795-M798 VanDerWaalsContact O-N 3.09Å
796	I	94.6	Very high	92.9	Very high	55 Å²	55	50.7 Å²	50.7	28%	0.282	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-42.3	174.4	-70.5	166.7	0	0	0	111.2	K792 K793 M798 G799	K792-I796 HydrophobicContact CG-CD1 3.93Å; K792-I796 HydrophobicContact CG-CG1 4.47Å; K792-I796 VanDerWaalsContact O-CG1 3.32Å; K792-I796 WeakPolarHBondContact O-CG1 3.28Å; K792-I796 PolarHBondContact O-N 3.38Å; K793-I796 PolarHBondContact O-N 2.97Å; I796-M798 PolarHBondContact O-N 2.8Å; I796-M798 VanDerWaalsContact O-N 3.1Å; I796-G799 PolarHBondContact O-N 2.77Å
797	H	95.4	Very high	92.6	Very high	21 Å²	21	50.2 Å²	50.2	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-53.1	-29.5	174	-77.7	-167.2	0	0	0	113.3	Y671 K793 V795 G799 E800 I801	Y671-H797 AromaticContact CD1-CE1 3.71Å; Y671-H797 AromaticContact CD1-ND1 3.34Å; Y671-H797 VanDerWaalsContact CD1-ND1 3.34Å; Y671-H797 WeakPolarHBondContact CD1-ND1 3.45Å; Y671-H797 HydrophobicContact CD2-CB 3.47Å; Y671-H797 VanDerWaalsContact CD2-CB 3.47Å; Y671-H797 AromaticContact CD2-CG 3.66Å; Y671-H797 AromaticContact CD2-ND1 3.77Å; Y671-H797 AromaticContact CE1-CE1 3.47Å; Y671-H797 VanDerWaalsContact CE1-CE1 3.47Å; Y671-H797 WeakPolarHBondContact CE1-CE1 3.41Å; Y671-H797 AromaticContact CE1-ND1 3.51Å; Y671-H797 HydrophobicContact CE2-CB 3.81Å; Y671-H797 AromaticContact CE2-CG 3.65Å; Y671-H797 AromaticContact CE2-ND1 3.92Å; Y671-H797 HydrophobicContact CG-CB 3.91Å; Y671-H797 AromaticContact CG-CG 3.86Å; Y671-H797 AromaticContact CG-ND1 3.46Å; Y671-H797 AromaticContact CZ-CD2 3.93Å; Y671-H797 AromaticContact CZ-CE1 3.81Å; Y671-H797 AromaticContact CZ-CG 3.84Å; Y671-H797 AromaticContact CZ-ND1 3.78Å; Y671-H797 AromaticContact CZ-NE2 3.96Å; K793-H797 VanDerWaalsContact CE-CE1 3.47Å; K793-H797 WeakPolarHBondContact CE-CE1 3.25Å; K793-H797 WeakPolarHBondContact CE-NE2 3.41Å; K793-H797 WeakPolarHBondContact CG-NE2 3.2Å; K793-H797 PolarHBondContact O-CD2 2.93Å; K793-H797 VanDerWaalsContact O-CD2 3.28Å; K793-H797 PolarHBondContact O-N 2.71Å; V795-H797 VanDerWaalsContact C-N 3.33Å; V795-H797 PolarHBondContact O-N 3.39Å; H797-G799 VanDerWaalsContact C-N 3.27Å; H797-G799 PolarHBondContact O-N 3.47Å; H797-E800 PolarHBondContact O-N 3.18Å; H797-I801 PolarHBondContact O-N 2.92Å
798	M	93.9	Very high	92	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-26.5	176.1	-58.8	-171.2	79.7	0	0	113.3	F637 I662 T667 V795 I796 E800 I801 P804 M814	F637-M798 HydrophobicContact CD1-CB 3.46Å; F637-M798 VanDerWaalsContact CD1-CB 3.46Å; F637-M798 HydrophobicContact CD1-CG 4.29Å; F637-M798 HydrophobicContact CD1-SD 4.1Å; F637-M798 HydrophobicContact CD2-CB 4.29Å; F637-M798 HydrophobicContact CE1-CB 3.45Å; F637-M798 VanDerWaalsContact CE1-CB 3.45Å; F637-M798 HydrophobicContact CE1-CE 3.95Å; F637-M798 