A0A061I7W4_CRIGR Loading...

DNA mismatch repair protein MLH1

AlphaFold DB , UniProt , Accession A0A061I7W4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mlh1, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	75.2	Confident	236 Å²	236	153.8 Å²	153.8	100%	1.163	82%	0.821	S	S	*	*				0	147.9	0	-69.6	171.1	173.5	0	0	107.8
2	A	48.8	Very low	76.5	Confident	90 Å²	90	149.1 Å²	149.1	74%	0.744	80%	0.795	S	S	*	*			trans	-77.1	132.8	171.5	0	0	0	0	0	109.7	V4	A2-V4 PolarHBondContact O-N 3.4Å; A2-V4 VanDerWaalsContact O-N 3.15Å
3	F	52.3	Low	77.1	Confident	214 Å²	214	149.5 Å²	149.5	94%	0.939	79%	0.79	S	S	*	*			trans	-77.5	97.6	173.8	-74.6	-84.4	0	0	0	109.4
4	V	74	Confident	77.6	Confident	132 Å²	132	143.7 Å²	143.7	80%	0.8	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-83	130.8	172.5	-176.5	0	0	0	0	108.7	A2	A2-V4 PolarHBondContact O-N 3.4Å; A2-V4 VanDerWaalsContact O-N 3.15Å
5	A	69.4	Low	78	Confident	90 Å²	90	138.5 Å²	138.5	74%	0.744	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-61.9	136.9	177.5	0	0	0	0	0	111.6
6	G	84.7	Confident	78.5	Confident	71 Å²	71	134 Å²	134	73%	0.732	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-69.3	137.2	179.7	0	0	0	0	0	112.5	I8	G6-I8 PolarHBondContact O-N 3.12Å
7	V	89.1	Confident	78.8	Confident	118 Å²	118	128.3 Å²	128.3	72%	0.715	69%	0.687	S	S	*	*			trans	-78.1	113.1	176.8	-179.3	0	0	0	0	110
8	I	90.7	Very high	79	Confident	165 Å²	165	125.9 Å²	125.9	85%	0.846	67%	0.667	S	S	*	*			trans	-62	135.6	175.4	-57.5	174	0	0	0	110	G6	G6-I8 PolarHBondContact O-N 3.12Å
9	R	90.8	Very high	79.2	Confident	211 Å²	211	123.8 Å²	123.8	80%	0.796	66%	0.655	S	S	*	*			trans	-138.9	153	177.9	-63.5	-177.9	-176.8	-169.6	-0.2	110.1
10	R	90.2	Very high	79.3	Confident	248 Å²	248	118.6 Å²	118.6	94%	0.936	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-68.9	142.1	168.5	-66.8	-175.1	179.3	-174.7	-0.8	109.6
11	L	90.3	Very high	79.5	Confident	117 Å²	117	113 Å²	113	61%	0.613	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-79.5	159.2	169.9	-64.8	177	0	0	0	110.5	V16	L11-V16 HydrophobicContact CB-CG2 3.75Å; L11-V16 HydrophobicContact CD1-CG2 4.33Å
12	D	90.4	Very high	81	Confident	97 Å²	97	101.9 Å²	101.9	52%	0.519	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-68.5	137.6	169.6	-174.3	-70.1	0	0	0	110.4	T14 V15 V16	D12-T14 PolarHBondContact O-N 3.32Å; D12-T14 VanDerWaalsContact OD1-CB 3.29Å; D12-T14 WeakPolarHBondContact OD1-CB 3.47Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.48Å; D12-T14 PolarHBondContact OD1-N 3.06Å; D12-T14 PolarHBondContact OD1-OG1 3.39Å; D12-V15 HydrophobicContact CB-CB 4.48Å; D12-V15 HydrophobicContact CB-CG2 4.12Å; D12-V15 WeakPolarHBondContact O-CA 3.42Å; D12-V15 WeakPolarHBondContact O-CB 3.45Å; D12-V15 PolarHBondContact O-N 3.29Å; D12-V16 PolarHBondContact O-N 3.21Å
13	E	85.3	Confident	82.6	Confident	155 Å²	155	102.4 Å²	102.4	72%	0.724	53%	0.534	S	S	*	.	H	α-helix	trans	-59.5	-32.3	-177.5	-65	-179	175.3	0	0	112.9	V15 V16 N17	E13-V15 VanDerWaalsContact C-N 3.29Å; E13-V15 PolarHBondContact O-N 3.49Å; E13-V16 PolarHBondContact O-N 3.31Å; E13-N17 WeakPolarHBondContact O-CB 3.4Å; E13-N17 VanDerWaalsContact O-CG 3.22Å; E13-N17 PolarHBondContact O-N 2.88Å; E13-N17 PolarHBondContact O-ND2 3.34Å
14	T	82.9	Confident	84.2	Confident	68 Å²	68	92.8 Å²	92.8	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-32.1	175.7	67.9	0	0	0	0	111.9	D12 R18	D12-T14 PolarHBondContact O-N 3.32Å; D12-T14 VanDerWaalsContact OD1-CB 3.29Å; D12-T14 WeakPolarHBondContact OD1-CB 3.47Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.48Å; D12-T14 PolarHBondContact OD1-N 3.06Å; D12-T14 PolarHBondContact OD1-OG1 3.39Å; T14-R18 WeakPolarHBondContact O-CB 3.43Å; T14-R18 WeakPolarHBondContact O-CD 3.42Å; T14-R18 WeakPolarHBondContact O-CG 3.35Å; T14-R18 PolarHBondContact O-N 3.11Å
15	V	83.7	Confident	84.9	Confident	66 Å²	66	86.5 Å²	86.5	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-73.5	-46.2	174.6	177.3	0	0	0	0	110	D12 E13 N17 R18 I19	D12-V15 HydrophobicContact CB-CB 4.48Å; D12-V15 HydrophobicContact CB-CG2 4.12Å; D12-V15 WeakPolarHBondContact O-CA 3.42Å; D12-V15 WeakPolarHBondContact O-CB 3.45Å; D12-V15 PolarHBondContact O-N 3.29Å; E13-V15 VanDerWaalsContact C-N 3.29Å; E13-V15 PolarHBondContact O-N 3.49Å; V15-N17 PolarHBondContact O-N 3.22Å; V15-R18 PolarHBondContact O-N 3.05Å; V15-I19 HydrophobicContact CG1-CD1 3.79Å; V15-I19 HydrophobicContact CG1-CG1 4.45Å; V15-I19 VanDerWaalsContact O-CG1 3.31Å; V15-I19 WeakPolarHBondContact O-CG1 3.36Å; V15-I19 PolarHBondContact O-N 3.47Å
16	V	85.8	Confident	85.8	Confident	66 Å²	66	86.2 Å²	86.2	40%	0.4	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-47.6	176.9	176.4	0	0	0	0	111.3	L11 D12 E13 R18 I19 A20	L11-V16 HydrophobicContact CB-CG2 3.75Å; L11-V16 HydrophobicContact CD1-CG2 4.33Å; D12-V16 PolarHBondContact O-N 3.21Å; E13-V16 PolarHBondContact O-N 3.31Å; V16-R18 PolarHBondContact O-N 2.79Å; V16-I19 PolarHBondContact O-N 3.03Å; V16-A20 PolarHBondContact O-N 3.1Å
17	N	84.3	Confident	86.1	Confident	37 Å²	37	87.5 Å²	87.5	20%	0.198	42%	0.421	C	S	.	.	H	α-helix	trans	-64.6	-37.6	179.5	-70.4	-17.4	0	0	0	112.4	E13 V15 A21 R79 H109	E13-N17 WeakPolarHBondContact O-CB 3.4Å; E13-N17 VanDerWaalsContact O-CG 3.22Å; E13-N17 PolarHBondContact O-N 2.88Å; E13-N17 PolarHBondContact O-ND2 3.34Å; V15-N17 PolarHBondContact O-N 3.22Å; N17-A21 WeakPolarHBondContact O-CB 3.24Å; N17-A21 PolarHBondContact O-N 3.08Å; N17-R79 WeakPolarHBondContact OD1-CD 3.32Å; N17-R79 PolarHBondContact OD1-NH1 2.66Å; N17-H109 VanDerWaalsContact CB-CD2 3.47Å; N17-H109 WeakPolarHBondContact CB-CD2 3.45Å; N17-H109 WeakPolarHBondContact CB-NE2 3.36Å; N17-H109 PolarHBondContact ND2-NE2 3.07Å
18	R	82.4	Confident	86.4	Confident	85 Å²	85	81.9 Å²	81.9	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-72.7	-32.4	177.4	-73.6	171.8	179.6	177.5	-1.5	113.2	T14 V15 V16 G22 H109 D132	T14-R18 WeakPolarHBondContact O-CB 3.43Å; T14-R18 WeakPolarHBondContact O-CD 3.42Å; T14-R18 WeakPolarHBondContact O-CG 3.35Å; T14-R18 PolarHBondContact O-N 3.11Å; V15-R18 PolarHBondContact O-N 3.05Å; V16-R18 PolarHBondContact O-N 2.79Å; R18-G22 PolarHBondContact O-N 3.44Å; R18-H109 HydrophobicContact CG-CB 4.34Å; R18-D132 IonicContact CZ-OD1 2.75Å; R18-D132 IonicContact NE-OD1 2.99Å; R18-D132 PolarHBondContact NE-OD1 3.31Å; R18-D132 IonicContact NH2-OD1 2.86Å; R18-D132 PolarHBondContact NH2-OD1 3.1Å; R18-D132 IonicContact NH2-OD2 2.8Å; R18-D132 PolarHBondContact NH2-OD2 2.93Å
19	I	83.6	Confident	86.5	Confident	87 Å²	87	74.6 Å²	74.6	45%	0.446	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-55.5	171.7	-69.6	167.1	0	0	0	109.8	V15 V16 A21 G22 E23	V15-I19 HydrophobicContact CG1-CD1 3.79Å; V15-I19 HydrophobicContact CG1-CG1 4.45Å; V15-I19 VanDerWaalsContact O-CG1 3.31Å; V15-I19 WeakPolarHBondContact O-CG1 3.36Å; V15-I19 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 3.03Å; I19-A21 PolarHBondContact O-N 2.99Å; I19-G22 CarbonylContact O-C 3.58Å; I19-G22 VanDerWaalsContact O-CA 3.23Å; I19-G22 WeakPolarHBondContact O-CA 3.18Å; I19-G22 PolarHBondContact O-N 2.89Å; I19-E23 PolarHBondContact O-N 2.86Å; I19-E23 VanDerWaalsContact O-N 3.14Å
20	A	80.4	Confident	86.5	Confident	18 Å²	18	66.2 Å²	66.2	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-37.7	-178.3	0	0	0	0	0	112.9	V16 G22 E23 V24	V16-A20 PolarHBondContact O-N 3.1Å; A20-G22 PolarHBondContact O-N 3.46Å; A20-E23 WeakPolarHBondContact O-CB 3.45Å; A20-E23 PolarHBondContact O-N 3.31Å; A20-V24 PolarHBondContact O-N 2.98Å
21	A	83.5	Confident	86.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-33.2	170	0	0	0	0	0	112.2	N17 I19 E23 I25 S106 H109 V110	N17-A21 WeakPolarHBondContact O-CB 3.24Å; N17-A21 PolarHBondContact O-N 3.08Å; I19-A21 PolarHBondContact O-N 2.99Å; A21-E23 VanDerWaalsContact C-N 3.34Å; A21-I25 WeakPolarHBondContact O-CB 3.32Å; A21-I25 PolarHBondContact O-N 2.81Å; A21-S106 WeakPolarHBondContact CB-O 3.39Å; A21-H109 HydrophobicContact CB-CB 3.85Å; A21-V110 HydrophobicContact CB-CG1 4.06Å
22	G	79.4	Confident	86.8	Confident	4 Å²	4	48.8 Å²	48.8	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-73	-17.2	172.7	0	0	0	0	0	114.9	R18 I19 A20 R162	R18-G22 PolarHBondContact O-N 3.44Å; I19-G22 CarbonylContact O-C 3.58Å; I19-G22 VanDerWaalsContact O-CA 3.23Å; I19-G22 WeakPolarHBondContact O-CA 3.18Å; I19-G22 PolarHBondContact O-N 2.89Å; A20-G22 PolarHBondContact O-N 3.46Å; G22-R162 VanDerWaalsContact CA-NH1 3.3Å; G22-R162 PolarHBondContact O-NH1 3.38Å; G22-R162 PolarHBondContact O-NH2 3.42Å
23	E	82.7	Confident	86.9	Confident	100 Å²	100	44.8 Å²	44.8	47%	0.467	23%	0.226	S	C	.	.	H	α-helix	trans	-83.7	-41.1	174	-69.1	158.9	-175.5	0	0	110.7	I19 A20 A21 Q26	I19-E23 PolarHBondContact O-N 2.86Å; I19-E23 VanDerWaalsContact O-N 3.14Å; A20-E23 WeakPolarHBondContact O-CB 3.45Å; A20-E23 PolarHBondContact O-N 3.31Å; A21-E23 VanDerWaalsContact C-N 3.34Å; E23-Q26 WeakPolarHBondContact O-CG 3.37Å; E23-Q26 PolarHBondContact O-NE2 2.97Å; E23-Q26 VanDerWaalsContact O-NE2 3.12Å
24	V	84	Confident	87.2	Confident	13 Å²	13	38.1 Å²	38.1	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-48.5	177	-179.4	0	0	0	0	111.9	A20 P309	A20-V24 PolarHBondContact O-N 2.98Å; V24-P309 HydrophobicContact CG2-CB 4.36Å
25	I	89.6	Confident	87.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.			trans	-105.9	85.8	-175.9	-52.9	-61.8	0	0	0	110	A21 A31 E34 I107 V110 L155 F156 R162	A21-I25 WeakPolarHBondContact O-CB 3.32Å; A21-I25 PolarHBondContact O-N 2.81Å; I25-A31 HydrophobicContact CD1-CB 4.38Å; I25-A31 HydrophobicContact CG2-CB 4.19Å; I25-E34 HydrophobicContact CD1-CG 4.45Å; I25-I107 HydrophobicContact CD1-CD1 4.29Å; I25-I107 HydrophobicContact CD1-CG1 3.72Å; I25-I107 HydrophobicContact CG1-CG1 3.84Å; I25-V110 HydrophobicContact CB-CG2 4.49Å; I25-V110 HydrophobicContact CG2-CG2 4.36Å; I25-L155 HydrophobicContact CG2-CD1 4.36Å; I25-F156 HydrophobicContact CG2-CE1 4.33Å; I25-F156 HydrophobicContact CG2-CZ 4.17Å; I25-F156 VanDerWaalsContact O-CE1 3.27Å; I25-F156 WeakPolarHBondContact O-CE1 3.4Å; I25-F156 VanDerWaalsContact O-CZ 3.27Å; I25-F156 WeakPolarHBondContact O-CZ 3.32Å; I25-R162 PolarHBondContact O-NH1 3.46Å
26	Q	88.5	Confident	88.2	Confident	83 Å²	83	31.7 Å²	31.7	39%	0.388	16%	0.156	S	C	.	.			trans	-83.4	-40.5	-178.5	-57.4	-174.3	7.1	0	0	113	E23 F156 T310	E23-Q26 WeakPolarHBondContact O-CG 3.37Å; E23-Q26 PolarHBondContact O-NE2 2.97Å; E23-Q26 VanDerWaalsContact O-NE2 3.12Å; Q26-F156 WeakPolarHBondContact O-CZ 3.41Å; Q26-T310 HydrophobicContact CG-CG2 4.27Å
27	R	91.6	Very high	88.4	Confident	99 Å²	99	28.6 Å²	28.6	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-139.2	162.6	-179	-62.7	-170.2	-172.5	-123.1	3.8	111.9	A29 N30 L166 E172	R27-A29 PolarHBondContact O-N 3.45Å; R27-A29 VanDerWaalsContact O-N 3.14Å; R27-N30 WeakPolarHBondContact CB-OD1 3.38Å; R27-N30 PolarHBondContact N-OD1 3Å; R27-N30 WeakPolarHBondContact O-CB 3.25Å; R27-N30 PolarHBondContact O-N 2.78Å; R27-N30 PolarHBondContact O-OD1 2.91Å; R27-L166 HydrophobicContact CG-CD2 4.15Å; R27-E172 WeakPolarHBondContact CD-OE2 3.44Å; R27-E172 IonicContact CZ-OE1 2.73Å; R27-E172 IonicContact NH1-OE1 3.21Å; R27-E172 PolarHBondContact NH1-OE1 2.95Å
28	P	93.6	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-45.6	-39.9	169.7	-30.6	33.8	0	0	0	114.7	N30 A31 I32 G54 L56 I59 L155 E172 I176	P28-N30 VanDerWaalsContact C-N 3.31Å; P28-N30 PolarHBondContact O-N 3.37Å; P28-A31 PolarHBondContact O-N 3.05Å; P28-I32 PolarHBondContact O-N 3.01Å; P28-G54 WeakPolarHBondContact CB-O 3.23Å; P28-G54 WeakPolarHBondContact CG-O 3.35Å; P28-L56 HydrophobicContact CG-CD2 3.97Å; P28-L56 HydrophobicContact CG-CG 4.47Å; P28-I59 HydrophobicContact CB-CD1 4.14Å; P28-L155 HydrophobicContact CB-CD2 4.27Å; P28-L155 HydrophobicContact CG-CD2 3.89Å; P28-E172 HydrophobicContact CG-CB 4.38Å; P28-I176 HydrophobicContact CB-CD1 3.91Å; P28-I176 HydrophobicContact CB-CG1 4.44Å
29	A	93.3	Very high	89.3	Confident	11 Å²	11	24.8 Å²	24.8	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-29.7	179.1	0	0	0	0	0	113.8	R27 K33 K175 I176 V179	R27-A29 PolarHBondContact O-N 3.45Å; R27-A29 VanDerWaalsContact O-N 3.14Å; A29-K33 PolarHBondContact O-N 3.42Å; A29-K175 HydrophobicContact CB-CB 3.95Å; A29-I176 HydrophobicContact CB-CG1 4.34Å; A29-V179 HydrophobicContact CB-CG2 4.23Å
30	N	90.9	Very high	89.7	Confident	35 Å²	35	21.4 Å²	21.4	19%	0.187	11%	0.106	C	C	.	.	H	α-helix	trans	-70	-42.8	174.2	-58.3	96	0	0	0	111.2	R27 P28 I32 K33 E34	R27-N30 WeakPolarHBondContact CB-OD1 3.38Å; R27-N30 PolarHBondContact N-OD1 3Å; R27-N30 WeakPolarHBondContact O-CB 3.25Å; R27-N30 PolarHBondContact O-N 2.78Å; R27-N30 PolarHBondContact O-OD1 2.91Å; P28-N30 VanDerWaalsContact C-N 3.31Å; P28-N30 PolarHBondContact O-N 3.37Å; N30-I32 VanDerWaalsContact C-N 3.31Å; N30-I32 PolarHBondContact O-N 3.31Å; N30-K33 WeakPolarHBondContact O-CB 3.37Å; N30-K33 PolarHBondContact O-N 3.12Å; N30-E34 PolarHBondContact O-N 2.77Å
31	A	92.8	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-39.7	175	0	0	0	0	0	111.5	I25 P28 M35 I59 I107	I25-A31 HydrophobicContact CD1-CB 4.38Å; I25-A31 HydrophobicContact CG2-CB 4.19Å; P28-A31 PolarHBondContact O-N 3.05Å; A31-M35 HydrophobicContact CB-CE 4.36Å; A31-M35 WeakPolarHBondContact O-CB 3.32Å; A31-M35 WeakPolarHBondContact O-CE 3.5Å; A31-M35 VanDerWaalsContact O-CG 3.31Å; A31-M35 WeakPolarHBondContact O-CG 3.49Å; A31-M35 PolarHBondContact O-N 3.34Å; A31-I59 HydrophobicContact CB-CD1 4.45Å; A31-I107 HydrophobicContact CB-CD1 4.05Å; A31-I107 HydrophobicContact CB-CG1 4.28Å
32	I	94.6	Very high	90.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-47.4	171.3	-75.8	-68.5	0	0	0	111.9	P28 N30 M35 I36 V49 I59 I176 V179 V180	P28-I32 PolarHBondContact O-N 3.01Å; N30-I32 VanDerWaalsContact C-N 3.31Å; N30-I32 PolarHBondContact O-N 3.31Å; I32-M35 HydrophobicContact CD1-CE 4.44Å; I32-M35 PolarHBondContact O-N 3.35Å; I32-I36 HydrophobicContact CG2-CD1 3.67Å; I32-I36 HydrophobicContact CG2-CG1 4.44Å; I32-I36 WeakPolarHBondContact O-CB 3.49Å; I32-I36 WeakPolarHBondContact O-CG1 3.43Å; I32-I36 PolarHBondContact O-N 2.96Å; I32-V49 HydrophobicContact CD1-CG1 3.52Å; I32-V49 HydrophobicContact CD1-CG2 4.49Å; I32-I59 HydrophobicContact CD1-CG2 3.42Å; I32-I59 VanDerWaalsContact CD1-CG2 3.42Å; I32-I59 HydrophobicContact CG1-CG2 4.18Å; I32-I176 HydrophobicContact CD1-CG2 4.41Å; I32-I176 HydrophobicContact CG1-CD1 4.3Å; I32-I176 HydrophobicContact CG1-CG1 4.07Å; I32-I176 HydrophobicContact CG1-CG2 4.02Å; I32-I176 HydrophobicContact CG2-CG2 4.36Å; I32-V179 HydrophobicContact CG2-CG1 4.11Å; I32-V180 HydrophobicContact CG2-CG2 3.93Å
33	K	92.3	Very high	91.1	Very high	13 Å²	13	31.3 Å²	31.3	6%	0.057	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-56.6	176.9	-177.8	-172.8	174.6	-177.2	0	110.7	A29 N30 M35 I36 E37 V179 Y183 L266 T310 K311	A29-K33 PolarHBondContact O-N 3.42Å; N30-K33 WeakPolarHBondContact O-CB 3.37Å; N30-K33 PolarHBondContact O-N 3.12Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 2.93Å; K33-I36 PolarHBondContact O-N 3.21Å; K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 WeakPolarHBondContact O-CB 3.49Å; K33-E37 WeakPolarHBondContact O-CG 3.29Å; K33-E37 PolarHBondContact O-N 3.35Å; K33-V179 HydrophobicContact CB-CG1 4.21Å; K33-Y183 WeakPolarHBondContact CE-OH 3.49Å; K33-Y183 HydrophobicContact CG-CE2 4.02Å; K33-Y183 WeakPolarHBondContact CG-OH 3.45Å; K33-L266 PolarHBondContact NZ-O 2.95Å; K33-T310 PolarHBondContact NZ-O 3.14Å; K33-T310 VanDerWaalsContact NZ-O 3.07Å; K33-K311 PolarHBondContact NZ-O 2.67Å
34	E	91.3	Very high	91.6	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.065	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-37.2	-178.4	-68.6	-58.9	119.4	0	0	112.7	I25 N30 N38 A103 K311	I25-E34 HydrophobicContact CD1-CG 4.45Å; N30-E34 PolarHBondContact O-N 2.77Å; E34-N38 PolarHBondContact O-N 2.98Å; E34-N38 VanDerWaalsContact O-N 3.13Å; E34-N38 PolarHBondContact O-ND2 3.13Å; E34-A103 HydrophobicContact CB-CB 4.04Å; E34-A103 HydrophobicContact CG-CB 4.27Å; E34-K311 VanDerWaalsContact OE1-CD 3.3Å; E34-K311 WeakPolarHBondContact OE1-CD 3.41Å; E34-K311 IonicContact OE1-NZ 3.68Å; E34-K311 PolarHBondContact OE1-NZ 3.47Å; E34-K311 IonicContact OE2-NZ 2.64Å; E34-K311 PolarHBondContact OE2-NZ 3.42Å
35	M	93.2	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.7	-40.2	177.1	-73.3	-171.6	-67.7	0	0	112.6	A31 I32 K33 N38 C39 I59 I61 I107 I150 V152	A31-M35 HydrophobicContact CB-CE 4.36Å; A31-M35 WeakPolarHBondContact O-CB 3.32Å; A31-M35 WeakPolarHBondContact O-CE 3.5Å; A31-M35 VanDerWaalsContact O-CG 3.31Å; A31-M35 WeakPolarHBondContact O-CG 3.49Å; A31-M35 PolarHBondContact O-N 3.34Å; I32-M35 HydrophobicContact CD1-CE 4.44Å; I32-M35 PolarHBondContact O-N 3.35Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 2.93Å; M35-N38 PolarHBondContact O-N 3.28Å; M35-C39 PolarHBondContact O-N 3.44Å; M35-C39 PolarHBondContact O-SG 3.17Å; M35-I59 HydrophobicContact CE-CG2 3.69Å; M35-I61 HydrophobicContact CB-CD1 4.02Å; M35-I61 HydrophobicContact CB-CG2 4.09Å; M35-I61 HydrophobicContact CG-CG2 4.45Å; M35-I61 HydrophobicContact SD-CG2 3.8Å; M35-I107 HydrophobicContact CG-CD1 4.2Å; M35-I150 HydrophobicContact SD-CB 4.11Å; M35-I150 HydrophobicContact SD-CG2 3.88Å; M35-V152 HydrophobicContact CE-CG2 4.15Å; M35-V152 HydrophobicContact SD-CG2 3.94Å
36	I	94.1	Very high	92.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-43.4	174.3	-72.7	172.2	0	0	0	111	I32 K33 N38 C39 L40 I61 V180 Y183 F192	I32-I36 HydrophobicContact CG2-CD1 3.67Å; I32-I36 HydrophobicContact CG2-CG1 4.44Å; I32-I36 WeakPolarHBondContact O-CB 3.49Å; I32-I36 WeakPolarHBondContact O-CG1 3.43Å; I32-I36 PolarHBondContact O-N 2.96Å; K33-I36 PolarHBondContact O-N 3.21Å; I36-N38 VanDerWaalsContact C-N 3.26Å; I36-N38 PolarHBondContact O-N 3.43Å; I36-C39 PolarHBondContact O-N 2.9Å; I36-C39 VanDerWaalsContact O-N 3.14Å; I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.45Å; I36-L40 PolarHBondContact O-N 2.92Å; I36-I61 HydrophobicContact CG1-CD1 3.75Å; I36-V180 HydrophobicContact CD1-CB 4.38Å; I36-V180 HydrophobicContact CD1-CG1 4.34Å; I36-V180 HydrophobicContact CD1-CG2 3.72Å; I36-Y183 HydrophobicContact CG2-CD1 3.94Å; I36-Y183 HydrophobicContact CG2-CG 4Å; I36-F192 HydrophobicContact CG2-CE1 4.01Å
37	E	91.3	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.4	-41.4	173.6	-76.7	-164.4	174.4	0	0	111.5	K33 L40 D41 Y97 Y183 R265 K311	K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 WeakPolarHBondContact O-CB 3.49Å; K33-E37 WeakPolarHBondContact O-CG 3.29Å; K33-E37 PolarHBondContact O-N 3.35Å; E37-L40 PolarHBondContact O-N 3.49Å; E37-D41 PolarHBondContact O-N 3.33Å; E37-Y97 HydrophobicContact CB-CD1 4.39Å; E37-Y97 HydrophobicContact CB-CG 4.25Å; E37-Y97 HydrophobicContact CG-CD1 3.75Å; E37-Y97 HydrophobicContact CG-CG 4.1Å; E37-Y183 HydrophobicContact CG-CE1 3.96Å; E37-Y183 PolarHBondContact OE1-OH 3.16Å; E37-R265 VanDerWaalsContact CD-NH1 3.31Å; E37-R265 IonicContact OE1-NH1 2.66Å; E37-R265 PolarHBondContact OE1-NH1 2.84Å; E37-R265 IonicContact OE2-NH1 3.59Å; E37-R265 PolarHBondContact OE2-NH1 2.91Å; E37-K311 IonicContact OE2-NZ 2.74Å; E37-K311 PolarHBondContact OE2-NZ 3.46Å
38	N	91.5	Very high	92.9	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-69	-38.5	174.5	-76.1	-60.9	0	0	0	113.9	E34 M35 I36 L40 D41 A42 K84	E34-N38 PolarHBondContact O-N 2.98Å; E34-N38 VanDerWaalsContact O-N 3.13Å; E34-N38 PolarHBondContact O-ND2 3.13Å; M35-N38 PolarHBondContact O-N 3.28Å; I36-N38 VanDerWaalsContact C-N 3.26Å; I36-N38 PolarHBondContact O-N 3.43Å; N38-L40 VanDerWaalsContact C-N 3.32Å; N38-L40 PolarHBondContact O-N 3.11Å; N38-D41 PolarHBondContact O-N 3.38Å; N38-A42 WeakPolarHBondContact O-CB 3.08Å; N38-A42 PolarHBondContact O-N 3.34Å; N38-K84 PolarHBondContact OD1-NZ 2.95Å
39	C	93.4	Very high	93	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-35.6	174.9	-63.8	0	0	0	0	112	M35 I36 A42 K43 S44 I47 D63	M35-C39 PolarHBondContact O-N 3.44Å; M35-C39 PolarHBondContact O-SG 3.17Å; I36-C39 PolarHBondContact O-N 2.9Å; I36-C39 VanDerWaalsContact O-N 3.14Å; C39-A42 PolarHBondContact O-N 3.29Å; C39-K43 PolarHBondContact O-N 2.99Å; C39-S44 WeakPolarHBondContact O-CB 3.29Å; C39-S44 PolarHBondContact O-N 3.31Å; C39-S44 VanDerWaalsContact O-N 3.15Å; C39-S44 PolarHBondContact O-OG 2.75Å; C39-I47 HydrophobicContact CB-CD1 3.71Å; C39-I47 HydrophobicContact CB-CG1 4.02Å; C39-D63 HydrophobicContact CB-CB 4Å; C39-D63 PolarHBondContact SG-OD2 2.71Å
40	L	91.7	Very high	93.2	Very high	16 Å²	16	27.7 Å²	27.7	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-45.5	175.6	-69.1	169.8	0	0	0	111.6	I36 E37 N38 A42 K43 I47 Y97 Y183 N187 I190 F192	I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.45Å; I36-L40 PolarHBondContact O-N 2.92Å; E37-L40 PolarHBondContact O-N 3.49Å; N38-L40 VanDerWaalsContact C-N 3.32Å; N38-L40 PolarHBondContact O-N 3.11Å; L40-A42 PolarHBondContact O-N 3.06Å; L40-K43 WeakPolarHBondContact O-CA 3.46Å; L40-K43 PolarHBondContact O-N 3.15Å; L40-I47 HydrophobicContact CD2-CD1 4.1Å; L40-I47 HydrophobicContact CG-CD1 4.29Å; L40-Y97 HydrophobicContact CB-CD2 4.08Å; L40-Y97 HydrophobicContact CB-CE2 3.78Å; L40-Y97 HydrophobicContact CD1-CE1 4Å; L40-Y97 HydrophobicContact CD1-CE2 4.21Å; L40-Y183 HydrophobicContact CD1-CD1 3.84Å; L40-Y183 HydrophobicContact CD1-CE1 4.39Å; L40-N187 HydrophobicContact CD2-CB 4.37Å; L40-I190 HydrophobicContact CD2-CD1 3.54Å; L40-F192 HydrophobicContact CD2-CZ 4.28Å
41	D	90.3	Very high	93.4	Very high	34 Å²	34	26.1 Å²	26.1	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-34.2	171.7	-74.8	-31.9	0	0	0	112	E37 N38 K43 K84 T96 Y97 G98	E37-D41 PolarHBondContact O-N 3.33Å; N38-D41 PolarHBondContact O-N 3.38Å; D41-K43 PolarHBondContact O-N 3.01Å; D41-K84 WeakPolarHBondContact OD2-CE 3.19Å; D41-K84 IonicContact OD2-NZ 3.94Å; D41-K84 PolarHBondContact OD2-NZ 3.33Å; D41-T96 VanDerWaalsContact OD1-CA 3.31Å; D41-T96 WeakPolarHBondContact OD1-CA 3.28Å; D41-T96 VanDerWaalsContact OD1-CB 3.27Å; D41-T96 WeakPolarHBondContact OD1-CB 3.44Å; D41-Y97 WeakPolarHBondContact OD1-CD2 3Å; D41-Y97 PolarHBondContact OD1-N 2.74Å; D41-Y97 PolarHBondContact OD2-N 3.39Å; D41-G98 PolarHBondContact OD2-N 2.89Å
42	A	90.7	Very high	93.5	Very high	21 Å²	21	29.6 Å²	29.6	17%	0.174	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	9.5	174	0	0	0	0	0	114.6	N38 C39 L40 S44 G65 T66	N38-A42 WeakPolarHBondContact O-CB 3.08Å; N38-A42 PolarHBondContact O-N 3.34Å; C39-A42 PolarHBondContact O-N 3.29Å; L40-A42 PolarHBondContact O-N 3.06Å; A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.31Å; A42-G65 CarbonylContact O-C 3.57Å; A42-G65 WeakPolarHBondContact O-CA 3.32Å; A42-T66 PolarHBondContact O-N 3.34Å
43	K	91.7	Very high	93.4	Very high	175 Å²	175	34.4 Å²	34.4	76%	0.761	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	36.3	177.6	-54.9	-174.3	-177.9	-177.6	0	114.4	C39 L40 D41	C39-K43 PolarHBondContact O-N 2.99Å; L40-K43 WeakPolarHBondContact O-CA 3.46Å; L40-K43 PolarHBondContact O-N 3.15Å; D41-K43 PolarHBondContact O-N 3.01Å
44	S	93.8	Very high	93.2	Very high	2 Å²	2	34 Å²	34	1%	0.014	17%	0.172	C	C	.	.			trans	-70.9	145	178.7	-51.6	0	0	0	0	112.2	C39 A42 D63 G65 I190	C39-S44 WeakPolarHBondContact O-CB 3.29Å; C39-S44 PolarHBondContact O-N 3.31Å; C39-S44 VanDerWaalsContact O-N 3.15Å; C39-S44 PolarHBondContact O-OG 2.75Å; A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.31Å; S44-D63 WeakPolarHBondContact OG-CB 3.23Å; S44-G65 WeakPolarHBondContact OG-CA 3.48Å; S44-G65 PolarHBondContact OG-N 3.03Å; S44-I190 WeakPolarHBondContact O-CD1 3.36Å
45	T	93.7	Very high	93.2	Very high	84 Å²	84	33.4 Å²	33.4	52%	0.515	17%	0.169	S	C	.	.	S	Bend	trans	-113.7	-11	177.5	51.5	0	0	0	0	113.4	N64 S191	T45-N64 PolarHBondContact N-OD1 3.32Å; T45-N64 PolarHBondContact OG1-ND2 2.97Å; T45-N64 PolarHBondContact OG1-OD1 2.81Å; T45-S191 PolarHBondContact O-N 3.28Å
46	N	94.8	Very high	93.1	Very high	53 Å²	53	34.1 Å²	34.1	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.9	175.1	-173.2	-19	0	0	0	109	Q48 D63 N64 S191	N46-Q48 WeakPolarHBondContact OD1-CG 3.42Å; N46-Q48 PolarHBondContact OD1-NE2 2.83Å; N46-D63 WeakPolarHBondContact O-CA 3.43Å; N46-N64 PolarHBondContact N-OD1 3.41Å; N46-N64 PolarHBondContact O-N 3.11Å; N46-N64 PolarHBondContact O-OD1 3.5Å; N46-S191 CarbonylContact C-O 3.58Å; N46-S191 WeakPolarHBondContact CA-O 3.5Å
47	I	96.1	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.3	-177.8	-62.3	170.2	0	0	0	108.5	C39 L40 I61 Q62 D63 I190 S191 F192 S193	C39-I47 HydrophobicContact CB-CD1 3.71Å; C39-I47 HydrophobicContact CB-CG1 4.02Å; L40-I47 HydrophobicContact CD2-CD1 4.1Å; L40-I47 HydrophobicContact CG-CD1 4.29Å; I47-I61 HydrophobicContact CG2-CD1 3.89Å; I47-I61 HydrophobicContact CG2-CG1 4.02Å; I47-Q62 CarbonylContact C-O 3.58Å; I47-Q62 WeakPolarHBondContact CA-O 3.44Å; I47-D63 HydrophobicContact CG1-CB 4.45Å; I47-I190 HydrophobicContact CD1-CG2 4.36Å; I47-S191 PolarHBondContact N-O 3.3Å; I47-F192 HydrophobicContact CB-CD1 4.08Å; I47-F192 HydrophobicContact CB-CE1 4.22Å; I47-F192 HydrophobicContact CD1-CE1 3.8Å; I47-F192 HydrophobicContact CD1-CZ 4.05Å; I47-F192 HydrophobicContact CG2-CD1 4.26Å; I47-F192 HydrophobicContact CG2-CE1 4.36Å; I47-F192 CarbonylContact O-C 3.47Å; I47-F192 WeakPolarHBondContact O-CA 3.37Å; I47-S193 PolarHBondContact O-N 3.29Å
48	Q	95.6	Very high	93.3	Very high	64 Å²	64	39.7 Å²	39.7	30%	0.299	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.6	-177.1	-58.8	-178.1	32.2	0	0	110.3	N46 I61 Q62	N46-Q48 WeakPolarHBondContact OD1-CG 3.42Å; N46-Q48 PolarHBondContact OD1-NE2 2.83Å; Q48-I61 CarbonylContact O-C 3.57Å; Q48-I61 WeakPolarHBondContact O-CA 3.45Å; Q48-Q62 PolarHBondContact N-O 3.16Å; Q48-Q62 PolarHBondContact O-N 2.97Å
49	V	96.8	Very high	93.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.7	-178.2	-178.8	0	0	0	0	109.2	I32 V51 Q60 I61 V180 S193 V194 K195	I32-V49 HydrophobicContact CD1-CG1 3.52Å; I32-V49 HydrophobicContact CD1-CG2 4.49Å; V49-V51 HydrophobicContact CG1-CG2 3.8Å; V49-Q60 CarbonylContact C-O 3.53Å; V49-Q60 WeakPolarHBondContact CA-O 3.25Å; V49-I61 HydrophobicContact CG2-CD1 4.33Å; V49-I61 HydrophobicContact CG2-CG1 4.22Å; V49-V180 HydrophobicContact CG2-CG2 4.42Å; V49-S193 PolarHBondContact N-O 2.84Å; V49-V194 HydrophobicContact CB-CG1 4.36Å; V49-V194 HydrophobicContact CB-CG2 4.33Å; V49-V194 HydrophobicContact CG1-CG1 4.33Å; V49-V194 WeakPolarHBondContact O-CA 3.29Å; V49-K195 PolarHBondContact O-N 3.31Å
50	I	96.3	Very high	93.7	Very high	26 Å²	26	39.2 Å²	39.2	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128	177.3	-47.8	-178.5	0	0	0	108.3	Q60 K195 Q197	I50-Q60 HydrophobicContact CB-CB 4.29Å; I50-Q60 PolarHBondContact N-O 2.74Å; I50-Q60 PolarHBondContact O-N 3.04Å; I50-K195 WeakPolarHBondContact CA-O 3.39Å; I50-K195 HydrophobicContact CG1-CG 4.17Å; I50-K195 HydrophobicContact CG2-CG 4.44Å; I50-Q197 HydrophobicContact CG2-CB 3.86Å; I50-Q197 HydrophobicContact CG2-CG 4.24Å
51	V	96.1	Very high	94	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.7	-170.7	-168.8	0	0	0	0	111.8	V49 Y173 I176 V194 K195 K196 Q197	V49-V51 HydrophobicContact CG1-CG2 3.8Å; V51-Y173 HydrophobicContact CB-CD2 3.93Å; V51-Y173 HydrophobicContact CB-CE2 3.8Å; V51-Y173 HydrophobicContact CG1-CD2 3.92Å; V51-Y173 HydrophobicContact CG1-CE2 4.32Å; V51-Y173 HydrophobicContact CG2-CD2 4.23Å; V51-Y173 HydrophobicContact CG2-CE2 3.92Å; V51-I176 HydrophobicContact CG1-CD1 3.85Å; V51-I176 HydrophobicContact CG2-CD1 4.31Å; V51-I176 HydrophobicContact CG2-CG2 4.21Å; V51-V194 HydrophobicContact CG2-CG1 4.46Å; V51-K195 PolarHBondContact N-O 3.14Å; V51-K196 CarbonylContact O-C 3.39Å; V51-K196 WeakPolarHBondContact O-CA 3.47Å; V51-Q197 PolarHBondContact O-N 2.88Å
52	K	95	Very high	94.2	Very high	73 Å²	73	40 Å²	40	32%	0.317	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.2	170.1	-170.3	156.5	177	164.3	0	111.9	G54 G55 K57 L58 Q197	K52-G54 VanDerWaalsContact C-N 3.32Å; K52-G54 PolarHBondContact O-N 3.29Å; K52-G55 WeakPolarHBondContact O-CA 3.35Å; K52-G55 PolarHBondContact O-N 3.12Å; K52-K57 HydrophobicContact CG-CB 4.41Å; K52-K57 PolarHBondContact O-N 3.38Å; K52-L58 HydrophobicContact CB-CB 3.95Å; K52-L58 PolarHBondContact N-O 3.3Å; K52-L58 PolarHBondContact O-N 3.09Å; K52-Q197 HydrophobicContact CB-CB 4.17Å; K52-Q197 HydrophobicContact CD-CB 4.14Å
53	E	91.2	Very high	94.5	Very high	101 Å²	101	39.6 Å²	39.6	47%	0.472	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	47.4	50.9	-173.1	-54	-50.4	147.2	0	0	112.6	G55 L56 K57	E53-G55 PolarHBondContact O-N 3.35Å; E53-L56 VanDerWaalsContact O-CB 3.31Å; E53-L56 WeakPolarHBondContact O-CB 3.24Å; E53-L56 WeakPolarHBondContact O-CG 3.3Å; E53-L56 PolarHBondContact O-N 3.02Å; E53-K57 HydrophobicContact CB-CB 3.8Å; E53-K57 HydrophobicContact CG-CB 3.7Å; E53-K57 HydrophobicContact CG-CD 4.13Å
54	G	88.3	Confident	94.7	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	63.9	11.6	-178.7	0	0	0	0	0	115.3	P28 K52 P169 I176	P28-G54 WeakPolarHBondContact CB-O 3.23Å; P28-G54 WeakPolarHBondContact CG-O 3.35Å; K52-G54 VanDerWaalsContact C-N 3.32Å; K52-G54 PolarHBondContact O-N 3.29Å; G54-P169 WeakPolarHBondContact CA-O 3.31Å; G54-I176 WeakPolarHBondContact O-CD1 3.3Å
55	G	91.1	Very high	94.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	92.9	2.6	-173.6	0	0	0	0	0	113.8	K52 E53 I59	K52-G55 WeakPolarHBondContact O-CA 3.35Å; K52-G55 PolarHBondContact O-N 3.12Å; E53-G55 PolarHBondContact O-N 3.35Å; G55-I59 WeakPolarHBondContact O-CG1 3.45Å
56	L	91.6	Very high	94.7	Very high	15 Å²	15	34 Å²	34	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-24.1	175	-60.1	173.4	0	0	0	112.9	P28 E53 D154 L155 L166	P28-L56 HydrophobicContact CG-CD2 3.97Å; P28-L56 HydrophobicContact CG-CG 4.47Å; E53-L56 VanDerWaalsContact O-CB 3.31Å; E53-L56 WeakPolarHBondContact O-CB 3.24Å; E53-L56 WeakPolarHBondContact O-CG 3.3Å; E53-L56 PolarHBondContact O-N 3.02Å; L56-D154 WeakPolarHBondContact O-CA 3.27Å; L56-L155 PolarHBondContact O-N 3.34Å; L56-L155 VanDerWaalsContact O-N 3.1Å; L56-L166 HydrophobicContact CD1-CB 4.18Å; L56-L166 WeakPolarHBondContact CD1-O 3.38Å; L56-L166 HydrophobicContact CD2-CB 4.11Å; L56-L166 HydrophobicContact CD2-CD1 3.84Å
57	K	94.1	Very high	94.6	Very high	107 Å²	107	32 Å²	32	47%	0.465	16%	0.162	S	C	.	.	S	Bend	trans	-103.9	-45.8	179.6	-175.2	159.1	-171.7	159.2	0	113	K52 E53 E153 D154	K52-K57 HydrophobicContact CG-CB 4.41Å; K52-K57 PolarHBondContact O-N 3.38Å; E53-K57 HydrophobicContact CB-CB 3.8Å; E53-K57 HydrophobicContact CG-CB 3.7Å; E53-K57 HydrophobicContact CG-CD 4.13Å; K57-E153 WeakPolarHBondContact O-CA 3.21Å; K57-D154 PolarHBondContact O-N 3.34Å; K57-D154 VanDerWaalsContact O-N 3.08Å
58	L	95.9	Very high	94.5	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	132.5	175.5	175.3	68.5	0	0	0	109.8	K52 Q60 T151 V152 E153 Q197	K52-L58 HydrophobicContact CB-CB 3.95Å; K52-L58 PolarHBondContact N-O 3.3Å; K52-L58 PolarHBondContact O-N 3.09Å; L58-Q60 HydrophobicContact CD1-CB 4.41Å; L58-T151 HydrophobicContact CD1-CG2 3.77Å; L58-V152 WeakPolarHBondContact CA-O 3.38Å; L58-E153 HydrophobicContact CD1-CG 3.76Å; L58-Q197 HydrophobicContact CD2-CG 4.36Å
59	I	96.9	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126	155.4	-56.6	170.3	0	0	0	106.6	P28 A31 I32 M35 G55 V152	P28-I59 HydrophobicContact CB-CD1 4.14Å; A31-I59 HydrophobicContact CB-CD1 4.45Å; I32-I59 HydrophobicContact CD1-CG2 3.42Å; I32-I59 VanDerWaalsContact CD1-CG2 3.42Å; I32-I59 HydrophobicContact CG1-CG2 4.18Å; M35-I59 HydrophobicContact CE-CG2 3.69Å; G55-I59 WeakPolarHBondContact O-CG1 3.45Å; I59-V152 HydrophobicContact CB-CB 4.32Å; I59-V152 PolarHBondContact N-O 2.91Å; I59-V152 PolarHBondContact O-N 3.46Å
60	Q	96.5	Very high	94.1	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.2	168.3	171.8	-176.3	-26	0	0	108.2	V49 I50 L58 Q149 I150	V49-Q60 CarbonylContact C-O 3.53Å; V49-Q60 WeakPolarHBondContact CA-O 3.25Å; I50-Q60 HydrophobicContact CB-CB 4.29Å; I50-Q60 PolarHBondContact N-O 2.74Å; I50-Q60 PolarHBondContact O-N 3.04Å; L58-Q60 HydrophobicContact CD1-CB 4.41Å; Q60-Q149 HydrophobicContact CG-CG 3.86Å; Q60-Q149 VanDerWaalsContact NE2-CD 3.28Å; Q60-I150 WeakPolarHBondContact CA-O 3.15Å
61	I	96.8	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.8	165.8	-168.9	163.9	0	0	0	108.8	M35 I36 I47 Q48 V49 Q149 I150	M35-I61 HydrophobicContact CB-CD1 4.02Å; M35-I61 HydrophobicContact CB-CG2 4.09Å; M35-I61 HydrophobicContact CG-CG2 4.45Å; M35-I61 HydrophobicContact SD-CG2 3.8Å; I36-I61 HydrophobicContact CG1-CD1 3.75Å; I47-I61 HydrophobicContact CG2-CD1 3.89Å; I47-I61 HydrophobicContact CG2-CG1 4.02Å; Q48-I61 CarbonylContact O-C 3.57Å; Q48-I61 WeakPolarHBondContact O-CA 3.45Å; V49-I61 HydrophobicContact CG2-CD1 4.33Å; V49-I61 HydrophobicContact CG2-CG1 4.22Å; I61-Q149 CarbonylContact O-C 3.59Å; I61-Q149 VanDerWaalsContact O-CA 3.25Å; I61-Q149 WeakPolarHBondContact O-CA 3.47Å; I61-Q149 WeakPolarHBondContact O-CG 3.22Å; I61-I150 HydrophobicContact CG2-CB 3.78Å; I61-I150 HydrophobicContact CG2-CG1 4.31Å; I61-I150 PolarHBondContact N-O 3.38Å; I61-I150 PolarHBondContact O-N 2.98Å
62	Q	96.1	Very high	93.7	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.6	174.2	-178	175.8	6.2	0	0	109.6	I47 Q48 T148 Q149	I47-Q62 CarbonylContact C-O 3.58Å; I47-Q62 WeakPolarHBondContact CA-O 3.44Å; Q48-Q62 PolarHBondContact N-O 3.16Å; Q48-Q62 PolarHBondContact O-N 2.97Å; Q62-T148 CarbonylContact C-O 3.56Å; Q62-T148 WeakPolarHBondContact CA-O 3.23Å; Q62-Q149 HydrophobicContact CB-CB 4.37Å; Q62-Q149 HydrophobicContact CB-CG 4.29Å; Q62-Q149 HydrophobicContact CG-CB 4.29Å
63	D	96.2	Very high	93.6	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	23%	0.226	C	C	.	.			trans	-123.7	176.1	177.6	74.1	57.6	0	0	0	112.6	C39 S44 N46 I47 G65 G147 T148	C39-D63 HydrophobicContact CB-CB 4Å; C39-D63 PolarHBondContact SG-OD2 2.71Å; S44-D63 WeakPolarHBondContact OG-CB 3.23Å; N46-D63 WeakPolarHBondContact O-CA 3.43Å; I47-D63 HydrophobicContact CG1-CB 4.45Å; D63-G65 PolarHBondContact OD1-N 3.19Å; D63-G147 WeakPolarHBondContact OD1-CA 3.44Å; D63-T148 PolarHBondContact N-O 3Å; D63-T148 PolarHBondContact OD1-N 3.48Å
64	N	95.3	Very high	93.6	Very high	60 Å²	60	46 Å²	46	32%	0.321	23%	0.225	S	C	.	.			trans	-124.2	29.7	174.5	70.8	-25	0	0	0	112.7	T45 N46	T45-N64 PolarHBondContact N-OD1 3.32Å; T45-N64 PolarHBondContact OG1-ND2 2.97Å; T45-N64 PolarHBondContact OG1-OD1 2.81Å; N46-N64 PolarHBondContact N-OD1 3.41Å; N46-N64 PolarHBondContact O-N 3.11Å; N46-N64 PolarHBondContact O-OD1 3.5Å
65	G	93.6	Very high	93.7	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	24%	0.24	C	C	.	.	S	Bend	trans	-75.2	-153.2	-175.9	0	0	0	0	0	114.5	A42 S44 D63 G67 Q146	A42-G65 CarbonylContact O-C 3.57Å; A42-G65 WeakPolarHBondContact O-CA 3.32Å; S44-G65 WeakPolarHBondContact OG-CA 3.48Å; S44-G65 PolarHBondContact OG-N 3.03Å; D63-G65 PolarHBondContact OD1-N 3.19Å; G65-G67 PolarHBondContact O-N 3.45Å; G65-Q146 WeakPolarHBondContact O-CG 3.45Å; G65-Q146 PolarHBondContact O-NE2 3.07Å
66	T	94.1	Very high	93.8	Very high	78 Å²	78	50.4 Å²	50.4	48%	0.479	25%	0.248	S	C	.	.	S	Bend	trans	-66.5	-22.8	179.2	54.4	0	0	0	0	114.5	A42 T119	A42-T66 PolarHBondContact O-N 3.34Å; T66-T119 WeakPolarHBondContact O-CA 3.26Å
67	G	93.1	Very high	93.8	Very high	12 Å²	12	49.8 Å²	49.8	12%	0.124	24%	0.244	C	C	.	.			trans	74.7	175	-164.7	0	0	0	0	0	112.9	G65 T117	G65-G67 PolarHBondContact O-N 3.45Å; G67-T117 WeakPolarHBondContact CA-OG1 3.49Å
68	I	94.2	Very high	93.6	Very high	37 Å²	37	49 Å²	49	19%	0.19	24%	0.242	C	C	.	.			trans	-111.2	142.5	174.1	-60.3	153.1	0	0	0	107.3	D72 L73 V76 I115 T117 T119 T148	I68-D72 HydrophobicContact CG2-CB 3.85Å; I68-L73 HydrophobicContact CG2-CD2 4.22Å; I68-V76 HydrophobicContact CD1-CG2 4.26Å; I68-V76 HydrophobicContact CG2-CG2 4.37Å; I68-I115 HydrophobicContact CD1-CG2 4.2Å; I68-T117 HydrophobicContact CB-CG2 4.08Å; I68-T117 PolarHBondContact N-OG1 3.2Å; I68-T117 WeakPolarHBondContact O-CG2 3.42Å; I68-T119 WeakPolarHBondContact O-CG2 3.47Å; I68-T148 HydrophobicContact CD1-CG2 4.01Å
69	R	93.3	Very high	93.1	Very high	151 Å²	151	50.9 Å²	50.9	57%	0.57	25%	0.249	S	C	*	.			trans	-73.3	160.3	-178.1	-48.1	178.4	173.1	-176.7	-0.3	110.9	E71 D72 L73 T119	R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 VanDerWaalsContact CB-CD 3.45Å; R69-E71 HydrophobicContact CB-CG 4Å; R69-E71 WeakPolarHBondContact CB-OE2 3.41Å; R69-E71 WeakPolarHBondContact CD-OE1 3.11Å; R69-E71 PolarHBondContact O-N 3.08Å; R69-D72 WeakPolarHBondContact CB-OD2 3.44Å; R69-D72 VanDerWaalsContact CG-OD2 3.27Å; R69-D72 WeakPolarHBondContact CG-OD2 3.39Å; R69-D72 PolarHBondContact N-OD2 3.26Å; R69-D72 PolarHBondContact O-N 3.17Å; R69-L73 PolarHBondContact O-N 3.36Å; R69-T119 HydrophobicContact CG-CG2 4.32Å
70	K	91.3	Very high	92.5	Very high	104 Å²	104	57.8 Å²	57.8	45%	0.452	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-40.5	-175.7	-172.2	-152.9	171.7	-159.8	0	111.1	D72 L73 Y126	K70-D72 VanDerWaalsContact C-N 3.32Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.08Å; K70-Y126 HydrophobicContact CB-CD2 4.1Å; K70-Y126 HydrophobicContact CB-CE2 4.16Å; K70-Y126 HydrophobicContact CD-CD1 4.35Å; K70-Y126 HydrophobicContact CD-CD2 4.35Å; K70-Y126 HydrophobicContact CD-CE1 3.93Å; K70-Y126 HydrophobicContact CD-CE2 3.91Å; K70-Y126 HydrophobicContact CG-CD1 4.11Å; K70-Y126 HydrophobicContact CG-CD2 3.8Å; K70-Y126 HydrophobicContact CG-CE1 4.18Å; K70-Y126 HydrophobicContact CG-CE2 3.85Å; K70-Y126 HydrophobicContact CG-CG 3.93Å
71	E	91.3	Very high	92	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.551	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64	-32.2	176.6	55	-89.2	-146.8	0	0	113	R69 L73	R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 VanDerWaalsContact CB-CD 3.45Å; R69-E71 HydrophobicContact CB-CG 4Å; R69-E71 WeakPolarHBondContact CB-OE2 3.41Å; R69-E71 WeakPolarHBondContact CD-OE1 3.11Å; R69-E71 PolarHBondContact O-N 3.08Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.24Å
72	D	92.8	Very high	91.6	Very high	63 Å²	63	61 Å²	61	34%	0.337	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-75.9	-18.9	178.3	-53.4	-31.5	0	0	0	112.2	I68 R69 K70 D74 I75 V76	I68-D72 HydrophobicContact CG2-CB 3.85Å; R69-D72 WeakPolarHBondContact CB-OD2 3.44Å; R69-D72 VanDerWaalsContact CG-OD2 3.27Å; R69-D72 WeakPolarHBondContact CG-OD2 3.39Å; R69-D72 PolarHBondContact N-OD2 3.26Å; R69-D72 PolarHBondContact O-N 3.17Å; K70-D72 VanDerWaalsContact C-N 3.32Å; D72-D74 PolarHBondContact O-N 3.45Å; D72-I75 WeakPolarHBondContact O-CG1 3.38Å; D72-I75 PolarHBondContact O-N 3.11Å; D72-I75 VanDerWaalsContact O-N 3.12Å; D72-V76 WeakPolarHBondContact O-CB 3.32Å; D72-V76 PolarHBondContact O-N 3.33Å
73	L	91.8	Very high	91	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-64.1	-22.1	-177.7	-69.7	175.2	0	0	0	113.5	I68 R69 K70 E71 I75 V76 I115 T117 A128 Y130 P139	I68-L73 HydrophobicContact CG2-CD2 4.22Å; R69-L73 PolarHBondContact O-N 3.36Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.08Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.24Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 3.01Å; L73-V76 HydrophobicContact CD2-CG1 4.37Å; L73-I115 HydrophobicContact CD2-CG2 4.34Å; L73-T117 HydrophobicContact CD1-CG2 4.31Å; L73-T117 HydrophobicContact CD2-CG2 3.99Å; L73-A128 HydrophobicContact CB-CB 4.44Å; L73-A128 HydrophobicContact CD1-CB 4.4Å; L73-A128 HydrophobicContact CD2-CB 4.44Å; L73-Y130 VanDerWaalsContact O-CE1 3.27Å; L73-Y130 WeakPolarHBondContact O-CE1 3.39Å; L73-Y130 PolarHBondContact O-OH 2.98Å; L73-P139 HydrophobicContact CB-CG 3.96Å; L73-P139 HydrophobicContact CD1-CB 3.83Å; L73-P139 HydrophobicContact CD1-CG 4.06Å
74	D	91.3	Very high	90.4	Very high	88 Å²	88	65.2 Å²	65.2	47%	0.471	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-72.6	-27	177.7	-64.6	-23.2	0	0	0	111.3	D72 L135	D72-D74 PolarHBondContact O-N 3.45Å; D74-L135 VanDerWaalsContact OD1-CD2 3.25Å; D74-L135 WeakPolarHBondContact OD1-CD2 3.45Å
75	I	91.4	Very high	89.6	Confident	73 Å²	73	64.1 Å²	64.1	37%	0.374	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-9.7	-173.1	59.9	170.6	0	0	0	115.3	D72 L73 C77 E78 T81	D72-I75 WeakPolarHBondContact O-CG1 3.38Å; D72-I75 PolarHBondContact O-N 3.11Å; D72-I75 VanDerWaalsContact O-N 3.12Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 3.01Å; I75-C77 PolarHBondContact O-N 2.62Å; I75-E78 WeakPolarHBondContact O-CB 3.39Å; I75-E78 PolarHBondContact O-N 3.48Å; I75-T81 HydrophobicContact CB-CG2 4.24Å; I75-T81 HydrophobicContact CD1-CG2 3.91Å; I75-T81 HydrophobicContact CG1-CG2 4Å; I75-T81 PolarHBondContact O-OG1 3Å
76	V	91.9	Very high	88.9	Confident	27 Å²	27	73 Å²	73	16%	0.164	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.4	-171.5	69.4	0	0	0	0	115.6	I68 D72 L73 L104 I115 Y130	I68-V76 HydrophobicContact CD1-CG2 4.26Å; I68-V76 HydrophobicContact CG2-CG2 4.37Å; D72-V76 WeakPolarHBondContact O-CB 3.32Å; D72-V76 PolarHBondContact O-N 3.33Å; L73-V76 HydrophobicContact CD2-CG1 4.37Å; V76-L104 HydrophobicContact CG2-CD1 3.98Å; V76-I115 HydrophobicContact CG1-CD1 3.84Å; V76-Y130 HydrophobicContact CG1-CE1 4.09Å; V76-Y130 WeakPolarHBondContact CG1-OH 3.14Å
77	C	91.3	Very high	88.1	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.007	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	7.6	174.6	-71.9	0	0	0	0	113.5	I75 A105 Y130 G133	I75-C77 PolarHBondContact O-N 2.62Å; C77-A105 WeakPolarHBondContact O-CA 3.46Å; C77-A105 WeakPolarHBondContact O-CB 3.09Å; C77-Y130 HydrophobicContact CB-CD1 3.64Å; C77-Y130 HydrophobicContact CB-CE1 4.12Å; C77-Y130 HydrophobicContact CB-CG 3.94Å; C77-G133 CarbonylContact C-O 3.54Å; C77-G133 VanDerWaalsContact CB-O 3.26Å; C77-G133 WeakPolarHBondContact CB-O 3.2Å; C77-G133 WeakPolarHBondContact O-CA 3.49Å
78	E	89.5	Confident	87.1	Confident	91 Å²	91	80.4 Å²	80.4	43%	0.425	40%	0.396	S	S	.	.	S	Bend	trans	-79.5	156.1	171	-60.3	-167.8	147.4	0	0	111.2	I75	I75-E78 WeakPolarHBondContact O-CB 3.39Å; I75-E78 PolarHBondContact O-N 3.48Å
79	R	86	Confident	86.2	Confident	48 Å²	48	86.5 Å²	86.5	18%	0.181	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	143.7	-178.5	-58.5	-170.7	93.2	-168.6	-7.6	110.1	N17 T81 E102 A105	N17-R79 WeakPolarHBondContact OD1-CD 3.32Å; N17-R79 PolarHBondContact OD1-NH1 2.66Å; R79-T81 PolarHBondContact O-N 3.45Å; R79-E102 IonicContact NH2-OE1 3.8Å; R79-E102 PolarHBondContact NH2-OE1 2.74Å; R79-A105 HydrophobicContact CG-CB 3.85Å
80	F	85.1	Confident	85.2	Confident	145 Å²	145	81.6 Å²	81.6	64%	0.636	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	5.2	-179.9	-40	-62.6	0	0	0	115	T82 G101 E102	F80-T82 PolarHBondContact O-N 3.41Å; F80-G101 PolarHBondContact N-O 2.82Å; F80-E102 HydrophobicContact CD1-CG 4.36Å; F80-E102 HydrophobicContact CE1-CG 4.32Å
81	T	86	Confident	84.1	Confident	49 Å²	49	79.7 Å²	79.7	30%	0.301	40%	0.403	S	S	.	.			trans	-77.9	119	172.2	-58.4	0	0	0	0	110.2	I75 R79 G101	I75-T81 HydrophobicContact CB-CG2 4.24Å; I75-T81 HydrophobicContact CD1-CG2 3.91Å; I75-T81 HydrophobicContact CG1-CG2 4Å; I75-T81 PolarHBondContact O-OG1 3Å; R79-T81 PolarHBondContact O-N 3.45Å; T81-G101 WeakPolarHBondContact O-CA 3.45Å
82	T	87.8	Confident	82.9	Confident	53 Å²	53	76.9 Å²	76.9	33%	0.325	40%	0.4	S	S	.	.			trans	-147.4	148.3	-178.5	-170.9	0	0	0	0	111.5	F80 K84 L85 F99	F80-T82 PolarHBondContact O-N 3.41Å; T82-K84 PolarHBondContact OG1-N 3.49Å; T82-L85 HydrophobicContact CG2-CB 4.17Å; T82-F99 WeakPolarHBondContact CB-O 3.47Å; T82-F99 PolarHBondContact OG1-O 3.43Å
83	S	84.5	Confident	81.6	Confident	117 Å²	117	77.7 Å²	77.7	82%	0.818	41%	0.41	S	S	*	.	S	Bend	trans	-101.4	5	172.3	55	0	0	0	0	112.9
84	K	82.9	Confident	80.5	Confident	51 Å²	51	79 Å²	79	22%	0.222	42%	0.417	C	S	.	.	S	Bend	trans	-113	-7	-165.3	-53.9	175	-169.5	173.6	0	114	N38 D41 T82 G98	N38-K84 PolarHBondContact OD1-NZ 2.95Å; D41-K84 WeakPolarHBondContact OD2-CE 3.19Å; D41-K84 IonicContact OD2-NZ 3.94Å; D41-K84 PolarHBondContact OD2-NZ 3.33Å; T82-K84 PolarHBondContact OG1-N 3.49Å; K84-G98 WeakPolarHBondContact CD-O 3.47Å
85	L	79.5	Confident	79.4	Confident	37 Å²	37	80.1 Å²	80.1	19%	0.194	43%	0.432	C	S	.	.			trans	-142.2	150	175.1	-70.3	178.1	0	0	0	109.2	T82 D90 I94 F99	T82-L85 HydrophobicContact CG2-CB 4.17Å; L85-D90 HydrophobicContact CD2-CB 3.47Å; L85-D90 VanDerWaalsContact CD2-CB 3.47Å; L85-I94 HydrophobicContact CD1-CD1 4.19Å; L85-I94 HydrophobicContact CD2-CD1 3.77Å; L85-I94 HydrophobicContact CD2-CG1 3.9Å; L85-I94 HydrophobicContact CG-CD1 4.37Å; L85-F99 HydrophobicContact CD1-CB 3.8Å; L85-F99 HydrophobicContact CD1-CD2 3.89Å; L85-F99 HydrophobicContact CD1-CG 4.31Å; L85-F99 HydrophobicContact CG-CB 4.12Å
86	Q	77.4	Confident	78.4	Confident	191 Å²	191	78.5 Å²	78.5	89%	0.893	43%	0.425	S	S	*	.	S	Bend	trans	-130.4	-31.8	169.8	-62.7	-173.2	4.7	0	0	112.1	D90	Q86-D90 PolarHBondContact N-OD2 3.12Å
87	T	77.4	Confident	77.5	Confident	73 Å²	73	78.4 Å²	78.4	45%	0.448	42%	0.422	S	S	.	.	S	Bend	trans	-120.9	170	-179.9	82.3	0	0	0	0	111.8	E89 D90	T87-E89 PolarHBondContact OG1-N 3.1Å; T87-D90 PolarHBondContact N-OD2 3.11Å; T87-D90 PolarHBondContact OG1-N 3.18Å; T87-D90 VanDerWaalsContact OG1-N 3.16Å; T87-D90 PolarHBondContact OG1-OD1 3.42Å
88	F	72.1	Confident	76.6	Confident	171 Å²	171	78.6 Å²	78.6	75%	0.75	43%	0.425	S	S	*	.	S	Bend	trans	-74.9	-29.1	169.9	-177.2	-97.6	0	0	0	112.3	D90 L91	F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.91Å; F88-L91 HydrophobicContact CD2-CD2 4.34Å; F88-L91 HydrophobicContact CE2-CD2 3.83Å; F88-L91 HydrophobicContact CZ-CD2 4.21Å; F88-L91 WeakPolarHBondContact O-CB 3.26Å; F88-L91 PolarHBondContact O-N 3.03Å
89	E	74.8	Confident	75.7	Confident	166 Å²	166	74.9 Å²	74.9	78%	0.776	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-68.1	-32.9	-179.2	-64.8	175.1	-168	0	0	111.6	T87 L91 A92	T87-E89 PolarHBondContact OG1-N 3.1Å; E89-L91 PolarHBondContact O-N 3.46Å; E89-A92 PolarHBondContact O-N 3.18Å
90	D	72.2	Confident	75	Confident	48 Å²	48	75.9 Å²	75.9	26%	0.257	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-50.8	-31.7	172.4	-58.5	-9	0	0	0	112.2	L85 Q86 T87 F88 A92 S93 I94	L85-D90 HydrophobicContact CD2-CB 3.47Å; L85-D90 VanDerWaalsContact CD2-CB 3.47Å; Q86-D90 PolarHBondContact N-OD2 3.12Å; T87-D90 PolarHBondContact N-OD2 3.11Å; T87-D90 PolarHBondContact OG1-N 3.18Å; T87-D90 VanDerWaalsContact OG1-N 3.16Å; T87-D90 PolarHBondContact OG1-OD1 3.42Å; F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.91Å; D90-A92 PolarHBondContact O-N 3.11Å; D90-S93 PolarHBondContact O-N 2.86Å; D90-S93 PolarHBondContact O-OG 3.05Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 2.97Å
91	L	70.1	Confident	74.7	Confident	64 Å²	64	69.8 Å²	69.8	34%	0.335	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-56.7	-33.9	-177.3	-175.3	59.5	0	0	0	113.1	F88 E89 S93 I94 F99	F88-L91 HydrophobicContact CD2-CD2 4.34Å; F88-L91 HydrophobicContact CE2-CD2 3.83Å; F88-L91 HydrophobicContact CZ-CD2 4.21Å; F88-L91 WeakPolarHBondContact O-CB 3.26Å; F88-L91 PolarHBondContact O-N 3.03Å; E89-L91 PolarHBondContact O-N 3.46Å; L91-S93 PolarHBondContact O-N 2.55Å; L91-I94 HydrophobicContact CD1-CD1 3.62Å; L91-F99 HydrophobicContact CD1-CD2 4.17Å; L91-F99 HydrophobicContact CD1-CE2 3.8Å; L91-F99 HydrophobicContact CD1-CZ 4.35Å
92	A	64.7	Low	74.7	Confident	59 Å²	59	69.1 Å²	69.1	49%	0.488	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-78.1	-1.6	178.3	0	0	0	0	0	113.9	E89 D90	E89-A92 PolarHBondContact O-N 3.18Å; D90-A92 PolarHBondContact O-N 3.11Å
93	S	66.3	Low	74.6	Confident	79 Å²	79	67.2 Å²	67.2	55%	0.552	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-126.7	4.3	-173.6	72.5	0	0	0	0	114.6	D90 L91 S95	D90-S93 PolarHBondContact O-N 2.86Å; D90-S93 PolarHBondContact O-OG 3.05Å; L91-S93 PolarHBondContact O-N 2.55Å; S93-S95 PolarHBondContact O-N 3.23Å
94	I	68.3	Low	75	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.149	34%	0.339	C	S	.	.			trans	-60	124.2	-171.5	-60.7	-176.9	0	0	0	112	L85 D90 L91 T96 F99	L85-I94 HydrophobicContact CD1-CD1 4.19Å; L85-I94 HydrophobicContact CD2-CD1 3.77Å; L85-I94 HydrophobicContact CD2-CG1 3.9Å; L85-I94 HydrophobicContact CG-CD1 4.37Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 2.97Å; L91-I94 HydrophobicContact CD1-CD1 3.62Å; I94-T96 WeakPolarHBondContact CG2-O 3.48Å; I94-F99 HydrophobicContact CD1-CB 3.64Å; I94-F99 HydrophobicContact CD1-CD1 3.88Å; I94-F99 HydrophobicContact CD1-CD2 3.84Å; I94-F99 HydrophobicContact CD1-CE1 4.46Å; I94-F99 HydrophobicContact CD1-CE2 4.41Å; I94-F99 HydrophobicContact CD1-CG 3.54Å
95	S	67.4	Low	75.4	Confident	110 Å²	110	60.4 Å²	60.4	77%	0.769	33%	0.329	S	S	*	.			trans	-110.9	3.5	167.9	61.5	0	0	0	0	113.8	S93	S93-S95 PolarHBondContact O-N 3.23Å
96	T	72.1	Confident	75.9	Confident	39 Å²	39	58.6 Å²	58.6	24%	0.239	32%	0.32	C	S	.	.	S	Bend	trans	-94.3	147.7	179.2	57.4	0	0	0	0	112.6	D41 I94 G98	D41-T96 VanDerWaalsContact OD1-CA 3.31Å; D41-T96 WeakPolarHBondContact OD1-CA 3.28Å; D41-T96 VanDerWaalsContact OD1-CB 3.27Å; D41-T96 WeakPolarHBondContact OD1-CB 3.44Å; I94-T96 WeakPolarHBondContact CG2-O 3.48Å; T96-G98 WeakPolarHBondContact CB-O 3.36Å; T96-G98 PolarHBondContact OG1-O 2.77Å
97	Y	72.9	Confident	76.7	Confident	25 Å²	25	49.6 Å²	49.6	10%	0.098	28%	0.278	C	S	.	.	S	Bend	trans	-69.4	-42	-177.7	-68.5	-103.2	0	0	0	112	E37 L40 D41 Y183 N187 H264 R265	E37-Y97 HydrophobicContact CB-CD1 4.39Å; E37-Y97 HydrophobicContact CB-CG 4.25Å; E37-Y97 HydrophobicContact CG-CD1 3.75Å; E37-Y97 HydrophobicContact CG-CG 4.1Å; L40-Y97 HydrophobicContact CB-CD2 4.08Å; L40-Y97 HydrophobicContact CB-CE2 3.78Å; L40-Y97 HydrophobicContact CD1-CE1 4Å; L40-Y97 HydrophobicContact CD1-CE2 4.21Å; D41-Y97 WeakPolarHBondContact OD1-CD2 3Å; D41-Y97 PolarHBondContact OD1-N 2.74Å; D41-Y97 PolarHBondContact OD2-N 3.39Å; Y97-Y183 HydrophobicContact CD1-CE1 4.24Å; Y97-Y183 HydrophobicContact CE1-CD1 4.48Å; Y97-Y183 AromaticContact CE1-CE1 3.96Å; Y97-Y183 HydrophobicContact CE1-CE1 3.96Å; Y97-N187 PolarHBondContact OH-OD1 3.28Å; Y97-H264 HydrophobicContact CE1-CB 4.01Å; Y97-H264 WeakPolarHBondContact CE1-O 3.15Å; Y97-R265 VanDerWaalsContact O-CZ 3.27Å; Y97-R265 PolarHBondContact O-NH1 2.72Å; Y97-R265 PolarHBondContact O-NH2 3.3Å
