A0A096LSH3_POEFO Loading...

Receptor-type tyrosine-protein phosphatase C

AlphaFold DB , UniProt , Accession A0A096LSH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 704 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	41.5	Very low	56.7	Low	244 Å²	244	116.8 Å²	116.8	100%	1.202	66%	0.662	S	S	*	*				0	99.7	0	-94.6	-160.8	-102.2	0	0	108.9
2	S	30.3	Very low	59.3	Low	112 Å²	112	111.8 Å²	111.8	78%	0.783	64%	0.64	S	S	*	*			trans	-160	86.6	140.7	-173.6	0	0	0	0	103.9	I4	S2-I4 VanDerWaalsContact C-N 3.35Å; S2-I4 PolarHBondContact O-N 3.47Å; S2-I4 VanDerWaalsContact O-N 3.12Å
3	L	38.4	Very low	62.1	Low	168 Å²	168	106.2 Å²	106.2	88%	0.88	61%	0.606	S	S	*	*			trans	-68.5	98.2	169.8	-83.9	147	0	0	0	105.6	A5	L3-A5 VanDerWaalsContact C-N 3.34Å; L3-A5 PolarHBondContact O-N 3.08Å; L3-A5 VanDerWaalsContact O-N 3.11Å
4	I	36.6	Very low	64.5	Low	150 Å²	150	104.6 Å²	104.6	77%	0.769	59%	0.592	S	S	*	*			trans	-63.4	109.7	153.2	-60.5	174.1	0	0	0	103.4	S2 Q6	S2-I4 VanDerWaalsContact C-N 3.35Å; S2-I4 PolarHBondContact O-N 3.47Å; S2-I4 VanDerWaalsContact O-N 3.12Å; I4-Q6 PolarHBondContact O-N 3.26Å
5	A	37.8	Very low	66.4	Low	86 Å²	86	106.5 Å²	106.5	71%	0.711	61%	0.61	S	S	*	*			trans	-53.7	112.3	171.4	0	0	0	0	0	106.7	L3 G7	L3-A5 VanDerWaalsContact C-N 3.34Å; L3-A5 PolarHBondContact O-N 3.08Å; L3-A5 VanDerWaalsContact O-N 3.11Å; A5-G7 VanDerWaalsContact C-N 3.33Å; A5-G7 PolarHBondContact O-N 2.82Å
6	Q	48.2	Very low	68.2	Low	175 Å²	175	101.6 Å²	101.6	82%	0.818	58%	0.583	S	S	*	*			trans	-59	106.5	163.7	-77.5	176.1	-32.2	0	0	105	I4 N8	I4-Q6 PolarHBondContact O-N 3.26Å; Q6-N8 PolarHBondContact O-N 2.91Å
7	G	57	Low	69.8	Low	55 Å²	55	105.3 Å²	105.3	57%	0.567	59%	0.594	S	S	*	*			trans	-52.5	138.1	169.7	0	0	0	0	0	108	A5 D9	A5-G7 VanDerWaalsContact C-N 3.33Å; A5-G7 PolarHBondContact O-N 2.82Å; G7-D9 PolarHBondContact O-N 3.04Å
8	N	76.4	Confident	71.3	Confident	87 Å²	87	102 Å²	102	47%	0.465	58%	0.577	S	S	.	*			trans	-65.1	120.9	175.7	171.9	28.3	0	0	0	107.3	Q6 E10 D11	Q6-N8 PolarHBondContact O-N 2.91Å; N8-E10 PolarHBondContact O-N 3.46Å; N8-E10 PolarHBondContact OD1-N 3Å; N8-D11 PolarHBondContact ND2-OD1 2.9Å; N8-D11 VanDerWaalsContact O-CB 3.3Å; N8-D11 WeakPolarHBondContact O-CB 3.33Å; N8-D11 PolarHBondContact O-N 3.24Å
9	D	82.9	Confident	72.7	Confident	40 Å²	40	97.4 Å²	97.4	21%	0.214	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-56.1	-21.6	-178.3	-62.5	-43.7	0	0	0	112.3	G7 D11 S12 P47 F50 S51	G7-D9 PolarHBondContact O-N 3.04Å; D9-D11 VanDerWaalsContact C-N 3.31Å; D9-S12 PolarHBondContact O-OG 3.32Å; D9-P47 HydrophobicContact CB-CB 4.24Å; D9-P47 HydrophobicContact CB-CG 3.92Å; D9-P47 WeakPolarHBondContact O-CG 3.44Å; D9-F50 HydrophobicContact CB-CD1 3.98Å; D9-F50 HydrophobicContact CB-CE1 4.32Å; D9-S51 VanDerWaalsContact OD2-CB 3.29Å; D9-S51 WeakPolarHBondContact OD2-CB 3.18Å; D9-S51 PolarHBondContact OD2-N 3.39Å; D9-S51 PolarHBondContact OD2-OG 2.94Å
10	E	87.1	Confident	74	Confident	45 Å²	45	94.6 Å²	94.6	21%	0.21	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-70.7	-24.7	174.3	-58.3	-73.4	-179.9	0	0	113.1	N8 S12 L13 R52 R276	N8-E10 PolarHBondContact O-N 3.46Å; N8-E10 PolarHBondContact OD1-N 3Å; E10-S12 PolarHBondContact O-N 2.71Å; E10-L13 WeakPolarHBondContact O-CB 3.38Å; E10-L13 PolarHBondContact O-N 3.15Å; E10-L13 WeakPolarHBondContact OE2-CD1 3.5Å; E10-R52 IonicContact OE1-CZ 2.97Å; E10-R52 IonicContact OE1-NH1 3.52Å; E10-R52 PolarHBondContact OE1-NH1 3.45Å; E10-R52 IonicContact OE1-NH2 3.36Å; E10-R52 PolarHBondContact OE1-NH2 3.16Å; E10-R276 VanDerWaalsContact CD-NH2 3.34Å; E10-R276 IonicContact OE1-CZ 3.7Å; E10-R276 IonicContact OE1-NE 2.75Å; E10-R276 IonicContact OE1-NH2 3.86Å; E10-R276 PolarHBondContact OE1-NH2 3.32Å; E10-R276 IonicContact OE2-CZ 2.7Å; E10-R276 IonicContact OE2-NH2 3.71Å; E10-R276 PolarHBondContact OE2-NH2 3.43Å
11	D	86.9	Confident	75	Confident	123 Å²	123	91 Å²	91	66%	0.658	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-73	-17.7	-177.3	-61	-7.6	0	0	0	112.1	N8 D9 L13	N8-D11 PolarHBondContact ND2-OD1 2.9Å; N8-D11 VanDerWaalsContact O-CB 3.3Å; N8-D11 WeakPolarHBondContact O-CB 3.33Å; N8-D11 PolarHBondContact O-N 3.24Å; D9-D11 VanDerWaalsContact C-N 3.31Å; D11-L13 VanDerWaalsContact C-N 3.35Å
12	S	88.7	Confident	77.6	Confident	57 Å²	57	86.4 Å²	86.4	40%	0.399	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-82.5	-13.5	175.5	75.9	0	0	0	0	113.2	D9 E10 S45 P47	D9-S12 PolarHBondContact O-OG 3.32Å; E10-S12 PolarHBondContact O-N 2.71Å; S12-S45 CarbonylContact C-O 3.48Å; S12-S45 WeakPolarHBondContact O-CB 3.41Å; S12-S45 VanDerWaalsContact O-O 3.11Å; S12-S45 PolarHBondContact OG-O 3.21Å; S12-P47 WeakPolarHBondContact OG-CG 3.49Å
13	L	95.7	Very high	80.8	Confident	38 Å²	38	84.7 Å²	84.7	20%	0.199	48%	0.476	C	S	.	.			trans	-72	140.2	-176.5	-63.3	-179.7	0	0	0	111.6	E10 D11 P47 Y268 V272	E10-L13 WeakPolarHBondContact O-CB 3.38Å; E10-L13 PolarHBondContact O-N 3.15Å; E10-L13 WeakPolarHBondContact OE2-CD1 3.5Å; D11-L13 VanDerWaalsContact C-N 3.35Å; L13-P47 VanDerWaalsContact CD2-CD 3.46Å; L13-P47 HydrophobicContact CD2-CG 4.42Å; L13-Y268 WeakPolarHBondContact CA-OH 3.34Å; L13-Y268 WeakPolarHBondContact CD2-OH 3.44Å; L13-V272 HydrophobicContact CD1-CG1 3.92Å; L13-V272 HydrophobicContact CD2-CG1 4.27Å; L13-V272 HydrophobicContact CD2-CG2 3.72Å
14	M	95.6	Very high	83.6	Confident	84 Å²	84	77.2 Å²	77.2	41%	0.414	44%	0.436	S	S	.	.			trans	-90.7	144.2	175.8	-71.7	-179.8	55.3	0	0	111	V16 E42 Y268	M14-V16 VanDerWaalsContact C-N 3.27Å; M14-V16 HydrophobicContact CB-CG2 3.89Å; M14-V16 PolarHBondContact O-N 3.13Å; M14-E42 HydrophobicContact CE-CG 4.37Å; M14-Y268 PolarHBondContact N-OH 2.68Å; M14-Y268 WeakPolarHBondContact O-CE1 2.91Å
15	P	93.3	Very high	86.4	Confident	133 Å²	133	72.3 Å²	72.3	86%	0.864	41%	0.412	S	S	*	.			trans	-78.2	78.6	169.4	33.1	-33.4	0	0	0	109.7
16	V	95.3	Very high	89.2	Confident	29 Å²	29	74.1 Å²	74.1	18%	0.176	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-86.4	123.4	175.3	-176.2	0	0	0	0	108.9	M14 E42 Y268	M14-V16 VanDerWaalsContact C-N 3.27Å; M14-V16 HydrophobicContact CB-CG2 3.89Å; M14-V16 PolarHBondContact O-N 3.13Å; V16-E42 HydrophobicContact CG2-CG 4.15Å; V16-Y268 HydrophobicContact CB-CD1 3.81Å; V16-Y268 HydrophobicContact CB-CD2 4.38Å; V16-Y268 HydrophobicContact CB-CG 3.73Å; V16-Y268 HydrophobicContact CG1-CG 4.31Å; V16-Y268 HydrophobicContact CG2-CD1 3.8Å; V16-Y268 HydrophobicContact CG2-CD2 3.75Å; V16-Y268 HydrophobicContact CG2-CE1 4.15Å; V16-Y268 HydrophobicContact CG2-CE2 4.09Å; V16-Y268 HydrophobicContact CG2-CG 3.59Å
17	E	95.1	Very high	91.6	Very high	164 Å²	164	66.3 Å²	66.3	77%	0.766	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-78.4	144.7	178	-66.7	-171.4	163.3	0	0	111.6
18	P	96.9	Very high	93.5	Very high	46 Å²	46	65.1 Å²	65.1	30%	0.299	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-57.3	138.8	170.6	-25.3	35.6	0	0	0	111.7	P20 I265 D266	P18-P20 WeakPolarHBondContact O-CD 3.48Å; P18-I265 CarbonylContact C-O 3.54Å; P18-I265 VanDerWaalsContact CA-O 3.24Å; P18-I265 WeakPolarHBondContact CA-O 2.93Å; P18-D266 HydrophobicContact CB-CB 4.1Å; P18-D266 HydrophobicContact CG-CB 4Å
19	I	97.9	Very high	94.5	Very high	15 Å²	15	66 Å²	66	8%	0.077	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.6	-173.6	-50.2	164.8	0	0	0	109.3	L23 L24 T27 R264 I265	I19-L23 HydrophobicContact CG2-CB 4.4Å; I19-L24 HydrophobicContact CB-CD2 4.03Å; I19-L24 HydrophobicContact CG2-CD2 3.67Å; I19-L24 HydrophobicContact CG2-CG 4.29Å; I19-T27 HydrophobicContact CD1-CG2 3.7Å; I19-T27 HydrophobicContact CG1-CG2 4.17Å; I19-T27 HydrophobicContact CG2-CG2 4.21Å; I19-R264 CarbonylContact O-C 3.6Å; I19-R264 WeakPolarHBondContact O-CA 3.28Å; I19-R264 WeakPolarHBondContact O-CB 3.29Å; I19-I265 HydrophobicContact CB-CG1 4.19Å; I19-I265 PolarHBondContact N-O 3.16Å; I19-I265 PolarHBondContact O-N 3.15Å
20	P	97.7	Very high	95.1	Very high	41 Å²	41	70.1 Å²	70.1	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	147.8	170.6	-21.3	33.6	0	0	0	112.4	P18 E22 L23 L24	P18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-E22 VanDerWaalsContact C-N 3.27Å; P20-E22 VanDerWaalsContact CB-CD 3.46Å; P20-E22 HydrophobicContact CB-CG 4.44Å; P20-E22 WeakPolarHBondContact CB-OE1 3.33Å; P20-E22 WeakPolarHBondContact CB-OE2 3.46Å; P20-E22 PolarHBondContact O-N 2.83Å; P20-L23 HydrophobicContact CG-CD1 4.21Å; P20-L23 PolarHBondContact O-N 3.49Å; P20-L24 PolarHBondContact O-N 3.34Å
21	A	96.4	Very high	95.6	Very high	18 Å²	18	68.4 Å²	68.4	15%	0.149	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-52.3	-43	-177.7	0	0	0	0	0	113	L23 L24 L259 G263 N299	A21-L23 VanDerWaalsContact C-N 3.25Å; A21-L23 PolarHBondContact O-N 3.4Å; A21-L24 WeakPolarHBondContact O-CB 3.47Å; A21-L24 WeakPolarHBondContact O-CG 3.45Å; A21-L24 PolarHBondContact O-N 3.25Å; A21-L259 HydrophobicContact CB-CD1 3.76Å; A21-G263 WeakPolarHBondContact CB-O 3.23Å; A21-G263 PolarHBondContact N-O 3.41Å; A21-N299 PolarHBondContact O-ND2 3.05Å
22	E	96.4	Very high	96	Very high	149 Å²	149	65 Å²	65	70%	0.696	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.7	-21.5	-179.6	66.8	-82.7	-166.1	0	0	113.8	P20	P20-E22 VanDerWaalsContact C-N 3.27Å; P20-E22 VanDerWaalsContact CB-CD 3.46Å; P20-E22 HydrophobicContact CB-CG 4.44Å; P20-E22 WeakPolarHBondContact CB-OE1 3.33Å; P20-E22 WeakPolarHBondContact CB-OE2 3.46Å; P20-E22 PolarHBondContact O-N 2.83Å
23	L	97.4	Very high	96.2	Very high	75 Å²	75	64.6 Å²	64.6	39%	0.393	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-100.6	1.3	179.7	-60.3	-175.6	0	0	0	113.3	I19 P20 A21 L25 T27	I19-L23 HydrophobicContact CG2-CB 4.4Å; P20-L23 HydrophobicContact CG-CD1 4.21Å; P20-L23 PolarHBondContact O-N 3.49Å; A21-L23 VanDerWaalsContact C-N 3.25Å; A21-L23 PolarHBondContact O-N 3.4Å; L23-L25 PolarHBondContact O-N 3.06Å; L23-T27 WeakPolarHBondContact O-CB 3.32Å; L23-T27 PolarHBondContact O-N 3.39Å; L23-T27 PolarHBondContact O-OG1 2.75Å
24	L	96	Very high	96.1	Very high	11 Å²	11	69.5 Å²	69.5	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-48.1	-174.9	-77.1	174.4	0	0	0	112.9	I19 P20 A21 T27 Y28 L259 I265 L296 N299	I19-L24 HydrophobicContact CB-CD2 4.03Å; I19-L24 HydrophobicContact CG2-CD2 3.67Å; I19-L24 HydrophobicContact CG2-CG 4.29Å; P20-L24 PolarHBondContact O-N 3.34Å; A21-L24 WeakPolarHBondContact O-CB 3.47Å; A21-L24 WeakPolarHBondContact O-CG 3.45Å; A21-L24 PolarHBondContact O-N 3.25Å; L24-T27 PolarHBondContact O-N 2.95Å; L24-Y28 VanDerWaalsContact O-CB 3.25Å; L24-Y28 WeakPolarHBondContact O-CB 3.41Å; L24-Y28 PolarHBondContact O-N 2.83Å; L24-L259 HydrophobicContact CD1-CD1 4.2Å; L24-I265 HydrophobicContact CD1-CD1 4.38Å; L24-I265 HydrophobicContact CD2-CD1 3.25Å; L24-I265 HydrophobicContact CD2-CG1 3.73Å; L24-I265 HydrophobicContact CG-CD1 4.46Å; L24-L296 HydrophobicContact CB-CD1 4.14Å; L24-N299 HydrophobicContact CD1-CB 3.81Å
25	L	96.1	Very high	96	Very high	47 Å²	47	74.4 Å²	74.4	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-47.5	-177.6	179.7	61.7	0	0	0	111.7	L23 Y28 K29 L296 V704	L23-L25 PolarHBondContact O-N 3.06Å; L25-Y28 PolarHBondContact O-N 3.47Å; L25-K29 HydrophobicContact CD1-CD 4.41Å; L25-K29 HydrophobicContact CD1-CG 4.49Å; L25-K29 HydrophobicContact CG-CD 4.43Å; L25-K29 WeakPolarHBondContact O-CG 3.45Å; L25-K29 PolarHBondContact O-N 3.4Å; L25-L296 HydrophobicContact CB-CD1 3.86Å; L25-L296 HydrophobicContact CD1-CD1 4.05Å; L25-L296 HydrophobicContact CD1-CD2 3.97Å; L25-V704 HydrophobicContact CD2-CB 4.47Å; L25-V704 HydrophobicContact CD2-CG2 4.41Å
26	E	97.3	Very high	96	Very high	125 Å²	125	68.2 Å²	68.2	58%	0.584	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-44.9	179.5	-172.1	-171.3	157	0	0	110.9	Y28 K29 R30	E26-Y28 PolarHBondContact O-N 3.31Å; E26-K29 PolarHBondContact O-N 3.22Å; E26-R30 WeakPolarHBondContact O-CB 3.31Å; E26-R30 PolarHBondContact O-N 3.09Å
27	T	97.3	Very high	96.1	Very high	11 Å²	11	76 Å²	76	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-42.9	178.1	-66.1	0	0	0	0	111.6	I19 L23 L24 R30 K31	I19-T27 HydrophobicContact CD1-CG2 3.7Å; I19-T27 HydrophobicContact CG1-CG2 4.17Å; I19-T27 HydrophobicContact CG2-CG2 4.21Å; L23-T27 WeakPolarHBondContact O-CB 3.32Å; L23-T27 PolarHBondContact O-N 3.39Å; L23-T27 PolarHBondContact O-OG1 2.75Å; L24-T27 PolarHBondContact O-N 2.95Å; T27-R30 PolarHBondContact O-N 2.91Å; T27-R30 PolarHBondContact OG1-NH2 2.73Å; T27-K31 HydrophobicContact CG2-CD 4.26Å; T27-K31 HydrophobicContact CG2-CG 4.41Å; T27-K31 WeakPolarHBondContact O-CB 3.49Å; T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 2.6Å
28	Y	97.2	Very high	96.2	Very high	29 Å²	29	72.4 Å²	72.4	11%	0.114	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-49.8	175.9	179.5	-97.3	0	0	0	111.5	L24 L25 E26 R30 K31 L32 F39 I289 H292 Q293 L296	L24-Y28 VanDerWaalsContact O-CB 3.25Å; L24-Y28 WeakPolarHBondContact O-CB 3.41Å; L24-Y28 PolarHBondContact O-N 2.83Å; L25-Y28 PolarHBondContact O-N 3.47Å; E26-Y28 PolarHBondContact O-N 3.31Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.41Å; Y28-K31 PolarHBondContact O-N 3.27Å; Y28-L32 HydrophobicContact CE1-CD2 3.77Å; Y28-L32 WeakPolarHBondContact O-CB 3.36Å; Y28-L32 PolarHBondContact O-N 3.09Å; Y28-F39 HydrophobicContact CD2-CE2 4.17Å; Y28-F39 AromaticContact CD2-CZ 3.68Å; Y28-F39 HydrophobicContact CD2-CZ 3.68Å; Y28-F39 HydrophobicContact CE2-CE2 4.05Å; Y28-F39 AromaticContact CE2-CZ 3.87Å; Y28-F39 HydrophobicContact CE2-CZ 3.87Å; Y28-I289 HydrophobicContact CE2-CG2 4.17Å; Y28-H292 HydrophobicContact CD2-CB 3.94Å; Y28-H292 HydrophobicContact CE2-CB 4.18Å; Y28-Q293 HydrophobicContact CE2-CG 3.69Å; Y28-Q293 WeakPolarHBondContact OH-CG 3.45Å; Y28-Q293 PolarHBondContact OH-NE2 3.37Å; Y28-L296 HydrophobicContact CD1-CD2 3.67Å; Y28-L296 HydrophobicContact CD2-CD2 4.48Å; Y28-L296 HydrophobicContact CE1-CD2 4.3Å; Y28-L296 HydrophobicContact CG-CD2 3.78Å
29	K	96.7	Very high	96.2	Very high	105 Å²	105	70.2 Å²	70.2	46%	0.457	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-44.7	177.2	-75.7	179.7	175	-178.7	0	111.9	L25 E26 L32 A33	L25-K29 HydrophobicContact CD1-CD 4.41Å; L25-K29 HydrophobicContact CD1-CG 4.49Å; L25-K29 HydrophobicContact CG-CD 4.43Å; L25-K29 WeakPolarHBondContact O-CG 3.45Å; L25-K29 PolarHBondContact O-N 3.4Å; E26-K29 PolarHBondContact O-N 3.22Å; K29-L32 PolarHBondContact O-N 3.16Å; K29-A33 PolarHBondContact O-N 3.05Å; K29-A33 VanDerWaalsContact O-N 3.09Å
30	R	97.2	Very high	96.2	Very high	128 Å²	128	72.4 Å²	72.4	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.6	-178.3	-176.6	65.3	-122.1	-0.3	111.9	E26 T27 Y28 L38	E26-R30 WeakPolarHBondContact O-CB 3.31Å; E26-R30 PolarHBondContact O-N 3.09Å; T27-R30 PolarHBondContact O-N 2.91Å; T27-R30 PolarHBondContact OG1-NH2 2.73Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.41Å; R30-L38 HydrophobicContact CG-CD1 4.29Å
31	K	96.6	Very high	96.2	Very high	9 Å²	9	72 Å²	72	4%	0.039	36%	0.355	C	S	.	.	H	α-helix	trans	-70.1	-32.3	-179.1	-72.7	-172.7	-175.3	-167.4	0	113	T27 Y28 G36 L38 F39 E42	T27-K31 HydrophobicContact CG2-CD 4.26Å; T27-K31 HydrophobicContact CG2-CG 4.41Å; T27-K31 WeakPolarHBondContact O-CB 3.49Å; T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 2.6Å; Y28-K31 PolarHBondContact O-N 3.27Å; K31-G36 WeakPolarHBondContact O-CA 3.36Å; K31-L38 HydrophobicContact CB-CB 4.33Å; K31-L38 HydrophobicContact CG-CB 4.33Å; K31-F39 HydrophobicContact CB-CD1 4.05Å; K31-F39 HydrophobicContact CB-CD2 3.73Å; K31-F39 HydrophobicContact CB-CE1 3.75Å; K31-F39 HydrophobicContact CB-CE2 3.42Å; K31-F39 VanDerWaalsContact CB-CE2 3.42Å; K31-F39 HydrophobicContact CB-CG 4.03Å; K31-F39 HydrophobicContact CB-CZ 3.42Å; K31-F39 VanDerWaalsContact CB-CZ 3.42Å; K31-F39 HydrophobicContact CD-CD1 3.92Å; K31-F39 HydrophobicContact CD-CE1 3.49Å; K31-F39 VanDerWaalsContact CD-CE1 3.49Å; K31-F39 HydrophobicContact CD-CZ 3.92Å; K31-F39 HydrophobicContact CG-CE1 4.29Å; K31-F39 HydrophobicContact CG-CZ 4.33Å; K31-F39 WeakPolarHBondContact O-CD2 3.46Å; K31-E42 WeakPolarHBondContact CE-OE1 3.39Å; K31-E42 IonicContact NZ-OE1 2.7Å; K31-E42 PolarHBondContact NZ-OE1 3.22Å; K31-E42 IonicContact NZ-OE2 2.68Å; K31-E42 PolarHBondContact NZ-OE2 3.49Å
32	L	94.6	Very high	96.3	Very high	52 Å²	52	72 Å²	72	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-77.7	-24.3	178.9	-168.8	64.4	0	0	0	113.2	Y28 K29 G36 F39	Y28-L32 HydrophobicContact CE1-CD2 3.77Å; Y28-L32 WeakPolarHBondContact O-CB 3.36Å; Y28-L32 PolarHBondContact O-N 3.09Å; K29-L32 PolarHBondContact O-N 3.16Å; L32-G36 PolarHBondContact O-N 2.79Å; L32-F39 HydrophobicContact CB-CE2 4.02Å; L32-F39 HydrophobicContact CD1-CD2 4.42Å; L32-F39 HydrophobicContact CD1-CE2 4.35Å
33	A	94.4	Very high	96.3	Very high	48 Å²	48	66 Å²	66	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-56.5	159.4	176.3	0	0	0	0	0	112.1	K29 E35 G36	K29-A33 PolarHBondContact O-N 3.05Å; K29-A33 VanDerWaalsContact O-N 3.09Å; A33-E35 PolarHBondContact O-N 3.49Å; A33-G36 PolarHBondContact O-N 3.14Å
34	D	93.3	Very high	96.3	Very high	140 Å²	140	69 Å²	69	75%	0.749	34%	0.336	S	S	*	.	H	α-helix	trans	51.4	52.1	-178.3	-55.1	-31.7	0	0	0	112.4	G36 R37	D34-G36 PolarHBondContact O-N 3.45Å; D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 PolarHBondContact O-N 3.35Å
35	E	92.1	Very high	96.4	Very high	187 Å²	187	69.2 Å²	69.2	87%	0.874	34%	0.338	S	S	*	.	H	α-helix	trans	58.2	31.9	179.3	-59.1	174.8	-177.1	0	0	113.6	A33 R37	A33-E35 PolarHBondContact O-N 3.49Å; E35-R37 VanDerWaalsContact C-N 3.29Å; E35-R37 PolarHBondContact O-N 2.84Å
36	G	94.8	Very high	96.5	Very high	3 Å²	3	67.1 Å²	67.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	73.4	16.6	177.6	0	0	0	0	0	114.3	K31 L32 A33 D34 L38 F39 L40	K31-G36 WeakPolarHBondContact O-CA 3.36Å; L32-G36 PolarHBondContact O-N 2.79Å; A33-G36 PolarHBondContact O-N 3.14Å; D34-G36 PolarHBondContact O-N 3.45Å; G36-L38 PolarHBondContact O-N 3.23Å; G36-F39 WeakPolarHBondContact O-CA 3.48Å; G36-F39 WeakPolarHBondContact O-CB 3.08Å; G36-F39 PolarHBondContact O-N 3.36Å; G36-L40 PolarHBondContact O-N 3.29Å
37	R	96.4	Very high	96.5	Very high	192 Å²	192	61.8 Å²	61.8	73%	0.725	30%	0.303	S	S	*	.	H	α-helix	trans	-51.6	-34.2	-174.8	-178.9	176.9	176.1	164.9	1.5	114.4	D34 E35 G41	D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 PolarHBondContact O-N 3.35Å; E35-R37 VanDerWaalsContact C-N 3.29Å; E35-R37 PolarHBondContact O-N 2.84Å; R37-G41 PolarHBondContact O-N 2.73Å
38	L	97.1	Very high	96.3	Very high	90 Å²	90	68.8 Å²	68.8	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-72.9	-38.2	176.9	-67.8	179.3	0	0	0	112.2	R30 K31 G36 L40 G41 E42	R30-L38 HydrophobicContact CG-CD1 4.29Å; K31-L38 HydrophobicContact CB-CB 4.33Å; K31-L38 HydrophobicContact CG-CB 4.33Å; G36-L38 PolarHBondContact O-N 3.23Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L38-G41 PolarHBondContact O-N 3.42Å; L38-E42 WeakPolarHBondContact O-CG 3.36Å; L38-E42 PolarHBondContact O-N 2.85Å
39	F	97.9	Very high	96.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-46.5	170.6	-78.9	-57.5	0	0	0	111.3	Y28 K31 L32 G36 G41 E42 F43 Y288 I289 H292	Y28-F39 HydrophobicContact CD2-CE2 4.17Å; Y28-F39 AromaticContact CD2-CZ 3.68Å; Y28-F39 HydrophobicContact CD2-CZ 3.68Å; Y28-F39 HydrophobicContact CE2-CE2 4.05Å; Y28-F39 AromaticContact CE2-CZ 3.87Å; Y28-F39 HydrophobicContact CE2-CZ 3.87Å; K31-F39 HydrophobicContact CB-CD1 4.05Å; K31-F39 HydrophobicContact CB-CD2 3.73Å; K31-F39 HydrophobicContact CB-CE1 3.75Å; K31-F39 HydrophobicContact CB-CE2 3.42Å; K31-F39 VanDerWaalsContact CB-CE2 3.42Å; K31-F39 HydrophobicContact CB-CG 4.03Å; K31-F39 HydrophobicContact CB-CZ 3.42Å; K31-F39 VanDerWaalsContact CB-CZ 3.42Å; K31-F39 HydrophobicContact CD-CD1 3.92Å; K31-F39 HydrophobicContact CD-CE1 3.49Å; K31-F39 VanDerWaalsContact CD-CE1 3.49Å; K31-F39 HydrophobicContact CD-CZ 3.92Å; K31-F39 HydrophobicContact CG-CE1 4.29Å; K31-F39 HydrophobicContact CG-CZ 4.33Å; K31-F39 WeakPolarHBondContact O-CD2 3.46Å; L32-F39 HydrophobicContact CB-CE2 4.02Å; L32-F39 HydrophobicContact CD1-CD2 4.42Å; L32-F39 HydrophobicContact CD1-CE2 4.35Å; G36-F39 WeakPolarHBondContact O-CA 3.48Å; G36-F39 WeakPolarHBondContact O-CB 3.08Å; G36-F39 PolarHBondContact O-N 3.36Å; F39-G41 VanDerWaalsContact C-N 3.35Å; F39-G41 PolarHBondContact O-N 3.17Å; F39-E42 PolarHBondContact O-N 2.98Å; F39-F43 WeakPolarHBondContact O-CB 3.31Å; F39-F43 PolarHBondContact O-N 2.95Å; F39-Y288 HydrophobicContact CD1-CD1 4.29Å; F39-Y288 HydrophobicContact CD1-CE1 4.13Å; F39-I289 HydrophobicContact CB-CD1 4.01Å; F39-I289 HydrophobicContact CB-CG1 3.95Å; F39-I289 HydrophobicContact CD1-CG1 4.11Å; F39-I289 HydrophobicContact CD2-CD1 4.06Å; F39-I289 HydrophobicContact CD2-CG1 3.95Å; F39-I289 HydrophobicContact CE2-CG1 4.45Å; F39-I289 HydrophobicContact CG-CD1 4.12Å; F39-I289 HydrophobicContact CG-CG1 3.76Å; F39-H292 HydrophobicContact CE1-CB 4.41Å; F39-H292 AromaticContact CE1-CD2 3.47Å; F39-H292 VanDerWaalsContact CE1-CD2 3.47Å; F39-H292 WeakPolarHBondContact CE1-CD2 3.44Å; F39-H292 AromaticContact CE1-CG 3.78Å; F39-H292 AromaticContact CE1-NE2 3.65Å; F39-H292 HydrophobicContact CZ-CB 4.44Å
40	L	97.4	Very high	96.1	Very high	61 Å²	61	66.4 Å²	66.4	32%	0.319	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-47	177.9	-175.8	61.3	0	0	0	111.4	G36 L38 F43 Q44 E285	G36-L40 PolarHBondContact O-N 3.29Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L40-F43 PolarHBondContact O-N 3.27Å; L40-Q44 HydrophobicContact CD1-CG 3.95Å; L40-Q44 HydrophobicContact CG-CG 4.32Å; L40-Q44 VanDerWaalsContact O-CB 3.3Å; L40-Q44 WeakPolarHBondContact O-CB 3.28Å; L40-Q44 VanDerWaalsContact O-CG 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.22Å; L40-E285 VanDerWaalsContact CA-OE1 3.31Å; L40-E285 WeakPolarHBondContact CA-OE1 3.47Å; L40-E285 WeakPolarHBondContact CB-OE1 3.47Å; L40-E285 PolarHBondContact N-OE1 3.07Å; L40-E285 VanDerWaalsContact N-OE1 3.07Å
41	G	97.6	Very high	95.8	Very high	32 Å²	32	63.9 Å²	63.9	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-46.7	178.2	0	0	0	0	0	112.9	R37 L38 F39 S45	R37-G41 PolarHBondContact O-N 2.73Å; L38-G41 PolarHBondContact O-N 3.42Å; F39-G41 VanDerWaalsContact C-N 3.35Å; F39-G41 PolarHBondContact O-N 3.17Å; G41-S45 WeakPolarHBondContact O-CB 3.35Å; G41-S45 PolarHBondContact O-N 3.43Å; G41-S45 VanDerWaalsContact O-N 3.13Å
42	E	97.6	Very high	95.6	Very high	18 Å²	18	69.7 Å²	69.7	8%	0.084	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-52.4	173.7	-76.5	-177.6	-172	0	0	111.2	M14 V16 K31 L38 F39 Q44 S45 Y268 Y288	M14-E42 HydrophobicContact CE-CG 4.37Å; V16-E42 HydrophobicContact CG2-CG 4.15Å; K31-E42 WeakPolarHBondContact CE-OE1 3.39Å; K31-E42 IonicContact NZ-OE1 2.7Å; K31-E42 PolarHBondContact NZ-OE1 3.22Å; K31-E42 IonicContact NZ-OE2 2.68Å; K31-E42 PolarHBondContact NZ-OE2 3.49Å; L38-E42 WeakPolarHBondContact O-CG 3.36Å; L38-E42 PolarHBondContact O-N 2.85Å; F39-E42 PolarHBondContact O-N 2.98Å; E42-Q44 PolarHBondContact O-N 2.94Å; E42-S45 WeakPolarHBondContact O-CB 3.42Å; E42-S45 PolarHBondContact O-N 3.19Å; E42-S45 VanDerWaalsContact O-N 3.15Å; E42-S45 PolarHBondContact O-OG 2.97Å; E42-Y268 HydrophobicContact CB-CD2 4.23Å; E42-Y268 HydrophobicContact CB-CE2 4.4Å; E42-Y268 WeakPolarHBondContact O-CE2 3.43Å; E42-Y288 HydrophobicContact CB-CE1 4.33Å; E42-Y288 PolarHBondContact OE2-OH 3.21Å; E42-Y288 VanDerWaalsContact OE2-OH 3.04Å
43	F	98.1	Very high	95.7	Very high	24 Å²	24	69.7 Å²	69.7	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-42.1	-176.1	-179.8	-104.4	0	0	0	112.8	F39 L40 S45 I46 V282 V284 E285 Y288	F39-F43 WeakPolarHBondContact O-CB 3.31Å; F39-F43 PolarHBondContact O-N 2.95Å; L40-F43 PolarHBondContact O-N 3.27Å; F43-S45 VanDerWaalsContact C-N 3.31Å; F43-S45 PolarHBondContact O-N 3.4Å; F43-I46 PolarHBondContact O-N 3Å; F43-V282 HydrophobicContact CE2-CG1 4.31Å; F43-V282 WeakPolarHBondContact CE2-O 3.34Å; F43-V284 VanDerWaalsContact CZ-C 3.42Å; F43-E285 HydrophobicContact CD1-CB 4.05Å; F43-E285 HydrophobicContact CE1-CB 4.42Å; F43-E285 HydrophobicContact CG-CB 4.41Å; F43-Y288 HydrophobicContact CB-CD1 4.26Å; F43-Y288 HydrophobicContact CD2-CD1 4.43Å; F43-Y288 HydrophobicContact CD2-CD2 4.24Å; F43-Y288 AromaticContact CD2-CG 3.88Å; F43-Y288 HydrophobicContact CD2-CG 3.88Å
44	Q	97.2	Very high	95.8	Very high	138 Å²	138	69.5 Å²	69.5	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-69.9	-26.2	178.4	-73.1	-179.4	-15.8	0	0	113.2	L40 E42 I46	L40-Q44 HydrophobicContact CD1-CG 3.95Å; L40-Q44 HydrophobicContact CG-CG 4.32Å; L40-Q44 VanDerWaalsContact O-CB 3.3Å; L40-Q44 WeakPolarHBondContact O-CB 3.28Å; L40-Q44 VanDerWaalsContact O-CG 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.22Å; E42-Q44 PolarHBondContact O-N 2.94Å; Q44-I46 PolarHBondContact O-N 3.21Å
45	S	97.8	Very high	96	Very high	14 Å²	14	64.1 Å²	64.1	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-67.8	-25	176.6	78.3	0	0	0	0	113	S12 G41 E42 F43 P47 Y268	S12-S45 CarbonylContact C-O 3.48Å; S12-S45 WeakPolarHBondContact O-CB 3.41Å; S12-S45 VanDerWaalsContact O-O 3.11Å; S12-S45 PolarHBondContact OG-O 3.21Å; G41-S45 WeakPolarHBondContact O-CB 3.35Å; G41-S45 PolarHBondContact O-N 3.43Å; G41-S45 VanDerWaalsContact O-N 3.13Å; E42-S45 WeakPolarHBondContact O-CB 3.42Å; E42-S45 PolarHBondContact O-N 3.19Å; E42-S45 VanDerWaalsContact O-N 3.15Å; E42-S45 PolarHBondContact O-OG 2.97Å; F43-S45 VanDerWaalsContact C-N 3.31Å; F43-S45 PolarHBondContact O-N 3.4Å; S45-P47 WeakPolarHBondContact O-CD 3.46Å; S45-Y268 VanDerWaalsContact OG-CE2 3.27Å; S45-Y268 WeakPolarHBondContact OG-CE2 3.36Å; S45-Y268 PolarHBondContact OG-OH 2.86Å
46	I	98	Very high	96.3	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.015	30%	0.302	C	S	.	.	S	Bend	trans	-77.1	119.3	179.1	-51.6	176.1	0	0	0	109	F43 Q44 R48 Y268 V271 V272 R275 Y288	F43-I46 PolarHBondContact O-N 3Å; Q44-I46 PolarHBondContact O-N 3.21Å; I46-R48 PolarHBondContact O-N 2.83Å; I46-Y268 HydrophobicContact CD1-CD2 3.9Å; I46-Y268 HydrophobicContact CD1-CE2 3.81Å; I46-Y268 HydrophobicContact CG1-CD2 4.04Å; I46-Y268 HydrophobicContact CG1-CE2 3.4Å; I46-Y268 VanDerWaalsContact CG1-CE2 3.4Å; I46-V271 HydrophobicContact CD1-CB 4.17Å; I46-V271 HydrophobicContact CD1-CG1 3.81Å; I46-V272 HydrophobicContact CD1-CG2 4.35Å; I46-V272 HydrophobicContact CG1-CG2 4.09Å; I46-V272 HydrophobicContact CG2-CG2 3.97Å; I46-R275 HydrophobicContact CG2-CG 4.48Å; I46-R275 PolarHBondContact O-NH1 2.94Å; I46-Y288 HydrophobicContact CD1-CE2 4.36Å
47	P	96.8	Very high	96.4	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.084	31%	0.311	C	S	.	.			trans	-53.6	137	175.9	-26.3	34	0	0	0	112	D9 S12 L13 S45 I49 F50 R275	D9-P47 HydrophobicContact CB-CB 4.24Å; D9-P47 HydrophobicContact CB-CG 3.92Å; D9-P47 WeakPolarHBondContact O-CG 3.44Å; S12-P47 WeakPolarHBondContact OG-CG 3.49Å; L13-P47 VanDerWaalsContact CD2-CD 3.46Å; L13-P47 HydrophobicContact CD2-CG 4.42Å; S45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-I49 VanDerWaalsContact C-N 3.31Å; P47-F50 HydrophobicContact CB-CD2 4.42Å; P47-F50 HydrophobicContact CB-CE1 4.44Å; P47-F50 HydrophobicContact CB-CE2 4.2Å; P47-F50 HydrophobicContact CB-CZ 4.2Å; P47-F50 HydrophobicContact CG-CE1 3.96Å; P47-F50 HydrophobicContact CG-CE2 4.32Å; P47-F50 HydrophobicContact CG-CZ 3.83Å; P47-R275 WeakPolarHBondContact O-CD 3.44Å; P47-R275 PolarHBondContact O-NH1 2.9Å
48	R	94.4	Very high	96.4	Very high	158 Å²	158	55.3 Å²	55.3	60%	0.596	28%	0.276	S	S	*	.	S	Bend	trans	-65.8	-38.2	174.9	-73.9	-171.4	84.7	-174.4	1.1	111.6	I46 L280	I46-R48 PolarHBondContact O-N 2.83Å; R48-L280 HydrophobicContact CB-CD2 3.5Å; R48-L280 HydrophobicContact CB-CG 4.49Å; R48-L280 HydrophobicContact CG-CD2 3.75Å; R48-L280 PolarHBondContact O-N 3.35Å
49	I	93.9	Very high	96.4	Very high	84 Å²	84	58 Å²	58	43%	0.431	28%	0.284	S	S	.	.	S	Bend	trans	-140.9	130.8	179.1	-54.5	-178.1	0	0	0	106.9	P47 S51 Y75 C279	P47-I49 VanDerWaalsContact C-N 3.31Å; I49-S51 PolarHBondContact O-N 3.12Å; I49-Y75 HydrophobicContact CG2-CE1 4.24Å; I49-Y75 WeakPolarHBondContact CG2-OH 3.29Å; I49-C279 HydrophobicContact CG1-CB 4.08Å
50	F	94.2	Very high	96.4	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	30%	0.303	C	S	.	.			trans	-84.3	108.9	168.8	-76.7	-92	0	0	0	109.6	D9 P47 R52 Y53 Y75 V272 R275 R276	D9-F50 HydrophobicContact CB-CD1 3.98Å; D9-F50 HydrophobicContact CB-CE1 4.32Å; P47-F50 HydrophobicContact CB-CD2 4.42Å; P47-F50 HydrophobicContact CB-CE1 4.44Å; P47-F50 HydrophobicContact CB-CE2 4.2Å; P47-F50 HydrophobicContact CB-CZ 4.2Å; P47-F50 HydrophobicContact CG-CE1 3.96Å; P47-F50 HydrophobicContact CG-CE2 4.32Å; P47-F50 HydrophobicContact CG-CZ 3.83Å; F50-R52 PolarHBondContact O-N 3.36Å; F50-Y53 HydrophobicContact CB-CD2 3.46Å; F50-Y53 VanDerWaalsContact CB-CD2 3.46Å; F50-Y53 HydrophobicContact CB-CE2 3.57Å; F50-Y53 HydrophobicContact CG-CD2 4.43Å; F50-Y53 HydrophobicContact CG-CE2 4.1Å; F50-Y53 PolarHBondContact O-N 3.43Å; F50-Y75 PolarHBondContact N-OH 3.4Å; F50-Y75 VanDerWaalsContact N-OH 3.11Å; F50-V272 HydrophobicContact CZ-CG1 4.13Å; F50-R275 HydrophobicContact CD2-CB 4.3Å; F50-R275 WeakPolarHBondContact CD2-O 3.33Å; F50-R275 HydrophobicContact CE2-CB 3.95Å; F50-R276 HydrophobicContact CD1-CG 4.33Å; F50-R276 HydrophobicContact CD2-CG 3.88Å; F50-R276 HydrophobicContact CE1-CG 4.21Å; F50-R276 HydrophobicContact CE2-CG 3.75Å; F50-R276 HydrophobicContact CG-CG 4.17Å; F50-R276 HydrophobicContact CZ-CG 3.93Å
51	S	90.6	Very high	96.4	Very high	75 Å²	75	63.7 Å²	63.7	52%	0.524	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.6	-172.8	62.4	0	0	0	0	114	D9 I49 Y53	D9-S51 VanDerWaalsContact OD2-CB 3.29Å; D9-S51 WeakPolarHBondContact OD2-CB 3.18Å; D9-S51 PolarHBondContact OD2-N 3.39Å; D9-S51 PolarHBondContact OD2-OG 2.94Å; I49-S51 PolarHBondContact O-N 3.12Å; S51-Y53 PolarHBondContact O-N 2.83Å
52	R	93.1	Very high	96.3	Very high	131 Å²	131	64.7 Å²	64.7	49%	0.494	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	176.7	70.5	175.5	179.9	-150.2	-9.7	114	E10 F50	E10-R52 IonicContact OE1-CZ 2.97Å; E10-R52 IonicContact OE1-NH1 3.52Å; E10-R52 PolarHBondContact OE1-NH1 3.45Å; E10-R52 IonicContact OE1-NH2 3.36Å; E10-R52 PolarHBondContact OE1-NH2 3.16Å; F50-R52 PolarHBondContact O-N 3.36Å
53	Y	96.1	Very high	96.2	Very high	52 Å²	52	63.9 Å²	63.9	20%	0.204	32%	0.321	C	S	.	.	S	Bend	trans	-92	124.7	-178.6	-57.1	-61.1	0	0	0	110.9	F50 S51 Y75 Y77 R276	F50-Y53 HydrophobicContact CB-CD2 3.46Å; F50-Y53 VanDerWaalsContact CB-CD2 3.46Å; F50-Y53 HydrophobicContact CB-CE2 3.57Å; F50-Y53 HydrophobicContact CG-CD2 4.43Å; F50-Y53 HydrophobicContact CG-CE2 4.1Å; F50-Y53 PolarHBondContact O-N 3.43Å; S51-Y53 PolarHBondContact O-N 2.83Å; Y53-Y75 VanDerWaalsContact CB-CD1 3.44Å; Y53-Y75 HydrophobicContact CD2-CD2 4.24Å; Y53-Y75 HydrophobicContact CD2-CE2 4.01Å; Y53-Y75 HydrophobicContact CG-CD2 4.36Å; Y53-Y75 HydrophobicContact CG-CG 4.37Å; Y53-Y77 AromaticContact CD1-CD1 3.78Å; Y53-Y77 HydrophobicContact CD1-CD1 3.78Å; Y53-Y77 AromaticContact CD1-CE1 3.55Å; Y53-Y77 HydrophobicContact CD1-CE1 3.55Å; Y53-Y77 HydrophobicContact CD2-CE1 4.47Å; Y53-Y77 HydrophobicContact CE1-CD1 4.34Å; Y53-Y77 AromaticContact CE1-CE1 3.85Å; Y53-Y77 HydrophobicContact CE1-CE1 3.85Å; Y53-Y77 HydrophobicContact CG-CD1 4.29Å; Y53-Y77 AromaticContact CG-CE1 3.89Å; Y53-Y77 HydrophobicContact CG-CE1 3.89Å; Y53-R276 HydrophobicContact CE2-CB 3.81Å; Y53-R276 HydrophobicContact CE2-CG 4Å; Y53-R276 WeakPolarHBondContact CE2-O 3.49Å
54	A	97.6	Very high	96.2	Very high	43 Å²	43	65.1 Å²	65.1	36%	0.355	34%	0.335	S	S	.	.			trans	-74.2	150.5	-179.1	0	0	0	0	0	112.1	K56 Y75 D76	A54-K56 HydrophobicContact CB-CD 4.44Å; A54-K56 HydrophobicContact CB-CG 4.27Å; A54-Y75 CarbonylContact O-C 3.59Å; A54-Y75 WeakPolarHBondContact O-CA 3.14Å; A54-D76 VanDerWaalsContact C-OD2 3.27Å; A54-D76 HydrophobicContact CB-CB 4.49Å; A54-D76 WeakPolarHBondContact CB-OD2 3.48Å; A54-D76 PolarHBondContact O-N 2.87Å
55	V	97.7	Very high	96.2	Very high	27 Å²	27	62.6 Å²	62.6	16%	0.164	33%	0.331	C	S	.	.			trans	-130	32.5	174.7	-64.4	0	0	0	0	110.6	E57 A58 K59 L73 Y75 D76	V55-E57 VanDerWaalsContact C-N 3.31Å; V55-E57 PolarHBondContact O-N 3.39Å; V55-A58 PolarHBondContact O-N 3.26Å; V55-K59 HydrophobicContact CG2-CD 3.97Å; V55-K59 HydrophobicContact CG2-CG 4.33Å; V55-K59 WeakPolarHBondContact O-CG 3.39Å; V55-K59 PolarHBondContact O-N 3.23Å; V55-L73 HydrophobicContact CB-CB 4.26Å; V55-L73 HydrophobicContact CG1-CB 4.26Å; V55-L73 HydrophobicContact CG2-CD1 4.35Å; V55-Y75 HydrophobicContact CG1-CD1 3.6Å; V55-Y75 HydrophobicContact CG1-CE1 4.06Å; V55-D76 VanDerWaalsContact C-OD1 3.3Å; V55-D76 WeakPolarHBondContact CA-OD1 3.42Å; V55-D76 PolarHBondContact N-OD2 2.99Å
56	K	97.5	Very high	96.2	Very high	154 Å²	154	63.8 Å²	63.8	67%	0.67	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-38.4	-171.3	-67.3	172.9	-177.4	176.6	0	111.4	A54 K59 K60 D76	A54-K56 HydrophobicContact CB-CD 4.44Å; A54-K56 HydrophobicContact CB-CG 4.27Å; K56-K59 PolarHBondContact O-N 3.23Å; K56-K60 PolarHBondContact O-N 2.63Å; K56-D76 WeakPolarHBondContact CB-OD2 3.26Å; K56-D76 VanDerWaalsContact N-CG 3.3Å; K56-D76 PolarHBondContact N-OD1 3.5Å; K56-D76 PolarHBondContact N-OD2 3.14Å
57	E	97.1	Very high	96.2	Very high	43 Å²	43	64.4 Å²	64.4	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-45	-178.8	-66.7	-60.5	129	0	0	111.1	V55 K59 K60 N63 D76 R79	V55-E57 VanDerWaalsContact C-N 3.31Å; V55-E57 PolarHBondContact O-N 3.39Å; E57-K59 PolarHBondContact O-N 2.89Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 WeakPolarHBondContact OE1-CE 3.44Å; E57-K60 IonicContact OE1-NZ 2.75Å; E57-K60 PolarHBondContact OE1-NZ 2.88Å; E57-K60 VanDerWaalsContact OE2-CE 3.32Å; E57-K60 WeakPolarHBondContact OE2-CE 3.41Å; E57-K60 IonicContact OE2-NZ 2.79Å; E57-K60 PolarHBondContact OE2-NZ 2.93Å; E57-N63 PolarHBondContact O-ND2 2.92Å; E57-D76 WeakPolarHBondContact CB-OD1 3.39Å; E57-D76 PolarHBondContact N-OD1 3.33Å; E57-R79 IonicContact OE2-NH2 2.58Å
58	A	97.5	Very high	96.2	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.008	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.4	179.1	0	0	0	0	0	113.7	V55 N67 L73 P74 Y93	V55-A58 PolarHBondContact O-N 3.26Å; A58-N67 PolarHBondContact O-ND2 3.24Å; A58-N67 VanDerWaalsContact O-ND2 3.1Å; A58-L73 HydrophobicContact CB-CB 3.8Å; A58-L73 HydrophobicContact CB-CD1 4.23Å; A58-L73 HydrophobicContact CB-CD2 4.11Å; A58-L73 HydrophobicContact CB-CG 4.26Å; A58-P74 HydrophobicContact CB-CG 4.25Å; A58-Y93 HydrophobicContact CB-CE2 3.77Å; A58-Y93 VanDerWaalsContact CB-OH 3.27Å; A58-Y93 WeakPolarHBondContact CB-OH 3.13Å
59	K	97.3	Very high	96.4	Very high	146 Å²	146	62.6 Å²	62.6	64%	0.635	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.3	179.2	-71.9	-176.3	174.7	177.1	0	114.5	V55 K56 E57 L73	V55-K59 HydrophobicContact CG2-CD 3.97Å; V55-K59 HydrophobicContact CG2-CG 4.33Å; V55-K59 WeakPolarHBondContact O-CG 3.39Å; V55-K59 PolarHBondContact O-N 3.23Å; K56-K59 PolarHBondContact O-N 3.23Å; E57-K59 PolarHBondContact O-N 2.89Å; K59-L73 HydrophobicContact CD-CD1 4.42Å; K59-L73 HydrophobicContact CG-CD1 3.68Å
60	K	97.4	Very high	96.5	Very high	90 Å²	90	65 Å²	65	39%	0.391	35%	0.348	S	S	.	.	S	Bend	trans	-60.8	142.3	175.4	-71.6	179.3	177.9	169.8	0	110.1	K56 E57 C62 N63 A64	K56-K60 PolarHBondContact O-N 2.63Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 WeakPolarHBondContact OE1-CE 3.44Å; E57-K60 IonicContact OE1-NZ 2.75Å; E57-K60 PolarHBondContact OE1-NZ 2.88Å; E57-K60 VanDerWaalsContact OE2-CE 3.32Å; E57-K60 WeakPolarHBondContact OE2-CE 3.41Å; E57-K60 IonicContact OE2-NZ 2.79Å; E57-K60 PolarHBondContact OE2-NZ 2.93Å; K60-C62 PolarHBondContact O-N 3.42Å; K60-C62 VanDerWaalsContact O-N 3.17Å; K60-N63 HydrophobicContact CB-CB 4.34Å; K60-N63 PolarHBondContact O-N 3.12Å; K60-A64 PolarHBondContact O-N 3.3Å
61	A	96.7	Very high	96.6	Very high	91 Å²	91	69.6 Å²	69.6	75%	0.752	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.5	-178.3	0	0	0	0	0	113.3	N63 P65	A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.48Å; A61-P65 WeakPolarHBondContact O-CD 3.44Å
62	C	94.9	Very high	97	Very high	53 Å²	53	66.2 Å²	66.2	36%	0.358	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.1	175.9	59.9	0	0	0	0	113.9	K60 A89	K60-C62 PolarHBondContact O-N 3.42Å; K60-C62 VanDerWaalsContact O-N 3.17Å; C62-A89 HydrophobicContact CB-CB 4.37Å
63	N	97.1	Very high	97.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-24.2	-177.3	-67.8	-12.9	0	0	0	112.4	E57 K60 A61 P65 K66 G90 Y93	E57-N63 PolarHBondContact O-ND2 2.92Å; K60-N63 HydrophobicContact CB-CB 4.34Å; K60-N63 PolarHBondContact O-N 3.12Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 3.48Å; N63-P65 VanDerWaalsContact C-CD 3.48Å; N63-P65 VanDerWaalsContact C-N 3.35Å; N63-K66 WeakPolarHBondContact O-CA 3.44Å; N63-K66 VanDerWaalsContact O-CB 3.31Å; N63-K66 WeakPolarHBondContact O-CB 3.46Å; N63-K66 PolarHBondContact O-N 2.72Å; N63-G90 WeakPolarHBondContact OD1-CA 3.49Å; N63-G90 PolarHBondContact OD1-O 3.24Å; N63-Y93 HydrophobicContact CB-CD1 3.6Å; N63-Y93 HydrophobicContact CB-CD2 4.34Å; N63-Y93 HydrophobicContact CB-CE1 3.89Å; N63-Y93 HydrophobicContact CB-CG 3.83Å; N63-Y93 VanDerWaalsContact CG-CB 3.45Å; N63-Y93 VanDerWaalsContact CG-CG 3.4Å; N63-Y93 WeakPolarHBondContact ND2-CB 3.14Å; N63-Y93 WeakPolarHBondContact OD1-CB 3.36Å
64	A	96.9	Very high	97.3	Very high	49 Å²	49	58.2 Å²	58.2	41%	0.405	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-52.9	-42.7	-179.4	0	0	0	0	0	113.7	K60 K66 N67	K60-A64 PolarHBondContact O-N 3.3Å; A64-K66 PolarHBondContact O-N 2.99Å; A64-N67 PolarHBondContact O-N 2.98Å; A64-N67 VanDerWaalsContact O-N 3.17Å
65	P	97	Very high	97.4	Very high	85 Å²	85	56.2 Å²	56.2	55%	0.552	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.9	176.4	-22	34.7	0	0	0	114.3	A61 N63 N67 K115	A61-P65 WeakPolarHBondContact O-CD 3.44Å; N63-P65 VanDerWaalsContact C-CD 3.48Å; N63-P65 VanDerWaalsContact C-N 3.35Å; P65-N67 VanDerWaalsContact C-N 3.27Å; P65-N67 PolarHBondContact O-N 2.89Å; P65-K115 PolarHBondContact O-NZ 3.45Å