HydrophobicContact CE1-CG 4.21Å; F637-M798 HydrophobicContact CE1-SD 3.79Å; F637-M798 HydrophobicContact CE2-CB 4.3Å; F637-M798 HydrophobicContact CG-CB 3.89Å; F637-M798 HydrophobicContact CZ-CB 3.89Å; I662-M798 HydrophobicContact CD1-SD 4.09Å; I662-M798 HydrophobicContact CG2-SD 3.79Å; T667-M798 HydrophobicContact CG2-CE 4.25Å; T667-M798 HydrophobicContact CG2-CG 3.41Å; T667-M798 VanDerWaalsContact CG2-CG 3.41Å; T667-M798 HydrophobicContact CG2-SD 3.7Å; V795-M798 VanDerWaalsContact O-CB 3.31Å; V795-M798 WeakPolarHBondContact O-CB 3.39Å; V795-M798 PolarHBondContact O-N 3.46Å; V795-M798 VanDerWaalsContact O-N 3.09Å; I796-M798 PolarHBondContact O-N 2.8Å; I796-M798 VanDerWaalsContact O-N 3.1Å; M798-E800 VanDerWaalsContact C-N 3.33Å; M798-I801 WeakPolarHBondContact O-CG1 3.33Å; M798-P804 HydrophobicContact CB-CB 4.24Å; M798-P804 HydrophobicContact CE-CB 4.16Å; M798-P804 WeakPolarHBondContact CE-O 3.47Å; M798-M814 HydrophobicContact CE-CB 4.19Å; M798-M814 HydrophobicContact SD-CE 4.16Å; M798-M814 HydrophobicContact CE-CE 4.33Å
799	G	91.1	Very high	91.4	Very high	9 Å²	9	51 Å²	51	9%	0.093	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.7	173.7	0	0	0	0	0	114	K634 I796 H797	K634-G799 WeakPolarHBondContact CB-O 3.37Å; K634-G799 WeakPolarHBondContact CD-O 3.42Å; K634-G799 WeakPolarHBondContact CG-O 3.47Å; K634-G799 VanDerWaalsContact O-CA 3.29Å; K634-G799 WeakPolarHBondContact O-CA 3.39Å; I796-G799 PolarHBondContact O-N 2.77Å; H797-G799 VanDerWaalsContact C-N 3.27Å; H797-G799 PolarHBondContact O-N 3.47Å
800	E	91.6	Very high	90.7	Very high	96 Å²	96	49.2 Å²	49.2	45%	0.449	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-43	-179.6	-65.2	172	-167.5	0	0	111.1	K634 Y671 H797 M798	K634-E800 PolarHBondContact NZ-O 3.06Å; Y671-E800 HydrophobicContact CE2-CB 4.21Å; Y671-E800 VanDerWaalsContact CE2-OE2 3.22Å; Y671-E800 WeakPolarHBondContact CE2-OE2 3.4Å; Y671-E800 PolarHBondContact OH-OE2 3.29Å; H797-E800 PolarHBondContact O-N 3.18Å; M798-E800 VanDerWaalsContact C-N 3.33Å
801	I	90.8	Very high	90.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	-70.1	160.1	-179	52.2	-179.3	0	0	0	115.1	K634 K670 Y671 E674 H797 M798 P804	K634-I801 WeakPolarHBondContact CE-O 3.44Å; K634-I801 PolarHBondContact NZ-O 3.44Å; K670-I801 HydrophobicContact CG-CD1 3.85Å; Y671-I801 HydrophobicContact CD2-CG2 3.85Å; E674-I801 HydrophobicContact CB-CG2 4.01Å; E674-I801 HydrophobicContact CG-CG2 4.42Å; E674-I801 WeakPolarHBondContact OE2-CB 3.49Å; H797-I801 PolarHBondContact O-N 2.92Å; M798-I801 WeakPolarHBondContact O-CG1 3.33Å; I801-P804 HydrophobicContact CD1-CB 3.83Å; I801-P804 HydrophobicContact CG1-CB 3.94Å