98	G	71.1	Confident	77.5	Confident	6 Å²	6	46.1 Å²	46.1	6%	0.062	26%	0.256	C	S	.	.			trans	-99.7	153.9	169.1	0	0	0	0	0	112.2	D41 K84 T96	D41-G98 PolarHBondContact OD2-N 2.89Å; K84-G98 WeakPolarHBondContact CD-O 3.47Å; T96-G98 WeakPolarHBondContact CB-O 3.36Å; T96-G98 PolarHBondContact OG1-O 2.77Å
99	F	70.8	Confident	78.4	Confident	13 Å²	13	38.4 Å²	38.4	6%	0.057	22%	0.223	C	C	.	.			trans	-148.2	-46.6	170.8	62.8	-92.3	0	0	0	114.7	T82 L85 L91 I94 G101 V305	T82-F99 WeakPolarHBondContact CB-O 3.47Å; T82-F99 PolarHBondContact OG1-O 3.43Å; L85-F99 HydrophobicContact CD1-CB 3.8Å; L85-F99 HydrophobicContact CD1-CD2 3.89Å; L85-F99 HydrophobicContact CD1-CG 4.31Å; L85-F99 HydrophobicContact CG-CB 4.12Å; L91-F99 HydrophobicContact CD1-CD2 4.17Å; L91-F99 HydrophobicContact CD1-CE2 3.8Å; L91-F99 HydrophobicContact CD1-CZ 4.35Å; I94-F99 HydrophobicContact CD1-CB 3.64Å; I94-F99 HydrophobicContact CD1-CD1 3.88Å; I94-F99 HydrophobicContact CD1-CD2 3.84Å; I94-F99 HydrophobicContact CD1-CE1 4.46Å; I94-F99 HydrophobicContact CD1-CE2 4.41Å; I94-F99 HydrophobicContact CD1-CG 3.54Å; F99-G101 PolarHBondContact O-N 3.46Å; F99-V305 HydrophobicContact CE1-CG2 3.8Å; F99-V305 HydrophobicContact CZ-CG2 4.04Å
100	R	72.8	Confident	79.2	Confident	68 Å²	68	30.5 Å²	30.5	26%	0.257	19%	0.186	S	C	.	.	S	Bend	trans	-57.8	-15.5	-171.6	-59.6	-172.6	-177.5	167.6	-0.5	117.9	E102 N306	R100-E102 HydrophobicContact CB-CG 3.97Å; R100-E102 WeakPolarHBondContact CD-OE2 3.48Å; R100-E102 IonicContact NH1-OE2 2.72Å; R100-E102 PolarHBondContact O-N 3.02Å; R100-N306 PolarHBondContact NE-OD1 3.01Å; R100-N306 PolarHBondContact NH2-O 3.32Å; R100-N306 PolarHBondContact NH2-OD1 3.31Å
101	G	78.8	Confident	80.2	Confident	18 Å²	18	28.2 Å²	28.2	19%	0.186	17%	0.174	C	C	.	.	S	Bend	trans	70	25.5	-176.2	0	0	0	0	0	115	F80 T81 F99	F80-G101 PolarHBondContact N-O 2.82Å; T81-G101 WeakPolarHBondContact O-CA 3.45Å; F99-G101 PolarHBondContact O-N 3.46Å
102	E	84.7	Confident	81.4	Confident	34 Å²	34	29 Å²	29	16%	0.159	18%	0.175	C	C	.	.			trans	-110.8	-16.5	-173	-63.2	-172.8	103.5	0	0	115.3	R79 F80 R100 S106	R79-E102 IonicContact NH2-OE1 3.8Å; R79-E102 PolarHBondContact NH2-OE1 2.74Å; F80-E102 HydrophobicContact CD1-CG 4.36Å; F80-E102 HydrophobicContact CE1-CG 4.32Å; R100-E102 HydrophobicContact CB-CG 3.97Å; R100-E102 WeakPolarHBondContact CD-OE2 3.48Å; R100-E102 IonicContact NH1-OE2 2.72Å; R100-E102 PolarHBondContact O-N 3.02Å; E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.1Å; E102-S106 PolarHBondContact O-OG 3.26Å
103	A	86.9	Confident	82.9	Confident	14 Å²	14	26.2 Å²	26.2	12%	0.116	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-56.6	-166.5	0	0	0	0	0	113.3	E34 A105 S106 I107	E34-A103 HydrophobicContact CB-CB 4.04Å; E34-A103 HydrophobicContact CG-CB 4.27Å; A103-A105 VanDerWaalsContact C-N 3.33Å; A103-A105 PolarHBondContact O-N 3.34Å; A103-S106 PolarHBondContact O-N 2.64Å; A103-I107 WeakPolarHBondContact O-CG1 3.5Å; A103-I107 PolarHBondContact O-N 2.94Å
104	L	91.4	Very high	84.4	Confident	23 Å²	23	23.7 Å²	23.7	12%	0.12	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-36.6	-179.3	-62.3	179.6	0	0	0	111.7	V76 I107 S108 I115 I150	V76-L104 HydrophobicContact CG2-CD1 3.98Å; L104-I107 PolarHBondContact O-N 2.96Å; L104-S108 WeakPolarHBondContact O-CB 3.35Å; L104-S108 PolarHBondContact O-N 3.38Å; L104-I115 HydrophobicContact CD1-CD1 4.41Å; L104-I150 HydrophobicContact CD1-CD1 4.5Å; L104-I150 HydrophobicContact CD2-CD1 3.81Å
105	A	91.2	Very high	85.7	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-47.2	172.7	0	0	0	0	0	111.9	C77 R79 A103 S108 H109	C77-A105 WeakPolarHBondContact O-CA 3.46Å; C77-A105 WeakPolarHBondContact O-CB 3.09Å; R79-A105 HydrophobicContact CG-CB 3.85Å; A103-A105 VanDerWaalsContact C-N 3.33Å; A103-A105 PolarHBondContact O-N 3.34Å; A105-S108 PolarHBondContact O-N 3Å; A105-H109 PolarHBondContact O-N 2.82Å; A105-H109 VanDerWaalsContact O-N 3.15Å; A105-H109 PolarHBondContact O-ND1 3.17Å
106	S	91.3	Very high	87.1	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-47.1	176.6	-64.4	0	0	0	0	111.6	A21 E102 A103 S108 H109	A21-S106 WeakPolarHBondContact CB-O 3.39Å; E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.1Å; E102-S106 PolarHBondContact O-OG 3.26Å; A103-S106 PolarHBondContact O-N 2.64Å; S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact O-N 3.36Å; S106-H109 PolarHBondContact O-N 3.17Å; S106-H109 VanDerWaalsContact O-N 3.15Å
107	I	93.3	Very high	88.2	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-42.4	176.8	-63.2	166.6	0	0	0	110.6	I25 A31 M35 A103 L104 H109 V110 A111 V113 V152	I25-I107 HydrophobicContact CD1-CD1 4.29Å; I25-I107 HydrophobicContact CD1-CG1 3.72Å; I25-I107 HydrophobicContact CG1-CG1 3.84Å; A31-I107 HydrophobicContact CB-CD1 4.05Å; A31-I107 HydrophobicContact CB-CG1 4.28Å; M35-I107 HydrophobicContact CG-CD1 4.2Å; A103-I107 WeakPolarHBondContact O-CG1 3.5Å; A103-I107 PolarHBondContact O-N 2.94Å; L104-I107 PolarHBondContact O-N 2.96Å; I107-H109 VanDerWaalsContact C-N 3.26Å; I107-H109 PolarHBondContact O-N 3.01Å; I107-V110 PolarHBondContact O-N 2.98Å; I107-V110 VanDerWaalsContact O-N 3.08Å; I107-A111 HydrophobicContact CG2-CB 4.41Å; I107-A111 PolarHBondContact O-N 3.49Å; I107-V113 HydrophobicContact CB-CG2 4.46Å; I107-V113 HydrophobicContact CG2-CG2 3.73Å; I107-V152 HydrophobicContact CG2-CB 4.44Å; I107-V152 HydrophobicContact CG2-CG1 3.59Å; I107-V152 HydrophobicContact CG2-CG2 3.92Å
108	S	93.9	Very high	89.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.1	-19.4	178.5	-175.2	0	0	0	0	114.6	L104 A105 S106 Y130 D132 G133	L104-S108 WeakPolarHBondContact O-CB 3.35Å; L104-S108 PolarHBondContact O-N 3.38Å; A105-S108 PolarHBondContact O-N 3Å; S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact O-N 3.36Å; S108-Y130 WeakPolarHBondContact OG-CB 3.38Å; S108-D132 PolarHBondContact O-N 3.45Å; S108-G133 PolarHBondContact OG-N 3.44Å; S108-G133 VanDerWaalsContact OG-N 3.08Å
109	H	91.8	Very high	90.4	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.046	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-10	172.3	-76.6	82.7	0	0	0	113.8	N17 R18 A21 A105 S106 I107 D132 N158	N17-H109 VanDerWaalsContact CB-CD2 3.47Å; N17-H109 WeakPolarHBondContact CB-CD2 3.45Å; N17-H109 WeakPolarHBondContact CB-NE2 3.36Å; N17-H109 PolarHBondContact ND2-NE2 3.07Å; R18-H109 HydrophobicContact CG-CB 4.34Å; A21-H109 HydrophobicContact CB-CB 3.85Å; A105-H109 PolarHBondContact O-N 2.82Å; A105-H109 VanDerWaalsContact O-N 3.15Å; A105-H109 PolarHBondContact O-ND1 3.17Å; S106-H109 PolarHBondContact O-N 3.17Å; S106-H109 VanDerWaalsContact O-N 3.15Å; I107-H109 VanDerWaalsContact C-N 3.26Å; I107-H109 PolarHBondContact O-N 3.01Å; H109-D132 IonicContact CD2-OD1 2.83Å; H109-D132 VanDerWaalsContact CE1-C 3.45Å; H109-D132 PolarHBondContact NE2-O 2.81Å; H109-N158 PolarHBondContact O-ND2 3.47Å
110	V	91.4	Very high	91.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-1.4	-179.7	-61.5	0	0	0	0	114.3	A21 I25 I107 L155 F156 I159	A21-V110 HydrophobicContact CB-CG1 4.06Å; I25-V110 HydrophobicContact CB-CG2 4.49Å; I25-V110 HydrophobicContact CG2-CG2 4.36Å; I107-V110 PolarHBondContact O-N 2.98Å; I107-V110 VanDerWaalsContact O-N 3.08Å; V110-L155 HydrophobicContact CG2-CD1 3.83Å; V110-F156 HydrophobicContact CB-CD1 3.95Å; V110-F156 HydrophobicContact CB-CE1 4.24Å; V110-F156 HydrophobicContact CG1-CD1 4.36Å; V110-F156 HydrophobicContact CG2-CD1 4.29Å; V110-F156 HydrophobicContact CG2-CE1 4.12Å; V110-F156 WeakPolarHBondContact O-CA 3.22Å; V110-F156 PolarHBondContact O-N 3.45Å; V110-I159 HydrophobicContact CG1-CD1 3.94Å
111	A	93.8	Very high	92.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-153.8	161.3	-179.9	0	0	0	0	0	111.1	I107 V152 L155	I107-A111 HydrophobicContact CG2-CB 4.41Å; I107-A111 PolarHBondContact O-N 3.49Å; A111-V152 HydrophobicContact CB-CG1 3.41Å; A111-V152 VanDerWaalsContact CB-CG1 3.41Å; A111-L155 HydrophobicContact CB-CD1 3.91Å
112	H	94.8	Very high	92.6	Very high	79 Å²	79	25 Å²	25	37%	0.366	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.2	169.3	-60.4	-51	0	0	0	109.3	V152 E153 Y157	H112-V152 WeakPolarHBondContact O-CA 3.4Å; H112-E153 HydrophobicContact CB-CB 4.49Å; H112-E153 PolarHBondContact N-O 2.66Å; H112-E153 PolarHBondContact O-N 2.66Å; H112-Y157 AromaticContact CE1-CE1 3.89Å; H112-Y157 AromaticContact CE1-CE2 3.77Å; H112-Y157 AromaticContact CE1-CZ 3.52Å; H112-Y157 AromaticContact NE2-CE2 3.9Å; H112-Y157 AromaticContact NE2-CZ 3.97Å
113	V	96.5	Very high	92.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.1	-175	178.4	0	0	0	0	109.8	I107 I115 S129 Y130 I150 T151 V152	I107-V113 HydrophobicContact CB-CG2 4.46Å; I107-V113 HydrophobicContact CG2-CG2 3.73Å; V113-I115 HydrophobicContact CG1-CG1 4.14Å; V113-S129 CarbonylContact O-C 3.41Å; V113-S129 VanDerWaalsContact O-CA 3.32Å; V113-S129 WeakPolarHBondContact O-CA 3.37Å; V113-Y130 HydrophobicContact CG1-CD2 4.34Å; V113-Y130 PolarHBondContact N-O 2.91Å; V113-Y130 PolarHBondContact O-N 3.26Å; V113-I150 HydrophobicContact CG1-CG2 4.11Å; V113-T151 CarbonylContact C-O 3.57Å; V113-T151 WeakPolarHBondContact CA-O 3.47Å; V113-V152 HydrophobicContact CG2-CG2 4.47Å
114	T	96.6	Very high	93	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.16	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.2	170.9	-69.7	0	0	0	0	109.5	R127 A128 S129 T151	T114-R127 HydrophobicContact CG2-CG 3.7Å; T114-A128 CarbonylContact C-O 3.59Å; T114-A128 WeakPolarHBondContact CA-O 3.21Å; T114-S129 PolarHBondContact OG1-OG 3.25Å; T114-T151 PolarHBondContact N-O 2.59Å; T114-T151 PolarHBondContact O-N 2.65Å
115	I	96.4	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	176	-58.1	177.4	0	0	0	107.9	I68 L73 V76 L104 V113 R127 A128 Y130 T148 I150	I68-I115 HydrophobicContact CD1-CG2 4.2Å; L73-I115 HydrophobicContact CD2-CG2 4.34Å; V76-I115 HydrophobicContact CG1-CD1 3.84Å; L104-I115 HydrophobicContact CD1-CD1 4.41Å; V113-I115 HydrophobicContact CG1-CG1 4.14Å; I115-R127 VanDerWaalsContact O-CA 3.3Å; I115-R127 WeakPolarHBondContact O-CA 3.42Å; I115-A128 PolarHBondContact N-O 3.47Å; I115-A128 PolarHBondContact O-N 3.18Å; I115-Y130 HydrophobicContact CB-CE2 4.05Å; I115-Y130 HydrophobicContact CD1-CD2 4.42Å; I115-Y130 HydrophobicContact CD1-CE2 3.7Å; I115-Y130 HydrophobicContact CG1-CD2 4.39Å; I115-Y130 HydrophobicContact CG1-CE2 3.78Å; I115-T148 HydrophobicContact CG2-CG2 3.79Å; I115-I150 HydrophobicContact CG1-CG1 4.45Å; I115-I150 HydrophobicContact CG1-CG2 4.35Å
116	T	96.3	Very high	93.4	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120	166.6	-58.2	0	0	0	0	108.1	Y126 R127 Q149	T116-Y126 CarbonylContact C-O 3.57Å; T116-Y126 VanDerWaalsContact CA-O 3.31Å; T116-Y126 WeakPolarHBondContact CA-O 3.4Å; T116-R127 PolarHBondContact OG1-NE 2.96Å; T116-Q149 PolarHBondContact N-O 3.28Å; T116-Q149 PolarHBondContact O-N 3.01Å
117	T	96.4	Very high	93.6	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.7	-171.6	-164.7	0	0	0	0	112.3	G67 I68 L73 A125 Y126 G147 T148	G67-T117 WeakPolarHBondContact CA-OG1 3.49Å; I68-T117 HydrophobicContact CB-CG2 4.08Å; I68-T117 PolarHBondContact N-OG1 3.2Å; I68-T117 WeakPolarHBondContact O-CG2 3.42Å; L73-T117 HydrophobicContact CD1-CG2 4.31Å; L73-T117 HydrophobicContact CD2-CG2 3.99Å; T117-A125 CarbonylContact O-C 3.57Å; T117-A125 VanDerWaalsContact O-CA 3.24Å; T117-A125 WeakPolarHBondContact O-CA 3.43Å; T117-A125 WeakPolarHBondContact O-CB 3.46Å; T117-Y126 PolarHBondContact N-O 3.46Å; T117-Y126 PolarHBondContact O-N 3.25Å; T117-G147 WeakPolarHBondContact CA-O 3.34Å; T117-G147 PolarHBondContact OG1-O 3.1Å; T117-T148 PolarHBondContact OG1-OG1 3.46Å
118	K	95.1	Very high	93.8	Very high	54 Å²	54	42 Å²	42	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	123.2	172.5	-170.8	-165.3	168.7	-167.5	0	110.7	G122 A125 G144 N145 Q146 G147	K118-G122 WeakPolarHBondContact CE-O 3.38Å; K118-A125 HydrophobicContact CB-CB 3.93Å; K118-A125 HydrophobicContact CG-CB 4.45Å; K118-G144 WeakPolarHBondContact CD-O 3.26Å; K118-N145 WeakPolarHBondContact CB-O 3.03Å; K118-Q146 WeakPolarHBondContact O-CA 3.42Å; K118-G147 PolarHBondContact N-O 3.06Å; K118-G147 PolarHBondContact O-N 2.79Å
119	T	94.3	Very high	93.9	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.184	23%	0.23	C	C	.	.			trans	-77.7	161.8	168.2	56.1	0	0	0	0	112	T66 I68 R69 D121 G122	T66-T119 WeakPolarHBondContact O-CA 3.26Å; I68-T119 WeakPolarHBondContact O-CG2 3.47Å; R69-T119 HydrophobicContact CG-CG2 4.32Å; T119-D121 VanDerWaalsContact C-N 3.3Å; T119-D121 PolarHBondContact O-N 3.32Å; T119-G122 PolarHBondContact O-N 2.78Å; T119-G122 PolarHBondContact OG1-N 3.37Å
120	A	91.1	Very high	94	Very high	65 Å²	65	43.8 Å²	43.8	54%	0.537	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-43.1	176.9	0	0	0	0	0	112.5	G122	A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 2.94Å
121	D	89.9	Confident	93.9	Very high	155 Å²	155	44.7 Å²	44.7	83%	0.829	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.7	178.3	-44.7	-74.3	0	0	0	113.5	T119 K123	T119-D121 VanDerWaalsContact C-N 3.3Å; T119-D121 PolarHBondContact O-N 3.32Å; D121-K123 PolarHBondContact O-N 2.89Å
122	G	87.3	Confident	93.6	Very high	16 Å²	16	46.6 Å²	46.6	17%	0.165	25%	0.245	C	C	.	.			trans	-72.2	119.2	-176.8	0	0	0	0	0	112.5	K118 T119 A120 C124	K118-G122 WeakPolarHBondContact CE-O 3.38Å; T119-G122 PolarHBondContact O-N 2.78Å; T119-G122 PolarHBondContact OG1-N 3.37Å; A120-G122 VanDerWaalsContact C-N 3.26Å; A120-G122 PolarHBondContact O-N 2.94Å; G122-C124 PolarHBondContact O-N 3.03Å
123	K	88.8	Confident	93.2	Very high	211 Å²	211	43.1 Å²	43.1	92%	0.917	23%	0.23	S	C	*	.	S	Bend	trans	-59.6	-32.4	177.8	-66.7	-177.5	179.4	178.5	0	113.5	D121	D121-K123 PolarHBondContact O-N 2.89Å
124	C	92.1	Very high	92.8	Very high	43 Å²	43	50 Å²	50	29%	0.291	26%	0.26	S	S	.	.	S	Bend	trans	-146.2	168.2	176.5	56.3	0	0	0	0	110.1	G122	G122-C124 PolarHBondContact O-N 3.03Å
125	A	94.9	Very high	92.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	157	171.3	0	0	0	0	0	110.6	T117 K118 P141 C142	T117-A125 CarbonylContact O-C 3.57Å; T117-A125 VanDerWaalsContact O-CA 3.24Å; T117-A125 WeakPolarHBondContact O-CA 3.43Å; T117-A125 WeakPolarHBondContact O-CB 3.46Å; K118-A125 HydrophobicContact CB-CB 3.93Å; K118-A125 HydrophobicContact CG-CB 4.45Å; A125-P141 CarbonylContact O-C 3.46Å; A125-P141 WeakPolarHBondContact O-CA 3.46Å; A125-C142 PolarHBondContact N-O 3.3Å; A125-C142 PolarHBondContact O-N 3.03Å
126	Y	95.6	Very high	92.4	Very high	58 Å²	58	56.9 Å²	56.9	23%	0.227	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.5	172.2	-70.7	-84.2	0	0	0	110.7	K70 T116 T117 P139 K140 P141	K70-Y126 HydrophobicContact CB-CD2 4.1Å; K70-Y126 HydrophobicContact CB-CE2 4.16Å; K70-Y126 HydrophobicContact CD-CD1 4.35Å; K70-Y126 HydrophobicContact CD-CD2 4.35Å; K70-Y126 HydrophobicContact CD-CE1 3.93Å; K70-Y126 HydrophobicContact CD-CE2 3.91Å; K70-Y126 HydrophobicContact CG-CD1 4.11Å; K70-Y126 HydrophobicContact CG-CD2 3.8Å; K70-Y126 HydrophobicContact CG-CE1 4.18Å; K70-Y126 HydrophobicContact CG-CE2 3.85Å; K70-Y126 HydrophobicContact CG-CG 3.93Å; T116-Y126 CarbonylContact C-O 3.57Å; T116-Y126 VanDerWaalsContact CA-O 3.31Å; T116-Y126 WeakPolarHBondContact CA-O 3.4Å; T117-Y126 PolarHBondContact N-O 3.46Å; T117-Y126 PolarHBondContact O-N 3.25Å; Y126-P139 HydrophobicContact CD1-CB 4.33Å; Y126-K140 WeakPolarHBondContact CA-O 3.46Å; Y126-P141 HydrophobicContact CD1-CB 4.33Å; Y126-P141 HydrophobicContact CE1-CB 4Å
127	R	96.1	Very high	92.1	Very high	115 Å²	115	58.4 Å²	58.4	43%	0.434	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.1	173.6	-179	173.2	-65.8	164.8	2.6	111.1	T114 I115 T116 P139 K140	T114-R127 HydrophobicContact CG2-CG 3.7Å; I115-R127 VanDerWaalsContact O-CA 3.3Å; I115-R127 WeakPolarHBondContact O-CA 3.42Å; T116-R127 PolarHBondContact OG1-NE 2.96Å; R127-P139 CarbonylContact O-C 3.51Å; R127-P139 WeakPolarHBondContact O-CA 3.43Å; R127-K140 PolarHBondContact N-O 3.36Å; R127-K140 PolarHBondContact O-N 2.88Å
128	A	95.9	Very high	91.8	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.017	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.5	177.6	0	0	0	0	0	109.8	L73 T114 I115 Y130 L135 P139	L73-A128 HydrophobicContact CB-CB 4.44Å; L73-A128 HydrophobicContact CD1-CB 4.4Å; L73-A128 HydrophobicContact CD2-CB 4.44Å; T114-A128 CarbonylContact C-O 3.59Å; T114-A128 WeakPolarHBondContact CA-O 3.21Å; I115-A128 PolarHBondContact N-O 3.47Å; I115-A128 PolarHBondContact O-N 3.18Å; A128-Y130 HydrophobicContact CB-CE2 3.75Å; A128-Y130 WeakPolarHBondContact CB-OH 3.37Å; A128-L135 HydrophobicContact CB-CD1 3.63Å; A128-P139 HydrophobicContact CB-CB 4.44Å; A128-P139 HydrophobicContact CB-CG 4.41Å
129	S	96	Very high	91.8	Very high	45 Å²	45	61.5 Å²	61.5	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.8	-178	-61.4	0	0	0	0	110.6	V113 T114 Q136	V113-S129 CarbonylContact O-C 3.41Å; V113-S129 VanDerWaalsContact O-CA 3.32Å; V113-S129 WeakPolarHBondContact O-CA 3.37Å; T114-S129 PolarHBondContact OG1-OG 3.25Å; S129-Q136 WeakPolarHBondContact O-CB 3.35Å; S129-Q136 PolarHBondContact O-N 3.05Å
130	Y	94.7	Very high	91.7	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.7	-164.6	-49.1	-96.4	0	0	0	111.9	L73 V76 C77 S108 V113 I115 A128 K134 L135	L73-Y130 VanDerWaalsContact O-CE1 3.27Å; L73-Y130 WeakPolarHBondContact O-CE1 3.39Å; L73-Y130 PolarHBondContact O-OH 2.98Å; V76-Y130 HydrophobicContact CG1-CE1 4.09Å; V76-Y130 WeakPolarHBondContact CG1-OH 3.14Å; C77-Y130 HydrophobicContact CB-CD1 3.64Å; C77-Y130 HydrophobicContact CB-CE1 4.12Å; C77-Y130 HydrophobicContact CB-CG 3.94Å; S108-Y130 WeakPolarHBondContact OG-CB 3.38Å; V113-Y130 HydrophobicContact CG1-CD2 4.34Å; V113-Y130 PolarHBondContact N-O 2.91Å; V113-Y130 PolarHBondContact O-N 3.26Å; I115-Y130 HydrophobicContact CB-CE2 4.05Å; I115-Y130 HydrophobicContact CD1-CD2 4.42Å; I115-Y130 HydrophobicContact CD1-CE2 3.7Å; I115-Y130 HydrophobicContact CG1-CD2 4.39Å; I115-Y130 HydrophobicContact CG1-CE2 3.78Å; A128-Y130 HydrophobicContact CB-CE2 3.75Å; A128-Y130 WeakPolarHBondContact CB-OH 3.37Å; Y130-K134 WeakPolarHBondContact CA-O 3.3Å; Y130-L135 HydrophobicContact CD1-CB 4.17Å; Y130-L135 HydrophobicContact CD1-CD1 4.1Å; Y130-L135 HydrophobicContact CE1-CB 4.16Å; Y130-L135 HydrophobicContact CE1-CD1 3.68Å
131	S	90	Very high	91.9	Very high	19 Å²	19	67.8 Å²	67.8	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137	170.5	-166.4	0	0	0	0	109	G133 K134	S131-G133 PolarHBondContact O-N 2.8Å; S131-K134 PolarHBondContact N-O 2.59Å; S131-K134 VanDerWaalsContact N-O 3.07Å; S131-K134 PolarHBondContact O-N 3.49Å
132	D	87.6	Confident	92	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.214	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.9	-175.2	-62.6	-78.7	0	0	0	112.1	R18 S108 H109 K134	R18-D132 IonicContact CZ-OD1 2.75Å; R18-D132 IonicContact NE-OD1 2.99Å; R18-D132 PolarHBondContact NE-OD1 3.31Å; R18-D132 IonicContact NH2-OD1 2.86Å; R18-D132 PolarHBondContact NH2-OD1 3.1Å; R18-D132 IonicContact NH2-OD2 2.8Å; R18-D132 PolarHBondContact NH2-OD2 2.93Å; S108-D132 PolarHBondContact O-N 3.45Å; H109-D132 IonicContact CD2-OD1 2.83Å; H109-D132 VanDerWaalsContact CE1-C 3.45Å; H109-D132 PolarHBondContact NE2-O 2.81Å; D132-K134 PolarHBondContact O-N 2.76Å; D132-K134 VanDerWaalsContact O-N 3.15Å
133	G	85.4	Confident	92.2	Very high	5 Å²	5	66 Å²	66	5%	0.052	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-17.9	-177.8	0	0	0	0	0	115.6	C77 S108 S131	C77-G133 CarbonylContact C-O 3.54Å; C77-G133 VanDerWaalsContact CB-O 3.26Å; C77-G133 WeakPolarHBondContact CB-O 3.2Å; C77-G133 WeakPolarHBondContact O-CA 3.49Å; S108-G133 PolarHBondContact OG-N 3.44Å; S108-G133 VanDerWaalsContact OG-N 3.08Å; S131-G133 PolarHBondContact O-N 2.8Å
134	K	89.4	Confident	92.2	Very high	146 Å²	146	57.7 Å²	57.7	64%	0.635	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.4	-169.3	-65.4	-179.8	-178.6	179.4	0	113.2	Y130 S131 D132 Q136	Y130-K134 WeakPolarHBondContact CA-O 3.3Å; S131-K134 PolarHBondContact N-O 2.59Å; S131-K134 VanDerWaalsContact N-O 3.07Å; S131-K134 PolarHBondContact O-N 3.49Å; D132-K134 PolarHBondContact O-N 2.76Å; D132-K134 VanDerWaalsContact O-N 3.15Å; K134-Q136 PolarHBondContact O-N 2.83Å; K134-Q136 PolarHBondContact O-NE2 3.21Å; K134-Q136 VanDerWaalsContact O-NE2 3.12Å
135	L	92	Very high	92.1	Very high	46 Å²	46	62.1 Å²	62.1	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	127	173.9	-176	70.9	0	0	0	111.2	D74 A128 Y130 A137 P139	D74-L135 VanDerWaalsContact OD1-CD2 3.25Å; D74-L135 WeakPolarHBondContact OD1-CD2 3.45Å; A128-L135 HydrophobicContact CB-CD1 3.63Å; Y130-L135 HydrophobicContact CD1-CB 4.17Å; Y130-L135 HydrophobicContact CD1-CD1 4.1Å; Y130-L135 HydrophobicContact CE1-CB 4.16Å; Y130-L135 HydrophobicContact CE1-CD1 3.68Å; L135-A137 WeakPolarHBondContact CD1-O 3.46Å; L135-A137 WeakPolarHBondContact CG-O 3.3Å; L135-P139 HydrophobicContact CD2-CG 4.4Å
136	Q	91.1	Very high	92	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.584	37%	0.369	S	S	*	.	S	Bend	trans	-87.1	-24.4	-176.3	-62.3	-62.4	-64.9	0	0	113.8	S129 K134	S129-Q136 WeakPolarHBondContact O-CB 3.35Å; S129-Q136 PolarHBondContact O-N 3.05Å; K134-Q136 PolarHBondContact O-N 2.83Å; K134-Q136 PolarHBondContact O-NE2 3.21Å; K134-Q136 VanDerWaalsContact O-NE2 3.12Å
137	A	90.4	Very high	92	Very high	42 Å²	42	63.6 Å²	63.6	35%	0.347	36%	0.36	S	S	.	.	S	Bend	trans	-159.2	148.4	179.9	0	0	0	0	0	110.1	L135	L135-A137 WeakPolarHBondContact CD1-O 3.46Å; L135-A137 WeakPolarHBondContact CG-O 3.3Å
138	P	90.9	Very high	92	Very high	104 Å²	104	58.6 Å²	58.6	68%	0.675	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-57.6	145.4	-178.2	23.2	-34.6	0	0	0	112.3	K140	P138-K140 PolarHBondContact O-N 2.67Å
139	P	93.4	Very high	92	Very high	20 Å²	20	60.5 Å²	60.5	13%	0.13	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61	120.6	-170.1	-25	35.6	0	0	0	113.1	L73 Y126 R127 A128 L135	L73-P139 HydrophobicContact CB-CG 3.96Å; L73-P139 HydrophobicContact CD1-CB 3.83Å; L73-P139 HydrophobicContact CD1-CG 4.06Å; Y126-P139 HydrophobicContact CD1-CB 4.33Å; R127-P139 CarbonylContact O-C 3.51Å; R127-P139 WeakPolarHBondContact O-CA 3.43Å; A128-P139 HydrophobicContact CB-CB 4.44Å; A128-P139 HydrophobicContact CB-CG 4.41Å; L135-P139 HydrophobicContact CD2-CG 4.4Å
140	K	93.9	Very high	92.1	Very high	134 Å²	134	58.8 Å²	58.8	58%	0.583	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.3	-174.7	-64.5	178.4	-177.8	172.9	0	110.4	Y126 R127 P138	Y126-K140 WeakPolarHBondContact CA-O 3.46Å; R127-K140 PolarHBondContact N-O 3.36Å; R127-K140 PolarHBondContact O-N 2.88Å; P138-K140 PolarHBondContact O-N 2.67Å
141	P	94.3	Very high	92.2	Very high	92 Å²	92	59.2 Å²	59.2	60%	0.597	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	141	175.1	28.6	-34.4	0	0	0	110.6	A125 Y126	A125-P141 CarbonylContact O-C 3.46Å; A125-P141 WeakPolarHBondContact O-CA 3.46Å; Y126-P141 HydrophobicContact CD1-CB 4.33Å; Y126-P141 HydrophobicContact CE1-CB 4Å
142	C	93.3	Very high	92.5	Very high	36 Å²	36	58.4 Å²	58.4	24%	0.243	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	173.2	-176.8	63.4	0	0	0	0	112.2	A125	A125-C142 PolarHBondContact N-O 3.3Å; A125-C142 PolarHBondContact O-N 3.03Å
143	A	91.3	Very high	92.9	Very high	99 Å²	99	60.8 Å²	60.8	82%	0.818	35%	0.345	S	S	*	.			trans	-79.5	133.7	170.1	0	0	0	0	0	110.3
144	G	87.3	Confident	93.3	Very high	35 Å²	35	63.1 Å²	63.1	36%	0.361	36%	0.357	S	S	.	.			trans	-173.7	151.9	177.1	0	0	0	0	0	111.7	K118	K118-G144 WeakPolarHBondContact CD-O 3.26Å
145	N	90.9	Very high	93.4	Very high	136 Å²	136	56.3 Å²	56.3	73%	0.727	33%	0.327	S	S	*	.			trans	-83.2	170.2	172.1	-66.5	-17.9	0	0	0	110.1	K118	K118-N145 WeakPolarHBondContact CB-O 3.03Å
146	Q	93	Very high	93.4	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.411	32%	0.315	S	S	.	.	S	Bend	trans	-59.6	143.2	172.2	178.3	-178.3	-28.3	0	0	110.9	G65 K118	G65-Q146 WeakPolarHBondContact O-CG 3.45Å; G65-Q146 PolarHBondContact O-NE2 3.07Å; K118-Q146 WeakPolarHBondContact O-CA 3.42Å
147	G	94.9	Very high	93.4	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-164.7	-175.9	0	0	0	0	0	111.7	D63 T117 K118	D63-G147 WeakPolarHBondContact OD1-CA 3.44Å; T117-G147 WeakPolarHBondContact CA-O 3.34Å; T117-G147 PolarHBondContact OG1-O 3.1Å; K118-G147 PolarHBondContact N-O 3.06Å; K118-G147 PolarHBondContact O-N 2.79Å
148	T	96.6	Very high	93.3	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.8	179.1	-54.5	0	0	0	0	111.6	Q62 D63 I68 I115 T117 I150	Q62-T148 CarbonylContact C-O 3.56Å; Q62-T148 WeakPolarHBondContact CA-O 3.23Å; D63-T148 PolarHBondContact N-O 3Å; D63-T148 PolarHBondContact OD1-N 3.48Å; I68-T148 HydrophobicContact CD1-CG2 4.01Å; I115-T148 HydrophobicContact CG2-CG2 3.79Å; T117-T148 PolarHBondContact OG1-OG1 3.46Å; T148-I150 HydrophobicContact CG2-CD1 4.42Å; T148-I150 HydrophobicContact CG2-CG1 3.78Å
149	Q	96.6	Very high	93.1	Very high	42 Å²	42	48.1 Å²	48.1	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124	161.9	-178.7	-168.1	-48.3	0	0	108.3	Q60 I61 Q62 T116 T151	Q60-Q149 HydrophobicContact CG-CG 3.86Å; Q60-Q149 VanDerWaalsContact NE2-CD 3.28Å; I61-Q149 CarbonylContact O-C 3.59Å; I61-Q149 VanDerWaalsContact O-CA 3.25Å; I61-Q149 WeakPolarHBondContact O-CA 3.47Å; I61-Q149 WeakPolarHBondContact O-CG 3.22Å; Q62-Q149 HydrophobicContact CB-CB 4.37Å; Q62-Q149 HydrophobicContact CB-CG 4.29Å; Q62-Q149 HydrophobicContact CG-CB 4.29Å; T116-Q149 PolarHBondContact N-O 3.28Å; T116-Q149 PolarHBondContact O-N 3.01Å; Q149-T151 PolarHBondContact NE2-OG1 3.44Å
150	I	96.8	Very high	92.7	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.5	171.8	-49.5	-177.3	0	0	0	107.8	M35 Q60 I61 L104 V113 I115 T148 V152	M35-I150 HydrophobicContact SD-CB 4.11Å; M35-I150 HydrophobicContact SD-CG2 3.88Å; Q60-I150 WeakPolarHBondContact CA-O 3.15Å; I61-I150 HydrophobicContact CG2-CB 3.78Å; I61-I150 HydrophobicContact CG2-CG1 4.31Å; I61-I150 PolarHBondContact N-O 3.38Å; I61-I150 PolarHBondContact O-N 2.98Å; L104-I150 HydrophobicContact CD1-CD1 4.5Å; L104-I150 HydrophobicContact CD2-CD1 3.81Å; V113-I150 HydrophobicContact CG1-CG2 4.11Å; I115-I150 HydrophobicContact CG1-CG1 4.45Å; I115-I150 HydrophobicContact CG1-CG2 4.35Å; T148-I150 HydrophobicContact CG2-CD1 4.42Å; T148-I150 HydrophobicContact CG2-CG1 3.78Å; I150-V152 HydrophobicContact CG2-CG2 4.13Å
151	T	96.8	Very high	92.4	Very high	14 Å²	14	51.3 Å²	51.3	9%	0.086	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	176.4	-74.9	0	0	0	0	108.2	L58 V113 T114 Q149 E153	L58-T151 HydrophobicContact CD1-CG2 3.77Å; V113-T151 CarbonylContact C-O 3.57Å; V113-T151 WeakPolarHBondContact CA-O 3.47Å; T114-T151 PolarHBondContact N-O 2.59Å; T114-T151 PolarHBondContact O-N 2.65Å; Q149-T151 PolarHBondContact NE2-OG1 3.44Å; T151-E153 HydrophobicContact CG2-CG 3.84Å
152	V	96.8	Very high	92	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.7	-178.2	-175.2	0	0	0	0	107.7	M35 L58 I59 I107 A111 H112 V113 I150	M35-V152 HydrophobicContact CE-CG2 4.15Å; M35-V152 HydrophobicContact SD-CG2 3.94Å; L58-V152 WeakPolarHBondContact CA-O 3.38Å; I59-V152 HydrophobicContact CB-CB 4.32Å; I59-V152 PolarHBondContact N-O 2.91Å; I59-V152 PolarHBondContact O-N 3.46Å; I107-V152 HydrophobicContact CG2-CB 4.44Å; I107-V152 HydrophobicContact CG2-CG1 3.59Å; I107-V152 HydrophobicContact CG2-CG2 3.92Å; A111-V152 HydrophobicContact CB-CG1 3.41Å; A111-V152 VanDerWaalsContact CB-CG1 3.41Å; H112-V152 WeakPolarHBondContact O-CA 3.4Å; V113-V152 HydrophobicContact CG2-CG2 4.47Å; I150-V152 HydrophobicContact CG2-CG2 4.13Å
153	E	95.5	Very high	91.7	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.8	-172	-67.9	178.9	112.3	0	0	111.4	K57 L58 H112 T151	K57-E153 WeakPolarHBondContact O-CA 3.21Å; L58-E153 HydrophobicContact CD1-CG 3.76Å; H112-E153 HydrophobicContact CB-CB 4.49Å; H112-E153 PolarHBondContact N-O 2.66Å; H112-E153 PolarHBondContact O-N 2.66Å; T151-E153 HydrophobicContact CG2-CG 3.84Å
154	D	93.4	Very high	91.4	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.294	27%	0.274	S	S	.	.	S	Bend	trans	48.3	62.2	-179.5	-85.6	-77.4	0	0	0	114.4	L56 K57 F156 Y157 R163	L56-D154 WeakPolarHBondContact O-CA 3.27Å; K57-D154 PolarHBondContact O-N 3.34Å; K57-D154 VanDerWaalsContact O-N 3.08Å; D154-F156 PolarHBondContact O-N 2.93Å; D154-Y157 WeakPolarHBondContact O-CB 3.28Å; D154-Y157 PolarHBondContact O-N 3.39Å; D154-Y157 VanDerWaalsContact O-N 3.11Å; D154-R163 IonicContact OD1-CZ 3.37Å; D154-R163 IonicContact OD1-NH1 3.21Å; D154-R163 PolarHBondContact OD1-NH1 3.12Å; D154-R163 IonicContact OD1-NH2 2.67Å; D154-R163 PolarHBondContact OD1-NH2 3.29Å
155	L	92.6	Very high	91.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	130.5	178.6	-173.1	67.5	0	0	0	111.9	I25 P28 L56 V110 A111 Y157	I25-L155 HydrophobicContact CG2-CD1 4.36Å; P28-L155 HydrophobicContact CB-CD2 4.27Å; P28-L155 HydrophobicContact CG-CD2 3.89Å; L56-L155 PolarHBondContact O-N 3.34Å; L56-L155 VanDerWaalsContact O-N 3.1Å; V110-L155 HydrophobicContact CG2-CD1 3.83Å; A111-L155 HydrophobicContact CB-CD1 3.91Å; L155-Y157 VanDerWaalsContact C-N 3.34Å
156	F	92.1	Very high	91.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	28.3	-172.9	-47.6	-57.2	0	0	0	114.8	I25 Q26 V110 D154 N158 I159 R162 R163 L166	I25-F156 HydrophobicContact CG2-CE1 4.33Å; I25-F156 HydrophobicContact CG2-CZ 4.17Å; I25-F156 VanDerWaalsContact O-CE1 3.27Å; I25-F156 WeakPolarHBondContact O-CE1 3.4Å; I25-F156 VanDerWaalsContact O-CZ 3.27Å; I25-F156 WeakPolarHBondContact O-CZ 3.32Å; Q26-F156 WeakPolarHBondContact O-CZ 3.41Å; V110-F156 HydrophobicContact CB-CD1 3.95Å; V110-F156 HydrophobicContact CB-CE1 4.24Å; V110-F156 HydrophobicContact CG1-CD1 4.36Å; V110-F156 HydrophobicContact CG2-CD1 4.29Å; V110-F156 HydrophobicContact CG2-CE1 4.12Å; V110-F156 WeakPolarHBondContact O-CA 3.22Å; V110-F156 PolarHBondContact O-N 3.45Å; D154-F156 PolarHBondContact O-N 2.93Å; F156-N158 PolarHBondContact O-N 3.02Å; F156-I159 HydrophobicContact CB-CB 4.44Å; F156-I159 CarbonylContact O-C 3.54Å; F156-I159 PolarHBondContact O-N 3.42Å; F156-R162 HydrophobicContact CD1-CG 4.38Å; F156-R162 HydrophobicContact CD2-CG 4.01Å; F156-R162 HydrophobicContact CE2-CG 4.15Å; F156-R162 HydrophobicContact CG-CB 4.48Å; F156-R162 HydrophobicContact CG-CG 4.13Å; F156-R162 HydrophobicContact CZ-CG 4.41Å; F156-R163 HydrophobicContact CB-CB 4.21Å; F156-L166 HydrophobicContact CD2-CD1 4.01Å; F156-L166 HydrophobicContact CE2-CD1 3.68Å
157	Y	90.3	Very high	90.3	Very high	62 Å²	62	54.9 Å²	54.9	24%	0.243	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.6	174.7	76.3	-77.6	0	0	0	113.5	H112 D154 L155	H112-Y157 AromaticContact CE1-CE1 3.89Å; H112-Y157 AromaticContact CE1-CE2 3.77Å; H112-Y157 AromaticContact CE1-CZ 3.52Å; H112-Y157 AromaticContact NE2-CE2 3.9Å; H112-Y157 AromaticContact NE2-CZ 3.97Å; D154-Y157 WeakPolarHBondContact O-CB 3.28Å; D154-Y157 PolarHBondContact O-N 3.39Å; D154-Y157 VanDerWaalsContact O-N 3.11Å; L155-Y157 VanDerWaalsContact C-N 3.34Å
158	N	87.8	Confident	90.1	Very high	48 Å²	48	58.3 Å²	58.3	26%	0.257	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.1	-179.3	59.3	-0.5	0	0	0	114.2	H109 F156	H109-N158 PolarHBondContact O-ND2 3.47Å; F156-N158 PolarHBondContact O-N 3.02Å
159	I	87.8	Confident	89.9	Confident	35 Å²	35	60 Å²	60	18%	0.179	30%	0.3	C	S	.	.			trans	-120.4	71.9	178.4	-50.6	179.1	0	0	0	109.5	V110 F156 T161 R162 R163	V110-I159 HydrophobicContact CG1-CD1 3.94Å; F156-I159 HydrophobicContact CB-CB 4.44Å; F156-I159 CarbonylContact O-C 3.54Å; F156-I159 PolarHBondContact O-N 3.42Å; I159-T161 PolarHBondContact O-N 3.12Å; I159-T161 VanDerWaalsContact O-N 3.15Å; I159-R162 HydrophobicContact CB-CB 4.33Å; I159-R162 HydrophobicContact CG2-CB 3.7Å; I159-R162 PolarHBondContact O-N 2.83Å; I159-R163 PolarHBondContact O-N 2.92Å
160	M	85.6	Confident	89.6	Confident	106 Å²	106	62.4 Å²	62.4	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-27.4	-174.3	-73.7	-68.2	-80.8	0	0	114.5	K164	M160-K164 VanDerWaalsContact O-CB 3.3Å; M160-K164 WeakPolarHBondContact O-CB 3.35Å; M160-K164 VanDerWaalsContact O-CG 3.23Å; M160-K164 WeakPolarHBondContact O-CG 3.41Å; M160-K164 PolarHBondContact O-N 3.15Å
161	T	88	Confident	89.5	Confident	116 Å²	116	66.6 Å²	66.6	71%	0.712	34%	0.342	S	S	*	.	H	α-helix	trans	-64.8	-46.5	173.4	46.2	0	0	0	0	111.6	I159 K164 A165	I159-T161 PolarHBondContact O-N 3.12Å; I159-T161 VanDerWaalsContact O-N 3.15Å; T161-K164 PolarHBondContact O-N 3.29Å; T161-A165 PolarHBondContact O-N 2.87Å; T161-A165 VanDerWaalsContact O-N 3.16Å
162	R	85.1	Confident	89.3	Confident	71 Å²	71	66.1 Å²	66.1	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-69.6	-42.5	177.5	-172.6	173.7	-68.4	-163.6	-2.8	111.8	G22 I25 F156 I159 K164 A165 L166	G22-R162 VanDerWaalsContact CA-NH1 3.3Å; G22-R162 PolarHBondContact O-NH1 3.38Å; G22-R162 PolarHBondContact O-NH2 3.42Å; I25-R162 PolarHBondContact O-NH1 3.46Å; F156-R162 HydrophobicContact CD1-CG 4.38Å; F156-R162 HydrophobicContact CD2-CG 4.01Å; F156-R162 HydrophobicContact CE2-CG 4.15Å; F156-R162 HydrophobicContact CG-CB 4.48Å; F156-R162 HydrophobicContact CG-CG 4.13Å; F156-R162 HydrophobicContact CZ-CG 4.41Å; I159-R162 HydrophobicContact CB-CB 4.33Å; I159-R162 HydrophobicContact CG2-CB 3.7Å; I159-R162 PolarHBondContact O-N 2.83Å; R162-K164 PolarHBondContact O-N 2.8Å; R162-A165 WeakPolarHBondContact O-CB 3.42Å; R162-A165 PolarHBondContact O-N 3.31Å; R162-L166 PolarHBondContact O-N 3.47Å
163	R	85.8	Confident	89.2	Confident	79 Å²	79	66.9 Å²	66.9	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-36.4	173.3	-162.6	176.6	-174.2	165.1	12.5	112	D154 F156 I159	D154-R163 IonicContact OD1-CZ 3.37Å; D154-R163 IonicContact OD1-NH1 3.21Å; D154-R163 PolarHBondContact OD1-NH1 3.12Å; D154-R163 IonicContact OD1-NH2 2.67Å; D154-R163 PolarHBondContact OD1-NH2 3.29Å; F156-R163 HydrophobicContact CB-CB 4.21Å; I159-R163 PolarHBondContact O-N 2.92Å
164	K	85.5	Confident	89.1	Confident	143 Å²	143	64.2 Å²	64.2	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-76.6	-14.5	174.1	-76.6	177.1	178.3	-177.1	0	115	M160 T161 R162 K167	M160-K164 VanDerWaalsContact O-CB 3.3Å; M160-K164 WeakPolarHBondContact O-CB 3.35Å; M160-K164 VanDerWaalsContact O-CG 3.23Å; M160-K164 WeakPolarHBondContact O-CG 3.41Å; M160-K164 PolarHBondContact O-N 3.15Å; T161-K164 PolarHBondContact O-N 3.29Å; R162-K164 PolarHBondContact O-N 2.8Å; K164-K167 WeakPolarHBondContact O-CE 3.29Å; K164-K167 WeakPolarHBondContact O-CG 3.4Å
165	A	87.1	Confident	89.1	Confident	74 Å²	74	64 Å²	64	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-81.3	-37.8	174.2	0	0	0	0	0	111.6	T161 R162 K167	T161-A165 PolarHBondContact O-N 2.87Å; T161-A165 VanDerWaalsContact O-N 3.16Å; R162-A165 WeakPolarHBondContact O-CB 3.42Å; R162-A165 PolarHBondContact O-N 3.31Å; A165-K167 VanDerWaalsContact C-N 3.25Å; A165-K167 PolarHBondContact O-N 3.27Å
166	L	86.9	Confident	89.2	Confident	14 Å²	14	63.9 Å²	63.9	7%	0.073	33%	0.333	C	S	.	.			trans	-82	63.1	-179.5	-57.9	178.7	0	0	0	111.7	R27 L56 F156 R162 N168 E172	R27-L166 HydrophobicContact CG-CD2 4.15Å; L56-L166 HydrophobicContact CD1-CB 4.18Å; L56-L166 WeakPolarHBondContact CD1-O 3.38Å; L56-L166 HydrophobicContact CD2-CB 4.11Å; L56-L166 HydrophobicContact CD2-CD1 3.84Å; F156-L166 HydrophobicContact CD2-CD1 4.01Å; F156-L166 HydrophobicContact CE2-CD1 3.68Å; R162-L166 PolarHBondContact O-N 3.47Å; L166-N168 PolarHBondContact O-N 3.41Å; L166-E172 HydrophobicContact CD2-CG 4.42Å
167	K	74.6	Confident	89.3	Confident	180 Å²	180	65.8 Å²	65.8	78%	0.783	34%	0.343	S	S	*	.			trans	-74.9	-15.4	-170.1	-64.7	-174.6	-178.7	174.5	0	116	K164 A165 P169	K164-K167 WeakPolarHBondContact O-CE 3.29Å; K164-K167 WeakPolarHBondContact O-CG 3.4Å; A165-K167 VanDerWaalsContact C-N 3.25Å; A165-K167 PolarHBondContact O-N 3.27Å; K167-P169 WeakPolarHBondContact O-CD 3.38Å
168	N	90.7	Very high	89.4	Confident	75 Å²	75	66.2 Å²	66.2	40%	0.401	35%	0.347	S	S	.	.			trans	-118.3	95.8	-171.4	-172.5	-6.2	0	0	0	111.9	L166 S170 E171 E172	L166-N168 PolarHBondContact O-N 3.41Å; N168-S170 PolarHBondContact O-N 2.92Å; N168-S170 PolarHBondContact OD1-N 2.85Å; N168-E171 HydrophobicContact CB-CB 3.87Å; N168-E171 PolarHBondContact O-N 2.95Å; N168-E171 VanDerWaalsContact O-N 3.12Å; N168-E171 PolarHBondContact OD1-N 3.26Å; N168-E172 PolarHBondContact O-N 3.47Å
169	P	91.8	Very high	89.7	Confident	43 Å²	43	64.8 Å²	64.8	28%	0.279	34%	0.34	S	S	.	.	H	α-helix	trans	-51.7	-37.1	176.5	-32.2	38.6	0	0	0	114.7	G54 K167 Y173	G54-P169 WeakPolarHBondContact CA-O 3.31Å; K167-P169 WeakPolarHBondContact O-CD 3.38Å; P169-Y173 WeakPolarHBondContact O-CB 3.45Å; P169-Y173 PolarHBondContact O-N 3.2Å
170	S	91.5	Very high	90.1	Very high	93 Å²	93	63.1 Å²	63.1	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-70.8	-33.2	-178.6	-56	0	0	0	0	112.5	N168 G174	N168-S170 PolarHBondContact O-N 2.92Å; N168-S170 PolarHBondContact OD1-N 2.85Å; S170-G174 PolarHBondContact O-N 3.14Å
171	E	93.1	Very high	90.5	Very high	98 Å²	98	58.2 Å²	58.2	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-73.1	-39.7	178.2	-165	-157.8	130.2	0	0	111.8	N168 G174 K175	N168-E171 HydrophobicContact CB-CB 3.87Å; N168-E171 PolarHBondContact O-N 2.95Å; N168-E171 VanDerWaalsContact O-N 3.12Å; N168-E171 PolarHBondContact OD1-N 3.26Å; E171-G174 PolarHBondContact O-N 3.33Å; E171-K175 WeakPolarHBondContact O-CG 3.43Å; E171-K175 PolarHBondContact O-N 3.21Å; E171-K175 VanDerWaalsContact O-N 3.16Å; E171-K175 PolarHBondContact O-NZ 2.63Å; E171-K175 IonicContact OE1-NZ 3.47Å; E171-K175 PolarHBondContact OE1-NZ 2.95Å
172	E	93.7	Very high	90.8	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-35.2	174.4	-66.7	-57.7	128.9	0	0	111.8	R27 P28 L166 N168 G174 K175 I176	R27-E172 WeakPolarHBondContact CD-OE2 3.44Å; R27-E172 IonicContact CZ-OE1 2.73Å; R27-E172 IonicContact NH1-OE1 3.21Å; R27-E172 PolarHBondContact NH1-OE1 2.95Å; P28-E172 HydrophobicContact CG-CB 4.38Å; L166-E172 HydrophobicContact CD2-CG 4.42Å; N168-E172 PolarHBondContact O-N 3.47Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.36Å; E172-K175 PolarHBondContact O-N 3.22Å; E172-K175 IonicContact OE1-NZ 3.05Å; E172-K175 PolarHBondContact OE1-NZ 3.32Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 3.18Å
173	Y	94.6	Very high	91.2	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-41.9	169.4	-170.8	-114.7	0	0	0	112	V51 P169 K175 I176 L177 V194 K196 D203	V51-Y173 HydrophobicContact CB-CD2 3.93Å; V51-Y173 HydrophobicContact CB-CE2 3.8Å; V51-Y173 HydrophobicContact CG1-CD2 3.92Å; V51-Y173 HydrophobicContact CG1-CE2 4.32Å; V51-Y173 HydrophobicContact CG2-CD2 4.23Å; V51-Y173 HydrophobicContact CG2-CE2 3.92Å; P169-Y173 WeakPolarHBondContact O-CB 3.45Å; P169-Y173 PolarHBondContact O-N 3.2Å; Y173-K175 VanDerWaalsContact C-N 3.33Å; Y173-K175 PolarHBondContact O-N 3.13Å; Y173-I176 WeakPolarHBondContact O-CB 3Å; Y173-I176 PolarHBondContact O-N 2.94Å; Y173-I176 VanDerWaalsContact O-N 3.13Å; Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.27Å; Y173-L177 HydrophobicContact CE1-CD1 3.65Å; Y173-L177 HydrophobicContact CE1-CD2 4.16Å; Y173-L177 HydrophobicContact CE1-CG 3.98Å; Y173-L177 WeakPolarHBondContact O-CG 3.47Å; Y173-L177 PolarHBondContact O-N 2.74Å; Y173-V194 HydrophobicContact CE2-CG1 4.1Å; Y173-K196 HydrophobicContact CD1-CD 4.48Å; Y173-K196 HydrophobicContact CE1-CD 4.06Å; Y173-K196 HydrophobicContact CE1-CG 3.81Å; Y173-K196 HydrophobicContact CE2-CG 3.99Å; Y173-K196 WeakPolarHBondContact OH-CG 3.11Å; Y173-D203 WeakPolarHBondContact CE1-OD2 3.47Å; Y173-D203 VanDerWaalsContact CZ-OD2 3.28Å; Y173-D203 PolarHBondContact OH-OD2 3.12Å
174	G	93.9	Very high	91.6	Very high	32 Å²	32	48 Å²	48	33%	0.33	26%	0.256	S	S	.	.	H	α-helix	trans	-56.8	-42.5	173.3	0	0	0	0	0	113.1	S170 E171 E172 L177 E178	S170-G174 PolarHBondContact O-N 3.14Å; E171-G174 PolarHBondContact O-N 3.33Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.36Å; G174-L177 PolarHBondContact O-N 3.49Å; G174-E178 PolarHBondContact O-N 3.08Å
175	K	93.4	Very high	92	Very high	51 Å²	51	41.1 Å²	41.1	22%	0.222	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-36.8	174.5	-65.4	-176.4	-164.4	76.3	0	112.8	A29 E171 E172 Y173 E178 V179	A29-K175 HydrophobicContact CB-CB 3.95Å; E171-K175 WeakPolarHBondContact O-CG 3.43Å; E171-K175 PolarHBondContact O-N 3.21Å; E171-K175 VanDerWaalsContact O-N 3.16Å; E171-K175 PolarHBondContact O-NZ 2.63Å; E171-K175 IonicContact OE1-NZ 3.47Å; E171-K175 PolarHBondContact OE1-NZ 2.95Å; E172-K175 PolarHBondContact O-N 3.22Å; E172-K175 IonicContact OE1-NZ 3.05Å; E172-K175 PolarHBondContact OE1-NZ 3.32Å; Y173-K175 VanDerWaalsContact C-N 3.33Å; Y173-K175 PolarHBondContact O-N 3.13Å; K175-E178 PolarHBondContact O-N 2.69Å; K175-V179 WeakPolarHBondContact O-CG2 3.35Å; K175-V179 PolarHBondContact O-N 3.3Å
176	I	94.7	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-47.4	173.5	-68.5	169.1	0	0	0	110	P28 A29 I32 V51 G54 E172 Y173 E178 V179 V180 V194	P28-I176 HydrophobicContact CB-CD1 3.91Å; P28-I176 HydrophobicContact CB-CG1 4.44Å; A29-I176 HydrophobicContact CB-CG1 4.34Å; I32-I176 HydrophobicContact CD1-CG2 4.41Å; I32-I176 HydrophobicContact CG1-CD1 4.3Å; I32-I176 HydrophobicContact CG1-CG1 4.07Å; I32-I176 HydrophobicContact CG1-CG2 4.02Å; I32-I176 HydrophobicContact CG2-CG2 4.36Å; V51-I176 HydrophobicContact CG1-CD1 3.85Å; V51-I176 HydrophobicContact CG2-CD1 4.31Å; V51-I176 HydrophobicContact CG2-CG2 4.21Å; G54-I176 WeakPolarHBondContact O-CD1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 3.18Å; Y173-I176 WeakPolarHBondContact O-CB 3Å; Y173-I176 PolarHBondContact O-N 2.94Å; Y173-I176 VanDerWaalsContact O-N 3.13Å; I176-E178 VanDerWaalsContact C-N 3.32Å; I176-E178 PolarHBondContact O-N 2.97Å; I176-V179 PolarHBondContact O-N 3.43Å; I176-V180 HydrophobicContact CG2-CG2 4.27Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 3.01Å; I176-V194 HydrophobicContact CG2-CG1 4.47Å
177	L	94.3	Very high	92.6	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-42.7	175	-66.5	175.1	0	0	0	111.9	Y173 G174 V179 V180 G181 V194 D203 I204	Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.27Å; Y173-L177 HydrophobicContact CE1-CD1 3.65Å; Y173-L177 HydrophobicContact CE1-CD2 4.16Å; Y173-L177 HydrophobicContact CE1-CG 3.98Å; Y173-L177 WeakPolarHBondContact O-CG 3.47Å; Y173-L177 PolarHBondContact O-N 2.74Å; G174-L177 PolarHBondContact O-N 3.49Å; L177-V179 PolarHBondContact O-N 3Å; L177-V180 PolarHBondContact O-N 3.44Å; L177-G181 PolarHBondContact O-N 3.36Å; L177-V194 HydrophobicContact CD2-CB 3.89Å; L177-V194 HydrophobicContact CD2-CG1 3.75Å; L177-V194 HydrophobicContact CD2-CG2 4.4Å; L177-D203 HydrophobicContact CD1-CB 4.36Å; L177-D203 HydrophobicContact CD2-CB 3.89Å; L177-I204 HydrophobicContact CB-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CD1 3.74Å; L177-I204 HydrophobicContact CD2-CG1 3.97Å; L177-I204 HydrophobicContact CG-CD1 4.44Å; L177-I204 VanDerWaalsContact O-CD1 3.24Å; L177-I204 WeakPolarHBondContact O-CD1 3.44Å
178	E	92.8	Very high	93.2	Very high	70 Å²	70	33.3 Å²	33.3	33%	0.327	19%	0.187	S	C	.	.	H	α-helix	trans	-61.7	-40.7	178	-155.5	-177.4	148.2	0	0	112	G174 K175 I176 R182 K255	G174-E178 PolarHBondContact O-N 3.08Å; K175-E178 PolarHBondContact O-N 2.69Å; I176-E178 VanDerWaalsContact C-N 3.32Å; I176-E178 PolarHBondContact O-N 2.97Å; E178-R182 VanDerWaalsContact CD-NH1 3.29Å; E178-R182 WeakPolarHBondContact O-CB 3.42Å; E178-R182 WeakPolarHBondContact O-CD 3.5Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.73Å; E178-R182 VanDerWaalsContact O-N 3.17Å; E178-R182 IonicContact OE1-CZ 2.66Å; E178-R182 VanDerWaalsContact OE1-CZ 3.22Å; E178-R182 IonicContact OE1-NH1 3.83Å; E178-R182 PolarHBondContact OE1-NH1 3.36Å; E178-R182 IonicContact OE1-NH2 2.59Å; E178-R182 PolarHBondContact OE1-NH2 2.68Å; E178-K255 IonicContact OE1-NZ 3.52Å; E178-K255 IonicContact OE2-NZ 3.38Å
179	V	94.1	Very high	93.1	Very high	19 Å²	19	30.8 Å²	30.8	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-50.9	175.5	171.6	0	0	0	0	111.8	A29 I32 K33 K175 I176 L177 G181 R182 Y183	A29-V179 HydrophobicContact CB-CG2 4.23Å; I32-V179 HydrophobicContact CG2-CG1 4.11Å; K33-V179 HydrophobicContact CB-CG1 4.21Å; K175-V179 WeakPolarHBondContact O-CG2 3.35Å; K175-V179 PolarHBondContact O-N 3.3Å; I176-V179 PolarHBondContact O-N 3.43Å; L177-V179 PolarHBondContact O-N 3Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.07Å; V179-R182 WeakPolarHBondContact O-CB 3.21Å; V179-R182 PolarHBondContact O-N 3.14Å; V179-Y183 HydrophobicContact CG1-CD2 4.06Å; V179-Y183 HydrophobicContact CG1-CE2 4.16Å; V179-Y183 WeakPolarHBondContact O-CD2 3.5Å; V179-Y183 PolarHBondContact O-N 3.05Å; V179-Y183 VanDerWaalsContact O-N 3.09Å
180	V	94.8	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-41.1	-178.8	-173.1	0	0	0	0	111	I32 I36 V49 I176 L177 R182 Y183 S184 F192 V194	I32-V180 HydrophobicContact CG2-CG2 3.93Å; I36-V180 HydrophobicContact CD1-CB 4.38Å; I36-V180 HydrophobicContact CD1-CG1 4.34Å; I36-V180 HydrophobicContact CD1-CG2 3.72Å; V49-V180 HydrophobicContact CG2-CG2 4.42Å; I176-V180 HydrophobicContact CG2-CG2 4.27Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 3.01Å; L177-V180 PolarHBondContact O-N 3.44Å; V180-R182 PolarHBondContact O-N 3.38Å; V180-Y183 PolarHBondContact O-N 3Å; V180-S184 VanDerWaalsContact O-CB 3.31Å; V180-S184 WeakPolarHBondContact O-CB 3.48Å; V180-S184 PolarHBondContact O-N 3.18Å; V180-S184 PolarHBondContact O-OG 3.03Å; V180-F192 HydrophobicContact CG1-CB 4.16Å; V180-F192 HydrophobicContact CG1-CD1 3.84Å; V180-F192 HydrophobicContact CG1-CG 4.36Å; V180-V194 HydrophobicContact CB-CG2 3.59Å; V180-V194 HydrophobicContact CG1-CG2 3.5Å; V180-V194 HydrophobicContact CG2-CG2 3.67Å
181	G	94	Very high	93.2	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-55	-49.5	175	0	0	0	0	0	111.9	L177 V179 S184 I185	L177-G181 PolarHBondContact O-N 3.36Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.07Å; G181-S184 PolarHBondContact O-N 3.42Å; G181-S184 PolarHBondContact O-OG 3.28Å; G181-I185 WeakPolarHBondContact O-CG1 3.44Å; G181-I185 PolarHBondContact O-N 3.22Å; G181-I185 VanDerWaalsContact O-N 3.09Å
182	R	94.6	Very high	93.3	Very high	51 Å²	51	21.7 Å²	21.7	19%	0.192	13%	0.125	C	C	.	.	H	α-helix	trans	-54	-56.5	174.3	-82.3	169.6	165.4	131.8	7.9	112.9	E178 V179 V180 S184 I185 H186 F258 L259 F261 L266	E178-R182 VanDerWaalsContact CD-NH1 3.29Å; E178-R182 WeakPolarHBondContact O-CB 3.42Å; E178-R182 WeakPolarHBondContact O-CD 3.5Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.73Å; E178-R182 VanDerWaalsContact O-N 3.17Å; E178-R182 IonicContact OE1-CZ 2.66Å; E178-R182 VanDerWaalsContact OE1-CZ 3.22Å; E178-R182 IonicContact OE1-NH1 3.83Å; E178-R182 PolarHBondContact OE1-NH1 3.36Å; E178-R182 IonicContact OE1-NH2 2.59Å; E178-R182 PolarHBondContact OE1-NH2 2.68Å; V179-R182 WeakPolarHBondContact O-CB 3.21Å; V179-R182 PolarHBondContact O-N 3.14Å; V180-R182 PolarHBondContact O-N 3.38Å; R182-S184 PolarHBondContact O-N 3.49Å; R182-I185 PolarHBondContact O-N 3.39Å; R182-H186 PolarHBondContact O-N 3.11Å; R182-F258 PolarHBondContact NH2-O 3.23Å; R182-L259 HydrophobicContact CB-CD2 4.31Å; R182-L259 HydrophobicContact CG-CD2 3.7Å; R182-L259 HydrophobicContact CG-CG 3.83Å; R182-F261 HydrophobicContact CB-CE2 4.44Å; R182-F261 HydrophobicContact CB-CZ 4.08Å; R182-F261 WeakPolarHBondContact O-CZ 3.36Å; R182-L266 HydrophobicContact CB-CD1 4.42Å; R182-L266 HydrophobicContact CB-CD2 4.21Å; R182-L266 HydrophobicContact CG-CD1 4.38Å
183	Y	94.3	Very high	93.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-31.9	-178.5	-83.8	-95.8	0	0	0	112.5	K33 I36 E37 L40 Y97 V179 V180 N187 F261 L266	K33-Y183 WeakPolarHBondContact CE-OH 3.49Å; K33-Y183 HydrophobicContact CG-CE2 4.02Å; K33-Y183 WeakPolarHBondContact CG-OH 3.45Å; I36-Y183 HydrophobicContact CG2-CD1 3.94Å; I36-Y183 HydrophobicContact CG2-CG 4Å; E37-Y183 HydrophobicContact CG-CE1 3.96Å; E37-Y183 PolarHBondContact OE1-OH 3.16Å; L40-Y183 HydrophobicContact CD1-CD1 3.84Å; L40-Y183 HydrophobicContact CD1-CE1 4.39Å; Y97-Y183 HydrophobicContact CD1-CE1 4.24Å; Y97-Y183 HydrophobicContact CE1-CD1 4.48Å; Y97-Y183 AromaticContact CE1-CE1 3.96Å; Y97-Y183 HydrophobicContact CE1-CE1 3.96Å; V179-Y183 HydrophobicContact CG1-CD2 4.06Å; V179-Y183 HydrophobicContact CG1-CE2 4.16Å; V179-Y183 WeakPolarHBondContact O-CD2 3.5Å; V179-Y183 PolarHBondContact O-N 3.05Å; V179-Y183 VanDerWaalsContact O-N 3.09Å; V180-Y183 PolarHBondContact O-N 3Å; Y183-N187 VanDerWaalsContact O-CB 3.3Å; Y183-N187 WeakPolarHBondContact O-CB 3.45Å; Y183-N187 PolarHBondContact O-N 3.45Å; Y183-N187 PolarHBondContact O-ND2 3.38Å; Y183-F261 HydrophobicContact CD1-CE1 4.42Å; Y183-F261 HydrophobicContact CE1-CE1 4.47Å; Y183-L266 HydrophobicContact CD2-CB 4.46Å; Y183-L266 HydrophobicContact CD2-CD2 4.29Å; Y183-L266 HydrophobicContact CE2-CB 3.58Å; Y183-L266 HydrophobicContact CE2-CD2 3.74Å; Y183-L266 HydrophobicContact CE2-CG 4.33Å
184	S	94.4	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75.2	-23	178.4	73.9	0	0	0	0	114.8	V180 G181 R182 N215 I219	V180-S184 VanDerWaalsContact O-CB 3.31Å; V180-S184 WeakPolarHBondContact O-CB 3.48Å; V180-S184 PolarHBondContact O-N 3.18Å; V180-S184 PolarHBondContact O-OG 3.03Å; G181-S184 PolarHBondContact O-N 3.42Å; G181-S184 PolarHBondContact O-OG 3.28Å; R182-S184 PolarHBondContact O-N 3.49Å; S184-N215 PolarHBondContact O-ND2 3.29Å; S184-I219 WeakPolarHBondContact OG-CD1 3.1Å