66	K	97.6	Very high	97.4	Very high	40 Å²	40	56.6 Å²	56.6	17%	0.174	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78.5	-11.3	177.9	-58.9	-176.3	169	-156.4	0	112.5	N63 A64 G90 Y93 Q112 T118 D121	N63-K66 WeakPolarHBondContact O-CA 3.44Å; N63-K66 VanDerWaalsContact O-CB 3.31Å; N63-K66 WeakPolarHBondContact O-CB 3.46Å; N63-K66 PolarHBondContact O-N 2.72Å; A64-K66 PolarHBondContact O-N 2.99Å; K66-G90 PolarHBondContact NZ-O 2.91Å; K66-Y93 HydrophobicContact CB-CD1 4.09Å; K66-Y93 HydrophobicContact CB-CE1 4.06Å; K66-Y93 HydrophobicContact CD-CD1 3.91Å; K66-Q112 PolarHBondContact O-NE2 3.43Å; K66-T118 HydrophobicContact CB-CG2 3.96Å; K66-T118 HydrophobicContact CG-CG2 4.19Å; K66-D121 WeakPolarHBondContact CE-OD2 3.46Å; K66-D121 IonicContact NZ-OD2 2.82Å; K66-D121 PolarHBondContact NZ-OD2 3.15Å
67	N	98.4	Very high	97.5	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.08	30%	0.295	C	S	.	.			trans	-88.3	130.1	176.6	-59.3	-43.2	0	0	0	110.5	A58 A64 P65 L73 Y93 N95	A58-N67 PolarHBondContact O-ND2 3.24Å; A58-N67 VanDerWaalsContact O-ND2 3.1Å; A64-N67 PolarHBondContact O-N 2.98Å; A64-N67 VanDerWaalsContact O-N 3.17Å; P65-N67 VanDerWaalsContact C-N 3.27Å; P65-N67 PolarHBondContact O-N 2.89Å; N67-L73 HydrophobicContact CB-CD2 4.19Å; N67-L73 WeakPolarHBondContact ND2-CD2 3.41Å; N67-Y93 WeakPolarHBondContact OD1-CE1 3.44Å; N67-Y93 PolarHBondContact OD1-OH 3.08Å; N67-N95 PolarHBondContact OD1-ND2 2.98Å
68	R	97.9	Very high	97.6	Very high	49 Å²	49	53.8 Å²	53.8	19%	0.185	29%	0.289	C	S	.	.	S	Bend	trans	-69.7	-36.9	172.9	-175.9	175.2	-76.1	-82.8	0	111.8	G113 P114 K115 I146 K147 S240	R68-G113 PolarHBondContact NE-O 3.41Å; R68-G113 PolarHBondContact NH2-O 3.44Å; R68-P114 PolarHBondContact NH2-O 2.9Å; R68-K115 HydrophobicContact CB-CD 4.41Å; R68-K115 HydrophobicContact CB-CG 4.32Å; R68-I146 PolarHBondContact NH1-O 2.95Å; R68-K147 PolarHBondContact NE-O 2.82Å; R68-K147 PolarHBondContact NH1-O 3.29Å; R68-S240 WeakPolarHBondContact CD-OG 3.14Å
69	Y	97.8	Very high	97.6	Very high	85 Å²	85	54.5 Å²	54.5	33%	0.333	29%	0.291	S	S	.	.	S	Bend	trans	-128.4	134.6	178.5	-57.8	-77.8	0	0	0	110	D71 I72 S240 A241	Y69-D71 WeakPolarHBondContact CB-OD1 3.48Å; Y69-D71 PolarHBondContact O-N 3.4Å; Y69-I72 HydrophobicContact CG-CG1 4.4Å; Y69-I72 PolarHBondContact O-N 3.29Å; Y69-S240 WeakPolarHBondContact CE2-OG 3.3Å; Y69-S240 PolarHBondContact OH-OG 2.93Å; Y69-A241 HydrophobicContact CD2-CB 3.66Å; Y69-A241 HydrophobicContact CE2-CB 3.73Å
70	V	96.9	Very high	97.7	Very high	134 Å²	134	47.5 Å²	47.5	81%	0.812	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.4	-174.4	-64.5	0	0	0	0	113.3
71	D	95.4	Very high	97.6	Very high	97 Å²	97	48.8 Å²	48.8	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.3	-177.2	62.4	-30.3	0	0	0	113.4	Y69	Y69-D71 WeakPolarHBondContact CB-OD1 3.48Å; Y69-D71 PolarHBondContact O-N 3.4Å
72	I	98.2	Very high	97.6	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.234	C	C	.	.			trans	-108	88.7	177.7	-47.3	-58.6	0	0	0	109.9	Y69 N95 A241 V243 L280	Y69-I72 HydrophobicContact CG-CG1 4.4Å; Y69-I72 PolarHBondContact O-N 3.29Å; I72-N95 PolarHBondContact O-ND2 3.45Å; I72-A241 HydrophobicContact CG1-CB 4.17Å; I72-A241 HydrophobicContact CG2-CB 4.22Å; I72-V243 HydrophobicContact CD1-CG2 4.4Å; I72-V243 HydrophobicContact CG2-CG1 3.57Å; I72-V243 HydrophobicContact CG2-CG2 4.29Å; I72-L280 HydrophobicContact CD1-CD1 3.39Å
73	L	98.6	Very high	97.2	Very high	14 Å²	14	45 Å²	45	7%	0.073	24%	0.24	C	C	.	.			trans	-119.8	137.8	-173.2	-55.1	-178.3	0	0	0	110.8	V55 A58 K59 N67	V55-L73 HydrophobicContact CB-CB 4.26Å; V55-L73 HydrophobicContact CG1-CB 4.26Å; V55-L73 HydrophobicContact CG2-CD1 4.35Å; A58-L73 HydrophobicContact CB-CB 3.8Å; A58-L73 HydrophobicContact CB-CD1 4.23Å; A58-L73 HydrophobicContact CB-CD2 4.11Å; A58-L73 HydrophobicContact CB-CG 4.26Å; K59-L73 HydrophobicContact CD-CD1 4.42Å; K59-L73 HydrophobicContact CG-CD1 3.68Å; N67-L73 HydrophobicContact CB-CD2 4.19Å; N67-L73 WeakPolarHBondContact ND2-CD2 3.41Å
74	P	98.6	Very high	95.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-69.6	146.3	175.8	32	-36.2	0	0	0	110.5	A58 R79 Y93 S97	A58-P74 HydrophobicContact CB-CG 4.25Å; P74-R79 HydrophobicContact CB-CB 4.06Å; P74-R79 HydrophobicContact CG-CB 4.35Å; P74-Y93 WeakPolarHBondContact CD-OH 3.35Å; P74-Y93 HydrophobicContact CG-CE2 3.96Å; P74-S97 WeakPolarHBondContact CB-OG 3.36Å
75	Y	98.8	Very high	93.8	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	27%	0.269	C	S	.	.			trans	-71.5	143	171.5	-62.8	-49.5	0	0	0	111.5	I49 F50 Y53 A54 V55 Y77 N78 R79 R275 R276 Q277	I49-Y75 HydrophobicContact CG2-CE1 4.24Å; I49-Y75 WeakPolarHBondContact CG2-OH 3.29Å; F50-Y75 PolarHBondContact N-OH 3.4Å; F50-Y75 VanDerWaalsContact N-OH 3.11Å; Y53-Y75 VanDerWaalsContact CB-CD1 3.44Å; Y53-Y75 HydrophobicContact CD2-CD2 4.24Å; Y53-Y75 HydrophobicContact CD2-CE2 4.01Å; Y53-Y75 HydrophobicContact CG-CD2 4.36Å; Y53-Y75 HydrophobicContact CG-CG 4.37Å; A54-Y75 CarbonylContact O-C 3.59Å; A54-Y75 WeakPolarHBondContact O-CA 3.14Å; V55-Y75 HydrophobicContact CG1-CD1 3.6Å; V55-Y75 HydrophobicContact CG1-CE1 4.06Å; Y75-Y77 HydrophobicContact CD2-CE1 4.1Å; Y75-Y77 HydrophobicContact CG-CE1 4.25Å; Y75-Y77 PolarHBondContact O-N 3.18Å; Y75-N78 PolarHBondContact O-OD1 3.12Å; Y75-R79 WeakPolarHBondContact O-CB 3.01Å; Y75-R79 PolarHBondContact O-N 3.1Å; Y75-R275 WeakPolarHBondContact CE2-O 3.47Å; Y75-R276 WeakPolarHBondContact CD2-O 3.46Å; Y75-R276 WeakPolarHBondContact CE2-O 3.26Å; Y75-Q277 WeakPolarHBondContact CD2-O 3.46Å
76	D	98.6	Very high	91.9	Very high	35 Å²	35	50.3 Å²	50.3	19%	0.187	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.4	-173.9	-66.6	-28	0	0	0	112.5	A54 V55 K56 E57	A54-D76 VanDerWaalsContact C-OD2 3.27Å; A54-D76 HydrophobicContact CB-CB 4.49Å; A54-D76 WeakPolarHBondContact CB-OD2 3.48Å; A54-D76 PolarHBondContact O-N 2.87Å; V55-D76 VanDerWaalsContact C-OD1 3.3Å; V55-D76 WeakPolarHBondContact CA-OD1 3.42Å; V55-D76 PolarHBondContact N-OD2 2.99Å; K56-D76 WeakPolarHBondContact CB-OD2 3.26Å; K56-D76 VanDerWaalsContact N-CG 3.3Å; K56-D76 PolarHBondContact N-OD1 3.5Å; K56-D76 PolarHBondContact N-OD2 3.14Å; E57-D76 WeakPolarHBondContact CB-OD1 3.39Å; E57-D76 PolarHBondContact N-OD1 3.33Å
77	Y	98.4	Very high	90.3	Very high	125 Å²	125	51.5 Å²	51.5	49%	0.49	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.3	-170.2	81.1	-91	0	0	0	114.1	Y53 Y75 R276 Q277	Y53-Y77 AromaticContact CD1-CD1 3.78Å; Y53-Y77 HydrophobicContact CD1-CD1 3.78Å; Y53-Y77 AromaticContact CD1-CE1 3.55Å; Y53-Y77 HydrophobicContact CD1-CE1 3.55Å; Y53-Y77 HydrophobicContact CD2-CE1 4.47Å; Y53-Y77 HydrophobicContact CE1-CD1 4.34Å; Y53-Y77 AromaticContact CE1-CE1 3.85Å; Y53-Y77 HydrophobicContact CE1-CE1 3.85Å; Y53-Y77 HydrophobicContact CG-CD1 4.29Å; Y53-Y77 AromaticContact CG-CE1 3.89Å; Y53-Y77 HydrophobicContact CG-CE1 3.89Å; Y75-Y77 HydrophobicContact CD2-CE1 4.1Å; Y75-Y77 HydrophobicContact CG-CE1 4.25Å; Y75-Y77 PolarHBondContact O-N 3.18Å; Y77-R276 WeakPolarHBondContact CE1-O 3.27Å; Y77-R276 VanDerWaalsContact OH-C 3.32Å; Y77-R276 PolarHBondContact OH-O 2.88Å; Y77-Q277 WeakPolarHBondContact OH-CA 3.5Å
78	N	98.6	Very high	89.1	Confident	14 Å²	14	57 Å²	57	8%	0.075	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	13.2	-178.3	72.7	-34.8	0	0	0	113.4	Y75 F98 Q277	Y75-N78 PolarHBondContact O-OD1 3.12Å; N78-F98 PolarHBondContact ND2-O 2.6Å; N78-F98 PolarHBondContact O-N 2.84Å; N78-Q277 WeakPolarHBondContact ND2-CA 3.1Å; N78-Q277 WeakPolarHBondContact ND2-CB 3.1Å; N78-Q277 PolarHBondContact ND2-O 3.02Å; N78-Q277 PolarHBondContact OD1-O 3.44Å
79	R	98.6	Very high	88.4	Confident	15 Å²	15	58.9 Å²	58.9	6%	0.057	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	147.4	169.5	70.4	177.5	-178.3	91.8	-7.3	110.2	E57 P74 Y75 Q81 D92 A96	E57-R79 IonicContact OE2-NH2 2.58Å; P74-R79 HydrophobicContact CB-CB 4.06Å; P74-R79 HydrophobicContact CG-CB 4.35Å; Y75-R79 WeakPolarHBondContact O-CB 3.01Å; Y75-R79 PolarHBondContact O-N 3.1Å; R79-Q81 HydrophobicContact CG-CG 4.18Å; R79-Q81 PolarHBondContact O-N 3.24Å; R79-D92 IonicContact CZ-OD2 2.63Å; R79-D92 PolarHBondContact NH1-O 3.19Å; R79-D92 VanDerWaalsContact NH1-O 3.07Å; R79-D92 IonicContact NH1-OD2 3.86Å; R79-D92 PolarHBondContact NH1-OD2 2.69Å; R79-D92 IonicContact NH2-OD2 2.63Å; R79-D92 PolarHBondContact NH2-OD2 3.43Å; R79-A96 VanDerWaalsContact CA-O 3.3Å; R79-A96 WeakPolarHBondContact CA-O 3.44Å
80	V	98.5	Very high	87.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.6	167.5	-172.5	0	0	0	0	108.1	I94 A96 F98 I109 M125 Q129	V80-I94 HydrophobicContact CB-CG2 4.03Å; V80-I94 HydrophobicContact CG1-CG2 4.36Å; V80-A96 HydrophobicContact CB-CB 4.21Å; V80-A96 HydrophobicContact CG2-CB 3.89Å; V80-A96 PolarHBondContact N-O 3.26Å; V80-F98 HydrophobicContact CB-CE2 4.27Å; V80-F98 HydrophobicContact CB-CZ 4.45Å; V80-F98 HydrophobicContact CG1-CE2 4.34Å; V80-F98 HydrophobicContact CG1-CZ 4.13Å; V80-F98 HydrophobicContact CG2-CD1 4.47Å; V80-F98 HydrophobicContact CG2-CD2 4.08Å; V80-F98 HydrophobicContact CG2-CE1 4.28Å; V80-F98 HydrophobicContact CG2-CE2 3.88Å; V80-F98 HydrophobicContact CG2-CG 4.38Å; V80-F98 HydrophobicContact CG2-CZ 3.99Å; V80-I109 HydrophobicContact CG2-CD1 4.1Å; V80-I109 HydrophobicContact CG2-CG1 4.03Å; V80-I109 HydrophobicContact CG2-CG2 3.86Å; V80-M125 HydrophobicContact CB-SD 4.38Å; V80-M125 HydrophobicContact CG1-CG 3.87Å; V80-M125 HydrophobicContact CG1-SD 4.23Å; V80-M125 HydrophobicContact CG2-SD 4.36Å; V80-Q129 HydrophobicContact CG1-CG 4.1Å
81	Q	96.8	Very high	87.3	Confident	116 Å²	116	49.8 Å²	49.8	54%	0.542	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	179.4	-52.4	-169.9	-51.2	0	0	108.2	R79 D92	R79-Q81 HydrophobicContact CG-CG 4.18Å; R79-Q81 PolarHBondContact O-N 3.24Å; Q81-D92 WeakPolarHBondContact CA-O 3.12Å
82	L	95.1	Very high	87.2	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	29%	0.286	C	S	.	.			trans	-85.1	147.5	178	-58.7	-178.4	0	0	0	111	T84 D92 I94 D121 M125 E128	L82-T84 PolarHBondContact O-N 3.05Å; L82-D92 PolarHBondContact N-O 3Å; L82-D92 WeakPolarHBondContact O-CA 3.43Å; L82-I94 HydrophobicContact CD1-CB 4.09Å; L82-I94 HydrophobicContact CD1-CG2 4.36Å; L82-I94 HydrophobicContact CD2-CG2 4.09Å; L82-I94 HydrophobicContact CG-CB 4.29Å; L82-I94 HydrophobicContact CG-CG2 4.02Å; L82-D121 HydrophobicContact CD1-CB 3.9Å; L82-M125 HydrophobicContact CD2-CB 3.82Å; L82-M125 HydrophobicContact CD2-CG 4.47Å; L82-E128 VanDerWaalsContact CA-OE2 3.28Å; L82-E128 WeakPolarHBondContact CA-OE2 3.45Å
83	A	86.5	Confident	87.2	Confident	59 Å²	59	46.9 Å²	46.9	49%	0.488	29%	0.285	S	S	.	.			trans	-70.6	126.3	172.2	0	0	0	0	0	110	G85 E128	A83-G85 PolarHBondContact O-N 2.8Å; A83-E128 VanDerWaalsContact CB-OE1 3.28Å; A83-E128 WeakPolarHBondContact CB-OE1 3.44Å; A83-E128 VanDerWaalsContact N-CD 3.32Å; A83-E128 PolarHBondContact N-OE1 3.18Å; A83-E128 VanDerWaalsContact N-OE1 3.1Å; A83-E128 PolarHBondContact N-OE2 3.44Å
84	T	68.9	Low	87.2	Confident	94 Å²	94	46.8 Å²	46.8	58%	0.577	28%	0.284	S	S	*	.			trans	-58	113.8	178.6	5.7	0	0	0	0	110.8	L82 C91	L82-T84 PolarHBondContact O-N 3.05Å; T84-C91 WeakPolarHBondContact CG2-SG 3.23Å
85	G	55.2	Low	87.2	Confident	42 Å²	42	46.9 Å²	46.9	43%	0.433	29%	0.285	S	S	.	.	S	Bend	trans	-72.2	-38	170.6	0	0	0	0	0	113	A83	A83-G85 PolarHBondContact O-N 2.8Å
86	N	57.3	Low	87.2	Confident	110 Å²	110	46.8 Å²	46.8	59%	0.588	29%	0.285	S	S	*	.	S	Bend	trans	-142.6	-5.8	-161.9	-51.1	7.1	0	0	0	115.3	E88	N86-E88 HydrophobicContact CB-CG 4.38Å
87	G	63.1	Low	87.2	Confident	64 Å²	64	45.1 Å²	45.1	66%	0.66	28%	0.276	S	S	*	.			trans	81	11	-177.1	0	0	0	0	0	115.7
88	E	73.5	Confident	87.2	Confident	132 Å²	132	40.4 Å²	40.4	62%	0.617	26%	0.258	S	S	*	.			trans	-70.8	146.2	175.8	-68.6	175.5	-164.1	0	0	111.9	N86 G90 C91	N86-E88 HydrophobicContact CB-CG 4.38Å; E88-G90 PolarHBondContact O-N 2.79Å; E88-C91 PolarHBondContact O-N 3.5Å; E88-C91 PolarHBondContact O-SG 2.92Å
89	A	82.5	Confident	87.3	Confident	87 Å²	87	39.7 Å²	39.7	72%	0.719	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	122.9	-179.3	0	0	0	0	0	111.1	C62	C62-A89 HydrophobicContact CB-CB 4.37Å
90	G	83.8	Confident	87.3	Confident	8 Å²	8	41 Å²	41	8%	0.082	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	6.7	176.7	0	0	0	0	0	116	N63 K66 E88 D92 Y93	N63-G90 WeakPolarHBondContact OD1-CA 3.49Å; N63-G90 PolarHBondContact OD1-O 3.24Å; K66-G90 PolarHBondContact NZ-O 2.91Å; E88-G90 PolarHBondContact O-N 2.79Å; G90-D92 VanDerWaalsContact C-N 3.25Å; G90-D92 PolarHBondContact O-N 3.37Å; G90-Y93 PolarHBondContact O-N 3.22Å
91	C	88.6	Confident	87.2	Confident	20 Å²	20	41 Å²	41	14%	0.135	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.7	176.7	66	0	0	0	0	114.1	T84 E88 Y93	T84-C91 WeakPolarHBondContact CG2-SG 3.23Å; E88-C91 PolarHBondContact O-N 3.5Å; E88-C91 PolarHBondContact O-SG 2.92Å; C91-Y93 VanDerWaalsContact C-N 3.29Å
92	D	93.8	Very high	87.1	Confident	41 Å²	41	38.1 Å²	38.1	22%	0.219	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.4	173.7	74.5	-51	0	0	0	113.1	R79 Q81 L82 G90	R79-D92 IonicContact CZ-OD2 2.63Å; R79-D92 PolarHBondContact NH1-O 3.19Å; R79-D92 VanDerWaalsContact NH1-O 3.07Å; R79-D92 IonicContact NH1-OD2 3.86Å; R79-D92 PolarHBondContact NH1-OD2 2.69Å; R79-D92 IonicContact NH2-OD2 2.63Å; R79-D92 PolarHBondContact NH2-OD2 3.43Å; Q81-D92 WeakPolarHBondContact CA-O 3.12Å; L82-D92 PolarHBondContact N-O 3Å; L82-D92 WeakPolarHBondContact O-CA 3.43Å; G90-D92 VanDerWaalsContact C-N 3.25Å; G90-D92 PolarHBondContact O-N 3.37Å
93	Y	97.3	Very high	87.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.4	-172.4	-179.4	-97.2	0	0	0	112.5	A58 N63 K66 N67 P74 G90 C91 N95	A58-Y93 HydrophobicContact CB-CE2 3.77Å; A58-Y93 VanDerWaalsContact CB-OH 3.27Å; A58-Y93 WeakPolarHBondContact CB-OH 3.13Å; N63-Y93 HydrophobicContact CB-CD1 3.6Å; N63-Y93 HydrophobicContact CB-CD2 4.34Å; N63-Y93 HydrophobicContact CB-CE1 3.89Å; N63-Y93 HydrophobicContact CB-CG 3.83Å; N63-Y93 VanDerWaalsContact CG-CB 3.45Å; N63-Y93 VanDerWaalsContact CG-CG 3.4Å; N63-Y93 WeakPolarHBondContact ND2-CB 3.14Å; N63-Y93 WeakPolarHBondContact OD1-CB 3.36Å; K66-Y93 HydrophobicContact CB-CD1 4.09Å; K66-Y93 HydrophobicContact CB-CE1 4.06Å; K66-Y93 HydrophobicContact CD-CD1 3.91Å; N67-Y93 WeakPolarHBondContact OD1-CE1 3.44Å; N67-Y93 PolarHBondContact OD1-OH 3.08Å; P74-Y93 WeakPolarHBondContact CD-OH 3.35Å; P74-Y93 HydrophobicContact CG-CE2 3.96Å; G90-Y93 PolarHBondContact O-N 3.22Å; C91-Y93 VanDerWaalsContact C-N 3.29Å; Y93-N95 HydrophobicContact CE1-CB 4.47Å
94	I	98.5	Very high	87.5	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.3	161.8	-173.4	165.5	0	0	0	108.9	V80 L82 A96 D121 F122 M125	V80-I94 HydrophobicContact CB-CG2 4.03Å; V80-I94 HydrophobicContact CG1-CG2 4.36Å; L82-I94 HydrophobicContact CD1-CB 4.09Å; L82-I94 HydrophobicContact CD1-CG2 4.36Å; L82-I94 HydrophobicContact CD2-CG2 4.09Å; L82-I94 HydrophobicContact CG-CB 4.29Å; L82-I94 HydrophobicContact CG-CG2 4.02Å; I94-A96 VanDerWaalsContact C-N 3.28Å; I94-A96 HydrophobicContact CG2-CB 4.25Å; I94-A96 PolarHBondContact O-N 2.78Å; I94-D121 HydrophobicContact CD1-CB 4.36Å; I94-D121 WeakPolarHBondContact CD1-O 3.34Å; I94-F122 HydrophobicContact CD1-CB 4.43Å; I94-M125 HydrophobicContact CD1-CB 3.9Å; I94-M125 HydrophobicContact CD1-CE 4.36Å; I94-M125 HydrophobicContact CD1-CG 4.45Å; I94-M125 HydrophobicContact CD1-SD 3.86Å; I94-M125 HydrophobicContact CG2-SD 4.27Å
95	N	98.8	Very high	88.9	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.011	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	79.1	175.8	-169.4	-35	0	0	0	110.5	N67 I72 Y93 Q112 R278	N67-N95 PolarHBondContact OD1-ND2 2.98Å; I72-N95 PolarHBondContact O-ND2 3.45Å; Y93-N95 HydrophobicContact CE1-CB 4.47Å; N95-Q112 HydrophobicContact CB-CB 4.45Å; N95-Q112 HydrophobicContact CB-CG 3.97Å; N95-Q112 PolarHBondContact ND2-OE1 2.86Å; N95-Q112 PolarHBondContact O-N 3.16Å; N95-Q112 VanDerWaalsContact O-N 3.09Å; N95-R278 PolarHBondContact OD1-NH1 3.42Å; N95-R278 PolarHBondContact OD1-NH2 3.44Å
96	A	98.9	Very high	90.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.2	177.7	0	0	0	0	0	111.2	R79 V80 I94 I109 A110 A111 M125	R79-A96 VanDerWaalsContact CA-O 3.3Å; R79-A96 WeakPolarHBondContact CA-O 3.44Å; V80-A96 HydrophobicContact CB-CB 4.21Å; V80-A96 HydrophobicContact CG2-CB 3.89Å; V80-A96 PolarHBondContact N-O 3.26Å; I94-A96 VanDerWaalsContact C-N 3.28Å; I94-A96 HydrophobicContact CG2-CB 4.25Å; I94-A96 PolarHBondContact O-N 2.78Å; A96-I109 HydrophobicContact CB-CG2 3.76Å; A96-A110 CarbonylContact C-O 3.55Å; A96-A110 VanDerWaalsContact CA-O 3.31Å; A96-A110 WeakPolarHBondContact CA-O 3.13Å; A96-A111 HydrophobicContact CB-CB 3.82Å; A96-M125 HydrophobicContact CB-SD 3.68Å
97	S	98.9	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.3	-179	-57.9	0	0	0	0	110.5	P74 I109 A110 R278	P74-S97 WeakPolarHBondContact CB-OG 3.36Å; S97-I109 WeakPolarHBondContact O-CA 3.26Å; S97-A110 PolarHBondContact N-O 3.16Å; S97-A110 PolarHBondContact O-N 2.73Å; S97-R278 PolarHBondContact OG-NH1 2.91Å
98	F	98.9	Very high	94.5	Very high	25 Å²	25	42.5 Å²	42.5	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.5	166.1	-66.4	-76	0	0	0	110.1	N78 V80 K106 Y108 I109 Q129 P234	N78-F98 PolarHBondContact ND2-O 2.6Å; N78-F98 PolarHBondContact O-N 2.84Å; V80-F98 HydrophobicContact CB-CE2 4.27Å; V80-F98 HydrophobicContact CB-CZ 4.45Å; V80-F98 HydrophobicContact CG1-CE2 4.34Å; V80-F98 HydrophobicContact CG1-CZ 4.13Å; V80-F98 HydrophobicContact CG2-CD1 4.47Å; V80-F98 HydrophobicContact CG2-CD2 4.08Å; V80-F98 HydrophobicContact CG2-CE1 4.28Å; V80-F98 HydrophobicContact CG2-CE2 3.88Å; V80-F98 HydrophobicContact CG2-CG 4.38Å; V80-F98 HydrophobicContact CG2-CZ 3.99Å; F98-K106 HydrophobicContact CB-CB 4.2Å; F98-K106 HydrophobicContact CB-CD 4.29Å; F98-K106 HydrophobicContact CB-CG 3.95Å; F98-K106 HydrophobicContact CD1-CB 4Å; F98-K106 HydrophobicContact CD1-CD 4.1Å; F98-K106 HydrophobicContact CD1-CG 4.3Å; F98-K106 HydrophobicContact CG-CB 4.37Å; F98-K106 HydrophobicContact CG-CD 4.06Å; F98-K106 HydrophobicContact CG-CG 4.22Å; F98-Y108 WeakPolarHBondContact CA-O 3.42Å; F98-I109 HydrophobicContact CD1-CD1 4.41Å; F98-I109 HydrophobicContact CD1-CG1 3.82Å; F98-I109 HydrophobicContact CE1-CD1 3.99Å; F98-I109 HydrophobicContact CE1-CG1 3.91Å; F98-Q129 VanDerWaalsContact CZ-OE1 3.3Å; F98-P234 HydrophobicContact CE1-CG 4.37Å
99	I	98.9	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.7	-179.4	-55.2	-61	0	0	0	109	K106 K107 Y108 A110 I250 L274 Q277 R278 M281	I99-K106 CarbonylContact O-C 3.56Å; I99-K106 WeakPolarHBondContact O-CA 3.26Å; I99-K107 PolarHBondContact O-N 2.91Å; I99-K107 VanDerWaalsContact O-N 3.15Å; I99-Y108 HydrophobicContact CB-CD2 4.29Å; I99-Y108 HydrophobicContact CG2-CD2 4.16Å; I99-Y108 PolarHBondContact N-O 3.36Å; I99-Y108 PolarHBondContact O-N 2.78Å; I99-Y108 VanDerWaalsContact O-N 3.08Å; I99-A110 HydrophobicContact CD1-CB 4.19Å; I99-A110 HydrophobicContact CG1-CB 3.6Å; I99-I250 HydrophobicContact CG1-CD1 4.46Å; I99-I250 HydrophobicContact CG2-CD1 4.42Å; I99-I250 HydrophobicContact CG2-CG2 4Å; I99-L274 HydrophobicContact CG2-CD2 3.36Å; I99-Q277 HydrophobicContact CD1-CB 3.65Å; I99-R278 HydrophobicContact CD1-CB 3.97Å; I99-M281 HydrophobicContact CD1-CE 4.41Å; I99-M281 HydrophobicContact CG1-CE 4.48Å
100	D	98.8	Very high	96.5	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.219	16%	0.161	C	C	.	.			trans	-82.1	143.2	177.7	-59.2	-25.3	0	0	0	110.5	P105 K106 Y270 Q277	D100-P105 WeakPolarHBondContact OD1-CA 3.34Å; D100-K106 PolarHBondContact OD1-N 3.47Å; D100-Y270 PolarHBondContact O-OH 3.36Å; D100-Q277 VanDerWaalsContact N-OE1 3.08Å; D100-Q277 PolarHBondContact OD1-NE2 3.07Å; D100-Q277 PolarHBondContact OD2-NE2 2.8Å
101	G	97.7	Very high	97.2	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	16%	0.157	C	C	.	.			trans	-77.4	-165	163.9	0	0	0	0	0	112.1	E104	G101-E104 PolarHBondContact N-O 3.47Å
102	F	95.1	Very high	97.7	Very high	55 Å²	55	31.3 Å²	31.3	24%	0.241	15%	0.153	C	C	.	.	S	Bend	trans	-63.6	-45.4	180	-179.4	-118.6	0	0	0	112.6	A254 M255 E257 G258 A261 E262	F102-A254 HydrophobicContact CB-CB 4.38Å; F102-A254 WeakPolarHBondContact CB-O 3.44Å; F102-M255 HydrophobicContact CD2-CE 4.02Å; F102-E257 HydrophobicContact CB-CB 4.07Å; F102-E257 HydrophobicContact CD1-CB 4.47Å; F102-G258 VanDerWaalsContact CE1-CA 3.48Å; F102-G258 VanDerWaalsContact CZ-CA 3.48Å; F102-A261 HydrophobicContact CE1-CB 4.18Å; F102-E262 HydrophobicContact CE1-CG 4.15Å; F102-E262 VanDerWaalsContact CZ-CD 3.49Å; F102-E262 HydrophobicContact CZ-CG 3.96Å; F102-E262 WeakPolarHBondContact CZ-OE1 3.42Å
103	K	93.6	Very high	97.9	Very high	143 Å²	143	29.3 Å²	29.3	62%	0.622	14%	0.142	S	C	*	.	S	Bend	trans	-133.8	9.5	178.8	-74.1	175.8	177.7	166.4	0	113.4	E262	K103-E262 WeakPolarHBondContact CE-OE1 3.32Å; K103-E262 IonicContact NZ-OE1 2.96Å; K103-E262 PolarHBondContact NZ-OE1 2.87Å
104	E	95.4	Very high	98	Very high	94 Å²	94	29.4 Å²	29.4	44%	0.439	14%	0.143	S	C	.	.			trans	-119.8	108.2	-175.5	-174.6	179.2	170.4	0	0	109.9	G101 K107	G101-E104 PolarHBondContact N-O 3.47Å; E104-K107 HydrophobicContact CB-CB 4.04Å; E104-K107 HydrophobicContact CB-CD 4.23Å; E104-K107 HydrophobicContact CB-CG 4.43Å; E104-K107 HydrophobicContact CG-CB 3.91Å; E104-K107 HydrophobicContact CG-CG 4.3Å; E104-K107 WeakPolarHBondContact OE2-CD 3.3Å
105	P	97.4	Very high	98	Very high	97 Å²	97	31.2 Å²	31.2	63%	0.63	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	140.3	178.6	28.4	-33.8	0	0	0	110.3	D100 K107	D100-P105 WeakPolarHBondContact OD1-CA 3.34Å; P105-K107 PolarHBondContact O-N 3.43Å
106	K	97.4	Very high	97.9	Very high	121 Å²	121	36.7 Å²	36.7	53%	0.526	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.6	-179.6	-49.2	-175.4	179.6	-178.2	0	114.5	F98 I99 D100 Y108 P234	F98-K106 HydrophobicContact CB-CB 4.2Å; F98-K106 HydrophobicContact CB-CD 4.29Å; F98-K106 HydrophobicContact CB-CG 3.95Å; F98-K106 HydrophobicContact CD1-CB 4Å; F98-K106 HydrophobicContact CD1-CD 4.1Å; F98-K106 HydrophobicContact CD1-CG 4.3Å; F98-K106 HydrophobicContact CG-CB 4.37Å; F98-K106 HydrophobicContact CG-CD 4.06Å; F98-K106 HydrophobicContact CG-CG 4.22Å; I99-K106 CarbonylContact O-C 3.56Å; I99-K106 WeakPolarHBondContact O-CA 3.26Å; D100-K106 PolarHBondContact OD1-N 3.47Å; K106-Y108 PolarHBondContact O-N 3.09Å; K106-P234 WeakPolarHBondContact O-CB 3.42Å
107	K	98.3	Very high	97.7	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.057	21%	0.21	C	C	.	.			trans	-55.7	-33.7	175.4	-175.3	175.6	176.8	-156.9	0	112.5	I99 E104 P105 P234 I235 D253 E257	I99-K107 PolarHBondContact O-N 2.91Å; I99-K107 VanDerWaalsContact O-N 3.15Å; E104-K107 HydrophobicContact CB-CB 4.04Å; E104-K107 HydrophobicContact CB-CD 4.23Å; E104-K107 HydrophobicContact CB-CG 4.43Å; E104-K107 HydrophobicContact CG-CB 3.91Å; E104-K107 HydrophobicContact CG-CG 4.3Å; E104-K107 WeakPolarHBondContact OE2-CD 3.3Å; P105-K107 PolarHBondContact O-N 3.43Å; K107-P234 VanDerWaalsContact O-CA 3.28Å; K107-P234 WeakPolarHBondContact O-CA 3.35Å; K107-I235 PolarHBondContact O-N 3.11Å; K107-D253 IonicContact NZ-OD2 3.3Å; K107-D253 PolarHBondContact NZ-OD2 3.2Å; K107-E257 IonicContact NZ-OE1 3.61Å; K107-E257 PolarHBondContact NZ-OE1 2.85Å; K107-E257 IonicContact NZ-OE2 3.17Å; K107-E257 PolarHBondContact NZ-OE2 3.13Å
108	Y	98.9	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	160	-178.2	-35.1	-85.9	0	0	0	112.9	F98 I99 K106 I235 V237 I250 D253	F98-Y108 WeakPolarHBondContact CA-O 3.42Å; I99-Y108 HydrophobicContact CB-CD2 4.29Å; I99-Y108 HydrophobicContact CG2-CD2 4.16Å; I99-Y108 PolarHBondContact N-O 3.36Å; I99-Y108 PolarHBondContact O-N 2.78Å; I99-Y108 VanDerWaalsContact O-N 3.08Å; K106-Y108 PolarHBondContact O-N 3.09Å; Y108-I235 CarbonylContact C-O 3.59Å; Y108-I235 VanDerWaalsContact CA-O 3.27Å; Y108-I235 WeakPolarHBondContact CA-O 3.31Å; Y108-I235 HydrophobicContact CD1-CB 4.15Å; Y108-V237 HydrophobicContact CD1-CG2 4.28Å; Y108-I250 HydrophobicContact CD1-CG1 4.35Å; Y108-I250 HydrophobicContact CD2-CD1 4.33Å; Y108-I250 HydrophobicContact CD2-CG1 4.2Å; Y108-I250 HydrophobicContact CD2-CG2 3.72Å; Y108-I250 HydrophobicContact CE2-CG2 3.57Å; Y108-I250 HydrophobicContact CG-CD1 4.18Å; Y108-I250 HydrophobicContact CG-CG1 4.1Å; Y108-I250 HydrophobicContact CG-CG2 4.46Å; Y108-D253 PolarHBondContact OH-OD2 2.64Å
109	I	98.9	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.8	158.4	-69.4	169	0	0	0	107.8	V80 A96 S97 F98 A111 M125 Q129 P234 I235 V236 V237	V80-I109 HydrophobicContact CG2-CD1 4.1Å; V80-I109 HydrophobicContact CG2-CG1 4.03Å; V80-I109 HydrophobicContact CG2-CG2 3.86Å; A96-I109 HydrophobicContact CB-CG2 3.76Å; S97-I109 WeakPolarHBondContact O-CA 3.26Å; F98-I109 HydrophobicContact CD1-CD1 4.41Å; F98-I109 HydrophobicContact CD1-CG1 3.82Å; F98-I109 HydrophobicContact CE1-CD1 3.99Å; F98-I109 HydrophobicContact CE1-CG1 3.91Å; I109-A111 HydrophobicContact CG2-CB 4.31Å; I109-M125 HydrophobicContact CD1-CG 4.39Å; I109-M125 HydrophobicContact CD1-SD 4.39Å; I109-M125 HydrophobicContact CG2-CE 4.12Å; I109-M125 HydrophobicContact CG2-SD 3.77Å; I109-Q129 HydrophobicContact CD1-CB 3.95Å; I109-Q129 HydrophobicContact CD1-CG 3.74Å; I109-P234 HydrophobicContact CD1-CB 4.12Å; I109-P234 HydrophobicContact CD1-CG 3.46Å; I109-P234 VanDerWaalsContact CD1-CG 3.46Å; I109-P234 HydrophobicContact CG1-CB 3.9Å; I109-P234 HydrophobicContact CG1-CG 3.79Å; I109-I235 PolarHBondContact N-O 2.81Å; I109-V236 HydrophobicContact CB-CG2 4.35Å; I109-V236 HydrophobicContact CD1-CG2 4.4Å; I109-V237 PolarHBondContact O-N 2.79Å
110	A	98.9	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.3	167.9	0	0	0	0	0	109.3	A96 S97 I99 V237 T246 I250 M281	A96-A110 CarbonylContact C-O 3.55Å; A96-A110 VanDerWaalsContact CA-O 3.31Å; A96-A110 WeakPolarHBondContact CA-O 3.13Å; S97-A110 PolarHBondContact N-O 3.16Å; S97-A110 PolarHBondContact O-N 2.73Å; I99-A110 HydrophobicContact CD1-CB 4.19Å; I99-A110 HydrophobicContact CG1-CB 3.6Å; A110-V237 WeakPolarHBondContact CA-O 3.47Å; A110-T246 HydrophobicContact CB-CG2 3.81Å; A110-I250 HydrophobicContact CB-CD1 4.28Å; A110-M281 HydrophobicContact CB-CE 4.14Å; A110-M281 HydrophobicContact CB-SD 4.42Å
111	A	98.9	Very high	97.4	Very high	1 Å²	1	42 Å²	42	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.6	-175.8	0	0	0	0	0	112	A96 I109 F122 M125 V236 V237 H238 G242	A96-A111 HydrophobicContact CB-CB 3.82Å; I109-A111 HydrophobicContact CG2-CB 4.31Å; A111-F122 HydrophobicContact CB-CE2 4.31Å; A111-M125 HydrophobicContact CB-CE 4.16Å; A111-V236 HydrophobicContact CB-CG1 4.44Å; A111-V237 PolarHBondContact N-O 3.35Å; A111-H238 HydrophobicContact CB-CB 4.21Å; A111-H238 WeakPolarHBondContact O-CA 3.36Å; A111-H238 WeakPolarHBondContact O-CB 3.32Å; A111-G242 WeakPolarHBondContact O-CA 3.31Å
112	Q	98.7	Very high	97.4	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.047	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-67	154	164	80	175	26.7	0	0	110.1	K66 N95	K66-Q112 PolarHBondContact O-NE2 3.43Å; N95-Q112 HydrophobicContact CB-CB 4.45Å; N95-Q112 HydrophobicContact CB-CG 3.97Å; N95-Q112 PolarHBondContact ND2-OE1 2.86Å; N95-Q112 PolarHBondContact O-N 3.16Å; N95-Q112 VanDerWaalsContact O-N 3.09Å
113	G	98.7	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-62.5	122.3	166.2	0	0	0	0	0	109.5	R68 K115 C239 S240	R68-G113 PolarHBondContact NE-O 3.41Å; R68-G113 PolarHBondContact NH2-O 3.44Å; G113-K115 PolarHBondContact O-N 3.31Å; G113-C239 WeakPolarHBondContact CA-O 3.17Å; G113-C239 PolarHBondContact N-O 3.21Å; G113-C239 VanDerWaalsContact N-O 3.08Å; G113-S240 PolarHBondContact N-O 3.36Å
114	P	98.4	Very high	97.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-55.4	141.6	-175.3	21.5	-33.7	0	0	0	110.7	R68 V119 F122 C148 A149 Y151	R68-P114 PolarHBondContact NH2-O 2.9Å; P114-V119 HydrophobicContact CB-CG2 4.29Å; P114-F122 HydrophobicContact CB-CB 4.11Å; P114-F122 HydrophobicContact CB-CD2 4.43Å; P114-F122 HydrophobicContact CB-CG 4.31Å; P114-F122 HydrophobicContact CG-CB 4.49Å; P114-F122 HydrophobicContact CG-CD2 4.26Å; P114-F122 HydrophobicContact CG-CG 4.19Å; P114-C148 VanDerWaalsContact CD-SG 3.57Å; P114-A149 VanDerWaalsContact O-CB 3.29Å; P114-A149 WeakPolarHBondContact O-CB 3.49Å; P114-A149 PolarHBondContact O-N 3.4Å; P114-Y151 HydrophobicContact CG-CD1 3.4Å; P114-Y151 HydrophobicContact CG-CE1 4.03Å; P114-Y151 HydrophobicContact CG-CG 3.85Å
115	K	98.1	Very high	97.8	Very high	49 Å²	49	29.2 Å²	29.2	21%	0.213	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-84.8	162.6	162	-56.6	174.2	57.9	-176.8	0	109.2	P65 R68 G113 E117 T118 V119	P65-K115 PolarHBondContact O-NZ 3.45Å; R68-K115 HydrophobicContact CB-CD 4.41Å; R68-K115 HydrophobicContact CB-CG 4.32Å; G113-K115 PolarHBondContact O-N 3.31Å; K115-E117 WeakPolarHBondContact CB-OE2 3.35Å; K115-E117 VanDerWaalsContact CE-OE2 3.29Å; K115-E117 WeakPolarHBondContact CE-OE2 3.35Å; K115-E117 IonicContact NZ-OE2 3.77Å; K115-E117 PolarHBondContact O-N 3.13Å; K115-T118 WeakPolarHBondContact CA-OG1 3.24Å; K115-T118 PolarHBondContact N-OG1 3.31Å; K115-T118 CarbonylContact O-C 3.53Å; K115-T118 WeakPolarHBondContact O-CA 3.43Å; K115-T118 PolarHBondContact O-N 3.21Å; K115-T118 PolarHBondContact O-OG1 2.82Å; K115-V119 WeakPolarHBondContact O-CG2 3.4Å; K115-V119 PolarHBondContact O-N 3.16Å; K115-V119 VanDerWaalsContact O-N 3.14Å
116	D	97	Very high	97.9	Very high	117 Å²	117	24.7 Å²	24.7	63%	0.626	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	-51.3	-43.3	177.7	-60.5	-53.2	0	0	0	112	T118 A149	D116-T118 PolarHBondContact O-N 3.47Å; D116-A149 WeakPolarHBondContact OD1-CB 3.44Å
117	E	95.7	Very high	97.8	Very high	138 Å²	138	19.3 Å²	19.3	65%	0.645	10%	0.095	S	C	*	.	G	3₁₀ helix	trans	-76.2	-5	-179.1	-46.8	84	177.8	0	0	114	K115	K115-E117 WeakPolarHBondContact CB-OE2 3.35Å; K115-E117 VanDerWaalsContact CE-OE2 3.29Å; K115-E117 WeakPolarHBondContact CE-OE2 3.35Å; K115-E117 IonicContact NZ-OE2 3.77Å; K115-E117 PolarHBondContact O-N 3.13Å
118	T	97.4	Very high	97.7	Very high	8 Å²	8	21.5 Å²	21.5	5%	0.049	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-120.8	4.1	-176.7	61.1	0	0	0	0	113.3	K66 K115 D116 S120 D121 F122	K66-T118 HydrophobicContact CB-CG2 3.96Å; K66-T118 HydrophobicContact CG-CG2 4.19Å; K115-T118 WeakPolarHBondContact CA-OG1 3.24Å; K115-T118 PolarHBondContact N-OG1 3.31Å; K115-T118 CarbonylContact O-C 3.53Å; K115-T118 WeakPolarHBondContact O-CA 3.43Å; K115-T118 PolarHBondContact O-N 3.21Å; K115-T118 PolarHBondContact O-OG1 2.82Å; D116-T118 PolarHBondContact O-N 3.47Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.37Å; T118-D121 PolarHBondContact O-N 2.89Å; T118-F122 PolarHBondContact O-N 3.41Å
119	V	98.1	Very high	97.6	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-41.7	178.3	173	0	0	0	0	111.3	P114 K115 F122 W123 A149 Y162	P114-V119 HydrophobicContact CB-CG2 4.29Å; K115-V119 WeakPolarHBondContact O-CG2 3.4Å; K115-V119 PolarHBondContact O-N 3.16Å; K115-V119 VanDerWaalsContact O-N 3.14Å; V119-F122 WeakPolarHBondContact O-CB 3.26Å; V119-F122 PolarHBondContact O-N 2.91Å; V119-W123 PolarHBondContact O-N 3.18Å; V119-A149 HydrophobicContact CG2-CB 4.22Å; V119-Y162 HydrophobicContact CB-CD1 4.3Å; V119-Y162 HydrophobicContact CG1-CD1 3.35Å; V119-Y162 HydrophobicContact CG1-CD2 4.18Å; V119-Y162 HydrophobicContact CG1-CE1 3.58Å; V119-Y162 HydrophobicContact CG1-CE2 4.36Å; V119-Y162 HydrophobicContact CG1-CG 3.68Å
120	S	95.9	Very high	97.5	Very high	11 Å²	11	28 Å²	28	8%	0.077	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-45.7	176	-177.1	0	0	0	0	112	T118 F122 W123 R124 E163	T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.37Å; S120-F122 PolarHBondContact O-N 3.15Å; S120-W123 PolarHBondContact O-N 3.22Å; S120-R124 WeakPolarHBondContact O-CB 3.26Å; S120-R124 PolarHBondContact O-N 2.79Å; S120-R124 PolarHBondContact OG-NH2 2.85Å; S120-E163 VanDerWaalsContact CB-CD 3.5Å; S120-E163 VanDerWaalsContact CB-OE2 3.25Å; S120-E163 WeakPolarHBondContact CB-OE2 2.83Å; S120-E163 PolarHBondContact OG-OE2 2.82Å
121	D	96.8	Very high	97.4	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-38	175.8	-74	-13.9	0	0	0	111.4	K66 L82 I94 T118 R124 M125	K66-D121 WeakPolarHBondContact CE-OD2 3.46Å; K66-D121 IonicContact NZ-OD2 2.82Å; K66-D121 PolarHBondContact NZ-OD2 3.15Å; L82-D121 HydrophobicContact CD1-CB 3.9Å; I94-D121 HydrophobicContact CD1-CB 4.36Å; I94-D121 WeakPolarHBondContact CD1-O 3.34Å; T118-D121 PolarHBondContact O-N 2.89Å; D121-R124 WeakPolarHBondContact O-CB 3.37Å; D121-R124 PolarHBondContact O-N 3.2Å; D121-R124 IonicContact OD1-CZ 3.98Å; D121-R124 IonicContact OD1-NH1 3.06Å; D121-R124 PolarHBondContact OD1-NH1 2.9Å; D121-R124 IonicContact OD1-NH2 3.22Å; D121-M125 PolarHBondContact O-N 3.36Å
122	F	98.6	Very high	97.4	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-47	176.3	-175.6	-90.5	0	0	0	112.3	I94 A111 P114 T118 V119 S120 R124 M125 V126 I134 Y151 V236	I94-F122 HydrophobicContact CD1-CB 4.43Å; A111-F122 HydrophobicContact CB-CE2 4.31Å; P114-F122 HydrophobicContact CB-CB 4.11Å; P114-F122 HydrophobicContact CB-CD2 4.43Å; P114-F122 HydrophobicContact CB-CG 4.31Å; P114-F122 HydrophobicContact CG-CB 4.49Å; P114-F122 HydrophobicContact CG-CD2 4.26Å; P114-F122 HydrophobicContact CG-CG 4.19Å; T118-F122 PolarHBondContact O-N 3.41Å; V119-F122 WeakPolarHBondContact O-CB 3.26Å; V119-F122 PolarHBondContact O-N 2.91Å; S120-F122 PolarHBondContact O-N 3.15Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 3.17Å; F122-M125 HydrophobicContact CD2-CE 3.89Å; F122-M125 HydrophobicContact CE2-CE 3.85Å; F122-M125 VanDerWaalsContact O-CB 3.31Å; F122-M125 WeakPolarHBondContact O-CB 3.14Å; F122-M125 PolarHBondContact O-N 2.94Å; F122-V126 HydrophobicContact CD1-CG2 4.23Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CZ-CG2 4.45Å; F122-V126 WeakPolarHBondContact O-CG2 3.29Å; F122-V126 PolarHBondContact O-N 2.92Å; F122-I134 HydrophobicContact CE1-CD1 4.15Å; F122-I134 HydrophobicContact CZ-CG2 4.3Å; F122-Y151 HydrophobicContact CD1-CD2 4.03Å; F122-Y151 HydrophobicContact CD1-CE2 4.22Å; F122-Y151 HydrophobicContact CD1-CG 4.48Å; F122-Y151 AromaticContact CE1-CD2 3.79Å; F122-Y151 HydrophobicContact CE1-CD2 3.79Å; F122-Y151 AromaticContact CE1-CE2 3.5Å; F122-Y151 HydrophobicContact CE1-CE2 3.5Å; F122-Y151 HydrophobicContact CE1-CG 4.46Å; F122-Y151 AromaticContact CE1-CZ 3.93Å; F122-Y151 HydrophobicContact CZ-CE2 4.18Å; F122-V236 HydrophobicContact CE2-CG1 3.97Å; F122-V236 HydrophobicContact CZ-CG1 3.85Å
123	W	97.9	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-32.8	175.4	-76.5	117.1	0	0	0	112.9	V119 S120 V126 W127 I134 Y151 Y162 F165 V167 L183 L185	V119-W123 PolarHBondContact O-N 3.18Å; S120-W123 PolarHBondContact O-N 3.22Å; W123-V126 HydrophobicContact CE3-CB 4.09Å; W123-V126 HydrophobicContact CE3-CG1 4.15Å; W123-V126 HydrophobicContact CE3-CG2 4.28Å; W123-V126 HydrophobicContact CZ3-CB 4.46Å; W123-V126 HydrophobicContact CZ3-CG1 4.1Å; W123-V126 HydrophobicContact CZ3-CG2 4.49Å; W123-V126 PolarHBondContact O-N 2.8Å; W123-W127 WeakPolarHBondContact O-CB 3.37Å; W123-W127 PolarHBondContact O-N 3.28Å; W123-I134 HydrophobicContact CH2-CD1 3.99Å; W123-I134 HydrophobicContact CZ3-CD1 3.98Å; W123-Y151 AromaticContact CE2-CD2 3.94Å; W123-Y151 VanDerWaalsContact CE2-O 3.28Å; W123-Y151 HydrophobicContact CH2-CD2 4.39Å; W123-Y151 HydrophobicContact CH2-CE2 4.46Å; W123-Y151 AromaticContact CZ2-CD2 3.61Å; W123-Y151 HydrophobicContact CZ2-CD2 3.61Å; W123-Y151 HydrophobicContact CZ2-CE2 4.1Å; W123-Y151 VanDerWaalsContact CZ2-O 3.26Å; W123-Y151 WeakPolarHBondContact CZ2-O 3.14Å; W123-Y151 PolarHBondContact NE1-O 2.81Å; W123-Y162 AromaticContact CD1-CD2 3.41Å; W123-Y162 VanDerWaalsContact CD1-CD2 3.41Å; W123-Y162 AromaticContact CD1-CE2 3.97Å; W123-Y162 AromaticContact CD1-CG 3.91Å; W123-Y162 HydrophobicContact CG-CD2 4.41Å; W123-Y162 AromaticContact NE1-CD2 3.44Å; W123-Y162 AromaticContact NE1-CE2 3.49Å; W123-F165 HydrophobicContact CB-CB 4Å; W123-F165 HydrophobicContact CB-CD2 3.93Å; W123-F165 HydrophobicContact CB-CG 3.88Å; W123-V167 HydrophobicContact CD2-CG2 3.75Å; W123-V167 HydrophobicContact CE3-CG2 4.26Å; W123-V167 HydrophobicContact CG-CG2 4.14Å; W123-V167 HydrophobicContact CH2-CG1 4.06Å; W123-V167 HydrophobicContact CH2-CG2 4.33Å; W123-V167 HydrophobicContact CZ2-CB 4.43Å; W123-V167 HydrophobicContact CZ2-CG1 3.8Å; W123-V167 HydrophobicContact CZ2-CG2 3.82Å; W123-L183 HydrophobicContact CH2-CD1 3.69Å; W123-L183 HydrophobicContact CZ2-CD1 4.27Å; W123-L185 HydrophobicContact CD2-CD1 4.24Å; W123-L185 HydrophobicContact CE3-CD1 3.76Å; W123-L185 HydrophobicContact CE3-CD2 3.91Å; W123-L185 HydrophobicContact CE3-CG 4.41Å; W123-L185 HydrophobicContact CZ3-CD1 4.35Å; W123-L185 HydrophobicContact CZ3-CD2 4.28Å
124	R	96.3	Very high	97.4	Very high	22 Å²	22	28 Å²	28	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-46.2	170.4	-164	175.9	-53.3	119.8	10.6	111.6	S120 D121 F122 W127 E128 E163 E164 F165	S120-R124 WeakPolarHBondContact O-CB 3.26Å; S120-R124 PolarHBondContact O-N 2.79Å; S120-R124 PolarHBondContact OG-NH2 2.85Å; D121-R124 WeakPolarHBondContact O-CB 3.37Å; D121-R124 PolarHBondContact O-N 3.2Å; D121-R124 IonicContact OD1-CZ 3.98Å; D121-R124 IonicContact OD1-NH1 3.06Å; D121-R124 PolarHBondContact OD1-NH1 2.9Å; D121-R124 IonicContact OD1-NH2 3.22Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 3.17Å; R124-W127 PolarHBondContact O-N 2.89Å; R124-E128 WeakPolarHBondContact CD-OE1 3.38Å; R124-E128 HydrophobicContact CG-CG 4.27Å; R124-E128 WeakPolarHBondContact CG-OE1 3.42Å; R124-E128 WeakPolarHBondContact O-CB 3.39Å; R124-E128 WeakPolarHBondContact O-CG 3.39Å; R124-E128 PolarHBondContact O-N 3.4Å; R124-E163 IonicContact NH2-OE2 3.34Å; R124-E163 PolarHBondContact NH2-OE2 3.39Å; R124-E164 IonicContact CZ-OE1 3.8Å; R124-E164 IonicContact NE-OE1 2.69Å; R124-E164 PolarHBondContact NE-OE1 3.24Å; R124-E164 IonicContact NH2-OE1 2.72Å; R124-E164 PolarHBondContact NH2-OE1 3.4Å; R124-F165 VanDerWaalsContact CA-CE2 3.43Å; R124-F165 VanDerWaalsContact CA-CZ 3.42Å; R124-F165 HydrophobicContact CB-CE2 3.51Å; R124-F165 HydrophobicContact CB-CZ 3.81Å; R124-F165 HydrophobicContact CG-CE2 3.93Å; R124-F165 HydrophobicContact CG-CZ 3.86Å