802	E	84.3	Confident	89.8	Confident	113 Å²	113	50.2 Å²	50.2	53%	0.528	25%	0.251	S	S	.	.	S	Bend	trans	-81.7	-40.3	-178.4	-72	-59.3	109.4	0	0	113.1	K634 E674 P804	K634-E802 IonicContact NZ-OE1 2.72Å; K634-E802 PolarHBondContact NZ-OE1 3.3Å; E674-E802 PolarHBondContact OE2-N 2.92Å; E802-P804 VanDerWaalsContact C-CD 3.42Å; E802-P804 VanDerWaalsContact O-CD 3.31Å; E802-P804 WeakPolarHBondContact O-CD 3.4Å
803	H	84.3	Confident	89.6	Confident	105 Å²	105	45.3 Å²	45.3	49%	0.486	23%	0.23	S	C	.	.			trans	-122.9	64.6	-172.7	-61.1	83.9	0	0	0	112.3	K670 E674 W805	K670-H803 WeakPolarHBondContact CE-O 3.29Å; E674-H803 PolarHBondContact OE1-N 3.48Å; E674-H803 IonicContact OE1-ND1 3.82Å; H803-W805 PolarHBondContact O-N 3.16Å
804	P	88.5	Confident	89.4	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.039	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.5	-167.5	21.9	-32.4	0	0	0	116.5	F637 M798 I801 E802 T813	F637-P804 HydrophobicContact CE2-CG 4.2Å; F637-P804 HydrophobicContact CZ-CB 4.06Å; F637-P804 HydrophobicContact CZ-CG 4Å; M798-P804 HydrophobicContact CB-CB 4.24Å; M798-P804 HydrophobicContact CE-CB 4.16Å; M798-P804 WeakPolarHBondContact CE-O 3.47Å; I801-P804 HydrophobicContact CD1-CB 3.83Å; I801-P804 HydrophobicContact CG1-CB 3.94Å; E802-P804 VanDerWaalsContact C-CD 3.42Å; E802-P804 VanDerWaalsContact O-CD 3.31Å; E802-P804 WeakPolarHBondContact O-CD 3.4Å; P804-T813 WeakPolarHBondContact O-CB 3.42Å; P804-T813 WeakPolarHBondContact O-CG2 3.48Å; P804-T813 PolarHBondContact O-OG1 2.8Å
805	W	89.4	Confident	89.1	Confident	31 Å²	31	40.7 Å²	40.7	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-23.7	-164.9	-41.7	118.9	0	0	0	116.6	E625 L628 R629 I632 F637 H803 P812 T813 M814	E625-W805 HydrophobicContact CG-CB 4.41Å; L628-W805 HydrophobicContact CB-CD2 4.24Å; L628-W805 HydrophobicContact CB-CE3 3.8Å; L628-W805 HydrophobicContact CB-CH2 4.32Å; L628-W805 HydrophobicContact CB-CZ3 3.85Å; L628-W805 HydrophobicContact CD1-CE3 4.17Å; R629-W805 HydrophobicContact CB-CZ2 4.48Å; I632-W805 HydrophobicContact CB-CH2 3.82Å; I632-W805 HydrophobicContact CB-CZ3 4.42Å; I632-W805 HydrophobicContact CG2-CH2 3.89Å; I632-W805 HydrophobicContact CG2-CZ3 4.42Å; F637-W805 HydrophobicContact CE1-CZ3 4.49Å; F637-W805 HydrophobicContact CE2-CH2 4.22Å; F637-W805 AromaticContact CZ-CH2 3.72Å; F637-W805 HydrophobicContact CZ-CH2 3.72Å; F637-W805 AromaticContact CZ-CZ3 3.74Å; F637-W805 HydrophobicContact CZ-CZ3 3.74Å; H803-W805 PolarHBondContact O-N 3.16Å; W805-P812 WeakPolarHBondContact O-CA 3.43Å; W805-T813 WeakPolarHBondContact CA-OG1 3.49Å; W805-T813 PolarHBondContact O-N 3.13Å; W805-T813 PolarHBondContact O-OG1 3.14Å; W805-T813 VanDerWaalsContact O-OG1 3.08Å; W805-M814 HydrophobicContact CZ3-SD 4.21Å