185	I	93.6	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-76.1	-47	171.5	-72.8	163.2	0	0	0	110.1	G181 R182 T212 N215 I216 I219 F220 L259 Y293	G181-I185 WeakPolarHBondContact O-CG1 3.44Å; G181-I185 PolarHBondContact O-N 3.22Å; G181-I185 VanDerWaalsContact O-N 3.09Å; R182-I185 PolarHBondContact O-N 3.39Å; I185-T212 HydrophobicContact CG2-CG2 3.86Å; I185-N215 HydrophobicContact CG1-CB 4.1Å; I185-I216 HydrophobicContact CD1-CG1 3.95Å; I185-I216 HydrophobicContact CG1-CG1 4.02Å; I185-I216 HydrophobicContact CG2-CD1 4.07Å; I185-I216 HydrophobicContact CG2-CG1 3.66Å; I185-I219 HydrophobicContact CD1-CB 4.49Å; I185-I219 HydrophobicContact CD1-CD1 3.99Å; I185-I219 HydrophobicContact CD1-CG2 4.49Å; I185-I219 HydrophobicContact CG1-CD1 3.78Å; I185-F220 HydrophobicContact CD1-CD2 3.85Å; I185-F220 HydrophobicContact CD1-CE2 3.48Å; I185-F220 VanDerWaalsContact CD1-CE2 3.48Å; I185-L259 HydrophobicContact CB-CD2 4.43Å; I185-L259 HydrophobicContact CD1-CD2 3.86Å; I185-L259 HydrophobicContact CG2-CD2 4.45Å; I185-Y293 HydrophobicContact CG2-CD1 4.49Å; I185-Y293 HydrophobicContact CG2-CD2 3.86Å; I185-Y293 HydrophobicContact CG2-CE2 3.97Å; I185-Y293 HydrophobicContact CG2-CG 4.13Å
186	H	94.3	Very high	93.4	Very high	23 Å²	23	23.6 Å²	23.6	11%	0.106	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-46.9	178.8	-177.7	80.9	0	0	0	112.4	R182 S188 F261 H264 Y293 S295	R182-H186 PolarHBondContact O-N 3.11Å; H186-S188 VanDerWaalsContact C-N 3.27Å; H186-S188 PolarHBondContact O-N 3.45Å; H186-S188 VanDerWaalsContact O-N 3.08Å; H186-F261 HydrophobicContact CB-CD1 3.98Å; H186-F261 HydrophobicContact CB-CD2 3.92Å; H186-F261 HydrophobicContact CB-CE1 3.74Å; H186-F261 HydrophobicContact CB-CE2 3.69Å; H186-F261 HydrophobicContact CB-CG 4.07Å; H186-F261 HydrophobicContact CB-CZ 3.59Å; H186-F261 AromaticContact CG-CD1 3.59Å; H186-F261 AromaticContact CG-CE1 3.83Å; H186-F261 AromaticContact CG-CG 3.68Å; H186-F261 WeakPolarHBondContact ND1-CB 3.39Å; H186-F261 AromaticContact ND1-CD1 3.69Å; H186-F261 AromaticContact ND1-CD2 3.74Å; H186-F261 AromaticContact ND1-CG 3.33Å; H186-F261 VanDerWaalsContact ND1-CG 3.33Å; H186-F261 WeakPolarHBondContact ND1-CG 3.19Å; H186-H264 AromaticContact CE1-ND1 3.27Å; H186-H264 PolarHBondContact CE1-ND1 2.89Å; H186-H264 VanDerWaalsContact CE1-ND1 3.27Å; H186-H264 WeakPolarHBondContact NE2-CA 3.27Å; H186-H264 WeakPolarHBondContact NE2-CB 3.45Å; H186-H264 AromaticContact NE2-CD2 3.89Å; H186-H264 AromaticContact NE2-CE1 3.57Å; H186-H264 AromaticContact NE2-CG 2.62Å; H186-H264 AromaticContact NE2-ND1 2.35Å; H186-H264 PolarHBondContact NE2-ND1 2.78Å; H186-Y293 HydrophobicContact CB-CE2 4.21Å; H186-Y293 PolarHBondContact ND1-OH 3.05Å; H186-S295 WeakPolarHBondContact CE1-CB 3.44Å; H186-S295 PolarHBondContact CE1-OG 3.32Å
187	N	91.6	Very high	93.3	Very high	22 Å²	22	27.9 Å²	27.9	12%	0.118	15%	0.147	C	C	.	.	S	Bend	trans	-88.2	59.9	178.8	-64.8	-85.9	0	0	0	111.4	L40 Y97 Y183 I190 F192	L40-N187 HydrophobicContact CD2-CB 4.37Å; Y97-N187 PolarHBondContact OH-OD1 3.28Å; Y183-N187 VanDerWaalsContact O-CB 3.3Å; Y183-N187 WeakPolarHBondContact O-CB 3.45Å; Y183-N187 PolarHBondContact O-N 3.45Å; Y183-N187 PolarHBondContact O-ND2 3.38Å; N187-I190 HydrophobicContact CB-CB 4.43Å; N187-I190 HydrophobicContact CB-CD1 4.16Å; N187-I190 PolarHBondContact O-N 3.44Å; N187-F192 HydrophobicContact CB-CE2 4.03Å; N187-F192 HydrophobicContact CB-CZ 4.29Å
188	S	87.7	Confident	92.8	Very high	58 Å²	58	29.8 Å²	29.8	41%	0.406	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	144.4	173.8	57.5	0	0	0	0	111.6	H186 I190	H186-S188 VanDerWaalsContact C-N 3.27Å; H186-S188 PolarHBondContact O-N 3.45Å; H186-S188 VanDerWaalsContact O-N 3.08Å; S188-I190 VanDerWaalsContact C-N 3.3Å; S188-I190 PolarHBondContact O-N 2.63Å
189	G	87.2	Confident	92.7	Very high	23 Å²	23	30.4 Å²	30.4	24%	0.237	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-27.5	-172.3	0	0	0	0	0	115.4	N209 A210	G189-N209 PolarHBondContact O-N 3.42Å; G189-A210 PolarHBondContact N-O 2.95Å
190	I	92.6	Very high	92.1	Very high	29 Å²	29	36.3 Å²	36.3	15%	0.149	22%	0.215	C	C	.	.	S	Bend	trans	-82.4	134.5	175.5	-62.1	-177.5	0	0	0	110.2	L40 S44 I47 N187 S188 F192 T206	L40-I190 HydrophobicContact CD2-CD1 3.54Å; S44-I190 WeakPolarHBondContact O-CD1 3.36Å; I47-I190 HydrophobicContact CD1-CG2 4.36Å; N187-I190 HydrophobicContact CB-CB 4.43Å; N187-I190 HydrophobicContact CB-CD1 4.16Å; N187-I190 PolarHBondContact O-N 3.44Å; S188-I190 VanDerWaalsContact C-N 3.3Å; S188-I190 PolarHBondContact O-N 2.63Å; I190-F192 HydrophobicContact CB-CD2 4.37Å; I190-F192 HydrophobicContact CB-CE2 3.8Å; I190-F192 HydrophobicContact CG2-CD2 3.96Å; I190-F192 HydrophobicContact CG2-CE2 3.49Å; I190-F192 VanDerWaalsContact CG2-CE2 3.49Å; I190-F192 HydrophobicContact CG2-CZ 4.01Å; I190-F192 WeakPolarHBondContact O-CD2 3.41Å; I190-T206 PolarHBondContact O-OG1 3.34Å; I190-T206 VanDerWaalsContact O-OG1 3.07Å
191	S	93.9	Very high	91.7	Very high	14 Å²	14	41.6 Å²	41.6	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.6	177.8	178.4	0	0	0	0	110.6	T45 N46 I47	T45-S191 PolarHBondContact O-N 3.28Å; N46-S191 CarbonylContact C-O 3.58Å; N46-S191 WeakPolarHBondContact CA-O 3.5Å; I47-S191 PolarHBondContact N-O 3.3Å
192	F	95.3	Very high	91.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143	173.3	-71.6	-96.9	0	0	0	110.4	I36 L40 I47 V180 N187 I190 R205 T206	I36-F192 HydrophobicContact CG2-CE1 4.01Å; L40-F192 HydrophobicContact CD2-CZ 4.28Å; I47-F192 HydrophobicContact CB-CD1 4.08Å; I47-F192 HydrophobicContact CB-CE1 4.22Å; I47-F192 HydrophobicContact CD1-CE1 3.8Å; I47-F192 HydrophobicContact CD1-CZ 4.05Å; I47-F192 HydrophobicContact CG2-CD1 4.26Å; I47-F192 HydrophobicContact CG2-CE1 4.36Å; I47-F192 CarbonylContact O-C 3.47Å; I47-F192 WeakPolarHBondContact O-CA 3.37Å; V180-F192 HydrophobicContact CG1-CB 4.16Å; V180-F192 HydrophobicContact CG1-CD1 3.84Å; V180-F192 HydrophobicContact CG1-CG 4.36Å; N187-F192 HydrophobicContact CB-CE2 4.03Å; N187-F192 HydrophobicContact CB-CZ 4.29Å; I190-F192 HydrophobicContact CB-CD2 4.37Å; I190-F192 HydrophobicContact CB-CE2 3.8Å; I190-F192 HydrophobicContact CG2-CD2 3.96Å; I190-F192 HydrophobicContact CG2-CE2 3.49Å; I190-F192 VanDerWaalsContact CG2-CE2 3.49Å; I190-F192 HydrophobicContact CG2-CZ 4.01Å; I190-F192 WeakPolarHBondContact O-CD2 3.41Å; F192-R205 VanDerWaalsContact O-CA 3.31Å; F192-R205 WeakPolarHBondContact O-CA 3.49Å; F192-T206 PolarHBondContact N-OG1 2.95Å; F192-T206 PolarHBondContact O-N 2.75Å
193	S	94.8	Very high	91.1	Very high	19 Å²	19	44 Å²	44	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.9	169.7	-173.4	0	0	0	0	111.9	I47 V49 A202 I204	I47-S193 PolarHBondContact O-N 3.29Å; V49-S193 PolarHBondContact N-O 2.84Å; S193-A202 WeakPolarHBondContact OG-CB 3.44Å; S193-I204 CarbonylContact C-O 3.52Å; S193-I204 VanDerWaalsContact CA-O 3.29Å; S193-I204 WeakPolarHBondContact CA-O 3.29Å
194	V	95.5	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.1	171.6	-167	0	0	0	0	110	V49 V51 Y173 I176 L177 V180 A202 D203 I204	V49-V194 HydrophobicContact CB-CG1 4.36Å; V49-V194 HydrophobicContact CB-CG2 4.33Å; V49-V194 HydrophobicContact CG1-CG1 4.33Å; V49-V194 WeakPolarHBondContact O-CA 3.29Å; V51-V194 HydrophobicContact CG2-CG1 4.46Å; Y173-V194 HydrophobicContact CE2-CG1 4.1Å; I176-V194 HydrophobicContact CG2-CG1 4.47Å; L177-V194 HydrophobicContact CD2-CB 3.89Å; L177-V194 HydrophobicContact CD2-CG1 3.75Å; L177-V194 HydrophobicContact CD2-CG2 4.4Å; V180-V194 HydrophobicContact CB-CG2 3.59Å; V180-V194 HydrophobicContact CG1-CG2 3.5Å; V180-V194 HydrophobicContact CG2-CG2 3.67Å; V194-A202 CarbonylContact O-C 3.59Å; V194-A202 VanDerWaalsContact O-CA 3.24Å; V194-A202 WeakPolarHBondContact O-CA 3.46Å; V194-A202 WeakPolarHBondContact O-CB 3.4Å; V194-D203 PolarHBondContact O-N 2.9Å; V194-I204 HydrophobicContact CB-CB 4.26Å; V194-I204 HydrophobicContact CG2-CB 4.1Å; V194-I204 PolarHBondContact N-O 3.05Å; V194-I204 PolarHBondContact O-N 2.75Å
195	K	94.4	Very high	90.8	Very high	61 Å²	61	52.8 Å²	52.8	27%	0.265	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.6	175.2	63.2	-174.9	175.2	-173.4	0	112.4	V49 I50 V51 A202	V49-K195 PolarHBondContact O-N 3.31Å; I50-K195 WeakPolarHBondContact CA-O 3.39Å; I50-K195 HydrophobicContact CG1-CG 4.17Å; I50-K195 HydrophobicContact CG2-CG 4.44Å; V51-K195 PolarHBondContact N-O 3.14Å; K195-A202 HydrophobicContact CB-CB 4.34Å
196	K	93.8	Very high	90.7	Very high	65 Å²	65	52.9 Å²	52.9	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.9	171.3	-49.2	-178.9	-148.9	60.7	0	110.1	V51 Y173 G198 E199 D203	V51-K196 CarbonylContact O-C 3.39Å; V51-K196 WeakPolarHBondContact O-CA 3.47Å; Y173-K196 HydrophobicContact CD1-CD 4.48Å; Y173-K196 HydrophobicContact CE1-CD 4.06Å; Y173-K196 HydrophobicContact CE1-CG 3.81Å; Y173-K196 HydrophobicContact CE2-CG 3.99Å; Y173-K196 WeakPolarHBondContact OH-CG 3.11Å; K196-G198 PolarHBondContact O-N 3.47Å; K196-E199 HydrophobicContact CB-CG 4.19Å; K196-E199 WeakPolarHBondContact CB-OE2 3.23Å; K196-E199 WeakPolarHBondContact CD-OE1 3.37Å; K196-E199 WeakPolarHBondContact CD-OE2 3.31Å; K196-E199 VanDerWaalsContact CG-OE2 3.3Å; K196-E199 WeakPolarHBondContact CG-OE2 3.3Å; K196-E199 VanDerWaalsContact NZ-CD 3.3Å; K196-E199 IonicContact NZ-OE1 3.22Å; K196-E199 PolarHBondContact NZ-OE1 3.28Å; K196-E199 VanDerWaalsContact NZ-OE1 3.13Å; K196-E199 IonicContact NZ-OE2 2.66Å; K196-E199 PolarHBondContact NZ-OE2 3.48Å; K196-E199 PolarHBondContact O-N 3.33Å; K196-E199 VanDerWaalsContact O-N 3.09Å; K196-D203 IonicContact NZ-OD1 3.13Å; K196-D203 PolarHBondContact NZ-OD1 3.39Å; K196-D203 IonicContact NZ-OD2 3.34Å; K196-D203 PolarHBondContact NZ-OD2 3.05Å
197	Q	90.8	Very high	90.5	Very high	90 Å²	90	56.8 Å²	56.8	42%	0.421	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	106.6	-179.6	-169.5	-164.7	49.6	0	0	110.7	I50 V51 K52 L58	I50-Q197 HydrophobicContact CG2-CB 3.86Å; I50-Q197 HydrophobicContact CG2-CG 4.24Å; V51-Q197 PolarHBondContact O-N 2.88Å; K52-Q197 HydrophobicContact CB-CB 4.17Å; K52-Q197 HydrophobicContact CD-CB 4.14Å; L58-Q197 HydrophobicContact CD2-CG 4.36Å
198	G	85.4	Confident	90	Very high	79 Å²	79	59.6 Å²	59.6	81%	0.814	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.9	-15.7	-177.4	0	0	0	0	0	113.1	K196	K196-G198 PolarHBondContact O-N 3.47Å
199	E	89.8	Confident	89.9	Confident	83 Å²	83	64 Å²	64	39%	0.388	36%	0.361	S	S	.	.			trans	-91.2	136.7	174.6	-67.3	175.7	173.3	0	0	111.2	K196	K196-E199 HydrophobicContact CB-CG 4.19Å; K196-E199 WeakPolarHBondContact CB-OE2 3.23Å; K196-E199 WeakPolarHBondContact CD-OE1 3.37Å; K196-E199 WeakPolarHBondContact CD-OE2 3.31Å; K196-E199 VanDerWaalsContact CG-OE2 3.3Å; K196-E199 WeakPolarHBondContact CG-OE2 3.3Å; K196-E199 VanDerWaalsContact NZ-CD 3.3Å; K196-E199 IonicContact NZ-OE1 3.22Å; K196-E199 PolarHBondContact NZ-OE1 3.28Å; K196-E199 VanDerWaalsContact NZ-OE1 3.13Å; K196-E199 IonicContact NZ-OE2 2.66Å; K196-E199 PolarHBondContact NZ-OE2 3.48Å; K196-E199 PolarHBondContact O-N 3.33Å; K196-E199 VanDerWaalsContact O-N 3.09Å
200	T	81.3	Confident	90	Very high	144 Å²	144	63.5 Å²	63.5	88%	0.883	36%	0.355	S	S	*	.	S	Bend	trans	-82.6	-27.4	176.8	-50	0	0	0	0	112.2
201	V	86.9	Confident	89.9	Confident	110 Å²	110	65.6 Å²	65.6	67%	0.667	37%	0.369	S	S	*	.	S	Bend	trans	-82.9	144.3	176.9	-176	0	0	0	0	109.1
202	A	87.1	Confident	89.8	Confident	28 Å²	28	66 Å²	66	23%	0.231	37%	0.371	C	S	.	.			trans	-100.6	129.2	171.6	0	0	0	0	0	109.4	S193 V194 K195 I204 R205	S193-A202 WeakPolarHBondContact OG-CB 3.44Å; V194-A202 CarbonylContact O-C 3.59Å; V194-A202 VanDerWaalsContact O-CA 3.24Å; V194-A202 WeakPolarHBondContact O-CA 3.46Å; V194-A202 WeakPolarHBondContact O-CB 3.4Å; K195-A202 HydrophobicContact CB-CB 4.34Å; A202-I204 VanDerWaalsContact C-N 3.31Å; A202-R205 HydrophobicContact CB-CB 4.38Å
203	D	89.3	Confident	89.7	Confident	77 Å²	77	67.4 Å²	67.4	41%	0.412	38%	0.38	S	S	.	.	S	Bend	trans	-69.3	-31.7	178.8	-65.6	-60.3	0	0	0	111.4	Y173 L177 V194 K196	Y173-D203 WeakPolarHBondContact CE1-OD2 3.47Å; Y173-D203 VanDerWaalsContact CZ-OD2 3.28Å; Y173-D203 PolarHBondContact OH-OD2 3.12Å; L177-D203 HydrophobicContact CD1-CB 4.36Å; L177-D203 HydrophobicContact CD2-CB 3.89Å; V194-D203 PolarHBondContact O-N 2.9Å; K196-D203 IonicContact NZ-OD1 3.13Å; K196-D203 PolarHBondContact NZ-OD1 3.39Å; K196-D203 IonicContact NZ-OD2 3.34Å; K196-D203 PolarHBondContact NZ-OD2 3.05Å
204	I	90.6	Very high	89.6	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.077	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	167.9	-70.4	171.7	0	0	0	108.6	L177 S193 V194 A202	L177-I204 HydrophobicContact CB-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CD1 3.74Å; L177-I204 HydrophobicContact CD2-CG1 3.97Å; L177-I204 HydrophobicContact CG-CD1 4.44Å; L177-I204 VanDerWaalsContact O-CD1 3.24Å; L177-I204 WeakPolarHBondContact O-CD1 3.44Å; S193-I204 CarbonylContact C-O 3.52Å; S193-I204 VanDerWaalsContact CA-O 3.29Å; S193-I204 WeakPolarHBondContact CA-O 3.29Å; V194-I204 HydrophobicContact CB-CB 4.26Å; V194-I204 HydrophobicContact CG2-CB 4.1Å; V194-I204 PolarHBondContact N-O 3.05Å; V194-I204 PolarHBondContact O-N 2.75Å; A202-I204 VanDerWaalsContact C-N 3.31Å
205	R	91.9	Very high	89.4	Confident	168 Å²	168	69.3 Å²	69.3	63%	0.634	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	109.3	171.5	-177.8	-179.9	177.4	-174.5	-1.3	110.5	F192 A202	F192-R205 VanDerWaalsContact O-CA 3.31Å; F192-R205 WeakPolarHBondContact O-CA 3.49Å; A202-R205 HydrophobicContact CB-CB 4.38Å
206	T	91.4	Very high	89.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-87.3	162.1	165.8	63.9	0	0	0	0	110.4	I190 F192 N215 I219	I190-T206 PolarHBondContact O-OG1 3.34Å; I190-T206 VanDerWaalsContact O-OG1 3.07Å; F192-T206 PolarHBondContact N-OG1 2.95Å; F192-T206 PolarHBondContact O-N 2.75Å; T206-N215 WeakPolarHBondContact CB-OD1 3.13Å; T206-N215 HydrophobicContact CG2-CB 4.15Å; T206-N215 WeakPolarHBondContact CG2-OD1 3.26Å; T206-I219 HydrophobicContact CG2-CD1 4.29Å
207	L	88.4	Confident	89.3	Confident	105 Å²	105	68.5 Å²	68.5	55%	0.55	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-98	148	174.9	-61.5	174.3	0	0	0	110.2	N209 A210	L207-N209 PolarHBondContact O-N 3.19Å; L207-A210 HydrophobicContact CB-CB 4.21Å; L207-A210 VanDerWaalsContact O-CB 3.27Å; L207-A210 WeakPolarHBondContact O-CB 3.23Å; L207-A210 PolarHBondContact O-N 3.13Å; L207-A210 VanDerWaalsContact O-N 3.17Å
208	P	82.9	Confident	89.3	Confident	82 Å²	82	67.9 Å²	67.9	53%	0.532	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138.1	163.5	-18.1	28.7	0	0	0	109.9	A210	P208-A210 PolarHBondContact O-N 3.25Å
209	N	84.6	Confident	89.6	Confident	149 Å²	149	66.1 Å²	66.1	80%	0.797	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	15.5	-177.5	-51.5	-25.4	0	0	0	115.8	G189 L207	G189-N209 PolarHBondContact O-N 3.42Å; L207-N209 PolarHBondContact O-N 3.19Å
210	A	88.6	Confident	89.6	Confident	13 Å²	13	65.2 Å²	65.2	11%	0.107	35%	0.354	C	S	.	.			trans	-68.2	142.3	171.5	0	0	0	0	0	112.3	G189 L207 P208 D214 N215	G189-A210 PolarHBondContact N-O 2.95Å; L207-A210 HydrophobicContact CB-CB 4.21Å; L207-A210 VanDerWaalsContact O-CB 3.27Å; L207-A210 WeakPolarHBondContact O-CB 3.23Å; L207-A210 PolarHBondContact O-N 3.13Å; L207-A210 VanDerWaalsContact O-N 3.17Å; P208-A210 PolarHBondContact O-N 3.25Å; A210-D214 HydrophobicContact CB-CB 4.46Å; A210-N215 WeakPolarHBondContact CB-OD1 3.36Å
211	T	91.7	Very high	90	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.454	33%	0.326	S	S	.	.			trans	-74.3	160.8	174.5	74.7	0	0	0	0	111.5	V213 D214 N215	T211-V213 PolarHBondContact O-N 3.38Å; T211-V213 PolarHBondContact OG1-N 3.02Å; T211-D214 WeakPolarHBondContact CB-OD2 3.33Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.33Å; T211-D214 PolarHBondContact O-N 2.78Å; T211-D214 VanDerWaalsContact O-N 3.14Å; T211-D214 VanDerWaalsContact OG1-CG 3.22Å; T211-D214 PolarHBondContact OG1-N 3.24Å; T211-D214 VanDerWaalsContact OG1-N 3.11Å; T211-D214 PolarHBondContact OG1-OD2 3.31Å; T211-N215 PolarHBondContact O-N 2.79Å
212	T	92.2	Very high	90.1	Very high	21 Å²	21	57.6 Å²	57.6	13%	0.129	32%	0.316	C	S	.	.	H	α-helix	trans	-53.1	-41.1	172.2	-49.3	0	0	0	0	111.9	I185 N215 I216 Y245 Y293	I185-T212 HydrophobicContact CG2-CG2 3.86Å; T212-N215 PolarHBondContact O-N 2.91Å; T212-I216 HydrophobicContact CG2-CD1 4.12Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 2.74Å; T212-I216 PolarHBondContact O-N 3.14Å; T212-Y245 HydrophobicContact CG2-CD2 3.79Å; T212-Y245 HydrophobicContact CG2-CE2 3.73Å; T212-Y293 HydrophobicContact CG2-CD1 4.13Å; T212-Y293 HydrophobicContact CG2-CE1 3.65Å
213	V	92.7	Very high	90.2	Very high	31 Å²	31	58.6 Å²	58.6	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-39.1	178.9	178	0	0	0	0	111.7	T211 I216 R217 L228 Y245	T211-V213 PolarHBondContact O-N 3.38Å; T211-V213 PolarHBondContact OG1-N 3.02Å; V213-I216 PolarHBondContact O-N 3.25Å; V213-R217 WeakPolarHBondContact O-CB 3.48Å; V213-R217 PolarHBondContact O-N 2.88Å; V213-L228 HydrophobicContact CG1-CD1 4.35Å; V213-Y245 HydrophobicContact CG2-CD1 4.27Å; V213-Y245 HydrophobicContact CG2-CD2 4.42Å; V213-Y245 HydrophobicContact CG2-CE1 3.88Å; V213-Y245 HydrophobicContact CG2-CE2 4.03Å
214	D	91.8	Very high	90.3	Very high	57 Å²	57	55 Å²	55	31%	0.305	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-36.6	175.9	-61.6	-54	0	0	0	111.9	A210 T211 R217 S218	A210-D214 HydrophobicContact CB-CB 4.46Å; T211-D214 WeakPolarHBondContact CB-OD2 3.33Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.33Å; T211-D214 PolarHBondContact O-N 2.78Å; T211-D214 VanDerWaalsContact O-N 3.14Å; T211-D214 VanDerWaalsContact OG1-CG 3.22Å; T211-D214 PolarHBondContact OG1-N 3.24Å; T211-D214 VanDerWaalsContact OG1-N 3.11Å; T211-D214 PolarHBondContact OG1-OD2 3.31Å; D214-R217 WeakPolarHBondContact O-CB 3.5Å; D214-R217 PolarHBondContact O-N 3.05Å; D214-R217 IonicContact OD1-CZ 2.68Å; D214-R217 IonicContact OD1-NH1 2.73Å; D214-R217 PolarHBondContact OD1-NH1 2.93Å; D214-R217 IonicContact OD1-NH2 3.79Å; D214-S218 WeakPolarHBondContact O-CB 3.34Å; D214-S218 PolarHBondContact O-N 3.05Å
215	N	92.8	Very high	90.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.011	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-44	173.9	-70.9	-10.5	0	0	0	111.1	S184 I185 T206 A210 T211 T212 R217 S218 I219	S184-N215 PolarHBondContact O-ND2 3.29Å; I185-N215 HydrophobicContact CG1-CB 4.1Å; T206-N215 WeakPolarHBondContact CB-OD1 3.13Å; T206-N215 HydrophobicContact CG2-CB 4.15Å; T206-N215 WeakPolarHBondContact CG2-OD1 3.26Å; A210-N215 WeakPolarHBondContact CB-OD1 3.36Å; T211-N215 PolarHBondContact O-N 2.79Å; T212-N215 PolarHBondContact O-N 2.91Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 3.19Å; N215-S218 PolarHBondContact O-N 3.16Å; N215-S218 VanDerWaalsContact O-N 3.17Å; N215-I219 WeakPolarHBondContact O-CB 3.3Å; N215-I219 WeakPolarHBondContact O-CD1 3.25Å; N215-I219 WeakPolarHBondContact O-CG1 3.4Å; N215-I219 PolarHBondContact O-N 3.2Å
216	I	93.1	Very high	90.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-44.4	171.8	-66.2	162.5	0	0	0	110.5	I185 T212 V213 S218 I219 F220 V224 L228 Y245 F291	I185-I216 HydrophobicContact CD1-CG1 3.95Å; I185-I216 HydrophobicContact CG1-CG1 4.02Å; I185-I216 HydrophobicContact CG2-CD1 4.07Å; I185-I216 HydrophobicContact CG2-CG1 3.66Å; T212-I216 HydrophobicContact CG2-CD1 4.12Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 2.74Å; T212-I216 PolarHBondContact O-N 3.14Å; V213-I216 PolarHBondContact O-N 3.25Å; I216-S218 VanDerWaalsContact C-N 3.31Å; I216-S218 PolarHBondContact O-N 2.93Å; I216-I219 PolarHBondContact O-N 3.43Å; I216-F220 HydrophobicContact CG2-CD2 4.46Å; I216-F220 PolarHBondContact O-N 3.38Å; I216-V224 HydrophobicContact CG2-CB 4.34Å; I216-V224 HydrophobicContact CG2-CG1 3.66Å; I216-L228 HydrophobicContact CB-CD1 4.44Å; I216-L228 HydrophobicContact CD1-CD1 3.95Å; I216-L228 HydrophobicContact CG2-CD1 4.06Å; I216-Y245 HydrophobicContact CD1-CD2 4.19Å; I216-F291 HydrophobicContact CD1-CE1 4.1Å; I216-F291 HydrophobicContact CD1-CZ 4.18Å; I216-F291 HydrophobicContact CG1-CE1 4.45Å; I216-F291 HydrophobicContact CG1-CZ 4.07Å; I216-F291 HydrophobicContact CG2-CE1 4.06Å; I216-F291 HydrophobicContact CG2-CE2 4.38Å; I216-F291 HydrophobicContact CG2-CZ 3.8Å
217	R	92.6	Very high	90	Very high	109 Å²	109	56.6 Å²	56.6	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-39.2	176.2	-168.1	-176.7	-58.6	132.6	11.1	112.7	V213 D214 N215 G221 S225	V213-R217 WeakPolarHBondContact O-CB 3.48Å; V213-R217 PolarHBondContact O-N 2.88Å; D214-R217 WeakPolarHBondContact O-CB 3.5Å; D214-R217 PolarHBondContact O-N 3.05Å; D214-R217 IonicContact OD1-CZ 2.68Å; D214-R217 IonicContact OD1-NH1 2.73Å; D214-R217 PolarHBondContact OD1-NH1 2.93Å; D214-R217 IonicContact OD1-NH2 3.79Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 3.19Å; R217-G221 CarbonylContact O-C 3.58Å; R217-G221 WeakPolarHBondContact O-CA 3.43Å; R217-G221 PolarHBondContact O-N 2.88Å; R217-G221 VanDerWaalsContact O-N 3.11Å; R217-S225 PolarHBondContact NE-OG 3.09Å; R217-S225 PolarHBondContact NH2-OG 3.03Å
218	S	90.5	Very high	90.2	Very high	77 Å²	77	53.2 Å²	53.2	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-76.7	-22.5	-178.3	-167.5	0	0	0	0	113.8	D214 N215 I216	D214-S218 WeakPolarHBondContact O-CB 3.34Å; D214-S218 PolarHBondContact O-N 3.05Å; N215-S218 PolarHBondContact O-N 3.16Å; N215-S218 VanDerWaalsContact O-N 3.17Å; I216-S218 VanDerWaalsContact C-N 3.31Å; I216-S218 PolarHBondContact O-N 2.93Å
219	I	91.1	Very high	90.7	Very high	42 Å²	42	50.3 Å²	50.3	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-106	-43.3	-172.7	-65.8	160.3	0	0	0	111.5	S184 I185 T206 N215 I216	S184-I219 WeakPolarHBondContact OG-CD1 3.1Å; I185-I219 HydrophobicContact CD1-CB 4.49Å; I185-I219 HydrophobicContact CD1-CD1 3.99Å; I185-I219 HydrophobicContact CD1-CG2 4.49Å; I185-I219 HydrophobicContact CG1-CD1 3.78Å; T206-I219 HydrophobicContact CG2-CD1 4.29Å; N215-I219 WeakPolarHBondContact O-CB 3.3Å; N215-I219 WeakPolarHBondContact O-CD1 3.25Å; N215-I219 WeakPolarHBondContact O-CG1 3.4Å; N215-I219 PolarHBondContact O-N 3.2Å; I216-I219 PolarHBondContact O-N 3.43Å
220	F	90.4	Very high	91.1	Very high	63 Å²	63	48.9 Å²	48.9	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-107.8	0.9	180	-62.7	-73.8	0	0	0	113.5	I185 I216 V224 I257 L259 F291	I185-F220 HydrophobicContact CD1-CD2 3.85Å; I185-F220 HydrophobicContact CD1-CE2 3.48Å; I185-F220 VanDerWaalsContact CD1-CE2 3.48Å; I216-F220 HydrophobicContact CG2-CD2 4.46Å; I216-F220 PolarHBondContact O-N 3.38Å; F220-V224 HydrophobicContact CB-CB 4.28Å; F220-V224 HydrophobicContact CB-CG2 3.83Å; F220-I257 HydrophobicContact CD1-CD1 4.04Å; F220-I257 HydrophobicContact CD1-CG2 4.2Å; F220-I257 HydrophobicContact CE1-CD1 4.2Å; F220-I257 HydrophobicContact CE1-CG2 3.61Å; F220-I257 HydrophobicContact CE2-CG2 4.39Å; F220-I257 HydrophobicContact CZ-CG2 3.71Å; F220-L259 HydrophobicContact CE2-CD1 4.28Å; F220-L259 HydrophobicContact CE2-CD2 4.32Å; F220-L259 HydrophobicContact CZ-CD1 4.37Å; F220-F291 HydrophobicContact CB-CE2 4.5Å; F220-F291 HydrophobicContact CD1-CE2 4.5Å; F220-F291 HydrophobicContact CD2-CD2 4.41Å; F220-F291 AromaticContact CD2-CE2 3.49Å; F220-F291 HydrophobicContact CD2-CE2 3.49Å; F220-F291 VanDerWaalsContact CD2-CE2 3.49Å; F220-F291 HydrophobicContact CD2-CZ 4.14Å; F220-F291 AromaticContact CE2-CE2 3.69Å; F220-F291 HydrophobicContact CE2-CE2 3.69Å; F220-F291 HydrophobicContact CE2-CZ 4.34Å; F220-F291 HydrophobicContact CG-CD2 4.43Å; F220-F291 AromaticContact CG-CE2 3.93Å; F220-F291 HydrophobicContact CG-CE2 3.93Å; F220-F291 HydrophobicContact CZ-CE2 4.29Å
221	G	89.8	Confident	91.2	Very high	29 Å²	29	48.3 Å²	48.3	30%	0.299	26%	0.26	S	S	.	.			trans	88	169.2	171.6	0	0	0	0	0	115.1	R217 A223 V224 S225	R217-G221 CarbonylContact O-C 3.58Å; R217-G221 WeakPolarHBondContact O-CA 3.43Å; R217-G221 PolarHBondContact O-N 2.88Å; R217-G221 VanDerWaalsContact O-N 3.11Å; G221-A223 PolarHBondContact O-N 2.81Å; G221-V224 PolarHBondContact O-N 2.84Å; G221-S225 PolarHBondContact O-N 3.12Å
222	S	89.6	Confident	91.2	Very high	65 Å²	65	46.5 Å²	46.5	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-20.4	-178.3	71.1	0	0	0	0	114	R226	S222-R226 WeakPolarHBondContact O-CG 3.09Å; S222-R226 PolarHBondContact O-N 2.95Å; S222-R226 PolarHBondContact O-NH1 3.08Å; S222-R226 VanDerWaalsContact O-NH1 3.12Å; S222-R226 PolarHBondContact OG-NH1 3.31Å; S222-R226 VanDerWaalsContact OG-NH1 3.11Å
223	A	88.3	Confident	91.1	Very high	49 Å²	49	46.7 Å²	46.7	41%	0.405	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-37.7	176.2	0	0	0	0	0	112.7	G221	G221-A223 PolarHBondContact O-N 2.81Å
224	V	90.6	Very high	91	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-52.5	172.3	179.2	0	0	0	0	109.9	I216 F220 G221 R226 E227 L228 Y251 F291	I216-V224 HydrophobicContact CG2-CB 4.34Å; I216-V224 HydrophobicContact CG2-CG1 3.66Å; F220-V224 HydrophobicContact CB-CB 4.28Å; F220-V224 HydrophobicContact CB-CG2 3.83Å; G221-V224 PolarHBondContact O-N 2.84Å; V224-R226 PolarHBondContact O-N 3.48Å; V224-E227 PolarHBondContact O-N 2.89Å; V224-L228 HydrophobicContact CG1-CD2 3.82Å; V224-L228 HydrophobicContact CG1-CG 4.39Å; V224-Y251 HydrophobicContact CG2-CE1 4.3Å; V224-Y251 HydrophobicContact CG2-CE2 3.66Å; V224-Y251 VanDerWaalsContact CG2-OH 3.3Å; V224-Y251 WeakPolarHBondContact CG2-OH 3.24Å; V224-F291 HydrophobicContact CG1-CB 4.05Å; V224-F291 HydrophobicContact CG1-CD1 3.67Å; V224-F291 HydrophobicContact CG1-CD2 3.9Å; V224-F291 HydrophobicContact CG1-CE1 4.11Å; V224-F291 HydrophobicContact CG1-CE2 4.32Å; V224-F291 HydrophobicContact CG1-CG 3.57Å; V224-F291 HydrophobicContact CG1-CZ 4.42Å
225	S	90.8	Very high	90.7	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-20.2	-170.3	167	0	0	0	0	115.8	R217 G221	R217-S225 PolarHBondContact NE-OG 3.09Å; R217-S225 PolarHBondContact NH2-OG 3.03Å; G221-S225 PolarHBondContact O-N 3.12Å
226	R	88.8	Confident	90.3	Very high	160 Å²	160	57.5 Å²	57.5	60%	0.604	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-27.6	175.2	-73.4	-172.2	-57	-87.7	0.4	113.5	S222 V224	S222-R226 WeakPolarHBondContact O-CG 3.09Å; S222-R226 PolarHBondContact O-N 2.95Å; S222-R226 PolarHBondContact O-NH1 3.08Å; S222-R226 VanDerWaalsContact O-NH1 3.12Å; S222-R226 PolarHBondContact OG-NH1 3.31Å; S222-R226 VanDerWaalsContact OG-NH1 3.11Å; V224-R226 PolarHBondContact O-N 3.48Å
227	E	89.8	Confident	89.9	Confident	46 Å²	46	63.4 Å²	63.4	22%	0.215	34%	0.339	C	S	.	.	S	Bend	trans	-104.2	16	-169.9	-52.9	-53.7	133.4	0	0	112.1	V224 S247 N248 N250	V224-E227 PolarHBondContact O-N 2.89Å; E227-S247 CarbonylContact O-C 3.6Å; E227-S247 WeakPolarHBondContact O-CA 3.5Å; E227-N248 PolarHBondContact O-N 2.87Å; E227-N248 PolarHBondContact OE2-ND2 3.47Å; E227-N248 PolarHBondContact OE2-OD1 3.35Å; E227-N250 PolarHBondContact OE2-ND2 3.2Å
228	L	92.6	Very high	89.3	Confident	33 Å²	33	59.4 Å²	59.4	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.3	179.5	-66.2	180	0	0	0	112.4	V213 I216 V224 Y245 I246 F291	V213-L228 HydrophobicContact CG1-CD1 4.35Å; I216-L228 HydrophobicContact CB-CD1 4.44Å; I216-L228 HydrophobicContact CD1-CD1 3.95Å; I216-L228 HydrophobicContact CG2-CD1 4.06Å; V224-L228 HydrophobicContact CG1-CD2 3.82Å; V224-L228 HydrophobicContact CG1-CG 4.39Å; L228-Y245 HydrophobicContact CD1-CG 4.45Å; L228-I246 CarbonylContact C-O 3.58Å; L228-I246 WeakPolarHBondContact CA-O 3.46Å; L228-F291 HydrophobicContact CD2-CD1 3.68Å; L228-F291 HydrophobicContact CD2-CE1 3.94Å
229	I	91.9	Very high	89.1	Confident	21 Å²	21	58 Å²	58	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.1	168.9	-58.5	163.7	0	0	0	107.8	Y245 I246 N248 K333 L334 S337	I229-Y245 WeakPolarHBondContact O-CA 3.38Å; I229-I246 HydrophobicContact CB-CG1 4.02Å; I229-I246 PolarHBondContact N-O 3.14Å; I229-I246 PolarHBondContact O-N 3.46Å; I229-N248 HydrophobicContact CD1-CB 3.64Å; I229-N248 HydrophobicContact CG1-CB 4.09Å; I229-K333 HydrophobicContact CG2-CB 4.46Å; I229-K333 HydrophobicContact CG2-CD 4.25Å; I229-L334 HydrophobicContact CD1-CD2 4.24Å; I229-S337 VanDerWaalsContact CD1-OG 3.28Å; I229-S337 WeakPolarHBondContact CD1-OG 3.38Å
230	E	93.2	Very high	89.1	Confident	120 Å²	120	56.3 Å²	56.3	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.2	172.9	-171.5	164.6	-130.5	0	0	111.2	Y245 K333	E230-Y245 HydrophobicContact CB-CD1 4.08Å; E230-Y245 HydrophobicContact CB-CE1 3.71Å; E230-Y245 HydrophobicContact CG-CD1 4.39Å; E230-Y245 HydrophobicContact CG-CE1 3.75Å; E230-Y245 PolarHBondContact OE1-OH 3.2Å; E230-K333 PolarHBondContact O-NZ 3.25Å
231	V	92.1	Very high	89.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.7	175.1	-64.9	0	0	0	0	110.5	M242 N243 G244 I246 L294 K333	V231-M242 HydrophobicContact CB-CE 4.05Å; V231-M242 HydrophobicContact CG2-CE 4.08Å; V231-N243 CarbonylContact O-C 3.48Å; V231-G244 PolarHBondContact N-O 3.43Å; V231-G244 PolarHBondContact O-N 3.23Å; V231-I246 HydrophobicContact CG1-CD1 3.56Å; V231-I246 HydrophobicContact CG1-CG1 3.8Å; V231-I246 HydrophobicContact CG1-CG2 4.09Å; V231-I246 HydrophobicContact CG2-CG2 3.99Å; V231-L294 HydrophobicContact CG2-CD2 3.64Å; V231-K333 HydrophobicContact CG1-CB 4.41Å; V231-K333 HydrophobicContact CG1-CD 4.47Å; V231-K333 HydrophobicContact CG1-CG 4.13Å
232	G	91.6	Very high	89.4	Confident	36 Å²	36	54.8 Å²	54.8	37%	0.371	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	111.6	-169.6	0	0	0	0	0	110.5	M242 H329	G232-M242 CarbonylContact C-O 3.47Å; G232-M242 VanDerWaalsContact CA-O 3.27Å; G232-M242 WeakPolarHBondContact CA-O 3.45Å; G232-H329 PolarHBondContact N-NE2 3.48Å; G232-H329 PolarHBondContact O-CE1 2.95Å; G232-H329 PolarHBondContact O-NE2 2.87Å
233	C	89.3	Confident	89.7	Confident	24 Å²	24	54.8 Å²	54.8	16%	0.162	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.5	171.9	73.1	0	0	0	0	111.4	K241 M242	C233-K241 CarbonylContact O-C 3.34Å; C233-K241 WeakPolarHBondContact O-CA 3.5Å; C233-M242 PolarHBondContact N-O 3.36Å; C233-M242 PolarHBondContact O-N 2.92Å
234	E	90.2	Very high	89.9	Confident	119 Å²	119	52.8 Å²	52.8	56%	0.556	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	125.1	176.2	-178.9	-174.6	131.4	0	0	106.4	K236 K241	E234-K236 WeakPolarHBondContact OE1-CE 3.46Å; E234-K236 IonicContact OE1-NZ 3.68Å; E234-K241 HydrophobicContact CG-CB 4.47Å
235	D	86.6	Confident	90.1	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.15	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.6	174	-157.2	-49.7	0	0	0	110.2	T237 A239 F240 R325	D235-T237 VanDerWaalsContact C-N 3.27Å; D235-T237 PolarHBondContact O-N 2.66Å; D235-T237 WeakPolarHBondContact OD1-CB 3.38Å; D235-T237 PolarHBondContact OD1-N 2.88Å; D235-T237 PolarHBondContact OD1-OG1 3.15Å; D235-A239 WeakPolarHBondContact O-CA 3.42Å; D235-A239 PolarHBondContact O-N 3.17Å; D235-F240 HydrophobicContact CB-CD1 3.9Å; D235-F240 HydrophobicContact CB-CE1 3.59Å; D235-F240 HydrophobicContact CB-CZ 4.42Å; D235-F240 PolarHBondContact N-O 2.87Å; D235-F240 PolarHBondContact O-N 2.93Å; D235-F240 VanDerWaalsContact O-N 3.15Å; D235-R325 IonicContact OD2-NE 3.69Å
236	K	84.3	Confident	90.3	Very high	170 Å²	170	54.2 Å²	54.2	74%	0.739	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.5	-177.1	-63.3	-176.9	-180	-179.9	0	113.1	E234	E234-K236 WeakPolarHBondContact OE1-CE 3.46Å; E234-K236 IonicContact OE1-NZ 3.68Å
237	T	85	Confident	90.4	Very high	124 Å²	124	46.6 Å²	46.6	76%	0.761	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-42.4	177.9	67.2	0	0	0	0	111.1	D235	D235-T237 VanDerWaalsContact C-N 3.27Å; D235-T237 PolarHBondContact O-N 2.66Å; D235-T237 WeakPolarHBondContact OD1-CB 3.38Å; D235-T237 PolarHBondContact OD1-N 2.88Å; D235-T237 PolarHBondContact OD1-OG1 3.15Å
238	L	79.9	Confident	90.4	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-2	176.3	-68.4	169.3	0	0	0	113.2	F240 H318 I322	L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 HydrophobicContact CB-CD1 3.76Å; L238-F240 HydrophobicContact CB-CE1 4.25Å; L238-F240 HydrophobicContact CD1-CD1 4.42Å; L238-F240 HydrophobicContact CD1-CE1 4.12Å; L238-F240 PolarHBondContact O-N 3.04Å; L238-H318 HydrophobicContact CD2-CB 3.74Å; L238-I322 HydrophobicContact CB-CG1 4.28Å; L238-I322 HydrophobicContact CD1-CG1 4.06Å
239	A	86.4	Confident	90.1	Very high	48 Å²	48	45.3 Å²	45.3	40%	0.397	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	43	-179.3	0	0	0	0	0	114.1	D235 S299	D235-A239 WeakPolarHBondContact O-CA 3.42Å; D235-A239 PolarHBondContact O-N 3.17Å; A239-S299 PolarHBondContact O-N 2.93Å
240	F	90.5	Very high	89.7	Confident	5 Å²	5	50 Å²	50	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.6	176.4	92.9	-83.5	0	0	0	113.6	D235 L238 M242 L296 E297 I298 I322 R325 V326	D235-F240 HydrophobicContact CB-CD1 3.9Å; D235-F240 HydrophobicContact CB-CE1 3.59Å; D235-F240 HydrophobicContact CB-CZ 4.42Å; D235-F240 PolarHBondContact N-O 2.87Å; D235-F240 PolarHBondContact O-N 2.93Å; D235-F240 VanDerWaalsContact O-N 3.15Å; L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 HydrophobicContact CB-CD1 3.76Å; L238-F240 HydrophobicContact CB-CE1 4.25Å; L238-F240 HydrophobicContact CD1-CD1 4.42Å; L238-F240 HydrophobicContact CD1-CE1 4.12Å; L238-F240 PolarHBondContact O-N 3.04Å; F240-M242 HydrophobicContact CE2-CB 4.2Å; F240-L296 HydrophobicContact CD2-CD2 4.46Å; F240-E297 CarbonylContact C-O 3.57Å; F240-E297 WeakPolarHBondContact CA-O 3.48Å; F240-I298 HydrophobicContact CB-CG1 4.09Å; F240-I322 HydrophobicContact CB-CD1 4.48Å; F240-I322 HydrophobicContact CD1-CD1 4.4Å; F240-I322 HydrophobicContact CD1-CG1 3.92Å; F240-I322 HydrophobicContact CD1-CG2 4.4Å; F240-I322 HydrophobicContact CD2-CG2 4.2Å; F240-I322 HydrophobicContact CE1-CG1 4.19Å; F240-I322 HydrophobicContact CE1-CG2 4.4Å; F240-I322 HydrophobicContact CE2-CG2 4.21Å; F240-I322 HydrophobicContact CG-CG1 4.39Å; F240-I322 HydrophobicContact CG-CG2 4.3Å; F240-I322 HydrophobicContact CZ-CG2 4.31Å; F240-R325 HydrophobicContact CE1-CB 4.3Å; F240-R325 HydrophobicContact CE1-CG 4.31Å; F240-R325 HydrophobicContact CZ-CB 4.09Å; F240-R325 HydrophobicContact CZ-CG 4.17Å; F240-V326 HydrophobicContact CE2-CG2 4.12Å; F240-V326 HydrophobicContact CZ-CG2 4.46Å
241	K	92.8	Very high	89.4	Confident	61 Å²	61	45.8 Å²	45.8	27%	0.265	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.2	174.2	166.8	166	161.6	-83.4	0	109.3	C233 E234 N243 E297	C233-K241 CarbonylContact O-C 3.34Å; C233-K241 WeakPolarHBondContact O-CA 3.5Å; E234-K241 HydrophobicContact CG-CB 4.47Å; K241-N243 PolarHBondContact NZ-ND2 3.26Å; K241-E297 HydrophobicContact CB-CB 4.31Å; K241-E297 PolarHBondContact N-O 3.05Å; K241-E297 IonicContact NZ-OE1 2.71Å; K241-E297 PolarHBondContact NZ-OE1 3.09Å; K241-E297 IonicContact NZ-OE2 3.05Å; K241-E297 PolarHBondContact NZ-OE2 2.89Å; K241-E297 PolarHBondContact O-N 3.27Å
242	M	93.8	Very high	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	175.1	179.6	-176	70.4	0	0	109.5	V231 G232 C233 F240 L294 S295 L296 V326 H329	V231-M242 HydrophobicContact CB-CE 4.05Å; V231-M242 HydrophobicContact CG2-CE 4.08Å; G232-M242 CarbonylContact C-O 3.47Å; G232-M242 VanDerWaalsContact CA-O 3.27Å; G232-M242 WeakPolarHBondContact CA-O 3.45Å; C233-M242 PolarHBondContact N-O 3.36Å; C233-M242 PolarHBondContact O-N 2.92Å; F240-M242 HydrophobicContact CE2-CB 4.2Å; M242-L294 HydrophobicContact CG-CD2 4.34Å; M242-L294 HydrophobicContact SD-CD1 4.18Å; M242-L294 HydrophobicContact SD-CD2 3.8Å; M242-L294 HydrophobicContact SD-CG 4.5Å; M242-S295 WeakPolarHBondContact CA-O 3.29Å; M242-L296 HydrophobicContact CB-CD2 3.65Å; M242-L296 HydrophobicContact CG-CD2 3.71Å; M242-L296 HydrophobicContact SD-CD2 4.34Å; M242-V326 HydrophobicContact CE-CG1 4.43Å; M242-V326 HydrophobicContact SD-CB 4.23Å; M242-V326 HydrophobicContact SD-CG1 3.61Å; M242-V326 HydrophobicContact SD-CG2 3.75Å; M242-H329 HydrophobicContact CE-CB 4.47Å
243	N	94.6	Very high	89	Confident	65 Å²	65	48.1 Å²	48.1	35%	0.348	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.3	165.7	-67.9	-45.2	0	0	0	109.1	V231 K241 S295 E297	V231-N243 CarbonylContact O-C 3.48Å; K241-N243 PolarHBondContact NZ-ND2 3.26Å; N243-S295 PolarHBondContact N-O 3.41Å; N243-S295 PolarHBondContact O-N 3.14Å; N243-E297 PolarHBondContact ND2-OE1 2.83Å
244	G	93.8	Very high	88.9	Confident	6 Å²	6	56 Å²	56	6%	0.062	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-179.3	177.7	0	0	0	0	0	116.2	V231 Y293	V231-G244 PolarHBondContact N-O 3.43Å; V231-G244 PolarHBondContact O-N 3.23Å; G244-Y293 CarbonylContact C-O 3.56Å; G244-Y293 WeakPolarHBondContact CA-O 3.44Å
245	Y	94.7	Very high	88.8	Confident	45 Å²	45	56.8 Å²	56.8	18%	0.176	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.3	174.2	-64.8	-73.8	0	0	0	109.6	T212 V213 I216 L228 I229 E230 Y293	T212-Y245 HydrophobicContact CG2-CD2 3.79Å; T212-Y245 HydrophobicContact CG2-CE2 3.73Å; V213-Y245 HydrophobicContact CG2-CD1 4.27Å; V213-Y245 HydrophobicContact CG2-CD2 4.42Å; V213-Y245 HydrophobicContact CG2-CE1 3.88Å; V213-Y245 HydrophobicContact CG2-CE2 4.03Å; I216-Y245 HydrophobicContact CD1-CD2 4.19Å; L228-Y245 HydrophobicContact CD1-CG 4.45Å; I229-Y245 WeakPolarHBondContact O-CA 3.38Å; E230-Y245 HydrophobicContact CB-CD1 4.08Å; E230-Y245 HydrophobicContact CB-CE1 3.71Å; E230-Y245 HydrophobicContact CG-CD1 4.39Å; E230-Y245 HydrophobicContact CG-CE1 3.75Å; E230-Y245 PolarHBondContact OE1-OH 3.2Å; Y245-Y293 AromaticContact CD2-CD1 3.97Å; Y245-Y293 HydrophobicContact CD2-CD1 3.97Å; Y245-Y293 HydrophobicContact CD2-CE1 4.22Å; Y245-Y293 PolarHBondContact N-O 3.26Å; Y245-Y293 PolarHBondContact O-N 3.25Å
246	I	94	Very high	88.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152	177.2	69.5	175.6	0	0	0	109.4	L228 I229 V231 Y280 L292 L294 V330 L334	L228-I246 CarbonylContact C-O 3.58Å; L228-I246 WeakPolarHBondContact CA-O 3.46Å; I229-I246 HydrophobicContact CB-CG1 4.02Å; I229-I246 PolarHBondContact N-O 3.14Å; I229-I246 PolarHBondContact O-N 3.46Å; V231-I246 HydrophobicContact CG1-CD1 3.56Å; V231-I246 HydrophobicContact CG1-CG1 3.8Å; V231-I246 HydrophobicContact CG1-CG2 4.09Å; V231-I246 HydrophobicContact CG2-CG2 3.99Å; I246-Y280 WeakPolarHBondContact CB-OH 3.39Å; I246-Y280 WeakPolarHBondContact CD1-OH 3.48Å; I246-Y280 WeakPolarHBondContact CG1-OH 3.43Å; I246-L292 HydrophobicContact CB-CD2 3.91Å; I246-L292 HydrophobicContact CG2-CD2 3.76Å; I246-L294 HydrophobicContact CG2-CD2 4.12Å; I246-V330 HydrophobicContact CD1-CG1 3.94Å; I246-V330 HydrophobicContact CD1-CG2 4.48Å; I246-L334 HydrophobicContact CD1-CD2 4.47Å; I246-L334 HydrophobicContact CD1-CG 4.41Å
247	S	92.6	Very high	89.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.6	172.8	64.7	0	0	0	0	112.1	E227 Y280 P290 F291	E227-S247 CarbonylContact O-C 3.6Å; E227-S247 WeakPolarHBondContact O-CA 3.5Å; S247-Y280 VanDerWaalsContact O-CE1 3.29Å; S247-Y280 WeakPolarHBondContact O-CE1 3.49Å; S247-Y280 PolarHBondContact O-OH 2.74Å; S247-P290 WeakPolarHBondContact OG-CA 3.47Å; S247-P290 VanDerWaalsContact OG-CB 3.31Å; S247-P290 WeakPolarHBondContact OG-CB 3.48Å; S247-F291 PolarHBondContact N-O 3.33Å; S247-F291 PolarHBondContact OG-N 3Å; S247-F291 PolarHBondContact OG-O 3.24Å
248	N	89.1	Confident	89.6	Confident	25 Å²	25	44.5 Å²	44.5	13%	0.134	23%	0.23	C	C	.	.			trans	-68.4	-179.8	168.6	72	25.6	0	0	0	111.7	E227 I229 N250 Y251	E227-N248 PolarHBondContact O-N 2.87Å; E227-N248 PolarHBondContact OE2-ND2 3.47Å; E227-N248 PolarHBondContact OE2-OD1 3.35Å; I229-N248 HydrophobicContact CD1-CB 3.64Å; I229-N248 HydrophobicContact CG1-CB 4.09Å; N248-N250 VanDerWaalsContact C-N 3.27Å; N248-N250 PolarHBondContact ND2-ND2 3.3Å; N248-N250 PolarHBondContact O-N 3.15Å; N248-N250 WeakPolarHBondContact OD1-CA 3.36Å; N248-N250 WeakPolarHBondContact OD1-CB 3.46Å; N248-N250 PolarHBondContact OD1-N 3.19Å; N248-Y251 PolarHBondContact OD1-N 3.05Å
249	A	85.6	Confident	90.3	Very high	27 Å²	27	43.3 Å²	43.3	22%	0.223	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7	179.7	0	0	0	0	0	115.2
250	N	84.7	Confident	90.6	Very high	119 Å²	119	41.1 Å²	41.1	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-32.3	176.7	-50.3	-28.4	0	0	0	111.5	E227 N248	E227-N250 PolarHBondContact OE2-ND2 3.2Å; N248-N250 VanDerWaalsContact C-N 3.27Å; N248-N250 PolarHBondContact ND2-ND2 3.3Å; N248-N250 PolarHBondContact O-N 3.15Å; N248-N250 WeakPolarHBondContact OD1-CA 3.36Å; N248-N250 WeakPolarHBondContact OD1-CB 3.46Å; N248-N250 PolarHBondContact OD1-N 3.19Å
251	Y	87.1	Confident	90.8	Very high	32 Å²	32	40.9 Å²	40.9	13%	0.125	21%	0.205	C	C	.	.			trans	-89.2	131.3	-179.3	178.8	-89.5	0	0	0	111.3	V224 N248 V253 F291	V224-Y251 HydrophobicContact CG2-CE1 4.3Å; V224-Y251 HydrophobicContact CG2-CE2 3.66Å; V224-Y251 VanDerWaalsContact CG2-OH 3.3Å; V224-Y251 WeakPolarHBondContact CG2-OH 3.24Å; N248-Y251 PolarHBondContact OD1-N 3.05Å; Y251-V253 HydrophobicContact CE1-CG1 4.08Å; Y251-V253 HydrophobicContact CE1-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG1 4.4Å; Y251-V253 WeakPolarHBondContact OH-CG1 2.97Å; Y251-F291 HydrophobicContact CD1-CB 4.25Å; Y251-F291 HydrophobicContact CE1-CB 3.79Å
252	S	86.3	Confident	90.7	Very high	49 Å²	49	38.2 Å²	38.2	34%	0.343	19%	0.194	S	C	.	.			trans	-150.3	143.1	179.5	60.2	0	0	0	0	111.7
253	V	89	Confident	90.4	Very high	38 Å²	38	40.6 Å²	40.6	23%	0.23	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-140	156	179.4	-82.5	0	0	0	0	113	Y251 K255 I257 T288 H289	Y251-V253 HydrophobicContact CE1-CG1 4.08Å; Y251-V253 HydrophobicContact CE1-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG1 4.4Å; Y251-V253 WeakPolarHBondContact OH-CG1 2.97Å; V253-K255 VanDerWaalsContact C-N 3.28Å; V253-K255 VanDerWaalsContact CG2-O 3.3Å; V253-K255 WeakPolarHBondContact CG2-O 3.32Å; V253-K255 PolarHBondContact O-N 3.21Å; V253-I257 HydrophobicContact CG2-CD1 4.44Å; V253-T288 CarbonylContact O-C 3.5Å; V253-T288 WeakPolarHBondContact O-CA 3.23Å; V253-H289 WeakPolarHBondContact CG2-O 3.48Å; V253-H289 PolarHBondContact N-O 3.35Å; V253-H289 PolarHBondContact O-N 2.97Å
254	K	86.9	Confident	90.1	Very high	189 Å²	189	41.3 Å²	41.3	82%	0.822	21%	0.207	S	C	*	.	S	Bend	trans	-71.1	-12.8	-178.8	-63.9	-173.9	178.6	-176.9	0	115.3
255	K	87.5	Confident	89.9	Confident	135 Å²	135	41.6 Å²	41.6	59%	0.587	21%	0.206	S	C	*	.	S	Bend	trans	-130.8	128.2	174.9	-176.7	-167.3	174.4	-168.4	0	107.5	E178 V253 I257	E178-K255 IonicContact OE1-NZ 3.52Å; E178-K255 IonicContact OE2-NZ 3.38Å; V253-K255 VanDerWaalsContact C-N 3.28Å; V253-K255 VanDerWaalsContact CG2-O 3.3Å; V253-K255 WeakPolarHBondContact CG2-O 3.32Å; V253-K255 PolarHBondContact O-N 3.21Å; K255-I257 PolarHBondContact O-N 3.16Å
256	C	87.1	Confident	89.7	Confident	10 Å²	10	40.4 Å²	40.4	7%	0.068	20%	0.203	C	C	.	.			trans	-58.3	128.2	171.4	-172.3	0	0	0	0	110.5	E277 H289	C256-E277 WeakPolarHBondContact CB-OE1 3.44Å; C256-E277 PolarHBondContact SG-OE1 3.45Å; C256-E277 VanDerWaalsContact SG-OE1 3.36Å; C256-H289 VanDerWaalsContact CA-CB 3.44Å; C256-H289 HydrophobicContact CB-CB 3.67Å
257	I	91.9	Very high	89.5	Confident	36 Å²	36	40.8 Å²	40.8	19%	0.185	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	88.9	174.4	-57.1	175.5	0	0	0	106.8	F220 V253 K255 L259 P290 F291 L292	F220-I257 HydrophobicContact CD1-CD1 4.04Å; F220-I257 HydrophobicContact CD1-CG2 4.2Å; F220-I257 HydrophobicContact CE1-CD1 4.2Å; F220-I257 HydrophobicContact CE1-CG2 3.61Å; F220-I257 HydrophobicContact CE2-CG2 4.39Å; F220-I257 HydrophobicContact CZ-CG2 3.71Å; V253-I257 HydrophobicContact CG2-CD1 4.44Å; K255-I257 PolarHBondContact O-N 3.16Å; I257-L259 HydrophobicContact CG2-CD1 3.76Å; I257-P290 PolarHBondContact N-O 3.06Å; I257-F291 HydrophobicContact CB-CD2 3.85Å; I257-F291 HydrophobicContact CD1-CD2 4.45Å; I257-F291 HydrophobicContact CG2-CD2 3.52Å; I257-F291 HydrophobicContact CG2-CE2 3.7Å; I257-L292 PolarHBondContact O-N 3.08Å
258	F	93.4	Very high	89.4	Confident	18 Å²	18	46.4 Å²	46.4	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.7	177	-170.1	-149.7	0	0	0	110.9	R182 L260 L272 R273 I276 L292 L294	R182-F258 PolarHBondContact NH2-O 3.23Å; F258-L260 HydrophobicContact CE1-CB 4.02Å; F258-L260 HydrophobicContact CE1-CD2 4.25Å; F258-L260 HydrophobicContact CE2-CB 4.04Å; F258-L260 HydrophobicContact CZ-CB 3.72Å; F258-L260 HydrophobicContact CZ-CD1 4.27Å; F258-L260 HydrophobicContact CZ-CD2 4.09Å; F258-L260 HydrophobicContact CZ-CG 4.24Å; F258-L272 HydrophobicContact CZ-CB 4.4Å; F258-L272 HydrophobicContact CZ-CD2 4.06Å; F258-L272 HydrophobicContact CZ-CG 3.96Å; F258-R273 HydrophobicContact CD1-CB 3.76Å; F258-R273 HydrophobicContact CD1-CG 3.99Å; F258-R273 HydrophobicContact CE1-CB 3.76Å; F258-R273 HydrophobicContact CE1-CG 4.46Å; F258-I276 HydrophobicContact CE2-CD1 4.3Å; F258-I276 HydrophobicContact CZ-CD1 4.41Å; F258-L292 CarbonylContact C-O 3.58Å; F258-L292 WeakPolarHBondContact CA-O 3.25Å; F258-L292 HydrophobicContact CD2-CB 3.69Å; F258-L292 HydrophobicContact CD2-CD1 4.16Å; F258-L292 HydrophobicContact CE2-CB 4.35Å; F258-L294 HydrophobicContact CE2-CD1 4.25Å
259	L	94.8	Very high	89.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.7	171.9	-61.6	83.3	0	0	0	106.8	R182 I185 F220 I257 F261 F291 L292 Y293 L294	R182-L259 HydrophobicContact CB-CD2 4.31Å; R182-L259 HydrophobicContact CG-CD2 3.7Å; R182-L259 HydrophobicContact CG-CG 3.83Å; I185-L259 HydrophobicContact CB-CD2 4.43Å; I185-L259 HydrophobicContact CD1-CD2 3.86Å; I185-L259 HydrophobicContact CG2-CD2 4.45Å; F220-L259 HydrophobicContact CE2-CD1 4.28Å; F220-L259 HydrophobicContact CE2-CD2 4.32Å; F220-L259 HydrophobicContact CZ-CD1 4.37Å; I257-L259 HydrophobicContact CG2-CD1 3.76Å; L259-F261 HydrophobicContact CB-CE2 4.4Å; L259-F291 HydrophobicContact CD1-CE2 3.73Å; L259-F291 HydrophobicContact CD1-CZ 3.92Å; L259-L292 WeakPolarHBondContact CD1-O 3.41Å; L259-L292 PolarHBondContact N-O 3.32Å; L259-Y293 HydrophobicContact CB-CD2 3.96Å; L259-Y293 HydrophobicContact CD2-CD2 4.34Å; L259-Y293 WeakPolarHBondContact O-CA 3.37Å; L259-L294 PolarHBondContact O-N 2.99Å
260	L	93.8	Very high	89.6	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.5	176.1	177.5	63	0	0	0	109.7	F258 I262 V267 L272 L294 L296	F258-L260 HydrophobicContact CE1-CB 4.02Å; F258-L260 HydrophobicContact CE1-CD2 4.25Å; F258-L260 HydrophobicContact CE2-CB 4.04Å; F258-L260 HydrophobicContact CZ-CB 3.72Å; F258-L260 HydrophobicContact CZ-CD1 4.27Å; F258-L260 HydrophobicContact CZ-CD2 4.09Å; F258-L260 HydrophobicContact CZ-CG 4.24Å; L260-I262 HydrophobicContact CD1-CG1 4.38Å; L260-I262 HydrophobicContact CD2-CD1 4.37Å; L260-I262 HydrophobicContact CG-CG1 4.24Å; L260-V267 PolarHBondContact O-N 3.31Å; L260-L272 HydrophobicContact CD1-CD2 3.68Å; L260-L272 HydrophobicContact CD2-CD2 4Å; L260-L272 HydrophobicContact CG-CD2 4.49Å; L260-L294 HydrophobicContact CD1-CB 4.25Å; L260-L296 HydrophobicContact CD1-CD1 4.1Å; L260-L296 HydrophobicContact CD1-CG 4.28Å
261	F	93.4	Very high	89.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133	171.5	-72.5	-93.6	0	0	0	109.6	R182 Y183 H186 L259 H264 R265 L266 Y293 L294 S295 L296	R182-F261 HydrophobicContact CB-CE2 4.44Å; R182-F261 HydrophobicContact CB-CZ 4.08Å; R182-F261 WeakPolarHBondContact O-CZ 3.36Å; Y183-F261 HydrophobicContact CD1-CE1 4.42Å; Y183-F261 HydrophobicContact CE1-CE1 4.47Å; H186-F261 HydrophobicContact CB-CD1 3.98Å; H186-F261 HydrophobicContact CB-CD2 3.92Å; H186-F261 HydrophobicContact CB-CE1 3.74Å; H186-F261 HydrophobicContact CB-CE2 3.69Å; H186-F261 HydrophobicContact CB-CG 4.07Å; H186-F261 HydrophobicContact CB-CZ 3.59Å; H186-F261 AromaticContact CG-CD1 3.59Å; H186-F261 AromaticContact CG-CE1 3.83Å; H186-F261 AromaticContact CG-CG 3.68Å; H186-F261 WeakPolarHBondContact ND1-CB 3.39Å; H186-F261 AromaticContact ND1-CD1 3.69Å; H186-F261 AromaticContact ND1-CD2 3.74Å; H186-F261 AromaticContact ND1-CG 3.33Å; H186-F261 VanDerWaalsContact ND1-CG 3.33Å; H186-F261 WeakPolarHBondContact ND1-CG 3.19Å; L259-F261 HydrophobicContact CB-CE2 4.4Å; F261-H264 WeakPolarHBondContact CD1-O 3.35Å; F261-R265 CarbonylContact C-O 3.59Å; F261-R265 WeakPolarHBondContact CA-O 3.33Å; F261-L266 HydrophobicContact CD1-CB 4.24Å; F261-L266 HydrophobicContact CE1-CB 3.72Å; F261-L266 HydrophobicContact CE1-CD1 4.39Å; F261-L266 HydrophobicContact CE2-CD1 4.19Å; F261-L266 HydrophobicContact CZ-CB 4.11Å; F261-L266 HydrophobicContact CZ-CD1 4.02Å; F261-Y293 HydrophobicContact CD2-CD2 4.4Å; F261-Y293 AromaticContact CD2-CE2 3.97Å; F261-Y293 HydrophobicContact CD2-CE2 3.97Å; F261-Y293 HydrophobicContact CE2-CE2 4.27Å; F261-L294 PolarHBondContact N-O 3.44Å; F261-S295 WeakPolarHBondContact O-CA 3.39Å; F261-L296 PolarHBondContact O-N 2.88Å
262	I	90.8	Very high	90	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.3	173.5	-52.1	-175.6	0	0	0	107.3	L260 H264 R265 V267 L296 I298 V303 V314 F316	L260-I262 HydrophobicContact CD1-CG1 4.38Å; L260-I262 HydrophobicContact CD2-CD1 4.37Å; L260-I262 HydrophobicContact CG-CG1 4.24Å; I262-H264 PolarHBondContact O-N 3.09Å; I262-R265 PolarHBondContact N-O 3.43Å; I262-R265 WeakPolarHBondContact O-CB 3.27Å; I262-R265 PolarHBondContact O-N 2.82Å; I262-V267 HydrophobicContact CB-CG2 4.19Å; I262-V267 HydrophobicContact CD1-CB 4.32Å; I262-V267 HydrophobicContact CD1-CG1 4.04Å; I262-V267 HydrophobicContact CD1-CG2 4.42Å; I262-V267 HydrophobicContact CG1-CB 4.26Å; I262-V267 HydrophobicContact CG1-CG2 4.22Å; I262-L296 WeakPolarHBondContact CA-O 3.42Å; I262-L296 HydrophobicContact CG1-CB 4.41Å; I262-L296 HydrophobicContact CG1-CD1 4.36Å; I262-I298 HydrophobicContact CG2-CD1 4Å; I262-I298 HydrophobicContact CG2-CG1 4.48Å; I262-V303 HydrophobicContact CG2-CG1 4.49Å; I262-V314 HydrophobicContact CG2-CG1 4.49Å; I262-F316 HydrophobicContact CD1-CD1 4.3Å; I262-F316 HydrophobicContact CD1-CE1 3.93Å
263	N	88.5	Confident	90.2	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	48.7	-172.8	-67.5	-6.4	0	0	0	111.8	R265 L296 I298	N263-R265 PolarHBondContact O-N 2.81Å; N263-L296 PolarHBondContact N-O 2.77Å; N263-I298 PolarHBondContact ND2-O 2.97Å; N263-I298 PolarHBondContact OD1-N 2.81Å; N263-I298 PolarHBondContact OD1-O 3.25Å; N263-I298 VanDerWaalsContact OD1-O 3.09Å