125	M	98	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-51.1	174.1	-176.8	-176	69.1	0	0	111.5	V80 L82 I94 A96 I109 A111 D121 F122 W127 E128 Q129 V236	V80-M125 HydrophobicContact CB-SD 4.38Å; V80-M125 HydrophobicContact CG1-CG 3.87Å; V80-M125 HydrophobicContact CG1-SD 4.23Å; V80-M125 HydrophobicContact CG2-SD 4.36Å; L82-M125 HydrophobicContact CD2-CB 3.82Å; L82-M125 HydrophobicContact CD2-CG 4.47Å; I94-M125 HydrophobicContact CD1-CB 3.9Å; I94-M125 HydrophobicContact CD1-CE 4.36Å; I94-M125 HydrophobicContact CD1-CG 4.45Å; I94-M125 HydrophobicContact CD1-SD 3.86Å; I94-M125 HydrophobicContact CG2-SD 4.27Å; A96-M125 HydrophobicContact CB-SD 3.68Å; I109-M125 HydrophobicContact CD1-CG 4.39Å; I109-M125 HydrophobicContact CD1-SD 4.39Å; I109-M125 HydrophobicContact CG2-CE 4.12Å; I109-M125 HydrophobicContact CG2-SD 3.77Å; A111-M125 HydrophobicContact CB-CE 4.16Å; D121-M125 PolarHBondContact O-N 3.36Å; F122-M125 HydrophobicContact CD2-CE 3.89Å; F122-M125 HydrophobicContact CE2-CE 3.85Å; F122-M125 VanDerWaalsContact O-CB 3.31Å; F122-M125 WeakPolarHBondContact O-CB 3.14Å; F122-M125 PolarHBondContact O-N 2.94Å; M125-W127 VanDerWaalsContact C-N 3.28Å; M125-W127 PolarHBondContact O-N 2.82Å; M125-E128 PolarHBondContact O-N 2.55Å; M125-Q129 HydrophobicContact CG-CG 4.17Å; M125-Q129 VanDerWaalsContact O-CB 3.3Å; M125-Q129 WeakPolarHBondContact O-CB 3.41Å; M125-Q129 VanDerWaalsContact O-CG 3.24Å; M125-Q129 WeakPolarHBondContact O-CG 3.43Å; M125-Q129 PolarHBondContact O-N 2.72Å; M125-V236 HydrophobicContact CE-CG1 3.85Å; M125-V236 HydrophobicContact CE-CG2 4.12Å
126	V	98.1	Very high	97.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-43.6	179.6	173.2	0	0	0	0	110.8	F122 W123 Q130 S131 I134 L185 V197 V236	F122-V126 HydrophobicContact CD1-CG2 4.23Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CZ-CG2 4.45Å; F122-V126 WeakPolarHBondContact O-CG2 3.29Å; F122-V126 PolarHBondContact O-N 2.92Å; W123-V126 HydrophobicContact CE3-CB 4.09Å; W123-V126 HydrophobicContact CE3-CG1 4.15Å; W123-V126 HydrophobicContact CE3-CG2 4.28Å; W123-V126 HydrophobicContact CZ3-CB 4.46Å; W123-V126 HydrophobicContact CZ3-CG1 4.1Å; W123-V126 HydrophobicContact CZ3-CG2 4.49Å; W123-V126 PolarHBondContact O-N 2.8Å; V126-Q130 PolarHBondContact O-N 2.74Å; V126-S131 WeakPolarHBondContact CG1-O 3.39Å; V126-S131 PolarHBondContact O-N 3.34Å; V126-I134 HydrophobicContact CG1-CD1 4.48Å; V126-I134 HydrophobicContact CG2-CD1 4.04Å; V126-I134 HydrophobicContact CG2-CG1 4.49Å; V126-L185 HydrophobicContact CB-CD2 4.47Å; V126-L185 HydrophobicContact CG1-CD2 3.93Å; V126-V197 HydrophobicContact CG1-CG2 4.16Å; V126-V236 HydrophobicContact CG2-CG2 4.37Å
127	W	96.6	Very high	97.5	Very high	7 Å²	7	20 Å²	20	3%	0.027	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-53.8	176.6	-176.3	-97.4	0	0	0	112.7	W123 R124 M125 Q129 Q130 F165 L185 N187 E190 L193 R195	W123-W127 WeakPolarHBondContact O-CB 3.37Å; W123-W127 PolarHBondContact O-N 3.28Å; R124-W127 PolarHBondContact O-N 2.89Å; M125-W127 VanDerWaalsContact C-N 3.28Å; M125-W127 PolarHBondContact O-N 2.82Å; W127-Q129 VanDerWaalsContact C-N 3.33Å; W127-Q129 PolarHBondContact O-N 3.08Å; W127-Q130 PolarHBondContact O-N 3.42Å; W127-Q130 VanDerWaalsContact O-N 3.13Å; W127-F165 HydrophobicContact CB-CD1 4.35Å; W127-F165 HydrophobicContact CB-CE1 3.54Å; W127-F165 HydrophobicContact CB-CZ 4.13Å; W127-F165 HydrophobicContact CD2-CE1 4.19Å; W127-F165 AromaticContact CG-CE1 3.67Å; W127-F165 HydrophobicContact CG-CE1 3.67Å; W127-F165 HydrophobicContact CG-CZ 4.42Å; W127-L185 HydrophobicContact CB-CD2 4.24Å; W127-L185 HydrophobicContact CE3-CD2 3.85Å; W127-L185 HydrophobicContact CE3-CG 3.87Å; W127-L185 HydrophobicContact CZ3-CG 4.34Å; W127-N187 HydrophobicContact CD2-CB 3.99Å; W127-N187 HydrophobicContact CE3-CB 4.36Å; W127-N187 HydrophobicContact CH2-CB 4.01Å; W127-N187 HydrophobicContact CZ2-CB 3.62Å; W127-N187 HydrophobicContact CZ3-CB 4.36Å; W127-N187 PolarHBondContact NE1-ND2 3.33Å; W127-E190 HydrophobicContact CZ2-CB 4.3Å; W127-E190 WeakPolarHBondContact CZ2-OE2 3.46Å; W127-E190 PolarHBondContact NE1-OE1 2.82Å; W127-L193 HydrophobicContact CH2-CB 3.75Å; W127-L193 WeakPolarHBondContact CH2-O 3.3Å; W127-L193 HydrophobicContact CZ2-CB 4.12Å; W127-R195 HydrophobicContact CE3-CG 4.27Å; W127-R195 HydrophobicContact CH2-CG 4.12Å; W127-R195 HydrophobicContact CZ3-CB 4.17Å; W127-R195 HydrophobicContact CZ3-CG 3.63Å; W127-R195 PolarHBondContact O-NH1 3.37Å
128	E	95.6	Very high	97.6	Very high	60 Å²	60	13.5 Å²	13.5	28%	0.28	7%	0.066	S	C	.	.	H	α-helix	trans	-66.1	-36.5	-174.6	-72	177.6	-173.4	0	0	112.5	L82 A83 R124 M125 Q130	L82-E128 VanDerWaalsContact CA-OE2 3.28Å; L82-E128 WeakPolarHBondContact CA-OE2 3.45Å; A83-E128 VanDerWaalsContact CB-OE1 3.28Å; A83-E128 WeakPolarHBondContact CB-OE1 3.44Å; A83-E128 VanDerWaalsContact N-CD 3.32Å; A83-E128 PolarHBondContact N-OE1 3.18Å; A83-E128 VanDerWaalsContact N-OE1 3.1Å; A83-E128 PolarHBondContact N-OE2 3.44Å; R124-E128 WeakPolarHBondContact CD-OE1 3.38Å; R124-E128 HydrophobicContact CG-CG 4.27Å; R124-E128 WeakPolarHBondContact CG-OE1 3.42Å; R124-E128 WeakPolarHBondContact O-CB 3.39Å; R124-E128 WeakPolarHBondContact O-CG 3.39Å; R124-E128 PolarHBondContact O-N 3.4Å; M125-E128 PolarHBondContact O-N 2.55Å; E128-Q130 PolarHBondContact O-N 2.88Å
129	Q	97.4	Very high	97.5	Very high	46 Å²	46	18.3 Å²	18.3	22%	0.215	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.2	178.4	-55.6	-52.7	-47.5	0	0	112.7	V80 F98 I109 M125 W127 S131 P234	V80-Q129 HydrophobicContact CG1-CG 4.1Å; F98-Q129 VanDerWaalsContact CZ-OE1 3.3Å; I109-Q129 HydrophobicContact CD1-CB 3.95Å; I109-Q129 HydrophobicContact CD1-CG 3.74Å; M125-Q129 HydrophobicContact CG-CG 4.17Å; M125-Q129 VanDerWaalsContact O-CB 3.3Å; M125-Q129 WeakPolarHBondContact O-CB 3.41Å; M125-Q129 VanDerWaalsContact O-CG 3.24Å; M125-Q129 WeakPolarHBondContact O-CG 3.43Å; M125-Q129 PolarHBondContact O-N 2.72Å; W127-Q129 VanDerWaalsContact C-N 3.33Å; W127-Q129 PolarHBondContact O-N 3.08Å; Q129-S131 PolarHBondContact O-N 2.87Å; Q129-P234 HydrophobicContact CB-CG 4.04Å; Q129-P234 WeakPolarHBondContact O-CD 3.35Å
130	Q	96.4	Very high	97.5	Very high	91 Å²	91	19.4 Å²	19.4	43%	0.425	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.3	-178.3	-42.4	-174.2	-71	0	0	112.4	V126 W127 E128 S132 F231	V126-Q130 PolarHBondContact O-N 2.74Å; W127-Q130 PolarHBondContact O-N 3.42Å; W127-Q130 VanDerWaalsContact O-N 3.13Å; E128-Q130 PolarHBondContact O-N 2.88Å; Q130-S132 PolarHBondContact O-N 2.88Å; Q130-F231 HydrophobicContact CB-CB 3.74Å; Q130-F231 HydrophobicContact CB-CG 4.25Å; Q130-F231 WeakPolarHBondContact O-CB 3.2Å
131	S	97.9	Very high	97.5	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	11%	0.11	C	C	.	.			trans	-73.3	121.5	-179.9	-65.9	0	0	0	0	110.4	V126 Q129 P234 V236	V126-S131 WeakPolarHBondContact CG1-O 3.39Å; V126-S131 PolarHBondContact O-N 3.34Å; Q129-S131 PolarHBondContact O-N 2.87Å; S131-P234 VanDerWaalsContact CB-O 3.3Å; S131-P234 WeakPolarHBondContact CB-O 3.25Å; S131-P234 PolarHBondContact OG-O 3.37Å; S131-V236 WeakPolarHBondContact OG-CG2 3.45Å
132	S	97.3	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	11%	0.11	C	C	.	.			trans	-94.4	-13.4	175	-67.9	0	0	0	0	113.6	Q130 V197 T198 F231	Q130-S132 PolarHBondContact O-N 2.88Å; S132-V197 CarbonylContact O-C 3.5Å; S132-V197 WeakPolarHBondContact O-CA 3.3Å; S132-T198 PolarHBondContact O-N 3.43Å; S132-F231 WeakPolarHBondContact OG-CD2 3.36Å
133	I	98.7	Very high	96.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.8	-173.3	-56.2	170.1	0	0	0	109.7	V135 T198 V224 F227 N229 I235 V236	I133-V135 HydrophobicContact CG2-CG2 4.14Å; I133-T198 WeakPolarHBondContact CA-O 3.43Å; I133-V224 HydrophobicContact CG2-CG1 4.22Å; I133-F227 HydrophobicContact CD1-CB 3.83Å; I133-F227 HydrophobicContact CG1-CB 4.2Å; I133-F227 HydrophobicContact CG2-CD2 4.14Å; I133-N229 HydrophobicContact CD1-CB 4.13Å; I133-I235 HydrophobicContact CB-CG1 4.4Å; I133-I235 HydrophobicContact CB-CG2 4.24Å; I133-I235 HydrophobicContact CD1-CG1 4.45Å; I133-I235 HydrophobicContact CG2-CG2 3.99Å; I133-V236 PolarHBondContact O-N 3.29Å
134	I	98.9	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.4	172.3	-53.9	170.7	0	0	0	109.1	F122 W123 V126 Y151 V197 T198 H199 I200 V236	F122-I134 HydrophobicContact CE1-CD1 4.15Å; F122-I134 HydrophobicContact CZ-CG2 4.3Å; W123-I134 HydrophobicContact CH2-CD1 3.99Å; W123-I134 HydrophobicContact CZ3-CD1 3.98Å; V126-I134 HydrophobicContact CG1-CD1 4.48Å; V126-I134 HydrophobicContact CG2-CD1 4.04Å; V126-I134 HydrophobicContact CG2-CG1 4.49Å; I134-Y151 HydrophobicContact CD1-CE2 4.31Å; I134-Y151 VanDerWaalsContact CG2-OH 3.25Å; I134-Y151 WeakPolarHBondContact CG2-OH 3.14Å; I134-V197 HydrophobicContact CD1-CG1 3.65Å; I134-V197 HydrophobicContact CG1-CG1 3.88Å; I134-T198 PolarHBondContact N-O 3.36Å; I134-H199 HydrophobicContact CB-CB 4.4Å; I134-H199 WeakPolarHBondContact O-CA 3.34Å; I134-I200 PolarHBondContact O-N 2.84Å; I134-V236 CarbonylContact C-O 3.52Å; I134-V236 WeakPolarHBondContact CA-O 3.49Å; I134-V236 HydrophobicContact CG1-CB 4.33Å; I134-V236 HydrophobicContact CG2-CB 4.47Å; I134-V236 HydrophobicContact CG2-CG1 4.43Å
135	V	98.9	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	103.7	176.9	-174	0	0	0	0	108.7	I133 V137 I200 L220 V224 I235 V236 V237 H238 Y249	I133-V135 HydrophobicContact CG2-CG2 4.14Å; V135-V137 HydrophobicContact CG1-CG1 4.06Å; V135-I200 HydrophobicContact CB-CG2 4.36Å; V135-I200 HydrophobicContact CG1-CG2 4.32Å; V135-I200 HydrophobicContact CG2-CG2 4.05Å; V135-L220 HydrophobicContact CG1-CD2 4.36Å; V135-V224 HydrophobicContact CG1-CG2 4.41Å; V135-V224 HydrophobicContact CG2-CG1 4.01Å; V135-V224 HydrophobicContact CG2-CG2 3.62Å; V135-I235 HydrophobicContact CG2-CG2 3.74Å; V135-V236 PolarHBondContact N-O 3.43Å; V135-V237 HydrophobicContact CB-CG1 4.23Å; V135-V237 HydrophobicContact CB-CG2 4.24Å; V135-V237 HydrophobicContact CG1-CG1 4.38Å; V135-V237 WeakPolarHBondContact O-CA 3.43Å; V135-H238 PolarHBondContact O-N 3.4Å; V135-Y249 HydrophobicContact CG1-CD1 4.3Å; V135-Y249 HydrophobicContact CG1-CE1 4.09Å; V135-Y249 HydrophobicContact CG1-CE2 4.34Å; V135-Y249 HydrophobicContact CG2-CE1 4.37Å
136	M	98.8	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.5	177.4	177.8	173.1	-174.7	0	0	109.6	T138 C148 Y151 W152 I200 Q201 F202 H238	M136-T138 HydrophobicContact CE-CG2 3.68Å; M136-T138 WeakPolarHBondContact CE-O 3.47Å; M136-T138 HydrophobicContact CG-CG2 4.08Å; M136-C148 HydrophobicContact CE-CB 3.87Å; M136-Y151 HydrophobicContact SD-CE1 4.14Å; M136-W152 HydrophobicContact CE-CH2 3.85Å; M136-W152 HydrophobicContact CE-CZ3 3.99Å; M136-W152 HydrophobicContact SD-CH2 3.68Å; M136-W152 HydrophobicContact SD-CZ3 3.56Å; M136-W152 VanDerWaalsContact SD-CZ3 3.56Å; M136-I200 PolarHBondContact N-O 3.11Å; M136-Q201 HydrophobicContact CB-CB 4.33Å; M136-Q201 HydrophobicContact CB-CG 4.21Å; M136-Q201 HydrophobicContact CG-CG 3.92Å; M136-Q201 CarbonylContact O-C 3.54Å; M136-Q201 VanDerWaalsContact O-CA 3.29Å; M136-Q201 WeakPolarHBondContact O-CA 3.42Å; M136-Q201 HydrophobicContact SD-CG 3.87Å; M136-F202 PolarHBondContact O-N 2.84Å; M136-H238 WeakPolarHBondContact CB-NE2 3.41Å; M136-H238 VanDerWaalsContact CG-CE1 3.45Å; M136-H238 WeakPolarHBondContact CG-CE1 3.36Å; M136-H238 WeakPolarHBondContact CG-NE2 3.15Å
137	V	98.3	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.			trans	-105.4	47.2	-179.7	-67.9	0	0	0	0	112.1	V135 F202 L220 H238 C239 R245	V135-V137 HydrophobicContact CG1-CG1 4.06Å; V137-F202 HydrophobicContact CG1-CB 4.1Å; V137-L220 HydrophobicContact CG1-CD2 3.84Å; V137-H238 WeakPolarHBondContact CG2-O 3.3Å; V137-H238 PolarHBondContact N-O 2.88Å; V137-C239 HydrophobicContact CG2-CB 3.96Å; V137-R245 HydrophobicContact CB-CB 4.28Å; V137-R245 HydrophobicContact CG2-CB 3.68Å; V137-R245 WeakPolarHBondContact O-CD 3.42Å
138	T	97.1	Very high	96.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	23%	0.233	C	C	.	.	S	Bend	trans	-157	156.2	178.8	-164.6	0	0	0	0	110.5	M136 E142 C148 Q201 R245	M136-T138 HydrophobicContact CE-CG2 3.68Å; M136-T138 WeakPolarHBondContact CE-O 3.47Å; M136-T138 HydrophobicContact CG-CG2 4.08Å; T138-E142 PolarHBondContact OG1-OE1 3.36Å; T138-C148 HydrophobicContact CG2-CB 4.14Å; T138-Q201 PolarHBondContact O-NE2 3.11Å; T138-Q201 VanDerWaalsContact O-NE2 3.09Å; T138-R245 PolarHBondContact OG1-NH1 3.42Å
139	R	96.9	Very high	96.2	Very high	108 Å²	108	44.9 Å²	44.9	41%	0.408	22%	0.222	S	C	.	.			trans	-81.7	161.4	159.8	-59.3	-179	-175.2	167.3	1.8	109.6	E141 E142 M203	R139-E141 WeakPolarHBondContact CB-O 3.27Å; R139-E141 PolarHBondContact O-N 3.39Å; R139-E142 HydrophobicContact CB-CG 3.88Å; R139-E142 PolarHBondContact N-OE1 2.97Å; R139-M203 HydrophobicContact CG-CE 3.91Å; R139-M203 HydrophobicContact CG-SD 4.21Å; R139-M203 PolarHBondContact NE-O 2.82Å; R139-M203 PolarHBondContact NH2-O 3.22Å
140	C	96.9	Very high	96.2	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.216	23%	0.233	C	C	.	.	S	Bend	trans	-64.9	-33.9	173.9	-67.5	0	0	0	0	111.4	I146 K147 C148 W152	C140-I146 CarbonylContact O-C 3.58Å; C140-K147 PolarHBondContact O-N 3.24Å; C140-C148 WeakPolarHBondContact CA-O 3.31Å; C140-C148 WeakPolarHBondContact CB-O 3.3Å; C140-C148 PolarHBondContact O-N 2.98Å; C140-C148 VanDerWaalsContact O-N 3.1Å; C140-W152 WeakPolarHBondContact SG-CH2 3.44Å
141	E	95.3	Very high	96.3	Very high	104 Å²	104	42.9 Å²	42.9	49%	0.486	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.4	-179.8	-176.6	168.1	-165.2	0	0	109.8	R139 N144 R145	R139-E141 WeakPolarHBondContact CB-O 3.27Å; R139-E141 PolarHBondContact O-N 3.39Å; E141-N144 WeakPolarHBondContact OE1-CA 3.42Å; E141-R145 WeakPolarHBondContact CA-O 3.47Å
142	E	92.4	Very high	96.3	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.7	174.7	-50.3	170.5	171.1	0	0	107.5	T138 R139 N144 R145 K147 D207 R245	T138-E142 PolarHBondContact OG1-OE1 3.36Å; R139-E142 HydrophobicContact CB-CG 3.88Å; R139-E142 PolarHBondContact N-OE1 2.97Å; E142-N144 VanDerWaalsContact C-N 3.28Å; E142-N144 PolarHBondContact O-N 3.02Å; E142-R145 PolarHBondContact N-O 2.87Å; E142-R145 VanDerWaalsContact N-O 3.09Å; E142-R145 WeakPolarHBondContact O-CB 3.47Å; E142-R145 PolarHBondContact O-N 2.79Å; E142-K147 HydrophobicContact CB-CG 4.2Å; E142-K147 HydrophobicContact CG-CG 3.96Å; E142-K147 WeakPolarHBondContact OE2-CE 3.33Å; E142-K147 IonicContact OE2-NZ 3.03Å; E142-D207 HydrophobicContact CB-CB 3.97Å; E142-R245 IonicContact OE1-CZ 2.72Å; E142-R245 IonicContact OE1-NH1 2.79Å; E142-R245 PolarHBondContact OE1-NH1 2.73Å; E142-R245 IonicContact OE1-NH2 3.41Å; E142-R245 IonicContact OE2-CZ 2.86Å; E142-R245 IonicContact OE2-NH1 3.17Å; E142-R245 PolarHBondContact OE2-NH1 2.73Å; E142-R245 IonicContact OE2-NH2 3.1Å; E142-R245 PolarHBondContact OE2-NH2 2.87Å
143	G	87.5	Confident	96.2	Very high	49 Å²	49	43.1 Å²	43.1	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	39.6	-178.6	0	0	0	0	0	113.5	R145 D207	G143-R145 PolarHBondContact O-N 3.32Å; G143-D207 PolarHBondContact N-OD2 3.2Å
144	N	88.8	Confident	95.7	Very high	150 Å²	150	44.9 Å²	44.9	80%	0.802	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	24.3	-173.5	-59.8	-41.4	0	0	0	114.6	E141 E142	E141-N144 WeakPolarHBondContact OE1-CA 3.42Å; E142-N144 VanDerWaalsContact C-N 3.28Å; E142-N144 PolarHBondContact O-N 3.02Å
145	R	92.5	Very high	94.7	Very high	183 Å²	183	50.2 Å²	50.2	69%	0.691	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.2	177.6	-66.2	-179.9	179.4	-177	2.1	110.6	E141 E142 G143 K147	E141-R145 WeakPolarHBondContact CA-O 3.47Å; E142-R145 PolarHBondContact N-O 2.87Å; E142-R145 VanDerWaalsContact N-O 3.09Å; E142-R145 WeakPolarHBondContact O-CB 3.47Å; E142-R145 PolarHBondContact O-N 2.79Å; G143-R145 PolarHBondContact O-N 3.32Å; R145-K147 PolarHBondContact O-N 2.74Å; R145-K147 VanDerWaalsContact O-N 3.15Å
146	I	95.9	Very high	94	Very high	110 Å²	110	58 Å²	58	56%	0.564	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	113.4	174.6	-58.3	172.4	0	0	0	109.8	R68 C140	R68-I146 PolarHBondContact NH1-O 2.95Å; C140-I146 CarbonylContact O-C 3.58Å
147	K	97.4	Very high	93.5	Very high	35 Å²	35	64.1 Å²	64.1	15%	0.152	32%	0.318	C	S	.	.			trans	-94.9	-32.1	175.6	-57.3	-63.3	-174	158.3	0	112	R68 C140 E142 R145 D207 S240	R68-K147 PolarHBondContact NE-O 2.82Å; R68-K147 PolarHBondContact NH1-O 3.29Å; C140-K147 PolarHBondContact O-N 3.24Å; E142-K147 HydrophobicContact CB-CG 4.2Å; E142-K147 HydrophobicContact CG-CG 3.96Å; E142-K147 WeakPolarHBondContact OE2-CE 3.33Å; E142-K147 IonicContact OE2-NZ 3.03Å; R145-K147 PolarHBondContact O-N 2.74Å; R145-K147 VanDerWaalsContact O-N 3.15Å; K147-D207 IonicContact NZ-OD1 2.64Å; K147-D207 PolarHBondContact NZ-OD1 3.23Å; K147-S240 WeakPolarHBondContact O-CA 3.42Å; K147-S240 PolarHBondContact O-OG 2.89Å; K147-S240 VanDerWaalsContact O-OG 3.11Å
148	C	98.3	Very high	93.1	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.014	35%	0.345	C	S	.	.	S	Bend	trans	-152.6	138.2	-177.9	-172.7	0	0	0	0	109.9	P114 M136 T138 C140	P114-C148 VanDerWaalsContact CD-SG 3.57Å; M136-C148 HydrophobicContact CE-CB 3.87Å; T138-C148 HydrophobicContact CG2-CB 4.14Å; C140-C148 WeakPolarHBondContact CA-O 3.31Å; C140-C148 WeakPolarHBondContact CB-O 3.3Å; C140-C148 PolarHBondContact O-N 2.98Å; C140-C148 VanDerWaalsContact O-N 3.1Å
149	A	98	Very high	93	Very high	5 Å²	5	72.5 Å²	72.5	4%	0.041	36%	0.361	C	S	.	.			trans	-67.8	147.2	167.4	0	0	0	0	0	109.4	P114 D116 V119 Y151	P114-A149 VanDerWaalsContact O-CB 3.29Å; P114-A149 WeakPolarHBondContact O-CB 3.49Å; P114-A149 PolarHBondContact O-N 3.4Å; D116-A149 WeakPolarHBondContact OD1-CB 3.44Å; V119-A149 HydrophobicContact CG2-CB 4.22Å; A149-Y151 WeakPolarHBondContact O-CD1 3.41Å; A149-Y151 PolarHBondContact O-N 3.04Å
150	Q	97.5	Very high	92.9	Very high	95 Å²	95	69.1 Å²	69.1	44%	0.444	35%	0.35	S	S	.	.			trans	-73.7	108.2	169.3	-176.5	178.3	-37.6	0	0	108.7	W152	Q150-W152 HydrophobicContact CG-CD2 3.77Å; Q150-W152 HydrophobicContact CG-CE3 4.13Å; Q150-W152 HydrophobicContact CG-CG 4.28Å; Q150-W152 HydrophobicContact CG-CH2 4.21Å; Q150-W152 HydrophobicContact CG-CZ2 3.82Å; Q150-W152 HydrophobicContact CG-CZ3 4.33Å; Q150-W152 WeakPolarHBondContact CG-O 3.18Å; Q150-W152 PolarHBondContact NE2-O 3.41Å
151	Y	98	Very high	92.8	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.361	C	S	.	.			trans	-101.5	12.2	-176.3	61.5	-91.1	0	0	0	113.1	P114 F122 W123 I134 M136 A149 Y162 H199 H238	P114-Y151 HydrophobicContact CG-CD1 3.4Å; P114-Y151 HydrophobicContact CG-CE1 4.03Å; P114-Y151 HydrophobicContact CG-CG 3.85Å; F122-Y151 HydrophobicContact CD1-CD2 4.03Å; F122-Y151 HydrophobicContact CD1-CE2 4.22Å; F122-Y151 HydrophobicContact CD1-CG 4.48Å; F122-Y151 AromaticContact CE1-CD2 3.79Å; F122-Y151 HydrophobicContact CE1-CD2 3.79Å; F122-Y151 AromaticContact CE1-CE2 3.5Å; F122-Y151 HydrophobicContact CE1-CE2 3.5Å; F122-Y151 HydrophobicContact CE1-CG 4.46Å; F122-Y151 AromaticContact CE1-CZ 3.93Å; F122-Y151 HydrophobicContact CZ-CE2 4.18Å; W123-Y151 AromaticContact CE2-CD2 3.94Å; W123-Y151 VanDerWaalsContact CE2-O 3.28Å; W123-Y151 HydrophobicContact CH2-CD2 4.39Å; W123-Y151 HydrophobicContact CH2-CE2 4.46Å; W123-Y151 AromaticContact CZ2-CD2 3.61Å; W123-Y151 HydrophobicContact CZ2-CD2 3.61Å; W123-Y151 HydrophobicContact CZ2-CE2 4.1Å; W123-Y151 VanDerWaalsContact CZ2-O 3.26Å; W123-Y151 WeakPolarHBondContact CZ2-O 3.14Å; W123-Y151 PolarHBondContact NE1-O 2.81Å; I134-Y151 HydrophobicContact CD1-CE2 4.31Å; I134-Y151 VanDerWaalsContact CG2-OH 3.25Å; I134-Y151 WeakPolarHBondContact CG2-OH 3.14Å; M136-Y151 HydrophobicContact SD-CE1 4.14Å; A149-Y151 WeakPolarHBondContact O-CD1 3.41Å; A149-Y151 PolarHBondContact O-N 3.04Å; Y151-Y162 VanDerWaalsContact O-CE2 3.29Å; Y151-Y162 WeakPolarHBondContact O-CE2 3.11Å; Y151-Y162 PolarHBondContact O-OH 3Å; Y151-H199 AromaticContact CE2-CD2 3.93Å; Y151-H199 AromaticContact CZ-CD2 3.76Å; Y151-H199 AromaticContact CZ-NE2 3.56Å; Y151-H199 PolarHBondContact OH-CD2 2.94Å; Y151-H199 PolarHBondContact OH-NE2 2.73Å; Y151-H238 AromaticContact CE1-CE1 3.69Å; Y151-H238 AromaticContact CE1-NE2 3.41Å; Y151-H238 WeakPolarHBondContact CE1-NE2 3.35Å; Y151-H238 AromaticContact CZ-NE2 3.45Å; Y151-H238 PolarHBondContact OH-NE2 3.18Å
152	W	97.9	Very high	92.8	Very high	11 Å²	11	68.4 Å²	68.4	4%	0.042	34%	0.344	C	S	.	.	S	Bend	trans	-125.9	158	177.4	64.4	91.2	0	0	0	111.1	M136 C140 Q150 Y162 R181 L183	M136-W152 HydrophobicContact CE-CH2 3.85Å; M136-W152 HydrophobicContact CE-CZ3 3.99Å; M136-W152 HydrophobicContact SD-CH2 3.68Å; M136-W152 HydrophobicContact SD-CZ3 3.56Å; M136-W152 VanDerWaalsContact SD-CZ3 3.56Å; C140-W152 WeakPolarHBondContact SG-CH2 3.44Å; Q150-W152 HydrophobicContact CG-CD2 3.77Å; Q150-W152 HydrophobicContact CG-CE3 4.13Å; Q150-W152 HydrophobicContact CG-CG 4.28Å; Q150-W152 HydrophobicContact CG-CH2 4.21Å; Q150-W152 HydrophobicContact CG-CZ2 3.82Å; Q150-W152 HydrophobicContact CG-CZ3 4.33Å; Q150-W152 WeakPolarHBondContact CG-O 3.18Å; Q150-W152 PolarHBondContact NE2-O 3.41Å; W152-Y162 PolarHBondContact N-OH 3.44Å; W152-R181 VanDerWaalsContact CD1-CD 3.49Å; W152-R181 VanDerWaalsContact CE2-CZ 3.42Å; W152-R181 VanDerWaalsContact CZ2-NH1 3.26Å; W152-R181 VanDerWaalsContact NE1-NE 3.13Å; W152-L183 HydrophobicContact CB-CD1 4.41Å
153	P	95.3	Very high	92.8	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.006	37%	0.368	C	S	.	.			trans	-65.5	145.4	178	-11.7	25.4	0	0	0	112.3	R157 E160 V167 L169	P153-R157 WeakPolarHBondContact CB-O 3.42Å; P153-E160 HydrophobicContact CB-CB 4.25Å; P153-E160 HydrophobicContact CB-CG 3.83Å; P153-E160 HydrophobicContact CG-CB 4.02Å; P153-E160 HydrophobicContact CG-CG 4.15Å; P153-V167 HydrophobicContact CG-CB 4.31Å; P153-V167 HydrophobicContact CG-CG1 4.09Å; P153-V167 WeakPolarHBondContact CG-O 3.49Å; P153-L169 HydrophobicContact CB-CB 4.37Å; P153-L169 HydrophobicContact CG-CB 4.43Å
154	S	88.2	Confident	93	Very high	41 Å²	41	72.1 Å²	72.1	29%	0.287	35%	0.348	S	S	.	.			trans	-79.8	168.5	173.1	65.1	0	0	0	0	111.6	D156 R157	S154-D156 PolarHBondContact O-N 3.37Å; S154-R157 CarbonylContact O-C 3.46Å; S154-R157 PolarHBondContact O-N 3.27Å; S154-R157 PolarHBondContact OG-N 3.09Å
155	L	79.1	Confident	93.3	Very high	111 Å²	111	65.1 Å²	65.1	58%	0.581	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.9	174.3	-72.9	170.6	0	0	0	112.8	R157 L169 E172	L155-R157 PolarHBondContact O-N 3.45Å; L155-L169 HydrophobicContact CD2-CD2 4.06Å; L155-E172 WeakPolarHBondContact CD1-OE2 3.5Å; L155-E172 HydrophobicContact CD2-CB 4.32Å; L155-E172 WeakPolarHBondContact CG-OE2 3.33Å
156	D	83.6	Confident	93.5	Very high	164 Å²	164	58.7 Å²	58.7	88%	0.877	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.3	177.8	-57.7	-44.6	0	0	0	112.9	S154	S154-D156 PolarHBondContact O-N 3.37Å
157	R	88.2	Confident	93.6	Very high	128 Å²	128	53.5 Å²	53.5	48%	0.483	26%	0.263	S	S	.	.			trans	-139.8	86.7	-178.7	-177.3	164.6	173.5	-154.6	-0.2	109.4	P153 S154 L155 T159 E160	P153-R157 WeakPolarHBondContact CB-O 3.42Å; S154-R157 CarbonylContact O-C 3.46Å; S154-R157 PolarHBondContact O-N 3.27Å; S154-R157 PolarHBondContact OG-N 3.09Å; L155-R157 PolarHBondContact O-N 3.45Å; R157-T159 WeakPolarHBondContact CG-O 3.47Å; R157-T159 PolarHBondContact NE-O 2.76Å; R157-T159 PolarHBondContact O-N 3.26Å; R157-E160 WeakPolarHBondContact CD-OE1 3.35Å; R157-E160 IonicContact CZ-OE1 3.46Å; R157-E160 IonicContact CZ-OE2 2.7Å; R157-E160 IonicContact NE-OE1 3.03Å; R157-E160 PolarHBondContact NE-OE1 2.94Å; R157-E160 IonicContact NE-OE2 3.27Å; R157-E160 IonicContact NH1-OE1 3.3Å; R157-E160 PolarHBondContact NH1-OE1 3.48Å; R157-E160 IonicContact NH1-OE2 3.43Å; R157-E160 PolarHBondContact NH1-OE2 3.26Å; R157-E160 IonicContact NH2-OE1 3.6Å; R157-E160 IonicContact NH2-OE2 2.74Å; R157-E160 PolarHBondContact NH2-OE2 3.29Å
158	E	89.1	Confident	93.6	Very high	122 Å²	122	56.2 Å²	56.2	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-61.6	-10.7	-177	-61.7	179.2	179.3	0	0	114.6	K168 L169	E158-K168 CarbonylContact O-C 3.59Å; E158-K168 VanDerWaalsContact O-CA 3.27Å; E158-K168 WeakPolarHBondContact O-CA 3.09Å; E158-L169 PolarHBondContact O-N 3.47Å
159	T	95.2	Very high	93.5	Very high	56 Å²	56	56.6 Å²	56.6	34%	0.344	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128	179.7	-58.1	0	0	0	0	112	R157 I166 V167	R157-T159 WeakPolarHBondContact CG-O 3.47Å; R157-T159 PolarHBondContact NE-O 2.76Å; R157-T159 PolarHBondContact O-N 3.26Å; T159-I166 HydrophobicContact CG2-CG2 3.61Å; T159-V167 WeakPolarHBondContact CA-O 3.23Å
160	E	95.8	Very high	93.4	Very high	37 Å²	37	60.8 Å²	60.8	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.4	173.6	-76.7	-69.4	174	0	0	111.2	P153 R157 Y162 V167	P153-E160 HydrophobicContact CB-CB 4.25Å; P153-E160 HydrophobicContact CB-CG 3.83Å; P153-E160 HydrophobicContact CG-CB 4.02Å; P153-E160 HydrophobicContact CG-CG 4.15Å; R157-E160 WeakPolarHBondContact CD-OE1 3.35Å; R157-E160 IonicContact CZ-OE1 3.46Å; R157-E160 IonicContact CZ-OE2 2.7Å; R157-E160 IonicContact NE-OE1 3.03Å; R157-E160 PolarHBondContact NE-OE1 2.94Å; R157-E160 IonicContact NE-OE2 3.27Å; R157-E160 IonicContact NH1-OE1 3.3Å; R157-E160 PolarHBondContact NH1-OE1 3.48Å; R157-E160 IonicContact NH1-OE2 3.43Å; R157-E160 PolarHBondContact NH1-OE2 3.26Å; R157-E160 IonicContact NH2-OE1 3.6Å; R157-E160 IonicContact NH2-OE2 2.74Å; R157-E160 PolarHBondContact NH2-OE2 3.29Å; E160-Y162 HydrophobicContact CB-CD2 4.49Å; E160-Y162 HydrophobicContact CB-CE1 4.29Å; E160-Y162 HydrophobicContact CB-CE2 3.71Å; E160-V167 PolarHBondContact N-O 3.31Å; E160-V167 PolarHBondContact O-N 3.35Å
161	I	95.4	Very high	93.3	Very high	87 Å²	87	58.6 Å²	58.6	45%	0.446	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.2	179.4	-63	-178.2	0	0	0	108.1	F165 I166	I161-F165 WeakPolarHBondContact CA-O 3.35Å; I161-I166 HydrophobicContact CG1-CG1 4.37Å
162	Y	94.3	Very high	93.1	Very high	35 Å²	35	60.6 Å²	60.6	14%	0.137	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	89	174.8	-52.3	-70.1	0	0	0	108.2	V119 W123 Y151 W152 E160 E164 F165 V167	V119-Y162 HydrophobicContact CB-CD1 4.3Å; V119-Y162 HydrophobicContact CG1-CD1 3.35Å; V119-Y162 HydrophobicContact CG1-CD2 4.18Å; V119-Y162 HydrophobicContact CG1-CE1 3.58Å; V119-Y162 HydrophobicContact CG1-CE2 4.36Å; V119-Y162 HydrophobicContact CG1-CG 3.68Å; W123-Y162 AromaticContact CD1-CD2 3.41Å; W123-Y162 VanDerWaalsContact CD1-CD2 3.41Å; W123-Y162 AromaticContact CD1-CE2 3.97Å; W123-Y162 AromaticContact CD1-CG 3.91Å; W123-Y162 HydrophobicContact CG-CD2 4.41Å; W123-Y162 AromaticContact NE1-CD2 3.44Å; W123-Y162 AromaticContact NE1-CE2 3.49Å; Y151-Y162 VanDerWaalsContact O-CE2 3.29Å; Y151-Y162 WeakPolarHBondContact O-CE2 3.11Å; Y151-Y162 PolarHBondContact O-OH 3Å; W152-Y162 PolarHBondContact N-OH 3.44Å; E160-Y162 HydrophobicContact CB-CD2 4.49Å; E160-Y162 HydrophobicContact CB-CE1 4.29Å; E160-Y162 HydrophobicContact CB-CE2 3.71Å; Y162-E164 PolarHBondContact O-N 3.49Å; Y162-E164 VanDerWaalsContact O-N 3.14Å; Y162-F165 PolarHBondContact N-O 3.44Å; Y162-F165 PolarHBondContact O-N 2.87Å; Y162-V167 HydrophobicContact CD2-CB 4.34Å; Y162-V167 HydrophobicContact CD2-CG2 3.71Å; Y162-V167 HydrophobicContact CE2-CB 4.05Å; Y162-V167 HydrophobicContact CE2-CG2 3.82Å
163	E	92.3	Very high	93	Very high	124 Å²	124	64.3 Å²	64.3	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-111.3	-173.5	-56.8	-178.4	160.7	0	0	113	S120 R124 K188	S120-E163 VanDerWaalsContact CB-CD 3.5Å; S120-E163 VanDerWaalsContact CB-OE2 3.25Å; S120-E163 WeakPolarHBondContact CB-OE2 2.83Å; S120-E163 PolarHBondContact OG-OE2 2.82Å; R124-E163 IonicContact NH2-OE2 3.34Å; R124-E163 PolarHBondContact NH2-OE2 3.39Å; E163-K188 PolarHBondContact O-NZ 2.89Å
164	E	92	Very high	92.8	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.084	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.3	175.4	60.1	-96.4	-167.1	0	0	114.5	R124 Y162 K188 R189	R124-E164 IonicContact CZ-OE1 3.8Å; R124-E164 IonicContact NE-OE1 2.69Å; R124-E164 PolarHBondContact NE-OE1 3.24Å; R124-E164 IonicContact NH2-OE1 2.72Å; R124-E164 PolarHBondContact NH2-OE1 3.4Å; Y162-E164 PolarHBondContact O-N 3.49Å; Y162-E164 VanDerWaalsContact O-N 3.14Å; E164-K188 WeakPolarHBondContact O-CB 3.37Å; E164-K188 WeakPolarHBondContact O-CG 3.24Å; E164-K188 PolarHBondContact O-N 3.27Å; E164-R189 HydrophobicContact CB-CG 4.13Å; E164-R189 IonicContact OE1-NH2 2.73Å; E164-R189 IonicContact OE2-CZ 3.05Å; E164-R189 IonicContact OE2-NE 2.61Å; E164-R189 IonicContact OE2-NH2 3.78Å; E164-R189 PolarHBondContact OE2-NH2 3.13Å
165	F	95.4	Very high	93.1	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.6	-176.8	-62.1	-73	0	0	0	111.3	W123 R124 W127 I161 Y162 L185 T186 N187	W123-F165 HydrophobicContact CB-CB 4Å; W123-F165 HydrophobicContact CB-CD2 3.93Å; W123-F165 HydrophobicContact CB-CG 3.88Å; R124-F165 VanDerWaalsContact CA-CE2 3.43Å; R124-F165 VanDerWaalsContact CA-CZ 3.42Å; R124-F165 HydrophobicContact CB-CE2 3.51Å; R124-F165 HydrophobicContact CB-CZ 3.81Å; R124-F165 HydrophobicContact CG-CE2 3.93Å; R124-F165 HydrophobicContact CG-CZ 3.86Å; W127-F165 HydrophobicContact CB-CD1 4.35Å; W127-F165 HydrophobicContact CB-CE1 3.54Å; W127-F165 HydrophobicContact CB-CZ 4.13Å; W127-F165 HydrophobicContact CD2-CE1 4.19Å; W127-F165 AromaticContact CG-CE1 3.67Å; W127-F165 HydrophobicContact CG-CE1 3.67Å; W127-F165 HydrophobicContact CG-CZ 4.42Å; I161-F165 WeakPolarHBondContact CA-O 3.35Å; Y162-F165 PolarHBondContact N-O 3.44Å; Y162-F165 PolarHBondContact O-N 2.87Å; F165-L185 HydrophobicContact CB-CD1 4.07Å; F165-L185 HydrophobicContact CD1-CD1 4.01Å; F165-L185 HydrophobicContact CG-CD1 4.39Å; F165-T186 WeakPolarHBondContact CA-O 3.41Å; F165-N187 HydrophobicContact CD1-CB 4.25Å; F165-N187 HydrophobicContact CE1-CB 3.95Å
166	I	96.5	Very high	93.6	Very high	49 Å²	49	63.4 Å²	63.4	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.4	171.2	-55.5	171.1	0	0	0	106.4	T159 I161 T186 K188	T159-I166 HydrophobicContact CG2-CG2 3.61Å; I161-I166 HydrophobicContact CG1-CG1 4.37Å; I166-T186 PolarHBondContact N-O 3.34Å; I166-T186 PolarHBondContact O-N 3.31Å; I166-K188 HydrophobicContact CD1-CD 4.33Å; I166-K188 HydrophobicContact CD1-CG 3.74Å; I166-K188 HydrophobicContact CG1-CD 4.37Å; I166-K188 HydrophobicContact CG1-CG 3.98Å
167	V	98	Very high	94.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.1	177.9	-175.3	0	0	0	0	107.8	W123 P153 T159 E160 Y162 L183 S184 L185	W123-V167 HydrophobicContact CD2-CG2 3.75Å; W123-V167 HydrophobicContact CE3-CG2 4.26Å; W123-V167 HydrophobicContact CG-CG2 4.14Å; W123-V167 HydrophobicContact CH2-CG1 4.06Å; W123-V167 HydrophobicContact CH2-CG2 4.33Å; W123-V167 HydrophobicContact CZ2-CB 4.43Å; W123-V167 HydrophobicContact CZ2-CG1 3.8Å; W123-V167 HydrophobicContact CZ2-CG2 3.82Å; P153-V167 HydrophobicContact CG-CB 4.31Å; P153-V167 HydrophobicContact CG-CG1 4.09Å; P153-V167 WeakPolarHBondContact CG-O 3.49Å; T159-V167 WeakPolarHBondContact CA-O 3.23Å; E160-V167 PolarHBondContact N-O 3.31Å; E160-V167 PolarHBondContact O-N 3.35Å; Y162-V167 HydrophobicContact CD2-CB 4.34Å; Y162-V167 HydrophobicContact CD2-CG2 3.71Å; Y162-V167 HydrophobicContact CE2-CB 4.05Å; Y162-V167 HydrophobicContact CE2-CG2 3.82Å; V167-L183 HydrophobicContact CG1-CB 4.37Å; V167-L183 HydrophobicContact CG1-CD1 4.3Å; V167-L183 HydrophobicContact CG1-CD2 4.4Å; V167-S184 CarbonylContact C-O 3.52Å; V167-S184 WeakPolarHBondContact CA-O 3.46Å; V167-L185 HydrophobicContact CG2-CD1 3.87Å
168	K	97	Very high	94.4	Very high	92 Å²	92	51 Å²	51	40%	0.4	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.2	178.1	178.7	-179.8	178.6	-171	0	110.3	E158 L183 S184	E158-K168 CarbonylContact O-C 3.59Å; E158-K168 VanDerWaalsContact O-CA 3.27Å; E158-K168 WeakPolarHBondContact O-CA 3.09Å; K168-L183 CarbonylContact O-C 3.01Å; K168-L183 VanDerWaalsContact O-CA 3.27Å; K168-L183 WeakPolarHBondContact O-CA 3.42Å; K168-S184 PolarHBondContact N-O 2.85Å; K168-S184 PolarHBondContact O-N 3.29Å
169	L	97.4	Very high	94.8	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119	169.3	-177.5	62.5	0	0	0	108.9	P153 L155 E158 S171 E172 R181 L183	P153-L169 HydrophobicContact CB-CB 4.37Å; P153-L169 HydrophobicContact CG-CB 4.43Å; L155-L169 HydrophobicContact CD2-CD2 4.06Å; E158-L169 PolarHBondContact O-N 3.47Å; L169-S171 WeakPolarHBondContact CD1-O 3.45Å; L169-E172 HydrophobicContact CD1-CB 4.42Å; L169-R181 HydrophobicContact CD1-CB 3.95Å; L169-R181 HydrophobicContact CD1-CG 4.09Å; L169-L183 HydrophobicContact CB-CD2 4.35Å; L169-L183 HydrophobicContact CD1-CD2 3.7Å
170	T	95.6	Very high	95	Very high	94 Å²	94	43.3 Å²	43.3	58%	0.577	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96	-41	-179.8	-54.4	0	0	0	0	111.2	H182	T170-H182 WeakPolarHBondContact CA-O 3.47Å; T170-H182 WeakPolarHBondContact CB-O 3.25Å; T170-H182 PolarHBondContact N-O 2.94Å
171	S	94.9	Very high	95.1	Very high	48 Å²	48	42.3 Å²	42.3	34%	0.336	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	158	170.2	58.8	0	0	0	0	110.8	L169 R181 H182	L169-S171 WeakPolarHBondContact CD1-O 3.45Å; S171-R181 WeakPolarHBondContact O-CA 3.48Å; S171-H182 PolarHBondContact N-O 2.93Å; S171-H182 PolarHBondContact O-N 3.12Å; S171-H182 PolarHBondContact OG-CD2 2.76Å
172	E	94.8	Very high	95.1	Very high	43 Å²	43	39.9 Å²	39.9	20%	0.201	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.4	175.5	-173.1	173.5	-116.2	0	0	109.2	L155 L169 H174 T179 I180 R181	L155-E172 WeakPolarHBondContact CD1-OE2 3.5Å; L155-E172 HydrophobicContact CD2-CB 4.32Å; L155-E172 WeakPolarHBondContact CG-OE2 3.33Å; L169-E172 HydrophobicContact CD1-CB 4.42Å; E172-H174 IonicContact OE2-CD2 2.73Å; E172-H174 IonicContact OE2-CE1 3.94Å; E172-H174 PolarHBondContact OE2-CE1 2.96Å; E172-H174 IonicContact OE2-NE2 2.7Å; E172-H174 PolarHBondContact OE2-NE2 2.8Å; E172-T179 HydrophobicContact CG-CG2 3.57Å; E172-I180 CarbonylContact C-O 3.57Å; E172-I180 WeakPolarHBondContact CA-O 3.48Å; E172-R181 HydrophobicContact CB-CG 4.49Å; E172-R181 HydrophobicContact CG-CG 4Å; E172-R181 IonicContact OE1-CZ 2.76Å; E172-R181 VanDerWaalsContact OE1-CZ 3.29Å; E172-R181 IonicContact OE1-NE 3.01Å; E172-R181 PolarHBondContact OE1-NE 2.66Å; E172-R181 IonicContact OE1-NH2 3.53Å; E172-R181 PolarHBondContact OE1-NH2 3.01Å
173	E	94.1	Very high	95.3	Very high	89 Å²	89	38.2 Å²	38.2	42%	0.416	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.3	-179.6	-62.5	172.7	-119.9	0	0	108.4	T179 I180 H182	E173-T179 WeakPolarHBondContact O-CA 3.2Å; E173-I180 HydrophobicContact CB-CB 4.36Å; E173-I180 PolarHBondContact N-O 3.46Å; E173-I180 PolarHBondContact O-N 2.92Å; E173-H182 IonicContact OE1-CD2 3.42Å; E173-H182 IonicContact OE1-NE2 3.51Å; E173-H182 PolarHBondContact OE1-NE2 3.01Å
174	H	93.1	Very high	95.5	Very high	93 Å²	93	32.8 Å²	32.8	43%	0.431	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.9	178.2	-71.3	-79.3	0	0	0	110.2	E172 T179 W414	E172-H174 IonicContact OE2-CD2 2.73Å; E172-H174 IonicContact OE2-CE1 3.94Å; E172-H174 PolarHBondContact OE2-CE1 2.96Å; E172-H174 IonicContact OE2-NE2 2.7Å; E172-H174 PolarHBondContact OE2-NE2 2.8Å; H174-T179 PolarHBondContact ND1-OG1 3.45Å; H174-W414 WeakPolarHBondContact O-CH2 3.46Å
175	C	93.1	Very high	95.7	Very high	14 Å²	14	32 Å²	32	10%	0.095	17%	0.167	C	C	.	.			trans	-113.5	167.3	168.4	-61	0	0	0	0	108.9	D177 Y178	C175-D177 PolarHBondContact O-N 3.31Å; C175-Y178 CarbonylContact C-O 3.53Å; C175-Y178 WeakPolarHBondContact CA-O 3.28Å; C175-Y178 HydrophobicContact CB-CD2 3.82Å; C175-Y178 HydrophobicContact CB-CE1 4.45Å; C175-Y178 HydrophobicContact CB-CE2 3.53Å; C175-Y178 HydrophobicContact CB-CG 4.38Å; C175-Y178 VanDerWaalsContact CB-O 3.31Å; C175-Y178 WeakPolarHBondContact CB-O 3.19Å; C175-Y178 PolarHBondContact N-O 3.47Å; C175-Y178 WeakPolarHBondContact SG-CE2 3.36Å
176	P	90.3	Very high	95.8	Very high	27 Å²	27	33.8 Å²	33.8	18%	0.175	18%	0.178	C	C	.	.	S	Bend	trans	-59	-46.1	-178.2	-25.2	33.8	0	0	0	113	Y413 W414	P176-Y413 WeakPolarHBondContact CB-O 3.49Å; P176-Y413 VanDerWaalsContact CD-OH 3.25Å; P176-Y413 WeakPolarHBondContact CD-OH 3.5Å; P176-Y413 HydrophobicContact CG-CD1 3.56Å; P176-Y413 HydrophobicContact CG-CD2 3.97Å; P176-Y413 HydrophobicContact CG-CE1 3.33Å; P176-Y413 HydrophobicContact CG-CE2 3.73Å; P176-Y413 HydrophobicContact CG-CG 3.9Å; P176-Y413 VanDerWaalsContact CG-CZ 3.41Å; P176-Y413 WeakPolarHBondContact CG-O 2.94Å; P176-W414 HydrophobicContact CG-CD2 4.47Å; P176-W414 HydrophobicContact CG-CE3 4.04Å; P176-W414 HydrophobicContact CG-CZ3 4.44Å
177	D	93.1	Very high	95.6	Very high	26 Å²	26	32 Å²	32	14%	0.139	17%	0.168	C	C	.	.	S	Bend	trans	-97.8	-10.9	-172.1	-54	-69	0	0	0	114.2	C175 F202 M203 S204 K219	C175-D177 PolarHBondContact O-N 3.31Å; D177-F202 HydrophobicContact CB-CE2 4.05Å; D177-F202 VanDerWaalsContact O-CD2 3.25Å; D177-F202 WeakPolarHBondContact O-CD2 3.42Å; D177-M203 PolarHBondContact O-N 2.82Å; D177-S204 VanDerWaalsContact CA-OG 3.26Å; D177-S204 WeakPolarHBondContact CA-OG 3.25Å; D177-S204 WeakPolarHBondContact CB-OG 3.42Å; D177-S204 WeakPolarHBondContact OD1-CB 3.39Å; D177-S204 PolarHBondContact OD1-OG 3.18Å; D177-K219 IonicContact OD2-NZ 3.73Å
178	Y	96.1	Very high	95.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.6	-178	55.9	-101.9	0	0	0	113.1	C175 I180 I200 Q201 K219 R223 E569	C175-Y178 CarbonylContact C-O 3.53Å; C175-Y178 WeakPolarHBondContact CA-O 3.28Å; C175-Y178 HydrophobicContact CB-CD2 3.82Å; C175-Y178 HydrophobicContact CB-CE1 4.45Å; C175-Y178 HydrophobicContact CB-CE2 3.53Å; C175-Y178 HydrophobicContact CB-CG 4.38Å; C175-Y178 VanDerWaalsContact CB-O 3.31Å; C175-Y178 WeakPolarHBondContact CB-O 3.19Å; C175-Y178 PolarHBondContact N-O 3.47Å; C175-Y178 WeakPolarHBondContact SG-CE2 3.36Å; Y178-I180 HydrophobicContact CD2-CD1 4.09Å; Y178-I180 HydrophobicContact CD2-CG1 3.83Å; Y178-I180 HydrophobicContact CE2-CD1 3.68Å; Y178-I180 HydrophobicContact CE2-CG1 3.96Å; Y178-I200 HydrophobicContact CD2-CD1 3.96Å; Y178-I200 HydrophobicContact CD2-CG1 4.3Å; Y178-I200 HydrophobicContact CE2-CD1 4.46Å; Y178-I200 HydrophobicContact CG-CD1 4.03Å; Y178-I200 HydrophobicContact CG-CG1 4.31Å; Y178-Q201 CarbonylContact C-O 3.49Å; Y178-Q201 WeakPolarHBondContact CA-O 3.3Å; Y178-Q201 WeakPolarHBondContact CB-O 3.4Å; Y178-K219 HydrophobicContact CE1-CD 4.27Å; Y178-K219 HydrophobicContact CE1-CG 4.37Å; Y178-R223 HydrophobicContact CE1-CG 4.06Å; Y178-R223 HydrophobicContact CE2-CG 4.49Å; Y178-R223 WeakPolarHBondContact OH-CD 3.32Å; Y178-R223 PolarHBondContact OH-NE 3.02Å; Y178-E569 PolarHBondContact OH-OE1 2.76Å
179	T	97.1	Very high	94.8	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.043	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	169	-53.7	0	0	0	0	109.2	E172 E173 H174 R181 I200 Q201	E172-T179 HydrophobicContact CG-CG2 3.57Å; E173-T179 WeakPolarHBondContact O-CA 3.2Å; H174-T179 PolarHBondContact ND1-OG1 3.45Å; T179-R181 HydrophobicContact CG2-CG 4.39Å; T179-I200 WeakPolarHBondContact O-CA 3.08Å; T179-Q201 PolarHBondContact N-O 2.79Å; T179-Q201 PolarHBondContact O-N 3.33Å