806	N	88.4	Confident	88.8	Confident	36 Å²	36	42 Å²	42	19%	0.193	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-142.4	138.6	-175	-90.1	-47.6	0	0	0	111.1	E625 K670 R811 P812	E625-N806 PolarHBondContact OE1-ND2 2.98Å; E625-N806 PolarHBondContact OE2-ND2 3.32Å; K670-N806 WeakPolarHBondContact CD-O 3.44Å; K670-N806 WeakPolarHBondContact CE-O 3.35Å; N806-R811 WeakPolarHBondContact CA-O 3.31Å; N806-R811 VanDerWaalsContact OD1-C 3.29Å; N806-R811 PolarHBondContact OD1-O 3.5Å; N806-P812 WeakPolarHBondContact OD1-CA 3.45Å; N806-P812 VanDerWaalsContact OD1-CA 3.25Å
807	C	87.8	Confident	88.5	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.047	22%	0.218	C	C	.	.			trans	-72.5	170.1	171.6	94.3	0	0	0	0	111.9	A666 E669 H809 G810 R811	A666-C807 HydrophobicContact CB-CB 3.96Å; A666-C807 WeakPolarHBondContact O-CB 3.41Å; E669-C807 WeakPolarHBondContact OE2-CB 3.3Å; E669-C807 PolarHBondContact OE2-SG 3.13Å; C807-H809 PolarHBondContact O-N 3.31Å; C807-H809 VanDerWaalsContact O-N 3.08Å; C807-H809 PolarHBondContact SG-N 2.99Å; C807-G810 PolarHBondContact O-N 3.13Å; C807-R811 PolarHBondContact N-O 3.27Å
808	P	84.3	Confident	88.1	Confident	39 Å²	39	42.8 Å²	42.8	25%	0.253	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.9	-178.8	-22.6	34.9	0	0	0	114.5	E669 F673 A772	E669-P808 HydrophobicContact CG-CG 4.19Å; F673-P808 HydrophobicContact CB-CG 3.48Å; F673-P808 VanDerWaalsContact CB-CG 3.48Å; F673-P808 HydrophobicContact CD1-CB 4.19Å; F673-P808 HydrophobicContact CD1-CG 3.63Å; F673-P808 HydrophobicContact CD2-CB 4.15Å; F673-P808 HydrophobicContact CD2-CG 3.81Å; F673-P808 HydrophobicContact CE1-CB 4.33Å; F673-P808 HydrophobicContact CE1-CG 4.26Å; F673-P808 HydrophobicContact CE2-CB 4.32Å; F673-P808 HydrophobicContact CE2-CG 4.44Å; F673-P808 HydrophobicContact CG-CB 4.07Å; F673-P808 HydrophobicContact CG-CG 3.35Å; F673-P808 HydrophobicContact CZ-CB 4.4Å; A772-P808 HydrophobicContact CB-CB 3.58Å; A772-P808 HydrophobicContact CB-CG 4.31Å
809	H	81.5	Confident	87.6	Confident	123 Å²	123	44.2 Å²	44.2	57%	0.569	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	6.3	177.9	-59.4	103.5	0	0	0	113.7	E669 C807	E669-H809 IonicContact OE1-CE1 2.7Å; E669-H809 PolarHBondContact OE1-CE1 2.89Å; E669-H809 IonicContact OE1-CG 2.94Å; E669-H809 IonicContact OE1-ND1 3.86Å; E669-H809 PolarHBondContact OE1-ND1 3.06Å; C807-H809 PolarHBondContact O-N 3.31Å; C807-H809 VanDerWaalsContact O-N 3.08Å; C807-H809 PolarHBondContact SG-N 2.99Å
810	G	81.6	Confident	87.2	Confident	50 Å²	50	46.9 Å²	46.9	52%	0.515	24%	0.243	S	C	.	.	S	Bend	trans	78.7	19.8	178.8	0	0	0	0	0	115.1	C807	C807-G810 PolarHBondContact O-N 3.13Å