264	H	88.1	Confident	90.3	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.37	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-4.3	-175.8	-42.1	-57	0	0	0	117.4	Y97 H186 F261 I262	Y97-H264 HydrophobicContact CE1-CB 4.01Å; Y97-H264 WeakPolarHBondContact CE1-O 3.15Å; H186-H264 AromaticContact CE1-ND1 3.27Å; H186-H264 PolarHBondContact CE1-ND1 2.89Å; H186-H264 VanDerWaalsContact CE1-ND1 3.27Å; H186-H264 WeakPolarHBondContact NE2-CA 3.27Å; H186-H264 WeakPolarHBondContact NE2-CB 3.45Å; H186-H264 AromaticContact NE2-CD2 3.89Å; H186-H264 AromaticContact NE2-CE1 3.57Å; H186-H264 AromaticContact NE2-CG 2.62Å; H186-H264 AromaticContact NE2-ND1 2.35Å; H186-H264 PolarHBondContact NE2-ND1 2.78Å; F261-H264 WeakPolarHBondContact CD1-O 3.35Å; I262-H264 PolarHBondContact O-N 3.09Å
265	R	87.9	Confident	90.5	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.6	172.2	-177.1	-179.8	-54.6	-61.5	0.7	111.1	E37 Y97 F261 I262 N263 V267 K311	E37-R265 VanDerWaalsContact CD-NH1 3.31Å; E37-R265 IonicContact OE1-NH1 2.66Å; E37-R265 PolarHBondContact OE1-NH1 2.84Å; E37-R265 IonicContact OE2-NH1 3.59Å; E37-R265 PolarHBondContact OE2-NH1 2.91Å; Y97-R265 VanDerWaalsContact O-CZ 3.27Å; Y97-R265 PolarHBondContact O-NH1 2.72Å; Y97-R265 PolarHBondContact O-NH2 3.3Å; F261-R265 CarbonylContact C-O 3.59Å; F261-R265 WeakPolarHBondContact CA-O 3.33Å; I262-R265 PolarHBondContact N-O 3.43Å; I262-R265 WeakPolarHBondContact O-CB 3.27Å; I262-R265 PolarHBondContact O-N 2.82Å; N263-R265 PolarHBondContact O-N 2.81Å; R265-V267 HydrophobicContact CB-CG2 4.37Å; R265-V267 HydrophobicContact CG-CG2 4.16Å; R265-V267 PolarHBondContact O-N 3.1Å; R265-K311 WeakPolarHBondContact CD-O 3.48Å
266	L	91.1	Very high	90.7	Very high	20 Å²	20	35.5 Å²	35.5	11%	0.105	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119	167.4	175	62.1	0	0	0	110.6	K33 R182 Y183 F261	K33-L266 PolarHBondContact NZ-O 2.95Å; R182-L266 HydrophobicContact CB-CD1 4.42Å; R182-L266 HydrophobicContact CB-CD2 4.21Å; R182-L266 HydrophobicContact CG-CD1 4.38Å; Y183-L266 HydrophobicContact CD2-CB 4.46Å; Y183-L266 HydrophobicContact CD2-CD2 4.29Å; Y183-L266 HydrophobicContact CE2-CB 3.58Å; Y183-L266 HydrophobicContact CE2-CD2 3.74Å; Y183-L266 HydrophobicContact CE2-CG 4.33Å; F261-L266 HydrophobicContact CD1-CB 4.24Å; F261-L266 HydrophobicContact CE1-CB 3.72Å; F261-L266 HydrophobicContact CE1-CD1 4.39Å; F261-L266 HydrophobicContact CE2-CD1 4.19Å; F261-L266 HydrophobicContact CZ-CB 4.11Å; F261-L266 HydrophobicContact CZ-CD1 4.02Å
267	V	90.4	Very high	90.8	Very high	8 Å²	8	37 Å²	37	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.5	-176.5	177.5	0	0	0	0	109.8	L260 I262 R265 H312 V314	L260-V267 PolarHBondContact O-N 3.31Å; I262-V267 HydrophobicContact CB-CG2 4.19Å; I262-V267 HydrophobicContact CD1-CB 4.32Å; I262-V267 HydrophobicContact CD1-CG1 4.04Å; I262-V267 HydrophobicContact CD1-CG2 4.42Å; I262-V267 HydrophobicContact CG1-CB 4.26Å; I262-V267 HydrophobicContact CG1-CG2 4.22Å; R265-V267 HydrophobicContact CB-CG2 4.37Å; R265-V267 HydrophobicContact CG-CG2 4.16Å; R265-V267 PolarHBondContact O-N 3.1Å; V267-H312 CarbonylContact C-O 3.55Å; V267-H312 WeakPolarHBondContact CA-O 3.23Å; V267-H312 WeakPolarHBondContact CG1-O 3.45Å; V267-V314 HydrophobicContact CG1-CB 4.24Å; V267-V314 HydrophobicContact CG1-CG2 4.35Å; V267-V314 HydrophobicContact CG2-CB 4.23Å; V267-V314 HydrophobicContact CG2-CG2 3.6Å
268	E	89.3	Confident	90.8	Very high	118 Å²	118	39.9 Å²	39.9	55%	0.551	21%	0.207	S	C	*	.			trans	-115	117.6	168	-174	157.8	-163.5	0	0	108.9	H312	E268-H312 PolarHBondContact N-O 3.25Å
269	S	89.7	Confident	90.7	Very high	15 Å²	15	39.4 Å²	39.4	11%	0.105	21%	0.205	C	C	.	.			trans	-116.4	116.6	172.1	170.6	0	0	0	0	109.1	A271 L272 R273	S269-A271 VanDerWaalsContact C-N 3.32Å; S269-L272 PolarHBondContact OG-N 2.91Å; S269-R273 WeakPolarHBondContact O-CB 3.4Å; S269-R273 PolarHBondContact O-N 2.96Å; S269-R273 VanDerWaalsContact O-N 3.16Å
270	T	89.8	Confident	90.4	Very high	94 Å²	94	39.5 Å²	39.5	58%	0.577	21%	0.206	S	C	*	.	H	α-helix	trans	-72.9	-28.4	177.3	64.9	0	0	0	0	111.8	K274	T270-K274 WeakPolarHBondContact O-CB 3.49Å; T270-K274 VanDerWaalsContact O-CG 3.25Å; T270-K274 WeakPolarHBondContact O-CG 3.47Å; T270-K274 PolarHBondContact O-N 2.9Å
271	A	90.4	Very high	90.2	Very high	38 Å²	38	43 Å²	43	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-55	175.8	0	0	0	0	0	111.3	S269 R273 K274 A275 L323	S269-A271 VanDerWaalsContact C-N 3.32Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 2.76Å; A271-K274 PolarHBondContact O-N 3.37Å; A271-K274 VanDerWaalsContact O-N 3.17Å; A271-A275 PolarHBondContact O-N 3.01Å; A271-L323 HydrophobicContact CB-CD1 3.74Å
272	L	89.8	Confident	89.9	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-37.9	178	-175.4	53.7	0	0	0	112.2	F258 L260 S269 A275 I276 L294 L296 L323 V326	F258-L272 HydrophobicContact CZ-CB 4.4Å; F258-L272 HydrophobicContact CZ-CD2 4.06Å; F258-L272 HydrophobicContact CZ-CG 3.96Å; L260-L272 HydrophobicContact CD1-CD2 3.68Å; L260-L272 HydrophobicContact CD2-CD2 4Å; L260-L272 HydrophobicContact CG-CD2 4.49Å; S269-L272 PolarHBondContact OG-N 2.91Å; L272-A275 PolarHBondContact O-N 3.03Å; L272-I276 HydrophobicContact CD1-CD1 3.76Å; L272-I276 HydrophobicContact CD1-CG1 4.09Å; L272-I276 HydrophobicContact CG-CD1 3.9Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.41Å; L272-I276 VanDerWaalsContact O-N 3.12Å; L272-L294 HydrophobicContact CD2-CD1 4.39Å; L272-L296 HydrophobicContact CD2-CD1 4.23Å; L272-L323 HydrophobicContact CB-CD2 3.5Å; L272-L323 HydrophobicContact CD1-CD2 3.65Å; L272-L323 HydrophobicContact CG-CD2 4.05Å; L272-V326 HydrophobicContact CD1-CB 4.3Å; L272-V326 HydrophobicContact CD1-CG1 3.84Å
273	R	91.3	Very high	89.7	Confident	81 Å²	81	49.2 Å²	49.2	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.5	-174.7	175.6	164.6	-148.4	-20	111.8	F258 S269 A271 I276 E277	F258-R273 HydrophobicContact CD1-CB 3.76Å; F258-R273 HydrophobicContact CD1-CG 3.99Å; F258-R273 HydrophobicContact CE1-CB 3.76Å; F258-R273 HydrophobicContact CE1-CG 4.46Å; S269-R273 WeakPolarHBondContact O-CB 3.4Å; S269-R273 PolarHBondContact O-N 2.96Å; S269-R273 VanDerWaalsContact O-N 3.16Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 2.76Å; R273-I276 PolarHBondContact O-N 3.39Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 IonicContact CZ-OE1 3.95Å; R273-E277 VanDerWaalsContact CZ-OE1 3.28Å; R273-E277 IonicContact NE-OE1 3.72Å; R273-E277 PolarHBondContact NE-OE1 3.05Å; R273-E277 IonicContact NE-OE2 3.77Å; R273-E277 IonicContact NH2-OE1 3.88Å; R273-E277 PolarHBondContact NH2-OE1 3.14Å; R273-E277 IonicContact NH2-OE2 2.72Å; R273-E277 WeakPolarHBondContact O-CB 3.43Å; R273-E277 WeakPolarHBondContact O-CG 3.48Å; R273-E277 PolarHBondContact O-N 2.95Å
274	K	90.8	Very high	89.6	Confident	137 Å²	137	47.6 Å²	47.6	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-62.8	-43.9	177.8	-77.2	171.4	178.6	177.1	0	112.1	T270 A271 I276 E277 T278	T270-K274 WeakPolarHBondContact O-CB 3.49Å; T270-K274 VanDerWaalsContact O-CG 3.25Å; T270-K274 WeakPolarHBondContact O-CG 3.47Å; T270-K274 PolarHBondContact O-N 2.9Å; A271-K274 PolarHBondContact O-N 3.37Å; A271-K274 VanDerWaalsContact O-N 3.17Å; K274-I276 VanDerWaalsContact C-N 3.34Å; K274-I276 PolarHBondContact O-N 2.86Å; K274-E277 PolarHBondContact O-N 2.8Å; K274-T278 WeakPolarHBondContact O-CB 3.45Å; K274-T278 PolarHBondContact O-N 3.41Å; K274-T278 PolarHBondContact O-OG1 3.48Å
275	A	91.4	Very high	89.5	Confident	15 Å²	15	47.6 Å²	47.6	12%	0.124	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-45.9	178.7	0	0	0	0	0	111.8	A271 L272 T278 V279	A271-A275 PolarHBondContact O-N 3.01Å; L272-A275 PolarHBondContact O-N 3.03Å; A275-T278 PolarHBondContact O-N 3.35Å; A275-V279 PolarHBondContact O-N 3.48Å
276	I	90.9	Very high	89.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-42.2	177.7	-58.2	163.7	0	0	0	111.3	F258 L272 R273 K274 T278 V279 Y280 L292 L294 V330	F258-I276 HydrophobicContact CE2-CD1 4.3Å; F258-I276 HydrophobicContact CZ-CD1 4.41Å; L272-I276 HydrophobicContact CD1-CD1 3.76Å; L272-I276 HydrophobicContact CD1-CG1 4.09Å; L272-I276 HydrophobicContact CG-CD1 3.9Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.41Å; L272-I276 VanDerWaalsContact O-N 3.12Å; R273-I276 PolarHBondContact O-N 3.39Å; K274-I276 VanDerWaalsContact C-N 3.34Å; K274-I276 PolarHBondContact O-N 2.86Å; I276-T278 PolarHBondContact O-N 2.87Å; I276-V279 PolarHBondContact O-N 3.26Å; I276-V279 VanDerWaalsContact O-N 3.13Å; I276-Y280 HydrophobicContact CG2-CD2 3.62Å; I276-Y280 HydrophobicContact CG2-CE2 3.67Å; I276-Y280 WeakPolarHBondContact O-CD2 3.33Å; I276-Y280 PolarHBondContact O-N 3.31Å; I276-L292 HydrophobicContact CB-CD1 4.14Å; I276-L292 HydrophobicContact CD1-CD1 4.38Å; I276-L292 HydrophobicContact CG2-CD1 3.5Å; I276-L292 VanDerWaalsContact CG2-CD1 3.5Å; I276-L292 HydrophobicContact CG2-CD2 3.78Å; I276-L292 HydrophobicContact CG2-CG 4.3Å; I276-L294 HydrophobicContact CD1-CD1 3.58Å; I276-V330 HydrophobicContact CG2-CG1 4.37Å
277	E	90.3	Very high	88.9	Confident	41 Å²	41	62.5 Å²	62.5	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-35.2	175.6	-77	-179.8	164.1	0	0	112	C256 R273 K274 Y280 A281 H289	C256-E277 WeakPolarHBondContact CB-OE1 3.44Å; C256-E277 PolarHBondContact SG-OE1 3.45Å; C256-E277 VanDerWaalsContact SG-OE1 3.36Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 IonicContact CZ-OE1 3.95Å; R273-E277 VanDerWaalsContact CZ-OE1 3.28Å; R273-E277 IonicContact NE-OE1 3.72Å; R273-E277 PolarHBondContact NE-OE1 3.05Å; R273-E277 IonicContact NE-OE2 3.77Å; R273-E277 IonicContact NH2-OE1 3.88Å; R273-E277 PolarHBondContact NH2-OE1 3.14Å; R273-E277 IonicContact NH2-OE2 2.72Å; R273-E277 WeakPolarHBondContact O-CB 3.43Å; R273-E277 WeakPolarHBondContact O-CG 3.48Å; R273-E277 PolarHBondContact O-N 2.95Å; K274-E277 PolarHBondContact O-N 2.8Å; E277-Y280 PolarHBondContact O-N 3.23Å; E277-A281 WeakPolarHBondContact O-CB 3.36Å; E277-A281 PolarHBondContact O-N 2.98Å; E277-H289 IonicContact OE1-CE1 3.22Å; E277-H289 IonicContact OE1-ND1 3.04Å; E277-H289 PolarHBondContact OE1-ND1 3.06Å; E277-H289 VanDerWaalsContact OE1-ND1 3.08Å
278	T	91.1	Very high	88.9	Confident	97 Å²	97	63.8 Å²	63.8	60%	0.595	35%	0.354	S	S	*	.	H	α-helix	trans	-63.1	-44.1	172.7	-68.3	0	0	0	0	112.4	K274 A275 I276 A281	K274-T278 WeakPolarHBondContact O-CB 3.45Å; K274-T278 PolarHBondContact O-N 3.41Å; K274-T278 PolarHBondContact O-OG1 3.48Å; A275-T278 PolarHBondContact O-N 3.35Å; I276-T278 PolarHBondContact O-N 2.87Å; T278-A281 WeakPolarHBondContact O-CB 3.4Å; T278-A281 PolarHBondContact O-N 3.25Å
279	V	90.7	Very high	89	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-45.7	175.2	174.8	0	0	0	0	110.8	A275 I276 A281 A282 Y283 Q327 V330 E331 L334	A275-V279 PolarHBondContact O-N 3.48Å; I276-V279 PolarHBondContact O-N 3.26Å; I276-V279 VanDerWaalsContact O-N 3.13Å; V279-A281 VanDerWaalsContact C-N 3.27Å; V279-A281 PolarHBondContact O-N 2.83Å; V279-A282 PolarHBondContact O-N 2.82Å; V279-Y283 HydrophobicContact CG1-CE2 4.09Å; V279-Y283 VanDerWaalsContact O-CD2 3.23Å; V279-Y283 WeakPolarHBondContact O-CD2 3.35Å; V279-Q327 HydrophobicContact CG2-CG 3.29Å; V279-V330 HydrophobicContact CG1-CG1 4.4Å; V279-E331 HydrophobicContact CG1-CB 3.91Å; V279-E331 HydrophobicContact CG1-CG 4.36Å; V279-L334 HydrophobicContact CG1-CD1 3.87Å
280	Y	89.8	Confident	89.1	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-23.6	180	-85.5	-88.6	0	0	0	113.8	I246 S247 I276 E277 A282 Y283 L284 P290 L292 V330 L334	I246-Y280 WeakPolarHBondContact CB-OH 3.39Å; I246-Y280 WeakPolarHBondContact CD1-OH 3.48Å; I246-Y280 WeakPolarHBondContact CG1-OH 3.43Å; S247-Y280 VanDerWaalsContact O-CE1 3.29Å; S247-Y280 WeakPolarHBondContact O-CE1 3.49Å; S247-Y280 PolarHBondContact O-OH 2.74Å; I276-Y280 HydrophobicContact CG2-CD2 3.62Å; I276-Y280 HydrophobicContact CG2-CE2 3.67Å; I276-Y280 WeakPolarHBondContact O-CD2 3.33Å; I276-Y280 PolarHBondContact O-N 3.31Å; E277-Y280 PolarHBondContact O-N 3.23Å; Y280-A282 PolarHBondContact O-N 2.84Å; Y280-Y283 PolarHBondContact O-N 3.16Å; Y280-L284 HydrophobicContact CD1-CD1 3.75Å; Y280-L284 HydrophobicContact CD1-CD2 4.46Å; Y280-L284 HydrophobicContact CD1-CG 3.91Å; Y280-L284 HydrophobicContact CG-CD1 4.31Å; Y280-L284 PolarHBondContact O-N 2.86Å; Y280-P290 HydrophobicContact CD1-CB 3.74Å; Y280-P290 HydrophobicContact CD1-CG 4Å; Y280-P290 HydrophobicContact CD2-CB 4.21Å; Y280-P290 HydrophobicContact CD2-CG 3.78Å; Y280-P290 HydrophobicContact CE1-CB 3.6Å; Y280-P290 HydrophobicContact CE1-CG 4.24Å; Y280-P290 HydrophobicContact CE2-CB 4.09Å; Y280-P290 HydrophobicContact CE2-CG 4.03Å; Y280-P290 HydrophobicContact CG-CB 4.01Å; Y280-P290 HydrophobicContact CG-CG 3.73Å; Y280-L292 HydrophobicContact CE2-CD2 3.77Å; Y280-V330 HydrophobicContact CE2-CG1 3.93Å; Y280-L334 HydrophobicContact CD1-CD1 4.3Å; Y280-L334 HydrophobicContact CD2-CD1 4.21Å; Y280-L334 HydrophobicContact CE1-CD1 3.96Å; Y280-L334 HydrophobicContact CE1-CD2 3.87Å; Y280-L334 HydrophobicContact CE2-CD1 3.86Å; Y280-L334 HydrophobicContact CG-CD1 4.45Å
281	A	88.8	Confident	89.3	Confident	77 Å²	77	55 Å²	55	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.1	175.4	0	0	0	0	0	113.7	E277 T278 V279	E277-A281 WeakPolarHBondContact O-CB 3.36Å; E277-A281 PolarHBondContact O-N 2.98Å; T278-A281 WeakPolarHBondContact O-CB 3.4Å; T278-A281 PolarHBondContact O-N 3.25Å; V279-A281 VanDerWaalsContact C-N 3.27Å; V279-A281 PolarHBondContact O-N 2.83Å
282	A	87.5	Confident	89.5	Confident	85 Å²	85	53.2 Å²	53.2	70%	0.702	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.9	171.7	0	0	0	0	0	113.8	V279 Y280	V279-A282 PolarHBondContact O-N 2.82Å; Y280-A282 PolarHBondContact O-N 2.84Å
283	Y	85.9	Confident	89.8	Confident	50 Å²	50	53.7 Å²	53.7	20%	0.196	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-29.5	-172.1	-60.1	-72.9	0	0	0	114.4	V279 Y280 L334 L335	V279-Y283 HydrophobicContact CG1-CE2 4.09Å; V279-Y283 VanDerWaalsContact O-CD2 3.23Å; V279-Y283 WeakPolarHBondContact O-CD2 3.35Å; Y280-Y283 PolarHBondContact O-N 3.16Å; Y283-L334 HydrophobicContact CD2-CB 4.44Å; Y283-L334 HydrophobicContact CD2-CD1 4Å; Y283-L334 HydrophobicContact CE2-CB 4.12Å; Y283-L334 HydrophobicContact CE2-CD1 4.11Å; Y283-L335 WeakPolarHBondContact OH-CD2 3.46Å; Y283-L335 WeakPolarHBondContact OH-CG 3.42Å
284	L	86.9	Confident	90	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.089	28%	0.277	C	S	.	.	S	Bend	trans	-99.4	154.6	-175.4	-63.6	-175.2	0	0	0	113.1	Y280 P290	Y280-L284 HydrophobicContact CD1-CD1 3.75Å; Y280-L284 HydrophobicContact CD1-CD2 4.46Å; Y280-L284 HydrophobicContact CD1-CG 3.91Å; Y280-L284 HydrophobicContact CG-CD1 4.31Å; Y280-L284 PolarHBondContact O-N 2.86Å; L284-P290 HydrophobicContact CD1-CB 4.31Å
285	P	85.9	Confident	90.2	Very high	79 Å²	79	43.6 Å²	43.6	51%	0.513	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-57.5	145.9	169.1	-23.7	34.2	0	0	0	113	T288	P285-T288 HydrophobicContact CB-CG2 4.18Å; P285-T288 WeakPolarHBondContact O-CB 3.48Å; P285-T288 PolarHBondContact O-N 3.15Å; P285-T288 VanDerWaalsContact O-N 3.17Å; P285-T288 PolarHBondContact O-OG1 2.82Å
286	K	82.9	Confident	90.2	Very high	206 Å²	206	43 Å²	43	90%	0.896	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	139.8	176.6	-65.6	-174	178.2	-176	0	111.4	T288	K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.82Å
287	N	84.1	Confident	90.3	Very high	139 Å²	139	46 Å²	46	74%	0.743	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	33	-176.5	-161.5	34.2	0	0	0	114
288	T	89	Confident	90.2	Very high	35 Å²	35	44.3 Å²	44.3	22%	0.215	25%	0.251	C	S	.	.			trans	-131.9	155.2	168.2	75.2	0	0	0	0	110.7	V253 P285 K286	V253-T288 CarbonylContact O-C 3.5Å; V253-T288 WeakPolarHBondContact O-CA 3.23Å; P285-T288 HydrophobicContact CB-CG2 4.18Å; P285-T288 WeakPolarHBondContact O-CB 3.48Å; P285-T288 PolarHBondContact O-N 3.15Å; P285-T288 VanDerWaalsContact O-N 3.17Å; P285-T288 PolarHBondContact O-OG1 2.82Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.82Å
289	H	91.3	Very high	90	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.19	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-134.4	156.5	-171	-61.3	-96	0	0	0	111.4	V253 C256 E277	V253-H289 WeakPolarHBondContact CG2-O 3.48Å; V253-H289 PolarHBondContact N-O 3.35Å; V253-H289 PolarHBondContact O-N 2.97Å; C256-H289 VanDerWaalsContact CA-CB 3.44Å; C256-H289 HydrophobicContact CB-CB 3.67Å; E277-H289 IonicContact OE1-CE1 3.22Å; E277-H289 IonicContact OE1-ND1 3.04Å; E277-H289 PolarHBondContact OE1-ND1 3.06Å; E277-H289 VanDerWaalsContact OE1-ND1 3.08Å
290	P	93	Very high	89.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	25%	0.251	C	S	.	.			trans	-77.5	171.5	175.2	33.2	-38.4	0	0	0	113.7	S247 I257 Y280 L284 L292	S247-P290 WeakPolarHBondContact OG-CA 3.47Å; S247-P290 VanDerWaalsContact OG-CB 3.31Å; S247-P290 WeakPolarHBondContact OG-CB 3.48Å; I257-P290 PolarHBondContact N-O 3.06Å; Y280-P290 HydrophobicContact CD1-CB 3.74Å; Y280-P290 HydrophobicContact CD1-CG 4Å; Y280-P290 HydrophobicContact CD2-CB 4.21Å; Y280-P290 HydrophobicContact CD2-CG 3.78Å; Y280-P290 HydrophobicContact CE1-CB 3.6Å; Y280-P290 HydrophobicContact CE1-CG 4.24Å; Y280-P290 HydrophobicContact CE2-CB 4.09Å; Y280-P290 HydrophobicContact CE2-CG 4.03Å; Y280-P290 HydrophobicContact CG-CB 4.01Å; Y280-P290 HydrophobicContact CG-CG 3.73Å; L284-P290 HydrophobicContact CD1-CB 4.31Å; P290-L292 HydrophobicContact CB-CD2 4.15Å; P290-L292 HydrophobicContact CB-CG 4.13Å; P290-L292 HydrophobicContact CG-CD1 3.8Å; P290-L292 HydrophobicContact CG-CD2 4.03Å; P290-L292 HydrophobicContact CG-CG 3.76Å
291	F	94.3	Very high	89.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.9	154.8	172.7	-84.8	0	0	0	109.3	I216 F220 V224 L228 S247 Y251 I257 L259	I216-F291 HydrophobicContact CD1-CE1 4.1Å; I216-F291 HydrophobicContact CD1-CZ 4.18Å; I216-F291 HydrophobicContact CG1-CE1 4.45Å; I216-F291 HydrophobicContact CG1-CZ 4.07Å; I216-F291 HydrophobicContact CG2-CE1 4.06Å; I216-F291 HydrophobicContact CG2-CE2 4.38Å; I216-F291 HydrophobicContact CG2-CZ 3.8Å; F220-F291 HydrophobicContact CB-CE2 4.5Å; F220-F291 HydrophobicContact CD1-CE2 4.5Å; F220-F291 HydrophobicContact CD2-CD2 4.41Å; F220-F291 AromaticContact CD2-CE2 3.49Å; F220-F291 HydrophobicContact CD2-CE2 3.49Å; F220-F291 VanDerWaalsContact CD2-CE2 3.49Å; F220-F291 HydrophobicContact CD2-CZ 4.14Å; F220-F291 AromaticContact CE2-CE2 3.69Å; F220-F291 HydrophobicContact CE2-CE2 3.69Å; F220-F291 HydrophobicContact CE2-CZ 4.34Å; F220-F291 HydrophobicContact CG-CD2 4.43Å; F220-F291 AromaticContact CG-CE2 3.93Å; F220-F291 HydrophobicContact CG-CE2 3.93Å; F220-F291 HydrophobicContact CZ-CE2 4.29Å; V224-F291 HydrophobicContact CG1-CB 4.05Å; V224-F291 HydrophobicContact CG1-CD1 3.67Å; V224-F291 HydrophobicContact CG1-CD2 3.9Å; V224-F291 HydrophobicContact CG1-CE1 4.11Å; V224-F291 HydrophobicContact CG1-CE2 4.32Å; V224-F291 HydrophobicContact CG1-CG 3.57Å; V224-F291 HydrophobicContact CG1-CZ 4.42Å; L228-F291 HydrophobicContact CD2-CD1 3.68Å; L228-F291 HydrophobicContact CD2-CE1 3.94Å; S247-F291 PolarHBondContact N-O 3.33Å; S247-F291 PolarHBondContact OG-N 3Å; S247-F291 PolarHBondContact OG-O 3.24Å; Y251-F291 HydrophobicContact CD1-CB 4.25Å; Y251-F291 HydrophobicContact CE1-CB 3.79Å; I257-F291 HydrophobicContact CB-CD2 3.85Å; I257-F291 HydrophobicContact CD1-CD2 4.45Å; I257-F291 HydrophobicContact CG2-CD2 3.52Å; I257-F291 HydrophobicContact CG2-CE2 3.7Å; L259-F291 HydrophobicContact CD1-CE2 3.73Å; L259-F291 HydrophobicContact CD1-CZ 3.92Å
292	L	94.5	Very high	89	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.9	-174.7	-62.1	171.6	0	0	0	110.5	I246 I257 F258 L259 I276 Y280 P290	I246-L292 HydrophobicContact CB-CD2 3.91Å; I246-L292 HydrophobicContact CG2-CD2 3.76Å; I257-L292 PolarHBondContact O-N 3.08Å; F258-L292 CarbonylContact C-O 3.58Å; F258-L292 WeakPolarHBondContact CA-O 3.25Å; F258-L292 HydrophobicContact CD2-CB 3.69Å; F258-L292 HydrophobicContact CD2-CD1 4.16Å; F258-L292 HydrophobicContact CE2-CB 4.35Å; L259-L292 WeakPolarHBondContact CD1-O 3.41Å; L259-L292 PolarHBondContact N-O 3.32Å; I276-L292 HydrophobicContact CB-CD1 4.14Å; I276-L292 HydrophobicContact CD1-CD1 4.38Å; I276-L292 HydrophobicContact CG2-CD1 3.5Å; I276-L292 VanDerWaalsContact CG2-CD1 3.5Å; I276-L292 HydrophobicContact CG2-CD2 3.78Å; I276-L292 HydrophobicContact CG2-CG 4.3Å; Y280-L292 HydrophobicContact CE2-CD2 3.77Å; P290-L292 HydrophobicContact CB-CD2 4.15Å; P290-L292 HydrophobicContact CB-CG 4.13Å; P290-L292 HydrophobicContact CG-CD1 3.8Å; P290-L292 HydrophobicContact CG-CD2 4.03Å; P290-L292 HydrophobicContact CG-CG 3.76Å
293	Y	95.6	Very high	88.9	Confident	15 Å²	15	46.1 Å²	46.1	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118	166.3	161.4	-100.9	0	0	0	109.6	I185 H186 T212 G244 Y245 L259 F261	I185-Y293 HydrophobicContact CG2-CD1 4.49Å; I185-Y293 HydrophobicContact CG2-CD2 3.86Å; I185-Y293 HydrophobicContact CG2-CE2 3.97Å; I185-Y293 HydrophobicContact CG2-CG 4.13Å; H186-Y293 HydrophobicContact CB-CE2 4.21Å; H186-Y293 PolarHBondContact ND1-OH 3.05Å; T212-Y293 HydrophobicContact CG2-CD1 4.13Å; T212-Y293 HydrophobicContact CG2-CE1 3.65Å; G244-Y293 CarbonylContact C-O 3.56Å; G244-Y293 WeakPolarHBondContact CA-O 3.44Å; Y245-Y293 AromaticContact CD2-CD1 3.97Å; Y245-Y293 HydrophobicContact CD2-CD1 3.97Å; Y245-Y293 HydrophobicContact CD2-CE1 4.22Å; Y245-Y293 PolarHBondContact N-O 3.26Å; Y245-Y293 PolarHBondContact O-N 3.25Å; L259-Y293 HydrophobicContact CB-CD2 3.96Å; L259-Y293 HydrophobicContact CD2-CD2 4.34Å; L259-Y293 WeakPolarHBondContact O-CA 3.37Å; F261-Y293 HydrophobicContact CD2-CD2 4.4Å; F261-Y293 AromaticContact CD2-CE2 3.97Å; F261-Y293 HydrophobicContact CD2-CE2 3.97Å; F261-Y293 HydrophobicContact CE2-CE2 4.27Å
294	L	95	Very high	88.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136	178.3	-60.7	-178.1	0	0	0	110.6	V231 M242 I246 F258 L259 L260 F261 L272 I276 V326	V231-L294 HydrophobicContact CG2-CD2 3.64Å; M242-L294 HydrophobicContact CG-CD2 4.34Å; M242-L294 HydrophobicContact SD-CD1 4.18Å; M242-L294 HydrophobicContact SD-CD2 3.8Å; M242-L294 HydrophobicContact SD-CG 4.5Å; I246-L294 HydrophobicContact CG2-CD2 4.12Å; F258-L294 HydrophobicContact CE2-CD1 4.25Å; L259-L294 PolarHBondContact O-N 2.99Å; L260-L294 HydrophobicContact CD1-CB 4.25Å; F261-L294 PolarHBondContact N-O 3.44Å; L272-L294 HydrophobicContact CD2-CD1 4.39Å; I276-L294 HydrophobicContact CD1-CD1 3.58Å; L294-V326 HydrophobicContact CD1-CG1 4.21Å
295	S	95.1	Very high	88.2	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.6	170.4	173.5	0	0	0	0	108.9	H186 M242 N243 F261	H186-S295 WeakPolarHBondContact CE1-CB 3.44Å; H186-S295 PolarHBondContact CE1-OG 3.32Å; M242-S295 WeakPolarHBondContact CA-O 3.29Å; N243-S295 PolarHBondContact N-O 3.41Å; N243-S295 PolarHBondContact O-N 3.14Å; F261-S295 WeakPolarHBondContact O-CA 3.39Å
296	L	92.6	Very high	87.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123	173	-59.1	178.7	0	0	0	109.7	F240 M242 L260 F261 I262 N263 L272 I298 V326	F240-L296 HydrophobicContact CD2-CD2 4.46Å; M242-L296 HydrophobicContact CB-CD2 3.65Å; M242-L296 HydrophobicContact CG-CD2 3.71Å; M242-L296 HydrophobicContact SD-CD2 4.34Å; L260-L296 HydrophobicContact CD1-CD1 4.1Å; L260-L296 HydrophobicContact CD1-CG 4.28Å; F261-L296 PolarHBondContact O-N 2.88Å; I262-L296 WeakPolarHBondContact CA-O 3.42Å; I262-L296 HydrophobicContact CG1-CB 4.41Å; I262-L296 HydrophobicContact CG1-CD1 4.36Å; N263-L296 PolarHBondContact N-O 2.77Å; L272-L296 HydrophobicContact CD2-CD1 4.23Å; L296-I298 HydrophobicContact CB-CD1 4.33Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; L296-V326 HydrophobicContact CD2-CG2 4.34Å
297	E	91.3	Very high	87.5	Confident	64 Å²	64	41.2 Å²	41.2	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.2	166.7	-66.2	163.6	-135.9	0	0	106.7	F240 K241 N243	F240-E297 CarbonylContact C-O 3.57Å; F240-E297 WeakPolarHBondContact CA-O 3.48Å; K241-E297 HydrophobicContact CB-CB 4.31Å; K241-E297 PolarHBondContact N-O 3.05Å; K241-E297 IonicContact NZ-OE1 2.71Å; K241-E297 PolarHBondContact NZ-OE1 3.09Å; K241-E297 IonicContact NZ-OE2 3.05Å; K241-E297 PolarHBondContact NZ-OE2 2.89Å; K241-E297 PolarHBondContact O-N 3.27Å; N243-E297 PolarHBondContact ND2-OE1 2.83Å
298	I	89.8	Confident	87.1	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.5	-178	-49.8	177.1	0	0	0	107.6	F240 I262 N263 L296 N302 V303 F316	F240-I298 HydrophobicContact CB-CG1 4.09Å; I262-I298 HydrophobicContact CG2-CD1 4Å; I262-I298 HydrophobicContact CG2-CG1 4.48Å; N263-I298 PolarHBondContact ND2-O 2.97Å; N263-I298 PolarHBondContact OD1-N 2.81Å; N263-I298 PolarHBondContact OD1-O 3.25Å; N263-I298 VanDerWaalsContact OD1-O 3.09Å; L296-I298 HydrophobicContact CB-CD1 4.33Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; I298-N302 HydrophobicContact CG2-CB 4.16Å; I298-V303 HydrophobicContact CB-CG2 3.64Å; I298-V303 HydrophobicContact CD1-CG2 4.39Å; I298-V303 HydrophobicContact CG2-CG2 3.55Å; I298-F316 HydrophobicContact CD1-CB 4.4Å; I298-F316 HydrophobicContact CD1-CD1 4.47Å; I298-F316 HydrophobicContact CD1-CD2 3.88Å; I298-F316 HydrophobicContact CD1-CE2 4.22Å; I298-F316 HydrophobicContact CD1-CG 4.01Å
299	S	86.8	Confident	86.3	Confident	37 Å²	37	37.4 Å²	37.4	26%	0.259	20%	0.201	S	C	.	.			trans	-48	124.8	174	-178.4	0	0	0	0	111.3	A239 Q301 N302	A239-S299 PolarHBondContact O-N 2.93Å; S299-Q301 PolarHBondContact O-N 2.83Å; S299-N302 WeakPolarHBondContact O-CB 3.29Å; S299-N302 PolarHBondContact O-N 2.8Å
300	P	81.8	Confident	85.5	Confident	58 Å²	58	35.7 Å²	35.7	38%	0.377	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-55.8	-27.2	-178.2	-28.9	36.1	0	0	0	114.4	N302 V303	P300-N302 PolarHBondContact O-N 2.74Å; P300-V303 PolarHBondContact O-N 3.18Å
301	Q	81.6	Confident	84.7	Confident	158 Å²	158	36.3 Å²	36.3	74%	0.738	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.6	-24.4	175.1	-64.2	176	-12.5	0	0	113.4	S299	S299-Q301 PolarHBondContact O-N 2.83Å
302	N	84.7	Confident	83.9	Confident	41 Å²	41	39.5 Å²	39.5	22%	0.219	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-95.9	6.8	179.9	-65.9	6.7	0	0	0	112.3	I298 S299 P300 F316 L317	I298-N302 HydrophobicContact CG2-CB 4.16Å; S299-N302 WeakPolarHBondContact O-CB 3.29Å; S299-N302 PolarHBondContact O-N 2.8Å; P300-N302 PolarHBondContact O-N 2.74Å; N302-F316 CarbonylContact O-C 3.53Å; N302-F316 WeakPolarHBondContact O-CA 3.36Å; N302-F316 VanDerWaalsContact O-CB 3.25Å; N302-F316 WeakPolarHBondContact O-CB 3.47Å; N302-L317 HydrophobicContact CB-CB 4.15Å; N302-L317 PolarHBondContact O-N 3.34Å
303	V	84.6	Confident	83.4	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	113.5	-169.2	-175.8	0	0	0	0	111.5	I262 I298 P300 V305 V314 F316	I262-V303 HydrophobicContact CG2-CG1 4.49Å; I298-V303 HydrophobicContact CB-CG2 3.64Å; I298-V303 HydrophobicContact CD1-CG2 4.39Å; I298-V303 HydrophobicContact CG2-CG2 3.55Å; P300-V303 PolarHBondContact O-N 3.18Å; V303-V305 HydrophobicContact CG1-CG1 3.94Å; V303-V305 PolarHBondContact O-N 3.4Å; V303-V314 HydrophobicContact CG1-CG1 3.27Å; V303-F316 HydrophobicContact CG2-CB 4.1Å
304	D	82.1	Confident	82.8	Confident	84 Å²	84	43.1 Å²	43.1	45%	0.449	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.8	169	-173.5	8.2	0	0	0	110.8	N306 V307 H315	D304-N306 WeakPolarHBondContact OD1-CA 3.44Å; D304-N306 WeakPolarHBondContact OD1-CB 3.28Å; D304-N306 PolarHBondContact OD1-N 3.13Å; D304-V307 HydrophobicContact CB-CG2 4.31Å; D304-V307 WeakPolarHBondContact O-CG2 3.43Å; D304-H315 PolarHBondContact N-O 2.93Å; D304-H315 PolarHBondContact O-N 3.33Å
305	V	76.7	Confident	82.3	Confident	32 Å²	32	48.2 Å²	48.2	19%	0.194	25%	0.252	C	S	.	.			trans	-88.8	0.9	174.7	-61.9	0	0	0	0	113.7	F99 V303 V314	F99-V305 HydrophobicContact CE1-CG2 3.8Å; F99-V305 HydrophobicContact CZ-CG2 4.04Å; V303-V305 HydrophobicContact CG1-CG1 3.94Å; V303-V305 PolarHBondContact O-N 3.4Å; V305-V314 HydrophobicContact CG1-CG1 4.47Å
306	N	75.5	Confident	81.8	Confident	79 Å²	79	48.8 Å²	48.8	42%	0.422	26%	0.255	S	S	.	.			trans	-92.7	-10.7	-171.7	-159.7	44.3	0	0	0	113.9	R100 D304 H308	R100-N306 PolarHBondContact NE-OD1 3.01Å; R100-N306 PolarHBondContact NH2-O 3.32Å; R100-N306 PolarHBondContact NH2-OD1 3.31Å; D304-N306 WeakPolarHBondContact OD1-CA 3.44Å; D304-N306 WeakPolarHBondContact OD1-CB 3.28Å; D304-N306 PolarHBondContact OD1-N 3.13Å; N306-H308 PolarHBondContact O-N 3.29Å
307	V	78.7	Confident	81.4	Confident	53 Å²	53	53.4 Å²	53.4	32%	0.321	28%	0.279	S	S	.	.	S	Bend	trans	-46.6	-54.6	-171.1	-176.8	0	0	0	0	114.6	D304 H315	D304-V307 HydrophobicContact CB-CG2 4.31Å; D304-V307 WeakPolarHBondContact O-CG2 3.43Å; V307-H315 HydrophobicContact CG2-CB 4.12Å; V307-H315 VanDerWaalsContact CG2-CD2 3.46Å; V307-H315 WeakPolarHBondContact CG2-CD2 3.31Å
308	H	76.2	Confident	81.2	Confident	49 Å²	49	55.1 Å²	55.1	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-124.6	138.2	-172.1	-167.3	-97.3	0	0	0	113.2	N306 T310 K311 H312 E313	N306-H308 PolarHBondContact O-N 3.29Å; H308-T310 VanDerWaalsContact C-N 3.27Å; H308-T310 PolarHBondContact CE1-OG1 3.21Å; H308-T310 PolarHBondContact ND1-N 3.19Å; H308-T310 PolarHBondContact ND1-OG1 3.34Å; H308-T310 PolarHBondContact O-N 3.2Å; H308-T310 VanDerWaalsContact O-N 3.1Å; H308-K311 WeakPolarHBondContact O-CA 3.22Å; H308-K311 PolarHBondContact O-N 3.12Å; H308-H312 AromaticContact CD2-CE1 3.89Å; H308-H312 AromaticContact CE1-CE1 3.51Å; H308-H312 AromaticContact CE1-ND1 3.9Å; H308-H312 AromaticContact CG-CE1 3.55Å; H308-H312 AromaticContact CG-ND1 3.53Å; H308-H312 AromaticContact ND1-CE1 3.31Å; H308-H312 PolarHBondContact ND1-CE1 3.03Å; H308-H312 VanDerWaalsContact ND1-CE1 3.31Å; H308-H312 AromaticContact ND1-ND1 3.24Å; H308-H312 PolarHBondContact ND1-ND1 3.17Å; H308-H312 AromaticContact NE2-CE1 3.9Å; H308-E313 HydrophobicContact CB-CB 4.45Å; H308-E313 IonicContact CD2-OE2 2.74Å; H308-E313 IonicContact CG-OE2 2.75Å
309	P	72.2	Confident	81	Confident	45 Å²	45	57.1 Å²	57.1	29%	0.292	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.9	-177.3	-30	36.5	0	0	0	116.5	V24 K311	V24-P309 HydrophobicContact CG2-CB 4.36Å; P309-K311 VanDerWaalsContact C-N 3.3Å
310	T	73.3	Confident	81.2	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.037	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	1.4	177.4	65.2	0	0	0	0	114	Q26 K33 H308 H312	Q26-T310 HydrophobicContact CG-CG2 4.27Å; K33-T310 PolarHBondContact NZ-O 3.14Å; K33-T310 VanDerWaalsContact NZ-O 3.07Å; H308-T310 VanDerWaalsContact C-N 3.27Å; H308-T310 PolarHBondContact CE1-OG1 3.21Å; H308-T310 PolarHBondContact ND1-N 3.19Å; H308-T310 PolarHBondContact ND1-OG1 3.34Å; H308-T310 PolarHBondContact O-N 3.2Å; H308-T310 VanDerWaalsContact O-N 3.1Å; T310-H312 PolarHBondContact O-N 2.93Å
311	K	76.6	Confident	81.6	Confident	13 Å²	13	63 Å²	63	6%	0.057	32%	0.32	C	S	.	.	S	Bend	trans	45.3	40.8	-170.5	-36.8	110.2	110.7	-156.9	0	113	K33 E34 E37 R265 H308 P309	K33-K311 PolarHBondContact NZ-O 2.67Å; E34-K311 VanDerWaalsContact OE1-CD 3.3Å; E34-K311 WeakPolarHBondContact OE1-CD 3.41Å; E34-K311 IonicContact OE1-NZ 3.68Å; E34-K311 PolarHBondContact OE1-NZ 3.47Å; E34-K311 IonicContact OE2-NZ 2.64Å; E34-K311 PolarHBondContact OE2-NZ 3.42Å; E37-K311 IonicContact OE2-NZ 2.74Å; E37-K311 PolarHBondContact OE2-NZ 3.46Å; R265-K311 WeakPolarHBondContact CD-O 3.48Å; H308-K311 WeakPolarHBondContact O-CA 3.22Å; H308-K311 PolarHBondContact O-N 3.12Å; P309-K311 VanDerWaalsContact C-N 3.3Å
312	H	77.9	Confident	81.9	Confident	68 Å²	68	55.6 Å²	55.6	32%	0.315	29%	0.285	S	S	.	.			trans	-90.3	-19.3	178.4	77.5	-18.3	0	0	0	114	V267 E268 H308 T310	V267-H312 CarbonylContact C-O 3.55Å; V267-H312 WeakPolarHBondContact CA-O 3.23Å; V267-H312 WeakPolarHBondContact CG1-O 3.45Å; E268-H312 PolarHBondContact N-O 3.25Å; H308-H312 AromaticContact CD2-CE1 3.89Å; H308-H312 AromaticContact CE1-CE1 3.51Å; H308-H312 AromaticContact CE1-ND1 3.9Å; H308-H312 AromaticContact CG-CE1 3.55Å; H308-H312 AromaticContact CG-ND1 3.53Å; H308-H312 AromaticContact ND1-CE1 3.31Å; H308-H312 PolarHBondContact ND1-CE1 3.03Å; H308-H312 VanDerWaalsContact ND1-CE1 3.31Å; H308-H312 AromaticContact ND1-ND1 3.24Å; H308-H312 PolarHBondContact ND1-ND1 3.17Å; H308-H312 AromaticContact NE2-CE1 3.9Å; T310-H312 PolarHBondContact O-N 2.93Å
313	E	82.9	Confident	82.2	Confident	81 Å²	81	54.8 Å²	54.8	38%	0.379	28%	0.281	S	S	.	.			trans	-120.8	151.2	176.1	-71.4	159.5	147.2	0	0	108.1	H308	H308-E313 HydrophobicContact CB-CB 4.45Å; H308-E313 IonicContact CD2-OE2 2.74Å; H308-E313 IonicContact CG-OE2 2.75Å
314	V	84.2	Confident	82.5	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	30%	0.301	C	S	.	.			trans	-148.9	130.7	-177.3	169.5	0	0	0	0	105.9	I262 V267 V303 V305	I262-V314 HydrophobicContact CG2-CG1 4.49Å; V267-V314 HydrophobicContact CG1-CB 4.24Å; V267-V314 HydrophobicContact CG1-CG2 4.35Å; V267-V314 HydrophobicContact CG2-CB 4.23Å; V267-V314 HydrophobicContact CG2-CG2 3.6Å; V303-V314 HydrophobicContact CG1-CG1 3.27Å; V305-V314 HydrophobicContact CG1-CG1 4.47Å
315	H	84.8	Confident	82.9	Confident	107 Å²	107	60.6 Å²	60.6	50%	0.495	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	150.6	172.6	-69.4	-47	0	0	0	109.9	D304 V307	D304-H315 PolarHBondContact N-O 2.93Å; D304-H315 PolarHBondContact O-N 3.33Å; V307-H315 HydrophobicContact CG2-CB 4.12Å; V307-H315 VanDerWaalsContact CG2-CD2 3.46Å; V307-H315 WeakPolarHBondContact CG2-CD2 3.31Å
316	F	83.9	Confident	83.6	Confident	18 Å²	18	59.1 Å²	59.1	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.7	179.3	51.7	-83.8	0	0	0	112.3	I262 I298 N302 V303 E319 I322	I262-F316 HydrophobicContact CD1-CD1 4.3Å; I262-F316 HydrophobicContact CD1-CE1 3.93Å; I298-F316 HydrophobicContact CD1-CB 4.4Å; I298-F316 HydrophobicContact CD1-CD1 4.47Å; I298-F316 HydrophobicContact CD1-CD2 3.88Å; I298-F316 HydrophobicContact CD1-CE2 4.22Å; I298-F316 HydrophobicContact CD1-CG 4.01Å; N302-F316 CarbonylContact O-C 3.53Å; N302-F316 WeakPolarHBondContact O-CA 3.36Å; N302-F316 VanDerWaalsContact O-CB 3.25Å; N302-F316 WeakPolarHBondContact O-CB 3.47Å; V303-F316 HydrophobicContact CG2-CB 4.1Å; F316-E319 HydrophobicContact CD2-CB 4.12Å; F316-E319 HydrophobicContact CE1-CG 4.23Å; F316-E319 HydrophobicContact CE2-CB 3.88Å; F316-E319 HydrophobicContact CE2-CG 3.89Å; F316-E319 HydrophobicContact CZ-CB 4.17Å; F316-E319 HydrophobicContact CZ-CG 3.69Å; F316-E319 PolarHBondContact O-N 3.31Å; F316-I322 HydrophobicContact CD2-CD1 3.87Å; F316-I322 HydrophobicContact CE2-CB 4.07Å; F316-I322 HydrophobicContact CE2-CD1 4.03Å; F316-I322 HydrophobicContact CE2-CG2 4Å
317	L	84.1	Confident	84.3	Confident	99 Å²	99	58.4 Å²	58.4	52%	0.518	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	139.5	-177.6	-165.8	69.5	0	0	0	110.1	N302 E319	N302-L317 HydrophobicContact CB-CB 4.15Å; N302-L317 PolarHBondContact O-N 3.34Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.16Å
318	H	86.4	Confident	84.9	Confident	100 Å²	100	59.4 Å²	59.4	46%	0.463	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	36	-174.9	-47.9	-68.7	0	0	0	114.2	L238 E320 S321 I322	L238-H318 HydrophobicContact CD2-CB 3.74Å; H318-E320 PolarHBondContact O-N 3.14Å; H318-S321 PolarHBondContact O-N 3.5Å; H318-S321 VanDerWaalsContact O-N 3.14Å; H318-I322 PolarHBondContact O-N 2.88Å
319	E	86.9	Confident	85.6	Confident	48 Å²	48	59.1 Å²	59.1	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-47.7	-54.5	179	177.6	161.8	-168.4	0	0	111.8	F316 L317 S321 I322 L323	F316-E319 HydrophobicContact CD2-CB 4.12Å; F316-E319 HydrophobicContact CE1-CG 4.23Å; F316-E319 HydrophobicContact CE2-CB 3.88Å; F316-E319 HydrophobicContact CE2-CG 3.89Å; F316-E319 HydrophobicContact CZ-CB 4.17Å; F316-E319 HydrophobicContact CZ-CG 3.69Å; F316-E319 PolarHBondContact O-N 3.31Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.16Å; E319-S321 VanDerWaalsContact C-N 3.35Å; E319-S321 PolarHBondContact O-N 3.33Å; E319-I322 PolarHBondContact O-N 2.94Å; E319-I322 VanDerWaalsContact O-N 3.09Å; E319-L323 HydrophobicContact CG-CD1 3.88Å; E319-L323 HydrophobicContact CG-CG 3.96Å; E319-L323 VanDerWaalsContact O-CG 3.26Å; E319-L323 WeakPolarHBondContact O-CG 3.15Å; E319-L323 PolarHBondContact O-N 2.83Å
320	E	89.5	Confident	86.5	Confident	167 Å²	167	57 Å²	57	78%	0.78	27%	0.271	S	S	*	.	H	α-helix	trans	-54.8	-44	-179.9	-61.3	-172.4	146.8	0	0	113.7	H318 I322 L323 E324	H318-E320 PolarHBondContact O-N 3.14Å; E320-I322 PolarHBondContact O-N 3.33Å; E320-L323 WeakPolarHBondContact O-CB 3.5Å; E320-L323 PolarHBondContact O-N 2.75Å; E320-E324 WeakPolarHBondContact O-CB 3.36Å; E320-E324 PolarHBondContact O-N 3.33Å
321	S	89.9	Confident	87.3	Confident	52 Å²	52	60.5 Å²	60.5	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-35.8	179.3	-48	0	0	0	0	112.3	H318 E319 R325	H318-S321 PolarHBondContact O-N 3.5Å; H318-S321 VanDerWaalsContact O-N 3.14Å; E319-S321 VanDerWaalsContact C-N 3.35Å; E319-S321 PolarHBondContact O-N 3.33Å; S321-R325 WeakPolarHBondContact O-CB 3.38Å; S321-R325 PolarHBondContact O-N 2.82Å
322	I	89	Confident	87.8	Confident	2 Å²	2	62 Å²	62	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-72	-41	175.1	-67.4	169.4	0	0	0	110.2	L238 F240 F316 H318 E319 E320 R325 V326	L238-I322 HydrophobicContact CB-CG1 4.28Å; L238-I322 HydrophobicContact CD1-CG1 4.06Å; F240-I322 HydrophobicContact CB-CD1 4.48Å; F240-I322 HydrophobicContact CD1-CD1 4.4Å; F240-I322 HydrophobicContact CD1-CG1 3.92Å; F240-I322 HydrophobicContact CD1-CG2 4.4Å; F240-I322 HydrophobicContact CD2-CG2 4.2Å; F240-I322 HydrophobicContact CE1-CG1 4.19Å; F240-I322 HydrophobicContact CE1-CG2 4.4Å; F240-I322 HydrophobicContact CE2-CG2 4.21Å; F240-I322 HydrophobicContact CG-CG1 4.39Å; F240-I322 HydrophobicContact CG-CG2 4.3Å; F240-I322 HydrophobicContact CZ-CG2 4.31Å; F316-I322 HydrophobicContact CD2-CD1 3.87Å; F316-I322 HydrophobicContact CE2-CB 4.07Å; F316-I322 HydrophobicContact CE2-CD1 4.03Å; F316-I322 HydrophobicContact CE2-CG2 4Å; H318-I322 PolarHBondContact O-N 2.88Å; E319-I322 PolarHBondContact O-N 2.94Å; E319-I322 VanDerWaalsContact O-N 3.09Å; E320-I322 PolarHBondContact O-N 3.33Å; I322-R325 PolarHBondContact O-N 3.36Å; I322-V326 HydrophobicContact CG2-CG2 4.49Å; I322-V326 WeakPolarHBondContact O-CG2 3.31Å; I322-V326 PolarHBondContact O-N 2.93Å
323	L	90.6	Very high	88.3	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-49.5	174	-67.8	-177.4	0	0	0	111	A271 L272 E319 E320 R325 V326 Q327	A271-L323 HydrophobicContact CB-CD1 3.74Å; L272-L323 HydrophobicContact CB-CD2 3.5Å; L272-L323 HydrophobicContact CD1-CD2 3.65Å; L272-L323 HydrophobicContact CG-CD2 4.05Å; E319-L323 HydrophobicContact CG-CD1 3.88Å; E319-L323 HydrophobicContact CG-CG 3.96Å; E319-L323 VanDerWaalsContact O-CG 3.26Å; E319-L323 WeakPolarHBondContact O-CG 3.15Å; E319-L323 PolarHBondContact O-N 2.83Å; E320-L323 WeakPolarHBondContact O-CB 3.5Å; E320-L323 PolarHBondContact O-N 2.75Å; L323-R325 PolarHBondContact O-N 3.01Å; L323-V326 PolarHBondContact O-N 2.83Å; L323-Q327 WeakPolarHBondContact O-CB 3.22Å; L323-Q327 PolarHBondContact O-N 3.41Å
324	E	90.9	Very high	88.5	Confident	109 Å²	109	58.4 Å²	58.4	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-45.2	177.2	-163.8	-160.5	166.9	0	0	111.2	E320 V326 Q327 Q328	E320-E324 WeakPolarHBondContact O-CB 3.36Å; E320-E324 PolarHBondContact O-N 3.33Å; E324-V326 VanDerWaalsContact C-N 3.34Å; E324-V326 PolarHBondContact O-N 3.48Å; E324-Q327 WeakPolarHBondContact O-CB 3.43Å; E324-Q327 PolarHBondContact O-N 3.16Å; E324-Q327 VanDerWaalsContact O-N 3.15Å; E324-Q328 VanDerWaalsContact CD-NE2 3.34Å; E324-Q328 HydrophobicContact CG-CG 4.45Å; E324-Q328 VanDerWaalsContact O-CG 3.3Å; E324-Q328 WeakPolarHBondContact O-CG 3.44Å; E324-Q328 PolarHBondContact O-N 3.02Å; E324-Q328 PolarHBondContact OE1-NE2 3.19Å
325	R	90.2	Very high	88.4	Confident	113 Å²	113	62.7 Å²	62.7	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-35.7	-178.9	-154.2	73.5	-178.4	113.4	3.2	112.9	D235 F240 S321 I322 L323 H329	D235-R325 IonicContact OD2-NE 3.69Å; F240-R325 HydrophobicContact CE1-CB 4.3Å; F240-R325 HydrophobicContact CE1-CG 4.31Å; F240-R325 HydrophobicContact CZ-CB 4.09Å; F240-R325 HydrophobicContact CZ-CG 4.17Å; S321-R325 WeakPolarHBondContact O-CB 3.38Å; S321-R325 PolarHBondContact O-N 2.82Å; I322-R325 PolarHBondContact O-N 3.36Å; L323-R325 PolarHBondContact O-N 3.01Å; R325-H329 WeakPolarHBondContact O-CB 3.35Å; R325-H329 PolarHBondContact O-N 3.34Å
326	V	91.5	Very high	87.8	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-44.2	171	170.4	0	0	0	0	110.7	F240 M242 L272 L294 L296 I322 L323 E324 H329 V330	F240-V326 HydrophobicContact CE2-CG2 4.12Å; F240-V326 HydrophobicContact CZ-CG2 4.46Å; M242-V326 HydrophobicContact CE-CG1 4.43Å; M242-V326 HydrophobicContact SD-CB 4.23Å; M242-V326 HydrophobicContact SD-CG1 3.61Å; M242-V326 HydrophobicContact SD-CG2 3.75Å; L272-V326 HydrophobicContact CD1-CB 4.3Å; L272-V326 HydrophobicContact CD1-CG1 3.84Å; L294-V326 HydrophobicContact CD1-CG1 4.21Å; L296-V326 HydrophobicContact CD2-CG2 4.34Å; I322-V326 HydrophobicContact CG2-CG2 4.49Å; I322-V326 WeakPolarHBondContact O-CG2 3.31Å; I322-V326 PolarHBondContact O-N 2.93Å; L323-V326 PolarHBondContact O-N 2.83Å; E324-V326 VanDerWaalsContact C-N 3.34Å; E324-V326 PolarHBondContact O-N 3.48Å; V326-H329 PolarHBondContact O-N 2.57Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CG2 3.33Å; V326-V330 PolarHBondContact O-N 2.96Å
327	Q	91.4	Very high	86.8	Confident	63 Å²	63	61.3 Å²	61.3	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-58.3	-52.6	178.5	-169.2	-176.3	-48.2	0	0	111.6	V279 L323 E324 H329 V330 E331	V279-Q327 HydrophobicContact CG2-CG 3.29Å; L323-Q327 WeakPolarHBondContact O-CB 3.22Å; L323-Q327 PolarHBondContact O-N 3.41Å; E324-Q327 WeakPolarHBondContact O-CB 3.43Å; E324-Q327 PolarHBondContact O-N 3.16Å; E324-Q327 VanDerWaalsContact O-N 3.15Å; Q327-H329 VanDerWaalsContact C-N 3.29Å; Q327-H329 PolarHBondContact O-N 2.72Å; Q327-V330 PolarHBondContact O-N 3.26Å; Q327-E331 WeakPolarHBondContact O-CB 3.34Å; Q327-E331 PolarHBondContact O-N 2.78Å
328	Q	90.3	Very high	85.4	Confident	74 Å²	74	58.4 Å²	58.4	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-39.6	176.6	-69.4	172.4	3.6	0	0	112.3	E324 G332	E324-Q328 VanDerWaalsContact CD-NE2 3.34Å; E324-Q328 HydrophobicContact CG-CG 4.45Å; E324-Q328 VanDerWaalsContact O-CG 3.3Å; E324-Q328 WeakPolarHBondContact O-CG 3.44Å; E324-Q328 PolarHBondContact O-N 3.02Å; E324-Q328 PolarHBondContact OE1-NE2 3.19Å; Q328-G332 PolarHBondContact O-N 3.44Å
329	H	90.6	Very high	83.7	Confident	44 Å²	44	59.1 Å²	59.1	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-70.5	-41.8	179	-172.9	90.1	0	0	0	112.5	G232 M242 R325 V326 Q327 K333	G232-H329 PolarHBondContact N-NE2 3.48Å; G232-H329 PolarHBondContact O-CE1 2.95Å; G232-H329 PolarHBondContact O-NE2 2.87Å; M242-H329 HydrophobicContact CE-CB 4.47Å; R325-H329 WeakPolarHBondContact O-CB 3.35Å; R325-H329 PolarHBondContact O-N 3.34Å; V326-H329 PolarHBondContact O-N 2.57Å; Q327-H329 VanDerWaalsContact C-N 3.29Å; Q327-H329 PolarHBondContact O-N 2.72Å; H329-K333 VanDerWaalsContact NE2-CE 3.33Å; H329-K333 WeakPolarHBondContact NE2-CE 3.47Å; H329-K333 WeakPolarHBondContact O-CB 3.34Å; H329-K333 VanDerWaalsContact O-CG 3.23Å; H329-K333 WeakPolarHBondContact O-CG 3.35Å; H329-K333 PolarHBondContact O-N 3.2Å; H329-K333 VanDerWaalsContact O-N 3.08Å
330	V	90.8	Very high	81.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-45.1	175.7	168.1	0	0	0	0	110.5	I246 I276 V279 Y280 V326 Q327 K333 L334	I246-V330 HydrophobicContact CD1-CG1 3.94Å; I246-V330 HydrophobicContact CD1-CG2 4.48Å; I276-V330 HydrophobicContact CG2-CG1 4.37Å; V279-V330 HydrophobicContact CG1-CG1 4.4Å; Y280-V330 HydrophobicContact CE2-CG1 3.93Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CG2 3.33Å; V326-V330 PolarHBondContact O-N 2.96Å; Q327-V330 PolarHBondContact O-N 3.26Å; V330-K333 PolarHBondContact O-N 3.46Å; V330-L334 HydrophobicContact CG1-CD1 3.93Å; V330-L334 WeakPolarHBondContact O-CG 3.42Å; V330-L334 PolarHBondContact O-N 3.21Å
331	E	90.5	Very high	79.7	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-49.8	176.2	-177.8	170.7	-153.9	0	0	112.1	V279 Q327 K333 L334 L335	V279-E331 HydrophobicContact CG1-CB 3.91Å; V279-E331 HydrophobicContact CG1-CG 4.36Å; Q327-E331 WeakPolarHBondContact O-CB 3.34Å; Q327-E331 PolarHBondContact O-N 2.78Å; E331-K333 VanDerWaalsContact C-N 3.26Å; E331-K333 PolarHBondContact O-N 3.36Å; E331-L334 PolarHBondContact O-N 2.96Å; E331-L334 VanDerWaalsContact O-N 3.13Å; E331-L335 HydrophobicContact CG-CD1 4.05Å; E331-L335 WeakPolarHBondContact O-CG 3.4Å; E331-L335 PolarHBondContact O-N 2.91Å
332	G	88	Confident	77.2	Confident	43 Å²	43	64.7 Å²	64.7	44%	0.443	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-35.2	177.1	0	0	0	0	0	113.7	Q328 G336	Q328-G332 PolarHBondContact O-N 3.44Å; G332-G336 PolarHBondContact O-N 3.42Å
333	K	88.3	Confident	74.6	Confident	73 Å²	73	72.2 Å²	72.2	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-70.7	-40	175.2	-74.3	-89.3	-174.6	160.2	0	112.7	I229 E230 V231 H329 V330 E331 G336 S337	I229-K333 HydrophobicContact CG2-CB 4.46Å; I229-K333 HydrophobicContact CG2-CD 4.25Å; E230-K333 PolarHBondContact O-NZ 3.25Å; V231-K333 HydrophobicContact CG1-CB 4.41Å; V231-K333 HydrophobicContact CG1-CD 4.47Å; V231-K333 HydrophobicContact CG1-CG 4.13Å; H329-K333 VanDerWaalsContact NE2-CE 3.33Å; H329-K333 WeakPolarHBondContact NE2-CE 3.47Å; H329-K333 WeakPolarHBondContact O-CB 3.34Å; H329-K333 VanDerWaalsContact O-CG 3.23Å; H329-K333 WeakPolarHBondContact O-CG 3.35Å; H329-K333 PolarHBondContact O-N 3.2Å; H329-K333 VanDerWaalsContact O-N 3.08Å; V330-K333 PolarHBondContact O-N 3.46Å; E331-K333 VanDerWaalsContact C-N 3.26Å; E331-K333 PolarHBondContact O-N 3.36Å; K333-G336 PolarHBondContact O-N 3.18Å; K333-S337 PolarHBondContact O-N 2.62Å; K333-S337 VanDerWaalsContact O-N 3.09Å; K333-S337 PolarHBondContact O-OG 2.8Å
334	L	86.4	Confident	71.9	Confident	2 Å²	2	80.5 Å²	80.5	1%	0.01	42%	0.416	C	S	.	.	H	α-helix	trans	-68.3	-38.6	175.6	-70.7	168.8	0	0	0	111.9	I229 I246 V279 Y280 Y283 V330 E331 S337 N338	I229-L334 HydrophobicContact CD1-CD2 4.24Å; I246-L334 HydrophobicContact CD1-CD2 4.47Å; I246-L334 HydrophobicContact CD1-CG 4.41Å; V279-L334 HydrophobicContact CG1-CD1 3.87Å; Y280-L334 HydrophobicContact CD1-CD1 4.3Å; Y280-L334 HydrophobicContact CD2-CD1 4.21Å; Y280-L334 HydrophobicContact CE1-CD1 3.96Å; Y280-L334 HydrophobicContact CE1-CD2 3.87Å; Y280-L334 HydrophobicContact CE2-CD1 3.86Å; Y280-L334 HydrophobicContact CG-CD1 4.45Å; Y283-L334 HydrophobicContact CD2-CB 4.44Å; Y283-L334 HydrophobicContact CD2-CD1 4Å; Y283-L334 HydrophobicContact CE2-CB 4.12Å; Y283-L334 HydrophobicContact CE2-CD1 4.11Å; V330-L334 HydrophobicContact CG1-CD1 3.93Å; V330-L334 WeakPolarHBondContact O-CG 3.42Å; V330-L334 PolarHBondContact O-N 3.21Å; E331-L334 PolarHBondContact O-N 2.96Å; E331-L334 VanDerWaalsContact O-N 3.13Å; L334-S337 PolarHBondContact O-N 3.44Å; L334-N338 PolarHBondContact O-N 2.84Å; L334-N338 PolarHBondContact O-ND2 2.92Å
335	L	83.2	Confident	68.9	Low	98 Å²	98	80.4 Å²	80.4	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-49	170.9	-74.4	166.8	0	0	0	111.3	Y283 E331 S337 N338	Y283-L335 WeakPolarHBondContact OH-CD2 3.46Å; Y283-L335 WeakPolarHBondContact OH-CG 3.42Å; E331-L335 HydrophobicContact CG-CD1 4.05Å; E331-L335 WeakPolarHBondContact O-CG 3.4Å; E331-L335 PolarHBondContact O-N 2.91Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 3.01Å; L335-N338 WeakPolarHBondContact O-CB 3.14Å; L335-N338 PolarHBondContact O-N 3.13Å; L335-N338 VanDerWaalsContact O-N 3.14Å
336	G	70.8	Confident	66.2	Low	51 Å²	51	83 Å²	83	53%	0.526	44%	0.44	S	S	.	.	H	α-helix	trans	-57.2	-41.2	177.5	0	0	0	0	0	113.4	G332 K333 N338 S339	G332-G336 PolarHBondContact O-N 3.42Å; K333-G336 PolarHBondContact O-N 3.18Å; G336-N338 VanDerWaalsContact C-N 3.33Å; G336-N338 PolarHBondContact O-N 3.09Å; G336-S339 PolarHBondContact O-N 3.19Å
337	S	63.3	Low	63.4	Low	45 Å²	45	88 Å²	88	32%	0.315	47%	0.47	S	S	.	.	H	α-helix	trans	-75.2	-16.6	-179.7	-63.4	0	0	0	0	114.1	I229 K333 L334 L335 S339 S340	I229-S337 VanDerWaalsContact CD1-OG 3.28Å; I229-S337 WeakPolarHBondContact CD1-OG 3.38Å; K333-S337 PolarHBondContact O-N 2.62Å; K333-S337 VanDerWaalsContact O-N 3.09Å; K333-S337 PolarHBondContact O-OG 2.8Å; L334-S337 PolarHBondContact O-N 3.44Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 3.01Å; S337-S339 PolarHBondContact O-N 2.99Å; S337-S340 PolarHBondContact O-N 2.89Å; S337-S340 PolarHBondContact O-OG 2.48Å; S337-S340 VanDerWaalsContact O-OG 3.1Å
338	N	55.7	Low	60.7	Low	39 Å²	39	92 Å²	92	21%	0.209	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-70.6	-15.2	174	-90.5	-76.7	0	0	0	113.3	L334 L335 G336 S340 R341	L334-N338 PolarHBondContact O-N 2.84Å; L334-N338 PolarHBondContact O-ND2 2.92Å; L335-N338 WeakPolarHBondContact O-CB 3.14Å; L335-N338 PolarHBondContact O-N 3.13Å; L335-N338 VanDerWaalsContact O-N 3.14Å; G336-N338 VanDerWaalsContact C-N 3.33Å; G336-N338 PolarHBondContact O-N 3.09Å; N338-S340 PolarHBondContact O-N 3.2Å; N338-R341 VanDerWaalsContact OD1-CZ 3.25Å; N338-R341 PolarHBondContact OD1-NE 2.6Å; N338-R341 PolarHBondContact OD1-NH2 2.8Å
339	S	49.6	Very low	57.9	Low	115 Å²	115	95.8 Å²	95.8	80%	0.804	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-67.2	-13.3	175.9	-169.9	0	0	0	0	113.7	G336 S337	G336-S339 PolarHBondContact O-N 3.19Å; S337-S339 PolarHBondContact O-N 2.99Å
340	S	47.3	Very low	55.1	Low	92 Å²	92	100 Å²	100	64%	0.643	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-116.7	35.8	-174.4	43.1	0	0	0	0	113.7	S337 N338 M342	S337-S340 PolarHBondContact O-N 2.89Å; S337-S340 PolarHBondContact O-OG 2.48Å; S337-S340 VanDerWaalsContact O-OG 3.1Å; N338-S340 PolarHBondContact O-N 3.2Å; S340-M342 PolarHBondContact O-N 2.79Å