180	I	97.8	Very high	94.3	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130	173.2	-59.7	170.1	0	0	0	108.5	E172 E173 Y178 T198 H199 I200 F227	E172-I180 CarbonylContact C-O 3.57Å; E172-I180 WeakPolarHBondContact CA-O 3.48Å; E173-I180 HydrophobicContact CB-CB 4.36Å; E173-I180 PolarHBondContact N-O 3.46Å; E173-I180 PolarHBondContact O-N 2.92Å; Y178-I180 HydrophobicContact CD2-CD1 4.09Å; Y178-I180 HydrophobicContact CD2-CG1 3.83Å; Y178-I180 HydrophobicContact CE2-CD1 3.68Å; Y178-I180 HydrophobicContact CE2-CG1 3.96Å; I180-T198 HydrophobicContact CG2-CG2 3.96Å; I180-H199 CarbonylContact C-O 3.51Å; I180-H199 WeakPolarHBondContact CA-O 3.4Å; I180-I200 HydrophobicContact CD1-CD1 4.29Å; I180-I200 HydrophobicContact CG1-CB 4.37Å; I180-I200 HydrophobicContact CG1-CD1 3.92Å; I180-I200 HydrophobicContact CG1-CG1 4Å; I180-F227 HydrophobicContact CD1-CE1 4.14Å; I180-F227 HydrophobicContact CD1-CZ 3.83Å; I180-F227 HydrophobicContact CG1-CZ 4.18Å; I180-F227 HydrophobicContact CG2-CZ 4.27Å
181	R	97.9	Very high	93.3	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.057	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.2	174.9	-64.3	178.4	-175.3	99.1	14.6	109	W152 L169 S171 E172 T179 L183 H199	W152-R181 VanDerWaalsContact CD1-CD 3.49Å; W152-R181 VanDerWaalsContact CE2-CZ 3.42Å; W152-R181 VanDerWaalsContact CZ2-NH1 3.26Å; W152-R181 VanDerWaalsContact NE1-NE 3.13Å; L169-R181 HydrophobicContact CD1-CB 3.95Å; L169-R181 HydrophobicContact CD1-CG 4.09Å; S171-R181 WeakPolarHBondContact O-CA 3.48Å; E172-R181 HydrophobicContact CB-CG 4.49Å; E172-R181 HydrophobicContact CG-CG 4Å; E172-R181 IonicContact OE1-CZ 2.76Å; E172-R181 VanDerWaalsContact OE1-CZ 3.29Å; E172-R181 IonicContact OE1-NE 3.01Å; E172-R181 PolarHBondContact OE1-NE 2.66Å; E172-R181 IonicContact OE1-NH2 3.53Å; E172-R181 PolarHBondContact OE1-NH2 3.01Å; T179-R181 HydrophobicContact CG2-CG 4.39Å; R181-L183 HydrophobicContact CB-CD2 4.11Å; R181-L183 HydrophobicContact CB-CG 4.28Å; R181-H199 HydrophobicContact CB-CB 4.21Å; R181-H199 PolarHBondContact N-O 2.86Å; R181-H199 PolarHBondContact NH1-CE1 3.43Å; R181-H199 PolarHBondContact O-N 3.24Å
182	H	97.3	Very high	92.1	Very high	36 Å²	36	52.1 Å²	52.1	17%	0.167	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.2	170.3	-61.1	-78.7	0	0	0	108.2	T170 S171 E173	T170-H182 WeakPolarHBondContact CA-O 3.47Å; T170-H182 WeakPolarHBondContact CB-O 3.25Å; T170-H182 PolarHBondContact N-O 2.94Å; S171-H182 PolarHBondContact N-O 2.93Å; S171-H182 PolarHBondContact O-N 3.12Å; S171-H182 PolarHBondContact OG-CD2 2.76Å; E173-H182 IonicContact OE1-CD2 3.42Å; E173-H182 IonicContact OE1-NE2 3.51Å; E173-H182 PolarHBondContact OE1-NE2 3.01Å
183	L	97.6	Very high	91.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.1	-172.6	-54.9	176	0	0	0	110	W123 W152 V167 K168 L169 R181 E196 V197 H199	W123-L183 HydrophobicContact CH2-CD1 3.69Å; W123-L183 HydrophobicContact CZ2-CD1 4.27Å; W152-L183 HydrophobicContact CB-CD1 4.41Å; V167-L183 HydrophobicContact CG1-CB 4.37Å; V167-L183 HydrophobicContact CG1-CD1 4.3Å; V167-L183 HydrophobicContact CG1-CD2 4.4Å; K168-L183 CarbonylContact O-C 3.01Å; K168-L183 VanDerWaalsContact O-CA 3.27Å; K168-L183 WeakPolarHBondContact O-CA 3.42Å; L169-L183 HydrophobicContact CB-CD2 4.35Å; L169-L183 HydrophobicContact CD1-CD2 3.7Å; R181-L183 HydrophobicContact CB-CD2 4.11Å; R181-L183 HydrophobicContact CB-CG 4.28Å; L183-E196 WeakPolarHBondContact O-CA 3.15Å; L183-V197 HydrophobicContact CB-CB 4.3Å; L183-V197 WeakPolarHBondContact CB-O 3.4Å; L183-V197 PolarHBondContact N-O 3.42Å; L183-V197 PolarHBondContact O-N 3.1Å; L183-H199 HydrophobicContact CD1-CB 3.89Å; L183-H199 HydrophobicContact CG-CB 4.49Å
184	S	96.6	Very high	91.6	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.3	165.9	156.4	0	0	0	0	109	V167 K168 E194	V167-S184 CarbonylContact C-O 3.52Å; V167-S184 WeakPolarHBondContact CA-O 3.46Å; K168-S184 PolarHBondContact N-O 2.85Å; K168-S184 PolarHBondContact O-N 3.29Å; S184-E194 VanDerWaalsContact CB-OE1 3.23Å; S184-E194 WeakPolarHBondContact CB-OE1 3.42Å; S184-E194 VanDerWaalsContact OG-CD 3.22Å; S184-E194 WeakPolarHBondContact OG-CG 3.06Å; S184-E194 PolarHBondContact OG-OE1 3.47Å
185	L	96.9	Very high	91.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	178.8	179.2	64.2	0	0	0	109.6	W123 V126 W127 F165 V167 R195 V197	W123-L185 HydrophobicContact CD2-CD1 4.24Å; W123-L185 HydrophobicContact CE3-CD1 3.76Å; W123-L185 HydrophobicContact CE3-CD2 3.91Å; W123-L185 HydrophobicContact CE3-CG 4.41Å; W123-L185 HydrophobicContact CZ3-CD1 4.35Å; W123-L185 HydrophobicContact CZ3-CD2 4.28Å; V126-L185 HydrophobicContact CB-CD2 4.47Å; V126-L185 HydrophobicContact CG1-CD2 3.93Å; W127-L185 HydrophobicContact CB-CD2 4.24Å; W127-L185 HydrophobicContact CE3-CD2 3.85Å; W127-L185 HydrophobicContact CE3-CG 3.87Å; W127-L185 HydrophobicContact CZ3-CG 4.34Å; F165-L185 HydrophobicContact CB-CD1 4.07Å; F165-L185 HydrophobicContact CD1-CD1 4.01Å; F165-L185 HydrophobicContact CG-CD1 4.39Å; V167-L185 HydrophobicContact CG2-CD1 3.87Å; L185-R195 PolarHBondContact N-O 3.3Å; L185-R195 PolarHBondContact O-N 2.98Å; L185-V197 HydrophobicContact CB-CG2 4.14Å; L185-V197 HydrophobicContact CD2-CG2 4.35Å
186	T	96	Very high	91.7	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.7	176.1	-59.9	0	0	0	0	110.7	F165 I166	F165-T186 WeakPolarHBondContact CA-O 3.41Å; I166-T186 PolarHBondContact N-O 3.34Å; I166-T186 PolarHBondContact O-N 3.31Å
187	N	93.3	Very high	92.1	Very high	11 Å²	11	57 Å²	57	6%	0.059	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117	170.6	-177.5	-14.1	0	0	0	110.3	W127 F165 R189 E190	W127-N187 HydrophobicContact CD2-CB 3.99Å; W127-N187 HydrophobicContact CE3-CB 4.36Å; W127-N187 HydrophobicContact CH2-CB 4.01Å; W127-N187 HydrophobicContact CZ2-CB 3.62Å; W127-N187 HydrophobicContact CZ3-CB 4.36Å; W127-N187 PolarHBondContact NE1-ND2 3.33Å; F165-N187 HydrophobicContact CD1-CB 4.25Å; F165-N187 HydrophobicContact CE1-CB 3.95Å; N187-R189 PolarHBondContact O-N 2.95Å; N187-R189 VanDerWaalsContact O-N 3.09Å; N187-R189 WeakPolarHBondContact OD1-CB 3.16Å; N187-R189 PolarHBondContact OD1-N 3.4Å; N187-E190 HydrophobicContact CB-CB 4.33Å; N187-E190 PolarHBondContact ND2-OE1 3.06Å; N187-E190 CarbonylContact O-C 3.37Å; N187-E190 PolarHBondContact O-N 3.16Å; N187-E190 VanDerWaalsContact O-O 3.05Å
188	K	90.4	Very high	92.3	Very high	104 Å²	104	56.3 Å²	56.3	45%	0.452	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.8	179.5	-71.4	175.4	-172.5	164.7	0	114.1	E163 E164 I166	E163-K188 PolarHBondContact O-NZ 2.89Å; E164-K188 WeakPolarHBondContact O-CB 3.37Å; E164-K188 WeakPolarHBondContact O-CG 3.24Å; E164-K188 PolarHBondContact O-N 3.27Å; I166-K188 HydrophobicContact CD1-CD 4.33Å; I166-K188 HydrophobicContact CD1-CG 3.74Å; I166-K188 HydrophobicContact CG1-CD 4.37Å; I166-K188 HydrophobicContact CG1-CG 3.98Å
189	R	86.9	Confident	92.5	Very high	140 Å²	140	56.1 Å²	56.1	53%	0.528	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-25	179.8	-54.2	-177.6	-170	-160.6	5.1	111.7	E164 N187	E164-R189 HydrophobicContact CB-CG 4.13Å; E164-R189 IonicContact OE1-NH2 2.73Å; E164-R189 IonicContact OE2-CZ 3.05Å; E164-R189 IonicContact OE2-NE 2.61Å; E164-R189 IonicContact OE2-NH2 3.78Å; E164-R189 PolarHBondContact OE2-NH2 3.13Å; N187-R189 PolarHBondContact O-N 2.95Å; N187-R189 VanDerWaalsContact O-N 3.09Å; N187-R189 WeakPolarHBondContact OD1-CB 3.16Å; N187-R189 PolarHBondContact OD1-N 3.4Å
190	E	86.6	Confident	92.5	Very high	73 Å²	73	55.8 Å²	55.8	34%	0.341	26%	0.261	S	S	.	.	S	Bend	trans	-109.4	97.3	-178.5	-67.3	179.4	-132.7	0	0	110.1	W127 N187 N192 L193	W127-E190 HydrophobicContact CZ2-CB 4.3Å; W127-E190 WeakPolarHBondContact CZ2-OE2 3.46Å; W127-E190 PolarHBondContact NE1-OE1 2.82Å; N187-E190 HydrophobicContact CB-CB 4.33Å; N187-E190 PolarHBondContact ND2-OE1 3.06Å; N187-E190 CarbonylContact O-C 3.37Å; N187-E190 PolarHBondContact O-N 3.16Å; N187-E190 VanDerWaalsContact O-O 3.05Å; E190-N192 PolarHBondContact O-N 3.46Å; E190-L193 HydrophobicContact CB-CD1 4.42Å; E190-L193 WeakPolarHBondContact OE2-CD1 3.27Å
191	K	75.1	Confident	92.6	Very high	185 Å²	185	55.6 Å²	55.6	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	135.2	-178.2	-66.8	-173.6	178.7	-177.5	0	111.2
192	N	70.3	Confident	92.6	Very high	165 Å²	165	55 Å²	55	88%	0.882	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	23.7	172.3	-50.4	-29.5	0	0	0	116.4	E190	E190-N192 PolarHBondContact O-N 3.46Å
193	L	85.4	Confident	92.4	Very high	85 Å²	85	55.7 Å²	55.7	45%	0.445	26%	0.262	S	S	.	.			trans	-115.4	113.3	170.3	-67.2	175.1	0	0	0	109.9	W127 E190	W127-L193 HydrophobicContact CH2-CB 3.75Å; W127-L193 WeakPolarHBondContact CH2-O 3.3Å; W127-L193 HydrophobicContact CZ2-CB 4.12Å; E190-L193 HydrophobicContact CB-CD1 4.42Å; E190-L193 WeakPolarHBondContact OE2-CD1 3.27Å
194	E	91.9	Very high	92.2	Very high	135 Å²	135	57.3 Å²	57.3	63%	0.631	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.6	171.9	-176.3	174.8	-170.3	0	0	107.5	S184	S184-E194 VanDerWaalsContact CB-OE1 3.23Å; S184-E194 WeakPolarHBondContact CB-OE1 3.42Å; S184-E194 VanDerWaalsContact OG-CD 3.22Å; S184-E194 WeakPolarHBondContact OG-CG 3.06Å; S184-E194 PolarHBondContact OG-OE1 3.47Å
195	R	94.3	Very high	92.1	Very high	33 Å²	33	57.1 Å²	57.1	13%	0.125	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.2	-179.7	-63	-173.7	-167.3	177.5	9.3	110.3	W127 L185 F231	W127-R195 HydrophobicContact CE3-CG 4.27Å; W127-R195 HydrophobicContact CH2-CG 4.12Å; W127-R195 HydrophobicContact CZ3-CB 4.17Å; W127-R195 HydrophobicContact CZ3-CG 3.63Å; W127-R195 PolarHBondContact O-NH1 3.37Å; L185-R195 PolarHBondContact N-O 3.3Å; L185-R195 PolarHBondContact O-N 2.98Å; R195-F231 HydrophobicContact CB-CE2 4.02Å; R195-F231 HydrophobicContact CB-CZ 4.32Å; R195-F231 HydrophobicContact CG-CE2 3.96Å; R195-F231 HydrophobicContact CG-CZ 3.92Å
196	E	95.8	Very high	91.8	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.9	172.5	-169.7	176.6	-171.6	0	0	109.8	L183	L183-E196 WeakPolarHBondContact O-CA 3.15Å
197	V	97.8	Very high	90.8	Very high	1 Å²	1	59 Å²	59	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120	176.3	179.7	0	0	0	0	108.6	V126 S132 I134 L183 L185	V126-V197 HydrophobicContact CG1-CG2 4.16Å; S132-V197 CarbonylContact O-C 3.5Å; S132-V197 WeakPolarHBondContact O-CA 3.3Å; I134-V197 HydrophobicContact CD1-CG1 3.65Å; I134-V197 HydrophobicContact CG1-CG1 3.88Å; L183-V197 HydrophobicContact CB-CB 4.3Å; L183-V197 WeakPolarHBondContact CB-O 3.4Å; L183-V197 PolarHBondContact N-O 3.42Å; L183-V197 PolarHBondContact O-N 3.1Å; L185-V197 HydrophobicContact CB-CG2 4.14Å; L185-V197 HydrophobicContact CD2-CG2 4.35Å
198	T	98.4	Very high	90.1	Very high	11 Å²	11	64.8 Å²	64.8	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.6	170.9	-53.2	0	0	0	0	109.1	S132 I133 I134 I180 F227	S132-T198 PolarHBondContact O-N 3.43Å; I133-T198 WeakPolarHBondContact CA-O 3.43Å; I134-T198 PolarHBondContact N-O 3.36Å; I180-T198 HydrophobicContact CG2-CG2 3.96Å; T198-F227 HydrophobicContact CG2-CD1 3.99Å; T198-F227 HydrophobicContact CG2-CD2 3.73Å; T198-F227 HydrophobicContact CG2-CE1 3.98Å; T198-F227 HydrophobicContact CG2-CE2 3.71Å; T198-F227 HydrophobicContact CG2-CG 3.88Å; T198-F227 HydrophobicContact CG2-CZ 3.84Å
199	H	98.6	Very high	90	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.5	177.5	168.9	-79	0	0	0	109.5	I134 Y151 I180 R181 L183	I134-H199 HydrophobicContact CB-CB 4.4Å; I134-H199 WeakPolarHBondContact O-CA 3.34Å; Y151-H199 AromaticContact CE2-CD2 3.93Å; Y151-H199 AromaticContact CZ-CD2 3.76Å; Y151-H199 AromaticContact CZ-NE2 3.56Å; Y151-H199 PolarHBondContact OH-CD2 2.94Å; Y151-H199 PolarHBondContact OH-NE2 2.73Å; I180-H199 CarbonylContact C-O 3.51Å; I180-H199 WeakPolarHBondContact CA-O 3.4Å; R181-H199 HydrophobicContact CB-CB 4.21Å; R181-H199 PolarHBondContact N-O 2.86Å; R181-H199 PolarHBondContact NH1-CE1 3.43Å; R181-H199 PolarHBondContact O-N 3.24Å; L183-H199 HydrophobicContact CD1-CB 3.89Å; L183-H199 HydrophobicContact CG-CB 4.49Å
200	I	98.7	Very high	90.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127	174.2	-175.1	163.8	0	0	0	110.1	I134 V135 M136 Y178 T179 I180 L220 R223 V224 F227	I134-I200 PolarHBondContact O-N 2.84Å; V135-I200 HydrophobicContact CB-CG2 4.36Å; V135-I200 HydrophobicContact CG1-CG2 4.32Å; V135-I200 HydrophobicContact CG2-CG2 4.05Å; M136-I200 PolarHBondContact N-O 3.11Å; Y178-I200 HydrophobicContact CD2-CD1 3.96Å; Y178-I200 HydrophobicContact CD2-CG1 4.3Å; Y178-I200 HydrophobicContact CE2-CD1 4.46Å; Y178-I200 HydrophobicContact CG-CD1 4.03Å; Y178-I200 HydrophobicContact CG-CG1 4.31Å; T179-I200 WeakPolarHBondContact O-CA 3.08Å; I180-I200 HydrophobicContact CD1-CD1 4.29Å; I180-I200 HydrophobicContact CG1-CB 4.37Å; I180-I200 HydrophobicContact CG1-CD1 3.92Å; I180-I200 HydrophobicContact CG1-CG1 4Å; I200-L220 HydrophobicContact CD1-CD1 3.55Å; I200-L220 HydrophobicContact CG1-CD1 3.87Å; I200-L220 HydrophobicContact CG2-CD1 4.34Å; I200-R223 HydrophobicContact CD1-CB 3.91Å; I200-V224 HydrophobicContact CG2-CG2 3.78Å; I200-F227 HydrophobicContact CB-CE2 4Å; I200-F227 HydrophobicContact CB-CZ 4.36Å; I200-F227 HydrophobicContact CD1-CE2 4.2Å; I200-F227 HydrophobicContact CD1-CZ 4.05Å; I200-F227 HydrophobicContact CG2-CE2 3.94Å
201	Q	98.6	Very high	90.6	Very high	8 Å²	8	54 Å²	54	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.7	178.1	-172	175.6	6	0	0	110.3	M136 T138 Y178 T179 M203	M136-Q201 HydrophobicContact CB-CB 4.33Å; M136-Q201 HydrophobicContact CB-CG 4.21Å; M136-Q201 HydrophobicContact CG-CG 3.92Å; M136-Q201 CarbonylContact O-C 3.54Å; M136-Q201 VanDerWaalsContact O-CA 3.29Å; M136-Q201 WeakPolarHBondContact O-CA 3.42Å; M136-Q201 HydrophobicContact SD-CG 3.87Å; T138-Q201 PolarHBondContact O-NE2 3.11Å; T138-Q201 VanDerWaalsContact O-NE2 3.09Å; Y178-Q201 CarbonylContact C-O 3.49Å; Y178-Q201 WeakPolarHBondContact CA-O 3.3Å; Y178-Q201 WeakPolarHBondContact CB-O 3.4Å; T179-Q201 PolarHBondContact N-O 2.79Å; T179-Q201 PolarHBondContact O-N 3.33Å; Q201-M203 VanDerWaalsContact CD-SD 3.57Å; Q201-M203 HydrophobicContact CG-SD 3.66Å
202	F	98	Very high	91	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.1	174	-172	-109.6	0	0	0	110.7	M136 V137 D177 W205 P211 L216 L217 L220	M136-F202 PolarHBondContact O-N 2.84Å; V137-F202 HydrophobicContact CG1-CB 4.1Å; D177-F202 HydrophobicContact CB-CE2 4.05Å; D177-F202 VanDerWaalsContact O-CD2 3.25Å; D177-F202 WeakPolarHBondContact O-CD2 3.42Å; F202-W205 HydrophobicContact CD1-CB 3.96Å; F202-W205 HydrophobicContact CD1-CE3 4.22Å; F202-W205 HydrophobicContact CE1-CB 3.9Å; F202-W205 HydrophobicContact CE1-CE3 4.16Å; F202-P211 HydrophobicContact CE1-CG 4.1Å; F202-P211 HydrophobicContact CZ-CG 4.47Å; F202-L216 HydrophobicContact CE2-CB 4.1Å; F202-L216 HydrophobicContact CZ-CB 3.89Å; F202-L217 HydrophobicContact CD1-CD2 4.34Å; F202-L217 HydrophobicContact CE1-CD2 3.95Å; F202-L217 HydrophobicContact CZ-CD2 4.08Å; F202-L220 HydrophobicContact CB-CD1 4.38Å; F202-L220 HydrophobicContact CB-CD2 3.89Å; F202-L220 HydrophobicContact CD2-CB 4.31Å; F202-L220 HydrophobicContact CD2-CD1 4.42Å; F202-L220 HydrophobicContact CD2-CD2 4.03Å; F202-L220 HydrophobicContact CD2-CG 4.49Å; F202-L220 HydrophobicContact CG-CD2 3.97Å
203	M	94.4	Very high	91.9	Very high	51 Å²	51	42.3 Å²	42.3	25%	0.251	24%	0.241	S	C	.	.			trans	-106.8	-17.1	-170.3	-62.1	-58.9	-72.4	0	0	113.5	R139 D177 Q201 W205	R139-M203 HydrophobicContact CG-CE 3.91Å; R139-M203 HydrophobicContact CG-SD 4.21Å; R139-M203 PolarHBondContact NE-O 2.82Å; R139-M203 PolarHBondContact NH2-O 3.22Å; D177-M203 PolarHBondContact O-N 2.82Å; Q201-M203 VanDerWaalsContact CD-SD 3.57Å; Q201-M203 HydrophobicContact CG-SD 3.66Å; M203-W205 VanDerWaalsContact C-N 3.35Å; M203-W205 PolarHBondContact O-N 2.75Å
204	S	93.1	Very high	92.3	Very high	34 Å²	34	39 Å²	39	24%	0.238	23%	0.225	C	C	.	.			trans	-94.3	25.4	-176.2	-63	0	0	0	0	113.9	D177	D177-S204 VanDerWaalsContact CA-OG 3.26Å; D177-S204 WeakPolarHBondContact CA-OG 3.25Å; D177-S204 WeakPolarHBondContact CB-OG 3.42Å; D177-S204 WeakPolarHBondContact OD1-CB 3.39Å; D177-S204 PolarHBondContact OD1-OG 3.18Å
205	W	94.6	Very high	92.3	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.023	20%	0.199	C	C	.	.			trans	-97.9	118.3	167.5	-154.1	-49.6	0	0	0	109.8	F202 M203 G209 V210 P211 L217 R245 T248 Q287 L290	F202-W205 HydrophobicContact CD1-CB 3.96Å; F202-W205 HydrophobicContact CD1-CE3 4.22Å; F202-W205 HydrophobicContact CE1-CB 3.9Å; F202-W205 HydrophobicContact CE1-CE3 4.16Å; M203-W205 VanDerWaalsContact C-N 3.35Å; M203-W205 PolarHBondContact O-N 2.75Å; W205-G209 PolarHBondContact NE1-O 2.89Å; W205-V210 HydrophobicContact CZ2-CG1 4.3Å; W205-P211 HydrophobicContact CB-CG 4.47Å; W205-P211 HydrophobicContact CD2-CG 3.96Å; W205-P211 HydrophobicContact CE3-CG 4.21Å; W205-P211 HydrophobicContact CG-CG 4.1Å; W205-L217 HydrophobicContact CE3-CD2 4.1Å; W205-L217 HydrophobicContact CH2-CD1 4.09Å; W205-L217 HydrophobicContact CZ3-CD1 3.81Å; W205-L217 HydrophobicContact CZ3-CD2 3.82Å; W205-L217 HydrophobicContact CZ3-CG 4.46Å; W205-R245 HydrophobicContact CD2-CB 4.15Å; W205-R245 VanDerWaalsContact CD2-CD 3.42Å; W205-R245 HydrophobicContact CD2-CG 3.66Å; W205-R245 VanDerWaalsContact CE2-CG 3.48Å; W205-R245 HydrophobicContact CE3-CB 3.97Å; W205-R245 HydrophobicContact CE3-CG 4.02Å; W205-R245 VanDerWaalsContact CG-CD 3.46Å; W205-R245 HydrophobicContact CG-CG 4.19Å; W205-R245 VanDerWaalsContact CG-NE 3.33Å; W205-R245 HydrophobicContact CH2-CB 3.95Å; W205-R245 HydrophobicContact CH2-CG 4.09Å; W205-R245 HydrophobicContact CZ2-CB 4.13Å; W205-R245 HydrophobicContact CZ2-CG 3.73Å; W205-R245 HydrophobicContact CZ3-CB 3.86Å; W205-R245 HydrophobicContact CZ3-CG 4.21Å; W205-T248 HydrophobicContact CH2-CG2 3.76Å; W205-Q287 HydrophobicContact CZ2-CG 4.14Å; W205-L290 HydrophobicContact CH2-CD2 4Å; W205-L290 HydrophobicContact CZ2-CD2 4.14Å
206	P	89.4	Confident	92.3	Very high	29 Å²	29	33.5 Å²	33.5	19%	0.188	20%	0.201	C	C	.	.			trans	-68	157.9	-179.8	28.3	-36.1	0	0	0	112.8	H208 R245	P206-H208 VanDerWaalsContact C-N 3.3Å; P206-H208 VanDerWaalsContact CB-O 3.31Å; P206-H208 WeakPolarHBondContact CB-O 3.3Å; P206-H208 WeakPolarHBondContact CG-O 3.28Å; P206-H208 PolarHBondContact O-N 3Å; P206-R245 PolarHBondContact O-NH2 3.4Å
207	D	75.6	Confident	92.4	Very high	52 Å²	52	28.1 Å²	28.1	28%	0.278	18%	0.176	S	C	.	.	S	Bend	trans	-62.1	-41.5	176.2	-166.6	12.2	0	0	0	110.8	E142 G143 K147	E142-D207 HydrophobicContact CB-CB 3.97Å; G143-D207 PolarHBondContact N-OD2 3.2Å; K147-D207 IonicContact NZ-OD1 2.64Å; K147-D207 PolarHBondContact NZ-OD1 3.23Å
208	H	77.4	Confident	92.3	Very high	132 Å²	132	28.4 Å²	28.4	61%	0.611	18%	0.177	S	C	*	.	S	Bend	trans	-106.1	138.3	174.4	-61.4	-70.3	0	0	0	111	P206	P206-H208 VanDerWaalsContact C-N 3.3Å; P206-H208 VanDerWaalsContact CB-O 3.31Å; P206-H208 WeakPolarHBondContact CB-O 3.3Å; P206-H208 WeakPolarHBondContact CG-O 3.28Å; P206-H208 PolarHBondContact O-N 3Å
209	G	90.1	Very high	92.2	Very high	50 Å²	50	28.9 Å²	28.9	52%	0.515	18%	0.179	S	C	.	.	S	Bend	trans	78.4	-143.3	176.4	0	0	0	0	0	115.8	W205	W205-G209 PolarHBondContact NE1-O 2.89Å
210	V	93.8	Very high	92.2	Very high	35 Å²	35	28.9 Å²	28.9	21%	0.212	18%	0.179	C	C	.	.			trans	-137.6	156.7	-173.6	-68	0	0	0	0	110.3	W205 G212 A286 Q287 L290	W205-V210 HydrophobicContact CZ2-CG1 4.3Å; V210-G212 PolarHBondContact O-N 3.19Å; V210-A286 HydrophobicContact CG1-CB 3.97Å; V210-A286 HydrophobicContact CG2-CB 4.38Å; V210-Q287 HydrophobicContact CG1-CG 3.98Å; V210-L290 HydrophobicContact CB-CD2 3.96Å; V210-L290 HydrophobicContact CG1-CB 4.44Å; V210-L290 HydrophobicContact CG1-CD2 4.1Å
211	P	91.5	Very high	92.1	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.026	18%	0.182	C	C	.	.			trans	-52.7	132.1	173.7	-24.7	32.5	0	0	0	111.7	F202 W205 E213	F202-P211 HydrophobicContact CE1-CG 4.1Å; F202-P211 HydrophobicContact CZ-CG 4.47Å; W205-P211 HydrophobicContact CB-CG 4.47Å; W205-P211 HydrophobicContact CD2-CG 3.96Å; W205-P211 HydrophobicContact CE3-CG 4.21Å; W205-P211 HydrophobicContact CG-CG 4.1Å; P211-E213 PolarHBondContact O-N 2.66Å
212	G	83.8	Confident	92	Very high	65 Å²	65	31 Å²	31	67%	0.67	19%	0.186	S	C	*	.	S	Bend	trans	-67.5	-19.7	-178.9	0	0	0	0	0	114.6	V210	V210-G212 PolarHBondContact O-N 3.19Å
213	E	89.8	Confident	92	Very high	40 Å²	40	32 Å²	32	19%	0.187	19%	0.19	C	C	.	.			trans	-117.1	109.1	176.5	-59.8	-54.4	152.9	0	0	111	P211 H215 L216 K583	P211-E213 PolarHBondContact O-N 2.66Å; E213-H215 PolarHBondContact O-N 2.96Å; E213-H215 VanDerWaalsContact O-N 3.15Å; E213-L216 HydrophobicContact CB-CD1 4.31Å; E213-L216 HydrophobicContact CB-CG 4.08Å; E213-L216 WeakPolarHBondContact O-CG 3.33Å; E213-L216 PolarHBondContact O-N 2.73Å; E213-L216 VanDerWaalsContact O-N 3.15Å; E213-K583 IonicContact OE1-NZ 3.56Å; E213-K583 PolarHBondContact OE1-NZ 3.41Å; E213-K583 IonicContact OE2-NZ 3Å; E213-K583 PolarHBondContact OE2-NZ 3.33Å
214	P	92.4	Very high	92.1	Very high	17 Å²	17	29.6 Å²	29.6	11%	0.11	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.2	179	-25	33.1	0	0	0	114	L216 L217 L290 Q293 A294 E297	P214-L216 PolarHBondContact O-N 3.42Å; P214-L217 PolarHBondContact O-N 3.09Å; P214-L290 HydrophobicContact CB-CD1 4.34Å; P214-L290 HydrophobicContact CG-CD1 4.29Å; P214-Q293 HydrophobicContact CB-CB 4.11Å; P214-Q293 HydrophobicContact CG-CB 3.68Å; P214-A294 HydrophobicContact CB-CB 4.32Å; P214-E297 HydrophobicContact CB-CB 4.45Å
215	H	92.8	Very high	92.2	Very high	18 Å²	18	31.5 Å²	31.5	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-28	178.1	-178.9	88.5	0	0	0	113	E213 L217 L218 K219 R222 E297 D573 Q576	E213-H215 PolarHBondContact O-N 2.96Å; E213-H215 VanDerWaalsContact O-N 3.15Å; H215-L217 VanDerWaalsContact C-N 3.28Å; H215-L217 PolarHBondContact O-N 2.81Å; H215-L218 CarbonylContact O-C 3.57Å; H215-L218 WeakPolarHBondContact O-CB 3.15Å; H215-L218 PolarHBondContact O-N 3.47Å; H215-L218 VanDerWaalsContact O-N 3.11Å; H215-K219 PolarHBondContact O-N 3.2Å; H215-R222 PolarHBondContact CE1-NH1 3.1Å; H215-R222 PolarHBondContact CE1-NH2 3.24Å; H215-R222 VanDerWaalsContact CE1-NH2 3.26Å; H215-R222 PolarHBondContact NE2-NH2 3.49Å; H215-E297 HydrophobicContact CB-CG 4.33Å; H215-D573 IonicContact CE1-OD2 3.23Å; H215-D573 IonicContact NE2-OD2 3.06Å; H215-Q576 PolarHBondContact ND1-NE2 3.1Å
216	L	94.4	Very high	92.2	Very high	34 Å²	34	35 Å²	35	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-35.7	-179.6	-61.5	-179.5	0	0	0	112.6	F202 E213 P214 K219 L220	F202-L216 HydrophobicContact CE2-CB 4.1Å; F202-L216 HydrophobicContact CZ-CB 3.89Å; E213-L216 HydrophobicContact CB-CD1 4.31Å; E213-L216 HydrophobicContact CB-CG 4.08Å; E213-L216 WeakPolarHBondContact O-CG 3.33Å; E213-L216 PolarHBondContact O-N 2.73Å; E213-L216 VanDerWaalsContact O-N 3.15Å; P214-L216 PolarHBondContact O-N 3.42Å; L216-K219 PolarHBondContact O-N 2.8Å; L216-L220 PolarHBondContact O-N 2.79Å
217	L	96.8	Very high	92.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-76.5	-30.7	175.9	-67.5	179.1	0	0	0	112.3	F202 W205 P214 H215 K219 L220 R221 I252 L290	F202-L217 HydrophobicContact CD1-CD2 4.34Å; F202-L217 HydrophobicContact CE1-CD2 3.95Å; F202-L217 HydrophobicContact CZ-CD2 4.08Å; W205-L217 HydrophobicContact CE3-CD2 4.1Å; W205-L217 HydrophobicContact CH2-CD1 4.09Å; W205-L217 HydrophobicContact CZ3-CD1 3.81Å; W205-L217 HydrophobicContact CZ3-CD2 3.82Å; W205-L217 HydrophobicContact CZ3-CG 4.46Å; P214-L217 PolarHBondContact O-N 3.09Å; H215-L217 VanDerWaalsContact C-N 3.28Å; H215-L217 PolarHBondContact O-N 2.81Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-L220 HydrophobicContact CD2-CD2 4.22Å; L217-L220 PolarHBondContact O-N 3.18Å; L217-R221 WeakPolarHBondContact O-CB 3.4Å; L217-R221 PolarHBondContact O-N 3.35Å; L217-I252 HydrophobicContact CB-CD1 3.86Å; L217-I252 HydrophobicContact CD1-CD1 3.46Å; L217-I252 VanDerWaalsContact CD1-CD1 3.46Å; L217-I252 HydrophobicContact CG-CD1 4.3Å; L217-L290 HydrophobicContact CD1-CD2 3.43Å; L217-L290 VanDerWaalsContact CD1-CD2 3.43Å; L217-L290 HydrophobicContact CD1-CG 4.15Å
218	L	97.1	Very high	93.1	Very high	7 Å²	7	41 Å²	41	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-40.8	169.5	-61.3	176.3	0	0	0	110.9	H215 R221 R222 I252 M256 A294 E297 H298	H215-L218 CarbonylContact O-C 3.57Å; H215-L218 WeakPolarHBondContact O-CB 3.15Å; H215-L218 PolarHBondContact O-N 3.47Å; H215-L218 VanDerWaalsContact O-N 3.11Å; L218-R221 WeakPolarHBondContact O-CB 3.43Å; L218-R221 PolarHBondContact O-N 3.12Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.83Å; L218-I252 HydrophobicContact CD2-CG2 4.16Å; L218-M256 HydrophobicContact CD2-CG 4.2Å; L218-M256 HydrophobicContact CD2-SD 3.92Å; L218-A294 HydrophobicContact CD2-CB 4.26Å; L218-A294 HydrophobicContact CG-CB 4.45Å; L218-E297 HydrophobicContact CD1-CB 4.17Å; L218-E297 HydrophobicContact CD1-CG 3.85Å; L218-H298 HydrophobicContact CD1-CB 3.96Å; L218-H298 HydrophobicContact CD2-CB 4.38Å
219	K	96.1	Very high	93.6	Very high	21 Å²	21	37.2 Å²	37.2	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-48.2	173.7	-172.9	-179	-177.9	-176.2	0	111	D177 Y178 H215 L216 L217 R221 R222 R223 E569	D177-K219 IonicContact OD2-NZ 3.73Å; Y178-K219 HydrophobicContact CE1-CD 4.27Å; Y178-K219 HydrophobicContact CE1-CG 4.37Å; H215-K219 PolarHBondContact O-N 3.2Å; L216-K219 PolarHBondContact O-N 2.8Å; L217-K219 VanDerWaalsContact C-N 3.35Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.46Å; K219-R222 PolarHBondContact O-N 2.88Å; K219-R223 VanDerWaalsContact CE-NH2 3.34Å; K219-R223 WeakPolarHBondContact O-CG 3.35Å; K219-R223 PolarHBondContact O-N 2.76Å; K219-E569 WeakPolarHBondContact CE-OE1 3.3Å; K219-E569 WeakPolarHBondContact CE-OE2 3.44Å; K219-E569 IonicContact NZ-OE1 3.53Å; K219-E569 PolarHBondContact NZ-OE1 3.44Å; K219-E569 IonicContact NZ-OE2 3.29Å; K219-E569 PolarHBondContact NZ-OE2 2.95Å
220	L	97.7	Very high	93	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-47.6	174.3	178.3	64	0	0	0	111.5	V135 V137 I200 F202 L216 L217 R222 R223 V224 Y249	V135-L220 HydrophobicContact CG1-CD2 4.36Å; V137-L220 HydrophobicContact CG1-CD2 3.84Å; I200-L220 HydrophobicContact CD1-CD1 3.55Å; I200-L220 HydrophobicContact CG1-CD1 3.87Å; I200-L220 HydrophobicContact CG2-CD1 4.34Å; F202-L220 HydrophobicContact CB-CD1 4.38Å; F202-L220 HydrophobicContact CB-CD2 3.89Å; F202-L220 HydrophobicContact CD2-CB 4.31Å; F202-L220 HydrophobicContact CD2-CD1 4.42Å; F202-L220 HydrophobicContact CD2-CD2 4.03Å; F202-L220 HydrophobicContact CD2-CG 4.49Å; F202-L220 HydrophobicContact CG-CD2 3.97Å; L216-L220 PolarHBondContact O-N 2.79Å; L217-L220 HydrophobicContact CD2-CD2 4.22Å; L217-L220 PolarHBondContact O-N 3.18Å; L220-R222 PolarHBondContact O-N 2.85Å; L220-R223 PolarHBondContact O-N 3.37Å; L220-V224 HydrophobicContact CD1-CG2 4.36Å; L220-V224 WeakPolarHBondContact O-CG2 2.93Å; L220-V224 PolarHBondContact O-N 3.44Å; L220-Y249 HydrophobicContact CD2-CD2 3.75Å; L220-Y249 HydrophobicContact CD2-CE2 3.88Å; L220-Y249 HydrophobicContact CG-CD2 4.29Å; L220-Y249 HydrophobicContact CG-CE2 3.91Å
221	R	97.6	Very high	92.3	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-49.4	175.5	179.4	-170.4	178.6	-113.9	5.9	111.5	L217 L218 K219 R223 V224 N225 D253 M256 E260	L217-R221 WeakPolarHBondContact O-CB 3.4Å; L217-R221 PolarHBondContact O-N 3.35Å; L218-R221 WeakPolarHBondContact O-CB 3.43Å; L218-R221 PolarHBondContact O-N 3.12Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.46Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.01Å; R221-V224 PolarHBondContact O-N 3.26Å; R221-N225 PolarHBondContact NE-ND2 2.86Å; R221-N225 WeakPolarHBondContact O-CB 3.4Å; R221-N225 PolarHBondContact O-N 2.81Å; R221-D253 WeakPolarHBondContact CD-OD1 3.49Å; R221-D253 WeakPolarHBondContact CG-OD1 3.46Å; R221-D253 IonicContact CZ-OD1 3.94Å; R221-D253 IonicContact NE-OD1 3.57Å; R221-D253 PolarHBondContact NE-OD1 2.82Å; R221-D253 IonicContact NH2-OD1 3.74Å; R221-M256 VanDerWaalsContact CZ-CB 3.46Å; R221-E260 IonicContact CZ-OE1 2.87Å; R221-E260 IonicContact NH1-OE1 2.94Å; R221-E260 PolarHBondContact NH1-OE1 3.1Å; R221-E260 IonicContact NH2-OE1 2.77Å; R221-E260 PolarHBondContact NH2-OE1 3.06Å; R221-E260 IonicContact NH2-OE2 3.8Å; R221-E260 PolarHBondContact NH2-OE2 3.14Å; R221-E260 VanDerWaalsContact NH2-OE2 3.1Å
222	R	96.1	Very high	92.1	Very high	33 Å²	33	45.2 Å²	45.2	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-44	179.1	-71.7	-168.5	-58.5	-84.1	4.8	111.9	H215 L218 K219 L220 N225 A226 E303 E305	H215-R222 PolarHBondContact CE1-NH1 3.1Å; H215-R222 PolarHBondContact CE1-NH2 3.24Å; H215-R222 VanDerWaalsContact CE1-NH2 3.26Å; H215-R222 PolarHBondContact NE2-NH2 3.49Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.83Å; K219-R222 PolarHBondContact O-N 2.88Å; L220-R222 PolarHBondContact O-N 2.85Å; R222-N225 PolarHBondContact O-N 3.1Å; R222-A226 WeakPolarHBondContact O-CB 3.16Å; R222-A226 PolarHBondContact O-N 3.12Å; R222-E303 WeakPolarHBondContact CD-OE1 3.01Å; R222-E305 IonicContact CZ-OE1 2.72Å; R222-E305 IonicContact NE-OE1 2.81Å; R222-E305 PolarHBondContact NE-OE1 2.8Å; R222-E305 IonicContact NH2-OE1 2.66Å; R222-E305 IonicContact NH2-OE2 2.87Å
223	R	96.8	Very high	92.7	Very high	23 Å²	23	42.6 Å²	42.6	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-46.6	176.6	-60.7	-58.9	175.1	-96.4	-8.1	111.9	Y178 I200 K219 L220 R221 N225 A226 F227 E305 E569	Y178-R223 HydrophobicContact CE1-CG 4.06Å; Y178-R223 HydrophobicContact CE2-CG 4.49Å; Y178-R223 WeakPolarHBondContact OH-CD 3.32Å; Y178-R223 PolarHBondContact OH-NE 3.02Å; I200-R223 HydrophobicContact CD1-CB 3.91Å; K219-R223 VanDerWaalsContact CE-NH2 3.34Å; K219-R223 WeakPolarHBondContact O-CG 3.35Å; K219-R223 PolarHBondContact O-N 2.76Å; L220-R223 PolarHBondContact O-N 3.37Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.01Å; R223-N225 VanDerWaalsContact C-N 3.35Å; R223-N225 PolarHBondContact O-N 3.34Å; R223-A226 PolarHBondContact O-N 3.06Å; R223-F227 HydrophobicContact CB-CZ 4.27Å; R223-F227 WeakPolarHBondContact O-CD1 3.49Å; R223-F227 WeakPolarHBondContact O-CE1 3.34Å; R223-F227 WeakPolarHBondContact O-CG 3.38Å; R223-F227 PolarHBondContact O-N 3.01Å; R223-E305 IonicContact CZ-OE1 3.48Å; R223-E305 IonicContact CZ-OE2 2.75Å; R223-E305 IonicContact NH1-OE1 2.8Å; R223-E305 PolarHBondContact NH1-OE1 3.43Å; R223-E305 IonicContact NH1-OE2 2.72Å; R223-E305 IonicContact NH2-OE1 3.58Å; R223-E305 PolarHBondContact NH2-OE1 2.86Å; R223-E305 IonicContact NH2-OE2 3.48Å; R223-E305 PolarHBondContact NH2-OE2 3.44Å; R223-E569 IonicContact CZ-OE1 2.65Å; R223-E569 IonicContact NE-OE1 3.68Å; R223-E569 PolarHBondContact NE-OE1 2.89Å; R223-E569 IonicContact NH2-OE1 3.85Å; R223-E569 PolarHBondContact NH2-OE1 2.83Å
224	V	97.6	Very high	93.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-44.8	178.2	172.3	0	0	0	0	111.6	I133 V135 I200 L220 R221 A226 F227 I235 Y249	I133-V224 HydrophobicContact CG2-CG1 4.22Å; V135-V224 HydrophobicContact CG1-CG2 4.41Å; V135-V224 HydrophobicContact CG2-CG1 4.01Å; V135-V224 HydrophobicContact CG2-CG2 3.62Å; I200-V224 HydrophobicContact CG2-CG2 3.78Å; L220-V224 HydrophobicContact CD1-CG2 4.36Å; L220-V224 WeakPolarHBondContact O-CG2 2.93Å; L220-V224 PolarHBondContact O-N 3.44Å; R221-V224 PolarHBondContact O-N 3.26Å; V224-A226 VanDerWaalsContact C-N 3.25Å; V224-A226 PolarHBondContact O-N 2.65Å; V224-F227 HydrophobicContact CG2-CE2 4.39Å; V224-F227 WeakPolarHBondContact O-CB 3.27Å; V224-F227 PolarHBondContact O-N 3.26Å; V224-F227 VanDerWaalsContact O-N 3.15Å; V224-I235 HydrophobicContact CG1-CD1 4.19Å; V224-Y249 VanDerWaalsContact CB-OH 3.29Å; V224-Y249 WeakPolarHBondContact CB-OH 3.47Å; V224-Y249 VanDerWaalsContact CG1-OH 3.27Å; V224-Y249 WeakPolarHBondContact CG1-OH 3.31Å; V224-Y249 WeakPolarHBondContact CG2-OH 3.36Å
225	N	94.9	Very high	93.4	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-21.1	-179	-69.1	-5	0	0	0	113.1	R221 R222 R223 F227	R221-N225 PolarHBondContact NE-ND2 2.86Å; R221-N225 WeakPolarHBondContact O-CB 3.4Å; R221-N225 PolarHBondContact O-N 2.81Å; R222-N225 PolarHBondContact O-N 3.1Å; R223-N225 VanDerWaalsContact C-N 3.35Å; R223-N225 PolarHBondContact O-N 3.34Å; N225-F227 VanDerWaalsContact C-N 3.35Å
226	A	94.4	Very high	93.7	Very high	80 Å²	80	40.4 Å²	40.4	66%	0.661	22%	0.221	S	C	*	.	H	α-helix	trans	-79.6	-15	173.8	0	0	0	0	0	113.4	R222 R223 V224	R222-A226 WeakPolarHBondContact O-CB 3.16Å; R222-A226 PolarHBondContact O-N 3.12Å; R223-A226 PolarHBondContact O-N 3.06Å; V224-A226 VanDerWaalsContact C-N 3.25Å; V224-A226 PolarHBondContact O-N 2.65Å
227	F	95.2	Very high	93.9	Very high	38 Å²	38	38.8 Å²	38.8	17%	0.167	21%	0.212	C	C	.	.	S	Bend	trans	-74.1	150.1	179.3	-59.3	-31.7	0	0	0	112.3	I133 I180 T198 I200 R223 V224 N225 N229	I133-F227 HydrophobicContact CD1-CB 3.83Å; I133-F227 HydrophobicContact CG1-CB 4.2Å; I133-F227 HydrophobicContact CG2-CD2 4.14Å; I180-F227 HydrophobicContact CD1-CE1 4.14Å; I180-F227 HydrophobicContact CD1-CZ 3.83Å; I180-F227 HydrophobicContact CG1-CZ 4.18Å; I180-F227 HydrophobicContact CG2-CZ 4.27Å; T198-F227 HydrophobicContact CG2-CD1 3.99Å; T198-F227 HydrophobicContact CG2-CD2 3.73Å; T198-F227 HydrophobicContact CG2-CE1 3.98Å; T198-F227 HydrophobicContact CG2-CE2 3.71Å; T198-F227 HydrophobicContact CG2-CG 3.88Å; T198-F227 HydrophobicContact CG2-CZ 3.84Å; I200-F227 HydrophobicContact CB-CE2 4Å; I200-F227 HydrophobicContact CB-CZ 4.36Å; I200-F227 HydrophobicContact CD1-CE2 4.2Å; I200-F227 HydrophobicContact CD1-CZ 4.05Å; I200-F227 HydrophobicContact CG2-CE2 3.94Å; R223-F227 HydrophobicContact CB-CZ 4.27Å; R223-F227 WeakPolarHBondContact O-CD1 3.49Å; R223-F227 WeakPolarHBondContact O-CE1 3.34Å; R223-F227 WeakPolarHBondContact O-CG 3.38Å; R223-F227 PolarHBondContact O-N 3.01Å; V224-F227 HydrophobicContact CG2-CE2 4.39Å; V224-F227 WeakPolarHBondContact O-CB 3.27Å; V224-F227 PolarHBondContact O-N 3.26Å; V224-F227 VanDerWaalsContact O-N 3.15Å; N225-F227 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.5Å
228	K	88.5	Confident	94	Very high	169 Å²	169	38.7 Å²	38.7	74%	0.735	21%	0.212	S	C	*	.			trans	-77.1	111.3	176.7	-67.5	-179.7	-178.6	173.4	0	110.1	V230	K228-V230 VanDerWaalsContact C-N 3.29Å; K228-V230 HydrophobicContact CB-CG2 4.05Å; K228-V230 PolarHBondContact O-N 3.05Å; K228-V230 VanDerWaalsContact O-N 3.09Å
229	N	87.6	Confident	94	Very high	53 Å²	53	38.8 Å²	38.8	28%	0.283	21%	0.213	S	C	.	.			trans	-83.8	73.4	167.8	-168.2	3.5	0	0	0	110.9	I133 F227 F231 S232 G233	I133-N229 HydrophobicContact CD1-CB 4.13Å; F227-N229 PolarHBondContact O-N 3.5Å; N229-F231 VanDerWaalsContact C-N 3.26Å; N229-F231 PolarHBondContact O-N 2.96Å; N229-F231 VanDerWaalsContact O-N 3.17Å; N229-S232 PolarHBondContact O-N 2.97Å; N229-S232 VanDerWaalsContact O-N 3.1Å; N229-S232 PolarHBondContact OD1-N 3.42Å; N229-G233 PolarHBondContact ND2-O 3.01Å; N229-G233 PolarHBondContact OD1-N 3.05Å; N229-G233 PolarHBondContact OD1-O 2.89Å
230	V	77.7	Confident	94.1	Very high	83 Å²	83	38.4 Å²	38.4	50%	0.503	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.3	-167.5	179.7	0	0	0	0	113.4	K228	K228-V230 VanDerWaalsContact C-N 3.29Å; K228-V230 HydrophobicContact CB-CG2 4.05Å; K228-V230 PolarHBondContact O-N 3.05Å; K228-V230 VanDerWaalsContact O-N 3.09Å
231	F	79.4	Confident	94.1	Very high	74 Å²	74	38.9 Å²	38.9	33%	0.325	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	3.5	-175.8	-53.3	-67	0	0	0	113.5	Q130 S132 R195 N229 G233	Q130-F231 HydrophobicContact CB-CB 3.74Å; Q130-F231 HydrophobicContact CB-CG 4.25Å; Q130-F231 WeakPolarHBondContact O-CB 3.2Å; S132-F231 WeakPolarHBondContact OG-CD2 3.36Å; R195-F231 HydrophobicContact CB-CE2 4.02Å; R195-F231 HydrophobicContact CB-CZ 4.32Å; R195-F231 HydrophobicContact CG-CE2 3.96Å; R195-F231 HydrophobicContact CG-CZ 3.92Å; N229-F231 VanDerWaalsContact C-N 3.26Å; N229-F231 PolarHBondContact O-N 2.96Å; N229-F231 VanDerWaalsContact O-N 3.17Å; F231-G233 PolarHBondContact O-N 3.36Å; F231-G233 VanDerWaalsContact O-N 3.08Å
232	S	88.6	Confident	94.2	Very high	100 Å²	100	37.9 Å²	37.9	70%	0.699	21%	0.213	S	C	*	.			trans	51.5	28.8	-172.4	-51.8	0	0	0	0	113	N229	N229-S232 PolarHBondContact O-N 2.97Å; N229-S232 VanDerWaalsContact O-N 3.1Å; N229-S232 PolarHBondContact OD1-N 3.42Å
233	G	95.1	Very high	94.3	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-75.6	164.7	174	0	0	0	0	0	111.1	N229 F231	N229-G233 PolarHBondContact ND2-O 3.01Å; N229-G233 PolarHBondContact OD1-N 3.05Å; N229-G233 PolarHBondContact OD1-O 2.89Å; F231-G233 PolarHBondContact O-N 3.36Å; F231-G233 VanDerWaalsContact O-N 3.08Å
234	P	98.2	Very high	94.4	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.104	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.8	143.8	177.6	27.6	-34	0	0	0	111.3	F98 K106 K107 I109 Q129 S131 V236	F98-P234 HydrophobicContact CE1-CG 4.37Å; K106-P234 WeakPolarHBondContact O-CB 3.42Å; K107-P234 VanDerWaalsContact O-CA 3.28Å; K107-P234 WeakPolarHBondContact O-CA 3.35Å; I109-P234 HydrophobicContact CD1-CB 4.12Å; I109-P234 HydrophobicContact CD1-CG 3.46Å; I109-P234 VanDerWaalsContact CD1-CG 3.46Å; I109-P234 HydrophobicContact CG1-CB 3.9Å; I109-P234 HydrophobicContact CG1-CG 3.79Å; Q129-P234 HydrophobicContact CB-CG 4.04Å; Q129-P234 WeakPolarHBondContact O-CD 3.35Å; S131-P234 VanDerWaalsContact CB-O 3.3Å; S131-P234 WeakPolarHBondContact CB-O 3.25Å; S131-P234 PolarHBondContact OG-O 3.37Å; P234-V236 PolarHBondContact O-N 3Å
235	I	98.8	Very high	94.4	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.9	172.6	-59.1	172.9	0	0	0	108.2	K107 Y108 I109 I133 V135 V224 V237	K107-I235 PolarHBondContact O-N 3.11Å; Y108-I235 CarbonylContact C-O 3.59Å; Y108-I235 VanDerWaalsContact CA-O 3.27Å; Y108-I235 WeakPolarHBondContact CA-O 3.31Å; Y108-I235 HydrophobicContact CD1-CB 4.15Å; I109-I235 PolarHBondContact N-O 2.81Å; I133-I235 HydrophobicContact CB-CG1 4.4Å; I133-I235 HydrophobicContact CB-CG2 4.24Å; I133-I235 HydrophobicContact CD1-CG1 4.45Å; I133-I235 HydrophobicContact CG2-CG2 3.99Å; V135-I235 HydrophobicContact CG2-CG2 3.74Å; V224-I235 HydrophobicContact CG1-CD1 4.19Å; I235-V237 HydrophobicContact CG2-CG2 4.03Å; I235-V237 PolarHBondContact O-N 2.77Å