811	R	84.7	Confident	86.5	Confident	91 Å²	91	45.7 Å²	45.7	34%	0.343	24%	0.238	S	C	.	.			trans	-83	127.6	170.5	-177.9	174.6	174	167.2	-3.8	109.4	D663 A666 N806 C807 T813	D663-R811 IonicContact OD1-CZ 3.83Å; D663-R811 IonicContact OD1-NE 3.97Å; D663-R811 IonicContact OD1-NH2 3.64Å; D663-R811 PolarHBondContact OD1-NH2 3.35Å; D663-R811 IonicContact OD2-CZ 2.68Å; D663-R811 IonicContact OD2-NE 2.66Å; D663-R811 PolarHBondContact OD2-NE 2.84Å; D663-R811 IonicContact OD2-NH2 3.82Å; D663-R811 PolarHBondContact OD2-NH2 3.48Å; A666-R811 HydrophobicContact CB-CB 4.41Å; A666-R811 HydrophobicContact CB-CG 4.06Å; N806-R811 WeakPolarHBondContact CA-O 3.31Å; N806-R811 VanDerWaalsContact OD1-C 3.29Å; N806-R811 PolarHBondContact OD1-O 3.5Å; C807-R811 PolarHBondContact N-O 3.27Å; R811-T813 PolarHBondContact O-N 3.04Å
812	P	89.2	Confident	85.6	Confident	32 Å²	32	50 Å²	50	21%	0.208	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-60	133.1	174.3	-23.1	33	0	0	0	111.5	W805 N806	W805-P812 WeakPolarHBondContact O-CA 3.43Å; N806-P812 WeakPolarHBondContact OD1-CA 3.45Å; N806-P812 VanDerWaalsContact OD1-CA 3.25Å
813	T	92.8	Very high	84.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.012	26%	0.263	C	S	.	.	S	Bend	trans	-85.7	-29.5	178.1	56.4	0	0	0	0	112.7	I662 D663 A666 K670 P804 W805 R811	I662-T813 CarbonylContact C-O 3.56Å; I662-T813 VanDerWaalsContact CA-O 3.29Å; I662-T813 WeakPolarHBondContact CA-O 3.26Å; D663-T813 PolarHBondContact N-O 2.96Å; A666-T813 HydrophobicContact CB-CG2 4.22Å; K670-T813 HydrophobicContact CB-CG2 4.34Å; P804-T813 WeakPolarHBondContact O-CB 3.42Å; P804-T813 WeakPolarHBondContact O-CG2 3.48Å; P804-T813 PolarHBondContact O-OG1 2.8Å; W805-T813 WeakPolarHBondContact CA-OG1 3.49Å; W805-T813 PolarHBondContact O-N 3.13Å; W805-T813 PolarHBondContact O-OG1 3.14Å; W805-T813 VanDerWaalsContact O-OG1 3.08Å; R811-T813 PolarHBondContact O-N 3.04Å
814	M	91.9	Very high	83.7	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.2	-172.9	172.4	178	-81	0	0	110.7	L628 F637 M640 F660 M661 I662 M798 W805	L628-M814 HydrophobicContact CD1-CG 4.32Å; L628-M814 HydrophobicContact CD2-CG 4.32Å; L628-M814 HydrophobicContact CD2-SD 4.01Å; F637-M814 HydrophobicContact CD1-CE 4.16Å; F637-M814 HydrophobicContact CE1-CE 3.62Å; F637-M814 HydrophobicContact CE1-SD 4.23Å; M640-M814 HydrophobicContact CE-CE 3.77Å; M640-M814 HydrophobicContact CE-SD 4.49Å; M640-M814 HydrophobicContact SD-CE 3.88Å; F660-M814 HydrophobicContact CB-CE 4.47Å; F660-M814 HydrophobicContact CB-CG 4.41Å; F660-M814 HydrophobicContact CD1-CG 4.09Å; F660-M814 HydrophobicContact CD1-SD 3.95Å; F660-M814 HydrophobicContact CG-SD 4.47Å; M661-M814 CarbonylContact O-C 3.53Å; M661-M814 WeakPolarHBondContact O-CA 3.43Å; I662-M814 HydrophobicContact CD1-CE 3.4Å; I662-M814 HydrophobicContact CG1-CB 4.45Å; I662-M814 HydrophobicContact CG1-CE 3.54Å; I662-M814 HydrophobicContact CG1-CG 4.35Å; M798-M814 HydrophobicContact CE-CB 4.19Å; M798-M814 HydrophobicContact SD-CE 4.16Å; M798-M814 HydrophobicContact CE-CE 4.33Å; W805-M814 HydrophobicContact CZ3-SD 4.21Å