341	R	44.9	Very low	52.6	Low	124 Å²	124	103.5 Å²	103.5	47%	0.468	58%	0.582	S	S	.	*			trans	-67.3	92.9	174	-74.4	-174.2	-178.3	-157.3	-2.5	112.3	N338 Y343	N338-R341 VanDerWaalsContact OD1-CZ 3.25Å; N338-R341 PolarHBondContact OD1-NE 2.6Å; N338-R341 PolarHBondContact OD1-NH2 2.8Å; R341-Y343 VanDerWaalsContact C-N 3.33Å; R341-Y343 HydrophobicContact CB-CD2 4.11Å; R341-Y343 HydrophobicContact CB-CE2 3.8Å; R341-Y343 VanDerWaalsContact CD-OH 3.22Å; R341-Y343 WeakPolarHBondContact CD-OH 3.3Å; R341-Y343 PolarHBondContact NH1-OH 2.84Å; R341-Y343 PolarHBondContact O-N 2.8Å
342	M	37.5	Very low	49.8	Very low	168 Å²	168	108.1 Å²	108.1	83%	0.828	61%	0.608	S	S	*	*			trans	-73.1	87.6	159.9	-71.8	-165.8	-66.7	0	0	109.8	S340 F344	S340-M342 PolarHBondContact O-N 2.79Å; M342-F344 PolarHBondContact O-N 3.06Å; M342-F344 VanDerWaalsContact O-N 3.09Å
343	Y	35.1	Very low	47.1	Very low	159 Å²	159	111 Å²	111	62%	0.624	63%	0.628	S	S	*	*			trans	-66.1	106.3	169.8	-65.6	-81.8	0	0	0	110	R341 T345	R341-Y343 VanDerWaalsContact C-N 3.33Å; R341-Y343 HydrophobicContact CB-CD2 4.11Å; R341-Y343 HydrophobicContact CB-CE2 3.8Å; R341-Y343 VanDerWaalsContact CD-OH 3.22Å; R341-Y343 WeakPolarHBondContact CD-OH 3.3Å; R341-Y343 PolarHBondContact NH1-OH 2.84Å; R341-Y343 PolarHBondContact O-N 2.8Å; Y343-T345 PolarHBondContact O-N 2.86Å
344	F	33.2	Very low	44.2	Very low	198 Å²	198	110.8 Å²	110.8	87%	0.868	65%	0.646	S	S	*	*			trans	-73.9	71	163.3	-100.4	-86.1	0	0	0	109.8	M342 Q346	M342-F344 PolarHBondContact O-N 3.06Å; M342-F344 VanDerWaalsContact O-N 3.09Å; F344-Q346 PolarHBondContact O-N 2.96Å
345	T	28.2	Very low	42.4	Very low	106 Å²	106	116.5 Å²	116.5	65%	0.65	68%	0.684	S	S	*	*			trans	-69.2	93.4	167.9	49.7	0	0	0	0	109	Y343 T347	Y343-T345 PolarHBondContact O-N 2.86Å; T345-T347 PolarHBondContact O-N 3.39Å; T345-T347 PolarHBondContact O-OG1 2.88Å
346	Q	34.5	Very low	39.8	Very low	169 Å²	169	117.9 Å²	117.9	79%	0.79	70%	0.701	S	S	*	*			trans	-72.5	85.8	166.3	-172.2	173.5	7.2	0	0	108.8	F344 L348	F344-Q346 PolarHBondContact O-N 2.96Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.41Å
347	T	32.7	Very low	37.7	Very low	106 Å²	106	118.4 Å²	118.4	65%	0.65	71%	0.707	S	S	*	*			trans	-68.9	87.6	-178.5	-48.6	0	0	0	0	110.7	T345 L349	T345-T347 PolarHBondContact O-N 3.39Å; T345-T347 PolarHBondContact O-OG1 2.88Å; T347-L349 PolarHBondContact O-N 2.94Å
348	L	33.9	Very low	35.9	Very low	146 Å²	146	125.1 Å²	125.1	76%	0.764	73%	0.733	S	S	*	*			trans	-68.8	97.1	169.7	-74.3	172.4	0	0	0	109.4	Q346 P350	Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.41Å; L348-P350 WeakPolarHBondContact O-CD 3.42Å
349	L	30.6	Very low	34.6	Very low	153 Å²	153	129.2 Å²	129.2	80%	0.801	76%	0.759	S	S	*	*			trans	-63.7	125.1	173.5	-76.3	164.2	0	0	0	110.3	T347 G351	T347-L349 PolarHBondContact O-N 2.94Å; L349-G351 PolarHBondContact O-N 2.86Å
350	P	33.4	Very low	33.7	Very low	133 Å²	133	129.5 Å²	129.5	86%	0.864	76%	0.756	S	S	*	*	S	Bend	trans	-73.1	119.6	178.1	-16.1	30.6	0	0	0	111.7	L348	L348-P350 WeakPolarHBondContact O-CD 3.42Å
351	G	38.3	Very low	32.7	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	76%	0.761	S	S	*	*			trans	101.1	86.3	160.4	0	0	0	0	0	116.8	L349	L349-G351 PolarHBondContact O-N 2.86Å
352	L	31	Very low	31.8	Very low	176 Å²	176	131.8 Å²	131.8	92%	0.921	77%	0.769	S	S	*	*			trans	-153.8	126.2	153	-113.8	160.5	0	0	0	109.2
353	A	31.5	Very low	31.2	Very low	104 Å²	104	129.7 Å²	129.7	86%	0.86	77%	0.766	S	S	*	*			trans	-110	85.1	-164.9	0	0	0	0	0	113.4
354	G	26.9	Very low	30.9	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	77%	0.771	S	S	*	*			trans	65.4	-166.6	167.1	0	0	0	0	0	116.2
355	P	49	Very low	30.4	Very low	122 Å²	122	121.8 Å²	121.8	79%	0.792	76%	0.764	S	S	*	*			cis	-124.9	-171.1	-6.5	41.5	-27.4	0	0	0	113.7
356	S	28.3	Very low	30.4	Very low	127 Å²	127	123.6 Å²	123.6	89%	0.888	78%	0.775	S	S	*	*			trans	72.6	144.5	175.5	76.8	0	0	0	0	117.2
357	G	26.7	Very low	30.1	Very low	62 Å²	62	120 Å²	120	64%	0.639	77%	0.774	S	S	*	*			cis	173	138.8	-10.4	0	0	0	0	0	114.3
358	E	26.4	Very low	29.8	Very low	187 Å²	187	121 Å²	121	87%	0.874	79%	0.785	S	S	*	*			trans	65.5	163.2	168	-45.8	-164	114.3	0	0	114.6
359	V	28.3	Very low	29.5	Very low	124 Å²	124	119.8 Å²	119.8	75%	0.752	79%	0.789	S	S	*	*			cis	-137.7	127.2	19.3	171.8	0	0	0	0	111.6
360	V	29	Very low	29.2	Very low	121 Å²	121	118.7 Å²	118.7	73%	0.733	79%	0.794	S	S	*	*			trans	26.8	143.5	136.9	176.9	0	0	0	0	120.5
361	K	27.1	Very low	29	Very low	175 Å²	175	116.6 Å²	116.6	76%	0.761	79%	0.788	S	S	*	*			cis	174.2	176.5	-15.6	-165.7	177.9	179	177.9	0	108.1
362	S	25.3	Very low	28.4	Very low	90 Å²	90	118.9 Å²	118.9	63%	0.629	79%	0.792	S	S	*	*			trans	81.8	146.7	148.6	-55.1	0	0	0	0	117.9
363	T	25.8	Very low	28.3	Very low	123 Å²	123	114.3 Å²	114.3	76%	0.755	79%	0.788	S	S	*	*			cis	-165.4	163.1	-21.2	29.1	0	0	0	0	105.3
364	V	28.2	Very low	28.8	Very low	122 Å²	122	115.9 Å²	115.9	74%	0.739	79%	0.792	S	S	*	*			cis	-153	143.2	44.4	175.1	0	0	0	0	105.9
365	G	24.4	Very low	29	Very low	70 Å²	70	115.9 Å²	115.9	72%	0.722	79%	0.792	S	S	*	*				68.1	140.3	80.7	0	0	0	0	0	112.1
366	V	27.7	Very low	28.2	Very low	144 Å²	144	117.8 Å²	117.8	87%	0.873	80%	0.796	S	S	*	*			cis	-140.7	160.6	25.1	172.2	0	0	0	0	110.2
367	A	26.8	Very low	28.7	Very low	93 Å²	93	119.7 Å²	119.7	77%	0.769	79%	0.788	S	S	*	*			trans	-117.6	156.2	176.5	0	0	0	0	0	112.6
368	S	26.5	Very low	29.5	Very low	127 Å²	127	121.2 Å²	121.2	89%	0.888	79%	0.785	S	S	*	*			trans	-153.4	161.8	156.1	62.2	0	0	0	0	110.1
369	S	27.7	Very low	30.4	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	77%	0.769	S	S	*	*			trans	-136.8	140.5	-166.7	57.1	0	0	0	0	112.5
370	S	25.6	Very low	31.4	Very low	130 Å²	130	114.7 Å²	114.7	91%	0.909	75%	0.748	S	S	*	*			trans	-143.9	158.6	163.8	54.3	0	0	0	0	110.8
371	A	27.5	Very low	32.3	Very low	88 Å²	88	114.3 Å²	114.3	73%	0.727	73%	0.734	S	S	*	*			trans	-98.3	160.1	-152.7	0	0	0	0	0	115.9
372	S	27.5	Very low	33.3	Very low	123 Å²	123	111.1 Å²	111.1	86%	0.86	72%	0.721	S	S	*	*			trans	50.5	106	144.7	60.4	0	0	0	0	119.6
373	G	28.5	Very low	34.6	Very low	80 Å²	80	113.3 Å²	113.3	83%	0.825	72%	0.723	S	S	*	*			trans	-145.5	117.6	150.5	0	0	0	0	0	108.9	G375	G373-G375 PolarHBondContact O-N 2.96Å
374	S	40.9	Very low	35.8	Very low	137 Å²	137	109.5 Å²	109.5	96%	0.958	70%	0.7	S	S	*	*			trans	-82.1	109.3	-178	53.6	0	0	0	0	111
375	G	31	Very low	37.1	Very low	68 Å²	68	109.7 Å²	109.7	70%	0.701	69%	0.688	S	S	*	*			trans	-132.8	132.2	162.9	0	0	0	0	0	108.6	G373 K377	G373-G375 PolarHBondContact O-N 2.96Å; G375-K377 PolarHBondContact O-N 2.89Å
376	D	33.8	Very low	38.2	Very low	162 Å²	162	111.3 Å²	111.3	87%	0.866	68%	0.684	S	S	*	*			trans	-58.4	133.3	173.8	-87.3	-52.2	0	0	0	110	V378	D376-V378 VanDerWaalsContact C-N 3.32Å; D376-V378 PolarHBondContact O-N 2.99Å
377	K	38.8	Very low	39.2	Very low	167 Å²	167	108.6 Å²	108.6	73%	0.726	66%	0.664	S	S	*	*			trans	-69.5	95.5	167	-79.4	-172.3	175.3	-177.7	0	107.7	G375 Y379	G375-K377 PolarHBondContact O-N 2.89Å; K377-Y379 HydrophobicContact CB-CE2 4.49Å; K377-Y379 WeakPolarHBondContact O-CD2 3.27Å; K377-Y379 VanDerWaalsContact O-CE2 3.31Å; K377-Y379 WeakPolarHBondContact O-CE2 3.34Å; K377-Y379 PolarHBondContact O-N 2.77Å
378	V	43.2	Very low	40.4	Very low	93 Å²	93	106.7 Å²	106.7	56%	0.564	65%	0.645	S	S	*	*			trans	-59.9	103.9	166.8	-177.6	0	0	0	0	107.4	D376 Q382 M383	D376-V378 VanDerWaalsContact C-N 3.32Å; D376-V378 PolarHBondContact O-N 2.99Å; V378-Q382 HydrophobicContact CG1-CB 3.96Å; V378-M383 HydrophobicContact CG1-CG 3.98Å
379	Y	45.5	Very low	41.5	Very low	137 Å²	137	111.1 Å²	111.1	54%	0.537	64%	0.642	S	S	.	*			trans	-71.3	152	-178	-68.5	-86.1	0	0	0	109.8	K377 Y381 Q382 M383	K377-Y379 HydrophobicContact CB-CE2 4.49Å; K377-Y379 WeakPolarHBondContact O-CD2 3.27Å; K377-Y379 VanDerWaalsContact O-CE2 3.31Å; K377-Y379 WeakPolarHBondContact O-CE2 3.34Å; K377-Y379 PolarHBondContact O-N 2.77Å; Y379-Y381 HydrophobicContact CD1-CE1 4.37Å; Y379-Y381 HydrophobicContact CD2-CE1 4.07Å; Y379-Y381 HydrophobicContact CG-CD1 4.36Å; Y379-Y381 AromaticContact CG-CE1 3.66Å; Y379-Y381 HydrophobicContact CG-CE1 3.66Å; Y379-Y381 PolarHBondContact O-N 2.89Å; Y379-Y381 VanDerWaalsContact O-N 3.08Å; Y379-Q382 WeakPolarHBondContact O-CA 3.38Å; Y379-Q382 VanDerWaalsContact O-CB 3.31Å; Y379-Q382 WeakPolarHBondContact O-CB 2.55Å; Y379-Q382 PolarHBondContact O-N 2.96Å; Y379-M383 PolarHBondContact O-N 3.48Å
380	A	47.7	Very low	43	Very low	38 Å²	38	109.7 Å²	109.7	31%	0.314	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-60.8	-24.6	-176	0	0	0	0	0	114.2	Q382 M383 Y745	A380-Q382 PolarHBondContact O-N 2.84Å; A380-M383 HydrophobicContact CB-CE 4.05Å; A380-M383 PolarHBondContact O-N 2.88Å; A380-M383 VanDerWaalsContact O-N 3.11Å; A380-Y745 VanDerWaalsContact CB-OH 3.24Å; A380-Y745 WeakPolarHBondContact CB-OH 3.21Å
381	Y	48.3	Very low	44.3	Very low	113 Å²	113	110.8 Å²	110.8	44%	0.443	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-68.7	-20.6	171.6	70.2	-99.6	0	0	0	113.6	Y379	Y379-Y381 HydrophobicContact CD1-CE1 4.37Å; Y379-Y381 HydrophobicContact CD2-CE1 4.07Å; Y379-Y381 HydrophobicContact CG-CD1 4.36Å; Y379-Y381 AromaticContact CG-CE1 3.66Å; Y379-Y381 HydrophobicContact CG-CE1 3.66Å; Y379-Y381 PolarHBondContact O-N 2.89Å; Y379-Y381 VanDerWaalsContact O-N 3.08Å
382	Q	49.2	Very low	45.5	Very low	107 Å²	107	111.6 Å²	111.6	50%	0.5	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-87.4	-8.1	172.3	-53.9	174.2	-62.4	0	0	112.2	V378 Y379 A380	V378-Q382 HydrophobicContact CG1-CB 3.96Å; Y379-Q382 WeakPolarHBondContact O-CA 3.38Å; Y379-Q382 VanDerWaalsContact O-CB 3.31Å; Y379-Q382 WeakPolarHBondContact O-CB 2.55Å; Y379-Q382 PolarHBondContact O-N 2.96Å; A380-Q382 PolarHBondContact O-N 2.84Å
383	M	51.3	Low	46.4	Very low	136 Å²	136	111.4 Å²	111.4	67%	0.67	59%	0.592	S	S	*	*	S	Bend	trans	-96.2	2.9	172	-62.2	-166.4	-74.3	0	0	112.9	V378 Y379 A380	V378-M383 HydrophobicContact CG1-CG 3.98Å; Y379-M383 PolarHBondContact O-N 3.48Å; A380-M383 HydrophobicContact CB-CE 4.05Å; A380-M383 PolarHBondContact O-N 2.88Å; A380-M383 VanDerWaalsContact O-N 3.11Å
384	V	51.5	Low	47.2	Very low	44 Å²	44	112.6 Å²	112.6	27%	0.267	58%	0.579	S	S	.	*	S	Bend	trans	-84.3	127.7	171.1	177.1	0	0	0	0	108.7	T386 L741	V384-T386 PolarHBondContact O-N 3.1Å; V384-L741 HydrophobicContact CG2-CD2 3.68Å
385	R	54.8	Low	47.5	Very low	126 Å²	126	108.7 Å²	108.7	48%	0.475	56%	0.555	S	S	.	*			trans	-62.2	117.3	176.2	-64.5	-175.9	-179.1	100.8	-2.5	109.8
386	T	47.5	Very low	47.9	Very low	104 Å²	104	112.6 Å²	112.6	64%	0.638	55%	0.553	S	S	*	*			trans	-104.3	-16.7	179	46.8	0	0	0	0	113.5	V384	V384-T386 PolarHBondContact O-N 3.1Å
387	D	48.6	Very low	48.2	Very low	87 Å²	87	111.6 Å²	111.6	47%	0.465	55%	0.547	S	S	.	.			trans	-85.6	140	176.3	-159.4	-38.7	0	0	0	111	R389	D387-R389 VanDerWaalsContact C-N 3.28Å; D387-R389 WeakPolarHBondContact OD1-CB 2.99Å; D387-R389 VanDerWaalsContact OD1-CG 3.27Å; D387-R389 WeakPolarHBondContact OD1-CG 3.33Å; D387-R389 PolarHBondContact OD1-N 3.24Å
388	S	52	Low	48.1	Very low	52 Å²	52	110.9 Å²	110.9	36%	0.364	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.6	176.8	69.1	0	0	0	0	113.8
389	R	50.6	Low	47.7	Very low	220 Å²	220	112.2 Å²	112.2	83%	0.83	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-9.8	-176.9	-55.1	176.6	90.6	159.3	8.3	114	D387	D387-R389 VanDerWaalsContact C-N 3.28Å; D387-R389 WeakPolarHBondContact OD1-CB 2.99Å; D387-R389 VanDerWaalsContact OD1-CG 3.27Å; D387-R389 WeakPolarHBondContact OD1-CG 3.33Å; D387-R389 PolarHBondContact OD1-N 3.24Å
390	D	58.4	Low	46.9	Very low	92 Å²	92	111.7 Å²	111.7	49%	0.492	57%	0.568	S	S	.	*	S	Bend	trans	-67.3	152	176.3	-90.7	-19.1	0	0	0	112.6	K392	D390-K392 PolarHBondContact O-N 3.19Å
391	Q	52.7	Low	46.1	Very low	152 Å²	152	115.3 Å²	115.3	71%	0.71	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-66.2	134.1	-179.8	-72	-172.9	-12.4	0	0	112.9
392	K	54.4	Low	45.2	Very low	105 Å²	105	118.7 Å²	118.7	46%	0.457	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-59.5	154.2	175.9	-69.5	-175.1	173.7	-175.7	0	112.5	D390 D394 A395 E712	D390-K392 PolarHBondContact O-N 3.19Å; K392-D394 PolarHBondContact O-N 3.08Å; K392-D394 VanDerWaalsContact O-N 3.16Å; K392-A395 PolarHBondContact O-N 3.39Å; K392-E712 IonicContact NZ-OE1 2.88Å; K392-E712 PolarHBondContact NZ-OE1 2.79Å
393	L	45.9	Very low	44.1	Very low	119 Å²	119	120 Å²	120	62%	0.623	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-57.5	-26.9	178	-91.3	160.5	0	0	0	114	A395 F396	L393-A395 PolarHBondContact O-N 3.31Å; L393-F396 WeakPolarHBondContact O-CB 3.48Å; L393-F396 PolarHBondContact O-N 2.86Å
394	D	45	Very low	43.1	Very low	106 Å²	106	120.6 Å²	120.6	57%	0.567	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-61.4	-26.7	179.9	-52	-65.7	0	0	0	113.3	K392 F396 L397	K392-D394 PolarHBondContact O-N 3.08Å; K392-D394 VanDerWaalsContact O-N 3.16Å; D394-F396 PolarHBondContact O-N 2.79Å; D394-L397 PolarHBondContact O-N 3.43Å; D394-L397 VanDerWaalsContact O-N 3.08Å
395	A	46.6	Very low	42	Very low	55 Å²	55	124.2 Å²	124.2	46%	0.455	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-64.9	-27.1	174.3	0	0	0	0	0	112.7	K392 L393 L397	K392-A395 PolarHBondContact O-N 3.39Å; L393-A395 PolarHBondContact O-N 3.31Å; A395-L397 VanDerWaalsContact C-N 3.29Å
396	F	40	Very low	40.7	Very low	150 Å²	150	123.3 Å²	123.3	66%	0.658	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-78.9	-9.1	174.5	-79.6	-98	0	0	0	113.4	L393 D394	L393-F396 WeakPolarHBondContact O-CB 3.48Å; L393-F396 PolarHBondContact O-N 2.86Å; D394-F396 PolarHBondContact O-N 2.79Å
397	L	40.4	Very low	39.8	Very low	141 Å²	141	124 Å²	124	74%	0.738	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-97.3	-5.6	-178.1	-63.5	177.4	0	0	0	113.7	D394 A395	D394-L397 PolarHBondContact O-N 3.43Å; D394-L397 VanDerWaalsContact O-N 3.08Å; A395-L397 VanDerWaalsContact C-N 3.29Å
398	Q	36.8	Very low	38.9	Very low	152 Å²	152	126 Å²	126	71%	0.71	69%	0.689	S	S	*	*	S	Bend	trans	-78.3	138.3	170	-66.2	-159.4	3.7	0	0	111.6	V400	Q398-V400 PolarHBondContact O-N 3.33Å; Q398-V400 VanDerWaalsContact O-N 3.1Å
399	P	33.7	Very low	37.5	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	71%	0.714	S	S	*	*			trans	-73.2	105.7	-177.4	29.1	-34.2	0	0	0	111.3	S401	P399-S401 PolarHBondContact O-N 2.81Å
400	V	29.8	Very low	36.3	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	72%	0.715	S	S	*	*			trans	-64.1	108.1	176.6	178.9	0	0	0	0	111	Q398 K402	Q398-V400 PolarHBondContact O-N 3.33Å; Q398-V400 VanDerWaalsContact O-N 3.1Å; V400-K402 PolarHBondContact O-N 2.86Å
401	S	31.3	Very low	34.6	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	73%	0.731	S	S	*	*			trans	-63.6	95.4	167.4	-67.9	0	0	0	0	110.6	P399 V403	P399-S401 PolarHBondContact O-N 2.81Å; S401-V403 PolarHBondContact O-N 3.42Å; S401-V403 VanDerWaalsContact O-N 3.08Å
402	K	28.1	Very low	33.3	Very low	184 Å²	184	132 Å²	132	80%	0.8	74%	0.738	S	S	*	*			trans	-69.4	102.9	175.8	-76.9	-167.4	174	-171.7	0	111.8	V400	V400-K402 PolarHBondContact O-N 2.86Å
403	V	26.8	Very low	31.9	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-70.9	134.1	146.2	-179.6	0	0	0	0	107.3	S401	S401-V403 PolarHBondContact O-N 3.42Å; S401-V403 VanDerWaalsContact O-N 3.08Å
404	L	29.3	Very low	30.7	Very low	149 Å²	149	139 Å²	139	78%	0.78	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-86.8	130.3	174.3	-82.3	87.2	0	0	0	110.7
405	P	28.5	Very low	29.7	Very low	119 Å²	119	141.3 Å²	141.3	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-73.8	150.8	157.1	-11.7	28.9	0	0	0	111.1
406	S	27.2	Very low	28.6	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73	156.9	167.5	41.4	0	0	0	0	111.9
407	P	30.3	Very low	27.7	Very low	117 Å²	117	147 Å²	147	76%	0.76	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.1	148.3	-171.8	31.1	-36.1	0	0	0	113.7
408	P	28.6	Very low	26.9	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.9	161.4	160.6	-15.8	31.2	0	0	0	112.2
409	Q	23.7	Very low	26.2	Very low	191 Å²	191	146 Å²	146	89%	0.893	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.3	145.2	-179.4	-61.7	157.5	-66.3	0	0	111.9
410	E	24.1	Very low	25.7	Very low	182 Å²	182	147 Å²	147	85%	0.85	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93	149.3	151.6	-75.8	-169.4	151.6	0	0	109.6
411	P	24.1	Very low	25.4	Very low	129 Å²	129	148.2 Å²	148.2	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77	137.7	177.2	31.9	-34	0	0	0	111.2
412	V	24.5	Very low	24.9	Very low	140 Å²	140	148 Å²	148	85%	0.848	78%	0.777	S	S	*	*			trans	-113.5	137.2	170.5	-176.6	0	0	0	0	108.4
413	Q	24	Very low	24.7	Very low	186 Å²	186	144.7 Å²	144.7	87%	0.869	77%	0.772	S	S	*	*			trans	-68.6	156.9	176.3	-68.9	-178.9	-98.3	0	0	111.6
414	E	22.1	Very low	24.6	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.874	77%	0.767	S	S	*	*			trans	-59.7	134.4	173.6	-55	176	115.4	0	0	111.8
415	D	23.5	Very low	24.3	Very low	154 Å²	154	144.6 Å²	144.6	82%	0.824	76%	0.76	S	S	*	*				-145.3	172.9	125	-146.6	-19	0	0	0	110
416	R	22.8	Very low	24.1	Very low	209 Å²	209	145 Å²	145	79%	0.789	76%	0.755	S	S	*	*			trans	-106.7	178.8	-151.3	-66.8	176.4	164.5	-177.2	-3.9	115.5
417	T	23	Very low	23.8	Very low	116 Å²	116	148.2 Å²	148.2	71%	0.712	76%	0.758	S	S	*	*			trans	81.7	115.7	150	35.8	0	0	0	0	119.5
418	D	22.9	Very low	23.6	Very low	131 Å²	131	149.2 Å²	149.2	70%	0.701	76%	0.756	S	S	*	*				94	101.6	124.1	-64.4	-4.6	0	0	0	122.5
419	M	22.1	Very low	23.5	Very low	140 Å²	140	148.7 Å²	148.7	69%	0.69	75%	0.753	S	S	*	*				85.6	96	116.5	-67.7	-161.2	74.5	0	0	120.8
420	Q	22.8	Very low	23.5	Very low	142 Å²	142	145.8 Å²	145.8	66%	0.664	74%	0.742	S	S	*	*				81.2	152.3	107.5	-143.7	-171.3	61.4	0	0	118.8
421	K	22.9	Very low	23.7	Very low	151 Å²	151	142.4 Å²	142.4	66%	0.657	74%	0.736	S	S	*	*			trans	78.7	141.4	161.7	-59.7	-173.7	157.6	-86.2	0	116.8
422	D	21.8	Very low	23.7	Very low	109 Å²	109	141.3 Å²	141.3	58%	0.583	73%	0.732	S	S	*	*			cis	-164.5	165.5	-11.3	-107.6	-17.5	0	0	0	108.5
423	V	24.3	Very low	23.6	Very low	115 Å²	115	143.2 Å²	143.2	70%	0.697	73%	0.731	S	S	*	*			trans	54.8	138.6	137.7	165.6	0	0	0	0	119.3
424	E	23.6	Very low	23.7	Very low	154 Å²	154	139.2 Å²	139.2	72%	0.72	73%	0.73	S	S	*	*			cis	-173	175.8	-4	-101.4	179.1	-160.8	0	0	105.4
425	M	23	Very low	23.7	Very low	127 Å²	127	135.1 Å²	135.1	63%	0.626	73%	0.728	S	S	*	*			cis	-176.9	-173.5	-26.6	-164.1	-151.5	-49.8	0	0	106
426	L	24.8	Very low	23.8	Very low	129 Å²	129	132.5 Å²	132.5	68%	0.675	73%	0.728	S	S	*	*			trans	70.3	143	161.5	-54.8	170.6	0	0	0	118.9
427	E	21.9	Very low	24	Very low	174 Å²	174	127.8 Å²	127.8	81%	0.813	73%	0.727	S	S	*	*			cis	-160.2	178.4	-33.7	-133.5	175.6	-173.4	0	0	111.6
428	L	25.1	Very low	24	Very low	138 Å²	138	126.7 Å²	126.7	72%	0.723	72%	0.724	S	S	*	*			trans	-98.4	174.6	-176.4	-59.9	168.3	0	0	0	112.4	I430	L428-I430 HydrophobicContact CB-CD1 4.37Å; L428-I430 HydrophobicContact CB-CG1 4.25Å; L428-I430 HydrophobicContact CD1-CD1 4.16Å; L428-I430 HydrophobicContact CD1-CG1 4.3Å
429	P	26.5	Very low	24	Very low	118 Å²	118	128.7 Å²	128.7	77%	0.766	73%	0.729	S	S	*	*				-142.9	144.4	86.2	34.7	-16.6	0	0	0	114.1
430	I	23.1	Very low	24	Very low	131 Å²	131	129.3 Å²	129.3	67%	0.672	74%	0.735	S	S	*	*				64.4	124.7	60.1	-59.3	176.2	0	0	0	111	L428	L428-I430 HydrophobicContact CB-CD1 4.37Å; L428-I430 HydrophobicContact CB-CG1 4.25Å; L428-I430 HydrophobicContact CD1-CD1 4.16Å; L428-I430 HydrophobicContact CD1-CG1 4.3Å
431	P	29.5	Very low	24.1	Very low	110 Å²	110	128.7 Å²	128.7	71%	0.714	74%	0.736	S	S	*	*			cis	-120.7	159.7	43.9	12.5	13.4	0	0	0	115
432	S	23.1	Very low	24	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	75%	0.745	S	S	*	*				68.3	139.3	57	86.1	0	0	0	0	114.3
433	E	23.3	Very low	24	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	76%	0.757	S	S	*	*			cis	-124.5	155.2	25.5	-65.5	171.9	138.6	0	0	111.7
434	A	24.8	Very low	24	Very low	101 Å²	101	132.9 Å²	132.9	84%	0.835	76%	0.76	S	S	*	*			cis	82.4	142.4	47.7	0	0	0	0	0	114.2
435	A	22.7	Very low	24	Very low	102 Å²	102	131.2 Å²	131.2	84%	0.843	76%	0.76	S	S	*	*			cis	-150.5	178.8	10	0	0	0	0	0	114.3
436	A	26.6	Very low	24.1	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	77%	0.77	S	S	*	*			trans	-92.5	-166.9	174.3	0	0	0	0	0	111.8
437	S	25.7	Very low	23.9	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	77%	0.767	S	S	*	*			cis	-157.1	-169.6	32.8	58.9	0	0	0	0	111
438	S	23.7	Very low	23.9	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	77%	0.768	S	S	*	*			cis	-157.1	138.3	27.2	-51.9	0	0	0	0	115.3
439	Q	22.2	Very low	23.8	Very low	174 Å²	174	126.1 Å²	126.1	81%	0.813	77%	0.767	S	S	*	*				40.8	132.1	124.9	-60.7	-178	-37.3	0	0	124.7
440	N	23.6	Very low	23.7	Very low	152 Å²	152	129.8 Å²	129.8	81%	0.813	77%	0.774	S	S	*	*				172.4	172.9	129.1	-89.7	-19.2	0	0	0	110.7
441	L	23.3	Very low	23.8	Very low	130 Å²	130	128.4 Å²	128.4	68%	0.681	78%	0.782	S	S	*	*				-159.5	128.9	-76.5	-124	170.4	0	0	0	111.1
442	E	21.9	Very low	23.6	Very low	184 Å²	184	127.4 Å²	127.4	86%	0.86	78%	0.784	S	S	*	*			trans	56.5	145.4	158	-83.3	161.9	-162.1	0	0	124.3
443	D	22.3	Very low	23.6	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	78%	0.782	S	S	*	*			trans	-97.1	169.6	173.9	-91.9	-61.1	0	0	0	112.4
444	T	22.8	Very low	23.6	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	78%	0.779	S	S	*	*				149.5	113.3	125.2	-63.7	0	0	0	0	115.4
445	V	24.9	Very low	23.4	Very low	120 Å²	120	129.6 Å²	129.6	73%	0.727	78%	0.779	S	S	*	*			trans	30.7	125.9	132.2	-170.6	0	0	0	0	118
446	Q	23.4	Very low	23.2	Very low	177 Å²	177	129.7 Å²	129.7	83%	0.827	78%	0.78	S	S	*	*			cis	-158.3	-168.5	17.5	-127.5	179.7	102.7	0	0	109.9
447	G	21.9	Very low	23.2	Very low	59 Å²	59	129.5 Å²	129.5	61%	0.608	78%	0.778	S	S	*	*			cis	161.3	172.8	0.1	0	0	0	0	0	114.9
448	V	21.9	Very low	23.4	Very low	138 Å²	138	129.9 Å²	129.9	84%	0.836	78%	0.778	S	S	*	*			trans	74.7	136.3	162.3	-173.7	0	0	0	0	120.6
449	A	23.4	Very low	23.2	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	79%	0.789	S	S	*	*			trans	81.6	97.6	160.2	0	0	0	0	0	123.5
450	E	22.8	Very low	23.1	Very low	194 Å²	194	128.4 Å²	128.4	91%	0.907	79%	0.787	S	S	*	*				47.8	113.9	129.2	-57.5	-165.4	130.6	0	0	125.5
451	A	25.7	Very low	23.5	Very low	102 Å²	102	126.9 Å²	126.9	84%	0.843	79%	0.786	S	S	*	*				83.1	124.2	123.5	0	0	0	0	0	125.1
452	A	26.1	Very low	23.4	Very low	90 Å²	90	126.2 Å²	126.2	74%	0.744	79%	0.792	S	S	*	*			trans	107.3	117.4	131.8	0	0	0	0	0	124
453	Q	22.8	Very low	23.3	Very low	153 Å²	153	124.6 Å²	124.6	72%	0.715	79%	0.789	S	S	*	*			trans	84.1	114.6	137.6	-72.6	-171.1	71.4	0	0	126
454	K	22.4	Very low	24	Very low	179 Å²	179	121.9 Å²	121.9	78%	0.778	78%	0.78	S	S	*	*				83.9	145	122.6	-78	-178	179.3	154.9	0	125.6
455	A	20.8	Very low	23.9	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	79%	0.786	S	S	*	*			trans	73.2	152.6	149.2	0	0	0	0	0	119
456	A	19.7	Very low	23.8	Very low	104 Å²	104	131.4 Å²	131.4	86%	0.86	80%	0.795	S	S	*	*			cis	-163.1	-178.8	-18.7	0	0	0	0	0	109.9
457	A	26.8	Very low	23.9	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	80%	0.799	S	S	*	*			trans	-124	164.4	-171.7	0	0	0	0	0	115.2
458	P	29.3	Very low	23.9	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	81%	0.805	S	S	*	*			trans	-149.9	148.7	150	38.4	-20.8	0	0	0	119.4
459	S	18.6	Very low	23.9	Very low	125 Å²	125	142.2 Å²	142.2	87%	0.874	80%	0.801	S	S	*	*			trans	73	152	141.8	62.3	0	0	0	0	124.5
460	S	21	Very low	23.9	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	80%	0.796	S	S	*	*			trans	-120.1	177.4	178.6	68.7	0	0	0	0	111
461	P	32.3	Very low	23.9	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	79%	0.792	S	S	*	*				-138.9	-166.3	57.9	39	-16.8	0	0	0	113.1
462	S	20.4	Very low	23.8	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	79%	0.786	S	S	*	*			cis	-156.8	-169.8	24.6	65.2	0	0	0	0	114.5
463	N	20.7	Very low	23.8	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	79%	0.79	S	S	*	*			trans	-145.5	-165.7	-164	-141	-2.8	0	0	0	108.9
464	P	36.2	Very low	24	Very low	98 Å²	98	145 Å²	145	64%	0.636	80%	0.797	S	S	*	*			cis	-143.2	176.9	-4.2	42.7	-22.9	0	0	0	118.5
465	R	20.5	Very low	24.2	Very low	235 Å²	235	145.4 Å²	145.4	89%	0.887	80%	0.802	S	S	*	*			trans	144.7	137.5	144	-79.8	159.4	-176.4	-170.4	1.9	109.8
466	K	23.9	Very low	24.5	Very low	208 Å²	208	149 Å²	149	90%	0.904	80%	0.804	S	S	*	*			cis	-139.9	173.5	27.6	-115.1	176.2	-178.8	179	0	113.1
467	R	24.3	Very low	24.8	Very low	240 Å²	240	153 Å²	153	91%	0.906	81%	0.806	S	S	*	*			trans	-82.6	171.2	175.9	-77	176.9	175.1	166.9	-4.3	113
468	H	22.1	Very low	24.9	Very low	158 Å²	158	156.1 Å²	156.1	73%	0.731	81%	0.805	S	S	*	*			cis	175.8	176.4	-27.3	-160.7	-92.6	0	0	0	107.7	E470	H468-E470 IonicContact ND1-OE1 2.62Å
469	R	23	Very low	24.7	Very low	202 Å²	202	157.1 Å²	157.1	76%	0.762	80%	0.804	S	S	*	*			trans	82.3	144.9	169.2	-49.1	-159.4	93.6	158.1	2.6	115.8
470	E	23	Very low	25.2	Very low	131 Å²	131	156.4 Å²	156.4	61%	0.612	79%	0.79	S	S	*	*			cis	-161.3	136.6	-29.8	-122.7	142.4	-118.1	0	0	105.5	H468	H468-E470 IonicContact ND1-OE1 2.62Å
471	D	22.6	Very low	25.6	Very low	154 Å²	154	155.8 Å²	155.8	82%	0.824	79%	0.786	S	S	*	*			trans	-130.7	155.5	176.4	-149	-20.4	0	0	0	108.6
472	S	24.1	Very low	25.7	Very low	102 Å²	102	159.5 Å²	159.5	71%	0.713	78%	0.784	S	S	*	*			trans	-136.3	100.5	-174.9	61.3	0	0	0	0	110.6
473	D	24.9	Very low	26.4	Very low	155 Å²	155	160.5 Å²	160.5	83%	0.829	77%	0.774	S	S	*	*			trans	-57.5	143	-176.4	-57.9	-79.1	0	0	0	113.3
474	V	27.7	Very low	27	Very low	142 Å²	142	161.7 Å²	161.7	86%	0.861	78%	0.775	S	S	*	*			trans	-124.6	122.3	153	-178.9	0	0	0	0	106.3
475	E	26.4	Very low	27.3	Very low	188 Å²	188	159.2 Å²	159.2	88%	0.879	76%	0.755	S	S	*	*			trans	-67.1	136.4	-163.1	-59.7	174.9	131.3	0	0	112.9
476	M	26.4	Very low	28.6	Very low	178 Å²	178	150.9 Å²	150.9	88%	0.877	73%	0.731	S	S	*	*			trans	-85	121.2	170.2	-62	-169.9	-164.4	0	0	110.3	E478	M476-E478 PolarHBondContact O-N 2.97Å
477	M	27.2	Very low	29.9	Very low	187 Å²	187	141.7 Å²	141.7	92%	0.921	69%	0.693	S	S	*	*			trans	-80.6	109.7	159.2	-67.5	-169.5	75.8	0	0	108.9	N479	M477-N479 PolarHBondContact O-N 2.92Å
478	E	28.8	Very low	31	Very low	160 Å²	160	131.4 Å²	131.4	75%	0.748	66%	0.66	S	S	*	*			trans	-67.9	124.9	176	-65.9	-164	102.5	0	0	111.1	M476 K483	M476-E478 PolarHBondContact O-N 2.97Å; E478-K483 IonicContact OE1-NZ 2.74Å
479	N	25.1	Very low	32.1	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	66%	0.661	S	S	*	*			trans	-122.6	87.3	174.7	-147.7	-9.5	0	0	0	107.8	M477 S481	M477-N479 PolarHBondContact O-N 2.92Å; N479-S481 PolarHBondContact O-N 2.83Å
480	D	28.7	Very low	33.4	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	18.2	-154.2	-151.5	32.2	0	0	0	115.4	K483	D480-K483 WeakPolarHBondContact OD1-CD 3.29Å; D480-K483 VanDerWaalsContact OD1-CE 3.23Å; D480-K483 WeakPolarHBondContact OD1-CE 3.42Å; D480-K483 IonicContact OD1-NZ 3.8Å; D480-K483 PolarHBondContact OD1-NZ 2.79Å
481	S	28.8	Very low	34.4	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	0.7	-172.3	53.4	0	0	0	0	114.9	N479	N479-S481 PolarHBondContact O-N 2.83Å
482	R	34	Very low	35.8	Very low	199 Å²	199	128.2 Å²	128.2	75%	0.751	66%	0.661	S	S	*	*	S	Bend	trans	-109.2	10	-178.1	-72.3	-174.1	171.8	-171.8	-4.2	115.2
483	K	35.5	Very low	37.4	Very low	136 Å²	136	129.9 Å²	129.9	59%	0.591	65%	0.652	S	S	*	*	S	Bend	trans	-92.1	-10.9	-171.1	-71	178.1	-176.1	161.1	0	116.2	E478 D480	E478-K483 IonicContact OE1-NZ 2.74Å; D480-K483 WeakPolarHBondContact OD1-CD 3.29Å; D480-K483 VanDerWaalsContact OD1-CE 3.23Å; D480-K483 WeakPolarHBondContact OD1-CE 3.42Å; D480-K483 IonicContact OD1-NZ 3.8Å; D480-K483 PolarHBondContact OD1-NZ 2.79Å
484	E	34.2	Very low	39.6	Very low	175 Å²	175	127.7 Å²	127.7	82%	0.818	63%	0.632	S	S	*	*	S	Bend	trans	-101.9	5.1	-166.6	-64.1	-162.2	133	0	0	117.1
485	M	42.4	Very low	41.5	Very low	46 Å²	46	127.7 Å²	127.7	23%	0.227	63%	0.625	C	S	.	*			trans	-126.9	75.5	-175.7	-73.3	-179.4	56.7	0	0	113.1	Y561	M485-Y561 HydrophobicContact CE-CD2 4.09Å; M485-Y561 HydrophobicContact CE-CE2 3.88Å
486	T	48.2	Very low	43.6	Very low	61 Å²	61	120.5 Å²	120.5	37%	0.374	59%	0.593	S	S	.	*			trans	-144.2	134.9	171	61.6	0	0	0	0	111.1	D562 H722	T486-D562 WeakPolarHBondContact CA-OD2 3.45Å; T486-D562 WeakPolarHBondContact CG2-OD1 3.43Å; T486-H722 VanDerWaalsContact C-CE1 3.44Å; T486-H722 PolarHBondContact O-CE1 2.8Å
487	A	51.3	Low	45.6	Very low	14 Å²	14	118.2 Å²	118.2	12%	0.116	58%	0.584	C	S	.	*			trans	-99.9	-10.8	-166	0	0	0	0	0	116.3	I558 D562 L637 I638	A487-I558 HydrophobicContact CB-CD1 3.89Å; A487-I558 HydrophobicContact CB-CG1 4.23Å; A487-I558 HydrophobicContact CB-CG2 4.38Å; A487-D562 PolarHBondContact N-OD2 2.93Å; A487-D562 VanDerWaalsContact N-OD2 3.11Å; A487-L637 WeakPolarHBondContact CB-O 3.27Å; A487-I638 HydrophobicContact CB-CG1 4.31Å
488	A	46.6	Very low	48.2	Very low	25 Å²	25	111.7 Å²	111.7	21%	0.207	55%	0.553	C	S	.	*	S	Bend	trans	-127.5	150.6	178.6	0	0	0	0	0	111.5	H490	A488-H490 PolarHBondContact O-N 3.26Å
489	C	45.6	Very low	50.6	Low	112 Å²	112	109.4 Å²	109.4	76%	0.757	55%	0.55	S	S	*	.			trans	-93	94.4	-171.8	-162.4	0	0	0	0	112.8
490	H	49.3	Very low	53.5	Low	109 Å²	109	103.6 Å²	103.6	51%	0.505	52%	0.52	S	S	.	.			trans	-120.8	130	176.9	-91.4	4.4	0	0	0	114.1	A488 R492	A488-H490 PolarHBondContact O-N 3.26Å; H490-R492 PolarHBondContact O-N 2.88Å
491	P	44.9	Very low	56.2	Low	128 Å²	128	98.5 Å²	98.5	83%	0.831	49%	0.493	S	S	*	.	S	Bend	trans	-86.2	-0.3	-170.1	35.1	-38.1	0	0	0	115.1
492	R	51.7	Low	58.8	Low	229 Å²	229	96.4 Å²	96.4	86%	0.864	47%	0.474	S	S	*	.	S	Bend	trans	-143.3	107.5	176.2	-72.2	-174.4	174.4	175.7	-2.6	109.6	H490	H490-R492 PolarHBondContact O-N 2.88Å
493	R	58.1	Low	61.3	Low	136 Å²	136	88.4 Å²	88.4	51%	0.513	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-88.6	130.8	179.1	-163.4	-179.1	-169.5	166.9	7.8	110.8	I495 Y561 D562 N565	R493-I495 PolarHBondContact O-N 3.1Å; R493-Y561 PolarHBondContact NH2-O 3.28Å; R493-D562 IonicContact NH2-OD1 3.58Å; R493-D562 PolarHBondContact NH2-OD1 2.92Å; R493-N565 VanDerWaalsContact CA-OD1 3.28Å; R493-N565 WeakPolarHBondContact CA-OD1 3.44Å; R493-N565 VanDerWaalsContact CG-OD1 3.27Å; R493-N565 WeakPolarHBondContact CG-OD1 3.19Å
494	R	70.8	Confident	63.8	Low	110 Å²	110	82 Å²	82	42%	0.415	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-73.7	119.3	164.8	-173.5	177	-177.3	168.3	-3.4	107.8	I496 N565 D619	R494-I496 HydrophobicContact CG-CG1 4.13Å; R494-N565 PolarHBondContact N-OD1 2.84Å; R494-N565 PolarHBondContact O-ND2 2.98Å; R494-D619 IonicContact CZ-OD1 3.94Å; R494-D619 IonicContact CZ-OD2 3.58Å; R494-D619 VanDerWaalsContact CZ-OD2 3.31Å; R494-D619 IonicContact NH1-OD1 2.57Å; R494-D619 PolarHBondContact NH1-OD1 2.93Å; R494-D619 IonicContact NH1-OD2 3.76Å; R494-D619 PolarHBondContact NH1-OD2 3.02Å; R494-D619 IonicContact NH2-OD1 3.89Å; R494-D619 IonicContact NH2-OD2 2.87Å; R494-D619 PolarHBondContact NH2-OD2 3.32Å
495	I	66.6	Low	66.3	Low	141 Å²	141	75.5 Å²	75.5	72%	0.723	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-78.2	125.6	173.1	-59.8	176.1	0	0	0	107.8	R493	R493-I495 PolarHBondContact O-N 3.1Å
496	I	72.4	Confident	68.3	Low	37 Å²	37	79.6 Å²	79.6	19%	0.19	41%	0.409	C	S	.	.			trans	-118.7	110.3	-173	-59.3	175.4	0	0	0	108.6	R494 L498 F563 A564	R494-I496 HydrophobicContact CG-CG1 4.13Å; I496-L498 HydrophobicContact CG2-CB 3.97Å; I496-L498 HydrophobicContact CG2-CD1 3.79Å; I496-L498 HydrophobicContact CG2-CG 3.75Å; I496-F563 HydrophobicContact CD1-CB 4.47Å; I496-F563 HydrophobicContact CD1-CD1 3.82Å; I496-F563 WeakPolarHBondContact CD1-O 3.4Å; I496-F563 HydrophobicContact CG2-CD1 4.34Å; I496-A564 HydrophobicContact CD1-CB 3.65Å
497	N	68.2	Low	70.2	Confident	131 Å²	131	79.4 Å²	79.4	70%	0.701	40%	0.403	S	S	*	.			trans	-103.1	29.5	-179.6	-61.6	-29.6	0	0	0	111.5	T499	N497-T499 PolarHBondContact O-N 2.96Å
498	L	80.3	Confident	71.9	Confident	49 Å²	49	79.1 Å²	79.1	26%	0.257	40%	0.4	S	S	.	.			trans	-71.2	119.7	175.3	-68	173.6	0	0	0	109.2	I496 S500 V501 L502 F563 Y620 F668	I496-L498 HydrophobicContact CG2-CB 3.97Å; I496-L498 HydrophobicContact CG2-CD1 3.79Å; I496-L498 HydrophobicContact CG2-CG 3.75Å; L498-S500 PolarHBondContact O-N 2.97Å; L498-V501 HydrophobicContact CB-CB 4.35Å; L498-V501 HydrophobicContact CB-CG2 4.05Å; L498-V501 HydrophobicContact CD1-CG2 4.24Å; L498-V501 PolarHBondContact O-N 3.32Å; L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.98Å; L498-F563 HydrophobicContact CD1-CE1 4.13Å; L498-Y620 HydrophobicContact CD1-CE1 4.12Å; L498-F668 HydrophobicContact CD1-CE2 4.09Å
499	T	80.9	Confident	73.7	Confident	112 Å²	112	82.2 Å²	82.2	69%	0.687	41%	0.413	S	S	*	.	H	α-helix	trans	-57.5	-33.9	179.2	42.7	0	0	0	0	112.4	N497 S503	N497-T499 PolarHBondContact O-N 2.96Å; T499-S503 WeakPolarHBondContact O-CB 3.09Å; T499-S503 PolarHBondContact O-N 2.35Å
500	S	84.7	Confident	75.6	Confident	17 Å²	17	83.9 Å²	83.9	12%	0.119	41%	0.41	C	S	.	.	H	α-helix	trans	-60.5	-54	177.2	-47.1	0	0	0	0	111.4	L498 S503 L504 E664	L498-S500 PolarHBondContact O-N 2.97Å; S500-S503 PolarHBondContact O-N 2.78Å; S500-S503 PolarHBondContact O-OG 2.91Å; S500-L504 WeakPolarHBondContact O-CG 3.27Å; S500-L504 PolarHBondContact O-N 2.85Å; S500-L504 VanDerWaalsContact O-N 3.1Å; S500-E664 WeakPolarHBondContact CB-OE1 3.17Å; S500-E664 PolarHBondContact OG-OE1 3Å
501	V	85	Confident	77.3	Confident	4 Å²	4	84.7 Å²	84.7	2%	0.024	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-40.8	178.9	-177.7	0	0	0	0	111.3	L498 S503 L504 Q505 F563 F668	L498-V501 HydrophobicContact CB-CB 4.35Å; L498-V501 HydrophobicContact CB-CG2 4.05Å; L498-V501 HydrophobicContact CD1-CG2 4.24Å; L498-V501 PolarHBondContact O-N 3.32Å; V501-S503 PolarHBondContact O-N 2.78Å; V501-L504 PolarHBondContact O-N 2.88Å; V501-Q505 WeakPolarHBondContact O-CG 3.19Å; V501-Q505 PolarHBondContact O-N 3.05Å; V501-F563 HydrophobicContact CG1-CB 4.3Å; V501-F563 HydrophobicContact CG1-CD1 4.44Å; V501-F563 HydrophobicContact CG1-CG 4.33Å; V501-F563 HydrophobicContact CG2-CD1 3.84Å; V501-F563 HydrophobicContact CG2-CE1 3.73Å; V501-F563 HydrophobicContact CG2-CE2 4.43Å; V501-F563 HydrophobicContact CG2-CG 4.25Å; V501-F563 HydrophobicContact CG2-CZ 4.06Å; V501-F668 HydrophobicContact CG2-CD2 3.92Å; V501-F668 HydrophobicContact CG2-CE2 4.28Å
502	L	84.1	Confident	79.2	Confident	53 Å²	53	79.1 Å²	79.1	28%	0.277	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-41.4	175.7	-69.5	171.1	0	0	0	111.8	L498 L504 Q505 E506	L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.98Å; L502-L504 VanDerWaalsContact C-N 3.35Å; L502-L504 PolarHBondContact O-N 2.8Å; L502-Q505 PolarHBondContact O-N 2.82Å; L502-E506 WeakPolarHBondContact O-CG 3.42Å; L502-E506 PolarHBondContact O-N 3.31Å
503	S	87.1	Confident	80.8	Confident	31 Å²	31	70.8 Å²	70.8	22%	0.217	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-36.4	175.9	78.3	0	0	0	0	112.7	T499 S500 V501 E506 E507 K665	T499-S503 WeakPolarHBondContact O-CB 3.09Å; T499-S503 PolarHBondContact O-N 2.35Å; S500-S503 PolarHBondContact O-N 2.78Å; S500-S503 PolarHBondContact O-OG 2.91Å; V501-S503 PolarHBondContact O-N 2.78Å; S503-E506 PolarHBondContact O-N 3.27Å; S503-E507 WeakPolarHBondContact O-CG 3.49Å; S503-E507 PolarHBondContact O-N 3.47Å; S503-K665 WeakPolarHBondContact OG-CE 3.08Å; S503-K665 PolarHBondContact OG-NZ 3.15Å
504	L	86.9	Confident	81.9	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-38.1	174.9	-68.2	170.9	0	0	0	111.6	S500 V501 L502 E507 I508 I560 K665 F668 E669	S500-L504 WeakPolarHBondContact O-CG 3.27Å; S500-L504 PolarHBondContact O-N 2.85Å; S500-L504 VanDerWaalsContact O-N 3.1Å; V501-L504 PolarHBondContact O-N 2.88Å; L502-L504 VanDerWaalsContact C-N 3.35Å; L502-L504 PolarHBondContact O-N 2.8Å; L504-E507 PolarHBondContact O-N 2.86Å; L504-I508 WeakPolarHBondContact O-CD1 3.48Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 2.82Å; L504-I560 HydrophobicContact CB-CD1 4.5Å; L504-I560 HydrophobicContact CB-CG2 3.99Å; L504-I560 HydrophobicContact CD1-CD1 3.98Å; L504-K665 HydrophobicContact CD1-CG 4.31Å; L504-K665 HydrophobicContact CD2-CG 4.24Å; L504-K665 HydrophobicContact CG-CG 4.22Å; L504-F668 HydrophobicContact CD1-CB 4.38Å; L504-E669 HydrophobicContact CD1-CB 4.13Å; L504-E669 HydrophobicContact CD2-CB 4Å; L504-E669 HydrophobicContact CD2-CG 4.23Å; L504-E669 WeakPolarHBondContact CD2-OE2 3.3Å
505	Q	86.4	Confident	82.4	Confident	39 Å²	39	69.1 Å²	69.1	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-39.5	172.2	-70.8	178.2	9.5	0	0	112.1	V501 L502 N509 I560 Y561	V501-Q505 WeakPolarHBondContact O-CG 3.19Å; V501-Q505 PolarHBondContact O-N 3.05Å; L502-Q505 PolarHBondContact O-N 2.82Å; Q505-N509 VanDerWaalsContact O-CG 3.32Å; Q505-N509 PolarHBondContact O-N 3.36Å; Q505-N509 VanDerWaalsContact O-N 3.12Å; Q505-N509 PolarHBondContact O-ND2 3.34Å; Q505-I560 HydrophobicContact CG-CG2 3.66Å; Q505-I560 PolarHBondContact NE2-O 2.93Å; Q505-Y561 HydrophobicContact CB-CE1 4.05Å; Q505-Y561 HydrophobicContact CG-CD1 3.81Å; Q505-Y561 HydrophobicContact CG-CE1 3.82Å
506	E	86	Confident	83.2	Confident	131 Å²	131	63.1 Å²	63.1	61%	0.612	32%	0.323	S	S	*	.	H	α-helix	trans	-64.6	-45.3	175.1	-73.8	175.2	170.9	0	0	111.5	L502 S503 I508 N509 E510	L502-E506 WeakPolarHBondContact O-CG 3.42Å; L502-E506 PolarHBondContact O-N 3.31Å; S503-E506 PolarHBondContact O-N 3.27Å; E506-I508 PolarHBondContact O-N 2.85Å; E506-N509 WeakPolarHBondContact O-CB 3.46Å; E506-N509 PolarHBondContact O-N 2.75Å; E506-N509 VanDerWaalsContact O-N 3.15Å; E506-E510 PolarHBondContact O-N 2.68Å
507	E	86.6	Confident	83.8	Confident	57 Å²	57	63.7 Å²	63.7	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-38.4	175.9	-74.9	-171.5	-122	0	0	113.6	S503 L504 N509 E510 R511 K665	S503-E507 WeakPolarHBondContact O-CG 3.49Å; S503-E507 PolarHBondContact O-N 3.47Å; L504-E507 PolarHBondContact O-N 2.86Å; E507-N509 VanDerWaalsContact C-N 3.34Å; E507-E510 PolarHBondContact O-N 3.33Å; E507-R511 WeakPolarHBondContact O-CB 3.11Å; E507-R511 WeakPolarHBondContact O-CD 3.31Å; E507-R511 WeakPolarHBondContact O-CG 3.34Å; E507-R511 PolarHBondContact O-N 2.83Å; E507-R511 IonicContact OE2-CZ 3.85Å; E507-R511 IonicContact OE2-NE 2.86Å; E507-R511 IonicContact OE2-NH2 3.71Å; E507-R511 PolarHBondContact OE2-NH2 3.04Å; E507-K665 IonicContact OE1-NZ 3.64Å; E507-K665 PolarHBondContact OE1-NZ 2.89Å
508	I	87	Confident	84.5	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-44.7	173.4	-71	163.7	0	0	0	110.3	L504 E506 R511 G512 Y556 Q557 I560 Y561 L724	L504-I508 WeakPolarHBondContact O-CD1 3.48Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 2.82Å; E506-I508 PolarHBondContact O-N 2.85Å; I508-R511 PolarHBondContact O-N 3.02Å; I508-G512 PolarHBondContact O-N 2.87Å; I508-G512 VanDerWaalsContact O-N 3.14Å; I508-Y556 HydrophobicContact CD1-CD1 4.4Å; I508-Y556 HydrophobicContact CD1-CE1 3.78Å; I508-Y556 HydrophobicContact CG1-CE1 4.03Å; I508-Q557 HydrophobicContact CD1-CG 4.41Å; I508-Q557 HydrophobicContact CG2-CG 4Å; I508-I560 HydrophobicContact CD1-CB 3.9Å; I508-I560 HydrophobicContact CD1-CG1 4.21Å; I508-I560 HydrophobicContact CD1-CG2 3.67Å; I508-Y561 HydrophobicContact CG2-CE2 4.1Å; I508-Y561 WeakPolarHBondContact CG2-OH 3.42Å; I508-L724 HydrophobicContact CG2-CD2 4.25Å
509	N	85.6	Confident	84.8	Confident	89 Å²	89	60 Å²	60	48%	0.476	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.7	-71.9	-50.8	0	0	0	112	Q505 E506 E507 R511 G512 Y561	Q505-N509 VanDerWaalsContact O-CG 3.32Å; Q505-N509 PolarHBondContact O-N 3.36Å; Q505-N509 VanDerWaalsContact O-N 3.12Å; Q505-N509 PolarHBondContact O-ND2 3.34Å; E506-N509 WeakPolarHBondContact O-CB 3.46Å; E506-N509 PolarHBondContact O-N 2.75Å; E506-N509 VanDerWaalsContact O-N 3.15Å; E507-N509 VanDerWaalsContact C-N 3.34Å; N509-R511 PolarHBondContact O-N 3.48Å; N509-G512 PolarHBondContact O-N 2.68Å; N509-Y561 PolarHBondContact OD1-OH 3.4Å
510	E	85.6	Confident	85	Confident	148 Å²	148	54.7 Å²	54.7	69%	0.692	27%	0.268	S	S	*	.	H	α-helix	trans	-65.9	-35.2	177.7	-71.9	-164.1	157	0	0	113.1	E506 E507 G512 K727	E506-E510 PolarHBondContact O-N 2.68Å; E507-E510 PolarHBondContact O-N 3.33Å; E510-G512 VanDerWaalsContact C-N 3.35Å; E510-K727 PolarHBondContact O-NZ 3.43Å
511	R	84.9	Confident	85.1	Confident	126 Å²	126	59 Å²	59	48%	0.475	28%	0.282	S	S	.	.	H	α-helix	trans	-76.7	-19.6	179.3	-67.8	167.5	-168.8	-154.3	10	113.2	E507 I508 N509 P726 K727	E507-R511 WeakPolarHBondContact O-CB 3.11Å; E507-R511 WeakPolarHBondContact O-CD 3.31Å; E507-R511 WeakPolarHBondContact O-CG 3.34Å; E507-R511 PolarHBondContact O-N 2.83Å; E507-R511 IonicContact OE2-CZ 3.85Å; E507-R511 IonicContact OE2-NE 2.86Å; E507-R511 IonicContact OE2-NH2 3.71Å; E507-R511 PolarHBondContact OE2-NH2 3.04Å; I508-R511 PolarHBondContact O-N 3.02Å; N509-R511 PolarHBondContact O-N 3.48Å; R511-P726 WeakPolarHBondContact O-CA 3.48Å; R511-K727 WeakPolarHBondContact O-CG 2.86Å; R511-K727 PolarHBondContact O-N 3.04Å
512	G	83.8	Confident	85.1	Confident	10 Å²	10	62.3 Å²	62.3	10%	0.103	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-66.7	151.1	-174.7	0	0	0	0	0	116.2	I508 N509 E510 K727	I508-G512 PolarHBondContact O-N 2.87Å; I508-G512 VanDerWaalsContact O-N 3.14Å; N509-G512 PolarHBondContact O-N 2.68Å; E510-G512 VanDerWaalsContact C-N 3.35Å; G512-K727 VanDerWaalsContact O-CE 3.23Å; G512-K727 WeakPolarHBondContact O-CE 3.47Å
513	H	85.5	Confident	85.3	Confident	54 Å²	54	59.8 Å²	59.8	25%	0.25	29%	0.286	C	S	.	.			trans	-119.6	102.2	179.1	-169.2	-32.9	0	0	0	112	T515 L516 R517 P725 K727	H513-T515 PolarHBondContact CE1-OG1 2.74Å; H513-T515 PolarHBondContact ND1-N 2.71Å; H513-T515 PolarHBondContact O-N 3.05Å; H513-L516 HydrophobicContact CB-CB 4.29Å; H513-L516 HydrophobicContact CB-CD1 4.47Å; H513-L516 HydrophobicContact CB-CG 4.45Å; H513-L516 PolarHBondContact O-N 3.31Å; H513-R517 PolarHBondContact O-N 3.33Å; H513-P725 PolarHBondContact N-O 2.94Å; H513-K727 HydrophobicContact CB-CG 4.02Å
514	E	81.4	Confident	85.2	Confident	115 Å²	115	60.9 Å²	60.9	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-39.1	-173.5	-66.6	-66.4	176.3	0	0	114.6	L516 R517 E518	E514-L516 VanDerWaalsContact C-N 3.35Å; E514-L516 PolarHBondContact O-N 2.75Å; E514-R517 VanDerWaalsContact CD-NH1 3.27Å; E514-R517 WeakPolarHBondContact O-CB 3.13Å; E514-R517 PolarHBondContact O-N 3.37Å; E514-R517 VanDerWaalsContact O-N 3.14Å; E514-R517 IonicContact OE1-NH1 2.79Å; E514-R517 PolarHBondContact OE1-NH1 2.75Å; E514-R517 WeakPolarHBondContact OE2-CD 3.39Å; E514-R517 IonicContact OE2-CZ 3.43Å; E514-R517 IonicContact OE2-NE 2.68Å; E514-R517 IonicContact OE2-NH1 2.68Å; E514-R517 PolarHBondContact OE2-NH1 2.88Å; E514-E518 PolarHBondContact O-N 2.98Å
515	T	82.4	Confident	85.2	Confident	97 Å²	97	62.3 Å²	62.3	60%	0.595	30%	0.299	S	S	*	.	H	α-helix	trans	-65.4	-33.8	176.7	-37.4	0	0	0	0	113.5	H513 M519	H513-T515 PolarHBondContact CE1-OG1 2.74Å; H513-T515 PolarHBondContact ND1-N 2.71Å; H513-T515 PolarHBondContact O-N 3.05Å; T515-M519 WeakPolarHBondContact O-CB 3.2Å; T515-M519 PolarHBondContact O-N 2.81Å
516	L	82.6	Confident	85.3	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-72.4	-36.8	171.2	-76.4	-170.4	0	0	0	111.1	H513 E514 M519 L520 P725 F729 T730 V735	H513-L516 HydrophobicContact CB-CB 4.29Å; H513-L516 HydrophobicContact CB-CD1 4.47Å; H513-L516 HydrophobicContact CB-CG 4.45Å; H513-L516 PolarHBondContact O-N 3.31Å; E514-L516 VanDerWaalsContact C-N 3.35Å; E514-L516 PolarHBondContact O-N 2.75Å; L516-M519 HydrophobicContact CD2-CE 4.07Å; L516-M519 WeakPolarHBondContact O-CB 3.42Å; L516-M519 PolarHBondContact O-N 3.07Å; L516-L520 WeakPolarHBondContact O-CB 3.36Å; L516-L520 WeakPolarHBondContact O-CG 3.14Å; L516-L520 PolarHBondContact O-N 3.02Å; L516-P725 HydrophobicContact CB-CB 4.01Å; L516-P725 HydrophobicContact CB-CG 3.39Å; L516-P725 HydrophobicContact CD1-CB 4.19Å; L516-P725 HydrophobicContact CD1-CG 4.46Å; L516-F729 HydrophobicContact CD1-CB 4.23Å; L516-T730 HydrophobicContact CD1-CG2 3.65Å; L516-T730 HydrophobicContact CD2-CG2 4.14Å; L516-T730 HydrophobicContact CG-CG2 3.92Å; L516-V735 HydrophobicContact CD2-CG1 3.91Å
517	R	84.1	Confident	85.2	Confident	49 Å²	49	58.9 Å²	58.9	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-44.4	175	-167.3	-161.2	-165.8	172.8	7.2	111.7	H513 E514 L520 R521 L724 P725	H513-R517 PolarHBondContact O-N 3.33Å; E514-R517 VanDerWaalsContact CD-NH1 3.27Å; E514-R517 WeakPolarHBondContact O-CB 3.13Å; E514-R517 PolarHBondContact O-N 3.37Å; E514-R517 VanDerWaalsContact O-N 3.14Å; E514-R517 IonicContact OE1-NH1 2.79Å; E514-R517 PolarHBondContact OE1-NH1 2.75Å; E514-R517 WeakPolarHBondContact OE2-CD 3.39Å; E514-R517 IonicContact OE2-CZ 3.43Å; E514-R517 IonicContact OE2-NE 2.68Å; E514-R517 IonicContact OE2-NH1 2.68Å; E514-R517 PolarHBondContact OE2-NH1 2.88Å; R517-L520 PolarHBondContact O-N 3.17Å; R517-R521 VanDerWaalsContact O-CB 3.24Å; R517-R521 WeakPolarHBondContact O-CB 3.34Å; R517-R521 PolarHBondContact O-N 3.36Å; R517-L724 HydrophobicContact CB-CD1 4.3Å; R517-L724 HydrophobicContact CG-CD1 4.05Å; R517-P725 HydrophobicContact CB-CG 4.33Å
518	E	83.7	Confident	85.1	Confident	99 Å²	99	58 Å²	58	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	-171.4	-171.3	174.7	0	0	111.1	E514 L520 R521 N522	E514-E518 PolarHBondContact O-N 2.98Å; E518-L520 PolarHBondContact O-N 3.42Å; E518-R521 PolarHBondContact O-N 3.03Å; E518-N522 WeakPolarHBondContact O-CB 3.33Å; E518-N522 PolarHBondContact O-N 3.46Å
519	M	86.1	Confident	84.9	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.02	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-47.3	176.4	-174.5	-78.4	-68.1	0	0	111.6	T515 L516 H523 H538 Y543 L545 V735	T515-M519 WeakPolarHBondContact O-CB 3.2Å; T515-M519 PolarHBondContact O-N 2.81Å; L516-M519 HydrophobicContact CD2-CE 4.07Å; L516-M519 WeakPolarHBondContact O-CB 3.42Å; L516-M519 PolarHBondContact O-N 3.07Å; M519-H523 WeakPolarHBondContact O-CB 3.49Å; M519-H523 PolarHBondContact O-N 2.71Å; M519-H538 HydrophobicContact CG-CB 3.74Å; M519-H538 HydrophobicContact SD-CB 4.37Å; M519-Y543 HydrophobicContact CE-CD1 4.48Å; M519-Y543 HydrophobicContact CG-CD2 4.23Å; M519-Y543 HydrophobicContact CG-CE2 3.82Å; M519-Y543 HydrophobicContact SD-CD2 4.04Å; M519-Y543 HydrophobicContact SD-CE2 4.25Å; M519-Y543 HydrophobicContact SD-CG 4.25Å; M519-L545 HydrophobicContact CE-CD2 4.15Å; M519-V735 HydrophobicContact CE-CG1 3.81Å
520	L	85.2	Confident	84.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-73.4	-26.4	178	-67.9	179	0	0	0	113.4	L516 R517 E518 H523 L545 L550 L723 P725	L516-L520 WeakPolarHBondContact O-CB 3.36Å; L516-L520 WeakPolarHBondContact O-CG 3.14Å; L516-L520 PolarHBondContact O-N 3.02Å; R517-L520 PolarHBondContact O-N 3.17Å; E518-L520 PolarHBondContact O-N 3.42Å; L520-H523 PolarHBondContact O-ND1 3.26Å; L520-L545 HydrophobicContact CD2-CD1 3.93Å; L520-L545 HydrophobicContact CD2-CD2 4.43Å; L520-L550 HydrophobicContact CD1-CD2 4.11Å; L520-L723 HydrophobicContact CD1-CD2 3.85Å; L520-L723 HydrophobicContact CD1-CG 4.39Å; L520-P725 HydrophobicContact CD1-CB 4.02Å; L520-P725 HydrophobicContact CD1-CG 3.91Å
521	R	86.3	Confident	84.4	Confident	108 Å²	108	53.3 Å²	53.3	41%	0.408	28%	0.277	S	S	.	.	H	α-helix	trans	-68.6	-44	171.7	-178.6	168.9	-72	172.5	-5.8	112.2	R517 E518 R720	R517-R521 VanDerWaalsContact O-CB 3.24Å; R517-R521 WeakPolarHBondContact O-CB 3.34Å; R517-R521 PolarHBondContact O-N 3.36Å; E518-R521 PolarHBondContact O-N 3.03Å; R521-R720 WeakPolarHBondContact O-CG 3.32Å
522	N	86.1	Confident	84.4	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-101.1	9	-171.6	-64.5	-30.3	0	0	0	114	E518	E518-N522 WeakPolarHBondContact O-CB 3.33Å; E518-N522 PolarHBondContact O-N 3.46Å
523	H	87.4	Confident	84.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.9	143.4	-178.2	80.3	-90.2	0	0	0	112.7	M519 L520 A536 Q537 Y716 R720	M519-H523 WeakPolarHBondContact O-CB 3.49Å; M519-H523 PolarHBondContact O-N 2.71Å; L520-H523 PolarHBondContact O-ND1 3.26Å; H523-A536 HydrophobicContact CB-CB 4.1Å; H523-Q537 CarbonylContact C-O 3.58Å; H523-Q537 WeakPolarHBondContact CA-O 3.39Å; H523-Y716 AromaticContact CE1-CD1 3.98Å; H523-Y716 PolarHBondContact CE1-O 2.79Å; H523-Y716 VanDerWaalsContact CE1-O 3.23Å; H523-Y716 AromaticContact NE2-CD1 3.61Å; H523-R720 PolarHBondContact O-NE 2.85Å; H523-R720 PolarHBondContact O-NH2 3.26Å
524	S	85.3	Confident	84.8	Confident	53 Å²	53	51 Å²	51	37%	0.371	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.6	159.8	-168.7	0	0	0	0	109.2	A536 Q537	S524-A536 CarbonylContact O-C 3.57Å; S524-A536 WeakPolarHBondContact O-CA 3.23Å; S524-Q537 PolarHBondContact N-O 2.99Å; S524-Q537 PolarHBondContact O-N 2.86Å
525	F	88.4	Confident	85.1	Confident	32 Å²	32	47.4 Å²	47.4	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133	179.5	-178.5	-95	0	0	0	110.1	A534 E712 Y716	F525-A534 HydrophobicContact CE2-CB 4.03Å; F525-E712 HydrophobicContact CD1-CB 4.02Å; F525-E712 HydrophobicContact CD1-CG 3.46Å; F525-E712 VanDerWaalsContact CD1-CG 3.46Å; F525-E712 HydrophobicContact CE1-CB 3.63Å; F525-E712 HydrophobicContact CE1-CG 3.58Å; F525-E712 HydrophobicContact CG-CG 4.06Å; F525-E712 HydrophobicContact CZ-CB 3.9Å; F525-E712 HydrophobicContact CZ-CG 4.28Å; F525-Y716 AromaticContact CD2-CD1 3.76Å; F525-Y716 HydrophobicContact CD2-CD1 3.76Å; F525-Y716 HydrophobicContact CD2-CD2 4.03Å; F525-Y716 HydrophobicContact CD2-CE1 4.29Å; F525-Y716 AromaticContact CD2-CG 3.63Å; F525-Y716 HydrophobicContact CD2-CG 3.63Å; F525-Y716 HydrophobicContact CE2-CD1 4.21Å; F525-Y716 AromaticContact CE2-CD2 3.72Å; F525-Y716 HydrophobicContact CE2-CD2 3.72Å; F525-Y716 HydrophobicContact CE2-CE1 4.48Å; F525-Y716 HydrophobicContact CE2-CE2 4.01Å; F525-Y716 AromaticContact CE2-CG 3.84Å; F525-Y716 HydrophobicContact CE2-CG 3.84Å
526	V	86.4	Confident	85.4	Confident	78 Å²	78	42.8 Å²	42.8	47%	0.473	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-35.8	-174.8	-177.5	0	0	0	0	111.9	L535 Q537 L542	V526-L535 HydrophobicContact CB-CB 3.97Å; V526-L535 WeakPolarHBondContact CB-O 3.47Å; V526-L535 HydrophobicContact CG1-CB 4.37Å; V526-L535 PolarHBondContact N-O 3.17Å; V526-Q537 HydrophobicContact CG2-CB 3.87Å; V526-L542 HydrophobicContact CG2-CD1 4.1Å