236	V	98.9	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.2	175.8	179.3	0	0	0	0	108.3	I109 A111 F122 M125 V126 S131 I133 I134 V135 P234	I109-V236 HydrophobicContact CB-CG2 4.35Å; I109-V236 HydrophobicContact CD1-CG2 4.4Å; A111-V236 HydrophobicContact CB-CG1 4.44Å; F122-V236 HydrophobicContact CE2-CG1 3.97Å; F122-V236 HydrophobicContact CZ-CG1 3.85Å; M125-V236 HydrophobicContact CE-CG1 3.85Å; M125-V236 HydrophobicContact CE-CG2 4.12Å; V126-V236 HydrophobicContact CG2-CG2 4.37Å; S131-V236 WeakPolarHBondContact OG-CG2 3.45Å; I133-V236 PolarHBondContact O-N 3.29Å; I134-V236 CarbonylContact C-O 3.52Å; I134-V236 WeakPolarHBondContact CA-O 3.49Å; I134-V236 HydrophobicContact CG1-CB 4.33Å; I134-V236 HydrophobicContact CG2-CB 4.47Å; I134-V236 HydrophobicContact CG2-CG1 4.43Å; V135-V236 PolarHBondContact N-O 3.43Å; P234-V236 PolarHBondContact O-N 3Å
237	V	98.9	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.6	176.4	-169.7	0	0	0	0	108.4	Y108 I109 A110 A111 V135 I235 T246 Y249 I250	Y108-V237 HydrophobicContact CD1-CG2 4.28Å; I109-V237 PolarHBondContact O-N 2.79Å; A110-V237 WeakPolarHBondContact CA-O 3.47Å; A111-V237 PolarHBondContact N-O 3.35Å; V135-V237 HydrophobicContact CB-CG1 4.23Å; V135-V237 HydrophobicContact CB-CG2 4.24Å; V135-V237 HydrophobicContact CG1-CG1 4.38Å; V135-V237 WeakPolarHBondContact O-CA 3.43Å; I235-V237 HydrophobicContact CG2-CG2 4.03Å; I235-V237 PolarHBondContact O-N 2.77Å; V237-T246 HydrophobicContact CB-CG2 4.01Å; V237-T246 HydrophobicContact CG1-CG2 3.8Å; V237-T246 WeakPolarHBondContact O-CG2 3.33Å; V237-Y249 HydrophobicContact CG1-CD1 3.69Å; V237-Y249 HydrophobicContact CG1-CE1 4.39Å; V237-Y249 HydrophobicContact CG1-CG 4.42Å; V237-Y249 HydrophobicContact CG2-CD1 4.05Å; V237-Y249 HydrophobicContact CG2-CE1 4.05Å; V237-I250 HydrophobicContact CB-CD1 4.23Å; V237-I250 HydrophobicContact CB-CG1 4.39Å; V237-I250 HydrophobicContact CG1-CG1 4.46Å; V237-I250 HydrophobicContact CG2-CD1 4.32Å; V237-I250 HydrophobicContact CG2-CG1 4.15Å
238	H	98.9	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157.7	178.1	83.4	89.5	0	0	0	113	A111 V135 M136 V137 Y151 T246	A111-H238 HydrophobicContact CB-CB 4.21Å; A111-H238 WeakPolarHBondContact O-CA 3.36Å; A111-H238 WeakPolarHBondContact O-CB 3.32Å; V135-H238 PolarHBondContact O-N 3.4Å; M136-H238 WeakPolarHBondContact CB-NE2 3.41Å; M136-H238 VanDerWaalsContact CG-CE1 3.45Å; M136-H238 WeakPolarHBondContact CG-CE1 3.36Å; M136-H238 WeakPolarHBondContact CG-NE2 3.15Å; V137-H238 WeakPolarHBondContact CG2-O 3.3Å; V137-H238 PolarHBondContact N-O 2.88Å; Y151-H238 AromaticContact CE1-CE1 3.69Å; Y151-H238 AromaticContact CE1-NE2 3.41Å; Y151-H238 WeakPolarHBondContact CE1-NE2 3.35Å; Y151-H238 AromaticContact CZ-NE2 3.45Å; Y151-H238 PolarHBondContact OH-NE2 3.18Å; H238-T246 WeakPolarHBondContact CA-OG1 3.48Å
239	C	97.9	Very high	95.5	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.054	12%	0.116	C	C	.	.			trans	-129.2	-131.4	168.1	65.2	0	0	0	0	108.1	G113 V137 G242 R245 T246	G113-C239 WeakPolarHBondContact CA-O 3.17Å; G113-C239 PolarHBondContact N-O 3.21Å; G113-C239 VanDerWaalsContact N-O 3.08Å; V137-C239 HydrophobicContact CG2-CB 3.96Å; C239-G242 PolarHBondContact SG-N 2.7Å; C239-R245 HydrophobicContact CB-CB 4.08Å; C239-T246 PolarHBondContact N-OG1 2.85Å; C239-T246 VanDerWaalsContact N-OG1 3.09Å; C239-T246 PolarHBondContact SG-OG1 3.27Å; C239-T246 VanDerWaalsContact SG-OG1 3.41Å
240	S	98	Very high	96	Very high	13 Å²	13	16.9 Å²	16.9	9%	0.091	10%	0.102	C	C	.	.	S	Bend	trans	-79.1	-64.3	166.9	-175.9	0	0	0	0	111.8	R68 Y69 G113 K147	R68-S240 WeakPolarHBondContact CD-OG 3.14Å; Y69-S240 WeakPolarHBondContact CE2-OG 3.3Å; Y69-S240 PolarHBondContact OH-OG 2.93Å; G113-S240 PolarHBondContact N-O 3.36Å; K147-S240 WeakPolarHBondContact O-CA 3.42Å; K147-S240 PolarHBondContact O-OG 2.89Å; K147-S240 VanDerWaalsContact O-OG 3.11Å
241	A	98.1	Very high	97	Very high	10 Å²	10	13 Å²	13	8%	0.083	8%	0.078	C	C	.	.	S	Bend	trans	-88	-16.8	-178.4	0	0	0	0	0	113.8	Y69 I72 V243 R278	Y69-A241 HydrophobicContact CD2-CB 3.66Å; Y69-A241 HydrophobicContact CE2-CB 3.73Å; I72-A241 HydrophobicContact CG1-CB 4.17Å; I72-A241 HydrophobicContact CG2-CB 4.22Å; A241-V243 HydrophobicContact CB-CG2 4.01Å; A241-R278 PolarHBondContact O-NH2 3Å; A241-R278 VanDerWaalsContact O-NH2 3.11Å
242	G	98.3	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	75.4	29.2	-176.8	0	0	0	0	0	114.5	A111 C239 R278	A111-G242 WeakPolarHBondContact O-CA 3.31Å; C239-G242 PolarHBondContact SG-N 2.7Å; G242-R278 WeakPolarHBondContact O-CD 3.47Å; G242-R278 PolarHBondContact O-NE 3.44Å
243	V	98.6	Very high	98.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	-134.5	-47.1	-176.3	-59.3	0	0	0	0	114.3	I72 A241 G247 R278 C279 L280 M281 V282	I72-V243 HydrophobicContact CD1-CG2 4.4Å; I72-V243 HydrophobicContact CG2-CG1 3.57Å; I72-V243 HydrophobicContact CG2-CG2 4.29Å; A241-V243 HydrophobicContact CB-CG2 4.01Å; V243-G247 WeakPolarHBondContact O-CA 3.48Å; V243-G247 PolarHBondContact O-N 2.89Å; V243-G247 VanDerWaalsContact O-N 3.11Å; V243-R278 HydrophobicContact CG1-CG 4.1Å; V243-C279 WeakPolarHBondContact CG1-O 3.19Å; V243-L280 HydrophobicContact CB-CB 4.43Å; V243-L280 HydrophobicContact CG2-CB 4.24Å; V243-M281 HydrophobicContact CB-SD 4.24Å; V243-M281 HydrophobicContact CG1-SD 4.32Å; V243-M281 WeakPolarHBondContact O-CA 3.47Å; V243-V282 PolarHBondContact O-N 3.1Å
244	G	98	Very high	98.6	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-70.1	-91.8	-178.7	0	0	0	0	0	112.4	T246 G247 T248 Q287	G244-T246 PolarHBondContact O-N 3.07Å; G244-G247 PolarHBondContact O-N 3.3Å; G244-T248 PolarHBondContact O-N 2.88Å; G244-T248 PolarHBondContact O-OG1 3.3Å; G244-T248 VanDerWaalsContact O-OG1 3.07Å; G244-Q287 VanDerWaalsContact CA-OE1 3.29Å
245	R	98.6	Very high	98.6	Very high	24 Å²	24	3.8 Å²	3.8	9%	0.091	2%	0.022	C	C	.	.	H	α-helix	trans	-52.6	-39.5	178.6	-53.8	-175.5	-179.2	152.9	5.7	113.1	V137 T138 E142 W205 P206 C239 T248 Y249	V137-R245 HydrophobicContact CB-CB 4.28Å; V137-R245 HydrophobicContact CG2-CB 3.68Å; V137-R245 WeakPolarHBondContact O-CD 3.42Å; T138-R245 PolarHBondContact OG1-NH1 3.42Å; E142-R245 IonicContact OE1-CZ 2.72Å; E142-R245 IonicContact OE1-NH1 2.79Å; E142-R245 PolarHBondContact OE1-NH1 2.73Å; E142-R245 IonicContact OE1-NH2 3.41Å; E142-R245 IonicContact OE2-CZ 2.86Å; E142-R245 IonicContact OE2-NH1 3.17Å; E142-R245 PolarHBondContact OE2-NH1 2.73Å; E142-R245 IonicContact OE2-NH2 3.1Å; E142-R245 PolarHBondContact OE2-NH2 2.87Å; W205-R245 HydrophobicContact CD2-CB 4.15Å; W205-R245 VanDerWaalsContact CD2-CD 3.42Å; W205-R245 HydrophobicContact CD2-CG 3.66Å; W205-R245 VanDerWaalsContact CE2-CG 3.48Å; W205-R245 HydrophobicContact CE3-CB 3.97Å; W205-R245 HydrophobicContact CE3-CG 4.02Å; W205-R245 VanDerWaalsContact CG-CD 3.46Å; W205-R245 HydrophobicContact CG-CG 4.19Å; W205-R245 VanDerWaalsContact CG-NE 3.33Å; W205-R245 HydrophobicContact CH2-CB 3.95Å; W205-R245 HydrophobicContact CH2-CG 4.09Å; W205-R245 HydrophobicContact CZ2-CB 4.13Å; W205-R245 HydrophobicContact CZ2-CG 3.73Å; W205-R245 HydrophobicContact CZ3-CB 3.86Å; W205-R245 HydrophobicContact CZ3-CG 4.21Å; P206-R245 PolarHBondContact O-NH2 3.4Å; C239-R245 HydrophobicContact CB-CB 4.08Å; R245-T248 PolarHBondContact O-N 2.6Å; R245-Y249 PolarHBondContact O-N 2.7Å
246	T	98.9	Very high	98.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-57.9	-49.6	173.5	-62.7	0	0	0	0	112.4	A110 V237 H238 C239 G244 T248 Y249 I250	A110-T246 HydrophobicContact CB-CG2 3.81Å; V237-T246 HydrophobicContact CB-CG2 4.01Å; V237-T246 HydrophobicContact CG1-CG2 3.8Å; V237-T246 WeakPolarHBondContact O-CG2 3.33Å; H238-T246 WeakPolarHBondContact CA-OG1 3.48Å; C239-T246 PolarHBondContact N-OG1 2.85Å; C239-T246 VanDerWaalsContact N-OG1 3.09Å; C239-T246 PolarHBondContact SG-OG1 3.27Å; C239-T246 VanDerWaalsContact SG-OG1 3.41Å; G244-T246 PolarHBondContact O-N 3.07Å; T246-T248 VanDerWaalsContact C-N 3.31Å; T246-T248 PolarHBondContact O-N 2.68Å; T246-Y249 PolarHBondContact O-N 2.98Å; T246-I250 HydrophobicContact CG2-CD1 4.02Å; T246-I250 WeakPolarHBondContact O-CG1 3.46Å; T246-I250 PolarHBondContact O-N 3.05Å; T246-I250 VanDerWaalsContact O-N 3.08Å
247	G	98.8	Very high	98.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.9	-33	178.6	0	0	0	0	0	112.6	V243 G244 G251	V243-G247 WeakPolarHBondContact O-CA 3.48Å; V243-G247 PolarHBondContact O-N 2.89Å; V243-G247 VanDerWaalsContact O-N 3.11Å; G244-G247 PolarHBondContact O-N 3.3Å; G247-G251 PolarHBondContact O-N 3.21Å
248	T	98.8	Very high	98.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.4	-47.7	174.3	-50	0	0	0	0	112.1	W205 G244 R245 T246 G251 I252 Q287 L290 I291	W205-T248 HydrophobicContact CH2-CG2 3.76Å; G244-T248 PolarHBondContact O-N 2.88Å; G244-T248 PolarHBondContact O-OG1 3.3Å; G244-T248 VanDerWaalsContact O-OG1 3.07Å; R245-T248 PolarHBondContact O-N 2.6Å; T246-T248 VanDerWaalsContact C-N 3.31Å; T246-T248 PolarHBondContact O-N 2.68Å; T248-G251 PolarHBondContact O-N 3.12Å; T248-I252 HydrophobicContact CG2-CD1 4.18Å; T248-I252 WeakPolarHBondContact O-CG1 3.42Å; T248-I252 PolarHBondContact O-N 2.83Å; T248-Q287 HydrophobicContact CG2-CB 4.42Å; T248-Q287 WeakPolarHBondContact OG1-CB 3.45Å; T248-L290 HydrophobicContact CG2-CD2 4.02Å; T248-I291 HydrophobicContact CG2-CG1 3.89Å
249	Y	98.8	Very high	98.1	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.008	3%	0.033	C	C	.	.	H	α-helix	trans	-59	-49.3	176	171.9	-96	0	0	0	111.6	V135 L220 V224 V237 R245 T246 G251 I252 D253	V135-Y249 HydrophobicContact CG1-CD1 4.3Å; V135-Y249 HydrophobicContact CG1-CE1 4.09Å; V135-Y249 HydrophobicContact CG1-CE2 4.34Å; V135-Y249 HydrophobicContact CG2-CE1 4.37Å; L220-Y249 HydrophobicContact CD2-CD2 3.75Å; L220-Y249 HydrophobicContact CD2-CE2 3.88Å; L220-Y249 HydrophobicContact CG-CD2 4.29Å; L220-Y249 HydrophobicContact CG-CE2 3.91Å; V224-Y249 VanDerWaalsContact CB-OH 3.29Å; V224-Y249 WeakPolarHBondContact CB-OH 3.47Å; V224-Y249 VanDerWaalsContact CG1-OH 3.27Å; V224-Y249 WeakPolarHBondContact CG1-OH 3.31Å; V224-Y249 WeakPolarHBondContact CG2-OH 3.36Å; V237-Y249 HydrophobicContact CG1-CD1 3.69Å; V237-Y249 HydrophobicContact CG1-CE1 4.39Å; V237-Y249 HydrophobicContact CG1-CG 4.42Å; V237-Y249 HydrophobicContact CG2-CD1 4.05Å; V237-Y249 HydrophobicContact CG2-CE1 4.05Å; R245-Y249 PolarHBondContact O-N 2.7Å; T246-Y249 PolarHBondContact O-N 2.98Å; Y249-G251 VanDerWaalsContact C-N 3.3Å; Y249-G251 PolarHBondContact O-N 2.96Å; Y249-I252 PolarHBondContact O-N 2.81Å; Y249-D253 PolarHBondContact O-N 2.79Å
250	I	98.9	Very high	97.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.8	-41.8	177.6	-69.6	170.5	0	0	0	111	I99 Y108 A110 V237 T246 I252 D253 A254 Y270 L274 M281	I99-I250 HydrophobicContact CG1-CD1 4.46Å; I99-I250 HydrophobicContact CG2-CD1 4.42Å; I99-I250 HydrophobicContact CG2-CG2 4Å; Y108-I250 HydrophobicContact CD1-CG1 4.35Å; Y108-I250 HydrophobicContact CD2-CD1 4.33Å; Y108-I250 HydrophobicContact CD2-CG1 4.2Å; Y108-I250 HydrophobicContact CD2-CG2 3.72Å; Y108-I250 HydrophobicContact CE2-CG2 3.57Å; Y108-I250 HydrophobicContact CG-CD1 4.18Å; Y108-I250 HydrophobicContact CG-CG1 4.1Å; Y108-I250 HydrophobicContact CG-CG2 4.46Å; A110-I250 HydrophobicContact CB-CD1 4.28Å; V237-I250 HydrophobicContact CB-CD1 4.23Å; V237-I250 HydrophobicContact CB-CG1 4.39Å; V237-I250 HydrophobicContact CG1-CG1 4.46Å; V237-I250 HydrophobicContact CG2-CD1 4.32Å; V237-I250 HydrophobicContact CG2-CG1 4.15Å; T246-I250 HydrophobicContact CG2-CD1 4.02Å; T246-I250 WeakPolarHBondContact O-CG1 3.46Å; T246-I250 PolarHBondContact O-N 3.05Å; T246-I250 VanDerWaalsContact O-N 3.08Å; I250-I252 PolarHBondContact O-N 2.93Å; I250-D253 PolarHBondContact O-N 3.47Å; I250-A254 WeakPolarHBondContact O-CB 3.03Å; I250-A254 PolarHBondContact O-N 3.33Å; I250-Y270 HydrophobicContact CG2-CE1 4.31Å; I250-L274 HydrophobicContact CG2-CD2 3.84Å; I250-M281 HydrophobicContact CD1-CE 4.11Å
251	G	98.7	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-44.1	176	0	0	0	0	0	112.7	G247 T248 Y249 M255	G247-G251 PolarHBondContact O-N 3.21Å; T248-G251 PolarHBondContact O-N 3.12Å; Y249-G251 VanDerWaalsContact C-N 3.3Å; Y249-G251 PolarHBondContact O-N 2.96Å; G251-M255 VanDerWaalsContact O-CB 3.23Å; G251-M255 WeakPolarHBondContact O-CB 3.25Å; G251-M255 WeakPolarHBondContact O-CG 3.15Å; G251-M255 PolarHBondContact O-N 3.05Å
252	I	98.8	Very high	97.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.9	-50.7	175.9	-68	166.1	0	0	0	110.4	L217 L218 T248 Y249 I250 A254 M255 M256 I291 A294	L217-I252 HydrophobicContact CB-CD1 3.86Å; L217-I252 HydrophobicContact CD1-CD1 3.46Å; L217-I252 VanDerWaalsContact CD1-CD1 3.46Å; L217-I252 HydrophobicContact CG-CD1 4.3Å; L218-I252 HydrophobicContact CD2-CG2 4.16Å; T248-I252 HydrophobicContact CG2-CD1 4.18Å; T248-I252 WeakPolarHBondContact O-CG1 3.42Å; T248-I252 PolarHBondContact O-N 2.83Å; Y249-I252 PolarHBondContact O-N 2.81Å; I250-I252 PolarHBondContact O-N 2.93Å; I252-A254 PolarHBondContact O-N 3.4Å; I252-M255 PolarHBondContact O-N 3.41Å; I252-M256 HydrophobicContact CG2-CG 4.19Å; I252-M256 VanDerWaalsContact O-CB 3.26Å; I252-M256 WeakPolarHBondContact O-CB 3.23Å; I252-M256 WeakPolarHBondContact O-CG 3.27Å; I252-M256 PolarHBondContact O-N 3.08Å; I252-I291 HydrophobicContact CG1-CB 4.33Å; I252-I291 HydrophobicContact CG1-CG1 4.14Å; I252-I291 HydrophobicContact CG1-CG2 4.23Å; I252-A294 HydrophobicContact CD1-CB 3.87Å; I252-A294 HydrophobicContact CG1-CB 4.02Å; I252-A294 HydrophobicContact CG2-CB 4.17Å
253	D	98.6	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-48.9	-176.4	-173.7	43.1	0	0	0	112.2	K107 Y108 R221 Y249 I250 M256 E257	K107-D253 IonicContact NZ-OD2 3.3Å; K107-D253 PolarHBondContact NZ-OD2 3.2Å; Y108-D253 PolarHBondContact OH-OD2 2.64Å; R221-D253 WeakPolarHBondContact CD-OD1 3.49Å; R221-D253 WeakPolarHBondContact CG-OD1 3.46Å; R221-D253 IonicContact CZ-OD1 3.94Å; R221-D253 IonicContact NE-OD1 3.57Å; R221-D253 PolarHBondContact NE-OD1 2.82Å; R221-D253 IonicContact NH2-OD1 3.74Å; Y249-D253 PolarHBondContact O-N 2.79Å; I250-D253 PolarHBondContact O-N 3.47Å; D253-M256 WeakPolarHBondContact O-CB 3.28Å; D253-M256 PolarHBondContact O-N 3.3Å; D253-E257 WeakPolarHBondContact O-CG 3.39Å; D253-E257 PolarHBondContact O-N 3.48Å; D253-E257 VanDerWaalsContact O-N 3.1Å
254	A	98.3	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.3	-38.9	-179.2	0	0	0	0	0	113.2	F102 I250 I252 M256 E257 G258 Y270	F102-A254 HydrophobicContact CB-CB 4.38Å; F102-A254 WeakPolarHBondContact CB-O 3.44Å; I250-A254 WeakPolarHBondContact O-CB 3.03Å; I250-A254 PolarHBondContact O-N 3.33Å; I252-A254 PolarHBondContact O-N 3.4Å; A254-M256 VanDerWaalsContact C-N 3.32Å; A254-E257 PolarHBondContact O-N 3.42Å; A254-G258 PolarHBondContact O-N 2.85Å; A254-Y270 HydrophobicContact CB-CD1 4.25Å; A254-Y270 HydrophobicContact CB-CE1 3.42Å; A254-Y270 VanDerWaalsContact CB-CE1 3.42Å; A254-Y270 HydrophobicContact CB-CE2 3.91Å; A254-Y270 WeakPolarHBondContact CB-OH 3.34Å
255	M	98.3	Very high	97.4	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.025	12%	0.124	C	C	.	.	H	α-helix	trans	-73.2	-27.2	178	-66.2	-62.3	90.8	0	0	112.6	F102 G251 I252 G258 L259 I265 D266 I267 Y270 L295	F102-M255 HydrophobicContact CD2-CE 4.02Å; G251-M255 VanDerWaalsContact O-CB 3.23Å; G251-M255 WeakPolarHBondContact O-CB 3.25Å; G251-M255 WeakPolarHBondContact O-CG 3.15Å; G251-M255 PolarHBondContact O-N 3.05Å; I252-M255 PolarHBondContact O-N 3.41Å; M255-G258 PolarHBondContact O-N 3.36Å; M255-L259 WeakPolarHBondContact O-CB 3.37Å; M255-L259 PolarHBondContact O-N 2.97Å; M255-I265 WeakPolarHBondContact O-CG2 3.47Å; M255-D266 VanDerWaalsContact SD-C 3.57Å; M255-I267 HydrophobicContact CG-CG1 4.17Å; M255-Y270 VanDerWaalsContact CE-CB 3.49Å; M255-Y270 HydrophobicContact CE-CD1 3.82Å; M255-Y270 HydrophobicContact CE-CD2 3.65Å; M255-Y270 HydrophobicContact CE-CE1 4.47Å; M255-Y270 HydrophobicContact CE-CE2 4.35Å; M255-Y270 HydrophobicContact CE-CG 3.36Å; M255-Y270 HydrophobicContact CG-CD1 4.33Å; M255-Y270 HydrophobicContact SD-CD1 4.48Å; M255-Y270 HydrophobicContact SD-CG 4.17Å; M255-L295 HydrophobicContact CB-CD1 3.49Å; M255-L295 VanDerWaalsContact CB-CD1 3.49Å; M255-L295 HydrophobicContact CB-CD2 3.87Å; M255-L295 HydrophobicContact CB-CG 4.32Å; M255-L295 HydrophobicContact CG-CD1 4.31Å
256	M	97.6	Very high	97.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-47.2	168.1	-80.7	-64.5	-55.7	0	0	111.1	L218 R221 I252 D253 A254 G258 L259 E260 L295 H298	L218-M256 HydrophobicContact CD2-CG 4.2Å; L218-M256 HydrophobicContact CD2-SD 3.92Å; R221-M256 VanDerWaalsContact CZ-CB 3.46Å; I252-M256 HydrophobicContact CG2-CG 4.19Å; I252-M256 VanDerWaalsContact O-CB 3.26Å; I252-M256 WeakPolarHBondContact O-CB 3.23Å; I252-M256 WeakPolarHBondContact O-CG 3.27Å; I252-M256 PolarHBondContact O-N 3.08Å; D253-M256 WeakPolarHBondContact O-CB 3.28Å; D253-M256 PolarHBondContact O-N 3.3Å; A254-M256 VanDerWaalsContact C-N 3.32Å; M256-G258 PolarHBondContact O-N 2.99Å; M256-L259 WeakPolarHBondContact O-CB 3.35Å; M256-L259 PolarHBondContact O-N 3.37Å; M256-E260 WeakPolarHBondContact CE-OE1 3.43Å; M256-E260 WeakPolarHBondContact O-CB 3.14Å; M256-E260 VanDerWaalsContact O-CG 3.25Å; M256-E260 WeakPolarHBondContact O-CG 3.04Å; M256-E260 PolarHBondContact O-N 2.66Å; M256-L295 HydrophobicContact CB-CD2 4.31Å; M256-L295 HydrophobicContact CG-CD2 3.65Å; M256-L295 HydrophobicContact SD-CD2 3.58Å; M256-L295 VanDerWaalsContact SD-CD2 3.58Å; M256-H298 HydrophobicContact CE-CB 3.85Å; M256-H298 WeakPolarHBondContact CE-CD2 3.4Å; M256-H298 WeakPolarHBondContact CE-NE2 3.44Å; M256-H298 HydrophobicContact SD-CB 3.72Å
257	E	96.6	Very high	97.3	Very high	47 Å²	47	24.9 Å²	24.9	22%	0.22	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-37.3	173.7	-68.9	179.1	152.1	0	0	112	F102 K107 D253 A254 A261	F102-E257 HydrophobicContact CB-CB 4.07Å; F102-E257 HydrophobicContact CD1-CB 4.47Å; K107-E257 IonicContact NZ-OE1 3.61Å; K107-E257 PolarHBondContact NZ-OE1 2.85Å; K107-E257 IonicContact NZ-OE2 3.17Å; K107-E257 PolarHBondContact NZ-OE2 3.13Å; D253-E257 WeakPolarHBondContact O-CG 3.39Å; D253-E257 PolarHBondContact O-N 3.48Å; D253-E257 VanDerWaalsContact O-N 3.1Å; A254-E257 PolarHBondContact O-N 3.42Å; E257-A261 WeakPolarHBondContact O-CB 3.13Å; E257-A261 PolarHBondContact O-N 2.76Å
258	G	95.6	Very high	97.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-45.4	174.5	0	0	0	0	0	113.1	F102 A254 M255 M256 A261 E262 R264	F102-G258 VanDerWaalsContact CE1-CA 3.48Å; F102-G258 VanDerWaalsContact CZ-CA 3.48Å; A254-G258 PolarHBondContact O-N 2.85Å; M255-G258 PolarHBondContact O-N 3.36Å; M256-G258 PolarHBondContact O-N 2.99Å; G258-A261 PolarHBondContact O-N 2.96Å; G258-E262 WeakPolarHBondContact O-CB 3.45Å; G258-E262 PolarHBondContact O-N 2.98Å; G258-R264 CarbonylContact C-O 3.49Å
259	L	95.9	Very high	97.3	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-47.4	176.1	-175.8	61	0	0	0	111.2	A21 L24 M255 M256 A261 G263 I265 N299	A21-L259 HydrophobicContact CB-CD1 3.76Å; L24-L259 HydrophobicContact CD1-CD1 4.2Å; M255-L259 WeakPolarHBondContact O-CB 3.37Å; M255-L259 PolarHBondContact O-N 2.97Å; M256-L259 WeakPolarHBondContact O-CB 3.35Å; M256-L259 PolarHBondContact O-N 3.37Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 2.61Å; L259-G263 WeakPolarHBondContact O-CA 3.28Å; L259-G263 PolarHBondContact O-N 2.7Å; L259-I265 HydrophobicContact CB-CG2 3.7Å; L259-I265 HydrophobicContact CD1-CG2 4.1Å; L259-I265 HydrophobicContact CG-CG2 4.39Å; L259-N299 HydrophobicContact CD2-CB 4.36Å
260	E	94.6	Very high	97.3	Very high	106 Å²	106	26.8 Å²	26.8	50%	0.495	15%	0.149	S	C	.	.	H	α-helix	trans	-62.4	-38.2	178.7	-70	160.6	-173.2	0	0	112	R221 M256	R221-E260 IonicContact CZ-OE1 2.87Å; R221-E260 IonicContact NH1-OE1 2.94Å; R221-E260 PolarHBondContact NH1-OE1 3.1Å; R221-E260 IonicContact NH2-OE1 2.77Å; R221-E260 PolarHBondContact NH2-OE1 3.06Å; R221-E260 IonicContact NH2-OE2 3.8Å; R221-E260 PolarHBondContact NH2-OE2 3.14Å; R221-E260 VanDerWaalsContact NH2-OE2 3.1Å; M256-E260 WeakPolarHBondContact CE-OE1 3.43Å; M256-E260 WeakPolarHBondContact O-CB 3.14Å; M256-E260 VanDerWaalsContact O-CG 3.25Å; M256-E260 WeakPolarHBondContact O-CG 3.04Å; M256-E260 PolarHBondContact O-N 2.66Å
261	A	95.5	Very high	97.3	Very high	66 Å²	66	26.8 Å²	26.8	55%	0.545	15%	0.15	S	C	.	.	H	α-helix	trans	-88.9	-31.5	-175.1	0	0	0	0	0	114.7	F102 E257 G258 L259	F102-A261 HydrophobicContact CE1-CB 4.18Å; E257-A261 WeakPolarHBondContact O-CB 3.13Å; E257-A261 PolarHBondContact O-N 2.76Å; G258-A261 PolarHBondContact O-N 2.96Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 2.61Å
262	E	96.2	Very high	97.2	Very high	71 Å²	71	27.1 Å²	27.1	33%	0.332	15%	0.151	S	C	.	.	H	α-helix	trans	-126	-6.5	-170.1	-59.4	-167.8	-179.3	0	0	114.5	F102 K103 G258 R264	F102-E262 HydrophobicContact CE1-CG 4.15Å; F102-E262 VanDerWaalsContact CZ-CD 3.49Å; F102-E262 HydrophobicContact CZ-CG 3.96Å; F102-E262 WeakPolarHBondContact CZ-OE1 3.42Å; K103-E262 WeakPolarHBondContact CE-OE1 3.32Å; K103-E262 IonicContact NZ-OE1 2.96Å; K103-E262 PolarHBondContact NZ-OE1 2.87Å; G258-E262 WeakPolarHBondContact O-CB 3.45Å; G258-E262 PolarHBondContact O-N 2.98Å; E262-R264 HydrophobicContact CB-CG 4.04Å; E262-R264 PolarHBondContact O-N 3.49Å; E262-R264 IonicContact OE2-CZ 3.5Å; E262-R264 IonicContact OE2-NE 3.4Å; E262-R264 PolarHBondContact OE2-NE 3.35Å; E262-R264 IonicContact OE2-NH2 2.73Å; E262-R264 PolarHBondContact OE2-NH2 2.84Å
263	G	95.7	Very high	97.2	Very high	34 Å²	34	30.2 Å²	30.2	35%	0.351	17%	0.166	S	C	.	.	S	Bend	trans	65.4	18.5	-177.8	0	0	0	0	0	113.9	A21 L259	A21-G263 WeakPolarHBondContact CB-O 3.23Å; A21-G263 PolarHBondContact N-O 3.41Å; L259-G263 WeakPolarHBondContact O-CA 3.28Å; L259-G263 PolarHBondContact O-N 2.7Å
264	R	95.9	Very high	97.2	Very high	111 Å²	111	30.2 Å²	30.2	42%	0.419	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.2	179.7	67.8	-174	-176.3	107.7	10.9	110.3	I19 G258 E262	I19-R264 CarbonylContact O-C 3.6Å; I19-R264 WeakPolarHBondContact O-CA 3.28Å; I19-R264 WeakPolarHBondContact O-CB 3.29Å; G258-R264 CarbonylContact C-O 3.49Å; E262-R264 HydrophobicContact CB-CG 4.04Å; E262-R264 PolarHBondContact O-N 3.49Å; E262-R264 IonicContact OE2-CZ 3.5Å; E262-R264 IonicContact OE2-NE 3.4Å; E262-R264 PolarHBondContact OE2-NE 3.35Å; E262-R264 IonicContact OE2-NH2 2.73Å; E262-R264 PolarHBondContact OE2-NH2 2.84Å
265	I	96.2	Very high	97.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.5	-178.8	60.6	175.1	0	0	0	112.2	P18 I19 L24 M255 L259 I267 L295	P18-I265 CarbonylContact C-O 3.54Å; P18-I265 VanDerWaalsContact CA-O 3.24Å; P18-I265 WeakPolarHBondContact CA-O 2.93Å; I19-I265 HydrophobicContact CB-CG1 4.19Å; I19-I265 PolarHBondContact N-O 3.16Å; I19-I265 PolarHBondContact O-N 3.15Å; L24-I265 HydrophobicContact CD1-CD1 4.38Å; L24-I265 HydrophobicContact CD2-CD1 3.25Å; L24-I265 HydrophobicContact CD2-CG1 3.73Å; L24-I265 HydrophobicContact CG-CD1 4.46Å; M255-I265 WeakPolarHBondContact O-CG2 3.47Å; L259-I265 HydrophobicContact CB-CG2 3.7Å; L259-I265 HydrophobicContact CD1-CG2 4.1Å; L259-I265 HydrophobicContact CG-CG2 4.39Å; I265-I267 HydrophobicContact CD1-CD1 3.62Å; I265-I267 HydrophobicContact CD1-CG1 3.88Å; I265-I267 HydrophobicContact CG1-CG1 4.37Å; I265-L295 HydrophobicContact CD1-CB 4.14Å; I265-L295 HydrophobicContact CD1-CD1 3.67Å; I265-L295 HydrophobicContact CD1-CG 4.47Å
266	D	97.6	Very high	97.2	Very high	55 Å²	55	33.7 Å²	33.7	29%	0.294	18%	0.179	S	C	.	.			trans	-125.7	72.7	173.6	-176.3	10.1	0	0	0	110.2	P18 M255 Y268 G269 Y270	P18-D266 HydrophobicContact CB-CB 4.1Å; P18-D266 HydrophobicContact CG-CB 4Å; M255-D266 VanDerWaalsContact SD-C 3.57Å; D266-Y268 VanDerWaalsContact C-N 3.29Å; D266-Y268 PolarHBondContact O-N 2.86Å; D266-G269 WeakPolarHBondContact OD1-CA 3.35Å; D266-G269 PolarHBondContact OD1-N 3.24Å; D266-G269 WeakPolarHBondContact OD2-CA 3.34Å; D266-Y270 VanDerWaalsContact O-CB 3.28Å; D266-Y270 WeakPolarHBondContact O-CB 3.21Å; D266-Y270 PolarHBondContact O-N 2.78Å
267	I	98.4	Very high	97.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-41.3	-177.4	-57.2	166.5	0	0	0	110.3	M255 I265 V271 Y288 I291 H292 L295	M255-I267 HydrophobicContact CG-CG1 4.17Å; I265-I267 HydrophobicContact CD1-CD1 3.62Å; I265-I267 HydrophobicContact CD1-CG1 3.88Å; I265-I267 HydrophobicContact CG1-CG1 4.37Å; I267-V271 HydrophobicContact CG2-CG2 4.3Å; I267-V271 WeakPolarHBondContact O-CB 3.38Å; I267-V271 VanDerWaalsContact O-CG2 3.26Å; I267-V271 WeakPolarHBondContact O-CG2 3.28Å; I267-V271 PolarHBondContact O-N 2.99Å; I267-Y288 HydrophobicContact CG2-CD2 4.36Å; I267-Y288 HydrophobicContact CG2-CE2 3.86Å; I267-I291 HydrophobicContact CD1-CG2 4.24Å; I267-I291 HydrophobicContact CG1-CG2 4.2Å; I267-I291 HydrophobicContact CG2-CB 4.21Å; I267-I291 HydrophobicContact CG2-CD1 4.46Å; I267-I291 HydrophobicContact CG2-CG2 3.78Å; I267-H292 HydrophobicContact CD1-CB 4.14Å; I267-H292 VanDerWaalsContact CD1-CD2 3.5Å; I267-H292 WeakPolarHBondContact CD1-CD2 3.49Å; I267-H292 WeakPolarHBondContact CD1-CE1 3.42Å; I267-H292 VanDerWaalsContact CD1-ND1 3.3Å; I267-H292 WeakPolarHBondContact CD1-ND1 3.49Å; I267-H292 VanDerWaalsContact CG2-CE1 3.5Å; I267-H292 WeakPolarHBondContact CG2-CE1 3.44Å; I267-L295 HydrophobicContact CD1-CD1 3.58Å; I267-L295 HydrophobicContact CG1-CD1 3.71Å
268	Y	98.6	Very high	97.4	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-55.9	179.5	-178.6	-92.6	0	0	0	111.2	L13 M14 V16 E42 S45 I46 D266 Y270 V271 V272	L13-Y268 WeakPolarHBondContact CA-OH 3.34Å; L13-Y268 WeakPolarHBondContact CD2-OH 3.44Å; M14-Y268 PolarHBondContact N-OH 2.68Å; M14-Y268 WeakPolarHBondContact O-CE1 2.91Å; V16-Y268 HydrophobicContact CB-CD1 3.81Å; V16-Y268 HydrophobicContact CB-CD2 4.38Å; V16-Y268 HydrophobicContact CB-CG 3.73Å; V16-Y268 HydrophobicContact CG1-CG 4.31Å; V16-Y268 HydrophobicContact CG2-CD1 3.8Å; V16-Y268 HydrophobicContact CG2-CD2 3.75Å; V16-Y268 HydrophobicContact CG2-CE1 4.15Å; V16-Y268 HydrophobicContact CG2-CE2 4.09Å; V16-Y268 HydrophobicContact CG2-CG 3.59Å; E42-Y268 HydrophobicContact CB-CD2 4.23Å; E42-Y268 HydrophobicContact CB-CE2 4.4Å; E42-Y268 WeakPolarHBondContact O-CE2 3.43Å; S45-Y268 VanDerWaalsContact OG-CE2 3.27Å; S45-Y268 WeakPolarHBondContact OG-CE2 3.36Å; S45-Y268 PolarHBondContact OG-OH 2.86Å; I46-Y268 HydrophobicContact CD1-CD2 3.9Å; I46-Y268 HydrophobicContact CD1-CE2 3.81Å; I46-Y268 HydrophobicContact CG1-CD2 4.04Å; I46-Y268 HydrophobicContact CG1-CE2 3.4Å; I46-Y268 VanDerWaalsContact CG1-CE2 3.4Å; D266-Y268 VanDerWaalsContact C-N 3.29Å; D266-Y268 PolarHBondContact O-N 2.86Å; Y268-Y270 VanDerWaalsContact C-N 3.29Å; Y268-Y270 PolarHBondContact O-N 3.24Å; Y268-V271 PolarHBondContact O-N 2.88Å; Y268-V272 HydrophobicContact CD1-CG2 4.17Å; Y268-V272 HydrophobicContact CE1-CG2 3.8Å; Y268-V272 WeakPolarHBondContact O-CG2 3.29Å; Y268-V272 PolarHBondContact O-N 2.89Å
269	G	98.3	Very high	97.5	Very high	24 Å²	24	32.2 Å²	32.2	25%	0.247	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-37.6	-179.5	0	0	0	0	0	112.5	D266 V272 Q273	D266-G269 WeakPolarHBondContact OD1-CA 3.35Å; D266-G269 PolarHBondContact OD1-N 3.24Å; D266-G269 WeakPolarHBondContact OD2-CA 3.34Å; G269-V272 WeakPolarHBondContact O-CB 2.99Å; G269-V272 PolarHBondContact O-N 3.24Å; G269-Q273 PolarHBondContact O-N 2.91Å
270	Y	98.5	Very high	97.5	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-40.7	176.7	-167.5	-108.1	0	0	0	112.5	D100 I250 A254 M255 D266 Y268 V272 Q273 L274	D100-Y270 PolarHBondContact O-OH 3.36Å; I250-Y270 HydrophobicContact CG2-CE1 4.31Å; A254-Y270 HydrophobicContact CB-CD1 4.25Å; A254-Y270 HydrophobicContact CB-CE1 3.42Å; A254-Y270 VanDerWaalsContact CB-CE1 3.42Å; A254-Y270 HydrophobicContact CB-CE2 3.91Å; A254-Y270 WeakPolarHBondContact CB-OH 3.34Å; M255-Y270 VanDerWaalsContact CE-CB 3.49Å; M255-Y270 HydrophobicContact CE-CD1 3.82Å; M255-Y270 HydrophobicContact CE-CD2 3.65Å; M255-Y270 HydrophobicContact CE-CE1 4.47Å; M255-Y270 HydrophobicContact CE-CE2 4.35Å; M255-Y270 HydrophobicContact CE-CG 3.36Å; M255-Y270 HydrophobicContact CG-CD1 4.33Å; M255-Y270 HydrophobicContact SD-CD1 4.48Å; M255-Y270 HydrophobicContact SD-CG 4.17Å; D266-Y270 VanDerWaalsContact O-CB 3.28Å; D266-Y270 WeakPolarHBondContact O-CB 3.21Å; D266-Y270 PolarHBondContact O-N 2.78Å; Y268-Y270 VanDerWaalsContact C-N 3.29Å; Y268-Y270 PolarHBondContact O-N 3.24Å; Y270-V272 VanDerWaalsContact C-N 3.32Å; Y270-V272 PolarHBondContact O-N 3.3Å; Y270-Q273 CarbonylContact O-C 3.56Å; Y270-Q273 WeakPolarHBondContact O-CA 3.4Å; Y270-Q273 WeakPolarHBondContact O-CB 3.47Å; Y270-Q273 PolarHBondContact O-N 2.72Å; Y270-Q273 VanDerWaalsContact O-N 3.11Å; Y270-L274 HydrophobicContact CD1-CD1 4.08Å; Y270-L274 HydrophobicContact CD1-CG 4.12Å; Y270-L274 HydrophobicContact CE1-CD1 3.94Å; Y270-L274 HydrophobicContact CE1-CD2 3.89Å; Y270-L274 HydrophobicContact CE1-CG 3.91Å; Y270-L274 WeakPolarHBondContact O-CG 3.2Å; Y270-L274 PolarHBondContact O-N 3.39Å
271	V	98.7	Very high	97.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-36	174.5	174.3	0	0	0	0	111.5	I46 I267 Y268 Q273 L274 R275 V282 Y288 I291	I46-V271 HydrophobicContact CD1-CB 4.17Å; I46-V271 HydrophobicContact CD1-CG1 3.81Å; I267-V271 HydrophobicContact CG2-CG2 4.3Å; I267-V271 WeakPolarHBondContact O-CB 3.38Å; I267-V271 VanDerWaalsContact O-CG2 3.26Å; I267-V271 WeakPolarHBondContact O-CG2 3.28Å; I267-V271 PolarHBondContact O-N 2.99Å; Y268-V271 PolarHBondContact O-N 2.88Å; V271-Q273 VanDerWaalsContact C-N 3.34Å; V271-L274 PolarHBondContact O-N 2.93Å; V271-R275 PolarHBondContact O-N 3.45Å; V271-V282 HydrophobicContact CG1-CB 4.16Å; V271-V282 HydrophobicContact CG1-CG2 4.24Å; V271-V282 HydrophobicContact CG2-CG2 3.97Å; V271-Y288 HydrophobicContact CB-CE2 4.38Å; V271-Y288 HydrophobicContact CG2-CD2 4.1Å; V271-Y288 HydrophobicContact CG2-CE2 4.1Å; V271-I291 HydrophobicContact CG2-CD1 4.22Å
272	V	98.5	Very high	97.9	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.036	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-46.7	169.4	170.2	0	0	0	0	110.7	L13 I46 F50 Y268 G269 Y270 R275 R276	L13-V272 HydrophobicContact CD1-CG1 3.92Å; L13-V272 HydrophobicContact CD2-CG1 4.27Å; L13-V272 HydrophobicContact CD2-CG2 3.72Å; I46-V272 HydrophobicContact CD1-CG2 4.35Å; I46-V272 HydrophobicContact CG1-CG2 4.09Å; I46-V272 HydrophobicContact CG2-CG2 3.97Å; F50-V272 HydrophobicContact CZ-CG1 4.13Å; Y268-V272 HydrophobicContact CD1-CG2 4.17Å; Y268-V272 HydrophobicContact CE1-CG2 3.8Å; Y268-V272 WeakPolarHBondContact O-CG2 3.29Å; Y268-V272 PolarHBondContact O-N 2.89Å; G269-V272 WeakPolarHBondContact O-CB 2.99Å; G269-V272 PolarHBondContact O-N 3.24Å; Y270-V272 VanDerWaalsContact C-N 3.32Å; Y270-V272 PolarHBondContact O-N 3.3Å; V272-R275 PolarHBondContact O-N 3.3Å; V272-R276 WeakPolarHBondContact O-CG 3.04Å; V272-R276 PolarHBondContact O-N 2.88Å
273	Q	98.1	Very high	97.9	Very high	66 Å²	66	23.8 Å²	23.8	31%	0.308	12%	0.121	S	C	.	.	H	α-helix	trans	-60.3	-45.9	175.5	178.8	178.9	-8	0	0	111.9	G269 Y270 V271 R275 R276 Q277	G269-Q273 PolarHBondContact O-N 2.91Å; Y270-Q273 CarbonylContact O-C 3.56Å; Y270-Q273 WeakPolarHBondContact O-CA 3.4Å; Y270-Q273 WeakPolarHBondContact O-CB 3.47Å; Y270-Q273 PolarHBondContact O-N 2.72Å; Y270-Q273 VanDerWaalsContact O-N 3.11Å; V271-Q273 VanDerWaalsContact C-N 3.34Å; Q273-R275 VanDerWaalsContact C-N 3.3Å; Q273-R275 PolarHBondContact O-N 2.86Å; Q273-R276 WeakPolarHBondContact O-CB 3.25Å; Q273-R276 PolarHBondContact O-N 3.1Å; Q273-R276 VanDerWaalsContact O-N 3.07Å; Q273-Q277 PolarHBondContact O-N 2.91Å; Q273-Q277 VanDerWaalsContact O-N 3.14Å
274	L	98.7	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-46.6	175.5	-68	179.5	0	0	0	111	I99 I250 Y270 V271 R276 Q277 R278 M281 V282	I99-L274 HydrophobicContact CG2-CD2 3.36Å; I250-L274 HydrophobicContact CG2-CD2 3.84Å; Y270-L274 HydrophobicContact CD1-CD1 4.08Å; Y270-L274 HydrophobicContact CD1-CG 4.12Å; Y270-L274 HydrophobicContact CE1-CD1 3.94Å; Y270-L274 HydrophobicContact CE1-CD2 3.89Å; Y270-L274 HydrophobicContact CE1-CG 3.91Å; Y270-L274 WeakPolarHBondContact O-CG 3.2Å; Y270-L274 PolarHBondContact O-N 3.39Å; V271-L274 PolarHBondContact O-N 2.93Å; L274-R276 VanDerWaalsContact C-N 3.26Å; L274-R276 PolarHBondContact O-N 3.34Å; L274-Q277 CarbonylContact O-C 3.46Å; L274-Q277 PolarHBondContact O-N 3.17Å; L274-R278 PolarHBondContact O-N 2.84Å; L274-R278 VanDerWaalsContact O-O 3.12Å; L274-M281 HydrophobicContact CB-CB 3.61Å; L274-M281 HydrophobicContact CB-CG 4.04Å; L274-M281 HydrophobicContact CD1-CB 4.48Å; L274-M281 HydrophobicContact CD2-CE 4.24Å; L274-V282 HydrophobicContact CD1-CG2 4.5Å
275	R	98.6	Very high	98.1	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-69.7	-20.1	179.1	-70.7	-162.3	-169.9	165.7	3.6	114.4	I46 P47 F50 Y75 V271 V272 Q273 R278 M281 V282	I46-R275 HydrophobicContact CG2-CG 4.48Å; I46-R275 PolarHBondContact O-NH1 2.94Å; P47-R275 WeakPolarHBondContact O-CD 3.44Å; P47-R275 PolarHBondContact O-NH1 2.9Å; F50-R275 HydrophobicContact CD2-CB 4.3Å; F50-R275 WeakPolarHBondContact CD2-O 3.33Å; F50-R275 HydrophobicContact CE2-CB 3.95Å; Y75-R275 WeakPolarHBondContact CE2-O 3.47Å; V271-R275 PolarHBondContact O-N 3.45Å; V272-R275 PolarHBondContact O-N 3.3Å; Q273-R275 VanDerWaalsContact C-N 3.3Å; Q273-R275 PolarHBondContact O-N 2.86Å; R275-R278 VanDerWaalsContact CA-O 3.26Å; R275-R278 WeakPolarHBondContact CA-O 3.15Å; R275-M281 HydrophobicContact CG-CB 4.1Å; R275-M281 WeakPolarHBondContact CG-O 3.43Å; R275-M281 PolarHBondContact NE-O 3.01Å; R275-V282 PolarHBondContact NH2-O 3.17Å
276	R	98.3	Very high	98.1	Very high	75 Å²	75	24 Å²	24	28%	0.283	13%	0.129	S	C	.	.	H	α-helix	trans	-75.4	-27.1	168.4	-70.9	169.6	173.4	168.4	0.3	112	E10 F50 Y53 Y75 Y77 V272 Q273 L274	E10-R276 VanDerWaalsContact CD-NH2 3.34Å; E10-R276 IonicContact OE1-CZ 3.7Å; E10-R276 IonicContact OE1-NE 2.75Å; E10-R276 IonicContact OE1-NH2 3.86Å; E10-R276 PolarHBondContact OE1-NH2 3.32Å; E10-R276 IonicContact OE2-CZ 2.7Å; E10-R276 IonicContact OE2-NH2 3.71Å; E10-R276 PolarHBondContact OE2-NH2 3.43Å; F50-R276 HydrophobicContact CD1-CG 4.33Å; F50-R276 HydrophobicContact CD2-CG 3.88Å; F50-R276 HydrophobicContact CE1-CG 4.21Å; F50-R276 HydrophobicContact CE2-CG 3.75Å; F50-R276 HydrophobicContact CG-CG 4.17Å; F50-R276 HydrophobicContact CZ-CG 3.93Å; Y53-R276 HydrophobicContact CE2-CB 3.81Å; Y53-R276 HydrophobicContact CE2-CG 4Å; Y53-R276 WeakPolarHBondContact CE2-O 3.49Å; Y75-R276 WeakPolarHBondContact CD2-O 3.46Å; Y75-R276 WeakPolarHBondContact CE2-O 3.26Å; Y77-R276 WeakPolarHBondContact CE1-O 3.27Å; Y77-R276 VanDerWaalsContact OH-C 3.32Å; Y77-R276 PolarHBondContact OH-O 2.88Å; V272-R276 WeakPolarHBondContact O-CG 3.04Å; V272-R276 PolarHBondContact O-N 2.88Å; Q273-R276 WeakPolarHBondContact O-CB 3.25Å; Q273-R276 PolarHBondContact O-N 3.1Å; Q273-R276 VanDerWaalsContact O-N 3.07Å; L274-R276 VanDerWaalsContact C-N 3.26Å; L274-R276 PolarHBondContact O-N 3.34Å
277	Q	98.7	Very high	98.2	Very high	14 Å²	14	22 Å²	22	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-91.5	-32.4	178.9	-66	-173.3	-72.2	0	0	113.5	Y75 Y77 N78 I99 D100 Q273 L274	Y75-Q277 WeakPolarHBondContact CD2-O 3.46Å; Y77-Q277 WeakPolarHBondContact OH-CA 3.5Å; N78-Q277 WeakPolarHBondContact ND2-CA 3.1Å; N78-Q277 WeakPolarHBondContact ND2-CB 3.1Å; N78-Q277 PolarHBondContact ND2-O 3.02Å; N78-Q277 PolarHBondContact OD1-O 3.44Å; I99-Q277 HydrophobicContact CD1-CB 3.65Å; D100-Q277 VanDerWaalsContact N-OE1 3.08Å; D100-Q277 PolarHBondContact OD1-NE2 3.07Å; D100-Q277 PolarHBondContact OD2-NE2 2.8Å; Q273-Q277 PolarHBondContact O-N 2.91Å; Q273-Q277 VanDerWaalsContact O-N 3.14Å; L274-Q277 CarbonylContact O-C 3.46Å; L274-Q277 PolarHBondContact O-N 3.17Å
278	R	98.6	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-151.1	136.1	175.9	-175	173.4	179.5	77	3.3	109.1	N95 S97 I99 A241 G242 V243 L274 R275 M281	N95-R278 PolarHBondContact OD1-NH1 3.42Å; N95-R278 PolarHBondContact OD1-NH2 3.44Å; S97-R278 PolarHBondContact OG-NH1 2.91Å; I99-R278 HydrophobicContact CD1-CB 3.97Å; A241-R278 PolarHBondContact O-NH2 3Å; A241-R278 VanDerWaalsContact O-NH2 3.11Å; G242-R278 WeakPolarHBondContact O-CD 3.47Å; G242-R278 PolarHBondContact O-NE 3.44Å; V243-R278 HydrophobicContact CG1-CG 4.1Å; L274-R278 PolarHBondContact O-N 2.84Å; L274-R278 VanDerWaalsContact O-O 3.12Å; R275-R278 VanDerWaalsContact CA-O 3.26Å; R275-R278 WeakPolarHBondContact CA-O 3.15Å; R278-M281 HydrophobicContact CB-CG 3.82Å; R278-M281 HydrophobicContact CB-SD 4.06Å; R278-M281 HydrophobicContact CG-CG 4.36Å; R278-M281 HydrophobicContact CG-SD 4.17Å; R278-M281 VanDerWaalsContact O-CG 3.22Å; R278-M281 WeakPolarHBondContact O-CG 3.26Å
279	C	97.4	Very high	98.2	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.02	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	151.5	-176.2	62.8	0	0	0	0	112.1	I49 V243 M281	I49-C279 HydrophobicContact CG1-CB 4.08Å; V243-C279 WeakPolarHBondContact CG1-O 3.19Å; C279-M281 PolarHBondContact O-N 3.18Å
280	L	97.5	Very high	98.2	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	15.2	168.4	-66.5	169.5	0	0	0	116.8	R48 I72 V243 V282 Q283	R48-L280 HydrophobicContact CB-CD2 3.5Å; R48-L280 HydrophobicContact CB-CG 4.49Å; R48-L280 HydrophobicContact CG-CD2 3.75Å; R48-L280 PolarHBondContact O-N 3.35Å; I72-L280 HydrophobicContact CD1-CD1 3.39Å; V243-L280 HydrophobicContact CB-CB 4.43Å; V243-L280 HydrophobicContact CG2-CB 4.24Å; L280-V282 CarbonylContact O-C 3.59Å; L280-V282 PolarHBondContact O-N 3.17Å; L280-Q283 WeakPolarHBondContact O-CA 3.39Å
281	M	98.7	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-53.4	130.3	174	-68.4	-68.3	-78.4	0	0	109.9	I99 A110 V243 I250 L274 R275 R278 C279	I99-M281 HydrophobicContact CD1-CE 4.41Å; I99-M281 HydrophobicContact CG1-CE 4.48Å; A110-M281 HydrophobicContact CB-CE 4.14Å; A110-M281 HydrophobicContact CB-SD 4.42Å; V243-M281 HydrophobicContact CB-SD 4.24Å; V243-M281 HydrophobicContact CG1-SD 4.32Å; V243-M281 WeakPolarHBondContact O-CA 3.47Å; I250-M281 HydrophobicContact CD1-CE 4.11Å; L274-M281 HydrophobicContact CB-CB 3.61Å; L274-M281 HydrophobicContact CB-CG 4.04Å; L274-M281 HydrophobicContact CD1-CB 4.48Å; L274-M281 HydrophobicContact CD2-CE 4.24Å; R275-M281 HydrophobicContact CG-CB 4.1Å; R275-M281 WeakPolarHBondContact CG-O 3.43Å; R275-M281 PolarHBondContact NE-O 3.01Å; R278-M281 HydrophobicContact CB-CG 3.82Å; R278-M281 HydrophobicContact CB-SD 4.06Å; R278-M281 HydrophobicContact CG-CG 4.36Å; R278-M281 HydrophobicContact CG-SD 4.17Å; R278-M281 VanDerWaalsContact O-CG 3.22Å; R278-M281 WeakPolarHBondContact O-CG 3.26Å; C279-M281 PolarHBondContact O-N 3.18Å