815	R	90.1	Very high	81.9	Confident	30 Å²	30	56.1 Å²	56.1	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.8	165.3	-68.5	-62.6	171.8	113.6	1.3	111.4	N621 F660 M661	N621-R815 PolarHBondContact OD1-NH2 2.81Å; F660-R815 CarbonylContact C-O 3.46Å; F660-R815 VanDerWaalsContact CA-O 3.25Å; F660-R815 WeakPolarHBondContact CA-O 3.49Å; M661-R815 PolarHBondContact N-O 2.99Å; M661-R815 PolarHBondContact O-N 3.46Å
816	H	89.8	Confident	79.6	Confident	29 Å²	29	65.9 Å²	65.9	13%	0.134	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.1	160.9	-173.9	-100.4	0	0	0	109.1	F612 D658 F660 A818	F612-H816 HydrophobicContact CB-CB 4.08Å; F612-H816 HydrophobicContact CD1-CB 4.43Å; F612-H816 AromaticContact CD2-CD2 3.43Å; F612-H816 VanDerWaalsContact CD2-CD2 3.43Å; F612-H816 WeakPolarHBondContact CD2-CD2 3.35Å; F612-H816 AromaticContact CD2-NE2 3.64Å; F612-H816 HydrophobicContact CG-CB 4.18Å; F612-H816 AromaticContact CG-CD2 3.57Å; F612-H816 AromaticContact CG-CG 3.81Å; F612-H816 AromaticContact CG-NE2 3.96Å; D658-H816 IonicContact OD1-CD2 3.22Å; D658-H816 IonicContact OD1-CE1 2.72Å; D658-H816 IonicContact OD1-NE2 2.6Å; D658-H816 PolarHBondContact OD1-NE2 3.18Å; F660-H816 HydrophobicContact CD1-CB 4.19Å; F660-H816 HydrophobicContact CE1-CB 4.05Å; F660-H816 AromaticContact CE1-CD2 3.84Å; F660-H816 AromaticContact CZ-CD2 3.86Å; H816-A818 PolarHBondContact CE1-O 2.58Å; H816-A818 PolarHBondContact NE2-O 3.33Å
817	L	87.9	Confident	79.2	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.356	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-52.3	174.4	-71.3	-173.2	0	0	0	111.6	I616 I652 I659 M661	I616-L817 HydrophobicContact CD1-CD2 3.85Å; I652-L817 HydrophobicContact CD1-CD1 4.26Å; I659-L817 HydrophobicContact CG2-CB 4.3Å; I659-L817 HydrophobicContact CG2-CD1 4.13Å; I659-L817 PolarHBondContact O-N 3.43Å; M661-L817 HydrophobicContact CB-CD1 3.91Å; M661-L817 HydrophobicContact CB-CD2 3.86Å; M661-L817 HydrophobicContact CB-CG 3.79Å; M661-L817 HydrophobicContact CE-CD2 4.29Å; M661-L817 HydrophobicContact SD-CD2 4.35Å
818	A	86.1	Confident	78.7	Confident	26 Å²	26	70.6 Å²	70.6	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	160.9	-170	0	0	0	0	0	111.3	I659 H816 I823	I659-A818 PolarHBondContact N-O 3.1Å; H816-A818 PolarHBondContact CE1-O 2.58Å; H816-A818 PolarHBondContact NE2-O 3.33Å; A818-I823 HydrophobicContact CB-CD1 3.9Å
819	N	84.7	Confident	78.4	Confident	29 Å²	29	72.3 Å²	72.3	16%	0.155	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.5	163.6	-175.5	-65.4	0	0	0	108.7	S657 D658 E821 I822	S657-N819 CarbonylContact O-C 3.51Å; S657-N819 WeakPolarHBondContact O-CA 3.41Å; D658-N819 WeakPolarHBondContact OD1-CB 3.37Å; D658-N819 PolarHBondContact OD1-ND2 2.62Å; D658-N819 PolarHBondContact OD2-ND2 3.22Å; N819-E821 WeakPolarHBondContact OD1-CB 3.38Å; N819-E821 PolarHBondContact OD1-N 3.28Å; N819-E821 PolarHBondContact O-N 3.07Å; N819-E821 VanDerWaalsContact C-N 3.33Å; N819-I822 HydrophobicContact CB-CD1 3.97Å; N819-I822 HydrophobicContact CB-CG1 4.12Å; N819-I822 WeakPolarHBondContact O-CB 3.47Å; N819-I822 PolarHBondContact O-N 3.1Å