527	G	84.5	Confident	85.5	Confident	21 Å²	21	44.9 Å²	44.9	22%	0.216	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	157.1	175.4	0	0	0	0	0	114.3	A534 L535	G527-A534 WeakPolarHBondContact O-CA 3.38Å; G527-L535 PolarHBondContact N-O 2.75Å; G527-L535 PolarHBondContact O-N 3.18Å
528	C	84.3	Confident	85.6	Confident	38 Å²	38	43.4 Å²	43.4	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.8	170.5	-60.8	0	0	0	0	110.6	W707	C528-W707 HydrophobicContact CB-CH2 3.91Å; C528-W707 HydrophobicContact CB-CZ3 3.87Å
529	V	83.2	Confident	85.7	Confident	90 Å²	90	43.8 Å²	43.8	55%	0.545	23%	0.228	S	C	.	.	S	Bend	trans	-87.8	-44.9	168.2	-175.3	0	0	0	0	109.5	W533 L535 L544	V529-W533 WeakPolarHBondContact CA-O 3.1Å; V529-W533 HydrophobicContact CB-CB 4.46Å; V529-W533 WeakPolarHBondContact CB-O 3.47Å; V529-W533 PolarHBondContact N-O 3.29Å; V529-L535 HydrophobicContact CG2-CD1 4.06Å; V529-L535 HydrophobicContact CG2-CG 3.83Å; V529-L544 HydrophobicContact CG2-CD1 4.09Å
530	N	81.4	Confident	85.5	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-155.4	-177.9	170.5	66.5	33.7	0	0	0	108.5	Q532 W533	N530-Q532 PolarHBondContact O-N 3.42Å; N530-Q532 WeakPolarHBondContact OD1-CA 3.43Å; N530-Q532 WeakPolarHBondContact OD1-CB 3.3Å; N530-Q532 PolarHBondContact OD1-N 3.48Å; N530-W533 PolarHBondContact N-O 2.89Å; N530-W533 VanDerWaalsContact N-O 3.1Å; N530-W533 PolarHBondContact O-N 3.12Å; N530-W533 PolarHBondContact OD1-N 2.78Å
531	P	79.1	Confident	85.5	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.013	25%	0.252	C	S	.	.	S	Bend	trans	-62.2	-26.2	-178.9	-26.3	36	0	0	0	115.3	K683 I686 W707	P531-K683 HydrophobicContact CB-CB 4.5Å; P531-K683 HydrophobicContact CG-CG 4.39Å; P531-I686 HydrophobicContact CB-CB 4.34Å; P531-I686 HydrophobicContact CB-CD1 3.82Å; P531-I686 HydrophobicContact CB-CG2 4.21Å; P531-I686 HydrophobicContact CG-CB 4.29Å; P531-I686 HydrophobicContact CG-CG2 3.83Å; P531-W707 HydrophobicContact CB-CH2 4.4Å; P531-W707 HydrophobicContact CB-CZ3 4.27Å; P531-W707 HydrophobicContact CG-CD2 4.5Å; P531-W707 HydrophobicContact CG-CE3 4.48Å; P531-W707 HydrophobicContact CG-CH2 3.87Å; P531-W707 HydrophobicContact CG-CZ2 3.84Å; P531-W707 HydrophobicContact CG-CZ3 4.19Å
532	Q	85.4	Confident	85.5	Confident	70 Å²	70	45.8 Å²	45.8	33%	0.327	25%	0.245	S	C	.	.	S	Bend	trans	-86.7	-26.3	179	-70.1	166.5	-42.7	0	0	113	N530 N546 T547 T548 K683	N530-Q532 PolarHBondContact O-N 3.42Å; N530-Q532 WeakPolarHBondContact OD1-CA 3.43Å; N530-Q532 WeakPolarHBondContact OD1-CB 3.3Å; N530-Q532 PolarHBondContact OD1-N 3.48Å; Q532-N546 CarbonylContact O-C 3.39Å; Q532-N546 WeakPolarHBondContact O-CA 3.36Å; Q532-N546 PolarHBondContact O-OD1 2.71Å; Q532-T547 PolarHBondContact O-N 2.89Å; Q532-T548 WeakPolarHBondContact CG-OG1 3.22Å; Q532-K683 HydrophobicContact CG-CB 4.11Å
533	W	87.6	Confident	85.6	Confident	73 Å²	73	43.7 Å²	43.7	28%	0.277	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128	-168.4	-65.1	95.2	0	0	0	112.7	V529 N530 L544 L545 N546	V529-W533 WeakPolarHBondContact CA-O 3.1Å; V529-W533 HydrophobicContact CB-CB 4.46Å; V529-W533 WeakPolarHBondContact CB-O 3.47Å; V529-W533 PolarHBondContact N-O 3.29Å; N530-W533 PolarHBondContact N-O 2.89Å; N530-W533 VanDerWaalsContact N-O 3.1Å; N530-W533 PolarHBondContact O-N 3.12Å; N530-W533 PolarHBondContact OD1-N 2.78Å; W533-L544 HydrophobicContact CB-CD1 4.16Å; W533-L544 HydrophobicContact CE3-CD1 4.27Å; W533-L544 HydrophobicContact CE3-CD2 4.07Å; W533-L544 HydrophobicContact CE3-CG 3.71Å; W533-L544 HydrophobicContact CZ3-CD2 4.35Å; W533-L544 HydrophobicContact CZ3-CG 4.19Å; W533-L545 WeakPolarHBondContact CA-O 3.38Å; W533-N546 HydrophobicContact CE3-CB 4.07Å; W533-N546 HydrophobicContact CH2-CB 3.98Å; W533-N546 HydrophobicContact CZ2-CB 4.43Å; W533-N546 HydrophobicContact CZ3-CB 3.78Å
534	A	89.5	Confident	85.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	163.2	173.4	0	0	0	0	0	112.4	F525 G527 L545 Y716	F525-A534 HydrophobicContact CE2-CB 4.03Å; G527-A534 WeakPolarHBondContact O-CA 3.38Å; A534-L545 PolarHBondContact N-O 2.74Å; A534-L545 PolarHBondContact O-N 3.05Å; A534-Y716 HydrophobicContact CB-CE2 3.99Å
535	L	89.3	Confident	85.9	Confident	39 Å²	39	42.7 Å²	42.7	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.1	-179.9	-68.7	171.1	0	0	0	110.6	V526 G527 V529 L542 Y543 L544 L738	V526-L535 HydrophobicContact CB-CB 3.97Å; V526-L535 WeakPolarHBondContact CB-O 3.47Å; V526-L535 HydrophobicContact CG1-CB 4.37Å; V526-L535 PolarHBondContact N-O 3.17Å; G527-L535 PolarHBondContact N-O 2.75Å; G527-L535 PolarHBondContact O-N 3.18Å; V529-L535 HydrophobicContact CG2-CD1 4.06Å; V529-L535 HydrophobicContact CG2-CG 3.83Å; L535-L542 HydrophobicContact CB-CD1 4.45Å; L535-L542 HydrophobicContact CD2-CG 4.46Å; L535-Y543 WeakPolarHBondContact CA-O 3.34Å; L535-L544 HydrophobicContact CD2-CB 4.23Å; L535-L544 HydrophobicContact CD2-CD1 3.81Å; L535-L544 HydrophobicContact CG-CD1 4.42Å; L535-L738 HydrophobicContact CD2-CD1 3.58Å
536	A	88.4	Confident	85.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.3	172.1	0	0	0	0	0	110.6	H523 S524 Y543 L545	H523-A536 HydrophobicContact CB-CB 4.1Å; S524-A536 CarbonylContact O-C 3.57Å; S524-A536 WeakPolarHBondContact O-CA 3.23Å; A536-Y543 PolarHBondContact N-O 3.4Å; A536-Y543 PolarHBondContact O-N 2.89Å; A536-L545 HydrophobicContact CB-CD1 3.58Å
537	Q	84.9	Confident	86	Confident	58 Å²	58	38.5 Å²	38.5	27%	0.271	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.6	174.9	-178.2	-176	-18.7	0	0	109.4	H523 S524 V526 Q539 K541 L542	H523-Q537 CarbonylContact C-O 3.58Å; H523-Q537 WeakPolarHBondContact CA-O 3.39Å; S524-Q537 PolarHBondContact N-O 2.99Å; S524-Q537 PolarHBondContact O-N 2.86Å; V526-Q537 HydrophobicContact CG2-CB 3.87Å; Q537-Q539 PolarHBondContact NE2-O 3.14Å; Q537-K541 WeakPolarHBondContact CA-O 3.31Å; Q537-K541 WeakPolarHBondContact CG-O 3.47Å; Q537-L542 HydrophobicContact CB-CD1 4.45Å
538	H	85.6	Confident	86.2	Confident	18 Å²	18	38.2 Å²	38.2	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.8	166	177.9	-117	0	0	0	108.7	M519 T540 K541 Y543	M519-H538 HydrophobicContact CG-CB 3.74Å; M519-H538 HydrophobicContact SD-CB 4.37Å; H538-T540 PolarHBondContact O-N 3.01Å; H538-K541 PolarHBondContact N-O 2.82Å; H538-K541 PolarHBondContact O-N 2.71Å; H538-Y543 HydrophobicContact CB-CD2 4.46Å; H538-Y543 HydrophobicContact CB-CE2 4.1Å
539	Q	85.8	Confident	86.5	Confident	106 Å²	106	40.1 Å²	40.1	50%	0.495	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-123.9	-173.5	-55.5	171.6	4	0	0	111	Q537 K541	Q537-Q539 PolarHBondContact NE2-O 3.14Å; Q539-K541 VanDerWaalsContact C-N 3.34Å
540	T	81.8	Confident	86.7	Confident	40 Å²	40	35.8 Å²	35.8	25%	0.245	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.9	178.4	59.6	0	0	0	0	114.7	H538 N740 L741	H538-T540 PolarHBondContact O-N 3.01Å; T540-N740 PolarHBondContact OG1-OD1 3.03Å; T540-N740 VanDerWaalsContact OG1-OD1 3.1Å; T540-L741 WeakPolarHBondContact O-CB 3.49Å; T540-L741 PolarHBondContact O-N 2.55Å
541	K	83.9	Confident	87.2	Confident	65 Å²	65	33.2 Å²	33.2	28%	0.283	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.1	-170.6	-67.2	177.4	171.4	-156.8	0	111.8	Q537 H538 Q539 Y543 Q737 A739 N740	Q537-K541 WeakPolarHBondContact CA-O 3.31Å; Q537-K541 WeakPolarHBondContact CG-O 3.47Å; H538-K541 PolarHBondContact N-O 2.82Å; H538-K541 PolarHBondContact O-N 2.71Å; Q539-K541 VanDerWaalsContact C-N 3.34Å; K541-Y543 HydrophobicContact CB-CD2 4.25Å; K541-Y543 HydrophobicContact CB-CE2 3.51Å; K541-Y543 HydrophobicContact CD-CE2 4.27Å; K541-Y543 VanDerWaalsContact CD-OH 3.29Å; K541-Y543 WeakPolarHBondContact CD-OH 3.41Å; K541-Q737 HydrophobicContact CB-CG 4.44Å; K541-Q737 HydrophobicContact CD-CG 4.42Å; K541-Q737 VanDerWaalsContact CD-OE1 3.25Å; K541-A739 WeakPolarHBondContact CA-O 3.34Å; K541-N740 HydrophobicContact CG-CB 4.31Å; K541-N740 VanDerWaalsContact CG-OD1 3.3Å; K541-N740 WeakPolarHBondContact CG-OD1 3.46Å
542	L	87.2	Confident	87.7	Confident	51 Å²	51	34.9 Å²	34.9	27%	0.267	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129	172.6	-175.6	67.7	0	0	0	109.5	V526 L535 Q537 Q737 L738 A739	V526-L542 HydrophobicContact CG2-CD1 4.1Å; L535-L542 HydrophobicContact CB-CD1 4.45Å; L535-L542 HydrophobicContact CD2-CG 4.46Å; Q537-L542 HydrophobicContact CB-CD1 4.45Å; L542-Q737 CarbonylContact O-C 3.6Å; L542-L738 PolarHBondContact O-N 3.21Å; L542-A739 HydrophobicContact CB-CB 4.28Å; L542-A739 PolarHBondContact N-O 2.88Å; L542-A739 PolarHBondContact O-N 2.86Å
543	Y	88.1	Confident	87.9	Confident	28 Å²	28	33.2 Å²	33.2	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.7	179.9	-64.4	-93.5	0	0	0	110.8	M519 L535 A536 H538 K541 V735 L736 Q737	M519-Y543 HydrophobicContact CE-CD1 4.48Å; M519-Y543 HydrophobicContact CG-CD2 4.23Å; M519-Y543 HydrophobicContact CG-CE2 3.82Å; M519-Y543 HydrophobicContact SD-CD2 4.04Å; M519-Y543 HydrophobicContact SD-CE2 4.25Å; M519-Y543 HydrophobicContact SD-CG 4.25Å; L535-Y543 WeakPolarHBondContact CA-O 3.34Å; A536-Y543 PolarHBondContact N-O 3.4Å; A536-Y543 PolarHBondContact O-N 2.89Å; H538-Y543 HydrophobicContact CB-CD2 4.46Å; H538-Y543 HydrophobicContact CB-CE2 4.1Å; K541-Y543 HydrophobicContact CB-CD2 4.25Å; K541-Y543 HydrophobicContact CB-CE2 3.51Å; K541-Y543 HydrophobicContact CD-CE2 4.27Å; K541-Y543 VanDerWaalsContact CD-OH 3.29Å; K541-Y543 WeakPolarHBondContact CD-OH 3.41Å; Y543-V735 HydrophobicContact CD1-CG1 3.95Å; Y543-V735 HydrophobicContact CE1-CG1 4.47Å; Y543-L736 CarbonylContact C-O 3.54Å; Y543-L736 WeakPolarHBondContact CA-O 3.35Å; Y543-Q737 HydrophobicContact CD1-CB 4.03Å; Y543-Q737 HydrophobicContact CD1-CG 4.36Å; Y543-Q737 HydrophobicContact CE1-CB 3.87Å; Y543-Q737 HydrophobicContact CE1-CG 4.01Å
544	L	89.3	Confident	88.1	Confident	33 Å²	33	29.8 Å²	29.8	17%	0.173	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.7	164.5	-178	68.8	0	0	0	107.8	V529 W533 L535 L736 L738	V529-L544 HydrophobicContact CG2-CD1 4.09Å; W533-L544 HydrophobicContact CB-CD1 4.16Å; W533-L544 HydrophobicContact CE3-CD1 4.27Å; W533-L544 HydrophobicContact CE3-CD2 4.07Å; W533-L544 HydrophobicContact CE3-CG 3.71Å; W533-L544 HydrophobicContact CZ3-CD2 4.35Å; W533-L544 HydrophobicContact CZ3-CG 4.19Å; L535-L544 HydrophobicContact CD2-CB 4.23Å; L535-L544 HydrophobicContact CD2-CD1 3.81Å; L535-L544 HydrophobicContact CG-CD1 4.42Å; L544-L736 HydrophobicContact CB-CB 4.39Å; L544-L736 HydrophobicContact CD2-CD2 4.49Å; L544-L736 PolarHBondContact N-O 3.3Å; L544-L736 PolarHBondContact O-N 3.02Å; L544-L738 HydrophobicContact CB-CD1 3.9Å; L544-L738 HydrophobicContact CB-CD2 4.11Å; L544-L738 HydrophobicContact CB-CG 3.82Å; L544-L738 HydrophobicContact CD2-CD2 4.35Å
545	L	89.3	Confident	88.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.7	-167.9	-64.5	178.5	0	0	0	110.4	M519 L520 W533 A534 A536 T547 L550 Y716 V735	M519-L545 HydrophobicContact CE-CD2 4.15Å; L520-L545 HydrophobicContact CD2-CD1 3.93Å; L520-L545 HydrophobicContact CD2-CD2 4.43Å; W533-L545 WeakPolarHBondContact CA-O 3.38Å; A534-L545 PolarHBondContact N-O 2.74Å; A534-L545 PolarHBondContact O-N 3.05Å; A536-L545 HydrophobicContact CB-CD1 3.58Å; L545-T547 PolarHBondContact O-N 2.86Å; L545-L550 HydrophobicContact CB-CD1 3.72Å; L545-L550 HydrophobicContact CD2-CD1 4.23Å; L545-L550 HydrophobicContact CG-CD1 4.39Å; L545-Y716 WeakPolarHBondContact CB-OH 3.5Å; L545-Y716 HydrophobicContact CD1-CE1 3.8Å; L545-V735 HydrophobicContact CD2-CB 4.12Å; L545-V735 HydrophobicContact CD2-CG1 3.72Å; L545-V735 HydrophobicContact CD2-CG2 3.81Å
546	N	89.6	Confident	88.2	Confident	21 Å²	21	29 Å²	29	11%	0.112	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	88.7	173.6	-176.5	-13.8	0	0	0	109.8	Q532 W533 T548 K549 L550 N734	Q532-N546 CarbonylContact O-C 3.39Å; Q532-N546 WeakPolarHBondContact O-CA 3.36Å; Q532-N546 PolarHBondContact O-OD1 2.71Å; W533-N546 HydrophobicContact CE3-CB 4.07Å; W533-N546 HydrophobicContact CH2-CB 3.98Å; W533-N546 HydrophobicContact CZ2-CB 4.43Å; W533-N546 HydrophobicContact CZ3-CB 3.78Å; N546-T548 PolarHBondContact O-N 3.02Å; N546-T548 WeakPolarHBondContact OD1-CB 3.4Å; N546-T548 PolarHBondContact OD1-N 3.24Å; N546-K549 PolarHBondContact O-N 3.47Å; N546-K549 PolarHBondContact OD1-N 2.82Å; N546-K549 VanDerWaalsContact OD1-N 3.13Å; N546-L550 WeakPolarHBondContact O-CB 3.27Å; N546-L550 WeakPolarHBondContact O-CD1 3.42Å; N546-L550 VanDerWaalsContact O-CG 3.27Å; N546-L550 WeakPolarHBondContact O-CG 3.3Å; N546-L550 PolarHBondContact O-N 2.97Å; N546-N734 HydrophobicContact CB-CB 4.2Å; N546-N734 PolarHBondContact N-O 3.25Å; N546-N734 PolarHBondContact ND2-OD1 2.85Å
547	T	88.6	Confident	88.2	Confident	1 Å²	1	29 Å²	29	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-53.4	-37.6	178.3	-55.9	0	0	0	0	112.1	Q532 L545 S551 V681 V711 Y716	Q532-T547 PolarHBondContact O-N 2.89Å; L545-T547 PolarHBondContact O-N 2.86Å; T547-S551 WeakPolarHBondContact O-CB 3.36Å; T547-S551 PolarHBondContact O-N 3.38Å; T547-S551 PolarHBondContact O-OG 3.45Å; T547-S551 VanDerWaalsContact O-OG 3.05Å; T547-V681 HydrophobicContact CG2-CB 4.3Å; T547-V681 HydrophobicContact CG2-CG1 4.33Å; T547-V711 HydrophobicContact CG2-CG1 3.95Å; T547-V711 HydrophobicContact CG2-CG2 4.47Å; T547-Y716 HydrophobicContact CG2-CE2 3.89Å; T547-Y716 WeakPolarHBondContact OG1-CE2 3.48Å; T547-Y716 PolarHBondContact OG1-OH 2.86Å
548	T	88.6	Confident	88.3	Confident	14 Å²	14	26.6 Å²	26.6	9%	0.086	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-58.2	178.3	-56.8	0	0	0	0	110.9	Q532 N546 L550 S551 E552 V681 R682	Q532-T548 WeakPolarHBondContact CG-OG1 3.22Å; N546-T548 PolarHBondContact O-N 3.02Å; N546-T548 WeakPolarHBondContact OD1-CB 3.4Å; N546-T548 PolarHBondContact OD1-N 3.24Å; T548-L550 PolarHBondContact O-N 2.98Å; T548-S551 PolarHBondContact O-N 3.44Å; T548-S551 PolarHBondContact O-OG 3.28Å; T548-E552 PolarHBondContact O-N 3.18Å; T548-V681 WeakPolarHBondContact CA-O 3.39Å; T548-V681 VanDerWaalsContact CB-O 3.29Å; T548-V681 WeakPolarHBondContact CB-O 3.4Å; T548-V681 WeakPolarHBondContact CG2-O 3.42Å; T548-V681 PolarHBondContact OG1-O 3.37Å; T548-R682 HydrophobicContact CG2-CG 3.86Å
549	K	89.3	Confident	88.5	Confident	78 Å²	78	25.7 Å²	25.7	34%	0.339	12%	0.123	S	C	.	.	H	α-helix	trans	-70.8	-30.8	-177.8	-74.5	-56.3	-167.4	-172	0	114.1	N546 S551 E552 E553	N546-K549 PolarHBondContact O-N 3.47Å; N546-K549 PolarHBondContact OD1-N 2.82Å; N546-K549 VanDerWaalsContact OD1-N 3.13Å; K549-S551 VanDerWaalsContact C-N 3.34Å; K549-E552 IonicContact NZ-OE1 3.28Å; K549-E552 PolarHBondContact NZ-OE1 2.94Å; K549-E552 IonicContact NZ-OE2 3.05Å; K549-E552 PolarHBondContact NZ-OE2 3.1Å; K549-E553 PolarHBondContact O-N 3.35Å; K549-E553 VanDerWaalsContact O-N 3.08Å
550	L	89.2	Confident	88.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-35.3	170.6	-68.3	164	0	0	0	111.9	L520 L545 N546 T548 L554 F719 L723 F729	L520-L550 HydrophobicContact CD1-CD2 4.11Å; L545-L550 HydrophobicContact CB-CD1 3.72Å; L545-L550 HydrophobicContact CD2-CD1 4.23Å; L545-L550 HydrophobicContact CG-CD1 4.39Å; N546-L550 WeakPolarHBondContact O-CB 3.27Å; N546-L550 WeakPolarHBondContact O-CD1 3.42Å; N546-L550 VanDerWaalsContact O-CG 3.27Å; N546-L550 WeakPolarHBondContact O-CG 3.3Å; N546-L550 PolarHBondContact O-N 2.97Å; T548-L550 PolarHBondContact O-N 2.98Å; L550-L554 VanDerWaalsContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CB 3.42Å; L550-L554 PolarHBondContact O-N 3.5Å; L550-F719 HydrophobicContact CB-CE1 3.92Å; L550-F719 HydrophobicContact CB-CE2 3.94Å; L550-F719 HydrophobicContact CB-CZ 3.44Å; L550-F719 VanDerWaalsContact CB-CZ 3.44Å; L550-F719 HydrophobicContact CD1-CE2 4.49Å; L550-F719 VanDerWaalsContact O-CE1 3.29Å; L550-F719 WeakPolarHBondContact O-CE1 3.47Å; L550-L723 HydrophobicContact CB-CD2 4.25Å; L550-L723 HydrophobicContact CD2-CD2 3.9Å; L550-F729 HydrophobicContact CD2-CD2 3.76Å; L550-F729 HydrophobicContact CD2-CE2 3.8Å
551	S	90.1	Very high	88.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-72.6	-39.2	175.4	70.8	0	0	0	0	112.7	T547 T548 K549 L554 F555 S680 V681	T547-S551 WeakPolarHBondContact O-CB 3.36Å; T547-S551 PolarHBondContact O-N 3.38Å; T547-S551 PolarHBondContact O-OG 3.45Å; T547-S551 VanDerWaalsContact O-OG 3.05Å; T548-S551 PolarHBondContact O-N 3.44Å; T548-S551 PolarHBondContact O-OG 3.28Å; K549-S551 VanDerWaalsContact C-N 3.34Å; S551-L554 WeakPolarHBondContact O-CB 3.49Å; S551-L554 PolarHBondContact O-N 2.89Å; S551-F555 WeakPolarHBondContact O-CD2 3.34Å; S551-F555 PolarHBondContact O-N 3.08Å; S551-S680 WeakPolarHBondContact OG-CA 3.3Å; S551-V681 PolarHBondContact OG-N 3.41Å
552	E	90.8	Very high	88.6	Confident	37 Å²	37	18 Å²	18	17%	0.173	8%	0.084	C	C	.	.	H	α-helix	trans	-57.3	-51.5	173.4	-159.7	179.9	99.1	0	0	110.2	T548 K549 L554 F555 Y556 A676 V677 R682	T548-E552 PolarHBondContact O-N 3.18Å; K549-E552 IonicContact NZ-OE1 3.28Å; K549-E552 PolarHBondContact NZ-OE1 2.94Å; K549-E552 IonicContact NZ-OE2 3.05Å; K549-E552 PolarHBondContact NZ-OE2 3.1Å; E552-L554 PolarHBondContact O-N 3.19Å; E552-F555 PolarHBondContact O-N 3.34Å; E552-Y556 PolarHBondContact O-N 3.19Å; E552-A676 WeakPolarHBondContact O-CB 3.44Å; E552-V677 HydrophobicContact CG-CG2 4.08Å; E552-R682 IonicContact OE2-NH2 2.77Å; E552-R682 PolarHBondContact OE2-NH2 2.9Å
553	E	89.9	Confident	88.4	Confident	36 Å²	36	15.8 Å²	15.8	17%	0.168	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-39.4	176.5	-172.1	65.4	-145.1	0	0	113	K549 Y556 Q557 L723 P726 F729	K549-E553 PolarHBondContact O-N 3.35Å; K549-E553 VanDerWaalsContact O-N 3.08Å; E553-Y556 PolarHBondContact O-N 3.22Å; E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.27Å; E553-Q557 PolarHBondContact O-N 3.16Å; E553-Q557 PolarHBondContact OE1-NE2 2.97Å; E553-L723 HydrophobicContact CB-CD1 4.1Å; E553-L723 HydrophobicContact CG-CD1 3.76Å; E553-P726 HydrophobicContact CG-CG 3.94Å; E553-F729 HydrophobicContact CB-CE2 4.1Å; E553-F729 HydrophobicContact CB-CZ 3.99Å; E553-F729 HydrophobicContact CG-CE2 4.25Å; E553-F729 HydrophobicContact CG-CZ 4.26Å
554	L	90.3	Very high	88.1	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-49.2	175.5	169.5	72.7	0	0	0	111.7	L550 S551 E552 Q557 I558 I638 A718 F719 H722 L723	L550-L554 VanDerWaalsContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CB 3.42Å; L550-L554 PolarHBondContact O-N 3.5Å; S551-L554 WeakPolarHBondContact O-CB 3.49Å; S551-L554 PolarHBondContact O-N 2.89Å; E552-L554 PolarHBondContact O-N 3.19Å; L554-Q557 PolarHBondContact O-N 2.93Å; L554-I558 HydrophobicContact CD1-CD1 3.9Å; L554-I558 HydrophobicContact CD1-CG1 4.42Å; L554-I558 HydrophobicContact CG-CD1 3.97Å; L554-I558 WeakPolarHBondContact O-CG1 3.19Å; L554-I558 PolarHBondContact O-N 2.99Å; L554-I638 HydrophobicContact CD2-CD1 4.01Å; L554-A718 HydrophobicContact CD1-CB 4.29Å; L554-A718 HydrophobicContact CD2-CB 3.85Å; L554-F719 HydrophobicContact CB-CD1 4.12Å; L554-F719 HydrophobicContact CB-CE1 3.87Å; L554-F719 HydrophobicContact CD1-CD1 4.35Å; L554-F719 HydrophobicContact CD2-CD1 3.76Å; L554-F719 HydrophobicContact CD2-CE1 3.71Å; L554-F719 HydrophobicContact CG-CD1 4.29Å; L554-F719 HydrophobicContact CG-CE1 4.32Å; L554-H722 HydrophobicContact CD1-CB 3.81Å; L554-L723 HydrophobicContact CB-CD1 4.42Å; L554-L723 HydrophobicContact CD1-CB 4.14Å
555	F	90.7	Very high	87.7	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69	-37.8	-178.1	-70.5	-60.3	0	0	0	111.7	S551 E552 Q557 I558 L559 L637 I638 Y641 A676 Y679 I715	S551-F555 WeakPolarHBondContact O-CD2 3.34Å; S551-F555 PolarHBondContact O-N 3.08Å; E552-F555 PolarHBondContact O-N 3.34Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.98Å; F555-I558 PolarHBondContact O-N 3.46Å; F555-L559 WeakPolarHBondContact O-CB 3.17Å; F555-L559 WeakPolarHBondContact O-CD1 3.47Å; F555-L559 VanDerWaalsContact O-CG 3.3Å; F555-L559 WeakPolarHBondContact O-CG 3.36Å; F555-L559 PolarHBondContact O-N 3.08Å; F555-L637 HydrophobicContact CB-CD1 4.21Å; F555-L637 HydrophobicContact CD1-CB 4.08Å; F555-L637 HydrophobicContact CD1-CD1 3.7Å; F555-L637 HydrophobicContact CE1-CB 4.31Å; F555-L637 HydrophobicContact CG-CD1 4.29Å; F555-I638 HydrophobicContact CD1-CD1 4.29Å; F555-I638 HydrophobicContact CE1-CD1 3.47Å; F555-I638 VanDerWaalsContact CE1-CD1 3.47Å; F555-I638 HydrophobicContact CE1-CG1 3.92Å; F555-I638 HydrophobicContact CZ-CD1 4Å; F555-Y641 HydrophobicContact CE1-CD1 4.03Å; F555-Y641 HydrophobicContact CE1-CE1 4.06Å; F555-Y641 AromaticContact CE2-CE1 3.94Å; F555-Y641 HydrophobicContact CE2-CE1 3.94Å; F555-Y641 AromaticContact CZ-CD1 3.68Å; F555-Y641 HydrophobicContact CZ-CD1 3.68Å; F555-Y641 AromaticContact CZ-CE1 3.33Å; F555-Y641 HydrophobicContact CZ-CE1 3.33Å; F555-Y641 HydrophobicContact CZ-CG 4.38Å; F555-Y641 AromaticContact CZ-CZ 3.81Å; F555-A676 HydrophobicContact CB-CB 3.91Å; F555-Y679 HydrophobicContact CD1-CD1 4.45Å; F555-Y679 HydrophobicContact CE1-CD1 4.34Å; F555-Y679 WeakPolarHBondContact CE2-O 3.34Å; F555-I715 HydrophobicContact CE2-CD1 4.17Å; F555-I715 HydrophobicContact CZ-CD1 3.73Å
556	Y	91.5	Very high	87.4	Confident	22 Å²	22	15.2 Å²	15.2	9%	0.086	7%	0.073	C	C	.	.	H	α-helix	trans	-58.5	-45.6	173.4	175.8	-108.6	0	0	0	111.5	I508 E552 E553 L559 I560 K673 A676	I508-Y556 HydrophobicContact CD1-CD1 4.4Å; I508-Y556 HydrophobicContact CD1-CE1 3.78Å; I508-Y556 HydrophobicContact CG1-CE1 4.03Å; E552-Y556 PolarHBondContact O-N 3.19Å; E553-Y556 PolarHBondContact O-N 3.22Å; Y556-L559 PolarHBondContact O-N 3.28Å; Y556-I560 HydrophobicContact CD2-CG1 4.43Å; Y556-I560 HydrophobicContact CE1-CG1 4.45Å; Y556-I560 HydrophobicContact CE2-CD1 4.39Å; Y556-I560 HydrophobicContact CE2-CG1 3.97Å; Y556-I560 WeakPolarHBondContact O-CG1 3.45Å; Y556-I560 PolarHBondContact O-N 3.39Å; Y556-I560 VanDerWaalsContact O-N 3.12Å; Y556-K673 HydrophobicContact CD2-CG 3.85Å; Y556-K673 HydrophobicContact CE2-CG 3.84Å; Y556-A676 VanDerWaalsContact N-CB 3.33Å
557	Q	88.9	Confident	86.8	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-67.8	-39.5	178.7	-68.5	-179.7	10.2	0	0	112.5	I508 E553 L554 F555 L559 I560 Y561 L724	I508-Q557 HydrophobicContact CD1-CG 4.41Å; I508-Q557 HydrophobicContact CG2-CG 4Å; E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.27Å; E553-Q557 PolarHBondContact O-N 3.16Å; E553-Q557 PolarHBondContact OE1-NE2 2.97Å; L554-Q557 PolarHBondContact O-N 2.93Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.98Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.09Å; Q557-I560 PolarHBondContact O-N 3.42Å; Q557-Y561 HydrophobicContact CB-CD2 4.22Å; Q557-Y561 HydrophobicContact CB-CE2 4.24Å; Q557-Y561 WeakPolarHBondContact O-CD2 3.42Å; Q557-Y561 PolarHBondContact O-N 3.5Å; Q557-L724 PolarHBondContact NE2-O 2.87Å
558	I	87.1	Confident	86.6	Confident	6 Å²	6	17.3 Å²	17.3	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-44.5	172.7	-68.6	167.1	0	0	0	110.5	A487 L554 F555 I560 Y561 D562 L637 I638 H722	A487-I558 HydrophobicContact CB-CD1 3.89Å; A487-I558 HydrophobicContact CB-CG1 4.23Å; A487-I558 HydrophobicContact CB-CG2 4.38Å; L554-I558 HydrophobicContact CD1-CD1 3.9Å; L554-I558 HydrophobicContact CD1-CG1 4.42Å; L554-I558 HydrophobicContact CG-CD1 3.97Å; L554-I558 WeakPolarHBondContact O-CG1 3.19Å; L554-I558 PolarHBondContact O-N 2.99Å; F555-I558 PolarHBondContact O-N 3.46Å; I558-I560 VanDerWaalsContact C-N 3.27Å; I558-I560 PolarHBondContact O-N 3.22Å; I558-Y561 PolarHBondContact O-N 3.47Å; I558-D562 WeakPolarHBondContact O-CB 3.3Å; I558-D562 PolarHBondContact O-N 2.98Å; I558-L637 HydrophobicContact CG2-CB 4.21Å; I558-L637 HydrophobicContact CG2-CD2 4.34Å; I558-I638 HydrophobicContact CD1-CD1 3.88Å; I558-I638 HydrophobicContact CD1-CG1 3.81Å; I558-H722 HydrophobicContact CG1-CB 4.33Å
559	L	87.8	Confident	86.5	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-34.3	178.4	-75.5	157.3	0	0	0	113	F555 Y556 Q557 F563 F566 F621 L637 S672 C675 A676	F555-L559 WeakPolarHBondContact O-CB 3.17Å; F555-L559 WeakPolarHBondContact O-CD1 3.47Å; F555-L559 VanDerWaalsContact O-CG 3.3Å; F555-L559 WeakPolarHBondContact O-CG 3.36Å; F555-L559 PolarHBondContact O-N 3.08Å; Y556-L559 PolarHBondContact O-N 3.28Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.09Å; L559-F563 WeakPolarHBondContact O-CA 3.26Å; L559-F563 WeakPolarHBondContact O-CB 3.3Å; L559-F563 PolarHBondContact O-N 2.89Å; L559-F566 HydrophobicContact CB-CZ 4.49Å; L559-F566 HydrophobicContact CD2-CE1 4.25Å; L559-F566 HydrophobicContact CD2-CE2 4.2Å; L559-F566 HydrophobicContact CD2-CZ 3.8Å; L559-F621 HydrophobicContact CD2-CD1 4.11Å; L559-F621 HydrophobicContact CD2-CE1 4.37Å; L559-L637 HydrophobicContact CD1-CD1 4.13Å; L559-L637 HydrophobicContact CD2-CD1 4.21Å; L559-L637 HydrophobicContact CD2-CD2 3.68Å; L559-L637 HydrophobicContact CG-CD1 4Å; L559-L637 HydrophobicContact CG-CD2 4.04Å; L559-S672 VanDerWaalsContact CD1-O 3.26Å; L559-S672 WeakPolarHBondContact CD1-O 3.36Å; L559-C675 HydrophobicContact CD1-CB 3.52Å; L559-C675 HydrophobicContact CD2-CB 4.37Å; L559-A676 HydrophobicContact CD1-CB 4.29Å
560	I	88.1	Confident	86.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-87.1	-29.9	-179.8	-62.4	-62.6	0	0	0	113.4	L504 Q505 I508 Y556 Q557 I558	L504-I560 HydrophobicContact CB-CD1 4.5Å; L504-I560 HydrophobicContact CB-CG2 3.99Å; L504-I560 HydrophobicContact CD1-CD1 3.98Å; Q505-I560 HydrophobicContact CG-CG2 3.66Å; Q505-I560 PolarHBondContact NE2-O 2.93Å; I508-I560 HydrophobicContact CD1-CB 3.9Å; I508-I560 HydrophobicContact CD1-CG1 4.21Å; I508-I560 HydrophobicContact CD1-CG2 3.67Å; Y556-I560 HydrophobicContact CD2-CG1 4.43Å; Y556-I560 HydrophobicContact CE1-CG1 4.45Å; Y556-I560 HydrophobicContact CE2-CD1 4.39Å; Y556-I560 HydrophobicContact CE2-CG1 3.97Å; Y556-I560 WeakPolarHBondContact O-CG1 3.45Å; Y556-I560 PolarHBondContact O-N 3.39Å; Y556-I560 VanDerWaalsContact O-N 3.12Å; Q557-I560 PolarHBondContact O-N 3.42Å; I558-I560 VanDerWaalsContact C-N 3.27Å; I558-I560 PolarHBondContact O-N 3.22Å
561	Y	84	Confident	86.1	Confident	34 Å²	34	24.1 Å²	24.1	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-88	-32.4	177.4	-70.8	-61.7	0	0	0	114.2	M485 R493 Q505 I508 N509 Q557 I558	M485-Y561 HydrophobicContact CE-CD2 4.09Å; M485-Y561 HydrophobicContact CE-CE2 3.88Å; R493-Y561 PolarHBondContact NH2-O 3.28Å; Q505-Y561 HydrophobicContact CB-CE1 4.05Å; Q505-Y561 HydrophobicContact CG-CD1 3.81Å; Q505-Y561 HydrophobicContact CG-CE1 3.82Å; I508-Y561 HydrophobicContact CG2-CE2 4.1Å; I508-Y561 WeakPolarHBondContact CG2-OH 3.42Å; N509-Y561 PolarHBondContact OD1-OH 3.4Å; Q557-Y561 HydrophobicContact CB-CD2 4.22Å; Q557-Y561 HydrophobicContact CB-CE2 4.24Å; Q557-Y561 WeakPolarHBondContact O-CD2 3.42Å; Q557-Y561 PolarHBondContact O-N 3.5Å; I558-Y561 PolarHBondContact O-N 3.47Å
562	D	81.8	Confident	85.6	Confident	15 Å²	15	30.1 Å²	30.1	8%	0.08	16%	0.157	C	C	.	.	S	Bend	trans	-106	18.4	177.1	-76.8	-31.4	0	0	0	113	T486 A487 R493 I558 A564 N565 F566	T486-D562 WeakPolarHBondContact CA-OD2 3.45Å; T486-D562 WeakPolarHBondContact CG2-OD1 3.43Å; A487-D562 PolarHBondContact N-OD2 2.93Å; A487-D562 VanDerWaalsContact N-OD2 3.11Å; R493-D562 IonicContact NH2-OD1 3.58Å; R493-D562 PolarHBondContact NH2-OD1 2.92Å; I558-D562 WeakPolarHBondContact O-CB 3.3Å; I558-D562 PolarHBondContact O-N 2.98Å; D562-A564 PolarHBondContact O-N 3.24Å; D562-N565 WeakPolarHBondContact O-CA 3.34Å; D562-N565 WeakPolarHBondContact O-CB 3.46Å; D562-N565 PolarHBondContact O-N 3.09Å; D562-F566 HydrophobicContact CB-CD1 4.39Å; D562-F566 HydrophobicContact CB-CE1 3.97Å; D562-F566 VanDerWaalsContact O-CE1 3.23Å; D562-F566 WeakPolarHBondContact O-CE1 3.12Å; D562-F566 WeakPolarHBondContact O-CZ 3.4Å
563	F	84.2	Confident	85.2	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.018	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.2	131.8	174.2	-166.2	-102.5	0	0	0	112.8	I496 L498 V501 L559 N565 Y620 F621 F668	I496-F563 HydrophobicContact CD1-CB 4.47Å; I496-F563 HydrophobicContact CD1-CD1 3.82Å; I496-F563 WeakPolarHBondContact CD1-O 3.4Å; I496-F563 HydrophobicContact CG2-CD1 4.34Å; L498-F563 HydrophobicContact CD1-CE1 4.13Å; V501-F563 HydrophobicContact CG1-CB 4.3Å; V501-F563 HydrophobicContact CG1-CD1 4.44Å; V501-F563 HydrophobicContact CG1-CG 4.33Å; V501-F563 HydrophobicContact CG2-CD1 3.84Å; V501-F563 HydrophobicContact CG2-CE1 3.73Å; V501-F563 HydrophobicContact CG2-CE2 4.43Å; V501-F563 HydrophobicContact CG2-CG 4.25Å; V501-F563 HydrophobicContact CG2-CZ 4.06Å; L559-F563 WeakPolarHBondContact O-CA 3.26Å; L559-F563 WeakPolarHBondContact O-CB 3.3Å; L559-F563 PolarHBondContact O-N 2.89Å; F563-N565 PolarHBondContact O-N 3.22Å; F563-N565 VanDerWaalsContact O-N 3.1Å; F563-N565 PolarHBondContact O-ND2 3.41Å; F563-Y620 HydrophobicContact CD1-CD1 4.33Å; F563-Y620 AromaticContact CE1-CD1 3.42Å; F563-Y620 HydrophobicContact CE1-CD1 3.42Å; F563-Y620 VanDerWaalsContact CE1-CD1 3.42Å; F563-Y620 HydrophobicContact CE1-CE1 4.04Å; F563-Y620 HydrophobicContact CE1-CG 4.26Å; F563-Y620 AromaticContact CZ-CD1 3.8Å; F563-Y620 HydrophobicContact CZ-CD1 3.8Å; F563-Y620 HydrophobicContact CZ-CG 4.21Å; F563-F621 HydrophobicContact CD2-CE1 4.34Å; F563-F621 HydrophobicContact CD2-CZ 4.31Å; F563-F621 HydrophobicContact CE2-CE1 4.02Å; F563-F621 HydrophobicContact CE2-CE2 4.05Å; F563-F621 AromaticContact CE2-CZ 3.55Å; F563-F621 HydrophobicContact CE2-CZ 3.55Å; F563-F621 HydrophobicContact CZ-CZ 4.4Å; F563-F668 HydrophobicContact CE1-CE2 4.41Å; F563-F668 HydrophobicContact CE2-CB 4.25Å; F563-F668 HydrophobicContact CE2-CD1 4.1Å; F563-F668 HydrophobicContact CE2-CD2 4.41Å; F563-F668 HydrophobicContact CE2-CG 4.01Å; F563-F668 HydrophobicContact CZ-CB 4.5Å; F563-F668 AromaticContact CZ-CD1 3.75Å; F563-F668 HydrophobicContact CZ-CD1 3.75Å; F563-F668 AromaticContact CZ-CD2 3.86Å; F563-F668 HydrophobicContact CZ-CD2 3.86Å; F563-F668 AromaticContact CZ-CE1 3.83Å; F563-F668 HydrophobicContact CZ-CE1 3.83Å; F563-F668 AromaticContact CZ-CE2 3.94Å; F563-F668 HydrophobicContact CZ-CE2 3.94Å; F563-F668 AromaticContact CZ-CG 3.78Å; F563-F668 HydrophobicContact CZ-CG 3.78Å; F563-F668 AromaticContact CZ-CZ 3.93Å; F563-F668 HydrophobicContact CZ-CZ 3.93Å
564	A	80.5	Confident	85	Confident	13 Å²	13	37.7 Å²	37.7	11%	0.107	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	27.1	-174.6	0	0	0	0	0	116.4	I496 D562 D619 Y620	I496-A564 HydrophobicContact CD1-CB 3.65Å; D562-A564 PolarHBondContact O-N 3.24Å; A564-D619 WeakPolarHBondContact CB-O 3.46Å; A564-Y620 WeakPolarHBondContact CA-O 3.37Å; A564-Y620 HydrophobicContact CB-CD1 4.18Å; A564-Y620 PolarHBondContact N-O 3.01Å
565	N	81.3	Confident	84.9	Confident	25 Å²	25	38.6 Å²	38.6	13%	0.134	21%	0.206	C	C	.	.			trans	-131.1	20.7	176.2	-68.3	-92.1	0	0	0	112.8	R493 R494 D562 F563	R493-N565 VanDerWaalsContact CA-OD1 3.28Å; R493-N565 WeakPolarHBondContact CA-OD1 3.44Å; R493-N565 VanDerWaalsContact CG-OD1 3.27Å; R493-N565 WeakPolarHBondContact CG-OD1 3.19Å; R494-N565 PolarHBondContact N-OD1 2.84Å; R494-N565 PolarHBondContact O-ND2 2.98Å; D562-N565 WeakPolarHBondContact O-CA 3.34Å; D562-N565 WeakPolarHBondContact O-CB 3.46Å; D562-N565 PolarHBondContact O-N 3.09Å; F563-N565 PolarHBondContact O-N 3.22Å; F563-N565 VanDerWaalsContact O-N 3.1Å; F563-N565 PolarHBondContact O-ND2 3.41Å
566	F	82.6	Confident	84.9	Confident	12 Å²	12	40.9 Å²	40.9	5%	0.053	22%	0.221	C	C	.	.			trans	-77.8	158.6	179.6	-43.5	-64.2	0	0	0	112.5	L559 D562 Y620 F621 S622 P635 L637	L559-F566 HydrophobicContact CB-CZ 4.49Å; L559-F566 HydrophobicContact CD2-CE1 4.25Å; L559-F566 HydrophobicContact CD2-CE2 4.2Å; L559-F566 HydrophobicContact CD2-CZ 3.8Å; D562-F566 HydrophobicContact CB-CD1 4.39Å; D562-F566 HydrophobicContact CB-CE1 3.97Å; D562-F566 VanDerWaalsContact O-CE1 3.23Å; D562-F566 WeakPolarHBondContact O-CE1 3.12Å; D562-F566 WeakPolarHBondContact O-CZ 3.4Å; F566-Y620 WeakPolarHBondContact CE2-O 3.21Å; F566-F621 HydrophobicContact CE2-CD1 4.28Å; F566-S622 PolarHBondContact O-OG 2.81Å; F566-P635 HydrophobicContact CB-CB 4.32Å; F566-P635 HydrophobicContact CD2-CB 4.49Å; F566-P635 HydrophobicContact CG-CB 4.38Å; F566-L637 HydrophobicContact CD1-CD2 3.55Å; F566-L637 HydrophobicContact CE1-CD2 3.73Å; F566-L637 HydrophobicContact CG-CD2 4.16Å; F566-L637 HydrophobicContact CZ-CD2 4.45Å
567	G	78.6	Confident	84.8	Confident	9 Å²	9	39.9 Å²	39.9	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	172.6	162.4	0	0	0	0	0	111.5	L636	G567-L636 PolarHBondContact O-N 3.21Å
568	V	84.4	Confident	84.8	Confident	57 Å²	57	43.2 Å²	43.2	35%	0.345	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.7	171.6	-172.2	0	0	0	0	110.2	R570 E624	V568-R570 HydrophobicContact CB-CG 4.47Å; V568-R570 HydrophobicContact CG1-CG 3.67Å; V568-E624 HydrophobicContact CG1-CG 4.22Å
569	L	85.4	Confident	85	Confident	31 Å²	31	47 Å²	47	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.6	161.6	-174.4	160.5	0	0	0	107.3	L571 G633 L634 L636 V642	L569-L571 HydrophobicContact CD2-CD2 4.38Å; L569-G633 WeakPolarHBondContact O-CA 3.46Å; L569-L634 WeakPolarHBondContact CB-O 3.24Å; L569-L634 PolarHBondContact N-O 3.47Å; L569-L634 PolarHBondContact O-N 2.94Å; L569-L636 HydrophobicContact CB-CB 4.48Å; L569-L636 HydrophobicContact CD1-CD1 4.48Å; L569-V642 HydrophobicContact CD1-CB 4.49Å; L569-V642 HydrophobicContact CD1-CG1 4.27Å; L569-V642 HydrophobicContact CD1-CG2 4.24Å
570	R	85.4	Confident	85	Confident	168 Å²	168	47.9 Å²	47.9	63%	0.634	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.8	178.5	-71.2	-170.5	166.4	172.5	2.7	111.8	V568 E624 I632	V568-R570 HydrophobicContact CB-CG 4.47Å; V568-R570 HydrophobicContact CG1-CG 3.67Å; R570-E624 IonicContact CZ-OE1 3.75Å; R570-E624 IonicContact CZ-OE2 2.66Å; R570-E624 VanDerWaalsContact CZ-OE2 3.28Å; R570-E624 IonicContact NE-OE1 3.81Å; R570-E624 IonicContact NE-OE2 2.76Å; R570-E624 PolarHBondContact NE-OE2 3.41Å; R570-E624 VanDerWaalsContact NH2-CD 3.31Å; R570-E624 IonicContact NH2-OE1 2.86Å; R570-E624 PolarHBondContact NH2-OE1 2.8Å; R570-E624 IonicContact NH2-OE2 3.53Å; R570-E624 PolarHBondContact NH2-OE2 3.07Å; R570-I632 WeakPolarHBondContact CA-O 3.36Å
571	L	84.1	Confident	85	Confident	36 Å²	36	47.9 Å²	47.9	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146.8	173.2	-58.5	178.6	0	0	0	109.8	L569 E573 A575 L631 I632 L634	L569-L571 HydrophobicContact CD2-CD2 4.38Å; L571-E573 VanDerWaalsContact C-N 3.33Å; L571-E573 WeakPolarHBondContact CB-O 3.39Å; L571-A575 HydrophobicContact CD1-CB 3.98Å; L571-L631 HydrophobicContact CD1-CD2 4.13Å; L571-L631 HydrophobicContact CD1-CG 4.24Å; L571-I632 PolarHBondContact N-O 3.49Å; L571-L634 HydrophobicContact CD2-CD1 4.45Å
572	S	81	Confident	85.2	Confident	126 Å²	126	48 Å²	48	88%	0.881	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-26.7	178.7	50.1	0	0	0	0	113.1
573	E	82.1	Confident	85.4	Confident	154 Å²	154	52.2 Å²	52.2	72%	0.72	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	175	-62.6	-178.2	166.9	0	0	106.6	L571 A575	L571-E573 VanDerWaalsContact C-N 3.33Å; L571-E573 WeakPolarHBondContact CB-O 3.39Å; E573-A575 PolarHBondContact O-N 2.99Å
574	P	85.5	Confident	85.5	Confident	77 Å²	77	52 Å²	52	50%	0.5	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.7	177.2	-20.6	32.8	0	0	0	110.5	P576 N630 L631 I632	P574-P576 WeakPolarHBondContact O-CD 3.46Å; P574-N630 HydrophobicContact CB-CB 3.62Å; P574-L631 WeakPolarHBondContact CA-O 3.38Å; P574-I632 HydrophobicContact CB-CG1 4.37Å
575	A	87.6	Confident	85.8	Confident	19 Å²	19	51.7 Å²	51.7	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.9	-175.8	0	0	0	0	0	110.9	L571 E573 L577 L580 N630 L631	L571-A575 HydrophobicContact CD1-CB 3.98Å; E573-A575 PolarHBondContact O-N 2.99Å; A575-L577 PolarHBondContact O-N 2.92Å; A575-L580 HydrophobicContact CB-CD1 3.94Å; A575-N630 CarbonylContact O-C 3.59Å; A575-N630 WeakPolarHBondContact O-CA 3.38Å; A575-L631 HydrophobicContact CB-CB 4.47Å; A575-L631 PolarHBondContact N-O 3.39Å; A575-L631 PolarHBondContact O-N 3.49Å
576	P	91.2	Very high	85.9	Confident	49 Å²	49	55.4 Å²	55.4	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.3	-178.2	-23.1	34.9	0	0	0	111.9	P574 F578 D579 L580 N630	P574-P576 WeakPolarHBondContact O-CD 3.46Å; P576-F578 PolarHBondContact O-N 3.46Å; P576-D579 HydrophobicContact CB-CB 4.31Å; P576-D579 WeakPolarHBondContact CB-OD2 3.27Å; P576-D579 PolarHBondContact O-N 3.13Å; P576-L580 WeakPolarHBondContact O-CG 3.47Å; P576-L580 PolarHBondContact O-N 3.33Å; P576-L580 VanDerWaalsContact O-N 3.13Å; P576-N630 WeakPolarHBondContact CA-OD1 3.44Å
577	L	89.3	Confident	85.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-27.6	-179.7	-70.7	173.5	0	0	0	112.5	A575 L580 A581 V607 I625 G629 L631 I652	A575-L577 PolarHBondContact O-N 2.92Å; L577-L580 HydrophobicContact CD2-CD1 4.47Å; L577-A581 VanDerWaalsContact O-CB 3.32Å; L577-A581 WeakPolarHBondContact O-CB 3.27Å; L577-A581 PolarHBondContact O-N 3.3Å; L577-V607 HydrophobicContact CB-CG2 3.84Å; L577-I625 HydrophobicContact CD1-CD1 4.09Å; L577-I625 HydrophobicContact CD1-CG1 4.32Å; L577-I625 HydrophobicContact CD1-CG2 3.66Å; L577-G629 VanDerWaalsContact CB-O 3.29Å; L577-G629 WeakPolarHBondContact CB-O 3.43Å; L577-G629 VanDerWaalsContact CG-O 3.29Å; L577-G629 WeakPolarHBondContact CG-O 3.31Å; L577-G629 PolarHBondContact N-O 2.96Å; L577-L631 HydrophobicContact CD2-CB 4.12Å; L577-I652 HydrophobicContact CD2-CD1 3.66Å; L577-I652 HydrophobicContact CD2-CG1 3.94Å; L577-I652 HydrophobicContact CD2-CG2 3.88Å
578	F	89.9	Confident	85.6	Confident	72 Å²	72	62.2 Å²	62.2	32%	0.316	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-50.9	175.2	-179.2	-96.8	0	0	0	111.7	P576 L580 A581 M582 A603 E604 V607	P576-F578 PolarHBondContact O-N 3.46Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 3.09Å; F578-A581 PolarHBondContact O-N 3.14Å; F578-A581 VanDerWaalsContact O-N 3.17Å; F578-M582 HydrophobicContact CD1-CG 4.27Å; F578-M582 HydrophobicContact CE1-CG 3.85Å; F578-M582 HydrophobicContact CE2-CG 4.4Å; F578-M582 HydrophobicContact CZ-CG 3.92Å; F578-M582 HydrophobicContact CZ-SD 4.27Å; F578-M582 WeakPolarHBondContact O-CG 3.5Å; F578-M582 PolarHBondContact O-N 3.21Å; F578-A603 HydrophobicContact CD2-CB 3.71Å; F578-A603 HydrophobicContact CE2-CB 3.63Å; F578-A603 HydrophobicContact CZ-CB 4.44Å; F578-E604 HydrophobicContact CD2-CG 4.37Å; F578-E604 HydrophobicContact CE2-CG 4.02Å; F578-V607 HydrophobicContact CB-CG2 4.04Å
579	D	89.4	Confident	84.9	Confident	86 Å²	86	63.5 Å²	63.5	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-38.8	179.6	-62.3	-29.3	0	0	0	111.1	P576 M582 L583	P576-D579 HydrophobicContact CB-CB 4.31Å; P576-D579 WeakPolarHBondContact CB-OD2 3.27Å; P576-D579 PolarHBondContact O-N 3.13Å; D579-M582 PolarHBondContact O-N 3.34Å; D579-L583 WeakPolarHBondContact O-CB 3.22Å; D579-L583 VanDerWaalsContact O-CG 3.25Å; D579-L583 WeakPolarHBondContact O-CG 3.42Å; D579-L583 PolarHBondContact O-N 3.29Å
580	L	88.2	Confident	84.4	Confident	18 Å²	18	63.6 Å²	63.6	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-41.3	173.1	-70.2	173.8	0	0	0	112.3	A575 P576 L577 F578 A584 L648 P649 I652	A575-L580 HydrophobicContact CB-CD1 3.94Å; P576-L580 WeakPolarHBondContact O-CG 3.47Å; P576-L580 PolarHBondContact O-N 3.33Å; P576-L580 VanDerWaalsContact O-N 3.13Å; L577-L580 HydrophobicContact CD2-CD1 4.47Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 3.09Å; L580-A584 WeakPolarHBondContact O-CB 3.37Å; L580-A584 PolarHBondContact O-N 3.17Å; L580-L648 HydrophobicContact CD1-CD2 3.96Å; L580-L648 HydrophobicContact CD1-CG 4.12Å; L580-L648 HydrophobicContact CD2-CD2 4.13Å; L580-L648 HydrophobicContact CD2-CG 4.21Å; L580-P649 HydrophobicContact CD2-CG 3.96Å; L580-P649 WeakPolarHBondContact O-CB 3.31Å; L580-I652 HydrophobicContact CB-CG1 4.41Å; L580-I652 HydrophobicContact CD1-CG1 4.08Å
581	A	88	Confident	83.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-41.9	176.3	0	0	0	0	0	112	L577 F578 A584 L585 A603 I606	L577-A581 VanDerWaalsContact O-CB 3.32Å; L577-A581 WeakPolarHBondContact O-CB 3.27Å; L577-A581 PolarHBondContact O-N 3.3Å; F578-A581 PolarHBondContact O-N 3.14Å; F578-A581 VanDerWaalsContact O-N 3.17Å; A581-A584 WeakPolarHBondContact O-CB 3.47Å; A581-A584 PolarHBondContact O-N 2.77Å; A581-L585 WeakPolarHBondContact O-CG 3.45Å; A581-L585 PolarHBondContact O-N 2.91Å; A581-A603 HydrophobicContact CB-CB 3.81Å; A581-I606 HydrophobicContact CB-CB 4.46Å; A581-I606 HydrophobicContact CB-CD1 4.15Å; A581-I606 HydrophobicContact CB-CG2 4.27Å
582	M	87.8	Confident	83.4	Confident	36 Å²	36	60.1 Å²	60.1	18%	0.177	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-47.2	174.8	-72.2	-63.5	-66.5	0	0	111.8	F578 D579 A584 L585 D586 K599 E600 A603	F578-M582 HydrophobicContact CD1-CG 4.27Å; F578-M582 HydrophobicContact CE1-CG 3.85Å; F578-M582 HydrophobicContact CE2-CG 4.4Å; F578-M582 HydrophobicContact CZ-CG 3.92Å; F578-M582 HydrophobicContact CZ-SD 4.27Å; F578-M582 WeakPolarHBondContact O-CG 3.5Å; F578-M582 PolarHBondContact O-N 3.21Å; D579-M582 PolarHBondContact O-N 3.34Å; M582-A584 PolarHBondContact O-N 3.43Å; M582-L585 PolarHBondContact O-N 3.32Å; M582-L585 VanDerWaalsContact O-N 3.16Å; M582-D586 PolarHBondContact O-N 3.35Å; M582-K599 HydrophobicContact CE-CB 4.03Å; M582-K599 HydrophobicContact SD-CB 3.97Å; M582-E600 HydrophobicContact CE-CG 4.12Å; M582-E600 HydrophobicContact SD-CG 4.37Å; M582-A603 HydrophobicContact CG-CB 3.92Å; M582-A603 HydrophobicContact SD-CB 3.8Å
583	L	87.5	Confident	83	Confident	104 Å²	104	57.1 Å²	57.1	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-30.6	174.9	-73.2	169.9	0	0	0	112.8	D579 S587 P649	D579-L583 WeakPolarHBondContact O-CB 3.22Å; D579-L583 VanDerWaalsContact O-CG 3.25Å; D579-L583 WeakPolarHBondContact O-CG 3.42Å; D579-L583 PolarHBondContact O-N 3.29Å; L583-S587 PolarHBondContact O-N 3.22Å; L583-P649 HydrophobicContact CB-CB 4.05Å; L583-P649 HydrophobicContact CB-CG 4.15Å
584	A	85.8	Confident	82.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.2	-47.1	173.6	0	0	0	0	0	111.6	L580 A581 M582 D586 S587 S590 P649 L653	L580-A584 WeakPolarHBondContact O-CB 3.37Å; L580-A584 PolarHBondContact O-N 3.17Å; A581-A584 WeakPolarHBondContact O-CB 3.47Å; A581-A584 PolarHBondContact O-N 2.77Å; M582-A584 PolarHBondContact O-N 3.43Å; A584-D586 PolarHBondContact O-N 2.99Å; A584-S587 VanDerWaalsContact O-CB 3.24Å; A584-S587 WeakPolarHBondContact O-CB 3.29Å; A584-S587 PolarHBondContact O-N 2.72Å; A584-S590 VanDerWaalsContact O-CB 3.3Å; A584-S590 WeakPolarHBondContact O-CB 3.34Å; A584-P649 HydrophobicContact CB-CB 4.05Å; A584-P649 VanDerWaalsContact CB-O 3.31Å; A584-P649 WeakPolarHBondContact CB-O 3.4Å; A584-L653 HydrophobicContact CB-CB 3.74Å; A584-L653 HydrophobicContact CB-CD2 3.92Å; A584-L653 HydrophobicContact CB-CG 4.42Å
585	L	85.8	Confident	81.8	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-69	-20.6	179.7	-64.7	171.8	0	0	0	113.2	A581 M582 W592 K599 L602 L653	A581-L585 WeakPolarHBondContact O-CG 3.45Å; A581-L585 PolarHBondContact O-N 2.91Å; M582-L585 PolarHBondContact O-N 3.32Å; M582-L585 VanDerWaalsContact O-N 3.16Å; L585-W592 HydrophobicContact CD2-CB 4.09Å; L585-W592 HydrophobicContact CD2-CG 4.19Å; L585-K599 HydrophobicContact CB-CD 4.06Å; L585-K599 HydrophobicContact CB-CG 4.17Å; L585-K599 HydrophobicContact CD1-CB 4.16Å; L585-K599 HydrophobicContact CD1-CG 4.42Å; L585-K599 VanDerWaalsContact O-CE 3.23Å; L585-K599 WeakPolarHBondContact O-CE 3.17Å; L585-K599 PolarHBondContact O-NZ 3.42Å; L585-L602 HydrophobicContact CD1-CB 4.07Å; L585-L602 HydrophobicContact CD1-CD2 3.95Å; L585-L602 HydrophobicContact CD1-CG 4.03Å; L585-L602 HydrophobicContact CD2-CD2 3.68Å; L585-L602 HydrophobicContact CD2-CG 4.48Å; L585-L602 HydrophobicContact CG-CD2 4.49Å; L585-L653 HydrophobicContact CD2-CD1 4.01Å; L585-L653 HydrophobicContact CD2-CD2 4.19Å
586	D	83.5	Confident	81	Confident	103 Å²	103	67.5 Å²	67.5	55%	0.551	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.1	168.3	-76.4	-15.8	0	0	0	113.7	M582 A584 K599	M582-D586 PolarHBondContact O-N 3.35Å; A584-D586 PolarHBondContact O-N 2.99Å; D586-K599 IonicContact OD1-NZ 3.83Å; D586-K599 PolarHBondContact OD1-NZ 3.01Å
587	S	81.6	Confident	80.4	Confident	35 Å²	35	66.4 Å²	66.4	25%	0.245	37%	0.366	C	S	.	.	S	Bend	trans	-78.4	134.6	173.9	-177.7	0	0	0	0	111.5	L583 A584 E589 S590	L583-S587 PolarHBondContact O-N 3.22Å; A584-S587 VanDerWaalsContact O-CB 3.24Å; A584-S587 WeakPolarHBondContact O-CB 3.29Å; A584-S587 PolarHBondContact O-N 2.72Å; S587-E589 PolarHBondContact O-N 3.04Å; S587-E589 VanDerWaalsContact O-N 3.16Å; S587-E589 PolarHBondContact OG-N 2.94Å; S587-S590 WeakPolarHBondContact O-CB 3.37Å; S587-S590 PolarHBondContact O-N 3.32Å; S587-S590 VanDerWaalsContact O-N 3.11Å; S587-S590 PolarHBondContact O-OG 3.5Å
588	P	73.5	Confident	80.2	Confident	128 Å²	128	70.8 Å²	70.8	83%	0.831	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-66.5	-12.4	173	29.9	-36.3	0	0	0	113.2	S590	P588-S590 VanDerWaalsContact C-N 3.27Å; P588-S590 PolarHBondContact O-N 3Å
589	E	69.8	Low	80	Confident	85 Å²	85	69 Å²	69	40%	0.397	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-79.1	-4.9	173.6	-60.6	-165.3	176.4	0	0	113.5	S587 L650 Q684 Y685	S587-E589 PolarHBondContact O-N 3.04Å; S587-E589 VanDerWaalsContact O-N 3.16Å; S587-E589 PolarHBondContact OG-N 2.94Å; E589-L650 HydrophobicContact CB-CD1 4.16Å; E589-L650 HydrophobicContact CB-CD2 3.91Å; E589-Q684 PolarHBondContact OE1-NE2 3.06Å; E589-Q684 PolarHBondContact OE2-NE2 3.48Å; E589-Y685 PolarHBondContact OE2-OH 3.31Å
590	S	75.2	Confident	79.8	Confident	33 Å²	33	70 Å²	70	23%	0.231	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-77.1	-26.6	176.2	62.3	0	0	0	0	114.3	A584 S587 P588 W592	A584-S590 VanDerWaalsContact O-CB 3.3Å; A584-S590 WeakPolarHBondContact O-CB 3.34Å; S587-S590 WeakPolarHBondContact O-CB 3.37Å; S587-S590 PolarHBondContact O-N 3.32Å; S587-S590 VanDerWaalsContact O-N 3.11Å; S587-S590 PolarHBondContact O-OG 3.5Å; P588-S590 VanDerWaalsContact C-N 3.27Å; P588-S590 PolarHBondContact O-N 3Å; S590-W592 PolarHBondContact O-N 3.29Å; S590-W592 PolarHBondContact OG-N 3.21Å
591	G	70	Confident	79.6	Confident	60 Å²	60	70.7 Å²	70.7	62%	0.619	40%	0.399	S	S	*	.			trans	73	2.2	-172.3	0	0	0	0	0	115.5
592	W	80	Confident	79.4	Confident	71 Å²	71	73 Å²	73	27%	0.269	41%	0.412	S	S	.	.			trans	-59.9	139.4	-179.9	175.5	90.2	0	0	0	112.4	L585 S590 E594 G597 K599	L585-W592 HydrophobicContact CD2-CB 4.09Å; L585-W592 HydrophobicContact CD2-CG 4.19Å; S590-W592 PolarHBondContact O-N 3.29Å; S590-W592 PolarHBondContact OG-N 3.21Å; W592-E594 HydrophobicContact CH2-CG 4.03Å; W592-E594 HydrophobicContact CZ3-CG 4.36Å; W592-G597 WeakPolarHBondContact CZ2-O 3.19Å; W592-G597 PolarHBondContact NE1-O 3.15Å; W592-G597 VanDerWaalsContact NE1-O 3.11Å; W592-K599 HydrophobicContact CD2-CG 4.25Å; W592-K599 HydrophobicContact CH2-CD 4.47Å; W592-K599 HydrophobicContact CH2-CG 4.23Å; W592-K599 HydrophobicContact CZ2-CD 4.42Å; W592-K599 HydrophobicContact CZ2-CG 3.73Å
593	T	72.4	Confident	79.4	Confident	63 Å²	63	71.3 Å²	71.3	39%	0.387	40%	0.403	S	S	.	.			trans	-126.1	163.3	176.4	72.7	0	0	0	0	111.3	E595 D596	T593-E595 PolarHBondContact O-N 3.26Å; T593-E595 VanDerWaalsContact O-N 3.07Å; T593-E595 PolarHBondContact OG1-N 3.46Å; T593-D596 WeakPolarHBondContact CA-OD2 3.35Å; T593-D596 WeakPolarHBondContact CB-OD2 3.46Å; T593-D596 PolarHBondContact N-OD2 2.97Å; T593-D596 PolarHBondContact O-N 3.37Å; T593-D596 PolarHBondContact OG1-OD2 2.96Å
594	E	71.6	Confident	79.5	Confident	181 Å²	181	72.3 Å²	72.3	85%	0.846	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12	174.7	-62.2	-175.2	165.8	0	0	113.4	W592	W592-E594 HydrophobicContact CH2-CG 4.03Å; W592-E594 HydrophobicContact CZ3-CG 4.36Å
595	E	69.4	Low	79.6	Confident	188 Å²	188	78.5 Å²	78.5	88%	0.879	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.4	174.5	-57.7	-168.5	175	0	0	112.7	T593 G597	T593-E595 PolarHBondContact O-N 3.26Å; T593-E595 VanDerWaalsContact O-N 3.07Å; T593-E595 PolarHBondContact OG1-N 3.46Å; E595-G597 VanDerWaalsContact C-N 3.29Å; E595-G597 PolarHBondContact O-N 3.27Å
596	D	71.6	Confident	79.8	Confident	98 Å²	98	78.3 Å²	78.3	52%	0.524	43%	0.428	S	S	.	.	S	Bend	trans	-80.1	-6.6	-177.4	-60	-66.7	0	0	0	113.8	T593	T593-D596 WeakPolarHBondContact CA-OD2 3.35Å; T593-D596 WeakPolarHBondContact CB-OD2 3.46Å; T593-D596 PolarHBondContact N-OD2 2.97Å; T593-D596 PolarHBondContact O-N 3.37Å; T593-D596 PolarHBondContact OG1-OD2 2.96Å
597	G	78.7	Confident	80.1	Confident	27 Å²	27	74.4 Å²	74.4	28%	0.278	41%	0.408	S	S	.	.			trans	96.3	177.9	177.3	0	0	0	0	0	115	W592 E595	W592-G597 WeakPolarHBondContact CZ2-O 3.19Å; W592-G597 PolarHBondContact NE1-O 3.15Å; W592-G597 VanDerWaalsContact NE1-O 3.11Å; E595-G597 VanDerWaalsContact C-N 3.29Å; E595-G597 PolarHBondContact O-N 3.27Å
598	P	85.3	Confident	80.5	Confident	92 Å²	92	79.8 Å²	79.8	60%	0.597	43%	0.429	S	S	*	.			trans	-66.6	133.4	-171.8	27.7	-34.9	0	0	0	112.1	E600 G601 L602	P598-E600 VanDerWaalsContact C-N 3.31Å; P598-E600 PolarHBondContact O-N 2.8Å; P598-G601 PolarHBondContact O-N 3.14Å; P598-L602 PolarHBondContact O-N 2.9Å; P598-L602 VanDerWaalsContact O-N 3.12Å
599	K	84.2	Confident	81.2	Confident	36 Å²	36	75.6 Å²	75.6	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-41	-174.9	-69.9	-174	170	-172.1	0	112.8	M582 L585 D586 W592 G601 L602 A603	M582-K599 HydrophobicContact CE-CB 4.03Å; M582-K599 HydrophobicContact SD-CB 3.97Å; L585-K599 HydrophobicContact CB-CD 4.06Å; L585-K599 HydrophobicContact CB-CG 4.17Å; L585-K599 HydrophobicContact CD1-CB 4.16Å; L585-K599 HydrophobicContact CD1-CG 4.42Å; L585-K599 VanDerWaalsContact O-CE 3.23Å; L585-K599 WeakPolarHBondContact O-CE 3.17Å; L585-K599 PolarHBondContact O-NZ 3.42Å; D586-K599 IonicContact OD1-NZ 3.83Å; D586-K599 PolarHBondContact OD1-NZ 3.01Å; W592-K599 HydrophobicContact CD2-CG 4.25Å; W592-K599 HydrophobicContact CH2-CD 4.47Å; W592-K599 HydrophobicContact CH2-CG 4.23Å; W592-K599 HydrophobicContact CZ2-CD 4.42Å; W592-K599 HydrophobicContact CZ2-CG 3.73Å; K599-G601 PolarHBondContact O-N 3.41Å; K599-L602 PolarHBondContact O-N 2.93Å; K599-A603 WeakPolarHBondContact O-CB 3.44Å; K599-A603 PolarHBondContact O-N 2.93Å