282	V	98.5	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	58	92.5	-164.4	-170.7	0	0	0	0	109.7	F43 V243 V271 L274 R275 L280 Q287 I291	F43-V282 HydrophobicContact CE2-CG1 4.31Å; F43-V282 WeakPolarHBondContact CE2-O 3.34Å; V243-V282 PolarHBondContact O-N 3.1Å; V271-V282 HydrophobicContact CG1-CB 4.16Å; V271-V282 HydrophobicContact CG1-CG2 4.24Å; V271-V282 HydrophobicContact CG2-CG2 3.97Å; L274-V282 HydrophobicContact CD1-CG2 4.5Å; R275-V282 PolarHBondContact NH2-O 3.17Å; L280-V282 CarbonylContact O-C 3.59Å; L280-V282 PolarHBondContact O-N 3.17Å; V282-Q287 HydrophobicContact CG1-CB 3.86Å; V282-I291 HydrophobicContact CG1-CD1 4.25Å; V282-I291 HydrophobicContact CG2-CD1 3.78Å
283	Q	97.3	Very high	98.1	Very high	74 Å²	74	24 Å²	24	35%	0.346	12%	0.121	S	C	.	.			trans	-87.9	-29.5	-158.9	-172.3	176.2	19.6	0	0	113.6	L280	L280-Q283 WeakPolarHBondContact O-CA 3.39Å
284	V	97.2	Very high	98.1	Very high	64 Å²	64	20.8 Å²	20.8	39%	0.388	11%	0.106	S	C	.	.	S	Bend	trans	-129.2	158.4	-178.6	-60.3	0	0	0	0	111.1	F43 A286 Q287 Y288	F43-V284 VanDerWaalsContact CZ-C 3.42Å; V284-A286 HydrophobicContact CG2-CB 4.48Å; V284-A286 PolarHBondContact O-N 2.79Å; V284-Q287 HydrophobicContact CG2-CB 4.08Å; V284-Q287 HydrophobicContact CG2-CG 3.67Å; V284-Q287 WeakPolarHBondContact O-CB 3.49Å; V284-Q287 PolarHBondContact O-N 3.48Å; V284-Q287 VanDerWaalsContact O-N 3.16Å; V284-Y288 PolarHBondContact O-N 2.64Å
285	E	97.4	Very high	98.1	Very high	51 Å²	51	20.8 Å²	20.8	24%	0.238	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-44.6	-178.1	-176.7	-169.8	-169.8	0	0	112.3	L40 F43 Q287 Y288 I289	L40-E285 VanDerWaalsContact CA-OE1 3.31Å; L40-E285 WeakPolarHBondContact CA-OE1 3.47Å; L40-E285 WeakPolarHBondContact CB-OE1 3.47Å; L40-E285 PolarHBondContact N-OE1 3.07Å; L40-E285 VanDerWaalsContact N-OE1 3.07Å; F43-E285 HydrophobicContact CD1-CB 4.05Å; F43-E285 HydrophobicContact CE1-CB 4.42Å; F43-E285 HydrophobicContact CG-CB 4.41Å; E285-Q287 PolarHBondContact O-N 2.75Å; E285-Q287 VanDerWaalsContact O-N 3.13Å; E285-Y288 WeakPolarHBondContact O-CA 3.4Å; E285-Y288 VanDerWaalsContact O-CB 3.31Å; E285-Y288 WeakPolarHBondContact O-CB 3.5Å; E285-Y288 PolarHBondContact O-N 3.44Å; E285-I289 HydrophobicContact CG-CD1 3.9Å; E285-I289 HydrophobicContact CG-CG1 4.28Å; E285-I289 PolarHBondContact O-N 2.93Å
286	A	97.6	Very high	98	Very high	40 Å²	40	21.3 Å²	21.3	33%	0.331	11%	0.109	S	C	.	.	H	α-helix	trans	-55.5	-35	179.1	0	0	0	0	0	112.5	V210 V284 L290	V210-A286 HydrophobicContact CG1-CB 3.97Å; V210-A286 HydrophobicContact CG2-CB 4.38Å; V284-A286 HydrophobicContact CG2-CB 4.48Å; V284-A286 PolarHBondContact O-N 2.79Å; A286-L290 WeakPolarHBondContact O-CB 3.38Å; A286-L290 PolarHBondContact O-N 3.3Å
287	Q	98.3	Very high	97.9	Very high	13 Å²	13	18.5 Å²	18.5	6%	0.061	10%	0.099	C	C	.	.	H	α-helix	trans	-68.7	-36.4	174.3	-76.2	169	5.9	0	0	112.4	W205 V210 G244 T248 V282 V284 E285 L290 I291	W205-Q287 HydrophobicContact CZ2-CG 4.14Å; V210-Q287 HydrophobicContact CG1-CG 3.98Å; G244-Q287 VanDerWaalsContact CA-OE1 3.29Å; T248-Q287 HydrophobicContact CG2-CB 4.42Å; T248-Q287 WeakPolarHBondContact OG1-CB 3.45Å; V282-Q287 HydrophobicContact CG1-CB 3.86Å; V284-Q287 HydrophobicContact CG2-CB 4.08Å; V284-Q287 HydrophobicContact CG2-CG 3.67Å; V284-Q287 WeakPolarHBondContact O-CB 3.49Å; V284-Q287 PolarHBondContact O-N 3.48Å; V284-Q287 VanDerWaalsContact O-N 3.16Å; E285-Q287 PolarHBondContact O-N 2.75Å; E285-Q287 VanDerWaalsContact O-N 3.13Å; Q287-L290 PolarHBondContact O-N 3.15Å; Q287-I291 WeakPolarHBondContact O-CG1 3.35Å; Q287-I291 PolarHBondContact O-N 3.46Å
288	Y	98.6	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-41.8	176	-178.3	-103.9	0	0	0	111.6	F39 E42 F43 I46 I267 V271 V284 E285 L290 I291 H292	F39-Y288 HydrophobicContact CD1-CD1 4.29Å; F39-Y288 HydrophobicContact CD1-CE1 4.13Å; E42-Y288 HydrophobicContact CB-CE1 4.33Å; E42-Y288 PolarHBondContact OE2-OH 3.21Å; E42-Y288 VanDerWaalsContact OE2-OH 3.04Å; F43-Y288 HydrophobicContact CB-CD1 4.26Å; F43-Y288 HydrophobicContact CD2-CD1 4.43Å; F43-Y288 HydrophobicContact CD2-CD2 4.24Å; F43-Y288 AromaticContact CD2-CG 3.88Å; F43-Y288 HydrophobicContact CD2-CG 3.88Å; I46-Y288 HydrophobicContact CD1-CE2 4.36Å; I267-Y288 HydrophobicContact CG2-CD2 4.36Å; I267-Y288 HydrophobicContact CG2-CE2 3.86Å; V271-Y288 HydrophobicContact CB-CE2 4.38Å; V271-Y288 HydrophobicContact CG2-CD2 4.1Å; V271-Y288 HydrophobicContact CG2-CE2 4.1Å; V284-Y288 PolarHBondContact O-N 2.64Å; E285-Y288 WeakPolarHBondContact O-CA 3.4Å; E285-Y288 VanDerWaalsContact O-CB 3.31Å; E285-Y288 WeakPolarHBondContact O-CB 3.5Å; E285-Y288 PolarHBondContact O-N 3.44Å; Y288-L290 VanDerWaalsContact C-N 3.32Å; Y288-I291 PolarHBondContact O-N 2.69Å; Y288-H292 AromaticContact CE1-CE1 3.57Å; Y288-H292 AromaticContact CZ-CE1 3.59Å; Y288-H292 PolarHBondContact O-ND1 3.37Å
289	I	98.4	Very high	97.6	Very high	22 Å²	22	22.6 Å²	22.6	11%	0.113	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-39.3	173.2	-63.6	174.1	0	0	0	110.3	Y28 F39 E285 I291 H292 Q293	Y28-I289 HydrophobicContact CE2-CG2 4.17Å; F39-I289 HydrophobicContact CB-CD1 4.01Å; F39-I289 HydrophobicContact CB-CG1 3.95Å; F39-I289 HydrophobicContact CD1-CG1 4.11Å; F39-I289 HydrophobicContact CD2-CD1 4.06Å; F39-I289 HydrophobicContact CD2-CG1 3.95Å; F39-I289 HydrophobicContact CE2-CG1 4.45Å; F39-I289 HydrophobicContact CG-CD1 4.12Å; F39-I289 HydrophobicContact CG-CG1 3.76Å; E285-I289 HydrophobicContact CG-CD1 3.9Å; E285-I289 HydrophobicContact CG-CG1 4.28Å; E285-I289 PolarHBondContact O-N 2.93Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.33Å; I289-H292 WeakPolarHBondContact O-CA 3.49Å; I289-H292 WeakPolarHBondContact O-CB 3.27Å; I289-H292 PolarHBondContact O-N 2.95Å; I289-Q293 HydrophobicContact CG2-CG 4.19Å; I289-Q293 WeakPolarHBondContact O-CG 3.35Å; I289-Q293 PolarHBondContact O-N 2.89Å
290	L	98.4	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-36.8	178.1	-174.8	67.8	0	0	0	112.8	W205 V210 P214 L217 T248 A286 Q287 Y288 H292 Q293 A294	W205-L290 HydrophobicContact CH2-CD2 4Å; W205-L290 HydrophobicContact CZ2-CD2 4.14Å; V210-L290 HydrophobicContact CB-CD2 3.96Å; V210-L290 HydrophobicContact CG1-CB 4.44Å; V210-L290 HydrophobicContact CG1-CD2 4.1Å; P214-L290 HydrophobicContact CB-CD1 4.34Å; P214-L290 HydrophobicContact CG-CD1 4.29Å; L217-L290 HydrophobicContact CD1-CD2 3.43Å; L217-L290 VanDerWaalsContact CD1-CD2 3.43Å; L217-L290 HydrophobicContact CD1-CG 4.15Å; T248-L290 HydrophobicContact CG2-CD2 4.02Å; A286-L290 WeakPolarHBondContact O-CB 3.38Å; A286-L290 PolarHBondContact O-N 3.3Å; Q287-L290 PolarHBondContact O-N 3.15Å; Y288-L290 VanDerWaalsContact C-N 3.32Å; L290-H292 VanDerWaalsContact C-N 3.3Å; L290-H292 PolarHBondContact O-N 3.21Å; L290-Q293 PolarHBondContact O-N 2.94Å; L290-A294 WeakPolarHBondContact O-CB 3.45Å; L290-A294 PolarHBondContact O-N 3.39Å
291	I	98.6	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-44.7	174.4	-59	168.2	0	0	0	109.9	T248 I252 I267 V271 V282 Q287 Y288 I289 A294 L295	T248-I291 HydrophobicContact CG2-CG1 3.89Å; I252-I291 HydrophobicContact CG1-CB 4.33Å; I252-I291 HydrophobicContact CG1-CG1 4.14Å; I252-I291 HydrophobicContact CG1-CG2 4.23Å; I267-I291 HydrophobicContact CD1-CG2 4.24Å; I267-I291 HydrophobicContact CG1-CG2 4.2Å; I267-I291 HydrophobicContact CG2-CB 4.21Å; I267-I291 HydrophobicContact CG2-CD1 4.46Å; I267-I291 HydrophobicContact CG2-CG2 3.78Å; V271-I291 HydrophobicContact CG2-CD1 4.22Å; V282-I291 HydrophobicContact CG1-CD1 4.25Å; V282-I291 HydrophobicContact CG2-CD1 3.78Å; Q287-I291 WeakPolarHBondContact O-CG1 3.35Å; Q287-I291 PolarHBondContact O-N 3.46Å; Y288-I291 PolarHBondContact O-N 2.69Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.33Å; I291-A294 PolarHBondContact O-N 3.17Å; I291-L295 HydrophobicContact CG2-CD1 3.81Å; I291-L295 WeakPolarHBondContact O-CD1 3.35Å; I291-L295 VanDerWaalsContact O-CG 3.26Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.32Å; I291-L295 VanDerWaalsContact O-N 3.14Å
292	H	98.4	Very high	97.1	Very high	12 Å²	12	26 Å²	26	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-43	177.3	-68.2	61.6	0	0	0	111.4	Y28 F39 I267 Y288 I289 L290 L295 L296	Y28-H292 HydrophobicContact CD2-CB 3.94Å; Y28-H292 HydrophobicContact CE2-CB 4.18Å; F39-H292 HydrophobicContact CE1-CB 4.41Å; F39-H292 AromaticContact CE1-CD2 3.47Å; F39-H292 VanDerWaalsContact CE1-CD2 3.47Å; F39-H292 WeakPolarHBondContact CE1-CD2 3.44Å; F39-H292 AromaticContact CE1-CG 3.78Å; F39-H292 AromaticContact CE1-NE2 3.65Å; F39-H292 HydrophobicContact CZ-CB 4.44Å; I267-H292 HydrophobicContact CD1-CB 4.14Å; I267-H292 VanDerWaalsContact CD1-CD2 3.5Å; I267-H292 WeakPolarHBondContact CD1-CD2 3.49Å; I267-H292 WeakPolarHBondContact CD1-CE1 3.42Å; I267-H292 VanDerWaalsContact CD1-ND1 3.3Å; I267-H292 WeakPolarHBondContact CD1-ND1 3.49Å; I267-H292 VanDerWaalsContact CG2-CE1 3.5Å; I267-H292 WeakPolarHBondContact CG2-CE1 3.44Å; Y288-H292 AromaticContact CE1-CE1 3.57Å; Y288-H292 AromaticContact CZ-CE1 3.59Å; Y288-H292 PolarHBondContact O-ND1 3.37Å; I289-H292 WeakPolarHBondContact O-CA 3.49Å; I289-H292 WeakPolarHBondContact O-CB 3.27Å; I289-H292 PolarHBondContact O-N 2.95Å; L290-H292 VanDerWaalsContact C-N 3.3Å; L290-H292 PolarHBondContact O-N 3.21Å; H292-L295 PolarHBondContact O-N 3.43Å; H292-L296 VanDerWaalsContact O-CB 3.27Å; H292-L296 WeakPolarHBondContact O-CB 3.42Å; H292-L296 PolarHBondContact O-N 2.83Å
293	Q	97.9	Very high	96.8	Very high	58 Å²	58	32 Å²	32	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-42.8	178.5	-71.9	174	-34.8	0	0	112.2	Y28 P214 I289 L290 L296 E297	Y28-Q293 HydrophobicContact CE2-CG 3.69Å; Y28-Q293 WeakPolarHBondContact OH-CG 3.45Å; Y28-Q293 PolarHBondContact OH-NE2 3.37Å; P214-Q293 HydrophobicContact CB-CB 4.11Å; P214-Q293 HydrophobicContact CG-CB 3.68Å; I289-Q293 HydrophobicContact CG2-CG 4.19Å; I289-Q293 WeakPolarHBondContact O-CG 3.35Å; I289-Q293 PolarHBondContact O-N 2.89Å; L290-Q293 PolarHBondContact O-N 2.94Å; Q293-L296 PolarHBondContact O-N 3.11Å; Q293-E297 WeakPolarHBondContact O-CB 3.29Å; Q293-E297 PolarHBondContact O-N 3.17Å
294	A	97.9	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-42.1	178.4	0	0	0	0	0	112	P214 L218 I252 L290 I291 E297 H298	P214-A294 HydrophobicContact CB-CB 4.32Å; L218-A294 HydrophobicContact CD2-CB 4.26Å; L218-A294 HydrophobicContact CG-CB 4.45Å; I252-A294 HydrophobicContact CD1-CB 3.87Å; I252-A294 HydrophobicContact CG1-CB 4.02Å; I252-A294 HydrophobicContact CG2-CB 4.17Å; L290-A294 WeakPolarHBondContact O-CB 3.45Å; L290-A294 PolarHBondContact O-N 3.39Å; I291-A294 PolarHBondContact O-N 3.17Å; A294-E297 WeakPolarHBondContact O-CB 3.42Å; A294-E297 PolarHBondContact O-N 3.15Å; A294-H298 PolarHBondContact O-N 3.05Å; A294-H298 VanDerWaalsContact O-N 3.07Å
295	L	97.8	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-38.4	177.7	-64.5	164.5	0	0	0	111.6	M255 M256 I265 I267 I291 H292 N299	M255-L295 HydrophobicContact CB-CD1 3.49Å; M255-L295 VanDerWaalsContact CB-CD1 3.49Å; M255-L295 HydrophobicContact CB-CD2 3.87Å; M255-L295 HydrophobicContact CB-CG 4.32Å; M255-L295 HydrophobicContact CG-CD1 4.31Å; M256-L295 HydrophobicContact CB-CD2 4.31Å; M256-L295 HydrophobicContact CG-CD2 3.65Å; M256-L295 HydrophobicContact SD-CD2 3.58Å; M256-L295 VanDerWaalsContact SD-CD2 3.58Å; I265-L295 HydrophobicContact CD1-CB 4.14Å; I265-L295 HydrophobicContact CD1-CD1 3.67Å; I265-L295 HydrophobicContact CD1-CG 4.47Å; I267-L295 HydrophobicContact CD1-CD1 3.58Å; I267-L295 HydrophobicContact CG1-CD1 3.71Å; I291-L295 HydrophobicContact CG2-CD1 3.81Å; I291-L295 WeakPolarHBondContact O-CD1 3.35Å; I291-L295 VanDerWaalsContact O-CG 3.26Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.32Å; I291-L295 VanDerWaalsContact O-N 3.14Å; H292-L295 PolarHBondContact O-N 3.43Å; L295-N299 VanDerWaalsContact O-CB 3.26Å; L295-N299 WeakPolarHBondContact O-CB 3.37Å; L295-N299 PolarHBondContact O-N 3.44Å
296	L	96.9	Very high	96.6	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.073	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.3	174	179.1	63.2	0	0	0	111.6	L24 L25 Y28 H292 Q293 H298 N299 Q300	L24-L296 HydrophobicContact CB-CD1 4.14Å; L25-L296 HydrophobicContact CB-CD1 3.86Å; L25-L296 HydrophobicContact CD1-CD1 4.05Å; L25-L296 HydrophobicContact CD1-CD2 3.97Å; Y28-L296 HydrophobicContact CD1-CD2 3.67Å; Y28-L296 HydrophobicContact CD2-CD2 4.48Å; Y28-L296 HydrophobicContact CE1-CD2 4.3Å; Y28-L296 HydrophobicContact CG-CD2 3.78Å; H292-L296 VanDerWaalsContact O-CB 3.27Å; H292-L296 WeakPolarHBondContact O-CB 3.42Å; H292-L296 PolarHBondContact O-N 2.83Å; Q293-L296 PolarHBondContact O-N 3.11Å; L296-H298 VanDerWaalsContact C-N 3.33Å; L296-H298 PolarHBondContact O-N 2.61Å; L296-N299 PolarHBondContact O-N 3.02Å; L296-N299 VanDerWaalsContact O-N 3.17Å; L296-Q300 HydrophobicContact CD1-CG 3.86Å; L296-Q300 HydrophobicContact CG-CG 4.31Å; L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.28Å
297	E	95.8	Very high	96.5	Very high	16 Å²	16	25 Å²	25	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-54.7	-49.4	176.3	176	72.1	-161.8	0	0	110.7	P214 H215 L218 Q293 A294 F301 Q576 K579	P214-E297 HydrophobicContact CB-CB 4.45Å; H215-E297 HydrophobicContact CB-CG 4.33Å; L218-E297 HydrophobicContact CD1-CB 4.17Å; L218-E297 HydrophobicContact CD1-CG 3.85Å; Q293-E297 WeakPolarHBondContact O-CB 3.29Å; Q293-E297 PolarHBondContact O-N 3.17Å; A294-E297 WeakPolarHBondContact O-CB 3.42Å; A294-E297 PolarHBondContact O-N 3.15Å; E297-F301 VanDerWaalsContact CD-CD2 3.42Å; E297-F301 HydrophobicContact CG-CD2 4.27Å; E297-F301 WeakPolarHBondContact O-CB 3.4Å; E297-F301 VanDerWaalsContact O-CD2 3.25Å; E297-F301 WeakPolarHBondContact O-CD2 3.43Å; E297-F301 PolarHBondContact O-N 3.46Å; E297-F301 WeakPolarHBondContact OE1-CD2 3.46Å; E297-F301 WeakPolarHBondContact OE2-CD2 3.25Å; E297-F301 WeakPolarHBondContact OE2-CE2 2.9Å; E297-Q576 PolarHBondContact OE1-NE2 2.76Å; E297-Q576 VanDerWaalsContact OE1-NE2 3.1Å; E297-Q576 PolarHBondContact OE1-OE1 3.31Å; E297-K579 IonicContact OE1-NZ 3.55Å; E297-K579 PolarHBondContact OE1-NZ 3.15Å; E297-K579 IonicContact OE2-NZ 2.7Å; E297-K579 PolarHBondContact OE2-NZ 2.98Å
298	H	95.8	Very high	96.3	Very high	41 Å²	41	25 Å²	25	19%	0.19	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-43.5	175.6	-179	76.3	0	0	0	112.4	L218 M256 A294 L296 Q300 G302	L218-H298 HydrophobicContact CD1-CB 3.96Å; L218-H298 HydrophobicContact CD2-CB 4.38Å; M256-H298 HydrophobicContact CE-CB 3.85Å; M256-H298 WeakPolarHBondContact CE-CD2 3.4Å; M256-H298 WeakPolarHBondContact CE-NE2 3.44Å; M256-H298 HydrophobicContact SD-CB 3.72Å; A294-H298 PolarHBondContact O-N 3.05Å; A294-H298 VanDerWaalsContact O-N 3.07Å; L296-H298 VanDerWaalsContact C-N 3.33Å; L296-H298 PolarHBondContact O-N 2.61Å; H298-Q300 VanDerWaalsContact C-N 3.31Å; H298-Q300 PolarHBondContact O-N 3.1Å; H298-G302 WeakPolarHBondContact O-CA 3.21Å; H298-G302 PolarHBondContact O-N 3.37Å
299	N	95.6	Very high	96	Very high	59 Å²	59	29.2 Å²	29.2	32%	0.316	16%	0.16	S	C	.	.	H	α-helix	trans	-63.2	-35.9	-179	-174.6	72.3	0	0	0	113	A21 L24 L259 L295 L296	A21-N299 PolarHBondContact O-ND2 3.05Å; L24-N299 HydrophobicContact CD1-CB 3.81Å; L259-N299 HydrophobicContact CD2-CB 4.36Å; L295-N299 VanDerWaalsContact O-CB 3.26Å; L295-N299 WeakPolarHBondContact O-CB 3.37Å; L295-N299 PolarHBondContact O-N 3.44Å; L296-N299 PolarHBondContact O-N 3.02Å; L296-N299 VanDerWaalsContact O-N 3.17Å
300	Q	94.1	Very high	95.8	Very high	45 Å²	45	33.2 Å²	33.2	21%	0.21	18%	0.179	C	C	.	.	H	α-helix	trans	-81.2	-39.8	179.9	-67.8	-171.1	-76.7	0	0	112.8	L296 H298	L296-Q300 HydrophobicContact CD1-CG 3.86Å; L296-Q300 HydrophobicContact CG-CG 4.31Å; L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.28Å; H298-Q300 VanDerWaalsContact C-N 3.31Å; H298-Q300 PolarHBondContact O-N 3.1Å
301	F	94.9	Very high	95.7	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.044	18%	0.179	C	C	.	.	H	α-helix	trans	-113.2	-14.5	-166.8	-52.3	-53.7	0	0	0	113.9	E297 T304 R336 P338 F575 K579	E297-F301 VanDerWaalsContact CD-CD2 3.42Å; E297-F301 HydrophobicContact CG-CD2 4.27Å; E297-F301 WeakPolarHBondContact O-CB 3.4Å; E297-F301 VanDerWaalsContact O-CD2 3.25Å; E297-F301 WeakPolarHBondContact O-CD2 3.43Å; E297-F301 PolarHBondContact O-N 3.46Å; E297-F301 WeakPolarHBondContact OE1-CD2 3.46Å; E297-F301 WeakPolarHBondContact OE2-CD2 3.25Å; E297-F301 WeakPolarHBondContact OE2-CE2 2.9Å; F301-T304 WeakPolarHBondContact O-CG2 3.48Å; F301-R336 VanDerWaalsContact C-NH1 3.29Å; F301-R336 PolarHBondContact O-NH1 3.41Å; F301-P338 HydrophobicContact CE1-CG 4.36Å; F301-P338 HydrophobicContact CZ-CG 4.18Å; F301-F575 HydrophobicContact CB-CD1 4.46Å; F301-F575 HydrophobicContact CB-CE1 3.62Å; F301-F575 HydrophobicContact CB-CZ 4.02Å; F301-F575 AromaticContact CD1-CE1 3.71Å; F301-F575 HydrophobicContact CD1-CE1 3.71Å; F301-F575 AromaticContact CD1-CZ 3.42Å; F301-F575 HydrophobicContact CD1-CZ 3.42Å; F301-F575 VanDerWaalsContact CD1-CZ 3.42Å; F301-F575 HydrophobicContact CE1-CZ 4.16Å; F301-F575 AromaticContact CG-CE1 3.7Å; F301-F575 HydrophobicContact CG-CE1 3.7Å; F301-F575 AromaticContact CG-CZ 3.92Å; F301-F575 HydrophobicContact CG-CZ 3.92Å; F301-K579 HydrophobicContact CE2-CD 4.39Å
302	G	93	Very high	95.5	Very high	26 Å²	26	35.2 Å²	35.2	27%	0.268	19%	0.188	S	C	.	.			trans	65.2	-157.9	179.2	0	0	0	0	0	113.4	H298	H298-G302 WeakPolarHBondContact O-CA 3.21Å; H298-G302 PolarHBondContact O-N 3.37Å
303	E	93	Very high	95.4	Very high	128 Å²	128	38.1 Å²	38.1	60%	0.598	21%	0.209	S	C	*	.			trans	-101.5	113.7	171.8	-175	169.3	-175.6	0	0	109.3	R222	R222-E303 WeakPolarHBondContact CD-OE1 3.01Å
304	T	95.5	Very high	95.2	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.037	21%	0.209	C	C	.	.			trans	-115	4.7	-175.8	52.2	0	0	0	0	112.8	F301 D573 F575	F301-T304 WeakPolarHBondContact O-CG2 3.48Å; T304-D573 PolarHBondContact OG1-OD1 3.27Å; T304-D573 PolarHBondContact OG1-OD2 3.36Å; T304-F575 HydrophobicContact CG2-CB 3.75Å; T304-F575 HydrophobicContact CG2-CD1 4.09Å; T304-F575 HydrophobicContact CG2-CD2 4.35Å; T304-F575 HydrophobicContact CG2-CG 3.81Å
305	E	95.8	Very high	95.1	Very high	32 Å²	32	37.3 Å²	37.3	15%	0.15	21%	0.209	C	C	.	.			trans	-79.6	135.5	177.9	-174.4	170.1	63.5	0	0	110.1	R222 R223 L571 D573	R222-E305 IonicContact CZ-OE1 2.72Å; R222-E305 IonicContact NE-OE1 2.81Å; R222-E305 PolarHBondContact NE-OE1 2.8Å; R222-E305 IonicContact NH2-OE1 2.66Å; R222-E305 IonicContact NH2-OE2 2.87Å; R223-E305 IonicContact CZ-OE1 3.48Å; R223-E305 IonicContact CZ-OE2 2.75Å; R223-E305 IonicContact NH1-OE1 2.8Å; R223-E305 PolarHBondContact NH1-OE1 3.43Å; R223-E305 IonicContact NH1-OE2 2.72Å; R223-E305 IonicContact NH2-OE1 3.58Å; R223-E305 PolarHBondContact NH2-OE1 2.86Å; R223-E305 IonicContact NH2-OE2 3.48Å; R223-E305 PolarHBondContact NH2-OE2 3.44Å; E305-L571 HydrophobicContact CG-CB 4.15Å; E305-L571 HydrophobicContact CG-CD2 4.04Å; E305-D573 HydrophobicContact CB-CB 4.35Å
306	I	96.3	Very high	95	Very high	10 Å²	10	41 Å²	41	5%	0.051	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.6	-176.2	-53.9	173.2	0	0	0	108.8	L311 T314 L318 L571 V572 Y599	I306-L311 HydrophobicContact CG2-CB 4.38Å; I306-L311 HydrophobicContact CG2-CD1 4.24Å; I306-T314 HydrophobicContact CD1-CG2 3.76Å; I306-T314 HydrophobicContact CG1-CG2 4.07Å; I306-T314 HydrophobicContact CG2-CG2 4.28Å; I306-L318 HydrophobicContact CD1-CD1 4.32Å; I306-L571 WeakPolarHBondContact O-CA 3.31Å; I306-V572 HydrophobicContact CB-CG2 4.14Å; I306-V572 PolarHBondContact N-O 3.24Å; I306-V572 PolarHBondContact O-N 2.95Å; I306-Y599 HydrophobicContact CD1-CE1 3.83Å
307	S	95.3	Very high	94.9	Very high	33 Å²	33	43.7 Å²	43.7	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.8	168.6	175.9	0	0	0	0	110.4	S309 E310 L311 L571	S307-S309 PolarHBondContact O-N 3.05Å; S307-S309 VanDerWaalsContact O-N 3.13Å; S307-S309 PolarHBondContact OG-N 3.18Å; S307-S309 PolarHBondContact OG-OG 3.1Å; S307-E310 CarbonylContact O-C 3.57Å; S307-E310 PolarHBondContact O-N 3.17Å; S307-L311 PolarHBondContact O-N 3.42Å; S307-L571 VanDerWaalsContact CA-CD2 3.44Å
308	L	94.6	Very high	94.9	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.4	173.5	-74	-173	0	0	0	112	E310 L311 A566 K570 V572 F606 V613	L308-E310 PolarHBondContact O-N 3.28Å; L308-L311 HydrophobicContact CD2-CD2 4.16Å; L308-A566 HydrophobicContact CD1-CB 4.07Å; L308-A566 WeakPolarHBondContact CD1-O 3.4Å; L308-A566 HydrophobicContact CD2-CB 4.09Å; L308-A566 HydrophobicContact CG-CB 4.47Å; L308-K570 WeakPolarHBondContact CB-O 3.4Å; L308-K570 HydrophobicContact CD1-CB 4.28Å; L308-K570 HydrophobicContact CD1-CD 4.3Å; L308-K570 WeakPolarHBondContact CG-O 3.37Å; L308-K570 PolarHBondContact N-O 3.16Å; L308-V572 HydrophobicContact CD2-CG1 4.05Å; L308-F606 HydrophobicContact CD1-CD1 4Å; L308-F606 HydrophobicContact CD1-CE1 4.03Å; L308-F606 HydrophobicContact CD2-CD1 4.45Å; L308-F606 HydrophobicContact CD2-CD2 4.19Å; L308-F606 HydrophobicContact CD2-CG 4.16Å; L308-V613 HydrophobicContact CB-CG1 4.27Å; L308-V613 VanDerWaalsContact O-CB 3.29Å; L308-V613 WeakPolarHBondContact O-CB 3.49Å; L308-V613 WeakPolarHBondContact O-CG1 3.29Å; L308-V613 WeakPolarHBondContact O-CG2 3.46Å
309	S	93.2	Very high	94.8	Very high	88 Å²	88	46.3 Å²	46.3	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.1	176.3	61	0	0	0	0	113.5	S307	S307-S309 PolarHBondContact O-N 3.05Å; S307-S309 VanDerWaalsContact O-N 3.13Å; S307-S309 PolarHBondContact OG-N 3.18Å; S307-S309 PolarHBondContact OG-OG 3.1Å
310	E	94.2	Very high	94.6	Very high	107 Å²	107	49.1 Å²	49.1	50%	0.5	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-9.6	-175.2	-64.3	176.3	161.2	0	0	112.7	S307 L308 H312 S313 T314	S307-E310 CarbonylContact O-C 3.57Å; S307-E310 PolarHBondContact O-N 3.17Å; L308-E310 PolarHBondContact O-N 3.28Å; E310-H312 VanDerWaalsContact C-N 3.35Å; E310-H312 PolarHBondContact O-N 3.15Å; E310-H312 VanDerWaalsContact O-N 3.15Å; E310-S313 PolarHBondContact O-N 3.06Å; E310-S313 PolarHBondContact O-OG 3.45Å; E310-T314 PolarHBondContact O-N 2.98Å; E310-T314 PolarHBondContact O-OG1 3.26Å
311	L	95.3	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-44.7	-52	-173.4	179.6	62.4	0	0	0	114.1	I306 S307 L308 L315 V572 L602 F606	I306-L311 HydrophobicContact CG2-CB 4.38Å; I306-L311 HydrophobicContact CG2-CD1 4.24Å; S307-L311 PolarHBondContact O-N 3.42Å; L308-L311 HydrophobicContact CD2-CD2 4.16Å; L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 PolarHBondContact O-N 3.04Å; L311-V572 HydrophobicContact CD1-CG2 4.06Å; L311-L602 HydrophobicContact CD2-CB 4.28Å; L311-F606 HydrophobicContact CD2-CB 4.33Å
312	H	94.9	Very high	93.6	Very high	41 Å²	41	57.8 Å²	57.8	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-38.1	-177.4	-74.1	-94.7	0	0	0	112.8	E310 S316 E603 F606 V608	E310-H312 VanDerWaalsContact C-N 3.35Å; E310-H312 PolarHBondContact O-N 3.15Å; E310-H312 VanDerWaalsContact O-N 3.15Å; H312-S316 PolarHBondContact O-N 2.95Å; H312-S316 PolarHBondContact O-OG 2.83Å; H312-E603 PolarHBondContact CE1-O 3.35Å; H312-F606 PolarHBondContact NE2-O 3.23Å; H312-V608 HydrophobicContact CB-CG2 3.93Å; H312-V608 WeakPolarHBondContact CD2-CG2 3.39Å; H312-V608 VanDerWaalsContact CG-CG2 3.49Å
313	S	95.2	Very high	93.3	Very high	73 Å²	73	58.5 Å²	58.5	51%	0.51	32%	0.318	S	S	.	.	H	α-helix	trans	-69.4	-45.7	177.5	56.1	0	0	0	0	111.5	E310 L315 S316 T317	E310-S313 PolarHBondContact O-N 3.06Å; E310-S313 PolarHBondContact O-OG 3.45Å; S313-L315 VanDerWaalsContact C-N 3.33Å; S313-L315 PolarHBondContact O-N 3.45Å; S313-S316 WeakPolarHBondContact O-CB 3.45Å; S313-S316 PolarHBondContact O-N 3.18Å; S313-T317 PolarHBondContact O-N 3.01Å; S313-T317 VanDerWaalsContact O-N 3.15Å; S313-T317 PolarHBondContact O-OG1 3.09Å
314	T	95.2	Very high	92.6	Very high	42 Å²	42	59.7 Å²	59.7	26%	0.258	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-42.7	176.6	-54	0	0	0	0	110.8	I306 E310 S316 T317 L318	I306-T314 HydrophobicContact CD1-CG2 3.76Å; I306-T314 HydrophobicContact CG1-CG2 4.07Å; I306-T314 HydrophobicContact CG2-CG2 4.28Å; E310-T314 PolarHBondContact O-N 2.98Å; E310-T314 PolarHBondContact O-OG1 3.26Å; T314-S316 VanDerWaalsContact C-N 3.32Å; T314-S316 PolarHBondContact O-N 3.15Å; T314-T317 WeakPolarHBondContact O-CB 3.44Å; T314-T317 PolarHBondContact O-N 3.38Å; T314-T317 VanDerWaalsContact O-N 3.16Å; T314-L318 HydrophobicContact CG2-CD1 4.19Å; T314-L318 HydrophobicContact CG2-CG 4.32Å; T314-L318 WeakPolarHBondContact O-CB 3.49Å; T314-L318 WeakPolarHBondContact O-CG 3.33Å; T314-L318 PolarHBondContact O-N 3.41Å
315	L	94.8	Very high	92	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-35.6	178.3	-174.5	56.6	0	0	0	112.9	L311 S313 T317 L318 K319 M330 Y599 E603	L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 PolarHBondContact O-N 3.04Å; S313-L315 VanDerWaalsContact C-N 3.33Å; S313-L315 PolarHBondContact O-N 3.45Å; L315-T317 VanDerWaalsContact C-N 3.33Å; L315-L318 PolarHBondContact O-N 3.29Å; L315-K319 HydrophobicContact CD1-CD 4.2Å; L315-K319 HydrophobicContact CD1-CG 4.25Å; L315-K319 HydrophobicContact CG-CD 4.11Å; L315-K319 WeakPolarHBondContact O-CB 3.38Å; L315-K319 VanDerWaalsContact O-CG 3.31Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.31Å; L315-M330 HydrophobicContact CD1-CE 3.38Å; L315-Y599 HydrophobicContact CD1-CD1 3.79Å; L315-Y599 HydrophobicContact CD1-CG 3.97Å; L315-E603 HydrophobicContact CD2-CB 3.68Å; L315-E603 HydrophobicContact CD2-CG 3.8Å; L315-E603 WeakPolarHBondContact CD2-OE1 3.39Å; L315-E603 WeakPolarHBondContact CD2-OE2 3.19Å
316	S	94.9	Very high	91.7	Very high	76 Å²	76	67.9 Å²	67.9	53%	0.531	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-43.5	173.6	-60.9	0	0	0	0	111	H312 S313 T314 K319 Q320	H312-S316 PolarHBondContact O-N 2.95Å; H312-S316 PolarHBondContact O-OG 2.83Å; S313-S316 WeakPolarHBondContact O-CB 3.45Å; S313-S316 PolarHBondContact O-N 3.18Å; T314-S316 VanDerWaalsContact C-N 3.32Å; T314-S316 PolarHBondContact O-N 3.15Å; S316-K319 PolarHBondContact O-N 2.98Å; S316-Q320 PolarHBondContact O-N 3.38Å; S316-Q320 VanDerWaalsContact O-N 3.15Å
317	T	95.5	Very high	91.5	Very high	71 Å²	71	70.5 Å²	70.5	44%	0.436	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-43.7	175.2	-54.4	0	0	0	0	111.8	S313 T314 L315 K319 Q320 L329	S313-T317 PolarHBondContact O-N 3.01Å; S313-T317 VanDerWaalsContact O-N 3.15Å; S313-T317 PolarHBondContact O-OG1 3.09Å; T314-T317 WeakPolarHBondContact O-CB 3.44Å; T314-T317 PolarHBondContact O-N 3.38Å; T314-T317 VanDerWaalsContact O-N 3.16Å; L315-T317 VanDerWaalsContact C-N 3.33Å; T317-K319 VanDerWaalsContact C-N 3.28Å; T317-K319 PolarHBondContact O-N 3.41Å; T317-Q320 WeakPolarHBondContact O-CB 3.44Å; T317-Q320 PolarHBondContact O-N 3.1Å; T317-Q320 VanDerWaalsContact O-N 3.13Å; T317-L329 HydrophobicContact CG2-CD1 3.99Å
318	L	95.1	Very high	91.5	Very high	15 Å²	15	69.7 Å²	69.7	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-35.1	179.4	-75.8	176.6	0	0	0	112.9	I306 T314 L315 T328 L329 M330 Y599	I306-L318 HydrophobicContact CD1-CD1 4.32Å; T314-L318 HydrophobicContact CG2-CD1 4.19Å; T314-L318 HydrophobicContact CG2-CG 4.32Å; T314-L318 WeakPolarHBondContact O-CB 3.49Å; T314-L318 WeakPolarHBondContact O-CG 3.33Å; T314-L318 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 3.29Å; L318-T328 WeakPolarHBondContact O-CB 3.22Å; L318-L329 HydrophobicContact CD2-CB 3.87Å; L318-M330 HydrophobicContact CB-CB 4.19Å; L318-M330 HydrophobicContact CB-CE 3.9Å; L318-M330 HydrophobicContact CD1-CE 4.14Å; L318-M330 WeakPolarHBondContact O-CB 3.43Å; L318-M330 PolarHBondContact O-N 3.1Å; L318-M330 VanDerWaalsContact O-N 3.12Å; L318-Y599 HydrophobicContact CD1-CE1 4.03Å
319	K	94.3	Very high	91.6	Very high	98 Å²	98	72.9 Å²	72.9	43%	0.426	41%	0.407	S	S	.	.	H	α-helix	trans	-84.5	-12.4	177.7	-68.8	171.2	180	166.8	0	113.3	L315 S316 T317 K321 M330 E603	L315-K319 HydrophobicContact CD1-CD 4.2Å; L315-K319 HydrophobicContact CD1-CG 4.25Å; L315-K319 HydrophobicContact CG-CD 4.11Å; L315-K319 WeakPolarHBondContact O-CB 3.38Å; L315-K319 VanDerWaalsContact O-CG 3.31Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.31Å; S316-K319 PolarHBondContact O-N 2.98Å; T317-K319 VanDerWaalsContact C-N 3.28Å; T317-K319 PolarHBondContact O-N 3.41Å; K319-K321 PolarHBondContact O-N 2.97Å; K319-M330 HydrophobicContact CG-CE 4.5Å; K319-E603 IonicContact NZ-OE1 3.31Å; K319-E603 PolarHBondContact NZ-OE1 2.95Å; K319-E603 IonicContact NZ-OE2 2.83Å; K319-E603 PolarHBondContact NZ-OE2 2.82Å
320	Q	92.3	Very high	91.7	Very high	118 Å²	118	68.9 Å²	68.9	55%	0.551	38%	0.378	S	S	*	.			trans	-69.1	130.4	-175	-173.8	174.4	-5.1	0	0	110.4	S316 T317	S316-Q320 PolarHBondContact O-N 3.38Å; S316-Q320 VanDerWaalsContact O-N 3.15Å; T317-Q320 WeakPolarHBondContact O-CB 3.44Å; T317-Q320 PolarHBondContact O-N 3.1Å; T317-Q320 VanDerWaalsContact O-N 3.13Å
321	K	88.9	Confident	91.8	Very high	105 Å²	105	66.7 Å²	66.7	46%	0.457	37%	0.368	S	S	.	.			trans	-104.1	122.5	177.3	-160.6	175.2	-170.2	-173.1	0	109.9	K319 S323 D324 E326 T328	K319-K321 PolarHBondContact O-N 2.97Å; K321-S323 WeakPolarHBondContact CE-O 3.31Å; K321-S323 WeakPolarHBondContact CG-O 3.28Å; K321-D324 WeakPolarHBondContact CE-O 3.36Å; K321-D324 PolarHBondContact NZ-O 2.92Å; K321-E326 WeakPolarHBondContact CE-O 3.35Å; K321-T328 HydrophobicContact CB-CG2 4.18Å; K321-T328 HydrophobicContact CG-CG2 4.32Å
322	N	79.2	Confident	91.8	Very high	132 Å²	132	71.1 Å²	71.1	71%	0.706	39%	0.389	S	S	*	.	S	Bend	trans	-78.8	-38.2	-179.8	-70.5	-28.6	0	0	0	112.3
323	S	85.6	Confident	91.9	Very high	41 Å²	41	69.7 Å²	69.7	29%	0.287	38%	0.382	S	S	.	.	S	Bend	trans	-151.4	156.9	177	67.2	0	0	0	0	110.3	K321 S325 E326	K321-S323 WeakPolarHBondContact CE-O 3.31Å; K321-S323 WeakPolarHBondContact CG-O 3.28Å; S323-S325 PolarHBondContact O-N 2.91Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.95Å; S323-E326 PolarHBondContact O-N 3.12Å; S323-E326 WeakPolarHBondContact OG-CB 3.46Å; S323-E326 VanDerWaalsContact OG-CD 3.29Å; S323-E326 VanDerWaalsContact OG-CG 3.28Å; S323-E326 WeakPolarHBondContact OG-CG 3.47Å; S323-E326 PolarHBondContact OG-OE2 3.47Å
324	D	79.6	Confident	92	Very high	153 Å²	153	67.1 Å²	67.1	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.2	-176.4	-77.2	-34.3	0	0	0	114.4	K321	K321-D324 WeakPolarHBondContact CE-O 3.36Å; K321-D324 PolarHBondContact NZ-O 2.92Å
325	S	82.1	Confident	92.1	Very high	111 Å²	111	72.1 Å²	72.1	78%	0.776	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.8	-178.1	50.7	0	0	0	0	115.2	S323	S323-S325 PolarHBondContact O-N 2.91Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.95Å
326	E	89.2	Confident	92.1	Very high	98 Å²	98	76.7 Å²	76.7	46%	0.458	40%	0.4	S	S	.	.	S	Bend	trans	-94.6	140.3	-178.2	-74.2	170.2	162.7	0	0	110.8	K321 S323	K321-E326 WeakPolarHBondContact CE-O 3.35Å; S323-E326 PolarHBondContact O-N 3.12Å; S323-E326 WeakPolarHBondContact OG-CB 3.46Å; S323-E326 VanDerWaalsContact OG-CD 3.29Å; S323-E326 VanDerWaalsContact OG-CG 3.28Å; S323-E326 WeakPolarHBondContact OG-CG 3.47Å; S323-E326 PolarHBondContact OG-OE2 3.47Å
327	P	92.6	Very high	92.2	Very high	66 Å²	66	73.5 Å²	73.5	43%	0.429	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-63.3	150	170.1	29.4	-33.6	0	0	0	110.1	E331 E332	P327-E331 WeakPolarHBondContact CA-OE2 3.48Å; P327-E331 HydrophobicContact CB-CB 3.83Å; P327-E332 HydrophobicContact CB-CG 4.14Å; P327-E332 HydrophobicContact CG-CG 3.82Å
328	T	95.6	Very high	92.1	Very high	16 Å²	16	70.4 Å²	70.4	10%	0.098	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-69.9	159.6	166.7	59.9	0	0	0	0	110.3	L318 K321 M330 E331 E332	L318-T328 WeakPolarHBondContact O-CB 3.22Å; K321-T328 HydrophobicContact CB-CG2 4.18Å; K321-T328 HydrophobicContact CG-CG2 4.32Å; T328-M330 PolarHBondContact O-N 2.84Å; T328-E331 PolarHBondContact N-OE2 3.33Å; T328-E331 WeakPolarHBondContact O-CB 3.19Å; T328-E331 PolarHBondContact O-N 3.36Å; T328-E331 WeakPolarHBondContact OG1-CG 3.48Å; T328-E331 PolarHBondContact OG1-N 3.45Å; T328-E331 PolarHBondContact OG1-OE2 3.48Å; T328-E332 PolarHBondContact O-N 2.63Å
329	L	95.5	Very high	91.6	Very high	80 Å²	80	71.6 Å²	71.6	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-29.2	176.3	-63.3	174.8	0	0	0	112.2	T317 L318 E333	T317-L329 HydrophobicContact CG2-CD1 3.99Å; L318-L329 HydrophobicContact CD2-CB 3.87Å; L329-E333 VanDerWaalsContact O-CB 3.26Å; L329-E333 WeakPolarHBondContact O-CB 3.37Å; L329-E333 PolarHBondContact O-N 3.31Å
330	M	96.4	Very high	91.4	Very high	4 Å²	4	68 Å²	68	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-68	-38.1	172.7	-172.1	170	-72.2	0	0	112.7	L315 L318 K319 T328 E333 F334 Y595 Q596 Y599	L315-M330 HydrophobicContact CD1-CE 3.38Å; L318-M330 HydrophobicContact CB-CB 4.19Å; L318-M330 HydrophobicContact CB-CE 3.9Å; L318-M330 HydrophobicContact CD1-CE 4.14Å; L318-M330 WeakPolarHBondContact O-CB 3.43Å; L318-M330 PolarHBondContact O-N 3.1Å; L318-M330 VanDerWaalsContact O-N 3.12Å; K319-M330 HydrophobicContact CG-CE 4.5Å; T328-M330 PolarHBondContact O-N 2.84Å; M330-E333 PolarHBondContact O-N 3.38Å; M330-F334 WeakPolarHBondContact O-CB 3.18Å; M330-F334 PolarHBondContact O-N 3.1Å; M330-Y595 HydrophobicContact CG-CD1 4.25Å; M330-Y595 HydrophobicContact CG-CE1 4.25Å; M330-Q596 HydrophobicContact SD-CB 4.4Å; M330-Q596 HydrophobicContact SD-CG 3.6Å; M330-Q596 VanDerWaalsContact SD-CG 3.6Å; M330-Y599 HydrophobicContact CE-CD1 4.21Å; M330-Y599 HydrophobicContact CE-CD2 3.5Å; M330-Y599 HydrophobicContact CE-CE2 3.92Å; M330-Y599 HydrophobicContact CE-CG 3.65Å; M330-Y599 HydrophobicContact SD-CD2 4.07Å
331	E	96.3	Very high	90.9	Very high	61 Å²	61	68.3 Å²	68.3	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-45.1	173.9	-77.7	162.7	149.4	0	0	110.4	P327 T328 E333 F334 E335 L592	P327-E331 WeakPolarHBondContact CA-OE2 3.48Å; P327-E331 HydrophobicContact CB-CB 3.83Å; T328-E331 PolarHBondContact N-OE2 3.33Å; T328-E331 WeakPolarHBondContact O-CB 3.19Å; T328-E331 PolarHBondContact O-N 3.36Å; T328-E331 WeakPolarHBondContact OG1-CG 3.48Å; T328-E331 PolarHBondContact OG1-N 3.45Å; T328-E331 PolarHBondContact OG1-OE2 3.48Å; E331-E333 VanDerWaalsContact C-N 3.33Å; E331-E333 PolarHBondContact O-N 2.81Å; E331-F334 PolarHBondContact O-N 3.45Å; E331-E335 WeakPolarHBondContact O-CG 3.44Å; E331-E335 PolarHBondContact O-N 3.44Å; E331-L592 HydrophobicContact CG-CD1 4.08Å; E331-L592 HydrophobicContact CG-CD2 3.55Å; E331-L592 HydrophobicContact CG-CG 4.46Å
332	E	95.6	Very high	90.5	Very high	92 Å²	92	69.1 Å²	69.1	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-40	174.4	-66.1	-179	169.4	0	0	112.3	P327 T328 E335 R336	P327-E332 HydrophobicContact CB-CG 4.14Å; P327-E332 HydrophobicContact CG-CG 3.82Å; T328-E332 PolarHBondContact O-N 2.63Å; E332-E335 PolarHBondContact O-N 3.13Å; E332-R336 VanDerWaalsContact O-CG 3.3Å; E332-R336 WeakPolarHBondContact O-CG 3.41Å; E332-R336 PolarHBondContact O-N 3.06Å; E332-R336 VanDerWaalsContact O-N 3.11Å
333	E	96.6	Very high	90.7	Very high	12 Å²	12	65 Å²	65	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-44.4	173.4	-179.7	171.5	90.9	0	0	111.9	L329 M330 E331 R336 F575 Y595 Y599	L329-E333 VanDerWaalsContact O-CB 3.26Å; L329-E333 WeakPolarHBondContact O-CB 3.37Å; L329-E333 PolarHBondContact O-N 3.31Å; M330-E333 PolarHBondContact O-N 3.38Å; E331-E333 VanDerWaalsContact C-N 3.33Å; E331-E333 PolarHBondContact O-N 2.81Å; E333-R336 PolarHBondContact O-N 2.79Å; E333-R336 IonicContact OE2-NH2 2.7Å; E333-F575 HydrophobicContact CG-CB 4.46Å; E333-F575 HydrophobicContact CG-CD2 3.68Å; E333-F575 HydrophobicContact CG-CE2 4.47Å; E333-F575 HydrophobicContact CG-CG 4.48Å; E333-F575 VanDerWaalsContact O-CE2 3.26Å; E333-F575 WeakPolarHBondContact O-CE2 3.49Å; E333-Y595 HydrophobicContact CG-CE1 4.31Å; E333-Y595 WeakPolarHBondContact CG-OH 3.25Å; E333-Y595 PolarHBondContact OE1-OH 2.86Å; E333-Y599 PolarHBondContact OE1-OH 3.25Å
334	F	97.6	Very high	91	Very high	18 Å²	18	67.9 Å²	67.9	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-42.5	176.8	179	-100.2	0	0	0	112.7	M330 E331 R336 L337 R582 S591 L592 Y595	M330-F334 WeakPolarHBondContact O-CB 3.18Å; M330-F334 PolarHBondContact O-N 3.1Å; E331-F334 PolarHBondContact O-N 3.45Å; F334-R336 PolarHBondContact O-N 2.85Å; F334-L337 HydrophobicContact CD2-CD1 3.84Å; F334-L337 HydrophobicContact CE2-CD1 4.33Å; F334-L337 VanDerWaalsContact O-CB 3.31Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 3.03Å; F334-L337 VanDerWaalsContact O-N 3.09Å; F334-R582 VanDerWaalsContact CZ-NH2 3.25Å; F334-S591 WeakPolarHBondContact CE2-O 3.48Å; F334-L592 HydrophobicContact CB-CD1 3.74Å; F334-L592 HydrophobicContact CD1-CB 4.12Å; F334-L592 HydrophobicContact CD1-CD1 4.1Å; F334-L592 HydrophobicContact CE1-CB 4.18Å; F334-L592 HydrophobicContact CG-CB 4.49Å; F334-L592 HydrophobicContact CG-CD1 3.87Å; F334-Y595 HydrophobicContact CB-CD1 4.04Å; F334-Y595 HydrophobicContact CB-CE1 4.36Å; F334-Y595 HydrophobicContact CB-CG 4.49Å; F334-Y595 HydrophobicContact CD2-CD1 4Å; F334-Y595 HydrophobicContact CD2-CD2 4.02Å; F334-Y595 AromaticContact CD2-CG 3.59Å; F334-Y595 HydrophobicContact CD2-CG 3.59Å; F334-Y595 HydrophobicContact CE2-CG 4.32Å; F334-Y595 HydrophobicContact CG-CD1 4.47Å; F334-Y595 HydrophobicContact CG-CG 4.47Å
335	E	96.1	Very high	91.7	Very high	148 Å²	148	64.2 Å²	64.2	69%	0.692	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-28	178.4	-70.9	-60.3	134.3	0	0	112.4	E331 E332 L337	E331-E335 WeakPolarHBondContact O-CG 3.44Å; E331-E335 PolarHBondContact O-N 3.44Å; E332-E335 PolarHBondContact O-N 3.13Å; E335-L337 VanDerWaalsContact C-N 3.26Å; E335-L337 PolarHBondContact O-N 3.2Å