820	L	82.1	Confident	78.2	Confident	65 Å²	65	69.4 Å²	69.4	34%	0.34	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-32.3	-174.4	-72.3	169.8	0	0	0	113.1	K654 S657 I659 I822 I823 S824	K654-L820 HydrophobicContact CD-CD1 4.15Å; S657-L820 PolarHBondContact O-N 3.23Å; I659-L820 HydrophobicContact CD1-CD1 4.16Å; I659-L820 HydrophobicContact CD1-CD2 3.83Å; I659-L820 HydrophobicContact CD1-CG 3.94Å; I659-L820 HydrophobicContact CG1-CD1 4.38Å; I659-L820 HydrophobicContact CG1-CG 4.29Å; L820-I822 PolarHBondContact O-N 3.3Å; L820-I823 PolarHBondContact O-N 2.76Å; L820-S824 PolarHBondContact O-N 2.92Å; L820-S824 PolarHBondContact O-OG 2.9Å
821	E	77	Confident	78	Confident	72 Å²	72	70.6 Å²	70.6	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-68.9	-16.3	178	-63.3	174.6	-145.5	0	0	112.9	L607 S657 N819	L607-E821 HydrophobicContact CD2-CB 3.77Å; L607-E821 WeakPolarHBondContact CD2-OE2 3.45Å; S657-E821 VanDerWaalsContact CB-OE1 3.28Å; S657-E821 WeakPolarHBondContact CB-OE1 3.43Å; S657-E821 PolarHBondContact OG-OE1 3.31Å; N819-E821 WeakPolarHBondContact OD1-CB 3.38Å; N819-E821 PolarHBondContact OD1-N 3.28Å; N819-E821 PolarHBondContact O-N 3.07Å; N819-E821 VanDerWaalsContact C-N 3.33Å
822	I	71.3	Confident	77.6	Confident	93 Å²	93	69.2 Å²	69.2	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-84	-29.1	172.5	-56.4	179.8	0	0	0	110.7	N819 L820	N819-I822 HydrophobicContact CB-CD1 3.97Å; N819-I822 HydrophobicContact CB-CG1 4.12Å; N819-I822 WeakPolarHBondContact O-CB 3.47Å; N819-I822 PolarHBondContact O-N 3.1Å; L820-I822 PolarHBondContact O-N 3.3Å
823	I	68.3	Low	76.7	Confident	115 Å²	115	71.9 Å²	71.9	59%	0.59	38%	0.381	S	S	*	.	H	α-helix	trans	-86.8	-34.3	-177.6	-62.8	174.5	0	0	0	111.2	A818 L820 Q825	A818-I823 HydrophobicContact CB-CD1 3.9Å; L820-I823 PolarHBondContact O-N 2.76Å; I823-Q825 VanDerWaalsContact C-N 3.3Å; I823-Q825 PolarHBondContact O-N 3.46Å
824	S	59.6	Low	75.5	Confident	90 Å²	90	77.2 Å²	77.2	63%	0.629	41%	0.409	S	S	*	.			trans	-83.2	59.7	-177.5	69.1	0	0	0	0	113.5	L820	L820-S824 PolarHBondContact O-N 2.92Å; L820-S824 PolarHBondContact O-OG 2.9Å
825	Q	51.4	Low	74.1	Confident	146 Å²	146	83.3 Å²	83.3	68%	0.682	44%	0.441	S	S	*	.			trans	-112.9	15.6	178.5	-65.2	-156.9	4.6	0	0	115.4	I823	I823-Q825 VanDerWaalsContact C-N 3.3Å; I823-Q825 PolarHBondContact O-N 3.46Å
826	D	41.3	Very low	72.7	Confident	237 Å²	237	88.2 Å²	88.2	100%	1.267	47%	0.471	S	S	*	.			trans	-104.1	0	165.1	-65.3	-50.4	0	0	0	110.7

Retrieved 826 of 826 residues in 1708.1 ms (Link to these results)

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