600	E	85.1	Confident	82.2	Confident	106 Å²	106	71.7 Å²	71.7	50%	0.495	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-44.1	-179.2	-56.7	85.4	167.9	0	0	111.1	M582 P598 A603 E604	M582-E600 HydrophobicContact CE-CG 4.12Å; M582-E600 HydrophobicContact SD-CG 4.37Å; P598-E600 VanDerWaalsContact C-N 3.31Å; P598-E600 PolarHBondContact O-N 2.8Å; E600-A603 PolarHBondContact O-N 3.38Å; E600-E604 WeakPolarHBondContact O-CG 3.27Å; E600-E604 PolarHBondContact O-N 3.15Å
601	G	84.3	Confident	82.9	Confident	32 Å²	32	73.9 Å²	73.9	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-69.4	-32.4	178	0	0	0	0	0	113.3	P598 K599 Y605	P598-G601 PolarHBondContact O-N 3.14Å; K599-G601 PolarHBondContact O-N 3.41Å; G601-Y605 WeakPolarHBondContact O-CB 3.44Å; G601-Y605 PolarHBondContact O-N 3.44Å
602	L	84.8	Confident	83.9	Confident	49 Å²	49	79.8 Å²	79.8	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-70.9	-39.4	172.8	-176.7	55.9	0	0	0	111.4	L585 P598 K599 Y605 I606	L585-L602 HydrophobicContact CD1-CB 4.07Å; L585-L602 HydrophobicContact CD1-CD2 3.95Å; L585-L602 HydrophobicContact CD1-CG 4.03Å; L585-L602 HydrophobicContact CD2-CD2 3.68Å; L585-L602 HydrophobicContact CD2-CG 4.48Å; L585-L602 HydrophobicContact CG-CD2 4.49Å; P598-L602 PolarHBondContact O-N 2.9Å; P598-L602 VanDerWaalsContact O-N 3.12Å; K599-L602 PolarHBondContact O-N 2.93Å; L602-Y605 HydrophobicContact CD1-CD1 4.47Å; L602-Y605 PolarHBondContact O-N 3.45Å; L602-I606 HydrophobicContact CD1-CD1 4.44Å; L602-I606 HydrophobicContact CG-CD1 4.18Å; L602-I606 WeakPolarHBondContact O-CD1 3.38Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.47Å; L602-I606 PolarHBondContact O-N 2.83Å
603	A	87.6	Confident	84.3	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-64.4	-43.8	173.4	0	0	0	0	0	112.1	F578 A581 M582 K599 E600 Y605 I606 V607	F578-A603 HydrophobicContact CD2-CB 3.71Å; F578-A603 HydrophobicContact CE2-CB 3.63Å; F578-A603 HydrophobicContact CZ-CB 4.44Å; A581-A603 HydrophobicContact CB-CB 3.81Å; M582-A603 HydrophobicContact CG-CB 3.92Å; M582-A603 HydrophobicContact SD-CB 3.8Å; K599-A603 WeakPolarHBondContact O-CB 3.44Å; K599-A603 PolarHBondContact O-N 2.93Å; E600-A603 PolarHBondContact O-N 3.38Å; A603-Y605 PolarHBondContact O-N 3.46Å; A603-I606 PolarHBondContact O-N 3.07Å; A603-V607 WeakPolarHBondContact O-CG2 3.34Å; A603-V607 PolarHBondContact O-N 3.16Å; A603-V607 VanDerWaalsContact O-N 3.1Å
604	E	89.2	Confident	85	Confident	125 Å²	125	77.2 Å²	77.2	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-47.4	172.1	-75.8	179.1	170.1	0	0	111.6	F578 E600 I606 V607 E608	F578-E604 HydrophobicContact CD2-CG 4.37Å; F578-E604 HydrophobicContact CE2-CG 4.02Å; E600-E604 WeakPolarHBondContact O-CG 3.27Å; E600-E604 PolarHBondContact O-N 3.15Å; E604-I606 PolarHBondContact O-N 3.06Å; E604-V607 PolarHBondContact O-N 3.23Å; E604-E608 PolarHBondContact O-N 2.88Å
605	Y	88.9	Confident	85.7	Confident	130 Å²	130	77.1 Å²	77.1	51%	0.51	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-44	177	174.2	-98.7	0	0	0	112.7	G601 L602 A603 V607 E608 F609	G601-Y605 WeakPolarHBondContact O-CB 3.44Å; G601-Y605 PolarHBondContact O-N 3.44Å; L602-Y605 HydrophobicContact CD1-CD1 4.47Å; L602-Y605 PolarHBondContact O-N 3.45Å; A603-Y605 PolarHBondContact O-N 3.46Å; Y605-V607 VanDerWaalsContact C-N 3.31Å; Y605-V607 PolarHBondContact O-N 3.29Å; Y605-E608 PolarHBondContact O-N 3.26Å; Y605-F609 HydrophobicContact CE1-CB 4.48Å; Y605-F609 WeakPolarHBondContact O-CB 3.43Å; Y605-F609 PolarHBondContact O-N 3.1Å
606	I	88.6	Confident	86.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-42.1	177.2	-70.6	162.2	0	0	0	110.8	A581 L602 A603 E604 L610 I652 L653 A656	A581-I606 HydrophobicContact CB-CB 4.46Å; A581-I606 HydrophobicContact CB-CD1 4.15Å; A581-I606 HydrophobicContact CB-CG2 4.27Å; L602-I606 HydrophobicContact CD1-CD1 4.44Å; L602-I606 HydrophobicContact CG-CD1 4.18Å; L602-I606 WeakPolarHBondContact O-CD1 3.38Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.47Å; L602-I606 PolarHBondContact O-N 2.83Å; A603-I606 PolarHBondContact O-N 3.07Å; E604-I606 PolarHBondContact O-N 3.06Å; I606-L610 HydrophobicContact CG2-CD1 3.87Å; I606-L610 HydrophobicContact CG2-CG 4.47Å; I606-L610 WeakPolarHBondContact O-CB 3.37Å; I606-L610 WeakPolarHBondContact O-CG 3.49Å; I606-L610 PolarHBondContact O-N 2.93Å; I606-I652 HydrophobicContact CG2-CG2 4.2Å; I606-L653 HydrophobicContact CD1-CD1 3.57Å; I606-A656 HydrophobicContact CB-CB 4.43Å; I606-A656 HydrophobicContact CG1-CB 3.9Å; I606-A656 HydrophobicContact CG2-CB 4.09Å
607	V	90.1	Very high	87.4	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-48.7	178	176.5	0	0	0	0	111.6	L577 F578 A603 E604 Y605 F609 K611	L577-V607 HydrophobicContact CB-CG2 3.84Å; F578-V607 HydrophobicContact CB-CG2 4.04Å; A603-V607 WeakPolarHBondContact O-CG2 3.34Å; A603-V607 PolarHBondContact O-N 3.16Å; A603-V607 VanDerWaalsContact O-N 3.1Å; E604-V607 PolarHBondContact O-N 3.23Å; Y605-V607 VanDerWaalsContact C-N 3.31Å; Y605-V607 PolarHBondContact O-N 3.29Å; V607-F609 VanDerWaalsContact C-N 3.33Å; V607-F609 PolarHBondContact O-N 3.05Å; V607-K611 HydrophobicContact CG1-CD 4.34Å; V607-K611 WeakPolarHBondContact O-CB 3.39Å; V607-K611 WeakPolarHBondContact O-CG 3.21Å; V607-K611 PolarHBondContact O-N 2.61Å
608	E	89.9	Confident	87.8	Confident	148 Å²	148	66.3 Å²	66.3	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-40.7	177.7	-69.8	-155.5	138.6	0	0	112.2	E604 Y605 K612	E604-E608 PolarHBondContact O-N 2.88Å; Y605-E608 PolarHBondContact O-N 3.26Å; E608-K612 WeakPolarHBondContact O-CB 3.46Å; E608-K612 PolarHBondContact O-N 2.59Å; E608-K612 VanDerWaalsContact O-N 3.08Å
609	F	89.6	Confident	87.8	Confident	41 Å²	41	65.5 Å²	65.5	18%	0.18	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-47.6	-180	-176.6	-90.2	0	0	0	112.1	Y605 V607 K612 K613 A656 W661	Y605-F609 HydrophobicContact CE1-CB 4.48Å; Y605-F609 WeakPolarHBondContact O-CB 3.43Å; Y605-F609 PolarHBondContact O-N 3.1Å; V607-F609 VanDerWaalsContact C-N 3.33Å; V607-F609 PolarHBondContact O-N 3.05Å; F609-K612 WeakPolarHBondContact O-CB 3.34Å; F609-K612 PolarHBondContact O-N 3.2Å; F609-K613 HydrophobicContact CE1-CG 4.45Å; F609-K613 PolarHBondContact O-N 2.96Å; F609-A656 HydrophobicContact CD1-CB 4.45Å; F609-W661 AromaticContact CE1-CD1 3.7Å; F609-W661 HydrophobicContact CE1-CD2 4.1Å; F609-W661 AromaticContact CE1-CE2 3.68Å; F609-W661 HydrophobicContact CE1-CG 4.09Å; F609-W661 HydrophobicContact CE1-CZ2 4.21Å; F609-W661 AromaticContact CE1-NE1 3.45Å; F609-W661 HydrophobicContact CZ-CB 4.23Å; F609-W661 AromaticContact CZ-CD1 3.51Å; F609-W661 HydrophobicContact CZ-CD2 4.11Å; F609-W661 AromaticContact CZ-CG 3.7Å; F609-W661 HydrophobicContact CZ-CG 3.7Å; F609-W661 AromaticContact CZ-NE1 3.79Å
610	L	89.1	Confident	87.8	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-68.6	-38	178.4	-68.6	175.5	0	0	0	112	I606 K612 K613 A614 L617 I625 I652 L655 W661	I606-L610 HydrophobicContact CG2-CD1 3.87Å; I606-L610 HydrophobicContact CG2-CG 4.47Å; I606-L610 WeakPolarHBondContact O-CB 3.37Å; I606-L610 WeakPolarHBondContact O-CG 3.49Å; I606-L610 PolarHBondContact O-N 2.93Å; L610-K612 VanDerWaalsContact C-N 3.3Å; L610-K612 PolarHBondContact O-N 3.01Å; L610-K613 CarbonylContact O-C 3.51Å; L610-K613 PolarHBondContact O-N 3.44Å; L610-A614 PolarHBondContact O-N 3.02Å; L610-L617 HydrophobicContact CD2-CD1 4.49Å; L610-I625 HydrophobicContact CB-CD1 4.19Å; L610-I652 HydrophobicContact CD1-CG2 3.92Å; L610-L655 HydrophobicContact CD2-CB 4.09Å; L610-W661 HydrophobicContact CD2-CZ2 4.5Å
611	K	90.1	Very high	87.8	Confident	80 Å²	80	61.5 Å²	61.5	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-55	-45.3	170.9	-80.4	-175.1	-178.3	-167.5	0	111.9	V607 K613 A614 E627 E628 G629	V607-K611 HydrophobicContact CG1-CD 4.34Å; V607-K611 WeakPolarHBondContact O-CB 3.39Å; V607-K611 WeakPolarHBondContact O-CG 3.21Å; V607-K611 PolarHBondContact O-N 2.61Å; K611-K613 PolarHBondContact O-N 3.14Å; K611-K613 VanDerWaalsContact O-N 3.12Å; K611-A614 WeakPolarHBondContact O-CB 3.47Å; K611-A614 PolarHBondContact O-N 3.11Å; K611-A614 VanDerWaalsContact O-N 3.14Å; K611-E627 WeakPolarHBondContact CE-O 3.41Å; K611-E627 PolarHBondContact NZ-O 3.44Å; K611-E628 WeakPolarHBondContact CE-O 3.18Å; K611-E628 PolarHBondContact NZ-O 3.37Å; K611-G629 VanDerWaalsContact CE-N 3.27Å
612	K	90.8	Very high	87.9	Confident	184 Å²	184	60.8 Å²	60.8	80%	0.8	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	177.8	-172.7	177.9	175.8	-174.4	0	113.8	E608 F609 L610	E608-K612 WeakPolarHBondContact O-CB 3.46Å; E608-K612 PolarHBondContact O-N 2.59Å; E608-K612 VanDerWaalsContact O-N 3.08Å; F609-K612 WeakPolarHBondContact O-CB 3.34Å; F609-K612 PolarHBondContact O-N 3.2Å; L610-K612 VanDerWaalsContact C-N 3.3Å; L610-K612 PolarHBondContact O-N 3.01Å
613	K	88.9	Confident	88	Confident	59 Å²	59	58.5 Å²	58.5	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-0.4	178.1	-60.8	-70	-165.8	163.8	0	113.4	F609 L610 K611 E615 M616 L617 W661	F609-K613 HydrophobicContact CE1-CG 4.45Å; F609-K613 PolarHBondContact O-N 2.96Å; L610-K613 CarbonylContact O-C 3.51Å; L610-K613 PolarHBondContact O-N 3.44Å; K611-K613 PolarHBondContact O-N 3.14Å; K611-K613 VanDerWaalsContact O-N 3.12Å; K613-E615 PolarHBondContact O-N 2.67Å; K613-M616 WeakPolarHBondContact O-CB 3.17Å; K613-M616 PolarHBondContact O-N 3.33Å; K613-M616 VanDerWaalsContact O-N 3.09Å; K613-L617 HydrophobicContact CB-CD1 4.37Å; K613-L617 PolarHBondContact O-N 3.32Å; K613-L617 VanDerWaalsContact O-N 3.12Å; K613-W661 HydrophobicContact CB-CH2 3.81Å; K613-W661 HydrophobicContact CB-CZ3 3.71Å; K613-W661 HydrophobicContact CD-CD2 4.35Å; K613-W661 HydrophobicContact CD-CE3 3.55Å; K613-W661 HydrophobicContact CD-CH2 4.4Å; K613-W661 HydrophobicContact CD-CZ3 3.55Å; K613-W661 HydrophobicContact CG-CD2 4.44Å; K613-W661 HydrophobicContact CG-CE3 3.88Å; K613-W661 HydrophobicContact CG-CH2 3.9Å; K613-W661 HydrophobicContact CG-CZ3 3.56Å
614	A	87.9	Confident	88.1	Confident	21 Å²	21	60.8 Å²	60.8	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-40.3	-170.7	0	0	0	0	0	114.3	L610 K611 M616 L617 A618 I625	L610-A614 PolarHBondContact O-N 3.02Å; K611-A614 WeakPolarHBondContact O-CB 3.47Å; K611-A614 PolarHBondContact O-N 3.11Å; K611-A614 VanDerWaalsContact O-N 3.14Å; A614-M616 VanDerWaalsContact C-N 3.29Å; A614-M616 PolarHBondContact O-N 2.88Å; A614-L617 PolarHBondContact O-N 3.03Å; A614-A618 WeakPolarHBondContact O-CB 3.49Å; A614-A618 PolarHBondContact O-N 3.17Å; A614-I625 HydrophobicContact CB-CB 4.17Å
615	E	86.6	Confident	88.1	Confident	178 Å²	178	56 Å²	56	83%	0.832	27%	0.268	S	S	*	.	H	α-helix	trans	-59.8	-38.5	177.2	-63.9	-173.1	149.9	0	0	112.6	K613 D619	K613-E615 PolarHBondContact O-N 2.67Å; E615-D619 PolarHBondContact O-N 2.88Å
616	M	89.4	Confident	88	Confident	42 Å²	42	52.9 Å²	52.9	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-45.3	178.2	-165.8	-69.5	-69.3	0	0	110.6	K613 A614 A618 D619 Y620 F621 W661 F668 L671	K613-M616 WeakPolarHBondContact O-CB 3.17Å; K613-M616 PolarHBondContact O-N 3.33Å; K613-M616 VanDerWaalsContact O-N 3.09Å; A614-M616 VanDerWaalsContact C-N 3.29Å; A614-M616 PolarHBondContact O-N 2.88Å; M616-A618 VanDerWaalsContact C-N 3.26Å; M616-A618 PolarHBondContact O-N 3.44Å; M616-D619 PolarHBondContact O-N 3.27Å; M616-Y620 HydrophobicContact CG-CD2 3.7Å; M616-Y620 HydrophobicContact CG-CE2 4.04Å; M616-Y620 WeakPolarHBondContact O-CD2 3.35Å; M616-Y620 PolarHBondContact O-N 2.95Å; M616-Y620 HydrophobicContact SD-CD2 3.52Å; M616-Y620 VanDerWaalsContact SD-CD2 3.52Å; M616-Y620 HydrophobicContact SD-CE2 4.33Å; M616-Y620 HydrophobicContact SD-CG 4.17Å; M616-F621 HydrophobicContact CE-CE2 4.49Å; M616-F621 HydrophobicContact SD-CD2 4.39Å; M616-F621 HydrophobicContact SD-CE2 4.33Å; M616-W661 HydrophobicContact CE-CE3 4.44Å; M616-W661 HydrophobicContact CE-CH2 4.07Å; M616-W661 HydrophobicContact CE-CZ3 3.49Å; M616-W661 VanDerWaalsContact CE-CZ3 3.49Å; M616-F668 HydrophobicContact SD-CE1 4.31Å; M616-L671 HydrophobicContact CE-CD1 4.11Å
617	L	87.3	Confident	87.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-37.7	176.2	-70.4	171.1	0	0	0	112.1	L610 K613 A614 F621 S622 L623 I625 W661 L671	L610-L617 HydrophobicContact CD2-CD1 4.49Å; K613-L617 HydrophobicContact CB-CD1 4.37Å; K613-L617 PolarHBondContact O-N 3.32Å; K613-L617 VanDerWaalsContact O-N 3.12Å; A614-L617 PolarHBondContact O-N 3.03Å; L617-F621 CarbonylContact O-C 3.29Å; L617-F621 VanDerWaalsContact O-C 3.29Å; L617-F621 WeakPolarHBondContact O-CA 3.46Å; L617-F621 WeakPolarHBondContact O-CB 3.48Å; L617-F621 PolarHBondContact O-N 3.37Å; L617-F621 VanDerWaalsContact O-N 3.11Å; L617-S622 PolarHBondContact O-N 3.37Å; L617-L623 CarbonylContact C-O 3.52Å; L617-L623 HydrophobicContact CB-CB 4.31Å; L617-L623 HydrophobicContact CB-CD2 4.44Å; L617-L623 HydrophobicContact CD1-CD2 4.46Å; L617-L623 PolarHBondContact O-N 2.67Å; L617-L623 VanDerWaalsContact O-N 3.11Å; L617-I625 HydrophobicContact CD1-CD1 3.85Å; L617-W661 HydrophobicContact CD2-CH2 4.14Å; L617-W661 HydrophobicContact CG-CH2 4.41Å; L617-L671 HydrophobicContact CD2-CD1 3.79Å
618	A	86.7	Confident	87.1	Confident	44 Å²	44	67.7 Å²	67.7	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-71.6	-50.6	175.7	0	0	0	0	0	112.9	A614 M616 S622 L623	A614-A618 WeakPolarHBondContact O-CB 3.49Å; A614-A618 PolarHBondContact O-N 3.17Å; M616-A618 VanDerWaalsContact C-N 3.26Å; M616-A618 PolarHBondContact O-N 3.44Å; A618-S622 WeakPolarHBondContact O-CA 3.35Å; A618-S622 PolarHBondContact O-N 2.89Å; A618-L623 PolarHBondContact N-O 3.07Å
619	D	84.2	Confident	86.8	Confident	75 Å²	75	60.8 Å²	60.8	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-33.6	-174.4	-167.3	50.9	0	0	0	113.5	R494 A564 E615 M616	R494-D619 IonicContact CZ-OD1 3.94Å; R494-D619 IonicContact CZ-OD2 3.58Å; R494-D619 VanDerWaalsContact CZ-OD2 3.31Å; R494-D619 IonicContact NH1-OD1 2.57Å; R494-D619 PolarHBondContact NH1-OD1 2.93Å; R494-D619 IonicContact NH1-OD2 3.76Å; R494-D619 PolarHBondContact NH1-OD2 3.02Å; R494-D619 IonicContact NH2-OD1 3.89Å; R494-D619 IonicContact NH2-OD2 2.87Å; R494-D619 PolarHBondContact NH2-OD2 3.32Å; A564-D619 WeakPolarHBondContact CB-O 3.46Å; E615-D619 PolarHBondContact O-N 2.88Å; M616-D619 PolarHBondContact O-N 3.27Å
620	Y	85.3	Confident	86.7	Confident	59 Å²	59	60.1 Å²	60.1	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-102.9	-32.1	-175.4	-66.5	-74.8	0	0	0	114.9	L498 F563 A564 F566 M616	L498-Y620 HydrophobicContact CD1-CE1 4.12Å; F563-Y620 HydrophobicContact CD1-CD1 4.33Å; F563-Y620 AromaticContact CE1-CD1 3.42Å; F563-Y620 HydrophobicContact CE1-CD1 3.42Å; F563-Y620 VanDerWaalsContact CE1-CD1 3.42Å; F563-Y620 HydrophobicContact CE1-CE1 4.04Å; F563-Y620 HydrophobicContact CE1-CG 4.26Å; F563-Y620 AromaticContact CZ-CD1 3.8Å; F563-Y620 HydrophobicContact CZ-CD1 3.8Å; F563-Y620 HydrophobicContact CZ-CG 4.21Å; A564-Y620 WeakPolarHBondContact CA-O 3.37Å; A564-Y620 HydrophobicContact CB-CD1 4.18Å; A564-Y620 PolarHBondContact N-O 3.01Å; F566-Y620 WeakPolarHBondContact CE2-O 3.21Å; M616-Y620 HydrophobicContact CG-CD2 3.7Å; M616-Y620 HydrophobicContact CG-CE2 4.04Å; M616-Y620 WeakPolarHBondContact O-CD2 3.35Å; M616-Y620 PolarHBondContact O-N 2.95Å; M616-Y620 HydrophobicContact SD-CD2 3.52Å; M616-Y620 VanDerWaalsContact SD-CD2 3.52Å; M616-Y620 HydrophobicContact SD-CE2 4.33Å; M616-Y620 HydrophobicContact SD-CG 4.17Å
621	F	85.1	Confident	86.7	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-122.3	2.4	-174.2	-66.5	-82.6	0	0	0	114.1	L559 F563 F566 M616 L617 L623 P635 F668 L671	L559-F621 HydrophobicContact CD2-CD1 4.11Å; L559-F621 HydrophobicContact CD2-CE1 4.37Å; F563-F621 HydrophobicContact CD2-CE1 4.34Å; F563-F621 HydrophobicContact CD2-CZ 4.31Å; F563-F621 HydrophobicContact CE2-CE1 4.02Å; F563-F621 HydrophobicContact CE2-CE2 4.05Å; F563-F621 AromaticContact CE2-CZ 3.55Å; F563-F621 HydrophobicContact CE2-CZ 3.55Å; F563-F621 HydrophobicContact CZ-CZ 4.4Å; F566-F621 HydrophobicContact CE2-CD1 4.28Å; M616-F621 HydrophobicContact CE-CE2 4.49Å; M616-F621 HydrophobicContact SD-CD2 4.39Å; M616-F621 HydrophobicContact SD-CE2 4.33Å; L617-F621 CarbonylContact O-C 3.29Å; L617-F621 VanDerWaalsContact O-C 3.29Å; L617-F621 WeakPolarHBondContact O-CA 3.46Å; L617-F621 WeakPolarHBondContact O-CB 3.48Å; L617-F621 PolarHBondContact O-N 3.37Å; L617-F621 VanDerWaalsContact O-N 3.11Å; F621-L623 PolarHBondContact O-N 3.15Å; F621-L623 VanDerWaalsContact O-N 3.12Å; F621-P635 WeakPolarHBondContact O-CB 3.25Å; F621-F668 HydrophobicContact CE2-CD1 4.3Å; F621-F668 HydrophobicContact CZ-CD1 4.44Å; F621-L671 HydrophobicContact CD1-CD2 3.88Å; F621-L671 HydrophobicContact CD2-CD1 4.34Å; F621-L671 HydrophobicContact CD2-CD2 3.95Å; F621-L671 HydrophobicContact CE1-CD2 3.82Å; F621-L671 HydrophobicContact CE2-CD1 4.07Å; F621-L671 HydrophobicContact CE2-CD2 3.89Å; F621-L671 HydrophobicContact CE2-CG 4.44Å; F621-L671 HydrophobicContact CG-CD2 3.94Å; F621-L671 HydrophobicContact CZ-CB 4.38Å; F621-L671 HydrophobicContact CZ-CD2 3.81Å; F621-L671 HydrophobicContact CZ-CG 4.47Å
622	S	85.9	Confident	86.6	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.119	29%	0.288	C	S	.	.			trans	55.5	29.4	177.8	-50.2	0	0	0	0	113.6	F566 L617 A618	F566-S622 PolarHBondContact O-OG 2.81Å; L617-S622 PolarHBondContact O-N 3.37Å; A618-S622 WeakPolarHBondContact O-CA 3.35Å; A618-S622 PolarHBondContact O-N 2.89Å
623	L	87.5	Confident	86.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.25	C	S	.	.			trans	-97.9	109.5	178.1	-170.5	165.8	0	0	0	108	L617 A618 F621 I625 L631 G633 L634 F651 L655	L617-L623 CarbonylContact C-O 3.52Å; L617-L623 HydrophobicContact CB-CB 4.31Å; L617-L623 HydrophobicContact CB-CD2 4.44Å; L617-L623 HydrophobicContact CD1-CD2 4.46Å; L617-L623 PolarHBondContact O-N 2.67Å; L617-L623 VanDerWaalsContact O-N 3.11Å; A618-L623 PolarHBondContact N-O 3.07Å; F621-L623 PolarHBondContact O-N 3.15Å; F621-L623 VanDerWaalsContact O-N 3.12Å; L623-I625 HydrophobicContact CD2-CD1 3.89Å; L623-I625 HydrophobicContact CD2-CG1 3.64Å; L623-L631 HydrophobicContact CD2-CD1 3.5Å; L623-L631 VanDerWaalsContact CD2-CD1 3.5Å; L623-L631 HydrophobicContact CG-CD1 4.12Å; L623-G633 CarbonylContact C-O 3.57Å; L623-G633 WeakPolarHBondContact CA-O 3.36Å; L623-L634 HydrophobicContact CD1-CD2 4.45Å; L623-L634 HydrophobicContact CG-CD2 4.43Å; L623-F651 HydrophobicContact CD1-CE1 4.29Å; L623-F651 HydrophobicContact CD1-CZ 4.38Å; L623-L655 HydrophobicContact CD1-CD1 4.17Å
624	E	89.1	Confident	86.5	Confident	48 Å²	48	46.9 Å²	46.9	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.7	-172.7	-58.4	-178.9	142.1	0	0	110.4	V568 R570 I632 G633	V568-E624 HydrophobicContact CG1-CG 4.22Å; R570-E624 IonicContact CZ-OE1 3.75Å; R570-E624 IonicContact CZ-OE2 2.66Å; R570-E624 VanDerWaalsContact CZ-OE2 3.28Å; R570-E624 IonicContact NE-OE1 3.81Å; R570-E624 IonicContact NE-OE2 2.76Å; R570-E624 PolarHBondContact NE-OE2 3.41Å; R570-E624 VanDerWaalsContact NH2-CD 3.31Å; R570-E624 IonicContact NH2-OE1 2.86Å; R570-E624 PolarHBondContact NH2-OE1 2.8Å; R570-E624 IonicContact NH2-OE2 3.53Å; R570-E624 PolarHBondContact NH2-OE2 3.07Å; E624-I632 HydrophobicContact CB-CB 4.26Å; E624-I632 PolarHBondContact O-N 2.87Å; E624-G633 PolarHBondContact N-O 3.32Å; E624-G633 PolarHBondContact O-N 3.5Å
625	I	89.1	Confident	86.5	Confident	25 Å²	25	45.9 Å²	45.9	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.3	172.8	-57.6	171.5	0	0	0	108.5	L577 L610 A614 L617 L623 N630 L631	L577-I625 HydrophobicContact CD1-CD1 4.09Å; L577-I625 HydrophobicContact CD1-CG1 4.32Å; L577-I625 HydrophobicContact CD1-CG2 3.66Å; L610-I625 HydrophobicContact CB-CD1 4.19Å; A614-I625 HydrophobicContact CB-CB 4.17Å; L617-I625 HydrophobicContact CD1-CD1 3.85Å; L623-I625 HydrophobicContact CD2-CD1 3.89Å; L623-I625 HydrophobicContact CD2-CG1 3.64Å; I625-N630 WeakPolarHBondContact CA-O 3.43Å; I625-L631 HydrophobicContact CG1-CD1 4.19Å
626	D	86.4	Confident	86.4	Confident	63 Å²	63	39.5 Å²	39.5	34%	0.337	20%	0.201	S	C	.	.			trans	-82.8	161	-178.3	-152.3	-8.4	0	0	0	113.5	E628 G629 N630 I632	D626-E628 PolarHBondContact O-N 3.17Å; D626-G629 PolarHBondContact O-N 3.33Å; D626-N630 HydrophobicContact CB-CB 4.43Å; D626-N630 PolarHBondContact N-O 2.85Å; D626-I632 HydrophobicContact CB-CD1 3.71Å; D626-I632 HydrophobicContact CB-CG1 4.35Å
627	E	81.6	Confident	86.3	Confident	183 Å²	183	37.7 Å²	37.7	86%	0.855	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.7	175.1	-66.7	-172.3	-175.6	0	0	111.8	K611 G629	K611-E627 WeakPolarHBondContact CE-O 3.41Å; K611-E627 PolarHBondContact NZ-O 3.44Å; E627-G629 VanDerWaalsContact C-N 3.31Å; E627-G629 PolarHBondContact O-N 3.26Å
628	E	79.8	Confident	86.1	Confident	152 Å²	152	38.3 Å²	38.3	71%	0.71	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.3	175.5	-65.2	-168.5	165.4	0	0	113	K611 D626 N630	K611-E628 WeakPolarHBondContact CE-O 3.18Å; K611-E628 PolarHBondContact NZ-O 3.37Å; D626-E628 PolarHBondContact O-N 3.17Å; E628-N630 PolarHBondContact OE2-ND2 3.31Å
629	G	82.6	Confident	85.6	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	103.2	23.6	-176.5	0	0	0	0	0	114.5	L577 K611 D626 E627	L577-G629 VanDerWaalsContact CB-O 3.29Å; L577-G629 WeakPolarHBondContact CB-O 3.43Å; L577-G629 VanDerWaalsContact CG-O 3.29Å; L577-G629 WeakPolarHBondContact CG-O 3.31Å; L577-G629 PolarHBondContact N-O 2.96Å; K611-G629 VanDerWaalsContact CE-N 3.27Å; D626-G629 PolarHBondContact O-N 3.33Å; E627-G629 VanDerWaalsContact C-N 3.31Å; E627-G629 PolarHBondContact O-N 3.26Å
630	N	88.1	Confident	85.2	Confident	27 Å²	27	42.3 Å²	42.3	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.1	175.7	-54.3	-47.9	0	0	0	109.7	P574 A575 P576 I625 D626 E628	P574-N630 HydrophobicContact CB-CB 3.62Å; A575-N630 CarbonylContact O-C 3.59Å; A575-N630 WeakPolarHBondContact O-CA 3.38Å; P576-N630 WeakPolarHBondContact CA-OD1 3.44Å; I625-N630 WeakPolarHBondContact CA-O 3.43Å; D626-N630 HydrophobicContact CB-CB 4.43Å; D626-N630 PolarHBondContact N-O 2.85Å; E628-N630 PolarHBondContact OE2-ND2 3.31Å
631	L	88.6	Confident	85.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126	168.5	-175.6	71.7	0	0	0	109.1	L571 P574 A575 L577 L623 I625 L634 L648 I652	L571-L631 HydrophobicContact CD1-CD2 4.13Å; L571-L631 HydrophobicContact CD1-CG 4.24Å; P574-L631 WeakPolarHBondContact CA-O 3.38Å; A575-L631 HydrophobicContact CB-CB 4.47Å; A575-L631 PolarHBondContact N-O 3.39Å; A575-L631 PolarHBondContact O-N 3.49Å; L577-L631 HydrophobicContact CD2-CB 4.12Å; L623-L631 HydrophobicContact CD2-CD1 3.5Å; L623-L631 VanDerWaalsContact CD2-CD1 3.5Å; L623-L631 HydrophobicContact CG-CD1 4.12Å; I625-L631 HydrophobicContact CG1-CD1 4.19Å; L631-L634 HydrophobicContact CD2-CD1 4.48Å; L631-L634 HydrophobicContact CD2-CD2 4.06Å; L631-L634 HydrophobicContact CD2-CG 4.19Å; L631-L648 HydrophobicContact CD2-CD1 3.85Å; L631-L648 HydrophobicContact CD2-CD2 4.15Å; L631-L648 HydrophobicContact CD2-CG 4.47Å; L631-I652 HydrophobicContact CD2-CD1 4.46Å
632	I	88.6	Confident	85.1	Confident	46 Å²	46	44.3 Å²	44.3	24%	0.236	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-38.7	179.4	-66.2	176.9	0	0	0	111.2	R570 L571 P574 E624 D626	R570-I632 WeakPolarHBondContact CA-O 3.36Å; L571-I632 PolarHBondContact N-O 3.49Å; P574-I632 HydrophobicContact CB-CG1 4.37Å; E624-I632 HydrophobicContact CB-CB 4.26Å; E624-I632 PolarHBondContact O-N 2.87Å; D626-I632 HydrophobicContact CB-CD1 3.71Å; D626-I632 HydrophobicContact CB-CG1 4.35Å
633	G	86.8	Confident	85.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.3	-169	0	0	0	0	0	113.7	L569 L623 E624	L569-G633 WeakPolarHBondContact O-CA 3.46Å; L623-G633 CarbonylContact C-O 3.57Å; L623-G633 WeakPolarHBondContact CA-O 3.36Å; E624-G633 PolarHBondContact N-O 3.32Å; E624-G633 PolarHBondContact O-N 3.5Å
634	L	89.6	Confident	84.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.7	176.4	-75	169.1	0	0	0	110.3	L569 L571 L623 L631 L636 L648 F651 F678	L569-L634 WeakPolarHBondContact CB-O 3.24Å; L569-L634 PolarHBondContact N-O 3.47Å; L569-L634 PolarHBondContact O-N 2.94Å; L571-L634 HydrophobicContact CD2-CD1 4.45Å; L623-L634 HydrophobicContact CD1-CD2 4.45Å; L623-L634 HydrophobicContact CG-CD2 4.43Å; L631-L634 HydrophobicContact CD2-CD1 4.48Å; L631-L634 HydrophobicContact CD2-CD2 4.06Å; L631-L634 HydrophobicContact CD2-CG 4.19Å; L634-L636 PolarHBondContact O-N 2.9Å; L634-L648 HydrophobicContact CD1-CD1 4.22Å; L634-L648 HydrophobicContact CD2-CD1 4.45Å; L634-F651 HydrophobicContact CD2-CE1 4.17Å; L634-F678 HydrophobicContact CD1-CE1 4.17Å; L634-F678 HydrophobicContact CD1-CZ 4.39Å; L634-F678 HydrophobicContact CD2-CE1 4.29Å
635	P	87.9	Confident	84.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.9	178.9	15.5	-25.9	0	0	0	113.7	F566 F621 L637 Y679	F566-P635 HydrophobicContact CB-CB 4.32Å; F566-P635 HydrophobicContact CD2-CB 4.49Å; F566-P635 HydrophobicContact CG-CB 4.38Å; F621-P635 WeakPolarHBondContact O-CB 3.25Å; P635-L637 HydrophobicContact CB-CD2 3.89Å; P635-L637 HydrophobicContact CB-CG 4.32Å; P635-L637 PolarHBondContact O-N 3.28Å; P635-Y679 WeakPolarHBondContact CD-OH 3.31Å; P635-Y679 HydrophobicContact CG-CE2 4.42Å; P635-Y679 VanDerWaalsContact O-CE1 3.3Å; P635-Y679 WeakPolarHBondContact O-CE1 3.44Å; P635-Y679 VanDerWaalsContact O-CZ 3.26Å; P635-Y679 PolarHBondContact O-OH 2.98Å
636	L	85.9	Confident	84.4	Confident	45 Å²	45	49.8 Å²	49.8	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	92.4	169.7	-175.5	65.9	0	0	0	109.6	G567 L569 L634	G567-L636 PolarHBondContact O-N 3.21Å; L569-L636 HydrophobicContact CB-CB 4.48Å; L569-L636 HydrophobicContact CD1-CD1 4.48Å; L634-L636 PolarHBondContact O-N 2.9Å
637	L	85.6	Confident	84.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.242	C	C	.	.			trans	-80.5	-29.9	-176.6	-58.2	-176.3	0	0	0	114.2	A487 F555 I558 L559 F566 P635 Y679	A487-L637 WeakPolarHBondContact CB-O 3.27Å; F555-L637 HydrophobicContact CB-CD1 4.21Å; F555-L637 HydrophobicContact CD1-CB 4.08Å; F555-L637 HydrophobicContact CD1-CD1 3.7Å; F555-L637 HydrophobicContact CE1-CB 4.31Å; F555-L637 HydrophobicContact CG-CD1 4.29Å; I558-L637 HydrophobicContact CG2-CB 4.21Å; I558-L637 HydrophobicContact CG2-CD2 4.34Å; L559-L637 HydrophobicContact CD1-CD1 4.13Å; L559-L637 HydrophobicContact CD2-CD1 4.21Å; L559-L637 HydrophobicContact CD2-CD2 3.68Å; L559-L637 HydrophobicContact CG-CD1 4Å; L559-L637 HydrophobicContact CG-CD2 4.04Å; F566-L637 HydrophobicContact CD1-CD2 3.55Å; F566-L637 HydrophobicContact CE1-CD2 3.73Å; F566-L637 HydrophobicContact CG-CD2 4.16Å; F566-L637 HydrophobicContact CZ-CD2 4.45Å; P635-L637 HydrophobicContact CB-CD2 3.89Å; P635-L637 HydrophobicContact CB-CG 4.32Å; P635-L637 PolarHBondContact O-N 3.28Å; L637-Y679 HydrophobicContact CB-CD1 4.47Å; L637-Y679 HydrophobicContact CB-CE1 4.47Å; L637-Y679 HydrophobicContact CD1-CD1 3.72Å; L637-Y679 HydrophobicContact CD1-CD2 4.48Å; L637-Y679 HydrophobicContact CD1-CE1 4Å; L637-Y679 HydrophobicContact CD1-CG 3.99Å; L637-Y679 HydrophobicContact CG-CD1 4.13Å; L637-Y679 HydrophobicContact CG-CE1 3.98Å
638	I	83.9	Confident	84.6	Confident	13 Å²	13	38.9 Å²	38.9	7%	0.067	20%	0.204	C	C	.	.	S	Bend	trans	-143.2	132.2	-179.8	-57.5	178.7	0	0	0	109.5	A487 L554 F555 I558 N640 Y641 I714 A718	A487-I638 HydrophobicContact CB-CG1 4.31Å; L554-I638 HydrophobicContact CD2-CD1 4.01Å; F555-I638 HydrophobicContact CD1-CD1 4.29Å; F555-I638 HydrophobicContact CE1-CD1 3.47Å; F555-I638 VanDerWaalsContact CE1-CD1 3.47Å; F555-I638 HydrophobicContact CE1-CG1 3.92Å; F555-I638 HydrophobicContact CZ-CD1 4Å; I558-I638 HydrophobicContact CD1-CD1 3.88Å; I558-I638 HydrophobicContact CD1-CG1 3.81Å; I638-N640 PolarHBondContact O-N 3.28Å; I638-Y641 WeakPolarHBondContact O-CB 3.22Å; I638-Y641 PolarHBondContact O-N 2.92Å; I638-I714 HydrophobicContact CG2-CG2 3.65Å; I638-A718 HydrophobicContact CD1-CB 3.9Å
639	D	76.4	Confident	85.1	Confident	77 Å²	77	32.7 Å²	32.7	41%	0.412	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	124.6	177.1	-74.7	-14.1	0	0	0	112.4	Y641	D639-Y641 VanDerWaalsContact C-N 3.26Å; D639-Y641 PolarHBondContact O-N 2.8Å
640	N	76.6	Confident	85.3	Confident	126 Å²	126	33.2 Å²	33.2	67%	0.674	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	10.6	-178	-48.1	-104.9	0	0	0	115.8	I638 I714	I638-N640 PolarHBondContact O-N 3.28Å; N640-I714 HydrophobicContact CB-CD1 4.21Å; N640-I714 VanDerWaalsContact O-CD1 3.3Å; N640-I714 WeakPolarHBondContact O-CD1 3.45Å
641	Y	83.1	Confident	85.4	Confident	12 Å²	12	32.1 Å²	32.1	5%	0.047	17%	0.173	C	C	.	.			trans	-87.1	142.1	166.6	-167.9	-113.7	0	0	0	110.9	F555 I638 D639 P643 Y679 T710 I714 I715	F555-Y641 HydrophobicContact CE1-CD1 4.03Å; F555-Y641 HydrophobicContact CE1-CE1 4.06Å; F555-Y641 AromaticContact CE2-CE1 3.94Å; F555-Y641 HydrophobicContact CE2-CE1 3.94Å; F555-Y641 AromaticContact CZ-CD1 3.68Å; F555-Y641 HydrophobicContact CZ-CD1 3.68Å; F555-Y641 AromaticContact CZ-CE1 3.33Å; F555-Y641 HydrophobicContact CZ-CE1 3.33Å; F555-Y641 HydrophobicContact CZ-CG 4.38Å; F555-Y641 AromaticContact CZ-CZ 3.81Å; I638-Y641 WeakPolarHBondContact O-CB 3.22Å; I638-Y641 PolarHBondContact O-N 2.92Å; D639-Y641 VanDerWaalsContact C-N 3.26Å; D639-Y641 PolarHBondContact O-N 2.8Å; Y641-P643 HydrophobicContact CE1-CB 4.42Å; Y641-Y679 HydrophobicContact CD1-CD1 4.18Å; Y641-Y679 HydrophobicContact CE1-CD1 4.12Å; Y641-Y679 WeakPolarHBondContact CE1-O 3.29Å; Y641-Y679 PolarHBondContact OH-O 2.81Å; Y641-T710 HydrophobicContact CD2-CG2 3.79Å; Y641-T710 HydrophobicContact CE2-CG2 3.8Å; Y641-I714 HydrophobicContact CD2-CG2 4.32Å; Y641-I715 HydrophobicContact CD2-CD1 3.98Å; Y641-I715 HydrophobicContact CE2-CD1 3.7Å; Y641-I715 HydrophobicContact CE2-CG1 4.21Å
642	V	83.7	Confident	85.5	Confident	89 Å²	89	32.2 Å²	32.2	54%	0.539	17%	0.173	S	C	.	.			trans	-130.3	125.7	169.3	-177.5	0	0	0	0	106	L569	L569-V642 HydrophobicContact CD1-CB 4.49Å; L569-V642 HydrophobicContact CD1-CG1 4.27Å; L569-V642 HydrophobicContact CD1-CG2 4.24Å
643	P	85.5	Confident	85.5	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.019	17%	0.165	C	C	.	.			trans	-68.5	157.4	176.9	31.3	-36.4	0	0	0	110.9	Y641 L645 F678 Y679	Y641-P643 HydrophobicContact CE1-CB 4.42Å; P643-L645 HydrophobicContact CG-CD2 4.48Å; P643-L645 PolarHBondContact O-N 3.19Å; P643-F678 HydrophobicContact CB-CE1 4.26Å; P643-F678 HydrophobicContact CB-CE2 4.44Å; P643-F678 HydrophobicContact CB-CZ 4.11Å; P643-F678 HydrophobicContact CG-CE1 3.98Å; P643-F678 HydrophobicContact CG-CZ 3.92Å; P643-Y679 HydrophobicContact CB-CD1 4.04Å; P643-Y679 HydrophobicContact CB-CD2 4.18Å; P643-Y679 HydrophobicContact CB-CE1 4.25Å; P643-Y679 HydrophobicContact CB-CE2 4.37Å; P643-Y679 HydrophobicContact CB-CG 4Å; P643-Y679 HydrophobicContact CG-CD1 4.24Å; P643-Y679 HydrophobicContact CG-CD2 4.45Å; P643-Y679 HydrophobicContact CG-CE1 3.93Å; P643-Y679 HydrophobicContact CG-CE2 4.15Å; P643-Y679 HydrophobicContact CG-CG 4.49Å
644	P	84.2	Confident	85.6	Confident	20 Å²	20	34 Å²	34	13%	0.13	18%	0.178	C	C	.	.			trans	-65.6	107.4	174.6	26.8	-32.7	0	0	0	110.6	E646 G647 F678 Y685	P644-E646 VanDerWaalsContact C-OE2 3.31Å; P644-E646 WeakPolarHBondContact CA-OE2 3.2Å; P644-E646 PolarHBondContact O-N 2.85Å; P644-G647 PolarHBondContact O-N 3.43Å; P644-G647 VanDerWaalsContact O-N 3.1Å; P644-F678 WeakPolarHBondContact O-CE2 3.45Å; P644-Y685 HydrophobicContact CB-CG 4.44Å
645	L	85.3	Confident	85.6	Confident	75 Å²	75	34 Å²	34	39%	0.393	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.5	-16.5	-174.5	-60.4	-179.5	0	0	0	112.7	P643 G647 L648	P643-L645 HydrophobicContact CG-CD2 4.48Å; P643-L645 PolarHBondContact O-N 3.19Å; L645-G647 PolarHBondContact O-N 3.46Å; L645-L648 WeakPolarHBondContact O-CB 3.26Å; L645-L648 PolarHBondContact O-N 3.33Å
646	E	83.3	Confident	85.6	Confident	109 Å²	109	35 Å²	35	51%	0.509	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-60.1	-26.1	171.2	-58.6	81.5	178.1	0	0	112.4	P644 Y685	P644-E646 VanDerWaalsContact C-OE2 3.31Å; P644-E646 WeakPolarHBondContact CA-OE2 3.2Å; P644-E646 PolarHBondContact O-N 2.85Å; E646-Y685 HydrophobicContact CB-CD1 3.62Å; E646-Y685 HydrophobicContact CB-CE1 4.4Å; E646-Y685 HydrophobicContact CB-CG 4.27Å
647	G	83.7	Confident	85.6	Confident	6 Å²	6	36.4 Å²	36.4	6%	0.062	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-83.2	-6	174.2	0	0	0	0	0	114.8	P644 L645 L650 F651	P644-G647 PolarHBondContact O-N 3.43Å; P644-G647 VanDerWaalsContact O-N 3.1Å; L645-G647 PolarHBondContact O-N 3.46Å; G647-L650 PolarHBondContact O-N 3.48Å; G647-F651 PolarHBondContact O-N 3.45Å; G647-F651 VanDerWaalsContact O-N 3.11Å
648	L	88.4	Confident	85.7	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-41.6	-173.7	-175.1	66.3	0	0	0	114.1	L580 L631 L634 L645 L650 F651 I652 F678	L580-L648 HydrophobicContact CD1-CD2 3.96Å; L580-L648 HydrophobicContact CD1-CG 4.12Å; L580-L648 HydrophobicContact CD2-CD2 4.13Å; L580-L648 HydrophobicContact CD2-CG 4.21Å; L631-L648 HydrophobicContact CD2-CD1 3.85Å; L631-L648 HydrophobicContact CD2-CD2 4.15Å; L631-L648 HydrophobicContact CD2-CG 4.47Å; L634-L648 HydrophobicContact CD1-CD1 4.22Å; L634-L648 HydrophobicContact CD2-CD1 4.45Å; L645-L648 WeakPolarHBondContact O-CB 3.26Å; L645-L648 PolarHBondContact O-N 3.33Å; L648-L650 PolarHBondContact O-N 2.92Å; L648-F651 HydrophobicContact CD1-CD1 4.11Å; L648-F651 PolarHBondContact O-N 3.25Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 3.21Å; L648-I652 VanDerWaalsContact O-N 3.08Å; L648-F678 HydrophobicContact CB-CE2 4.2Å; L648-F678 HydrophobicContact CB-CZ 4.26Å; L648-F678 HydrophobicContact CD1-CE1 4.19Å; L648-F678 HydrophobicContact CD1-CE2 4.42Å; L648-F678 HydrophobicContact CD1-CZ 3.81Å
649	P	88.8	Confident	85.9	Confident	22 Å²	22	41.6 Å²	41.6	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-51.6	175.2	-27.5	36.8	0	0	0	112.3	L580 L583 A584 F651 I652 L653	L580-P649 HydrophobicContact CD2-CG 3.96Å; L580-P649 WeakPolarHBondContact O-CB 3.31Å; L583-P649 HydrophobicContact CB-CB 4.05Å; L583-P649 HydrophobicContact CB-CG 4.15Å; A584-P649 HydrophobicContact CB-CB 4.05Å; A584-P649 VanDerWaalsContact CB-O 3.31Å; A584-P649 WeakPolarHBondContact CB-O 3.4Å; P649-F651 VanDerWaalsContact C-N 3.3Å; P649-F651 PolarHBondContact O-N 3.12Å; P649-I652 PolarHBondContact O-N 2.97Å; P649-L653 PolarHBondContact O-N 2.91Å; P649-L653 VanDerWaalsContact O-N 3.17Å
650	L	87.6	Confident	86.5	Confident	14 Å²	14	40.2 Å²	40.2	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-32.9	-176.2	-151.8	76.6	0	0	0	111.8	E589 G647 L648 R654	E589-L650 HydrophobicContact CB-CD1 4.16Å; E589-L650 HydrophobicContact CB-CD2 3.91Å; G647-L650 PolarHBondContact O-N 3.48Å; L648-L650 PolarHBondContact O-N 2.92Å; L650-R654 WeakPolarHBondContact O-CB 3.42Å; L650-R654 VanDerWaalsContact O-CD 3.25Å; L650-R654 WeakPolarHBondContact O-CD 3.24Å; L650-R654 WeakPolarHBondContact O-CG 3.46Å; L650-R654 PolarHBondContact O-N 2.85Å; L650-R654 VanDerWaalsContact O-N 3.08Å
651	F	90.6	Very high	87	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.022	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-45.7	172.6	173.1	-117.8	0	0	0	112.4	L623 L634 G647 L648 P649 L653 R654 L655 C675 F678	L623-F651 HydrophobicContact CD1-CE1 4.29Å; L623-F651 HydrophobicContact CD1-CZ 4.38Å; L634-F651 HydrophobicContact CD2-CE1 4.17Å; G647-F651 PolarHBondContact O-N 3.45Å; G647-F651 VanDerWaalsContact O-N 3.11Å; L648-F651 HydrophobicContact CD1-CD1 4.11Å; L648-F651 PolarHBondContact O-N 3.25Å; P649-F651 VanDerWaalsContact C-N 3.3Å; P649-F651 PolarHBondContact O-N 3.12Å; F651-L653 PolarHBondContact O-N 3.42Å; F651-R654 PolarHBondContact O-N 3.02Å; F651-L655 HydrophobicContact CD1-CD1 4.33Å; F651-L655 HydrophobicContact CD2-CG 4.26Å; F651-L655 HydrophobicContact CE1-CD1 3.78Å; F651-L655 HydrophobicContact CE1-CG 4.42Å; F651-L655 HydrophobicContact CE2-CD1 4.09Å; F651-L655 HydrophobicContact CE2-CD2 3.81Å; F651-L655 HydrophobicContact CE2-CG 3.86Å; F651-L655 HydrophobicContact CZ-CD1 3.65Å; F651-L655 HydrophobicContact CZ-CD2 4Å; F651-L655 HydrophobicContact CZ-CG 3.96Å; F651-L655 WeakPolarHBondContact O-CG 3.22Å; F651-L655 PolarHBondContact O-N 3Å; F651-C675 HydrophobicContact CE2-CB 4.37Å; F651-C675 VanDerWaalsContact CZ-SG 3.55Å; F651-F678 HydrophobicContact CB-CB 3.96Å; F651-F678 HydrophobicContact CB-CD1 4.3Å; F651-F678 HydrophobicContact CB-CD2 3.96Å; F651-F678 HydrophobicContact CB-CG 3.81Å; F651-F678 HydrophobicContact CD1-CB 4.48Å; F651-F678 AromaticContact CD1-CD1 3.59Å; F651-F678 HydrophobicContact CD1-CD1 3.59Å; F651-F678 AromaticContact CD1-CE1 3.95Å; F651-F678 HydrophobicContact CD1-CE1 3.95Å; F651-F678 AromaticContact CD1-CG 3.99Å; F651-F678 HydrophobicContact CD1-CG 3.99Å; F651-F678 HydrophobicContact CD2-CB 3.55Å; F651-F678 HydrophobicContact CD2-CD1 4.1Å; F651-F678 AromaticContact CD2-CG 3.98Å; F651-F678 HydrophobicContact CD2-CG 3.98Å; F651-F678 AromaticContact CE1-CD1 3.82Å; F651-F678 HydrophobicContact CE1-CD1 3.82Å; F651-F678 HydrophobicContact CE1-CE1 4.19Å; F651-F678 HydrophobicContact CE2-CB 4.15Å; F651-F678 HydrophobicContact CE2-CD1 4.32Å; F651-F678 HydrophobicContact CG-CB 3.74Å; F651-F678 AromaticContact CG-CD1 3.73Å; F651-F678 HydrophobicContact CG-CD1 3.73Å; F651-F678 HydrophobicContact CG-CD2 4.28Å; F651-F678 HydrophobicContact CG-CE1 4.45Å; F651-F678 AromaticContact CG-CG 3.65Å; F651-F678 HydrophobicContact CG-CG 3.65Å; F651-F678 HydrophobicContact CZ-CD1 4.17Å
652	I	90.6	Very high	87.1	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.6	-67.6	-53.1	0	0	0	111.9	L577 L580 I606 L610 L631 L648 P649 L655	L577-I652 HydrophobicContact CD2-CD1 3.66Å; L577-I652 HydrophobicContact CD2-CG1 3.94Å; L577-I652 HydrophobicContact CD2-CG2 3.88Å; L580-I652 HydrophobicContact CB-CG1 4.41Å; L580-I652 HydrophobicContact CD1-CG1 4.08Å; I606-I652 HydrophobicContact CG2-CG2 4.2Å; L610-I652 HydrophobicContact CD1-CG2 3.92Å; L631-I652 HydrophobicContact CD2-CD1 4.46Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 3.21Å; L648-I652 VanDerWaalsContact O-N 3.08Å; P649-I652 PolarHBondContact O-N 2.97Å; I652-L655 HydrophobicContact CD1-CD1 4.29Å
653	L	89	Confident	87.3	Confident	11 Å²	11	44 Å²	44	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-49.6	173.8	177.5	62.2	0	0	0	111.4	A584 L585 I606 P649 F651 L655 A656 T657	A584-L653 HydrophobicContact CB-CB 3.74Å; A584-L653 HydrophobicContact CB-CD2 3.92Å; A584-L653 HydrophobicContact CB-CG 4.42Å; L585-L653 HydrophobicContact CD2-CD1 4.01Å; L585-L653 HydrophobicContact CD2-CD2 4.19Å; I606-L653 HydrophobicContact CD1-CD1 3.57Å; P649-L653 PolarHBondContact O-N 2.91Å; P649-L653 VanDerWaalsContact O-N 3.17Å; F651-L653 PolarHBondContact O-N 3.42Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.34Å; L653-A656 WeakPolarHBondContact O-CB 3.36Å; L653-A656 PolarHBondContact O-N 2.94Å; L653-T657 HydrophobicContact CD1-CG2 4.04Å; L653-T657 HydrophobicContact CG-CG2 4.49Å; L653-T657 PolarHBondContact O-N 3.13Å; L653-T657 VanDerWaalsContact O-N 3.11Å; L653-T657 PolarHBondContact O-OG1 3.4Å
654	R	88.7	Confident	87.4	Confident	71 Å²	71	48.4 Å²	48.4	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-31.7	-177.5	-73	161.4	164.5	-100.7	-11.1	114	L650 F651 A656 T657 E658 E674	L650-R654 WeakPolarHBondContact O-CB 3.42Å; L650-R654 VanDerWaalsContact O-CD 3.25Å; L650-R654 WeakPolarHBondContact O-CD 3.24Å; L650-R654 WeakPolarHBondContact O-CG 3.46Å; L650-R654 PolarHBondContact O-N 2.85Å; L650-R654 VanDerWaalsContact O-N 3.08Å; F651-R654 PolarHBondContact O-N 3.02Å; R654-A656 PolarHBondContact O-N 3.34Å; R654-T657 PolarHBondContact O-N 3.01Å; R654-E658 HydrophobicContact CB-CG 3.97Å; R654-E658 HydrophobicContact CG-CG 3.91Å; R654-E658 PolarHBondContact O-N 3.25Å; R654-E674 HydrophobicContact CB-CG 4.35Å; R654-E674 WeakPolarHBondContact CD-OE2 3.49Å; R654-E674 IonicContact CZ-OE2 2.67Å; R654-E674 IonicContact NE-OE2 3.31Å; R654-E674 IonicContact NH1-OE1 2.74Å; R654-E674 IonicContact NH1-OE2 2.8Å; R654-E674 PolarHBondContact NH1-OE2 3.29Å
655	L	89.1	Confident	87.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-26.7	171.6	-74.7	179.5	0	0	0	112.7	L610 L623 F651 I652 L653 V659 W661 L671	L610-L655 HydrophobicContact CD2-CB 4.09Å; L623-L655 HydrophobicContact CD1-CD1 4.17Å; F651-L655 HydrophobicContact CD1-CD1 4.33Å; F651-L655 HydrophobicContact CD2-CG 4.26Å; F651-L655 HydrophobicContact CE1-CD1 3.78Å; F651-L655 HydrophobicContact CE1-CG 4.42Å; F651-L655 HydrophobicContact CE2-CD1 4.09Å; F651-L655 HydrophobicContact CE2-CD2 3.81Å; F651-L655 HydrophobicContact CE2-CG 3.86Å; F651-L655 HydrophobicContact CZ-CD1 3.65Å; F651-L655 HydrophobicContact CZ-CD2 4Å; F651-L655 HydrophobicContact CZ-CG 3.96Å; F651-L655 WeakPolarHBondContact O-CG 3.22Å; F651-L655 PolarHBondContact O-N 3Å; I652-L655 HydrophobicContact CD1-CD1 4.29Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.34Å; L655-V659 HydrophobicContact CD2-CG2 4.3Å; L655-W661 WeakPolarHBondContact O-CZ2 3.43Å; L655-W661 PolarHBondContact O-NE1 2.93Å; L655-L671 HydrophobicContact CD2-CD2 4.23Å; L655-L671 HydrophobicContact CD2-CG 3.89Å
656	A	87.1	Confident	87.6	Confident	20 Å²	20	51.2 Å²	51.2	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-93.2	-27.1	176.9	0	0	0	0	0	113.8	I606 F609 L653 R654	I606-A656 HydrophobicContact CB-CB 4.43Å; I606-A656 HydrophobicContact CG1-CB 3.9Å; I606-A656 HydrophobicContact CG2-CB 4.09Å; F609-A656 HydrophobicContact CD1-CB 4.45Å; L653-A656 WeakPolarHBondContact O-CB 3.36Å; L653-A656 PolarHBondContact O-N 2.94Å; R654-A656 PolarHBondContact O-N 3.34Å
657	T	86.6	Confident	87.8	Confident	74 Å²	74	46.5 Å²	46.5	45%	0.454	23%	0.233	S	C	.	.	H	α-helix	trans	-102.4	-41.6	-175.9	64.8	0	0	0	0	115.3	L653 R654	L653-T657 HydrophobicContact CD1-CG2 4.04Å; L653-T657 HydrophobicContact CG-CG2 4.49Å; L653-T657 PolarHBondContact O-N 3.13Å; L653-T657 VanDerWaalsContact O-N 3.11Å; L653-T657 PolarHBondContact O-OG1 3.4Å; R654-T657 PolarHBondContact O-N 3.01Å
658	E	86.9	Confident	88.2	Confident	115 Å²	115	46.8 Å²	46.8	54%	0.537	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.2	-169.2	-51.4	-51.8	120.1	0	0	113.8	R654 E674	R654-E658 HydrophobicContact CB-CG 3.97Å; R654-E658 HydrophobicContact CG-CG 3.91Å; R654-E658 PolarHBondContact O-N 3.25Å; E658-E674 HydrophobicContact CB-CG 4.17Å
659	V	89.4	Confident	88.2	Confident	10 Å²	10	47.8 Å²	47.8	6%	0.061	24%	0.237	C	C	.	.	S	Bend	trans	-85.4	125.3	-178.8	175.7	0	0	0	0	109.8	L655 W661 S670 L671	L655-V659 HydrophobicContact CD2-CG2 4.3Å; V659-W661 HydrophobicContact CB-CZ2 4.49Å; V659-W661 HydrophobicContact CG1-CD2 4Å; V659-W661 HydrophobicContact CG1-CG 4.23Å; V659-W661 HydrophobicContact CG1-CZ2 4.08Å; V659-W661 PolarHBondContact O-N 3.16Å; V659-S670 WeakPolarHBondContact CA-OG 3.49Å; V659-L671 HydrophobicContact CG1-CB 4Å; V659-L671 HydrophobicContact CG1-CD1 4.39Å; V659-L671 HydrophobicContact CG1-CG 4.48Å; V659-L671 HydrophobicContact CG2-CB 4.12Å; V659-L671 HydrophobicContact CG2-CG 4.34Å
660	N	88.4	Confident	88.3	Confident	48 Å²	48	47.7 Å²	47.7	26%	0.257	24%	0.237	S	C	.	.			trans	-76.1	112.7	170.8	-179	-6.7	0	0	0	109	D662 E666 C667 S670	N660-D662 PolarHBondContact OD1-N 3.45Å; N660-E666 HydrophobicContact CB-CB 4.02Å; N660-E666 PolarHBondContact ND2-OE2 3.06Å; N660-C667 WeakPolarHBondContact O-CA 3.47Å; N660-C667 WeakPolarHBondContact O-CB 3.47Å; N660-C667 PolarHBondContact O-N 3.41Å; N660-S670 PolarHBondContact N-OG 3.39Å; N660-S670 VanDerWaalsContact N-OG 3.15Å
661	W	87.5	Confident	88.4	Confident	31 Å²	31	47 Å²	47	12%	0.117	23%	0.234	C	C	.	.			trans	-96.1	2	-176.6	-70.8	95.7	0	0	0	115.1	F609 L610 K613 M616 L617 L655 V659 L671	F609-W661 AromaticContact CE1-CD1 3.7Å; F609-W661 HydrophobicContact CE1-CD2 4.1Å; F609-W661 AromaticContact CE1-CE2 3.68Å; F609-W661 HydrophobicContact CE1-CG 4.09Å; F609-W661 HydrophobicContact CE1-CZ2 4.21Å; F609-W661 AromaticContact CE1-NE1 3.45Å; F609-W661 HydrophobicContact CZ-CB 4.23Å; F609-W661 AromaticContact CZ-CD1 3.51Å; F609-W661 HydrophobicContact CZ-CD2 4.11Å; F609-W661 AromaticContact CZ-CG 3.7Å; F609-W661 HydrophobicContact CZ-CG 3.7Å; F609-W661 AromaticContact CZ-NE1 3.79Å; L610-W661 HydrophobicContact CD2-CZ2 4.5Å; K613-W661 HydrophobicContact CB-CH2 3.81Å; K613-W661 HydrophobicContact CB-CZ3 3.71Å; K613-W661 HydrophobicContact CD-CD2 4.35Å; K613-W661 HydrophobicContact CD-CE3 3.55Å; K613-W661 HydrophobicContact CD-CH2 4.4Å; K613-W661 HydrophobicContact CD-CZ3 3.55Å; K613-W661 HydrophobicContact CG-CD2 4.44Å; K613-W661 HydrophobicContact CG-CE3 3.88Å; K613-W661 HydrophobicContact CG-CH2 3.9Å; K613-W661 HydrophobicContact CG-CZ3 3.56Å; M616-W661 HydrophobicContact CE-CE3 4.44Å; M616-W661 HydrophobicContact CE-CH2 4.07Å; M616-W661 HydrophobicContact CE-CZ3 3.49Å; M616-W661 VanDerWaalsContact CE-CZ3 3.49Å; L617-W661 HydrophobicContact CD2-CH2 4.14Å; L617-W661 HydrophobicContact CG-CH2 4.41Å; L655-W661 WeakPolarHBondContact O-CZ2 3.43Å; L655-W661 PolarHBondContact O-NE1 2.93Å; V659-W661 HydrophobicContact CB-CZ2 4.49Å; V659-W661 HydrophobicContact CG1-CD2 4Å; V659-W661 HydrophobicContact CG1-CG 4.23Å; V659-W661 HydrophobicContact CG1-CZ2 4.08Å; V659-W661 PolarHBondContact O-N 3.16Å; W661-L671 HydrophobicContact CH2-CD1 3.98Å; W661-L671 HydrophobicContact CZ2-CD1 4.34Å
662	D	85.8	Confident	88.5	Confident	158 Å²	158	46.8 Å²	46.8	85%	0.845	23%	0.233	S	C	*	.	S	Bend	trans	-97.9	-33.5	-175	-68.3	-35.2	0	0	0	113.3	N660	N660-D662 PolarHBondContact OD1-N 3.45Å
663	E	87.7	Confident	88.5	Confident	119 Å²	119	50.8 Å²	50.8	56%	0.556	25%	0.25	S	S	*	.	S	Bend	trans	-108.8	127.3	177	-66.4	-156.5	-164.2	0	0	112.5	K665 E666 C667	E663-K665 PolarHBondContact O-N 3.07Å; E663-E666 HydrophobicContact CB-CB 4.26Å; E663-E666 HydrophobicContact CB-CG 4.31Å; E663-E666 PolarHBondContact O-N 3.43Å; E663-C667 VanDerWaalsContact O-CB 3.23Å; E663-C667 WeakPolarHBondContact O-CB 3.24Å; E663-C667 PolarHBondContact O-N 3.12Å
664	E	87.2	Confident	88.6	Confident	94 Å²	94	51.6 Å²	51.6	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-54.5	-47.1	-175.3	-173.9	-168	116	0	0	112.9	S500 F668	S500-E664 WeakPolarHBondContact CB-OE1 3.17Å; S500-E664 PolarHBondContact OG-OE1 3Å; E664-F668 HydrophobicContact CG-CD2 4.05Å; E664-F668 HydrophobicContact CG-CE2 3.39Å; E664-F668 HydrophobicContact CG-CZ 3.71Å; E664-F668 WeakPolarHBondContact O-CD2 3.4Å; E664-F668 WeakPolarHBondContact O-CG 3.39Å; E664-F668 PolarHBondContact O-N 3.08Å; E664-F668 VanDerWaalsContact O-N 3.1Å
665	K	86.4	Confident	88.6	Confident	60 Å²	60	48.2 Å²	48.2	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-67.2	-48.1	-178.6	-178.1	178.4	172.4	168.6	0	111.7	S503 L504 E507 E663 C667 F668 E669	S503-K665 WeakPolarHBondContact OG-CE 3.08Å; S503-K665 PolarHBondContact OG-NZ 3.15Å; L504-K665 HydrophobicContact CD1-CG 4.31Å; L504-K665 HydrophobicContact CD2-CG 4.24Å; L504-K665 HydrophobicContact CG-CG 4.22Å; E507-K665 IonicContact OE1-NZ 3.64Å; E507-K665 PolarHBondContact OE1-NZ 2.89Å; E663-K665 PolarHBondContact O-N 3.07Å; K665-C667 VanDerWaalsContact C-N 3.3Å; K665-C667 PolarHBondContact O-N 3.08Å; K665-F668 PolarHBondContact O-N 3.28Å; K665-E669 WeakPolarHBondContact O-CB 3.23Å; K665-E669 PolarHBondContact O-N 2.73Å
666	E	87.1	Confident	88.7	Confident	94 Å²	94	48.2 Å²	48.2	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-32.3	-179.7	-59.7	-157	159.4	0	0	111.6	N660 E663 E669 S670	N660-E666 HydrophobicContact CB-CB 4.02Å; N660-E666 PolarHBondContact ND2-OE2 3.06Å; E663-E666 HydrophobicContact CB-CB 4.26Å; E663-E666 HydrophobicContact CB-CG 4.31Å; E663-E666 PolarHBondContact O-N 3.43Å; E666-E669 PolarHBondContact O-N 3.24Å; E666-S670 VanDerWaalsContact O-CB 3.26Å; E666-S670 WeakPolarHBondContact O-CB 3.31Å; E666-S670 PolarHBondContact O-N 2.68Å; E666-S670 PolarHBondContact O-OG 2.8Å
667	C	88.4	Confident	88.8	Confident	10 Å²	10	48.1 Å²	48.1	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-50.8	171.7	-173.9	0	0	0	0	111.6	N660 E663 K665 E669 S670 L671	N660-C667 WeakPolarHBondContact O-CA 3.47Å; N660-C667 WeakPolarHBondContact O-CB 3.47Å; N660-C667 PolarHBondContact O-N 3.41Å; E663-C667 VanDerWaalsContact O-CB 3.23Å; E663-C667 WeakPolarHBondContact O-CB 3.24Å; E663-C667 PolarHBondContact O-N 3.12Å; K665-C667 VanDerWaalsContact C-N 3.3Å; K665-C667 PolarHBondContact O-N 3.08Å; C667-E669 VanDerWaalsContact C-N 3.35Å; C667-E669 PolarHBondContact O-N 2.93Å; C667-S670 PolarHBondContact O-OG 3.16Å; C667-L671 WeakPolarHBondContact O-CB 3.41Å; C667-L671 PolarHBondContact O-N 2.87Å
668	F	90.2	Very high	88.9	Confident	12 Å²	12	45.1 Å²	45.1	5%	0.053	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-35	179.2	-61	-24.1	0	0	0	112.2	L498 V501 L504 F563 M616 F621 E664 K665 S672	L498-F668 HydrophobicContact CD1-CE2 4.09Å; V501-F668 HydrophobicContact CG2-CD2 3.92Å; V501-F668 HydrophobicContact CG2-CE2 4.28Å; L504-F668 HydrophobicContact CD1-CB 4.38Å; F563-F668 HydrophobicContact CE1-CE2 4.41Å; F563-F668 HydrophobicContact CE2-CB 4.25Å; F563-F668 HydrophobicContact CE2-CD1 4.1Å; F563-F668 HydrophobicContact CE2-CD2 4.41Å; F563-F668 HydrophobicContact CE2-CG 4.01Å; F563-F668 HydrophobicContact CZ-CB 4.5Å; F563-F668 AromaticContact CZ-CD1 3.75Å; F563-F668 HydrophobicContact CZ-CD1 3.75Å; F563-F668 AromaticContact CZ-CD2 3.86Å; F563-F668 HydrophobicContact CZ-CD2 3.86Å; F563-F668 AromaticContact CZ-CE1 3.83Å; F563-F668 HydrophobicContact CZ-CE1 3.83Å; F563-F668 AromaticContact CZ-CE2 3.94Å; F563-F668 HydrophobicContact CZ-CE2 3.94Å; F563-F668 AromaticContact CZ-CG 3.78Å; F563-F668 HydrophobicContact CZ-CG 3.78Å; F563-F668 AromaticContact CZ-CZ 3.93Å; F563-F668 HydrophobicContact CZ-CZ 3.93Å; M616-F668 HydrophobicContact SD-CE1 4.31Å; F621-F668 HydrophobicContact CE2-CD1 4.3Å; F621-F668 HydrophobicContact CZ-CD1 4.44Å; E664-F668 HydrophobicContact CG-CD2 4.05Å; E664-F668 HydrophobicContact CG-CE2 3.39Å; E664-F668 HydrophobicContact CG-CZ 3.71Å; E664-F668 WeakPolarHBondContact O-CD2 3.4Å; E664-F668 WeakPolarHBondContact O-CG 3.39Å; E664-F668 PolarHBondContact O-N 3.08Å; E664-F668 VanDerWaalsContact O-N 3.1Å; K665-F668 PolarHBondContact O-N 3.28Å; F668-S672 WeakPolarHBondContact O-CB 3.35Å; F668-S672 PolarHBondContact O-N 2.86Å; F668-S672 PolarHBondContact O-OG 2.78Å