336	R	95.8	Very high	92.3	Very high	95 Å²	95	59.4 Å²	59.4	36%	0.358	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16	173.6	-73.8	-177.5	-58.6	128.9	0.6	113.8	F301 E332 E333 F334 P338 F575	F301-R336 VanDerWaalsContact C-NH1 3.29Å; F301-R336 PolarHBondContact O-NH1 3.41Å; E332-R336 VanDerWaalsContact O-CG 3.3Å; E332-R336 WeakPolarHBondContact O-CG 3.41Å; E332-R336 PolarHBondContact O-N 3.06Å; E332-R336 VanDerWaalsContact O-N 3.11Å; E333-R336 PolarHBondContact O-N 2.79Å; E333-R336 IonicContact OE2-NH2 2.7Å; F334-R336 PolarHBondContact O-N 2.85Å; R336-P338 WeakPolarHBondContact O-CD 3.23Å; R336-F575 HydrophobicContact CB-CE2 4.03Å; R336-F575 HydrophobicContact CB-CZ 4.38Å
337	L	96.2	Very high	92.5	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	29%	0.292	C	S	.	.	S	Bend	trans	-66.3	121.6	179.2	-75.6	165.2	0	0	0	110.1	F334 E335 F575 V578 K579 R582 Y595	F334-L337 HydrophobicContact CD2-CD1 3.84Å; F334-L337 HydrophobicContact CE2-CD1 4.33Å; F334-L337 VanDerWaalsContact O-CB 3.31Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 3.03Å; F334-L337 VanDerWaalsContact O-N 3.09Å; E335-L337 VanDerWaalsContact C-N 3.26Å; E335-L337 PolarHBondContact O-N 3.2Å; L337-F575 HydrophobicContact CB-CE2 4.31Å; L337-F575 HydrophobicContact CD2-CD1 4.22Å; L337-F575 HydrophobicContact CD2-CD2 3.57Å; L337-F575 HydrophobicContact CD2-CE1 4.13Å; L337-F575 HydrophobicContact CD2-CE2 3.49Å; L337-F575 VanDerWaalsContact CD2-CE2 3.49Å; L337-F575 HydrophobicContact CD2-CG 3.94Å; L337-F575 HydrophobicContact CD2-CZ 3.77Å; L337-F575 WeakPolarHBondContact CD2-O 3.4Å; L337-F575 HydrophobicContact CG-CD2 3.78Å; L337-F575 HydrophobicContact CG-CE2 3.54Å; L337-F575 HydrophobicContact CG-CZ 4.18Å; L337-V578 HydrophobicContact CD1-CB 4.3Å; L337-V578 HydrophobicContact CD1-CG1 3.64Å; L337-V578 HydrophobicContact CD2-CB 4.29Å; L337-V578 HydrophobicContact CD2-CG1 4.19Å; L337-K579 HydrophobicContact CD2-CB 3.96Å; L337-R582 PolarHBondContact O-NH1 3.22Å; L337-Y595 HydrophobicContact CD1-CD2 3.95Å; L337-Y595 HydrophobicContact CD1-CE2 3.74Å
338	P	93.2	Very high	92.6	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.039	28%	0.279	C	S	.	.			trans	-64.6	143.9	-175.8	25.7	-33.9	0	0	0	111.8	F301 R336 F340 K579 V702	F301-P338 HydrophobicContact CE1-CG 4.36Å; F301-P338 HydrophobicContact CZ-CG 4.18Å; R336-P338 WeakPolarHBondContact O-CD 3.23Å; P338-F340 HydrophobicContact CB-CE2 4.31Å; P338-F340 HydrophobicContact CB-CZ 4.3Å; P338-F340 HydrophobicContact CG-CD2 4.47Å; P338-F340 HydrophobicContact CG-CE1 4.46Å; P338-F340 HydrophobicContact CG-CE2 3.66Å; P338-F340 HydrophobicContact CG-CZ 3.65Å; P338-K579 HydrophobicContact CG-CD 4.29Å; P338-K579 HydrophobicContact CG-CG 3.93Å; P338-V702 HydrophobicContact CB-CG1 4.39Å
339	S	85.9	Confident	92.6	Very high	41 Å²	41	56.7 Å²	56.7	29%	0.287	28%	0.275	S	S	.	.			trans	-91.5	108.1	168.5	84.8	0	0	0	0	108.8	K341	S339-K341 PolarHBondContact O-N 3.22Å; S339-K341 WeakPolarHBondContact OG-CE 3.26Å
340	F	89.1	Confident	92.6	Very high	21 Å²	21	57 Å²	57	9%	0.092	28%	0.276	C	S	.	.			trans	-76.9	49	-180	-68.1	-79.6	0	0	0	112.1	P338 N342 W343 Y366 K579 R582 K583	P338-F340 HydrophobicContact CB-CE2 4.31Å; P338-F340 HydrophobicContact CB-CZ 4.3Å; P338-F340 HydrophobicContact CG-CD2 4.47Å; P338-F340 HydrophobicContact CG-CE1 4.46Å; P338-F340 HydrophobicContact CG-CE2 3.66Å; P338-F340 HydrophobicContact CG-CZ 3.65Å; F340-N342 PolarHBondContact O-N 2.9Å; F340-W343 HydrophobicContact CB-CB 3.73Å; F340-W343 HydrophobicContact CB-CG 4.15Å; F340-W343 HydrophobicContact CD1-CB 4.28Å; F340-W343 HydrophobicContact CD1-CD2 4.1Å; F340-W343 HydrophobicContact CD1-CE3 4.44Å; F340-W343 HydrophobicContact CD1-CG 4Å; F340-W343 HydrophobicContact CG-CB 4.49Å; F340-W343 HydrophobicContact CG-CG 4.47Å; F340-W343 VanDerWaalsContact O-CB 3.3Å; F340-W343 WeakPolarHBondContact O-CB 3.21Å; F340-W343 PolarHBondContact O-N 2.93Å; F340-Y366 PolarHBondContact O-OH 2.72Å; F340-Y366 VanDerWaalsContact O-OH 3.12Å; F340-K579 HydrophobicContact CE2-CG 4.11Å; F340-K579 WeakPolarHBondContact CE2-O 3.49Å; F340-K579 HydrophobicContact CZ-CG 4.14Å; F340-R582 HydrophobicContact CD2-CB 3.85Å; F340-R582 HydrophobicContact CE2-CB 4.22Å; F340-K583 HydrophobicContact CD1-CB 4.44Å; F340-K583 HydrophobicContact CD1-CG 4.22Å; F340-K583 HydrophobicContact CD2-CB 4.02Å; F340-K583 HydrophobicContact CE1-CB 4.24Å; F340-K583 HydrophobicContact CE1-CD 4.35Å; F340-K583 HydrophobicContact CE1-CG 3.99Å; F340-K583 HydrophobicContact CE2-CB 3.78Å; F340-K583 HydrophobicContact CE2-CG 4.43Å; F340-K583 HydrophobicContact CG-CB 4.34Å; F340-K583 HydrophobicContact CZ-CB 3.9Å; F340-K583 HydrophobicContact CZ-CD 4.35Å; F340-K583 HydrophobicContact CZ-CG 4.1Å
341	K	81.6	Confident	92.5	Very high	126 Å²	126	59.5 Å²	59.5	55%	0.548	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	131.2	177.6	-67.1	177.8	-171.9	166.2	0	109.4	S339 W343	S339-K341 PolarHBondContact O-N 3.22Å; S339-K341 WeakPolarHBondContact OG-CE 3.26Å; K341-W343 PolarHBondContact O-N 3.41Å
342	N	79.9	Confident	92.4	Very high	122 Å²	122	63.8 Å²	63.8	65%	0.652	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	14.8	-177.8	-54.6	-35.7	0	0	0	114.9	F340 R344 V700	F340-N342 PolarHBondContact O-N 2.9Å; N342-R344 VanDerWaalsContact C-N 3.27Å; N342-R344 PolarHBondContact O-N 2.78Å; N342-V700 HydrophobicContact CB-CG1 4.38Å; N342-V700 WeakPolarHBondContact O-CG1 3.21Å
343	W	85.3	Confident	92.3	Very high	44 Å²	44	65.4 Å²	65.4	17%	0.167	32%	0.319	C	S	.	.			trans	-51.8	-42.9	-175.9	164.6	-122.1	0	0	0	113.8	F340 K341 K583 V702	F340-W343 HydrophobicContact CB-CB 3.73Å; F340-W343 HydrophobicContact CB-CG 4.15Å; F340-W343 HydrophobicContact CD1-CB 4.28Å; F340-W343 HydrophobicContact CD1-CD2 4.1Å; F340-W343 HydrophobicContact CD1-CE3 4.44Å; F340-W343 HydrophobicContact CD1-CG 4Å; F340-W343 HydrophobicContact CG-CB 4.49Å; F340-W343 HydrophobicContact CG-CG 4.47Å; F340-W343 VanDerWaalsContact O-CB 3.3Å; F340-W343 WeakPolarHBondContact O-CB 3.21Å; F340-W343 PolarHBondContact O-N 2.93Å; K341-W343 PolarHBondContact O-N 3.41Å; W343-K583 VanDerWaalsContact CZ2-CE 3.43Å; W343-K583 HydrophobicContact CZ2-CG 4.47Å; W343-V702 HydrophobicContact CE3-CG2 4.02Å; W343-V702 HydrophobicContact CZ3-CG2 4.08Å
344	R	91.7	Very high	92.3	Very high	103 Å²	103	65.4 Å²	65.4	39%	0.389	32%	0.32	S	S	.	.	S	Bend	trans	-137.9	160.9	177.7	-65	-69.1	-173	167	6.4	110.4	N342 Y366 Y368	N342-R344 VanDerWaalsContact C-N 3.27Å; N342-R344 PolarHBondContact O-N 2.78Å; R344-Y366 HydrophobicContact CB-CD1 3.59Å; R344-Y366 HydrophobicContact CB-CE1 4.17Å; R344-Y366 HydrophobicContact CB-CG 3.89Å; R344-Y366 WeakPolarHBondContact O-CD1 3.16Å; R344-Y368 HydrophobicContact CB-CD1 4.07Å; R344-Y368 HydrophobicContact CB-CE1 4.44Å; R344-Y368 HydrophobicContact CG-CD1 3.77Å; R344-Y368 HydrophobicContact CG-CE1 3.97Å
345	T	94	Very high	92.2	Very high	75 Å²	75	69.4 Å²	69.4	46%	0.46	34%	0.337	S	S	.	.			trans	-66.9	155.5	177.2	58.6	0	0	0	0	111.3	Y366 D367	T345-Y366 WeakPolarHBondContact O-CA 3.42Å; T345-D367 WeakPolarHBondContact CB-OD2 3.46Å; T345-D367 PolarHBondContact O-N 2.93Å; T345-D367 PolarHBondContact OG1-OD2 3.46Å
346	C	93.3	Very high	92.2	Very high	10 Å²	10	68.7 Å²	68.7	7%	0.068	33%	0.331	C	S	.	.			trans	-136.4	30.9	174.9	-38.8	0	0	0	0	109.6	T348 G349 I350 I364 D367 K586	C346-T348 VanDerWaalsContact C-N 3.29Å; C346-T348 PolarHBondContact O-N 3.4Å; C346-G349 PolarHBondContact O-N 2.94Å; C346-G349 VanDerWaalsContact O-N 3.15Å; C346-I350 WeakPolarHBondContact O-CG1 3.13Å; C346-I350 PolarHBondContact O-N 3.39Å; C346-I364 HydrophobicContact CB-CB 4.45Å; C346-I364 HydrophobicContact CB-CG2 3.89Å; C346-D367 VanDerWaalsContact C-OD1 3.23Å; C346-D367 WeakPolarHBondContact CA-OD1 3.36Å; C346-D367 WeakPolarHBondContact CA-OD2 3.36Å; C346-D367 PolarHBondContact N-OD2 3.49Å; C346-K586 VanDerWaalsContact SG-CE 3.57Å; C346-K586 PolarHBondContact SG-NZ 3.34Å
347	N	94.8	Very high	92.3	Very high	98 Å²	98	65.2 Å²	65.2	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-41.4	-164.9	-67.8	-16.2	0	0	0	110.8	G349 I350 T351 D367	N347-G349 VanDerWaalsContact C-N 3.34Å; N347-G349 PolarHBondContact O-N 3.43Å; N347-I350 VanDerWaalsContact O-CG1 3.27Å; N347-I350 WeakPolarHBondContact O-CG1 3.42Å; N347-I350 PolarHBondContact O-N 2.97Å; N347-T351 WeakPolarHBondContact O-CG2 3.45Å; N347-D367 PolarHBondContact N-OD1 2.93Å; N347-D367 VanDerWaalsContact N-OD1 3.12Å; N347-D367 PolarHBondContact N-OD2 3.37Å
348	T	94.8	Very high	92.3	Very high	26 Å²	26	65.7 Å²	65.7	16%	0.16	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.5	-39.6	-179.8	-47.5	0	0	0	0	111.6	C346 I350 T351 N354 D367 R370 Y404	C346-T348 VanDerWaalsContact C-N 3.29Å; C346-T348 PolarHBondContact O-N 3.4Å; T348-I350 VanDerWaalsContact C-N 3.32Å; T348-I350 PolarHBondContact O-N 3.34Å; T348-T351 PolarHBondContact O-OG1 3.49Å; T348-N354 PolarHBondContact O-ND2 2.85Å; T348-D367 PolarHBondContact N-OD1 3.22Å; T348-D367 PolarHBondContact OG1-OD1 3.28Å; T348-R370 PolarHBondContact OG1-NE 2.99Å; T348-Y404 HydrophobicContact CG2-CD2 3.97Å
349	G	94.3	Very high	92.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-75	-19.2	-177.3	0	0	0	0	0	114.3	C346 N347 N358 Y404	C346-G349 PolarHBondContact O-N 2.94Å; C346-G349 VanDerWaalsContact O-N 3.15Å; N347-G349 VanDerWaalsContact C-N 3.34Å; N347-G349 PolarHBondContact O-N 3.43Å; G349-N358 PolarHBondContact O-ND2 2.58Å; G349-Y404 VanDerWaalsContact CA-CE2 3.41Å
350	I	95.3	Very high	92.8	Very high	86 Å²	86	69.9 Å²	69.9	44%	0.441	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-99.2	4.4	-178.2	64.2	173.2	0	0	0	114.2	C346 N347 T348 K355 I364	C346-I350 WeakPolarHBondContact O-CG1 3.13Å; C346-I350 PolarHBondContact O-N 3.39Å; N347-I350 VanDerWaalsContact O-CG1 3.27Å; N347-I350 WeakPolarHBondContact O-CG1 3.42Å; N347-I350 PolarHBondContact O-N 2.97Å; T348-I350 VanDerWaalsContact C-N 3.32Å; T348-I350 PolarHBondContact O-N 3.34Å; I350-K355 WeakPolarHBondContact O-CE 3.25Å; I350-I364 HydrophobicContact CG2-CD1 3.49Å; I350-I364 VanDerWaalsContact CG2-CD1 3.49Å
351	T	95.6	Very high	93.1	Very high	57 Å²	57	74.3 Å²	74.3	35%	0.35	37%	0.369	S	S	.	.	S	Bend	trans	-63.9	152.4	175.2	69.1	0	0	0	0	111.3	N347 T348 E353 N354 K355	N347-T351 WeakPolarHBondContact O-CG2 3.45Å; T348-T351 PolarHBondContact O-OG1 3.49Å; T351-E353 PolarHBondContact O-N 3.41Å; T351-N354 PolarHBondContact O-N 3.07Å; T351-N354 WeakPolarHBondContact OG1-CB 3.29Å; T351-N354 PolarHBondContact OG1-N 3.42Å; T351-N354 PolarHBondContact OG1-ND2 2.89Å; T351-N354 VanDerWaalsContact OG1-ND2 3.16Å; T351-K355 WeakPolarHBondContact O-CG 3.48Å; T351-K355 PolarHBondContact O-N 3.42Å
352	E	94.9	Very high	93.7	Very high	151 Å²	151	71.7 Å²	71.7	71%	0.706	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.6	178.8	-67.8	-54.8	131.5	0	0	112.7	K355	E352-K355 IonicContact OE1-NZ 3.87Å; E352-K355 PolarHBondContact OE1-NZ 3.27Å; E352-K355 IonicContact OE2-NZ 3.44Å
353	E	93.2	Very high	94.4	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.584	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-42.5	175.5	-173	-174.7	163.6	0	0	112.5	T351 K356	T351-E353 PolarHBondContact O-N 3.41Å; E353-K356 VanDerWaalsContact O-CE 3.27Å; E353-K356 WeakPolarHBondContact O-CE 3.45Å; E353-K356 WeakPolarHBondContact O-CG 3.39Å
354	N	96.1	Very high	94.9	Very high	13 Å²	13	64.7 Å²	64.7	7%	0.07	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-17.3	-171.9	-68.8	-31	0	0	0	113.7	T348 T351 K356 K357 N358 Y404	T348-N354 PolarHBondContact O-ND2 2.85Å; T351-N354 PolarHBondContact O-N 3.07Å; T351-N354 WeakPolarHBondContact OG1-CB 3.29Å; T351-N354 PolarHBondContact OG1-N 3.42Å; T351-N354 PolarHBondContact OG1-ND2 2.89Å; T351-N354 VanDerWaalsContact OG1-ND2 3.16Å; N354-K356 PolarHBondContact O-N 2.94Å; N354-K357 WeakPolarHBondContact O-CA 3.27Å; N354-K357 WeakPolarHBondContact O-CB 3.5Å; N354-K357 PolarHBondContact O-N 3.14Å; N354-K357 PolarHBondContact OD1-NZ 3.06Å; N354-N358 PolarHBondContact O-ND2 2.72Å; N354-Y404 HydrophobicContact CB-CD1 3.58Å; N354-Y404 HydrophobicContact CB-CE1 4Å; N354-Y404 HydrophobicContact CB-CG 3.96Å; N354-Y404 VanDerWaalsContact CG-CB 3.43Å; N354-Y404 VanDerWaalsContact ND2-CB 3.35Å; N354-Y404 WeakPolarHBondContact ND2-CB 3.48Å; N354-Y404 WeakPolarHBondContact OD1-CB 3.49Å
355	K	95.9	Very high	95.2	Very high	102 Å²	102	59.9 Å²	59.9	44%	0.443	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-50.8	-41.2	175.1	-84.2	176.1	-176.3	175.4	0	113	I350 T351 E352 K357 N358	I350-K355 WeakPolarHBondContact O-CE 3.25Å; T351-K355 WeakPolarHBondContact O-CG 3.48Å; T351-K355 PolarHBondContact O-N 3.42Å; E352-K355 IonicContact OE1-NZ 3.87Å; E352-K355 PolarHBondContact OE1-NZ 3.27Å; E352-K355 IonicContact OE2-NZ 3.44Å; K355-K357 VanDerWaalsContact C-N 3.25Å; K355-K357 PolarHBondContact O-N 3.45Å; K355-N358 PolarHBondContact O-N 2.91Å
356	K	95.7	Very high	95.3	Very high	132 Å²	132	56.4 Å²	56.4	57%	0.574	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.2	178.7	72.5	-167.1	175.8	-177.4	0	113.8	E353 N354 N358 L426	E353-K356 VanDerWaalsContact O-CE 3.27Å; E353-K356 WeakPolarHBondContact O-CE 3.45Å; E353-K356 WeakPolarHBondContact O-CG 3.39Å; N354-K356 PolarHBondContact O-N 2.94Å; K356-N358 VanDerWaalsContact C-N 3.29Å; K356-L426 WeakPolarHBondContact O-CD1 3.5Å
357	K	96.7	Very high	95.4	Very high	23 Å²	23	57.3 Å²	57.3	10%	0.1	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-84.2	-4.4	176.8	-58.5	178.4	-179	168.6	0	112.4	N354 K355 Y404 Q423 T429	N354-K357 WeakPolarHBondContact O-CA 3.27Å; N354-K357 WeakPolarHBondContact O-CB 3.5Å; N354-K357 PolarHBondContact O-N 3.14Å; N354-K357 PolarHBondContact OD1-NZ 3.06Å; K355-K357 VanDerWaalsContact C-N 3.25Å; K355-K357 PolarHBondContact O-N 3.45Å; K357-Y404 HydrophobicContact CB-CD1 4.11Å; K357-Y404 HydrophobicContact CB-CE1 4.2Å; K357-Y404 HydrophobicContact CD-CD1 4.07Å; K357-Q423 PolarHBondContact O-NE2 2.97Å; K357-T429 HydrophobicContact CB-CG2 3.96Å; K357-T429 HydrophobicContact CG-CG2 4.03Å
358	N	97.1	Very high	95.4	Very high	18 Å²	18	57.1 Å²	57.1	10%	0.096	29%	0.294	C	S	.	.			trans	-100	125.5	176.8	-61	-44.1	0	0	0	110.3	G349 N354 K355 K356 S360 Y404 N406	G349-N358 PolarHBondContact O-ND2 2.58Å; N354-N358 PolarHBondContact O-ND2 2.72Å; K355-N358 PolarHBondContact O-N 2.91Å; K356-N358 VanDerWaalsContact C-N 3.29Å; N358-S360 VanDerWaalsContact C-N 3.34Å; N358-Y404 VanDerWaalsContact OD1-CE1 3.28Å; N358-Y404 WeakPolarHBondContact OD1-CE1 3.2Å; N358-Y404 PolarHBondContact OD1-OH 3.36Å; N358-N406 PolarHBondContact OD1-ND2 2.5Å
359	R	95.4	Very high	95.4	Very high	100 Å²	100	56.1 Å²	56.1	38%	0.377	29%	0.288	S	S	.	.	S	Bend	trans	-71.9	-32.8	173.2	-168.9	178.3	-65.7	-94.8	3.5	112	D424 P425 L426 N547	R359-D424 PolarHBondContact NE-O 2.82Å; R359-D424 PolarHBondContact NH2-O 3.45Å; R359-P425 PolarHBondContact NH2-O 2.99Å; R359-P425 VanDerWaalsContact NH2-O 3.08Å; R359-L426 HydrophobicContact CB-CD2 4.38Å; R359-L426 HydrophobicContact CG-CD2 4.35Å; R359-N547 VanDerWaalsContact CD-O 3.24Å; R359-N547 WeakPolarHBondContact CD-O 3.27Å; R359-N547 WeakPolarHBondContact CD-OD1 3.27Å
360	S	94.8	Very high	95.5	Very high	36 Å²	36	57 Å²	57	25%	0.252	29%	0.291	S	S	.	.			trans	-129.8	130.8	177.3	176.7	0	0	0	0	110.3	N358 A362	N358-S360 VanDerWaalsContact C-N 3.34Å; S360-A362 PolarHBondContact O-N 3.38Å; S360-A362 PolarHBondContact OG-N 2.95Å
361	S	94.7	Very high	95.5	Very high	113 Å²	113	52.9 Å²	52.9	79%	0.79	27%	0.27	S	S	*	.	S	Bend	trans	-73.6	-16.4	173.6	55.9	0	0	0	0	113.2
362	A	93.6	Very high	95.5	Very high	71 Å²	71	53.2 Å²	53.2	59%	0.587	27%	0.269	S	S	*	.	S	Bend	trans	-83.4	-22	178.1	0	0	0	0	0	112.8	S360	S360-A362 PolarHBondContact O-N 3.38Å; S360-A362 PolarHBondContact OG-N 2.95Å
363	V	95.4	Very high	95.3	Very high	8 Å²	8	46 Å²	46	5%	0.048	24%	0.236	C	C	.	.			trans	-120.1	85.5	-174.2	-175.4	0	0	0	0	109.2	N406 D548 S550	V363-N406 PolarHBondContact O-ND2 2.89Å; V363-D548 HydrophobicContact CB-CB 4.15Å; V363-D548 HydrophobicContact CG1-CB 4.31Å; V363-D548 VanDerWaalsContact CG1-O 3.25Å; V363-D548 WeakPolarHBondContact CG1-O 3.45Å; V363-D548 HydrophobicContact CG2-CB 4.06Å; V363-S550 WeakPolarHBondContact CG1-OG 3.33Å
364	I	96.5	Very high	95.1	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.062	23%	0.234	C	C	.	.			trans	-117.5	134.2	178.8	-58.4	-179.6	0	0	0	107.3	C346 I350	C346-I364 HydrophobicContact CB-CB 4.45Å; C346-I364 HydrophobicContact CB-CG2 3.89Å; I350-I364 HydrophobicContact CG2-CD1 3.49Å; I350-I364 VanDerWaalsContact CG2-CD1 3.49Å
365	P	96.9	Very high	94.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.244	C	C	.	.			trans	-58.8	148.3	175.9	27.6	-36.8	0	0	0	110.7	R370 Y404 N406 S408	P365-R370 HydrophobicContact CB-CB 4.05Å; P365-R370 HydrophobicContact CG-CB 4.29Å; P365-Y404 VanDerWaalsContact CD-OH 3.31Å; P365-Y404 WeakPolarHBondContact CD-OH 3.36Å; P365-Y404 HydrophobicContact CG-CE2 3.88Å; P365-N406 WeakPolarHBondContact CD-OD1 3.34Å; P365-S408 VanDerWaalsContact CB-OG 3.23Å; P365-S408 WeakPolarHBondContact CB-OG 3.23Å
366	Y	96.6	Very high	92.5	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.012	24%	0.239	C	C	.	.			trans	-73.2	149.5	167.9	-62.1	-64.6	0	0	0	110.2	F340 R344 T345 Y368 N369 R370 K583 D584 K586	F340-Y366 PolarHBondContact O-OH 2.72Å; F340-Y366 VanDerWaalsContact O-OH 3.12Å; R344-Y366 HydrophobicContact CB-CD1 3.59Å; R344-Y366 HydrophobicContact CB-CE1 4.17Å; R344-Y366 HydrophobicContact CB-CG 3.89Å; R344-Y366 WeakPolarHBondContact O-CD1 3.16Å; T345-Y366 WeakPolarHBondContact O-CA 3.42Å; Y366-Y368 VanDerWaalsContact C-N 3.31Å; Y366-Y368 AromaticContact CD2-CE1 3.96Å; Y366-Y368 HydrophobicContact CD2-CE1 3.96Å; Y366-Y368 HydrophobicContact CG-CD1 4.38Å; Y366-Y368 HydrophobicContact CG-CE1 4.1Å; Y366-Y368 PolarHBondContact O-N 2.8Å; Y366-N369 PolarHBondContact O-N 3.12Å; Y366-N369 PolarHBondContact O-OD1 2.69Å; Y366-R370 WeakPolarHBondContact O-CB 3.44Å; Y366-R370 PolarHBondContact O-N 3.46Å; Y366-K583 VanDerWaalsContact CE2-O 3.29Å; Y366-K583 WeakPolarHBondContact CE2-O 3.44Å; Y366-D584 WeakPolarHBondContact CD2-O 3.43Å; Y366-K586 HydrophobicContact CE1-CD 4.25Å; Y366-K586 HydrophobicContact CE1-CG 3.99Å; Y366-K586 HydrophobicContact CE2-CG 4.2Å; Y366-K586 WeakPolarHBondContact OH-CG 3.41Å
367	D	95.3	Very high	90.4	Very high	29 Å²	29	49 Å²	49	16%	0.155	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-64.1	-37.6	-176.1	-59.7	-35.9	0	0	0	111.6	T345 C346 N347 T348 N369 R370	T345-D367 WeakPolarHBondContact CB-OD2 3.46Å; T345-D367 PolarHBondContact O-N 2.93Å; T345-D367 PolarHBondContact OG1-OD2 3.46Å; C346-D367 VanDerWaalsContact C-OD1 3.23Å; C346-D367 WeakPolarHBondContact CA-OD1 3.36Å; C346-D367 WeakPolarHBondContact CA-OD2 3.36Å; C346-D367 PolarHBondContact N-OD2 3.49Å; N347-D367 PolarHBondContact N-OD1 2.93Å; N347-D367 VanDerWaalsContact N-OD1 3.12Å; N347-D367 PolarHBondContact N-OD2 3.37Å; T348-D367 PolarHBondContact N-OD1 3.22Å; T348-D367 PolarHBondContact OG1-OD1 3.28Å; D367-N369 VanDerWaalsContact C-N 3.26Å; D367-N369 PolarHBondContact O-N 3.41Å; D367-R370 WeakPolarHBondContact O-CG 2.99Å
368	Y	93.9	Very high	88.2	Confident	93 Å²	93	51.8 Å²	51.8	37%	0.365	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.5	-176	87.4	-84.5	0	0	0	115	R344 Y366 D584	R344-Y368 HydrophobicContact CB-CD1 4.07Å; R344-Y368 HydrophobicContact CB-CE1 4.44Å; R344-Y368 HydrophobicContact CG-CD1 3.77Å; R344-Y368 HydrophobicContact CG-CE1 3.97Å; Y366-Y368 VanDerWaalsContact C-N 3.31Å; Y366-Y368 AromaticContact CD2-CE1 3.96Å; Y366-Y368 HydrophobicContact CD2-CE1 3.96Å; Y366-Y368 HydrophobicContact CG-CD1 4.38Å; Y366-Y368 HydrophobicContact CG-CE1 4.1Å; Y366-Y368 PolarHBondContact O-N 2.8Å; Y368-D584 WeakPolarHBondContact OH-CA 3.48Å; Y368-D584 PolarHBondContact OH-OD1 3.34Å; Y368-D584 VanDerWaalsContact OH-OD1 3.1Å
369	N	95.3	Very high	85.7	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.032	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-131.3	14.6	-178.1	73.2	-16.8	0	0	0	113.5	Y366 D367 S408 H409 D584	Y366-N369 PolarHBondContact O-N 3.12Å; Y366-N369 PolarHBondContact O-OD1 2.69Å; D367-N369 VanDerWaalsContact C-N 3.26Å; D367-N369 PolarHBondContact O-N 3.41Å; N369-S408 CarbonylContact O-C 3.17Å; N369-S408 WeakPolarHBondContact O-CA 3.37Å; N369-H409 PolarHBondContact ND2-O 2.73Å; N369-H409 PolarHBondContact O-N 3.22Å; N369-D584 PolarHBondContact ND2-O 2.98Å
370	R	96.3	Very high	83.2	Confident	17 Å²	17	54.1 Å²	54.1	6%	0.064	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-62	147.7	172.7	72.8	-175.9	173.1	92.9	-4.3	110	T348 P365 Y366 D367 L372 E399 A407	T348-R370 PolarHBondContact OG1-NE 2.99Å; P365-R370 HydrophobicContact CB-CB 4.05Å; P365-R370 HydrophobicContact CG-CB 4.29Å; Y366-R370 WeakPolarHBondContact O-CB 3.44Å; Y366-R370 PolarHBondContact O-N 3.46Å; D367-R370 WeakPolarHBondContact O-CG 2.99Å; R370-L372 HydrophobicContact CG-CD2 3.83Å; R370-L372 PolarHBondContact O-N 3.49Å; R370-E399 IonicContact NH2-OE1 3.78Å; R370-E399 PolarHBondContact NH2-OE1 2.88Å; R370-A407 WeakPolarHBondContact CA-O 3.45Å
371	V	96.4	Very high	80.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-75.6	116.6	175.1	-174.5	0	0	0	0	109.4	L373 I405 A407 I420 M436 K440	V371-L373 HydrophobicContact CG1-CD2 4.48Å; V371-I405 HydrophobicContact CB-CG2 4.27Å; V371-A407 HydrophobicContact CB-CB 4.05Å; V371-A407 HydrophobicContact CG2-CB 3.65Å; V371-A407 PolarHBondContact N-O 2.8Å; V371-I420 HydrophobicContact CG2-CD1 4.28Å; V371-I420 HydrophobicContact CG2-CG1 4.47Å; V371-I420 HydrophobicContact CG2-CG2 3.75Å; V371-M436 HydrophobicContact CB-SD 4.18Å; V371-M436 HydrophobicContact CG1-CG 3.74Å; V371-M436 HydrophobicContact CG1-SD 3.89Å; V371-M436 HydrophobicContact CG2-SD 4.25Å; V371-K440 HydrophobicContact CG1-CD 4.33Å; V371-K440 HydrophobicContact CG1-CG 3.98Å
372	L	94.3	Very high	77.7	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.335	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-82.7	127.3	178.2	-54.6	-179	0	0	0	111.2	R370 K440	R370-L372 HydrophobicContact CG-CD2 3.83Å; R370-L372 PolarHBondContact O-N 3.49Å; L372-K440 WeakPolarHBondContact O-CE 3.49Å; L372-K440 PolarHBondContact O-NZ 3.08Å
373	L	92.3	Very high	74.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.4	173.3	-57	-175.5	0	0	0	110.3	V371 T402 R403 I405 D432 M436	V371-L373 HydrophobicContact CG1-CD2 4.48Å; L373-T402 CarbonylContact O-C 3.57Å; L373-T402 VanDerWaalsContact O-CA 3.29Å; L373-T402 WeakPolarHBondContact O-CA 3.43Å; L373-R403 HydrophobicContact CB-CB 4.12Å; L373-R403 PolarHBondContact O-N 2.81Å; L373-I405 HydrophobicContact CD1-CB 3.8Å; L373-I405 HydrophobicContact CD1-CD1 4.45Å; L373-I405 HydrophobicContact CD1-CG2 3.7Å; L373-I405 HydrophobicContact CD2-CG2 4.23Å; L373-I405 HydrophobicContact CG-CB 4.43Å; L373-I405 HydrophobicContact CG-CG2 3.79Å; L373-D432 HydrophobicContact CD1-CB 3.9Å; L373-D432 WeakPolarHBondContact CD1-O 3.26Å; L373-M436 VanDerWaalsContact CD2-CA 3.44Å; L373-M436 HydrophobicContact CD2-CB 3.63Å; L373-M436 HydrophobicContact CD2-CG 4.11Å
374	R	88.4	Confident	71.9	Confident	143 Å²	143	71.9 Å²	71.9	54%	0.54	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.9	178.2	-63.2	-174	-179.2	168.3	1.5	111.2	Q439	R374-Q439 PolarHBondContact O-NE2 2.91Å
375	T	77.2	Confident	68.7	Low	48 Å²	48	77 Å²	77	29%	0.294	39%	0.394	S	S	.	.			trans	-75.3	162	169	54.8	0	0	0	0	110.6	E377 S401 R403	T375-E377 VanDerWaalsContact C-N 3.35Å; T375-E377 PolarHBondContact O-N 3.42Å; T375-S401 WeakPolarHBondContact CG2-O 3.29Å; T375-S401 PolarHBondContact N-O 2.83Å; T375-S401 PolarHBondContact OG1-O 2.82Å; T375-S401 VanDerWaalsContact OG1-O 3.1Å; T375-R403 HydrophobicContact CG2-CG 4.12Å
376	E	60.4	Low	65.6	Low	72 Å²	72	83.9 Å²	83.9	34%	0.336	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.2	-168.1	-73	-147.7	135	0	0	115.5	D378 N379 H492 K494	E376-D378 PolarHBondContact O-N 3.46Å; E376-N379 PolarHBondContact O-N 3.29Å; E376-N379 PolarHBondContact O-ND2 3.27Å; E376-H492 IonicContact OE1-CE1 3.73Å; E376-H492 PolarHBondContact OE1-CE1 3.47Å; E376-H492 VanDerWaalsContact OE1-CE1 3.23Å; E376-H492 IonicContact OE1-NE2 2.77Å; E376-H492 PolarHBondContact OE1-NE2 2.93Å; E376-K494 IonicContact OE2-NZ 3.61Å; E376-K494 PolarHBondContact OE2-NZ 3.19Å
377	E	51.2	Low	62.7	Low	171 Å²	171	92 Å²	92	80%	0.799	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.7	-174.3	-67.1	-174.7	165.9	0	0	113.1	T375	T375-E377 VanDerWaalsContact C-N 3.35Å; T375-E377 PolarHBondContact O-N 3.42Å
378	D	49.7	Very low	59.8	Low	83 Å²	83	98 Å²	98	44%	0.444	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-90.5	-3.7	-178.6	-66.2	-33.1	0	0	0	115	E376 S380	E376-D378 PolarHBondContact O-N 3.46Å; D378-S380 PolarHBondContact O-N 2.9Å; D378-S380 VanDerWaalsContact O-N 3.08Å
379	N	45.9	Very low	57	Low	58 Å²	58	100.3 Å²	100.3	31%	0.31	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-74.4	6.9	176.4	-70.9	-66.2	0	0	0	113.6	E376 R495	E376-N379 PolarHBondContact O-N 3.29Å; E376-N379 PolarHBondContact O-ND2 3.27Å; N379-R495 PolarHBondContact ND2-NH2 2.81Å; N379-R495 PolarHBondContact OD1-NH2 3.39Å
380	S	41.3	Very low	53.9	Low	108 Å²	108	104.5 Å²	104.5	76%	0.755	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-89	-2.2	-178.7	64.7	0	0	0	0	114.3	D378	D378-S380 PolarHBondContact O-N 2.9Å; D378-S380 VanDerWaalsContact O-N 3.08Å
381	Q	38	Very low	51.1	Low	170 Å²	170	111.3 Å²	111.3	79%	0.794	58%	0.576	S	S	*	*			trans	-127	66.3	170.8	-73.8	-175.8	-20.9	0	0	110.9	S383	Q381-S383 PolarHBondContact O-N 2.83Å
382	D	36.5	Very low	48.1	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	61%	0.609	S	S	*	*			trans	-70.2	81.1	158.8	-93.5	-26.4	0	0	0	108.2
383	S	31.7	Very low	45.1	Very low	87 Å²	87	118.3 Å²	118.3	61%	0.608	62%	0.62	S	S	*	*			trans	-94.8	125	150.6	50.1	0	0	0	0	107.7	Q381 V385	Q381-S383 PolarHBondContact O-N 2.83Å; S383-V385 PolarHBondContact O-N 2.86Å
384	E	35	Very low	42.4	Very low	202 Å²	202	122.9 Å²	122.9	94%	0.944	65%	0.652	S	S	*	*			trans	-46.3	100.2	170.6	-61.2	177.7	155.4	0	0	109.9
385	V	30.8	Very low	40.2	Very low	119 Å²	119	122.2 Å²	122.2	72%	0.721	66%	0.659	S	S	*	*			trans	-97.6	113.8	165	-176.1	0	0	0	0	105.8	S383	S383-V385 PolarHBondContact O-N 2.86Å
386	D	30.8	Very low	38.4	Very low	146 Å²	146	128.4 Å²	128.4	78%	0.781	69%	0.685	S	S	*	*			trans	-47.3	150.7	171.6	-99.1	-41.8	0	0	0	111.7	E388	D386-E388 PolarHBondContact O-N 2.88Å
387	D	36.6	Very low	37.5	Very low	172 Å²	172	133.7 Å²	133.7	92%	0.92	71%	0.709	S	S	*	*	S	Bend	trans	-65.9	49.3	178.7	-77.1	-46.6	0	0	0	113.6
388	E	34	Very low	37.5	Very low	156 Å²	156	131.2 Å²	131.2	73%	0.729	70%	0.702	S	S	*	*			trans	-131.5	74.2	163.9	-67.1	-159.3	174.3	0	0	109	D386 P390	D386-E388 PolarHBondContact O-N 2.88Å; E388-P390 VanDerWaalsContact O-CD 3.26Å; E388-P390 WeakPolarHBondContact O-CD 3.11Å
389	E	35.3	Very low	37.6	Very low	141 Å²	141	133 Å²	133	66%	0.659	71%	0.708	S	S	*	*			trans	-68.9	116.8	155.8	-75.9	-153.3	172.6	0	0	107.4
390	P	29	Very low	38.1	Very low	94 Å²	94	138.6 Å²	138.6	61%	0.61	74%	0.737	S	S	*	*			trans	-64	141.9	179.7	25.6	-31.6	0	0	0	109.6	E388 D392	E388-P390 VanDerWaalsContact O-CD 3.26Å; E388-P390 WeakPolarHBondContact O-CD 3.11Å; P390-D392 PolarHBondContact O-N 2.66Å
391	E	37.7	Very low	39.4	Very low	161 Å²	161	134.4 Å²	134.4	75%	0.752	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	7.6	177.6	-67.6	-167.4	152.3	0	0	114.5
392	D	33.5	Very low	41.5	Very low	130 Å²	130	128 Å²	128	70%	0.695	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.2	42.9	-175.2	-71.8	-49.3	0	0	0	112.7	P390	P390-D392 PolarHBondContact O-N 2.66Å
393	S	31.3	Very low	44.1	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	66%	0.655	S	S	*	*			trans	-85.8	115.6	162.3	-178.2	0	0	0	0	108.8	D395	S393-D395 PolarHBondContact O-N 2.94Å
394	S	36.2	Very low	47.1	Very low	97 Å²	97	120.3 Å²	120.3	68%	0.678	63%	0.627	S	S	*	*			trans	-60.8	106.5	173.4	55.5	0	0	0	0	110.2	E396	S394-E396 PolarHBondContact O-N 2.76Å
395	D	41.3	Very low	50.1	Low	128 Å²	128	111.2 Å²	111.2	68%	0.684	59%	0.585	S	S	*	*			trans	-62.9	20.1	-177.7	-79.1	-31.3	0	0	0	115.9	S393	S393-D395 PolarHBondContact O-N 2.94Å
396	E	40.5	Very low	53.3	Low	178 Å²	178	105.7 Å²	105.7	83%	0.832	55%	0.552	S	S	*	*			trans	-86.8	-3.8	-170.9	-69.5	-85.4	162.5	0	0	114.4	S394	S394-E396 PolarHBondContact O-N 2.76Å
397	E	41.8	Very low	56.5	Low	183 Å²	183	98.7 Å²	98.7	86%	0.855	51%	0.514	S	S	*	.	S	Bend	trans	-107.9	-4.9	-171.4	-66.9	-163.2	171	0	0	117.2
398	D	50.1	Low	59.5	Low	120 Å²	120	90.5 Å²	90.5	64%	0.642	47%	0.471	S	S	*	.			trans	-144.2	27.6	-176.3	-95.8	-32.9	0	0	0	116.2	D400 S401	D398-D400 PolarHBondContact O-N 2.82Å; D398-S401 PolarHBondContact O-OG 2.95Å
399	E	52.3	Low	62.5	Low	121 Å²	121	84.1 Å²	84.1	57%	0.565	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-64.2	-28.7	176.1	-78	-150.9	128	0	0	113.5	R370 S401 T402	R370-E399 IonicContact NH2-OE1 3.78Å; R370-E399 PolarHBondContact NH2-OE1 2.88Å; E399-S401 PolarHBondContact O-N 2.76Å; E399-T402 PolarHBondContact O-N 2.82Å; E399-T402 PolarHBondContact O-OG1 2.75Å
400	D	55.6	Low	65.4	Low	175 Å²	175	77.4 Å²	77.4	94%	0.936	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.5	-174.2	-76.5	-21.8	0	0	0	114	D398	D398-D400 PolarHBondContact O-N 2.82Å
401	S	68.6	Low	68.3	Low	19 Å²	19	75.4 Å²	75.4	13%	0.133	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-100.3	3.7	-179.5	68.3	0	0	0	0	113.9	T375 D398 E399	T375-S401 WeakPolarHBondContact CG2-O 3.29Å; T375-S401 PolarHBondContact N-O 2.83Å; T375-S401 PolarHBondContact OG1-O 2.82Å; T375-S401 VanDerWaalsContact OG1-O 3.1Å; D398-S401 PolarHBondContact O-OG 2.95Å; E399-S401 PolarHBondContact O-N 2.76Å
402	T	83.2	Confident	70.9	Confident	36 Å²	36	68.2 Å²	68.2	22%	0.221	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	-175.4	72.6	0	0	0	0	114.3	L373 E399	L373-T402 CarbonylContact O-C 3.57Å; L373-T402 VanDerWaalsContact O-CA 3.29Å; L373-T402 WeakPolarHBondContact O-CA 3.43Å; E399-T402 PolarHBondContact O-N 2.82Å; E399-T402 PolarHBondContact O-OG1 2.75Å
403	R	90.6	Very high	73.6	Confident	63 Å²	63	63.3 Å²	63.3	24%	0.238	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.8	169.7	-67.9	-174	-66.8	164.8	-9.9	111.1	L373 T375 N431 D432	L373-R403 HydrophobicContact CB-CB 4.12Å; L373-R403 PolarHBondContact O-N 2.81Å; T375-R403 HydrophobicContact CG2-CG 4.12Å; R403-N431 PolarHBondContact NH1-ND2 3.22Å; R403-D432 IonicContact CZ-OD1 3.76Å; R403-D432 IonicContact NE-OD1 3.17Å; R403-D432 IonicContact NH1-OD1 2.69Å; R403-D432 PolarHBondContact NH1-OD1 3.41Å
404	Y	95.6	Very high	76.3	Confident	5 Å²	5	66 Å²	66	2%	0.02	33%	0.332	C	S	.	.			trans	-85.2	136	175.4	176.5	-98.7	0	0	0	112.8	T348 G349 N354 K357 N358 P365 N406	T348-Y404 HydrophobicContact CG2-CD2 3.97Å; G349-Y404 VanDerWaalsContact CA-CE2 3.41Å; N354-Y404 HydrophobicContact CB-CD1 3.58Å; N354-Y404 HydrophobicContact CB-CE1 4Å; N354-Y404 HydrophobicContact CB-CG 3.96Å; N354-Y404 VanDerWaalsContact CG-CB 3.43Å; N354-Y404 VanDerWaalsContact ND2-CB 3.35Å; N354-Y404 WeakPolarHBondContact ND2-CB 3.48Å; N354-Y404 WeakPolarHBondContact OD1-CB 3.49Å; K357-Y404 HydrophobicContact CB-CD1 4.11Å; K357-Y404 HydrophobicContact CB-CE1 4.2Å; K357-Y404 HydrophobicContact CD-CD1 4.07Å; N358-Y404 VanDerWaalsContact OD1-CE1 3.28Å; N358-Y404 WeakPolarHBondContact OD1-CE1 3.2Å; N358-Y404 PolarHBondContact OD1-OH 3.36Å; P365-Y404 VanDerWaalsContact CD-OH 3.31Å; P365-Y404 WeakPolarHBondContact CD-OH 3.36Å; P365-Y404 HydrophobicContact CG-CE2 3.88Å; Y404-N406 HydrophobicContact CE1-CB 4.31Å
405	I	97.7	Very high	78.4	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.062	32%	0.316	C	S	.	.			trans	-133.8	143	162.8	-174.8	166.5	0	0	0	108.6	V371 L373 A407 D432 F433 M436	V371-I405 HydrophobicContact CB-CG2 4.27Å; L373-I405 HydrophobicContact CD1-CB 3.8Å; L373-I405 HydrophobicContact CD1-CD1 4.45Å; L373-I405 HydrophobicContact CD1-CG2 3.7Å; L373-I405 HydrophobicContact CD2-CG2 4.23Å; L373-I405 HydrophobicContact CG-CB 4.43Å; L373-I405 HydrophobicContact CG-CG2 3.79Å; I405-A407 VanDerWaalsContact C-N 3.27Å; I405-A407 HydrophobicContact CG2-CB 4.3Å; I405-A407 PolarHBondContact O-N 2.82Å; I405-D432 HydrophobicContact CD1-CB 4.26Å; I405-F433 HydrophobicContact CD1-CB 4.4Å; I405-M436 HydrophobicContact CD1-CB 4.11Å; I405-M436 HydrophobicContact CD1-CE 4.05Å; I405-M436 HydrophobicContact CD1-SD 3.96Å; I405-M436 HydrophobicContact CG2-SD 4.21Å
406	N	98.2	Very high	80.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.011	31%	0.31	C	S	.	.	S	Bend	trans	-76.9	82.2	175.3	-170.2	-40	0	0	0	110.3	N358 V363 P365 Y404 Q423 R585	N358-N406 PolarHBondContact OD1-ND2 2.5Å; V363-N406 PolarHBondContact O-ND2 2.89Å; P365-N406 WeakPolarHBondContact CD-OD1 3.34Å; Y404-N406 HydrophobicContact CE1-CB 4.31Å; N406-Q423 HydrophobicContact CB-CG 4.01Å; N406-Q423 PolarHBondContact ND2-OE1 3Å; N406-Q423 PolarHBondContact O-N 2.94Å; N406-R585 PolarHBondContact OD1-NH1 2.98Å; N406-R585 PolarHBondContact OD1-NH2 3.07Å
407	A	98.3	Very high	82.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.6	175.3	0	0	0	0	0	110.8	R370 V371 I405 I420 T421 A422 M436	R370-A407 WeakPolarHBondContact CA-O 3.45Å; V371-A407 HydrophobicContact CB-CB 4.05Å; V371-A407 HydrophobicContact CG2-CB 3.65Å; V371-A407 PolarHBondContact N-O 2.8Å; I405-A407 VanDerWaalsContact C-N 3.27Å; I405-A407 HydrophobicContact CG2-CB 4.3Å; I405-A407 PolarHBondContact O-N 2.82Å; A407-I420 HydrophobicContact CB-CG2 4.12Å; A407-T421 CarbonylContact C-O 3.43Å; A407-T421 WeakPolarHBondContact CA-O 3.46Å; A407-T421 WeakPolarHBondContact CB-O 3.28Å; A407-A422 HydrophobicContact CB-CB 3.73Å; A407-M436 HydrophobicContact CB-CE 4.46Å; A407-M436 HydrophobicContact CB-SD 3.62Å
408	S	98.1	Very high	84.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.8	177.8	-59.2	0	0	0	0	110.8	P365 N369 I420 T421 R585	P365-S408 VanDerWaalsContact CB-OG 3.23Å; P365-S408 WeakPolarHBondContact CB-OG 3.23Å; N369-S408 CarbonylContact O-C 3.17Å; N369-S408 WeakPolarHBondContact O-CA 3.37Å; S408-I420 WeakPolarHBondContact O-CA 3.24Å; S408-T421 PolarHBondContact N-O 2.7Å; S408-T421 PolarHBondContact O-N 2.9Å; S408-R585 PolarHBondContact OG-NH1 3.04Å; S408-R585 VanDerWaalsContact OG-NH1 3.07Å
409	H	97.5	Very high	87	Confident	21 Å²	21	45.6 Å²	45.6	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.3	160.6	-71.8	-79.5	0	0	0	109.3	N369 R417	N369-H409 PolarHBondContact ND2-O 2.73Å; N369-H409 PolarHBondContact O-N 3.22Å; H409-R417 HydrophobicContact CB-CB 4.04Å; H409-R417 HydrophobicContact CB-CG 3.86Å
410	I	96	Very high	89.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.8	-180	-55.2	-58.6	0	0	0	108.4	R417 S418 L419 T421 L581 D584 R585 M588	I410-R417 CarbonylContact O-C 3.56Å; I410-S418 PolarHBondContact O-N 3.43Å; I410-L419 HydrophobicContact CB-CB 3.93Å; I410-L419 HydrophobicContact CG2-CB 4.42Å; I410-L419 HydrophobicContact CG2-CD1 4.39Å; I410-L419 PolarHBondContact N-O 2.94Å; I410-L419 PolarHBondContact O-N 3.42Å; I410-L419 VanDerWaalsContact O-N 3.1Å; I410-T421 HydrophobicContact CG1-CG2 3.64Å; I410-T421 VanDerWaalsContact CG1-OG1 3.25Å; I410-T421 WeakPolarHBondContact CG1-OG1 3.19Å; I410-L581 HydrophobicContact CG2-CD2 3.46Å; I410-L581 VanDerWaalsContact CG2-CD2 3.46Å; I410-D584 HydrophobicContact CD1-CB 3.67Å; I410-R585 HydrophobicContact CD1-CB 3.81Å; I410-M588 HydrophobicContact CD1-CE 4.41Å
411	N	91.3	Very high	91.2	Very high	52 Å²	52	31.5 Å²	31.5	28%	0.278	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.5	175.7	-64.7	-28.7	0	0	0	110.6	S416 R417 N561 D584	N411-S416 WeakPolarHBondContact OD1-CA 3.27Å; N411-S416 WeakPolarHBondContact OD1-CB 3.49Å; N411-R417 PolarHBondContact OD1-N 2.7Å; N411-N561 PolarHBondContact O-ND2 2.95Å; N411-D584 PolarHBondContact N-OD2 3.37Å; N411-D584 VanDerWaalsContact N-OD2 3.15Å
412	G	91.3	Very high	92.6	Very high	10 Å²	10	30.7 Å²	30.7	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	174.7	171.1	0	0	0	0	0	111	W414 G415 S418 N561	G412-W414 PolarHBondContact O-N 2.81Å; G412-G415 PolarHBondContact N-O 3.06Å; G412-G415 VanDerWaalsContact N-O 3.12Å; G412-G415 PolarHBondContact O-N 3.46Å; G412-G415 VanDerWaalsContact O-O 3.1Å; G412-S418 WeakPolarHBondContact CA-OG 3.4Å; G412-S418 PolarHBondContact N-OG 3.23Å; G412-N561 WeakPolarHBondContact CA-OD1 3.22Å
413	Y	90.9	Very high	93.3	Very high	28 Å²	28	29.4 Å²	29.4	11%	0.11	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-50.9	-177.4	175.9	-100.4	0	0	0	112.7	P176 G415 N561 D564 S565 T568 E569	P176-Y413 WeakPolarHBondContact CB-O 3.49Å; P176-Y413 VanDerWaalsContact CD-OH 3.25Å; P176-Y413 WeakPolarHBondContact CD-OH 3.5Å; P176-Y413 HydrophobicContact CG-CD1 3.56Å; P176-Y413 HydrophobicContact CG-CD2 3.97Å; P176-Y413 HydrophobicContact CG-CE1 3.33Å; P176-Y413 HydrophobicContact CG-CE2 3.73Å; P176-Y413 HydrophobicContact CG-CG 3.9Å; P176-Y413 VanDerWaalsContact CG-CZ 3.41Å; P176-Y413 WeakPolarHBondContact CG-O 2.94Å; Y413-G415 VanDerWaalsContact C-N 3.28Å; Y413-G415 PolarHBondContact O-N 3.38Å; Y413-N561 PolarHBondContact N-OD1 3.18Å; Y413-D564 HydrophobicContact CD1-CB 3.43Å; Y413-D564 VanDerWaalsContact CD1-CB 3.43Å; Y413-D564 HydrophobicContact CD2-CB 4.34Å; Y413-D564 HydrophobicContact CE1-CB 4.16Å; Y413-D564 HydrophobicContact CG-CB 3.51Å; Y413-S565 VanDerWaalsContact CE2-CA 3.5Å; Y413-T568 HydrophobicContact CE1-CG2 4.2Å; Y413-T568 VanDerWaalsContact OH-CB 3.29Å; Y413-T568 WeakPolarHBondContact OH-CB 3.4Å; Y413-T568 VanDerWaalsContact OH-CG2 3.23Å; Y413-T568 WeakPolarHBondContact OH-CG2 3.22Å; Y413-E569 WeakPolarHBondContact CE2-OE2 3.09Å; Y413-E569 WeakPolarHBondContact OH-CG 3.46Å; Y413-E569 PolarHBondContact OH-OE2 3.3Å
414	W	88.1	Confident	93.5	Very high	136 Å²	136	27.5 Å²	27.5	52%	0.515	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-0.6	-175	-69.3	106.9	0	0	0	115.7	H174 P176 G412 T568	H174-W414 WeakPolarHBondContact O-CH2 3.46Å; P176-W414 HydrophobicContact CG-CD2 4.47Å; P176-W414 HydrophobicContact CG-CE3 4.04Å; P176-W414 HydrophobicContact CG-CZ3 4.44Å; G412-W414 PolarHBondContact O-N 2.81Å; W414-T568 HydrophobicContact CH2-CG2 3.79Å; W414-T568 HydrophobicContact CZ2-CG2 4.12Å; W414-T568 VanDerWaalsContact CZ2-OG1 3.28Å; W414-T568 WeakPolarHBondContact CZ2-OG1 3.5Å
415	G	80.3	Confident	93.5	Very high	32 Å²	32	27.8 Å²	27.8	33%	0.33	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	166.8	178.9	0	0	0	0	0	114.4	G412 Y413 S418	G412-G415 PolarHBondContact N-O 3.06Å; G412-G415 VanDerWaalsContact N-O 3.12Å; G412-G415 PolarHBondContact O-N 3.46Å; G412-G415 VanDerWaalsContact O-O 3.1Å; Y413-G415 VanDerWaalsContact C-N 3.28Å; Y413-G415 PolarHBondContact O-N 3.38Å; G415-S418 PolarHBondContact O-OG 3.19Å