669	E	89.4	Confident	89	Confident	31 Å²	31	39.8 Å²	39.8	15%	0.145	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-51.1	176.2	179.7	168.6	-177.9	0	0	112.5	L504 K665 E666 C667 S672 K673	L504-E669 HydrophobicContact CD1-CB 4.13Å; L504-E669 HydrophobicContact CD2-CB 4Å; L504-E669 HydrophobicContact CD2-CG 4.23Å; L504-E669 WeakPolarHBondContact CD2-OE2 3.3Å; K665-E669 WeakPolarHBondContact O-CB 3.23Å; K665-E669 PolarHBondContact O-N 2.73Å; E666-E669 PolarHBondContact O-N 3.24Å; C667-E669 VanDerWaalsContact C-N 3.35Å; C667-E669 PolarHBondContact O-N 2.93Å; E669-S672 PolarHBondContact O-N 3.44Å; E669-K673 VanDerWaalsContact CD-NZ 3.32Å; E669-K673 HydrophobicContact CG-CD 4.24Å; E669-K673 VanDerWaalsContact CG-CE 3.46Å; E669-K673 VanDerWaalsContact O-CG 3.32Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 3.39Å; E669-K673 VanDerWaalsContact OE1-CE 3.28Å; E669-K673 WeakPolarHBondContact OE1-CE 3.33Å; E669-K673 IonicContact OE1-NZ 2.97Å; E669-K673 PolarHBondContact OE1-NZ 3.04Å
670	S	90.1	Very high	89	Confident	20 Å²	20	39.3 Å²	39.3	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-43.4	-177.7	56	0	0	0	0	112.4	V659 N660 E666 C667 S672 K673 E674	V659-S670 WeakPolarHBondContact CA-OG 3.49Å; N660-S670 PolarHBondContact N-OG 3.39Å; N660-S670 VanDerWaalsContact N-OG 3.15Å; E666-S670 VanDerWaalsContact O-CB 3.26Å; E666-S670 WeakPolarHBondContact O-CB 3.31Å; E666-S670 PolarHBondContact O-N 2.68Å; E666-S670 PolarHBondContact O-OG 2.8Å; C667-S670 PolarHBondContact O-OG 3.16Å; S670-S672 PolarHBondContact O-N 2.73Å; S670-K673 WeakPolarHBondContact O-CB 3.41Å; S670-K673 PolarHBondContact O-N 2.99Å; S670-K673 VanDerWaalsContact O-N 3.17Å; S670-E674 PolarHBondContact O-N 3.15Å
671	L	91.1	Very high	88.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-42.1	175.8	-159.1	161.4	0	0	0	111	M616 L617 F621 L655 V659 W661 C667 K673 E674 C675	M616-L671 HydrophobicContact CE-CD1 4.11Å; L617-L671 HydrophobicContact CD2-CD1 3.79Å; F621-L671 HydrophobicContact CD1-CD2 3.88Å; F621-L671 HydrophobicContact CD2-CD1 4.34Å; F621-L671 HydrophobicContact CD2-CD2 3.95Å; F621-L671 HydrophobicContact CE1-CD2 3.82Å; F621-L671 HydrophobicContact CE2-CD1 4.07Å; F621-L671 HydrophobicContact CE2-CD2 3.89Å; F621-L671 HydrophobicContact CE2-CG 4.44Å; F621-L671 HydrophobicContact CG-CD2 3.94Å; F621-L671 HydrophobicContact CZ-CB 4.38Å; F621-L671 HydrophobicContact CZ-CD2 3.81Å; F621-L671 HydrophobicContact CZ-CG 4.47Å; L655-L671 HydrophobicContact CD2-CD2 4.23Å; L655-L671 HydrophobicContact CD2-CG 3.89Å; V659-L671 HydrophobicContact CG1-CB 4Å; V659-L671 HydrophobicContact CG1-CD1 4.39Å; V659-L671 HydrophobicContact CG1-CG 4.48Å; V659-L671 HydrophobicContact CG2-CB 4.12Å; V659-L671 HydrophobicContact CG2-CG 4.34Å; W661-L671 HydrophobicContact CH2-CD1 3.98Å; W661-L671 HydrophobicContact CZ2-CD1 4.34Å; C667-L671 WeakPolarHBondContact O-CB 3.41Å; C667-L671 PolarHBondContact O-N 2.87Å; L671-K673 VanDerWaalsContact C-N 3.28Å; L671-K673 PolarHBondContact O-N 3.06Å; L671-E674 PolarHBondContact O-N 3.29Å; L671-C675 WeakPolarHBondContact O-CB 3.46Å; L671-C675 PolarHBondContact O-N 3.35Å; L671-C675 PolarHBondContact O-SG 2.75Å
672	S	90.9	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-33.9	175.2	-60.9	0	0	0	0	112.5	L559 F668 E669 S670 A676	L559-S672 VanDerWaalsContact CD1-O 3.26Å; L559-S672 WeakPolarHBondContact CD1-O 3.36Å; F668-S672 WeakPolarHBondContact O-CB 3.35Å; F668-S672 PolarHBondContact O-N 2.86Å; F668-S672 PolarHBondContact O-OG 2.78Å; E669-S672 PolarHBondContact O-N 3.44Å; S670-S672 PolarHBondContact O-N 2.73Å; S672-A676 WeakPolarHBondContact O-CB 3.45Å; S672-A676 PolarHBondContact O-N 2.82Å
673	K	91	Very high	87	Confident	87 Å²	87	35.2 Å²	35.2	38%	0.378	16%	0.163	S	C	.	.	H	α-helix	trans	-67.9	-46.6	174.5	-74.5	168.3	-173.9	169	0	112.2	Y556 E669 S670 L671 A676 V677	Y556-K673 HydrophobicContact CD2-CG 3.85Å; Y556-K673 HydrophobicContact CE2-CG 3.84Å; E669-K673 VanDerWaalsContact CD-NZ 3.32Å; E669-K673 HydrophobicContact CG-CD 4.24Å; E669-K673 VanDerWaalsContact CG-CE 3.46Å; E669-K673 VanDerWaalsContact O-CG 3.32Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 3.39Å; E669-K673 VanDerWaalsContact OE1-CE 3.28Å; E669-K673 WeakPolarHBondContact OE1-CE 3.33Å; E669-K673 IonicContact OE1-NZ 2.97Å; E669-K673 PolarHBondContact OE1-NZ 3.04Å; S670-K673 WeakPolarHBondContact O-CB 3.41Å; S670-K673 PolarHBondContact O-N 2.99Å; S670-K673 VanDerWaalsContact O-N 3.17Å; L671-K673 VanDerWaalsContact C-N 3.28Å; L671-K673 PolarHBondContact O-N 3.06Å; K673-A676 WeakPolarHBondContact O-CB 3.34Å; K673-A676 PolarHBondContact O-N 3.17Å; K673-A676 VanDerWaalsContact O-N 3.17Å; K673-V677 WeakPolarHBondContact O-CB 3.24Å; K673-V677 WeakPolarHBondContact O-CG2 3.43Å; K673-V677 PolarHBondContact O-N 3Å
674	E	90.6	Very high	85.6	Confident	28 Å²	28	34.9 Å²	34.9	13%	0.131	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-33.9	-179.7	-68.6	-52.5	123.6	0	0	112.8	R654 E658 S670 L671 V677 F678	R654-E674 HydrophobicContact CB-CG 4.35Å; R654-E674 WeakPolarHBondContact CD-OE2 3.49Å; R654-E674 IonicContact CZ-OE2 2.67Å; R654-E674 IonicContact NE-OE2 3.31Å; R654-E674 IonicContact NH1-OE1 2.74Å; R654-E674 IonicContact NH1-OE2 2.8Å; R654-E674 PolarHBondContact NH1-OE2 3.29Å; E658-E674 HydrophobicContact CB-CG 4.17Å; S670-E674 PolarHBondContact O-N 3.15Å; L671-E674 PolarHBondContact O-N 3.29Å; E674-V677 WeakPolarHBondContact O-CB 3.43Å; E674-V677 PolarHBondContact O-N 2.98Å; E674-F678 PolarHBondContact O-N 3.16Å
675	C	89.3	Confident	84.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-46.5	165.8	-78.7	0	0	0	0	111.6	L559 F651 L671 V677 F678 Y679	L559-C675 HydrophobicContact CD1-CB 3.52Å; L559-C675 HydrophobicContact CD2-CB 4.37Å; F651-C675 HydrophobicContact CE2-CB 4.37Å; F651-C675 VanDerWaalsContact CZ-SG 3.55Å; L671-C675 WeakPolarHBondContact O-CB 3.46Å; L671-C675 PolarHBondContact O-N 3.35Å; L671-C675 PolarHBondContact O-SG 2.75Å; C675-V677 VanDerWaalsContact C-N 3.33Å; C675-V677 PolarHBondContact O-N 3.03Å; C675-F678 PolarHBondContact O-N 3.08Å; C675-Y679 WeakPolarHBondContact O-CD2 3.09Å; C675-Y679 PolarHBondContact O-N 3.46Å
676	A	90.6	Very high	83.2	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-36.2	178.2	0	0	0	0	0	113.4	E552 F555 Y556 L559 S672 K673 Y679 S680	E552-A676 WeakPolarHBondContact O-CB 3.44Å; F555-A676 HydrophobicContact CB-CB 3.91Å; Y556-A676 VanDerWaalsContact N-CB 3.33Å; L559-A676 HydrophobicContact CD1-CB 4.29Å; S672-A676 WeakPolarHBondContact O-CB 3.45Å; S672-A676 PolarHBondContact O-N 2.82Å; K673-A676 WeakPolarHBondContact O-CB 3.34Å; K673-A676 PolarHBondContact O-N 3.17Å; K673-A676 VanDerWaalsContact O-N 3.17Å; A676-Y679 PolarHBondContact O-N 3.39Å; A676-S680 WeakPolarHBondContact O-CB 3.25Å; A676-S680 PolarHBondContact O-N 3.08Å
677	V	89.8	Confident	81.7	Confident	18 Å²	18	32.4 Å²	32.4	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-47.4	171.7	151.2	0	0	0	0	111.3	E552 K673 E674 C675 S680	E552-V677 HydrophobicContact CG-CG2 4.08Å; K673-V677 WeakPolarHBondContact O-CB 3.24Å; K673-V677 WeakPolarHBondContact O-CG2 3.43Å; K673-V677 PolarHBondContact O-N 3Å; E674-V677 WeakPolarHBondContact O-CB 3.43Å; E674-V677 PolarHBondContact O-N 2.98Å; C675-V677 VanDerWaalsContact C-N 3.33Å; C675-V677 PolarHBondContact O-N 3.03Å; V677-S680 PolarHBondContact O-N 2.96Å; V677-S680 PolarHBondContact O-OG 3.27Å
678	F	89.8	Confident	79.7	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-39.9	177.7	170.1	-129.8	0	0	0	112.5	L634 P643 P644 L648 F651 E674 C675 S680	L634-F678 HydrophobicContact CD1-CE1 4.17Å; L634-F678 HydrophobicContact CD1-CZ 4.39Å; L634-F678 HydrophobicContact CD2-CE1 4.29Å; P643-F678 HydrophobicContact CB-CE1 4.26Å; P643-F678 HydrophobicContact CB-CE2 4.44Å; P643-F678 HydrophobicContact CB-CZ 4.11Å; P643-F678 HydrophobicContact CG-CE1 3.98Å; P643-F678 HydrophobicContact CG-CZ 3.92Å; P644-F678 WeakPolarHBondContact O-CE2 3.45Å; L648-F678 HydrophobicContact CB-CE2 4.2Å; L648-F678 HydrophobicContact CB-CZ 4.26Å; L648-F678 HydrophobicContact CD1-CE1 4.19Å; L648-F678 HydrophobicContact CD1-CE2 4.42Å; L648-F678 HydrophobicContact CD1-CZ 3.81Å; F651-F678 HydrophobicContact CB-CB 3.96Å; F651-F678 HydrophobicContact CB-CD1 4.3Å; F651-F678 HydrophobicContact CB-CD2 3.96Å; F651-F678 HydrophobicContact CB-CG 3.81Å; F651-F678 HydrophobicContact CD1-CB 4.48Å; F651-F678 AromaticContact CD1-CD1 3.59Å; F651-F678 HydrophobicContact CD1-CD1 3.59Å; F651-F678 AromaticContact CD1-CE1 3.95Å; F651-F678 HydrophobicContact CD1-CE1 3.95Å; F651-F678 AromaticContact CD1-CG 3.99Å; F651-F678 HydrophobicContact CD1-CG 3.99Å; F651-F678 HydrophobicContact CD2-CB 3.55Å; F651-F678 HydrophobicContact CD2-CD1 4.1Å; F651-F678 AromaticContact CD2-CG 3.98Å; F651-F678 HydrophobicContact CD2-CG 3.98Å; F651-F678 AromaticContact CE1-CD1 3.82Å; F651-F678 HydrophobicContact CE1-CD1 3.82Å; F651-F678 HydrophobicContact CE1-CE1 4.19Å; F651-F678 HydrophobicContact CE2-CB 4.15Å; F651-F678 HydrophobicContact CE2-CD1 4.32Å; F651-F678 HydrophobicContact CG-CB 3.74Å; F651-F678 AromaticContact CG-CD1 3.73Å; F651-F678 HydrophobicContact CG-CD1 3.73Å; F651-F678 HydrophobicContact CG-CD2 4.28Å; F651-F678 HydrophobicContact CG-CE1 4.45Å; F651-F678 AromaticContact CG-CG 3.65Å; F651-F678 HydrophobicContact CG-CG 3.65Å; F651-F678 HydrophobicContact CZ-CD1 4.17Å; E674-F678 PolarHBondContact O-N 3.16Å; C675-F678 PolarHBondContact O-N 3.08Å; F678-S680 VanDerWaalsContact C-N 3.31Å; F678-S680 PolarHBondContact O-N 3.11Å
679	Y	89	Confident	77.7	Confident	3 Å²	3	42 Å²	42	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-77.6	-15.5	179.4	-78.9	-118.8	0	0	0	113.2	F555 P635 L637 Y641 P643 C675 A676	F555-Y679 HydrophobicContact CD1-CD1 4.45Å; F555-Y679 HydrophobicContact CE1-CD1 4.34Å; F555-Y679 WeakPolarHBondContact CE2-O 3.34Å; P635-Y679 WeakPolarHBondContact CD-OH 3.31Å; P635-Y679 HydrophobicContact CG-CE2 4.42Å; P635-Y679 VanDerWaalsContact O-CE1 3.3Å; P635-Y679 WeakPolarHBondContact O-CE1 3.44Å; P635-Y679 VanDerWaalsContact O-CZ 3.26Å; P635-Y679 PolarHBondContact O-OH 2.98Å; L637-Y679 HydrophobicContact CB-CD1 4.47Å; L637-Y679 HydrophobicContact CB-CE1 4.47Å; L637-Y679 HydrophobicContact CD1-CD1 3.72Å; L637-Y679 HydrophobicContact CD1-CD2 4.48Å; L637-Y679 HydrophobicContact CD1-CE1 4Å; L637-Y679 HydrophobicContact CD1-CG 3.99Å; L637-Y679 HydrophobicContact CG-CD1 4.13Å; L637-Y679 HydrophobicContact CG-CE1 3.98Å; Y641-Y679 HydrophobicContact CD1-CD1 4.18Å; Y641-Y679 HydrophobicContact CE1-CD1 4.12Å; Y641-Y679 WeakPolarHBondContact CE1-O 3.29Å; Y641-Y679 PolarHBondContact OH-O 2.81Å; P643-Y679 HydrophobicContact CB-CD1 4.04Å; P643-Y679 HydrophobicContact CB-CD2 4.18Å; P643-Y679 HydrophobicContact CB-CE1 4.25Å; P643-Y679 HydrophobicContact CB-CE2 4.37Å; P643-Y679 HydrophobicContact CB-CG 4Å; P643-Y679 HydrophobicContact CG-CD1 4.24Å; P643-Y679 HydrophobicContact CG-CD2 4.45Å; P643-Y679 HydrophobicContact CG-CE1 3.93Å; P643-Y679 HydrophobicContact CG-CE2 4.15Å; P643-Y679 HydrophobicContact CG-CG 4.49Å; C675-Y679 WeakPolarHBondContact O-CD2 3.09Å; C675-Y679 PolarHBondContact O-N 3.46Å; A676-Y679 PolarHBondContact O-N 3.39Å
680	S	88.1	Confident	75.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-64.6	146.1	-177.3	72.6	0	0	0	0	114.2	S551 A676 V677 F678 R682	S551-S680 WeakPolarHBondContact OG-CA 3.3Å; A676-S680 WeakPolarHBondContact O-CB 3.25Å; A676-S680 PolarHBondContact O-N 3.08Å; V677-S680 PolarHBondContact O-N 2.96Å; V677-S680 PolarHBondContact O-OG 3.27Å; F678-S680 VanDerWaalsContact C-N 3.31Å; F678-S680 PolarHBondContact O-N 3.11Å; S680-R682 PolarHBondContact O-N 3.4Å; S680-R682 VanDerWaalsContact O-N 3.13Å; S680-R682 PolarHBondContact OG-NE 3.19Å
681	V	81.3	Confident	72.4	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.036	25%	0.246	C	C	.	.			trans	-75.8	100.1	-178.5	-178.2	0	0	0	0	109.8	T547 T548 S551 I686 V711 I715	T547-V681 HydrophobicContact CG2-CB 4.3Å; T547-V681 HydrophobicContact CG2-CG1 4.33Å; T548-V681 WeakPolarHBondContact CA-O 3.39Å; T548-V681 VanDerWaalsContact CB-O 3.29Å; T548-V681 WeakPolarHBondContact CB-O 3.4Å; T548-V681 WeakPolarHBondContact CG2-O 3.42Å; T548-V681 PolarHBondContact OG1-O 3.37Å; S551-V681 PolarHBondContact OG-N 3.41Å; V681-I686 HydrophobicContact CG1-CD1 3.56Å; V681-V711 HydrophobicContact CG1-CG2 3.98Å; V681-I715 HydrophobicContact CG2-CD1 4.46Å; V681-I715 HydrophobicContact CG2-CG1 4.09Å
682	R	75.1	Confident	69.8	Low	45 Å²	45	56.2 Å²	56.2	17%	0.17	28%	0.283	C	S	.	.			trans	-115	139.2	-174.6	-69.2	-178.8	175.8	-156.2	-5.9	113.2	T548 E552 S680 Q684 Y685 I686	T548-R682 HydrophobicContact CG2-CG 3.86Å; E552-R682 IonicContact OE2-NH2 2.77Å; E552-R682 PolarHBondContact OE2-NH2 2.9Å; S680-R682 PolarHBondContact O-N 3.4Å; S680-R682 VanDerWaalsContact O-N 3.13Å; S680-R682 PolarHBondContact OG-NE 3.19Å; R682-Q684 VanDerWaalsContact C-N 3.32Å; R682-Q684 PolarHBondContact O-N 2.96Å; R682-Y685 HydrophobicContact CB-CD2 4.06Å; R682-Y685 PolarHBondContact O-N 3.11Å; R682-I686 WeakPolarHBondContact O-CD1 3.39Å; R682-I686 WeakPolarHBondContact O-CG1 3.47Å
683	K	64.2	Low	67.3	Low	100 Å²	100	62.2 Å²	62.2	44%	0.435	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-61.2	-36.8	179.2	-169	-171.9	176.6	-166.9	0	112.8	P531 Q532 Y685 I686	P531-K683 HydrophobicContact CB-CB 4.5Å; P531-K683 HydrophobicContact CG-CG 4.39Å; Q532-K683 HydrophobicContact CG-CB 4.11Å; K683-Y685 PolarHBondContact O-N 3.12Å; K683-Y685 VanDerWaalsContact O-N 3.14Å; K683-I686 PolarHBondContact O-N 3.46Å
684	Q	58.8	Low	64.7	Low	111 Å²	111	60.8 Å²	60.8	52%	0.519	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-54.5	-32.6	-179.2	-71.6	135.3	-67.1	0	0	113.1	E589 R682	E589-Q684 PolarHBondContact OE1-NE2 3.06Å; E589-Q684 PolarHBondContact OE2-NE2 3.48Å; R682-Q684 VanDerWaalsContact C-N 3.32Å; R682-Q684 PolarHBondContact O-N 2.96Å
685	Y	60.5	Low	62	Low	47 Å²	47	68.8 Å²	68.8	18%	0.184	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-111.7	16.5	-174.1	-48.7	-61.2	0	0	0	113	E589 P644 E646 R682 K683	E589-Y685 PolarHBondContact OE2-OH 3.31Å; P644-Y685 HydrophobicContact CB-CG 4.44Å; E646-Y685 HydrophobicContact CB-CD1 3.62Å; E646-Y685 HydrophobicContact CB-CE1 4.4Å; E646-Y685 HydrophobicContact CB-CG 4.27Å; R682-Y685 HydrophobicContact CB-CD2 4.06Å; R682-Y685 PolarHBondContact O-N 3.11Å; K683-Y685 PolarHBondContact O-N 3.12Å; K683-Y685 VanDerWaalsContact O-N 3.14Å
686	I	62.5	Low	59.4	Low	30 Å²	30	77.9 Å²	77.9	15%	0.154	42%	0.415	C	S	.	.			trans	-117.3	98.4	178.2	-69.9	170.2	0	0	0	108.7	P531 V681 R682 K683 E688 W707	P531-I686 HydrophobicContact CB-CB 4.34Å; P531-I686 HydrophobicContact CB-CD1 3.82Å; P531-I686 HydrophobicContact CB-CG2 4.21Å; P531-I686 HydrophobicContact CG-CB 4.29Å; P531-I686 HydrophobicContact CG-CG2 3.83Å; V681-I686 HydrophobicContact CG1-CD1 3.56Å; R682-I686 WeakPolarHBondContact O-CD1 3.39Å; R682-I686 WeakPolarHBondContact O-CG1 3.47Å; K683-I686 PolarHBondContact O-N 3.46Å; I686-E688 PolarHBondContact O-N 3.06Å; I686-W707 HydrophobicContact CG2-CB 4.01Å; I686-W707 VanDerWaalsContact CG2-CD1 3.44Å; I686-W707 HydrophobicContact CG2-CD2 3.87Å; I686-W707 HydrophobicContact CG2-CG 3.53Å
687	L	55.1	Low	56.5	Low	119 Å²	119	83.1 Å²	83.1	62%	0.623	45%	0.452	S	S	*	.			trans	-55	118.3	170.7	-72.5	162	0	0	0	109.7
688	E	47	Very low	53.6	Low	99 Å²	99	89.6 Å²	89.6	46%	0.463	49%	0.486	S	S	.	.			trans	-69.6	140.4	166	-65.2	-173.8	-176	0	0	108.7	I686 S690	I686-E688 PolarHBondContact O-N 3.06Å; E688-S690 PolarHBondContact O-N 3.04Å
689	E	46.6	Very low	50.7	Low	126 Å²	126	96.8 Å²	96.8	59%	0.589	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	18.9	-175.2	-61.9	165.7	113.7	0	0	113.8	K708	E689-K708 IonicContact OE2-NZ 3.72Å; E689-K708 PolarHBondContact OE2-NZ 2.94Å
690	S	35.7	Very low	47.9	Very low	94 Å²	94	103 Å²	103	66%	0.657	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-14.4	-169.1	-53.6	0	0	0	0	114.4	E688	E688-S690 PolarHBondContact O-N 3.04Å
691	T	33.7	Very low	45.3	Very low	106 Å²	106	107 Å²	107	65%	0.65	60%	0.603	S	S	*	*	S	Bend	trans	-128.1	-6.1	-164.7	51.5	0	0	0	0	116.3
692	L	36.7	Very low	43.2	Very low	149 Å²	149	111.6 Å²	111.6	78%	0.78	64%	0.635	S	S	*	*			trans	-106.8	52.9	-174.9	-73.8	174.6	0	0	0	114.3	G694	L692-G694 PolarHBondContact O-N 3.35Å
693	S	36.9	Very low	41.4	Very low	125 Å²	125	115.2 Å²	115.2	87%	0.874	66%	0.663	S	S	*	*			trans	-90.5	67.4	166.3	48	0	0	0	0	111.9
694	G	38.3	Very low	40.9	Very low	58 Å²	58	116.2 Å²	116.2	60%	0.598	68%	0.679	S	S	*	*	S	Bend	trans	160.3	52	171.4	0	0	0	0	0	120.4	L692	L692-G694 PolarHBondContact O-N 3.35Å
695	Q	33.1	Very low	41.1	Very low	195 Å²	195	115.6 Å²	115.6	91%	0.911	68%	0.675	S	S	*	*			trans	-168.7	116.8	145.1	-108.8	157.4	67	0	0	110.6
696	Q	34.5	Very low	41.9	Very low	191 Å²	191	116.4 Å²	116.4	89%	0.893	69%	0.686	S	S	*	*			trans	-97.1	110.5	169	-76.7	179.7	-27.6	0	0	108.7
697	S	29.5	Very low	42.8	Very low	112 Å²	112	117 Å²	117	78%	0.783	69%	0.687	S	S	*	*			trans	-92.6	104.2	165.2	40.7	0	0	0	0	109	M699	S697-M699 PolarHBondContact O-N 2.9Å
698	D	30.2	Very low	44.1	Very low	154 Å²	154	115.9 Å²	115.9	82%	0.824	68%	0.676	S	S	*	*			trans	-67.3	102.6	178.5	-84.5	-46.5	0	0	0	111.4
699	M	28.3	Very low	46	Very low	163 Å²	163	115.7 Å²	115.7	80%	0.803	67%	0.672	S	S	*	*			trans	-128.1	112.9	166	-83	-65.3	-73.7	0	0	110.5	S697 G701	S697-M699 PolarHBondContact O-N 2.9Å; M699-G701 PolarHBondContact O-N 3.49Å
700	P	30.8	Very low	47.8	Very low	134 Å²	134	111.1 Å²	111.1	87%	0.87	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	100.3	-175.4	31.3	-33.8	0	0	0	111.5
701	G	33.2	Very low	50.2	Low	82 Å²	82	106.9 Å²	106.9	85%	0.845	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.8	-45.5	171.7	0	0	0	0	0	115.6	M699	M699-G701 PolarHBondContact O-N 3.49Å
702	S	37.1	Very low	52.7	Low	103 Å²	103	104.1 Å²	104.1	72%	0.72	60%	0.602	S	S	*	*			trans	-148.7	107.3	-179.4	-171.3	0	0	0	0	110.7
703	T	37	Very low	54.9	Low	121 Å²	121	100.2 Å²	100.2	74%	0.742	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-73.9	125.9	162.1	41.4	0	0	0	0	108.1	K705	T703-K705 PolarHBondContact O-N 2.84Å; T703-K705 VanDerWaalsContact O-N 3.12Å
704	P	52.6	Low	57.2	Low	121 Å²	121	94.9 Å²	94.9	79%	0.786	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-60.4	120.7	177.3	24.4	-32.6	0	0	0	108.8
705	K	63.4	Low	59.5	Low	99 Å²	99	92.1 Å²	92.1	43%	0.43	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-71.2	135.1	-176.9	-60.3	-179.9	-169.7	166	0	108.7	T703 W707 W709	T703-K705 PolarHBondContact O-N 2.84Å; T703-K705 VanDerWaalsContact O-N 3.12Å; K705-W707 PolarHBondContact O-N 3.11Å; K705-W709 HydrophobicContact CB-CE3 4.09Å; K705-W709 HydrophobicContact CD-CD2 4.02Å; K705-W709 HydrophobicContact CD-CE3 3.42Å; K705-W709 VanDerWaalsContact CD-CE3 3.42Å; K705-W709 HydrophobicContact CD-CH2 3.98Å; K705-W709 HydrophobicContact CD-CZ2 4.47Å; K705-W709 HydrophobicContact CD-CZ3 3.4Å; K705-W709 HydrophobicContact CG-CE3 4.36Å
706	P	78.1	Confident	62.1	Low	64 Å²	64	83 Å²	83	42%	0.416	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-54	139.1	179.4	-27	34.5	0	0	0	111.4	K708 W709 T710	P706-K708 PolarHBondContact O-N 3.21Å; P706-W709 WeakPolarHBondContact O-CA 3.36Å; P706-W709 VanDerWaalsContact O-CB 3.29Å; P706-W709 WeakPolarHBondContact O-CB 3.32Å; P706-W709 PolarHBondContact O-N 2.85Å; P706-T710 PolarHBondContact O-N 2.96Å
707	W	80.3	Confident	64.6	Low	43 Å²	43	80.8 Å²	80.8	16%	0.163	46%	0.458	C	S	.	.	H	α-helix	trans	-53.1	-33.9	-174.7	66.6	-100.3	0	0	0	113	C528 P531 I686 K705 W709 T710 V711	C528-W707 HydrophobicContact CB-CH2 3.91Å; C528-W707 HydrophobicContact CB-CZ3 3.87Å; P531-W707 HydrophobicContact CB-CH2 4.4Å; P531-W707 HydrophobicContact CB-CZ3 4.27Å; P531-W707 HydrophobicContact CG-CD2 4.5Å; P531-W707 HydrophobicContact CG-CE3 4.48Å; P531-W707 HydrophobicContact CG-CH2 3.87Å; P531-W707 HydrophobicContact CG-CZ2 3.84Å; P531-W707 HydrophobicContact CG-CZ3 4.19Å; I686-W707 HydrophobicContact CG2-CB 4.01Å; I686-W707 VanDerWaalsContact CG2-CD1 3.44Å; I686-W707 HydrophobicContact CG2-CD2 3.87Å; I686-W707 HydrophobicContact CG2-CG 3.53Å; K705-W707 PolarHBondContact O-N 3.11Å; W707-W709 VanDerWaalsContact C-N 3.3Å; W707-W709 PolarHBondContact O-N 3.34Å; W707-T710 WeakPolarHBondContact O-CB 3.32Å; W707-T710 PolarHBondContact O-N 2.95Å; W707-V711 HydrophobicContact CE3-CG2 4.07Å; W707-V711 HydrophobicContact CZ3-CG2 4.49Å; W707-V711 WeakPolarHBondContact O-CG2 3.34Å; W707-V711 PolarHBondContact O-N 3.22Å
708	K	83.9	Confident	67.2	Low	94 Å²	94	75.8 Å²	75.8	41%	0.409	42%	0.423	S	S	.	.	H	α-helix	trans	-57.3	-40.6	174.6	-61.4	163.6	-171	145.9	0	112.2	E689 P706 E712	E689-K708 IonicContact OE2-NZ 3.72Å; E689-K708 PolarHBondContact OE2-NZ 2.94Å; P706-K708 PolarHBondContact O-N 3.21Å; K708-E712 WeakPolarHBondContact O-CB 3.44Å; K708-E712 PolarHBondContact O-N 2.92Å
709	W	85.9	Confident	69.9	Low	95 Å²	95	68.5 Å²	68.5	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-67.4	-43.7	177.1	-173	94.8	0	0	0	111	K705 P706 W707 E712 H713 I714	K705-W709 HydrophobicContact CB-CE3 4.09Å; K705-W709 HydrophobicContact CD-CD2 4.02Å; K705-W709 HydrophobicContact CD-CE3 3.42Å; K705-W709 VanDerWaalsContact CD-CE3 3.42Å; K705-W709 HydrophobicContact CD-CH2 3.98Å; K705-W709 HydrophobicContact CD-CZ2 4.47Å; K705-W709 HydrophobicContact CD-CZ3 3.4Å; K705-W709 HydrophobicContact CG-CE3 4.36Å; P706-W709 WeakPolarHBondContact O-CA 3.36Å; P706-W709 VanDerWaalsContact O-CB 3.29Å; P706-W709 WeakPolarHBondContact O-CB 3.32Å; P706-W709 PolarHBondContact O-N 2.85Å; W707-W709 VanDerWaalsContact C-N 3.3Å; W707-W709 PolarHBondContact O-N 3.34Å; W709-E712 PolarHBondContact O-N 2.92Å; W709-H713 AromaticContact CD1-CE1 3.81Å; W709-H713 AromaticContact CD1-ND1 3.46Å; W709-H713 HydrophobicContact CD2-CB 4.11Å; W709-H713 AromaticContact CD2-ND1 3.97Å; W709-H713 AromaticContact CE2-CG 3.79Å; W709-H713 AromaticContact CE2-ND1 3.8Å; W709-H713 HydrophobicContact CE3-CB 4.28Å; W709-H713 AromaticContact CG-ND1 3.76Å; W709-H713 HydrophobicContact CH2-CB 3.98Å; W709-H713 HydrophobicContact CZ2-CB 3.81Å; W709-H713 HydrophobicContact CZ3-CB 4.22Å; W709-H713 AromaticContact NE1-CE1 3.83Å; W709-H713 AromaticContact NE1-CG 3.81Å; W709-H713 AromaticContact NE1-ND1 3.48Å; W709-H713 PolarHBondContact NE1-ND1 2.8Å; W709-H713 WeakPolarHBondContact O-CB 3.4Å; W709-H713 PolarHBondContact O-N 2.76Å; W709-H713 PolarHBondContact O-ND1 2.83Å; W709-I714 HydrophobicContact CZ3-CD1 3.8Å; W709-I714 HydrophobicContact CZ3-CG1 4.01Å
710	T	84.8	Confident	72.5	Confident	31 Å²	31	64.6 Å²	64.6	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-44.7	176.8	-61.1	0	0	0	0	111.4	Y641 P706 W707 I714 I715	Y641-T710 HydrophobicContact CD2-CG2 3.79Å; Y641-T710 HydrophobicContact CE2-CG2 3.8Å; P706-T710 PolarHBondContact O-N 2.96Å; W707-T710 WeakPolarHBondContact O-CB 3.32Å; W707-T710 PolarHBondContact O-N 2.95Å; T710-I714 HydrophobicContact CG2-CD1 4.17Å; T710-I714 WeakPolarHBondContact O-CA 3.44Å; T710-I714 VanDerWaalsContact O-CB 3.31Å; T710-I714 WeakPolarHBondContact O-CB 3.45Å; T710-I714 PolarHBondContact O-N 2.82Å; T710-I715 PolarHBondContact O-N 2.83Å; T710-I715 VanDerWaalsContact O-N 3.09Å
711	V	85.6	Confident	74.7	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.024	33%	0.334	C	S	.	.	I	π-helix	trans	-59.5	-52.5	174.9	171.2	0	0	0	0	110.6	T547 V681 W707 I715 Y716	T547-V711 HydrophobicContact CG2-CG1 3.95Å; T547-V711 HydrophobicContact CG2-CG2 4.47Å; V681-V711 HydrophobicContact CG1-CG2 3.98Å; W707-V711 HydrophobicContact CE3-CG2 4.07Å; W707-V711 HydrophobicContact CZ3-CG2 4.49Å; W707-V711 WeakPolarHBondContact O-CG2 3.34Å; W707-V711 PolarHBondContact O-N 3.22Å; V711-I715 PolarHBondContact O-N 2.82Å; V711-Y716 HydrophobicContact CG1-CD2 3.6Å; V711-Y716 HydrophobicContact CG1-CE2 3.65Å; V711-Y716 WeakPolarHBondContact O-CD2 3.47Å; V711-Y716 PolarHBondContact O-N 2.94Å
712	E	86.3	Confident	76.8	Confident	49 Å²	49	57.6 Å²	57.6	23%	0.229	30%	0.299	C	S	.	.	I	π-helix	trans	-65.7	-51.1	-178.2	177.7	174.4	-166.3	0	0	113.8	K392 F525 K708 W709	K392-E712 IonicContact NZ-OE1 2.88Å; K392-E712 PolarHBondContact NZ-OE1 2.79Å; F525-E712 HydrophobicContact CD1-CB 4.02Å; F525-E712 HydrophobicContact CD1-CG 3.46Å; F525-E712 VanDerWaalsContact CD1-CG 3.46Å; F525-E712 HydrophobicContact CE1-CB 3.63Å; F525-E712 HydrophobicContact CE1-CG 3.58Å; F525-E712 HydrophobicContact CG-CG 4.06Å; F525-E712 HydrophobicContact CZ-CB 3.9Å; F525-E712 HydrophobicContact CZ-CG 4.28Å; K708-E712 WeakPolarHBondContact O-CB 3.44Å; K708-E712 PolarHBondContact O-N 2.92Å; W709-E712 PolarHBondContact O-N 2.92Å
713	H	83.9	Confident	79.1	Confident	66 Å²	66	53 Å²	53	31%	0.306	27%	0.266	S	S	.	.	I	π-helix	trans	-96.2	-14.8	-164.8	-63.4	87.1	0	0	0	114.1	W709 K717	W709-H713 AromaticContact CD1-CE1 3.81Å; W709-H713 AromaticContact CD1-ND1 3.46Å; W709-H713 HydrophobicContact CD2-CB 4.11Å; W709-H713 AromaticContact CD2-ND1 3.97Å; W709-H713 AromaticContact CE2-CG 3.79Å; W709-H713 AromaticContact CE2-ND1 3.8Å; W709-H713 HydrophobicContact CE3-CB 4.28Å; W709-H713 AromaticContact CG-ND1 3.76Å; W709-H713 HydrophobicContact CH2-CB 3.98Å; W709-H713 HydrophobicContact CZ2-CB 3.81Å; W709-H713 HydrophobicContact CZ3-CB 4.22Å; W709-H713 AromaticContact NE1-CE1 3.83Å; W709-H713 AromaticContact NE1-CG 3.81Å; W709-H713 AromaticContact NE1-ND1 3.48Å; W709-H713 PolarHBondContact NE1-ND1 2.8Å; W709-H713 WeakPolarHBondContact O-CB 3.4Å; W709-H713 PolarHBondContact O-N 2.76Å; W709-H713 PolarHBondContact O-ND1 2.83Å; H713-K717 WeakPolarHBondContact O-CB 3.36Å; H713-K717 WeakPolarHBondContact O-CD 3.48Å
714	I	84.8	Confident	81.3	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.072	23%	0.232	C	C	.	.	I	π-helix	trans	-112.1	-63	175	-59.8	170.1	0	0	0	110	I638 N640 Y641 W709 T710 K717 A718	I638-I714 HydrophobicContact CG2-CG2 3.65Å; N640-I714 HydrophobicContact CB-CD1 4.21Å; N640-I714 VanDerWaalsContact O-CD1 3.3Å; N640-I714 WeakPolarHBondContact O-CD1 3.45Å; Y641-I714 HydrophobicContact CD2-CG2 4.32Å; W709-I714 HydrophobicContact CZ3-CD1 3.8Å; W709-I714 HydrophobicContact CZ3-CG1 4.01Å; T710-I714 HydrophobicContact CG2-CD1 4.17Å; T710-I714 WeakPolarHBondContact O-CA 3.44Å; T710-I714 VanDerWaalsContact O-CB 3.31Å; T710-I714 WeakPolarHBondContact O-CB 3.45Å; T710-I714 PolarHBondContact O-N 2.82Å; I714-K717 WeakPolarHBondContact O-CB 3.49Å; I714-K717 PolarHBondContact O-N 3.49Å; I714-A718 WeakPolarHBondContact O-CB 3.31Å; I714-A718 PolarHBondContact O-N 2.91Å
715	I	87.3	Confident	82.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-67.9	-53.4	-171.9	-59.1	-61.3	0	0	0	112.1	F555 Y641 V681 T710 V711 K717 A718 F719	F555-I715 HydrophobicContact CE2-CD1 4.17Å; F555-I715 HydrophobicContact CZ-CD1 3.73Å; Y641-I715 HydrophobicContact CD2-CD1 3.98Å; Y641-I715 HydrophobicContact CE2-CD1 3.7Å; Y641-I715 HydrophobicContact CE2-CG1 4.21Å; V681-I715 HydrophobicContact CG2-CD1 4.46Å; V681-I715 HydrophobicContact CG2-CG1 4.09Å; T710-I715 PolarHBondContact O-N 2.83Å; T710-I715 VanDerWaalsContact O-N 3.09Å; V711-I715 PolarHBondContact O-N 2.82Å; I715-K717 PolarHBondContact O-N 2.93Å; I715-A718 PolarHBondContact O-N 2.9Å; I715-A718 VanDerWaalsContact O-N 3.08Å; I715-F719 HydrophobicContact CG2-CD1 4.45Å; I715-F719 HydrophobicContact CG2-CE1 3.74Å; I715-F719 HydrophobicContact CG2-CE2 3.83Å; I715-F719 HydrophobicContact CG2-CZ 3.38Å; I715-F719 WeakPolarHBondContact O-CG 3.37Å; I715-F719 PolarHBondContact O-N 3.49Å
716	Y	87.5	Confident	83.9	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-23.9	177.1	-86.6	-92.9	0	0	0	112.7	H523 F525 A534 L545 T547 V711 F719	H523-Y716 AromaticContact CE1-CD1 3.98Å; H523-Y716 PolarHBondContact CE1-O 2.79Å; H523-Y716 VanDerWaalsContact CE1-O 3.23Å; H523-Y716 AromaticContact NE2-CD1 3.61Å; F525-Y716 AromaticContact CD2-CD1 3.76Å; F525-Y716 HydrophobicContact CD2-CD1 3.76Å; F525-Y716 HydrophobicContact CD2-CD2 4.03Å; F525-Y716 HydrophobicContact CD2-CE1 4.29Å; F525-Y716 AromaticContact CD2-CG 3.63Å; F525-Y716 HydrophobicContact CD2-CG 3.63Å; F525-Y716 HydrophobicContact CE2-CD1 4.21Å; F525-Y716 AromaticContact CE2-CD2 3.72Å; F525-Y716 HydrophobicContact CE2-CD2 3.72Å; F525-Y716 HydrophobicContact CE2-CE1 4.48Å; F525-Y716 HydrophobicContact CE2-CE2 4.01Å; F525-Y716 AromaticContact CE2-CG 3.84Å; F525-Y716 HydrophobicContact CE2-CG 3.84Å; A534-Y716 HydrophobicContact CB-CE2 3.99Å; L545-Y716 WeakPolarHBondContact CB-OH 3.5Å; L545-Y716 HydrophobicContact CD1-CE1 3.8Å; T547-Y716 HydrophobicContact CG2-CE2 3.89Å; T547-Y716 WeakPolarHBondContact OG1-CE2 3.48Å; T547-Y716 PolarHBondContact OG1-OH 2.86Å; V711-Y716 HydrophobicContact CG1-CD2 3.6Å; V711-Y716 HydrophobicContact CG1-CE2 3.65Å; V711-Y716 WeakPolarHBondContact O-CD2 3.47Å; V711-Y716 PolarHBondContact O-N 2.94Å; Y716-F719 AromaticContact CD1-CD2 3.69Å; Y716-F719 HydrophobicContact CD1-CD2 3.69Å; Y716-F719 HydrophobicContact CD1-CE2 4.1Å; Y716-F719 HydrophobicContact CD2-CD2 4.22Å; Y716-F719 AromaticContact CD2-CE2 3.99Å; Y716-F719 HydrophobicContact CD2-CE2 3.99Å; Y716-F719 AromaticContact CE1-CD2 3.81Å; Y716-F719 HydrophobicContact CE1-CD2 3.81Å; Y716-F719 AromaticContact CE1-CE2 3.88Å; Y716-F719 HydrophobicContact CE1-CE2 3.88Å; Y716-F719 HydrophobicContact CE2-CD2 4.34Å; Y716-F719 AromaticContact CE2-CE2 3.78Å; Y716-F719 HydrophobicContact CE2-CE2 3.78Å; Y716-F719 AromaticContact CG-CD2 3.89Å; Y716-F719 HydrophobicContact CG-CD2 3.89Å; Y716-F719 HydrophobicContact CG-CE2 4.14Å; Y716-F719 AromaticContact CZ-CE2 3.7Å
717	K	86.1	Confident	84.1	Confident	145 Å²	145	39.6 Å²	39.6	63%	0.63	18%	0.18	S	C	*	.	H	α-helix	trans	-66.6	-47.3	167.7	-174	-169.5	172.2	-160	0	111.1	H713 I714 I715 F719 R720	H713-K717 WeakPolarHBondContact O-CB 3.36Å; H713-K717 WeakPolarHBondContact O-CD 3.48Å; I714-K717 WeakPolarHBondContact O-CB 3.49Å; I714-K717 PolarHBondContact O-N 3.49Å; I715-K717 PolarHBondContact O-N 2.93Å; K717-F719 PolarHBondContact O-N 3.42Å; K717-R720 WeakPolarHBondContact O-CB 3.15Å; K717-R720 PolarHBondContact O-N 2.95Å; K717-R720 VanDerWaalsContact O-N 3.16Å
718	A	85.1	Confident	84.2	Confident	7 Å²	7	41.9 Å²	41.9	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-33.1	-179.9	0	0	0	0	0	113.3	L554 I638 I714 I715 R720 S721 H722	L554-A718 HydrophobicContact CD1-CB 4.29Å; L554-A718 HydrophobicContact CD2-CB 3.85Å; I638-A718 HydrophobicContact CD1-CB 3.9Å; I714-A718 WeakPolarHBondContact O-CB 3.31Å; I714-A718 PolarHBondContact O-N 2.91Å; I715-A718 PolarHBondContact O-N 2.9Å; I715-A718 VanDerWaalsContact O-N 3.08Å; A718-R720 PolarHBondContact O-N 2.81Å; A718-R720 VanDerWaalsContact O-N 3.14Å; A718-S721 PolarHBondContact O-N 2.85Å; A718-S721 PolarHBondContact O-OG 2.78Å; A718-H722 PolarHBondContact O-CD2 2.88Å; A718-H722 PolarHBondContact O-N 2.86Å
719	F	85.8	Confident	84.1	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-56.3	-26.4	171.7	-68	-21	0	0	0	113.5	L550 L554 I715 Y716 K717 L723	L550-F719 HydrophobicContact CB-CE1 3.92Å; L550-F719 HydrophobicContact CB-CE2 3.94Å; L550-F719 HydrophobicContact CB-CZ 3.44Å; L550-F719 VanDerWaalsContact CB-CZ 3.44Å; L550-F719 HydrophobicContact CD1-CE2 4.49Å; L550-F719 VanDerWaalsContact O-CE1 3.29Å; L550-F719 WeakPolarHBondContact O-CE1 3.47Å; L554-F719 HydrophobicContact CB-CD1 4.12Å; L554-F719 HydrophobicContact CB-CE1 3.87Å; L554-F719 HydrophobicContact CD1-CD1 4.35Å; L554-F719 HydrophobicContact CD2-CD1 3.76Å; L554-F719 HydrophobicContact CD2-CE1 3.71Å; L554-F719 HydrophobicContact CG-CD1 4.29Å; L554-F719 HydrophobicContact CG-CE1 4.32Å; I715-F719 HydrophobicContact CG2-CD1 4.45Å; I715-F719 HydrophobicContact CG2-CE1 3.74Å; I715-F719 HydrophobicContact CG2-CE2 3.83Å; I715-F719 HydrophobicContact CG2-CZ 3.38Å; I715-F719 WeakPolarHBondContact O-CG 3.37Å; I715-F719 PolarHBondContact O-N 3.49Å; Y716-F719 AromaticContact CD1-CD2 3.69Å; Y716-F719 HydrophobicContact CD1-CD2 3.69Å; Y716-F719 HydrophobicContact CD1-CE2 4.1Å; Y716-F719 HydrophobicContact CD2-CD2 4.22Å; Y716-F719 AromaticContact CD2-CE2 3.99Å; Y716-F719 HydrophobicContact CD2-CE2 3.99Å; Y716-F719 AromaticContact CE1-CD2 3.81Å; Y716-F719 HydrophobicContact CE1-CD2 3.81Å; Y716-F719 AromaticContact CE1-CE2 3.88Å; Y716-F719 HydrophobicContact CE1-CE2 3.88Å; Y716-F719 HydrophobicContact CE2-CD2 4.34Å; Y716-F719 AromaticContact CE2-CE2 3.78Å; Y716-F719 HydrophobicContact CE2-CE2 3.78Å; Y716-F719 AromaticContact CG-CD2 3.89Å; Y716-F719 HydrophobicContact CG-CD2 3.89Å; Y716-F719 HydrophobicContact CG-CE2 4.14Å; Y716-F719 AromaticContact CZ-CE2 3.7Å; K717-F719 PolarHBondContact O-N 3.42Å; F719-L723 HydrophobicContact CB-CD2 4.45Å; F719-L723 HydrophobicContact CD1-CB 4.24Å; F719-L723 HydrophobicContact CD1-CD2 3.53Å; F719-L723 HydrophobicContact CE1-CD2 3.93Å; F719-L723 HydrophobicContact CG-CD2 4.06Å
720	R	82.9	Confident	83.5	Confident	80 Å²	80	36.4 Å²	36.4	30%	0.302	18%	0.176	S	C	.	.	H	α-helix	trans	-74.3	-31.4	-179.6	-62.1	-177.4	175.8	-177.8	-3.8	113.5	R521 H523 K717 A718	R521-R720 WeakPolarHBondContact O-CG 3.32Å; H523-R720 PolarHBondContact O-NE 2.85Å; H523-R720 PolarHBondContact O-NH2 3.26Å; K717-R720 WeakPolarHBondContact O-CB 3.15Å; K717-R720 PolarHBondContact O-N 2.95Å; K717-R720 VanDerWaalsContact O-N 3.16Å; A718-R720 PolarHBondContact O-N 2.81Å; A718-R720 VanDerWaalsContact O-N 3.14Å
721	S	77.8	Confident	83	Confident	45 Å²	45	42.8 Å²	42.8	32%	0.315	20%	0.204	S	C	.	.	H	α-helix	trans	-106.2	-35.1	-172.3	39.9	0	0	0	0	113.9	A718	A718-S721 PolarHBondContact O-N 2.85Å; A718-S721 PolarHBondContact O-OG 2.78Å
722	H	76.7	Confident	82.5	Confident	25 Å²	25	47.5 Å²	47.5	12%	0.116	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-20.4	-166.6	-49.2	-65.2	0	0	0	115.6	T486 L554 I558 A718	T486-H722 VanDerWaalsContact C-CE1 3.44Å; T486-H722 PolarHBondContact O-CE1 2.8Å; L554-H722 HydrophobicContact CD1-CB 3.81Å; I558-H722 HydrophobicContact CG1-CB 4.33Å; A718-H722 PolarHBondContact O-CD2 2.88Å; A718-H722 PolarHBondContact O-N 2.86Å
723	L	84.9	Confident	82.1	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.233	C	C	.	.			trans	-87.3	122.6	-175.3	-179.9	56.7	0	0	0	112.7	L520 L550 E553 L554 F719 P725	L520-L723 HydrophobicContact CD1-CD2 3.85Å; L520-L723 HydrophobicContact CD1-CG 4.39Å; L550-L723 HydrophobicContact CB-CD2 4.25Å; L550-L723 HydrophobicContact CD2-CD2 3.9Å; E553-L723 HydrophobicContact CB-CD1 4.1Å; E553-L723 HydrophobicContact CG-CD1 3.76Å; L554-L723 HydrophobicContact CB-CD1 4.42Å; L554-L723 HydrophobicContact CD1-CB 4.14Å; F719-L723 HydrophobicContact CB-CD2 4.45Å; F719-L723 HydrophobicContact CD1-CB 4.24Å; F719-L723 HydrophobicContact CD1-CD2 3.53Å; F719-L723 HydrophobicContact CE1-CD2 3.93Å; F719-L723 HydrophobicContact CG-CD2 4.06Å; L723-P725 WeakPolarHBondContact O-CD 3.31Å
724	L	84.8	Confident	82	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.224	C	C	.	.			trans	-103	92	165.5	-178.9	64.5	0	0	0	109.1	I508 R517 Q557 P726	I508-L724 HydrophobicContact CG2-CD2 4.25Å; R517-L724 HydrophobicContact CB-CD1 4.3Å; R517-L724 HydrophobicContact CG-CD1 4.05Å; Q557-L724 PolarHBondContact NE2-O 2.87Å; L724-P726 WeakPolarHBondContact O-CD 3.05Å
725	P	84	Confident	82.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.			trans	-63.3	129.7	-174.2	25.2	-35.5	0	0	0	112.4	H513 L516 R517 L520 L723 F729	H513-P725 PolarHBondContact N-O 2.94Å; L516-P725 HydrophobicContact CB-CB 4.01Å; L516-P725 HydrophobicContact CB-CG 3.39Å; L516-P725 HydrophobicContact CD1-CB 4.19Å; L516-P725 HydrophobicContact CD1-CG 4.46Å; R517-P725 HydrophobicContact CB-CG 4.33Å; L520-P725 HydrophobicContact CD1-CB 4.02Å; L520-P725 HydrophobicContact CD1-CG 3.91Å; L723-P725 WeakPolarHBondContact O-CD 3.31Å; P725-F729 HydrophobicContact CB-CD2 4.36Å
726	P	85.4	Confident	82	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.032	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-62.2	152.5	174.9	-26.6	35	0	0	0	114	R511 E553 L724 H728 F729	R511-P726 WeakPolarHBondContact O-CA 3.48Å; E553-P726 HydrophobicContact CG-CG 3.94Å; L724-P726 WeakPolarHBondContact O-CD 3.05Å; P726-H728 VanDerWaalsContact C-N 3.31Å; P726-H728 WeakPolarHBondContact CB-CE1 3.4Å; P726-H728 PolarHBondContact O-N 2.99Å; P726-F729 HydrophobicContact CG-CZ 4.42Å; P726-F729 PolarHBondContact O-N 3.26Å
727	K	82.6	Confident	81.9	Confident	115 Å²	115	52.4 Å²	52.4	50%	0.5	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-54.9	-39.3	177.7	-73.9	156.2	178.9	160.1	0	113.9	E510 R511 G512 H513 F729 T730	E510-K727 PolarHBondContact O-NZ 3.43Å; R511-K727 WeakPolarHBondContact O-CG 2.86Å; R511-K727 PolarHBondContact O-N 3.04Å; G512-K727 VanDerWaalsContact O-CE 3.23Å; G512-K727 WeakPolarHBondContact O-CE 3.47Å; H513-K727 HydrophobicContact CB-CG 4.02Å; K727-F729 PolarHBondContact O-N 3.2Å; K727-F729 VanDerWaalsContact O-N 3.16Å; K727-T730 PolarHBondContact O-N 3.45Å; K727-T730 PolarHBondContact O-OG1 3.12Å
728	H	81.6	Confident	81.8	Confident	90 Å²	90	49.8 Å²	49.8	42%	0.417	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-65.4	-18.5	-177.6	59.9	-96.4	0	0	0	114	P726 T730 E731 D732	P726-H728 VanDerWaalsContact C-N 3.31Å; P726-H728 WeakPolarHBondContact CB-CE1 3.4Å; P726-H728 PolarHBondContact O-N 2.99Å; H728-T730 PolarHBondContact O-N 2.95Å; H728-T730 VanDerWaalsContact O-N 3.14Å; H728-E731 PolarHBondContact O-N 3Å; H728-D732 IonicContact CD2-OD2 3.08Å; H728-D732 PolarHBondContact CD2-OD2 2.94Å; H728-D732 VanDerWaalsContact CD2-OD2 3.22Å; H728-D732 IonicContact CG-OD2 3.28Å; H728-D732 PolarHBondContact O-N 3.11Å
729	F	82	Confident	81.5	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65.7	-14.8	177.2	-74.1	4.1	0	0	0	114.3	L516 L550 E553 P725 P726 K727 N734 V735	L516-F729 HydrophobicContact CD1-CB 4.23Å; L550-F729 HydrophobicContact CD2-CD2 3.76Å; L550-F729 HydrophobicContact CD2-CE2 3.8Å; E553-F729 HydrophobicContact CB-CE2 4.1Å; E553-F729 HydrophobicContact CB-CZ 3.99Å; E553-F729 HydrophobicContact CG-CE2 4.25Å; E553-F729 HydrophobicContact CG-CZ 4.26Å; P725-F729 HydrophobicContact CB-CD2 4.36Å; P726-F729 HydrophobicContact CG-CZ 4.42Å; P726-F729 PolarHBondContact O-N 3.26Å; K727-F729 PolarHBondContact O-N 3.2Å; K727-F729 VanDerWaalsContact O-N 3.16Å; F729-N734 HydrophobicContact CB-CB 4.35Å; F729-N734 HydrophobicContact CD1-CB 4.3Å; F729-N734 HydrophobicContact CG-CB 4.25Å; F729-V735 HydrophobicContact CB-CG2 4.3Å; F729-V735 PolarHBondContact O-N 3.2Å
730	T	74.5	Confident	81.4	Confident	67 Å²	67	51.9 Å²	51.9	41%	0.411	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-78.4	-21.6	168.2	53.1	0	0	0	0	113.8	L516 K727 H728	L516-T730 HydrophobicContact CD1-CG2 3.65Å; L516-T730 HydrophobicContact CD2-CG2 4.14Å; L516-T730 HydrophobicContact CG-CG2 3.92Å; K727-T730 PolarHBondContact O-N 3.45Å; K727-T730 PolarHBondContact O-OG1 3.12Å; H728-T730 PolarHBondContact O-N 2.95Å; H728-T730 VanDerWaalsContact O-N 3.14Å
731	E	74.1	Confident	80.9	Confident	165 Å²	165	50.2 Å²	50.2	77%	0.771	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-41.5	-170.9	-61.8	-177	175.3	0	0	111.2	H728 G733	H728-E731 PolarHBondContact O-N 3Å; E731-G733 PolarHBondContact O-N 3.1Å
732	D	75.4	Confident	80.4	Confident	102 Å²	102	50.4 Å²	50.4	55%	0.545	27%	0.268	S	S	.	.	S	Bend	trans	-74	7	-179.1	-63.2	-30.5	0	0	0	114.7	H728 N734	H728-D732 IonicContact CD2-OD2 3.08Å; H728-D732 PolarHBondContact CD2-OD2 2.94Å; H728-D732 VanDerWaalsContact CD2-OD2 3.22Å; H728-D732 IonicContact CG-OD2 3.28Å; H728-D732 PolarHBondContact O-N 3.11Å; D732-N734 PolarHBondContact O-N 3.41Å; D732-N734 VanDerWaalsContact O-N 3.12Å
733	G	77.1	Confident	80.1	Confident	31 Å²	31	52.6 Å²	52.6	32%	0.32	28%	0.28	S	S	.	.	S	Bend	trans	70.4	2.5	-179.2	0	0	0	0	0	115.6	E731 V735	E731-G733 PolarHBondContact O-N 3.1Å; G733-V735 PolarHBondContact O-N 2.92Å
734	N	82.8	Confident	79.2	Confident	20 Å²	20	55.8 Å²	55.8	11%	0.107	30%	0.297	C	S	.	.	S	Bend	trans	-61.2	-25.9	176.3	-73.8	-47.8	0	0	0	113.1	N546 F729 D732	N546-N734 HydrophobicContact CB-CB 4.2Å; N546-N734 PolarHBondContact N-O 3.25Å; N546-N734 PolarHBondContact ND2-OD1 2.85Å; F729-N734 HydrophobicContact CB-CB 4.35Å; F729-N734 HydrophobicContact CD1-CB 4.3Å; F729-N734 HydrophobicContact CG-CB 4.25Å; D732-N734 PolarHBondContact O-N 3.41Å; D732-N734 VanDerWaalsContact O-N 3.12Å
735	V	85.4	Confident	77.9	Confident	14 Å²	14	60.5 Å²	60.5	9%	0.085	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	99.9	171.5	178.7	0	0	0	0	109.7	L516 M519 Y543 L545 F729 G733	L516-V735 HydrophobicContact CD2-CG1 3.91Å; M519-V735 HydrophobicContact CE-CG1 3.81Å; Y543-V735 HydrophobicContact CD1-CG1 3.95Å; Y543-V735 HydrophobicContact CE1-CG1 4.47Å; L545-V735 HydrophobicContact CD2-CB 4.12Å; L545-V735 HydrophobicContact CD2-CG1 3.72Å; L545-V735 HydrophobicContact CD2-CG2 3.81Å; F729-V735 HydrophobicContact CB-CG2 4.3Å; F729-V735 PolarHBondContact O-N 3.2Å; G733-V735 PolarHBondContact O-N 2.92Å
736	L	84.8	Confident	76.5	Confident	87 Å²	87	65.8 Å²	65.8	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	-175.4	-176.2	69.2	0	0	0	111.8	Y543 L544 L738	Y543-L736 CarbonylContact C-O 3.54Å; Y543-L736 WeakPolarHBondContact CA-O 3.35Å; L544-L736 HydrophobicContact CB-CB 4.39Å; L544-L736 HydrophobicContact CD2-CD2 4.49Å; L544-L736 PolarHBondContact N-O 3.3Å; L544-L736 PolarHBondContact O-N 3.02Å; L736-L738 HydrophobicContact CD2-CD2 3.88Å; L736-L738 HydrophobicContact CG-CD2 4.28Å; L736-L738 PolarHBondContact O-N 2.83Å; L736-L738 VanDerWaalsContact O-N 3.16Å
737	Q	85.3	Confident	75.2	Confident	83 Å²	83	69.8 Å²	69.8	39%	0.388	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	101.4	174.2	-168	-159.6	-88.1	0	0	110.5	K541 L542 Y543	K541-Q737 HydrophobicContact CB-CG 4.44Å; K541-Q737 HydrophobicContact CD-CG 4.42Å; K541-Q737 VanDerWaalsContact CD-OE1 3.25Å; L542-Q737 CarbonylContact O-C 3.6Å; Y543-Q737 HydrophobicContact CD1-CB 4.03Å; Y543-Q737 HydrophobicContact CD1-CG 4.36Å; Y543-Q737 HydrophobicContact CE1-CB 3.87Å; Y543-Q737 HydrophobicContact CE1-CG 4.01Å
738	L	84.3	Confident	73.7	Confident	90 Å²	90	71.3 Å²	71.3	47%	0.471	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-37.7	-178	-68.1	-174.6	0	0	0	113.9	L535 L542 L544 L736	L535-L738 HydrophobicContact CD2-CD1 3.58Å; L542-L738 PolarHBondContact O-N 3.21Å; L544-L738 HydrophobicContact CB-CD1 3.9Å; L544-L738 HydrophobicContact CB-CD2 4.11Å; L544-L738 HydrophobicContact CB-CG 3.82Å; L544-L738 HydrophobicContact CD2-CD2 4.35Å; L736-L738 HydrophobicContact CD2-CD2 3.88Å; L736-L738 HydrophobicContact CG-CD2 4.28Å; L736-L738 PolarHBondContact O-N 2.83Å; L736-L738 VanDerWaalsContact O-N 3.16Å
739	A	79.8	Confident	72	Confident	28 Å²	28	74.6 Å²	74.6	23%	0.231	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.1	-173.4	0	0	0	0	0	112	K541 L542 L744	K541-A739 WeakPolarHBondContact CA-O 3.34Å; L542-A739 HydrophobicContact CB-CB 4.28Å; L542-A739 PolarHBondContact N-O 2.88Å; L542-A739 PolarHBondContact O-N 2.86Å; A739-L744 HydrophobicContact CB-CD1 4.02Å
740	N	82.4	Confident	70.3	Confident	25 Å²	25	84.5 Å²	84.5	13%	0.134	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.3	170.6	-173.9	33.9	0	0	0	109.1	T540 K541 P742 D743 L744	T540-N740 PolarHBondContact OG1-OD1 3.03Å; T540-N740 VanDerWaalsContact OG1-OD1 3.1Å; K541-N740 HydrophobicContact CG-CB 4.31Å; K541-N740 VanDerWaalsContact CG-OD1 3.3Å; K541-N740 WeakPolarHBondContact CG-OD1 3.46Å; N740-P742 WeakPolarHBondContact OD1-CD 3.24Å; N740-D743 HydrophobicContact CB-CB 4.49Å; N740-D743 PolarHBondContact ND2-OD2 2.82Å; N740-D743 PolarHBondContact O-N 3.03Å; N740-L744 PolarHBondContact O-N 3.04Å
741	L	72.3	Confident	68.6	Low	45 Å²	45	88.5 Å²	88.5	24%	0.236	45%	0.451	C	S	.	.	H	α-helix	trans	-59.5	-44.2	-170.2	-170.3	75.2	0	0	0	113.6	V384 T540 D743 L744 Y745	V384-L741 HydrophobicContact CG2-CD2 3.68Å; T540-L741 WeakPolarHBondContact O-CB 3.49Å; T540-L741 PolarHBondContact O-N 2.55Å; L741-D743 PolarHBondContact O-N 2.8Å; L741-L744 WeakPolarHBondContact O-CB 3.45Å; L741-L744 PolarHBondContact O-N 2.89Å; L741-Y745 HydrophobicContact CD1-CD2 4.31Å; L741-Y745 HydrophobicContact CD1-CE2 3.98Å; L741-Y745 HydrophobicContact CD2-CE2 4.25Å; L741-Y745 HydrophobicContact CG-CD2 3.94Å; L741-Y745 HydrophobicContact CG-CE2 3.85Å; L741-Y745 WeakPolarHBondContact O-CD2 3.37Å; L741-Y745 PolarHBondContact O-N 3.46Å
742	P	69.3	Low	68.4	Low	49 Å²	49	84.7 Å²	84.7	32%	0.318	44%	0.435	S	S	.	.	H	α-helix	trans	-56	-33.8	172.6	-28.8	36	0	0	0	114.9	N740 K746	N740-P742 WeakPolarHBondContact OD1-CD 3.24Å; P742-K746 WeakPolarHBondContact O-CG 3.49Å; P742-K746 PolarHBondContact O-N 3.08Å
743	D	69	Low	68	Low	71 Å²	71	83.8 Å²	83.8	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-84.5	-30.5	-178.3	-59	-46.4	0	0	0	111.7	N740 L741 K746 V747	N740-D743 HydrophobicContact CB-CB 4.49Å; N740-D743 PolarHBondContact ND2-OD2 2.82Å; N740-D743 PolarHBondContact O-N 3.03Å; L741-D743 PolarHBondContact O-N 2.8Å; D743-K746 PolarHBondContact O-N 2.91Å; D743-K746 IonicContact OD1-NZ 2.67Å; D743-K746 PolarHBondContact OD1-NZ 3.34Å; D743-V747 WeakPolarHBondContact O-CG2 3.34Å; D743-V747 PolarHBondContact O-N 3.34Å; D743-V747 VanDerWaalsContact O-N 3.16Å
744	L	65.4	Low	67.5	Low	73 Å²	73	86.7 Å²	86.7	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-58.1	-48	162.4	-95.9	71.1	0	0	0	110.7	A739 N740 L741 K746 V747 F748	A739-L744 HydrophobicContact CB-CD1 4.02Å; N740-L744 PolarHBondContact O-N 3.04Å; L741-L744 WeakPolarHBondContact O-CB 3.45Å; L741-L744 PolarHBondContact O-N 2.89Å; L744-K746 PolarHBondContact O-N 2.82Å; L744-V747 PolarHBondContact O-N 3.4Å; L744-F748 HydrophobicContact CB-CD2 4.35Å; L744-F748 HydrophobicContact CB-CE2 4.44Å; L744-F748 HydrophobicContact CD2-CE2 4.41Å; L744-F748 HydrophobicContact CG-CE2 4.41Å; L744-F748 WeakPolarHBondContact O-CD2 3.38Å; L744-F748 PolarHBondContact O-N 3.13Å
745	Y	57.5	Low	66.6	Low	102 Å²	102	90.6 Å²	90.6	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-43.8	177.8	-90.7	-74.8	0	0	0	112.4	A380 L741 V747 F748 E749	A380-Y745 VanDerWaalsContact CB-OH 3.24Å; A380-Y745 WeakPolarHBondContact CB-OH 3.21Å; L741-Y745 HydrophobicContact CD1-CD2 4.31Å; L741-Y745 HydrophobicContact CD1-CE2 3.98Å; L741-Y745 HydrophobicContact CD2-CE2 4.25Å; L741-Y745 HydrophobicContact CG-CD2 3.94Å; L741-Y745 HydrophobicContact CG-CE2 3.85Å; L741-Y745 WeakPolarHBondContact O-CD2 3.37Å; L741-Y745 PolarHBondContact O-N 3.46Å; Y745-V747 PolarHBondContact O-N 3.21Å; Y745-F748 CarbonylContact O-C 3.57Å; Y745-F748 PolarHBondContact O-N 3.09Å; Y745-F748 VanDerWaalsContact O-N 3.16Å; Y745-E749 WeakPolarHBondContact O-CB 3.41Å; Y745-E749 WeakPolarHBondContact O-CG 3.42Å; Y745-E749 PolarHBondContact O-N 3.02Å
746	K	56.1	Low	65.4	Low	111 Å²	111	95.4 Å²	95.4	48%	0.483	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-25.9	174.4	-69.6	167.8	-161.5	160	0	114	P742 D743 L744 R750	P742-K746 WeakPolarHBondContact O-CG 3.49Å; P742-K746 PolarHBondContact O-N 3.08Å; D743-K746 PolarHBondContact O-N 2.91Å; D743-K746 IonicContact OD1-NZ 2.67Å; D743-K746 PolarHBondContact OD1-NZ 3.34Å; L744-K746 PolarHBondContact O-N 2.82Å; K746-R750 VanDerWaalsContact O-CD 3.24Å; K746-R750 WeakPolarHBondContact O-CD 3.39Å; K746-R750 WeakPolarHBondContact O-CG 3.3Å
747	V	57.2	Low	64.1	Low	90 Å²	90	96 Å²	96	55%	0.545	48%	0.48	S	S	.	.	H	α-helix	trans	-79.8	-44.6	173	172.2	0	0	0	0	110.3	D743 L744 Y745 E749 R750 C751	D743-V747 WeakPolarHBondContact O-CG2 3.34Å; D743-V747 PolarHBondContact O-N 3.34Å; D743-V747 VanDerWaalsContact O-N 3.16Å; L744-V747 PolarHBondContact O-N 3.4Å; Y745-V747 PolarHBondContact O-N 3.21Å; V747-E749 VanDerWaalsContact C-N 3.35Å; V747-E749 PolarHBondContact O-N 2.67Å; V747-R750 CarbonylContact O-C 3.53Å; V747-R750 PolarHBondContact O-N 3.39Å; V747-C751 PolarHBondContact O-N 2.66Å; V747-C751 PolarHBondContact O-SG 3.39Å; V747-C751 VanDerWaalsContact O-SG 3.39Å
748	F	50.4	Low	62.6	Low	146 Å²	146	96.9 Å²	96.9	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-70.9	-21.3	178.3	-76.1	-64.9	0	0	0	114.7	L744 Y745 R750	L744-F748 HydrophobicContact CB-CD2 4.35Å; L744-F748 HydrophobicContact CB-CE2 4.44Å; L744-F748 HydrophobicContact CD2-CE2 4.41Å; L744-F748 HydrophobicContact CG-CE2 4.41Å; L744-F748 WeakPolarHBondContact O-CD2 3.38Å; L744-F748 PolarHBondContact O-N 3.13Å; Y745-F748 CarbonylContact O-C 3.57Å; Y745-F748 PolarHBondContact O-N 3.09Å; Y745-F748 VanDerWaalsContact O-N 3.16Å; F748-R750 VanDerWaalsContact C-N 3.29Å
749	E	45.8	Very low	60.9	Low	159 Å²	159	97.5 Å²	97.5	74%	0.743	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.8	168.6	-72.2	-173.2	149.2	0	0	113.1	Y745 V747	Y745-E749 WeakPolarHBondContact O-CB 3.41Å; Y745-E749 WeakPolarHBondContact O-CG 3.42Å; Y745-E749 PolarHBondContact O-N 3.02Å; V747-E749 VanDerWaalsContact C-N 3.35Å; V747-E749 PolarHBondContact O-N 2.67Å
750	R	47	Very low	59.3	Low	216 Å²	216	103.3 Å²	103.3	82%	0.815	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	9.1	177.4	-70.9	178.2	177.7	-174.6	-2.5	113	K746 V747 F748	K746-R750 VanDerWaalsContact O-CD 3.24Å; K746-R750 WeakPolarHBondContact O-CD 3.39Å; K746-R750 WeakPolarHBondContact O-CG 3.3Å; V747-R750 CarbonylContact O-C 3.53Å; V747-R750 PolarHBondContact O-N 3.39Å; F748-R750 VanDerWaalsContact C-N 3.29Å
751	C	39.7	Very low	57.2	Low	152 Å²	152	110.4 Å²	110.4	100%	1.027	54%	0.543	S	S	*	.			trans	-124.8	0	179.5	-69.2	0	0	0	0	110.4	V747	V747-C751 PolarHBondContact O-N 2.66Å; V747-C751 PolarHBondContact O-SG 3.39Å; V747-C751 VanDerWaalsContact O-SG 3.39Å

Retrieved 751 of 751 residues in 502.3 ms (Link to these results)

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