416	S	83.2	Confident	93.3	Very high	82 Å²	82	28.4 Å²	28.4	57%	0.573	15%	0.149	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	150.6	177.5	59.7	0	0	0	0	111.7	N411 S418	N411-S416 WeakPolarHBondContact OD1-CA 3.27Å; N411-S416 WeakPolarHBondContact OD1-CB 3.49Å; S416-S418 PolarHBondContact O-N 3.09Å
417	R	86.1	Confident	93.1	Very high	129 Å²	129	32 Å²	32	49%	0.487	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	20.1	175.4	-52.2	-172.9	169.2	177.3	-4.2	115.9	H409 I410 N411 L419	H409-R417 HydrophobicContact CB-CB 4.04Å; H409-R417 HydrophobicContact CB-CG 3.86Å; I410-R417 CarbonylContact O-C 3.56Å; N411-R417 PolarHBondContact OD1-N 2.7Å; R417-L419 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 2.84Å
418	S	88.6	Confident	92.9	Very high	34 Å²	34	36.3 Å²	36.3	24%	0.238	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-7.4	-179.1	53.8	0	0	0	0	114.1	I410 G412 G415 S416 P541 I542	I410-S418 PolarHBondContact O-N 3.43Å; G412-S418 WeakPolarHBondContact CA-OG 3.4Å; G412-S418 PolarHBondContact N-OG 3.23Å; G415-S418 PolarHBondContact O-OG 3.19Å; S416-S418 PolarHBondContact O-N 3.09Å; S418-P541 WeakPolarHBondContact O-CA 3.5Å; S418-I542 PolarHBondContact O-N 2.95Å
419	L	95.1	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.5	172.9	-59.5	175.3	0	0	0	109.1	I410 R417 I542 C557 W560	I410-L419 HydrophobicContact CB-CB 3.93Å; I410-L419 HydrophobicContact CG2-CB 4.42Å; I410-L419 HydrophobicContact CG2-CD1 4.39Å; I410-L419 PolarHBondContact N-O 2.94Å; I410-L419 PolarHBondContact O-N 3.42Å; I410-L419 VanDerWaalsContact O-N 3.1Å; R417-L419 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 2.84Å; L419-I542 HydrophobicContact CD2-CD1 3.58Å; L419-I542 HydrophobicContact CD2-CG1 3.23Å; L419-C557 HydrophobicContact CD1-CB 4.04Å; L419-W560 HydrophobicContact CD2-CD2 4.49Å; L419-W560 HydrophobicContact CD2-CG 4.26Å
420	I	97.8	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.1	164.6	-62.9	-178.9	0	0	0	107.7	V371 A407 S408 M436 K440 L442 P541 I542 L543 V544	V371-I420 HydrophobicContact CG2-CD1 4.28Å; V371-I420 HydrophobicContact CG2-CG1 4.47Å; V371-I420 HydrophobicContact CG2-CG2 3.75Å; A407-I420 HydrophobicContact CB-CG2 4.12Å; S408-I420 WeakPolarHBondContact O-CA 3.24Å; I420-M436 HydrophobicContact CG2-SD 4.12Å; I420-K440 HydrophobicContact CD1-CB 4.09Å; I420-K440 HydrophobicContact CD1-CG 4.15Å; I420-L442 HydrophobicContact CD1-CD1 4.06Å; I420-L442 HydrophobicContact CD1-CD2 3.87Å; I420-P541 HydrophobicContact CG1-CB 4.35Å; I420-I542 PolarHBondContact N-O 3.42Å; I420-L543 HydrophobicContact CB-CD1 3.92Å; I420-L543 HydrophobicContact CG2-CD1 3.54Å; I420-L543 CarbonylContact O-C 3.55Å; I420-L543 WeakPolarHBondContact O-CA 2.98Å; I420-V544 PolarHBondContact O-N 2.75Å
421	T	98.3	Very high	92.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.1	170.2	55	0	0	0	0	110	A407 S408 I410 V544 C557 R585 M588	A407-T421 CarbonylContact C-O 3.43Å; A407-T421 WeakPolarHBondContact CA-O 3.46Å; A407-T421 WeakPolarHBondContact CB-O 3.28Å; S408-T421 PolarHBondContact N-O 2.7Å; S408-T421 PolarHBondContact O-N 2.9Å; I410-T421 HydrophobicContact CG1-CG2 3.64Å; I410-T421 VanDerWaalsContact CG1-OG1 3.25Å; I410-T421 WeakPolarHBondContact CG1-OG1 3.19Å; T421-V544 VanDerWaalsContact CA-O 3.27Å; T421-V544 WeakPolarHBondContact CA-O 3.13Å; T421-C557 VanDerWaalsContact CG2-SG 3.51Å; T421-R585 WeakPolarHBondContact OG1-CD 3.39Å; T421-M588 HydrophobicContact CG2-CE 3.92Å
422	A	98.4	Very high	92.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.5	-179.2	0	0	0	0	0	110.9	A407 M436 L543 V544 H545 G549	A407-A422 HydrophobicContact CB-CB 3.73Å; A422-M436 HydrophobicContact CB-CE 4.2Å; A422-L543 HydrophobicContact CB-CD1 3.86Å; A422-V544 PolarHBondContact N-O 2.77Å; A422-V544 VanDerWaalsContact N-O 3.11Å; A422-H545 HydrophobicContact CB-CB 4.3Å; A422-H545 WeakPolarHBondContact O-CA 3.12Å; A422-H545 WeakPolarHBondContact O-CB 3.47Å; A422-G549 VanDerWaalsContact C-CA 3.44Å; A422-G549 WeakPolarHBondContact O-CA 3.3Å
423	Q	97.3	Very high	93.2	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	163.4	168	72.2	177.5	36.6	0	0	111.1	K357 N406 C546 N547	K357-Q423 PolarHBondContact O-NE2 2.97Å; N406-Q423 HydrophobicContact CB-CG 4.01Å; N406-Q423 PolarHBondContact ND2-OE1 3Å; N406-Q423 PolarHBondContact O-N 2.94Å; Q423-C546 CarbonylContact C-O 3.54Å; Q423-C546 WeakPolarHBondContact CA-O 3.45Å; Q423-N547 WeakPolarHBondContact CB-O 3.45Å
424	D	95.6	Very high	93.4	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-59.6	127.2	169.1	-76.9	-18.6	0	0	0	109.2	R359 L426 S449 H545 C546 N547	R359-D424 PolarHBondContact NE-O 2.82Å; R359-D424 PolarHBondContact NH2-O 3.45Å; D424-L426 PolarHBondContact O-N 3.04Å; D424-S449 VanDerWaalsContact CG-OG 3.23Å; D424-S449 PolarHBondContact OD1-OG 2.79Å; D424-S449 WeakPolarHBondContact OD2-CB 3.38Å; D424-S449 PolarHBondContact OD2-OG 3.21Å; D424-H545 IonicContact OD1-CE1 2.73Å; D424-H545 PolarHBondContact OD1-CE1 3.32Å; D424-H545 IonicContact OD1-CG 3.04Å; D424-H545 IonicContact OD1-ND1 3.42Å; D424-H545 PolarHBondContact OD1-ND1 3.45Å; D424-C546 VanDerWaalsContact CG-C 3.4Å; D424-C546 PolarHBondContact N-O 3.17Å; D424-C546 WeakPolarHBondContact OD1-CA 3.34Å; D424-N547 PolarHBondContact N-O 3.37Å; D424-N547 VanDerWaalsContact OD2-CA 3.26Å; D424-N547 WeakPolarHBondContact OD2-CA 3.38Å; D424-N547 PolarHBondContact OD2-N 2.61Å
425	P	95.5	Very high	93.7	Very high	11 Å²	11	28 Å²	28	7%	0.071	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-56.2	134.2	-176.7	-28.2	38	0	0	0	111.5	R359 F430 F433 Y459	R359-P425 PolarHBondContact NH2-O 2.99Å; R359-P425 VanDerWaalsContact NH2-O 3.08Å; P425-F430 HydrophobicContact CB-CD1 3.62Å; P425-F430 HydrophobicContact CB-CE1 3.78Å; P425-F433 HydrophobicContact CB-CB 4.2Å; P425-F433 HydrophobicContact CB-CD2 4.28Å; P425-F433 HydrophobicContact CB-CG 4.2Å; P425-F433 HydrophobicContact CG-CB 4.04Å; P425-F433 HydrophobicContact CG-CD1 4Å; P425-F433 HydrophobicContact CG-CD2 3.28Å; P425-F433 HydrophobicContact CG-CE1 4.23Å; P425-F433 HydrophobicContact CG-CE2 3.51Å; P425-F433 HydrophobicContact CG-CG 3.5Å; P425-F433 HydrophobicContact CG-CZ 3.99Å; P425-Y459 HydrophobicContact CB-CD1 4.02Å; P425-Y459 HydrophobicContact CB-CG 4.43Å; P425-Y459 HydrophobicContact CG-CD1 3.62Å; P425-Y459 HydrophobicContact CG-CE1 3.94Å; P425-Y459 HydrophobicContact CG-CG 4.13Å
426	L	94.6	Very high	94.5	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.131	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-83.5	154.7	168.2	-62.4	168.6	0	0	0	109.3	K356 R359 D424 D428 T429 F430	K356-L426 WeakPolarHBondContact O-CD1 3.5Å; R359-L426 HydrophobicContact CB-CD2 4.38Å; R359-L426 HydrophobicContact CG-CD2 4.35Å; D424-L426 PolarHBondContact O-N 3.04Å; L426-D428 WeakPolarHBondContact CB-OD1 3.37Å; L426-D428 PolarHBondContact O-N 2.92Å; L426-T429 WeakPolarHBondContact CA-OG1 3.49Å; L426-T429 HydrophobicContact CB-CG2 4.25Å; L426-T429 PolarHBondContact N-OG1 3.15Å; L426-T429 CarbonylContact O-C 3.33Å; L426-T429 WeakPolarHBondContact O-CA 3.35Å; L426-T429 PolarHBondContact O-N 3.36Å; L426-T429 PolarHBondContact O-OG1 2.79Å; L426-F430 WeakPolarHBondContact O-CD1 3.5Å; L426-F430 WeakPolarHBondContact O-CE1 3.47Å; L426-F430 PolarHBondContact O-N 2.88Å
427	P	93.5	Very high	95	Very high	78 Å²	78	22.6 Å²	22.6	51%	0.506	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-57	-36.2	-175.7	-26.3	37.2	0	0	0	113.8	T429 F430 P457	P427-T429 VanDerWaalsContact C-N 3.27Å; P427-T429 PolarHBondContact O-N 3.19Å; P427-F430 HydrophobicContact CB-CE2 4.5Å; P427-F430 HydrophobicContact CB-CZ 4.48Å; P427-P457 HydrophobicContact CB-CB 4.38Å; P427-P457 HydrophobicContact CB-CG 4.04Å; P427-P457 HydrophobicContact CG-CB 4.17Å; P427-P457 HydrophobicContact CG-CG 3.35Å
428	D	93.1	Very high	95.3	Very high	90 Å²	90	18.2 Å²	18.2	48%	0.481	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-76.4	-11.6	176.4	63	-25.6	0	0	0	113.6	L426	L426-D428 WeakPolarHBondContact CB-OD1 3.37Å; L426-D428 PolarHBondContact O-N 2.92Å
429	T	95.9	Very high	95.4	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.043	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-109.4	5.1	179.3	65.1	0	0	0	0	113.8	K357 L426 P427 N431 D432 F433	K357-T429 HydrophobicContact CB-CG2 3.96Å; K357-T429 HydrophobicContact CG-CG2 4.03Å; L426-T429 WeakPolarHBondContact CA-OG1 3.49Å; L426-T429 HydrophobicContact CB-CG2 4.25Å; L426-T429 PolarHBondContact N-OG1 3.15Å; L426-T429 CarbonylContact O-C 3.33Å; L426-T429 WeakPolarHBondContact O-CA 3.35Å; L426-T429 PolarHBondContact O-N 3.36Å; L426-T429 PolarHBondContact O-OG1 2.79Å; P427-T429 VanDerWaalsContact C-N 3.27Å; P427-T429 PolarHBondContact O-N 3.19Å; T429-N431 VanDerWaalsContact C-N 3.31Å; T429-N431 PolarHBondContact O-N 2.59Å; T429-D432 PolarHBondContact O-N 2.93Å; T429-D432 VanDerWaalsContact O-N 3.13Å; T429-F433 PolarHBondContact O-N 3.28Å
430	F	96.3	Very high	95.1	Very high	16 Å²	16	22.3 Å²	22.3	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-40	178.9	-70.3	-10.2	0	0	0	113	P425 L426 P427 F433 W434 P457 L458 F467	P425-F430 HydrophobicContact CB-CD1 3.62Å; P425-F430 HydrophobicContact CB-CE1 3.78Å; L426-F430 WeakPolarHBondContact O-CD1 3.5Å; L426-F430 WeakPolarHBondContact O-CE1 3.47Å; L426-F430 PolarHBondContact O-N 2.88Å; P427-F430 HydrophobicContact CB-CE2 4.5Å; P427-F430 HydrophobicContact CB-CZ 4.48Å; F430-F433 PolarHBondContact O-N 3.31Å; F430-W434 VanDerWaalsContact O-CD1 3.26Å; F430-W434 PolarHBondContact O-N 2.98Å; F430-W434 VanDerWaalsContact O-N 3.08Å; F430-P457 HydrophobicContact CE2-CB 3.99Å; F430-P457 HydrophobicContact CZ-CB 4.08Å; F430-P457 WeakPolarHBondContact CZ-O 3.21Å; F430-L458 VanDerWaalsContact CE2-O 3.25Å; F430-L458 WeakPolarHBondContact CE2-O 3.35Å; F430-L458 VanDerWaalsContact CZ-C 3.46Å; F430-F467 HydrophobicContact CB-CB 4.37Å; F430-F467 HydrophobicContact CB-CD1 3.82Å; F430-F467 HydrophobicContact CB-CE1 4.45Å; F430-F467 HydrophobicContact CB-CG 4.31Å; F430-F467 AromaticContact CD2-CD1 3.69Å; F430-F467 HydrophobicContact CD2-CD1 3.69Å; F430-F467 AromaticContact CD2-CE1 3.58Å; F430-F467 HydrophobicContact CD2-CE1 3.58Å; F430-F467 HydrophobicContact CE2-CE1 4.2Å; F430-F467 HydrophobicContact CG-CD1 4.19Å; F430-F467 HydrophobicContact CG-CE1 4.36Å
431	N	95.5	Very high	94.8	Very high	35 Å²	35	29.1 Å²	29.1	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-43.5	174.5	-175	50.6	0	0	0	111.2	R403 T429 F433 W434 A435 F467 D469 F470	R403-N431 PolarHBondContact NH1-ND2 3.22Å; T429-N431 VanDerWaalsContact C-N 3.31Å; T429-N431 PolarHBondContact O-N 2.59Å; N431-F433 VanDerWaalsContact C-N 3.34Å; N431-F433 PolarHBondContact O-N 3.42Å; N431-W434 PolarHBondContact O-N 3.08Å; N431-A435 VanDerWaalsContact O-CB 3.28Å; N431-A435 WeakPolarHBondContact O-CB 3.17Å; N431-A435 PolarHBondContact O-N 3.49Å; N431-F467 PolarHBondContact OD1-O 3.31Å; N431-F467 VanDerWaalsContact OD1-O 3.06Å; N431-D469 PolarHBondContact OD1-N 3.31Å; N431-D469 VanDerWaalsContact OD1-N 3.13Å; N431-F470 WeakPolarHBondContact OD1-CD2 3.27Å
432	D	96.1	Very high	94.4	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.064	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-39.2	178.2	-63.8	-30	0	0	0	111.4	L373 R403 I405 T429 A435 M436	L373-D432 HydrophobicContact CD1-CB 3.9Å; L373-D432 WeakPolarHBondContact CD1-O 3.26Å; R403-D432 IonicContact CZ-OD1 3.76Å; R403-D432 IonicContact NE-OD1 3.17Å; R403-D432 IonicContact NH1-OD1 2.69Å; R403-D432 PolarHBondContact NH1-OD1 3.41Å; I405-D432 HydrophobicContact CD1-CB 4.26Å; T429-D432 PolarHBondContact O-N 2.93Å; T429-D432 VanDerWaalsContact O-N 3.13Å; D432-A435 WeakPolarHBondContact O-CB 3.39Å; D432-A435 PolarHBondContact O-N 2.84Å; D432-M436 WeakPolarHBondContact O-CB 3.46Å; D432-M436 PolarHBondContact O-N 2.94Å
433	F	97.4	Very high	94.1	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-46.9	176.5	-177.3	-96.3	0	0	0	112	I405 P425 T429 F430 N431 M436 V437 I445 Y459 L543	I405-F433 HydrophobicContact CD1-CB 4.4Å; P425-F433 HydrophobicContact CB-CB 4.2Å; P425-F433 HydrophobicContact CB-CD2 4.28Å; P425-F433 HydrophobicContact CB-CG 4.2Å; P425-F433 HydrophobicContact CG-CB 4.04Å; P425-F433 HydrophobicContact CG-CD1 4Å; P425-F433 HydrophobicContact CG-CD2 3.28Å; P425-F433 HydrophobicContact CG-CE1 4.23Å; P425-F433 HydrophobicContact CG-CE2 3.51Å; P425-F433 HydrophobicContact CG-CG 3.5Å; P425-F433 HydrophobicContact CG-CZ 3.99Å; T429-F433 PolarHBondContact O-N 3.28Å; F430-F433 PolarHBondContact O-N 3.31Å; N431-F433 VanDerWaalsContact C-N 3.34Å; N431-F433 PolarHBondContact O-N 3.42Å; F433-M436 HydrophobicContact CD2-CE 3.92Å; F433-M436 HydrophobicContact CE2-CE 4.14Å; F433-M436 WeakPolarHBondContact O-CB 3.3Å; F433-M436 PolarHBondContact O-N 2.9Å; F433-V437 HydrophobicContact CD1-CG2 4.34Å; F433-V437 HydrophobicContact CE1-CG2 4.1Å; F433-V437 WeakPolarHBondContact O-CG2 3.36Å; F433-V437 PolarHBondContact O-N 3.23Å; F433-I445 HydrophobicContact CE1-CD1 4.18Å; F433-I445 HydrophobicContact CZ-CD1 4.37Å; F433-I445 HydrophobicContact CZ-CG2 4.41Å; F433-Y459 AromaticContact CD1-CD2 3.91Å; F433-Y459 HydrophobicContact CD1-CD2 3.91Å; F433-Y459 HydrophobicContact CD1-CE2 4.3Å; F433-Y459 HydrophobicContact CD1-CG 4.33Å; F433-Y459 AromaticContact CE1-CD2 3.58Å; F433-Y459 HydrophobicContact CE1-CD2 3.58Å; F433-Y459 AromaticContact CE1-CE2 3.5Å; F433-Y459 HydrophobicContact CE1-CE2 3.5Å; F433-Y459 VanDerWaalsContact CE1-CE2 3.5Å; F433-Y459 HydrophobicContact CE1-CG 4.27Å; F433-Y459 HydrophobicContact CZ-CD2 4.43Å; F433-Y459 HydrophobicContact CZ-CE2 4.04Å; F433-L543 HydrophobicContact CD2-CD2 4.46Å; F433-L543 HydrophobicContact CE1-CD2 4.35Å; F433-L543 HydrophobicContact CE2-CD2 3.54Å; F433-L543 HydrophobicContact CZ-CD2 3.46Å; F433-L543 VanDerWaalsContact CZ-CD2 3.46Å
434	W	95.6	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.4	-31.1	176.6	-72.4	119.1	0	0	0	112.9	F430 N431 V437 C438 I445 Y459 F467 F470 V472 M488 L490	F430-W434 VanDerWaalsContact O-CD1 3.26Å; F430-W434 PolarHBondContact O-N 2.98Å; F430-W434 VanDerWaalsContact O-N 3.08Å; N431-W434 PolarHBondContact O-N 3.08Å; W434-V437 HydrophobicContact CE3-CB 3.98Å; W434-V437 HydrophobicContact CE3-CG1 3.93Å; W434-V437 HydrophobicContact CE3-CG2 4.15Å; W434-V437 HydrophobicContact CZ3-CB 4.4Å; W434-V437 HydrophobicContact CZ3-CG1 3.96Å; W434-V437 HydrophobicContact CZ3-CG2 4.37Å; W434-V437 PolarHBondContact O-N 2.71Å; W434-C438 VanDerWaalsContact O-CB 3.28Å; W434-C438 WeakPolarHBondContact O-CB 3.34Å; W434-C438 PolarHBondContact O-N 2.77Å; W434-I445 HydrophobicContact CH2-CD1 4.14Å; W434-I445 HydrophobicContact CZ3-CD1 4.04Å; W434-Y459 AromaticContact CE2-CD2 3.9Å; W434-Y459 VanDerWaalsContact CE2-O 3.31Å; W434-Y459 HydrophobicContact CH2-CD2 4.4Å; W434-Y459 HydrophobicContact CH2-CE2 4.49Å; W434-Y459 AromaticContact CZ2-CD2 3.55Å; W434-Y459 HydrophobicContact CZ2-CD2 3.55Å; W434-Y459 HydrophobicContact CZ2-CE2 4.04Å; W434-Y459 VanDerWaalsContact CZ2-O 3.28Å; W434-Y459 WeakPolarHBondContact CZ2-O 3.25Å; W434-Y459 PolarHBondContact NE1-O 3.1Å; W434-F467 AromaticContact CD1-CD2 3.79Å; W434-F467 AromaticContact NE1-CD2 3.69Å; W434-F467 AromaticContact NE1-CE2 3.95Å; W434-F470 HydrophobicContact CB-CB 3.94Å; W434-F470 HydrophobicContact CB-CD1 4.5Å; W434-F470 HydrophobicContact CB-CD2 3.83Å; W434-F470 HydrophobicContact CB-CG 3.81Å; W434-V472 HydrophobicContact CD2-CG2 3.77Å; W434-V472 HydrophobicContact CE3-CG2 4.25Å; W434-V472 HydrophobicContact CG-CG2 4.11Å; W434-V472 HydrophobicContact CH2-CG1 3.91Å; W434-V472 HydrophobicContact CH2-CG2 4.35Å; W434-V472 HydrophobicContact CZ2-CB 4.27Å; W434-V472 HydrophobicContact CZ2-CG1 3.63Å; W434-V472 HydrophobicContact CZ2-CG2 3.87Å; W434-M488 HydrophobicContact CH2-SD 3.82Å; W434-M488 HydrophobicContact CZ2-SD 4.4Å; W434-L490 HydrophobicContact CB-CD1 4.39Å; W434-L490 HydrophobicContact CD2-CD1 4.2Å; W434-L490 HydrophobicContact CE3-CD1 3.83Å; W434-L490 HydrophobicContact CE3-CD2 3.97Å; W434-L490 HydrophobicContact CE3-CG 4.44Å; W434-L490 HydrophobicContact CG-CD1 4.45Å; W434-L490 HydrophobicContact CZ3-CD1 4.46Å; W434-L490 HydrophobicContact CZ3-CD2 4.36Å
435	A	94.4	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-45.2	169.1	0	0	0	0	0	111.2	N431 D432 C438 Q439 F470	N431-A435 VanDerWaalsContact O-CB 3.28Å; N431-A435 WeakPolarHBondContact O-CB 3.17Å; N431-A435 PolarHBondContact O-N 3.49Å; D432-A435 WeakPolarHBondContact O-CB 3.39Å; D432-A435 PolarHBondContact O-N 2.84Å; A435-C438 PolarHBondContact O-N 3.03Å; A435-Q439 WeakPolarHBondContact O-CB 3.14Å; A435-Q439 VanDerWaalsContact O-CG 3.31Å; A435-Q439 WeakPolarHBondContact O-CG 3.41Å; A435-Q439 PolarHBondContact O-N 2.95Å; A435-F470 HydrophobicContact CB-CE2 3.73Å; A435-F470 HydrophobicContact CB-CZ 4.03Å
436	M	95.4	Very high	94.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-52.7	174.8	-176.3	179.4	62.4	0	0	111.5	V371 L373 I405 A407 I420 A422 D432 F433 C438 Q439 K440 L543	V371-M436 HydrophobicContact CB-SD 4.18Å; V371-M436 HydrophobicContact CG1-CG 3.74Å; V371-M436 HydrophobicContact CG1-SD 3.89Å; V371-M436 HydrophobicContact CG2-SD 4.25Å; L373-M436 VanDerWaalsContact CD2-CA 3.44Å; L373-M436 HydrophobicContact CD2-CB 3.63Å; L373-M436 HydrophobicContact CD2-CG 4.11Å; I405-M436 HydrophobicContact CD1-CB 4.11Å; I405-M436 HydrophobicContact CD1-CE 4.05Å; I405-M436 HydrophobicContact CD1-SD 3.96Å; I405-M436 HydrophobicContact CG2-SD 4.21Å; A407-M436 HydrophobicContact CB-CE 4.46Å; A407-M436 HydrophobicContact CB-SD 3.62Å; I420-M436 HydrophobicContact CG2-SD 4.12Å; A422-M436 HydrophobicContact CB-CE 4.2Å; D432-M436 WeakPolarHBondContact O-CB 3.46Å; D432-M436 PolarHBondContact O-N 2.94Å; F433-M436 HydrophobicContact CD2-CE 3.92Å; F433-M436 HydrophobicContact CE2-CE 4.14Å; F433-M436 WeakPolarHBondContact O-CB 3.3Å; F433-M436 PolarHBondContact O-N 2.9Å; M436-C438 PolarHBondContact O-N 3.45Å; M436-Q439 PolarHBondContact O-N 3.48Å; M436-K440 HydrophobicContact CG-CG 4.37Å; M436-K440 WeakPolarHBondContact O-CB 3.45Å; M436-K440 WeakPolarHBondContact O-CG 3.27Å; M436-K440 PolarHBondContact O-N 3.22Å; M436-L543 HydrophobicContact CE-CD1 3.67Å; M436-L543 HydrophobicContact CE-CD2 3.71Å; M436-L543 HydrophobicContact CE-CG 4.38Å
437	V	94.5	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-53.9	-47.8	177	170.1	0	0	0	0	109.3	F433 W434 K441 L442 I445 L490 R499 V501 L543	F433-V437 HydrophobicContact CD1-CG2 4.34Å; F433-V437 HydrophobicContact CE1-CG2 4.1Å; F433-V437 WeakPolarHBondContact O-CG2 3.36Å; F433-V437 PolarHBondContact O-N 3.23Å; W434-V437 HydrophobicContact CE3-CB 3.98Å; W434-V437 HydrophobicContact CE3-CG1 3.93Å; W434-V437 HydrophobicContact CE3-CG2 4.15Å; W434-V437 HydrophobicContact CZ3-CB 4.4Å; W434-V437 HydrophobicContact CZ3-CG1 3.96Å; W434-V437 HydrophobicContact CZ3-CG2 4.37Å; W434-V437 PolarHBondContact O-N 2.71Å; V437-K441 PolarHBondContact O-N 3.32Å; V437-L442 HydrophobicContact CB-CD1 4.49Å; V437-L442 HydrophobicContact CG1-CB 4.31Å; V437-L442 HydrophobicContact CG2-CD1 4.19Å; V437-L442 PolarHBondContact O-N 2.64Å; V437-L442 VanDerWaalsContact O-N 3.1Å; V437-I445 HydrophobicContact CG2-CD1 3.96Å; V437-L490 HydrophobicContact CG1-CD2 3.89Å; V437-R499 VanDerWaalsContact C-NH2 3.28Å; V437-R499 VanDerWaalsContact O-CZ 3.24Å; V437-R499 PolarHBondContact O-NH1 3.43Å; V437-R499 PolarHBondContact O-NH2 3.06Å; V437-V501 HydrophobicContact CG1-CG2 4.13Å; V437-L543 HydrophobicContact CG2-CD2 3.86Å
438	C	91.6	Very high	94.5	Very high	37 Å²	37	24 Å²	24	25%	0.25	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-61.8	179.3	-164	0	0	0	0	112.9	W434 A435 M436 K440 K441 F470 L490 R499	W434-C438 VanDerWaalsContact O-CB 3.28Å; W434-C438 WeakPolarHBondContact O-CB 3.34Å; W434-C438 PolarHBondContact O-N 2.77Å; A435-C438 PolarHBondContact O-N 3.03Å; M436-C438 PolarHBondContact O-N 3.45Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 3.47Å; C438-K441 PolarHBondContact O-N 3.34Å; C438-F470 HydrophobicContact CB-CD1 4.42Å; C438-F470 HydrophobicContact CB-CE1 3.52Å; C438-F470 HydrophobicContact CB-CZ 3.98Å; C438-L490 HydrophobicContact CB-CD2 4.45Å; C438-R499 PolarHBondContact O-NH1 3.45Å
439	Q	90.6	Very high	94.4	Very high	64 Å²	64	20 Å²	20	30%	0.299	10%	0.1	S	C	.	.	H	α-helix	trans	-63.9	-35.5	-173.1	-67.8	-179.6	9.5	0	0	112.6	R374 A435 M436 K441	R374-Q439 PolarHBondContact O-NE2 2.91Å; A435-Q439 WeakPolarHBondContact O-CB 3.14Å; A435-Q439 VanDerWaalsContact O-CG 3.31Å; A435-Q439 WeakPolarHBondContact O-CG 3.41Å; A435-Q439 PolarHBondContact O-N 2.95Å; M436-Q439 PolarHBondContact O-N 3.48Å; Q439-K441 VanDerWaalsContact C-N 3.27Å; Q439-K441 PolarHBondContact O-N 3.24Å
440	K	90.5	Very high	93.7	Very high	56 Å²	56	23.6 Å²	23.6	24%	0.243	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	11.4	177.2	-52.5	-54.8	177.2	-173.9	0	113.5	V371 L372 I420 M436 C438 L442	V371-K440 HydrophobicContact CG1-CD 4.33Å; V371-K440 HydrophobicContact CG1-CG 3.98Å; L372-K440 WeakPolarHBondContact O-CE 3.49Å; L372-K440 PolarHBondContact O-NZ 3.08Å; I420-K440 HydrophobicContact CD1-CB 4.09Å; I420-K440 HydrophobicContact CD1-CG 4.15Å; M436-K440 HydrophobicContact CG-CG 4.37Å; M436-K440 WeakPolarHBondContact O-CB 3.45Å; M436-K440 WeakPolarHBondContact O-CG 3.27Å; M436-K440 PolarHBondContact O-N 3.22Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 3.47Å; K440-L442 HydrophobicContact CB-CD1 4.4Å; K440-L442 HydrophobicContact CB-CD2 3.92Å; K440-L442 HydrophobicContact CB-CG 3.98Å; K440-L442 WeakPolarHBondContact O-CD2 3.28Å; K440-L442 PolarHBondContact O-N 3.02Å; K440-L442 VanDerWaalsContact O-N 3.1Å
441	K	89.7	Confident	92.5	Very high	142 Å²	142	25.9 Å²	25.9	62%	0.617	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	32.3	174.7	-56	178.8	-178.1	169.7	0	114.6	V437 C438 Q439 S443 M540	V437-K441 PolarHBondContact O-N 3.32Å; C438-K441 PolarHBondContact O-N 3.34Å; Q439-K441 VanDerWaalsContact C-N 3.27Å; Q439-K441 PolarHBondContact O-N 3.24Å; K441-S443 PolarHBondContact O-N 3.13Å; K441-M540 HydrophobicContact CB-CE 3.44Å; K441-M540 VanDerWaalsContact CB-CE 3.44Å; K441-M540 HydrophobicContact CB-SD 4.37Å; K441-M540 HydrophobicContact CD-CE 4.05Å; K441-M540 HydrophobicContact CG-CE 4.36Å
442	L	91.3	Very high	90.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.			trans	-69.8	118.7	-173.7	-50.2	177.2	0	0	0	113.4	I420 V437 K440 R499 P541 L543	I420-L442 HydrophobicContact CD1-CD1 4.06Å; I420-L442 HydrophobicContact CD1-CD2 3.87Å; V437-L442 HydrophobicContact CB-CD1 4.49Å; V437-L442 HydrophobicContact CG1-CB 4.31Å; V437-L442 HydrophobicContact CG2-CD1 4.19Å; V437-L442 PolarHBondContact O-N 2.64Å; V437-L442 VanDerWaalsContact O-N 3.1Å; K440-L442 HydrophobicContact CB-CD1 4.4Å; K440-L442 HydrophobicContact CB-CD2 3.92Å; K440-L442 HydrophobicContact CB-CG 3.98Å; K440-L442 WeakPolarHBondContact O-CD2 3.28Å; K440-L442 PolarHBondContact O-N 3.02Å; K440-L442 VanDerWaalsContact O-N 3.1Å; L442-R499 VanDerWaalsContact N-NH2 3.16Å; L442-R499 PolarHBondContact O-NH2 3.24Å; L442-P541 HydrophobicContact CD2-CB 3.94Å; L442-P541 HydrophobicContact CD2-CG 3.63Å; L442-P541 VanDerWaalsContact CD2-O 3.26Å; L442-P541 WeakPolarHBondContact CD2-O 3.38Å; L442-L543 HydrophobicContact CD1-CB 3.89Å; L442-L543 HydrophobicContact CD1-CD2 4.13Å; L442-L543 HydrophobicContact CD1-CG 4.45Å
443	S	91.5	Very high	88.8	Confident	29 Å²	29	39.1 Å²	39.1	20%	0.203	19%	0.185	C	C	.	.			trans	-88.5	-15.7	177.8	62.5	0	0	0	0	113.5	K441 V501 K502 S537	K441-S443 PolarHBondContact O-N 3.13Å; S443-V501 WeakPolarHBondContact O-CA 3.46Å; S443-K502 PolarHBondContact O-N 3.11Å; S443-S537 PolarHBondContact OG-OG 2.77Å
444	T	95.5	Very high	86.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.3	-168.9	-56.9	0	0	0	0	111.5	K502 F504 V528 I542 L543	T444-K502 CarbonylContact C-O 3.52Å; T444-K502 VanDerWaalsContact CA-O 3.3Å; T444-K502 WeakPolarHBondContact CA-O 3.42Å; T444-F504 HydrophobicContact CG2-CD2 4.01Å; T444-F504 HydrophobicContact CG2-CE2 3.95Å; T444-V528 HydrophobicContact CG2-CG1 3.85Å; T444-I542 HydrophobicContact CG2-CG2 4.24Å; T444-L543 PolarHBondContact O-N 3.08Å
445	I	97.6	Very high	85	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	175.6	-55.6	176.3	0	0	0	108.6	F433 W434 V437 V501 K502 H503 F504 L543	F433-I445 HydrophobicContact CE1-CD1 4.18Å; F433-I445 HydrophobicContact CZ-CD1 4.37Å; F433-I445 HydrophobicContact CZ-CG2 4.41Å; W434-I445 HydrophobicContact CH2-CD1 4.14Å; W434-I445 HydrophobicContact CZ3-CD1 4.04Å; V437-I445 HydrophobicContact CG2-CD1 3.96Å; I445-V501 HydrophobicContact CD1-CG1 3.69Å; I445-V501 HydrophobicContact CG1-CG1 3.71Å; I445-K502 PolarHBondContact N-O 3.43Å; I445-H503 CarbonylContact O-C 3.57Å; I445-H503 WeakPolarHBondContact O-CA 3.24Å; I445-F504 PolarHBondContact O-N 3.13Å; I445-L543 CarbonylContact C-O 3.55Å; I445-L543 WeakPolarHBondContact CA-O 3.48Å; I445-L543 HydrophobicContact CD1-CD2 4.44Å; I445-L543 HydrophobicContact CG1-CB 4.31Å; I445-L543 HydrophobicContact CG1-CD2 4.15Å; I445-L543 HydrophobicContact CG2-CD2 4.24Å; I445-L543 HydrophobicContact CG2-CG 4.4Å
446	V	98	Very high	83.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.5	173.9	-177.8	0	0	0	0	108.3	L448 F504 M524 V528 L543 V544 H545 F556	V446-L448 HydrophobicContact CG1-CD2 3.87Å; V446-L448 HydrophobicContact CG1-CG 4.17Å; V446-F504 CarbonylContact C-O 3.59Å; V446-F504 WeakPolarHBondContact CA-O 3.33Å; V446-M524 HydrophobicContact CG1-CE 3.74Å; V446-V528 HydrophobicContact CG2-CG1 4.1Å; V446-V528 HydrophobicContact CG2-CG2 4.05Å; V446-L543 PolarHBondContact N-O 2.83Å; V446-V544 HydrophobicContact CB-CG1 4.36Å; V446-V544 HydrophobicContact CB-CG2 4.28Å; V446-V544 HydrophobicContact CG1-CG1 4.44Å; V446-V544 CarbonylContact O-C 3.44Å; V446-V544 WeakPolarHBondContact O-CA 3.3Å; V446-H545 PolarHBondContact O-CD2 3.42Å; V446-H545 PolarHBondContact O-N 2.94Å; V446-F556 HydrophobicContact CB-CZ 4.48Å; V446-F556 HydrophobicContact CG1-CD2 4.28Å; V446-F556 HydrophobicContact CG1-CE1 4.34Å; V446-F556 HydrophobicContact CG1-CE2 3.99Å; V446-F556 HydrophobicContact CG1-CZ 4.02Å; V446-F556 HydrophobicContact CG2-CE1 4.2Å; V446-F556 HydrophobicContact CG2-CZ 3.96Å
447	M	97.5	Very high	82.8	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.044	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.6	175.2	177	175.2	-178.4	0	0	109.3	W460 F504 Q505 F506 H545	M447-W460 HydrophobicContact CE-CH2 3.8Å; M447-W460 HydrophobicContact SD-CH2 3.41Å; M447-W460 WeakPolarHBondContact SD-CH2 3.37Å; M447-W460 HydrophobicContact SD-CZ2 4.09Å; M447-W460 HydrophobicContact SD-CZ3 4.08Å; M447-F504 PolarHBondContact N-O 2.83Å; M447-Q505 HydrophobicContact CB-CB 4.31Å; M447-Q505 HydrophobicContact CB-CG 4.35Å; M447-Q505 HydrophobicContact CG-CG 4.15Å; M447-Q505 WeakPolarHBondContact O-CA 3.48Å; M447-Q505 HydrophobicContact SD-CG 4.02Å; M447-F506 PolarHBondContact O-N 3.07Å; M447-H545 WeakPolarHBondContact CB-NE2 3.49Å; M447-H545 VanDerWaalsContact CG-CE1 3.45Å; M447-H545 WeakPolarHBondContact CG-CE1 3.4Å
448	L	96.8	Very high	82.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.			trans	-106.9	1.3	-179.8	-58.8	172	0	0	0	113.1	V446 F506 L521 M524 V544 H545 C546 R552 F556	V446-L448 HydrophobicContact CG1-CD2 3.87Å; V446-L448 HydrophobicContact CG1-CG 4.17Å; L448-F506 HydrophobicContact CD2-CB 4.05Å; L448-L521 HydrophobicContact CD2-CD1 4.15Å; L448-M524 HydrophobicContact CD2-CE 3.81Å; L448-V544 HydrophobicContact CD1-CG1 3.72Å; L448-V544 HydrophobicContact CG-CG1 4.37Å; L448-H545 PolarHBondContact N-O 2.69Å; L448-C546 HydrophobicContact CB-CB 4.07Å; L448-R552 HydrophobicContact CB-CB 3.89Å; L448-R552 HydrophobicContact CD1-CB 4.01Å; L448-R552 WeakPolarHBondContact CD1-O 3.4Å; L448-R552 WeakPolarHBondContact O-CD 3.1Å; L448-R552 PolarHBondContact O-NH1 3Å; L448-F556 HydrophobicContact CD1-CB 3.59Å; L448-F556 HydrophobicContact CD1-CG 4.23Å; L448-F556 HydrophobicContact CD2-CD2 4.21Å
449	S	90.3	Very high	82.5	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.042	31%	0.309	C	S	.	.	S	Bend	trans	-88.9	154.4	177.4	-68.4	0	0	0	0	112.5	D424 C546 N547	D424-S449 VanDerWaalsContact CG-OG 3.23Å; D424-S449 PolarHBondContact OD1-OG 2.79Å; D424-S449 WeakPolarHBondContact OD2-CB 3.38Å; D424-S449 PolarHBondContact OD2-OG 3.21Å; S449-C546 VanDerWaalsContact OG-CA 3.3Å; S449-C546 WeakPolarHBondContact OG-CA 3.43Å; S449-N547 PolarHBondContact OG-N 3.15Å
450	E	82.3	Confident	82.6	Confident	84 Å²	84	57 Å²	57	39%	0.393	30%	0.297	S	S	.	.			trans	-64.7	150.7	167.1	-68.6	-176.7	170	0	0	111.1	E510 G511	E450-E510 WeakPolarHBondContact OE1-CA 3.45Å; E450-G511 PolarHBondContact OE1-N 3.16Å
451	H	70	Confident	82.4	Confident	63 Å²	63	60.2 Å²	60.2	29%	0.292	31%	0.308	S	S	.	.			trans	-107.6	127.5	161.7	179.5	54	0	0	0	108.7
452	K	62.2	Low	82.3	Confident	150 Å²	150	60.8 Å²	60.8	65%	0.652	31%	0.31	S	S	*	.			trans	-96.9	119.4	165.6	-65	-176.2	179.9	-179.8	0	106.9	D454	K452-D454 PolarHBondContact O-N 2.83Å
453	E	51.9	Low	82.2	Confident	176 Å²	176	66.9 Å²	66.9	82%	0.822	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.3	-171.8	-70.4	-176.6	149.6	0	0	113.8
454	D	52.7	Low	82.3	Confident	153 Å²	153	70.7 Å²	70.7	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	105.8	-175.4	-74.6	-31.9	0	0	0	113.5	K452 E456	K452-D454 PolarHBondContact O-N 2.83Å; D454-E456 PolarHBondContact O-N 3.27Å
455	G	60.2	Low	82.2	Confident	80 Å²	80	72.9 Å²	72.9	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-11.2	154.3	0	0	0	0	0	117.7
456	E	67.6	Low	82	Confident	135 Å²	135	76.7 Å²	76.7	63%	0.631	39%	0.385	S	S	*	.			trans	-80.6	131.8	-179.9	-70.3	-65.1	147.4	0	0	111.9	D454 L458	D454-E456 PolarHBondContact O-N 3.27Å; E456-L458 PolarHBondContact O-N 3.03Å
457	P	77.5	Confident	81.8	Confident	60 Å²	60	77.4 Å²	77.4	39%	0.39	39%	0.388	S	S	.	.			trans	-60.7	134	174.1	25.8	-35.2	0	0	0	110.8	P427 F430	P427-P457 HydrophobicContact CB-CB 4.38Å; P427-P457 HydrophobicContact CB-CG 4.04Å; P427-P457 HydrophobicContact CG-CB 4.17Å; P427-P457 HydrophobicContact CG-CG 3.35Å; F430-P457 HydrophobicContact CE2-CB 3.99Å; F430-P457 HydrophobicContact CZ-CB 4.08Å; F430-P457 WeakPolarHBondContact CZ-O 3.21Å
458	L	87.3	Confident	81.6	Confident	34 Å²	34	79.4 Å²	79.4	18%	0.178	41%	0.411	C	S	.	.			trans	-110	145.4	177.8	-70	179.4	0	0	0	110.6	F430 E456 W460 F467	F430-L458 VanDerWaalsContact CE2-O 3.25Å; F430-L458 WeakPolarHBondContact CE2-O 3.35Å; F430-L458 VanDerWaalsContact CZ-C 3.46Å; E456-L458 PolarHBondContact O-N 3.03Å; L458-W460 HydrophobicContact CB-CD2 4.46Å; L458-W460 HydrophobicContact CB-CE3 4.23Å; L458-W460 HydrophobicContact CB-CZ3 4.43Å; L458-W460 WeakPolarHBondContact CB-O 3.29Å; L458-W460 HydrophobicContact CD1-CZ2 4.31Å; L458-W460 HydrophobicContact CD2-CE3 4.23Å; L458-W460 HydrophobicContact CD2-CH2 3.53Å; L458-W460 HydrophobicContact CD2-CZ2 4.02Å; L458-W460 HydrophobicContact CD2-CZ3 3.63Å; L458-W460 PolarHBondContact O-N 3.37Å; L458-F467 WeakPolarHBondContact O-CE1 3.31Å; L458-F467 WeakPolarHBondContact O-CZ 3.45Å
459	Y	92.3	Very high	81.3	Confident	7 Å²	7	81.5 Å²	81.5	3%	0.027	42%	0.422	C	S	.	.	S	Bend	trans	-79	4.9	170.8	67.8	-94.3	0	0	0	112.4	P425 F433 W434 F467 H503 H545	P425-Y459 HydrophobicContact CB-CD1 4.02Å; P425-Y459 HydrophobicContact CB-CG 4.43Å; P425-Y459 HydrophobicContact CG-CD1 3.62Å; P425-Y459 HydrophobicContact CG-CE1 3.94Å; P425-Y459 HydrophobicContact CG-CG 4.13Å; F433-Y459 AromaticContact CD1-CD2 3.91Å; F433-Y459 HydrophobicContact CD1-CD2 3.91Å; F433-Y459 HydrophobicContact CD1-CE2 4.3Å; F433-Y459 HydrophobicContact CD1-CG 4.33Å; F433-Y459 AromaticContact CE1-CD2 3.58Å; F433-Y459 HydrophobicContact CE1-CD2 3.58Å; F433-Y459 AromaticContact CE1-CE2 3.5Å; F433-Y459 HydrophobicContact CE1-CE2 3.5Å; F433-Y459 VanDerWaalsContact CE1-CE2 3.5Å; F433-Y459 HydrophobicContact CE1-CG 4.27Å; F433-Y459 HydrophobicContact CZ-CD2 4.43Å; F433-Y459 HydrophobicContact CZ-CE2 4.04Å; W434-Y459 AromaticContact CE2-CD2 3.9Å; W434-Y459 VanDerWaalsContact CE2-O 3.31Å; W434-Y459 HydrophobicContact CH2-CD2 4.4Å; W434-Y459 HydrophobicContact CH2-CE2 4.49Å; W434-Y459 AromaticContact CZ2-CD2 3.55Å; W434-Y459 HydrophobicContact CZ2-CD2 3.55Å; W434-Y459 HydrophobicContact CZ2-CE2 4.04Å; W434-Y459 VanDerWaalsContact CZ2-O 3.28Å; W434-Y459 WeakPolarHBondContact CZ2-O 3.25Å; W434-Y459 PolarHBondContact NE1-O 3.1Å; Y459-F467 WeakPolarHBondContact O-CE2 3.44Å; Y459-F467 WeakPolarHBondContact O-CZ 3.45Å; Y459-H503 PolarHBondContact OH-CD2 3.23Å; Y459-H503 PolarHBondContact OH-NE2 2.75Å; Y459-H545 AromaticContact CE1-CE1 3.89Å; Y459-H545 AromaticContact CZ-CE1 3.99Å; Y459-H545 AromaticContact CZ-NE2 3.76Å; Y459-H545 PolarHBondContact OH-CE1 3.17Å; Y459-H545 PolarHBondContact OH-NE2 2.88Å
460	W	91.9	Very high	81.5	Confident	11 Å²	11	81.6 Å²	81.6	4%	0.042	42%	0.422	C	S	.	.			trans	-148	152.9	174.4	74.8	97.9	0	0	0	110.9	M447 L458 M488	M447-W460 HydrophobicContact CE-CH2 3.8Å; M447-W460 HydrophobicContact SD-CH2 3.41Å; M447-W460 WeakPolarHBondContact SD-CH2 3.37Å; M447-W460 HydrophobicContact SD-CZ2 4.09Å; M447-W460 HydrophobicContact SD-CZ3 4.08Å; L458-W460 HydrophobicContact CB-CD2 4.46Å; L458-W460 HydrophobicContact CB-CE3 4.23Å; L458-W460 HydrophobicContact CB-CZ3 4.43Å; L458-W460 WeakPolarHBondContact CB-O 3.29Å; L458-W460 HydrophobicContact CD1-CZ2 4.31Å; L458-W460 HydrophobicContact CD2-CE3 4.23Å; L458-W460 HydrophobicContact CD2-CH2 3.53Å; L458-W460 HydrophobicContact CD2-CZ2 4.02Å; L458-W460 HydrophobicContact CD2-CZ3 3.63Å; L458-W460 PolarHBondContact O-N 3.37Å; W460-M488 HydrophobicContact CB-CE 3.69Å; W460-M488 HydrophobicContact CB-SD 4.3Å; W460-M488 HydrophobicContact CD2-CE 4.16Å; W460-M488 HydrophobicContact CG-CE 3.52Å
461	R	87.4	Confident	82.1	Confident	123 Å²	123	79.3 Å²	79.3	46%	0.464	41%	0.411	S	S	.	.			trans	-143.5	165.1	170.9	-77.1	-170.7	-179.8	-167.6	-2.7	110.9	E463 Q465 V474	R461-E463 VanDerWaalsContact C-N 3.35Å; R461-E463 CarbonylContact C-O 3.57Å; R461-Q465 VanDerWaalsContact CD-OE1 3.23Å; R461-V474 VanDerWaalsContact O-CG2 3.3Å; R461-V474 WeakPolarHBondContact O-CG2 3.2Å; R461-V474 PolarHBondContact O-N 3.44Å
462	K	86.6	Confident	83.3	Confident	153 Å²	153	76.3 Å²	76.3	67%	0.665	40%	0.397	S	S	*	.	S	Bend	trans	-61.9	-47.6	173.3	-173.2	176.9	-179.5	178.4	0	110
463	E	89.9	Confident	84.8	Confident	129 Å²	129	72.3 Å²	72.3	60%	0.603	38%	0.381	S	S	*	.	S	Bend	trans	-76	153.2	172.4	-55.2	75.1	-158.8	0	0	111.2	R461 Q465	R461-E463 VanDerWaalsContact C-N 3.35Å; R461-E463 CarbonylContact C-O 3.57Å; E463-Q465 PolarHBondContact O-N 2.92Å
464	K	92.5	Very high	86.9	Confident	108 Å²	108	64.9 Å²	64.9	47%	0.47	35%	0.347	S	S	.	.			trans	-56	122.2	172	-172	-176.7	179.2	-166.7	0	111.1	E471 V472 E473	K464-E471 WeakPolarHBondContact CE-OE1 3.33Å; K464-E471 WeakPolarHBondContact CE-OE2 3.39Å; K464-E471 HydrophobicContact CG-CB 4.47Å; K464-E471 IonicContact NZ-OE1 3.51Å; K464-E471 PolarHBondContact NZ-OE1 2.84Å; K464-E471 IonicContact NZ-OE2 2.72Å; K464-E471 PolarHBondContact NZ-OE2 2.92Å; K464-V472 WeakPolarHBondContact CA-O 2.94Å; K464-E473 HydrophobicContact CB-CB 4.04Å; K464-E473 HydrophobicContact CG-CB 4.42Å
465	Q	93.4	Very high	88.9	Confident	49 Å²	49	61 Å²	61	23%	0.229	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.9	177.9	-169.8	163.5	29	0	0	110.8	R461 E463 F467 E471 V472	R461-Q465 VanDerWaalsContact CD-OE1 3.23Å; E463-Q465 PolarHBondContact O-N 2.92Å; Q465-F467 HydrophobicContact CB-CE2 3.88Å; Q465-F467 HydrophobicContact CB-CZ 3.95Å; Q465-F467 HydrophobicContact CG-CE1 3.92Å; Q465-F467 HydrophobicContact CG-CE2 3.9Å; Q465-F467 HydrophobicContact CG-CZ 3.58Å; Q465-E471 CarbonylContact O-C 3.6Å; Q465-E471 WeakPolarHBondContact O-CA 3.46Å; Q465-V472 PolarHBondContact N-O 3.49Å; Q465-V472 PolarHBondContact O-N 2.96Å
466	T	94.5	Very high	90.6	Very high	80 Å²	80	59.4 Å²	59.4	49%	0.491	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.9	177.2	-52.2	0	0	0	0	110	G468 F470 E471 V493	T466-G468 WeakPolarHBondContact CG2-O 3.42Å; T466-F470 CarbonylContact C-O 3.53Å; T466-F470 WeakPolarHBondContact CA-O 3.42Å; T466-E471 HydrophobicContact CG2-CG 4.37Å; T466-V493 HydrophobicContact CG2-CG2 4.15Å
467	F	93.6	Very high	91.9	Very high	15 Å²	15	56.5 Å²	56.5	7%	0.066	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	90.9	176	-56.8	-76.7	0	0	0	108.6	F430 N431 W434 L458 Y459 Q465 D469 F470 V472	F430-F467 HydrophobicContact CB-CB 4.37Å; F430-F467 HydrophobicContact CB-CD1 3.82Å; F430-F467 HydrophobicContact CB-CE1 4.45Å; F430-F467 HydrophobicContact CB-CG 4.31Å; F430-F467 AromaticContact CD2-CD1 3.69Å; F430-F467 HydrophobicContact CD2-CD1 3.69Å; F430-F467 AromaticContact CD2-CE1 3.58Å; F430-F467 HydrophobicContact CD2-CE1 3.58Å; F430-F467 HydrophobicContact CE2-CE1 4.2Å; F430-F467 HydrophobicContact CG-CD1 4.19Å; F430-F467 HydrophobicContact CG-CE1 4.36Å; N431-F467 PolarHBondContact OD1-O 3.31Å; N431-F467 VanDerWaalsContact OD1-O 3.06Å; W434-F467 AromaticContact CD1-CD2 3.79Å; W434-F467 AromaticContact NE1-CD2 3.69Å; W434-F467 AromaticContact NE1-CE2 3.95Å; L458-F467 WeakPolarHBondContact O-CE1 3.31Å; L458-F467 WeakPolarHBondContact O-CZ 3.45Å; Y459-F467 WeakPolarHBondContact O-CE2 3.44Å; Y459-F467 WeakPolarHBondContact O-CZ 3.45Å; Q465-F467 HydrophobicContact CB-CE2 3.88Å; Q465-F467 HydrophobicContact CB-CZ 3.95Å; Q465-F467 HydrophobicContact CG-CE1 3.92Å; Q465-F467 HydrophobicContact CG-CE2 3.9Å; Q465-F467 HydrophobicContact CG-CZ 3.58Å; F467-D469 PolarHBondContact O-N 3.21Å; F467-D469 VanDerWaalsContact O-N 3.1Å; F467-F470 PolarHBondContact N-O 2.94Å; F467-F470 PolarHBondContact O-N 3.49Å; F467-F470 VanDerWaalsContact O-N 3.14Å; F467-V472 HydrophobicContact CD2-CB 4.33Å; F467-V472 HydrophobicContact CD2-CG2 4.1Å; F467-V472 HydrophobicContact CE2-CB 4.13Å; F467-V472 HydrophobicContact CE2-CG2 4.35Å
468	G	92.1	Very high	92.8	Very high	51 Å²	51	59.4 Å²	59.4	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-114.3	-174.3	0	0	0	0	0	111.4	T466 F470	T466-G468 WeakPolarHBondContact CG2-O 3.42Å; G468-F470 VanDerWaalsContact C-N 3.31Å
469	D	91.6	Very high	93.1	Very high	44 Å²	44	63.4 Å²	63.4	24%	0.235	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.7	-176.4	-59.3	-61.5	0	0	0	113.6	N431 F467 H492 V493 K494	N431-D469 PolarHBondContact OD1-N 3.31Å; N431-D469 VanDerWaalsContact OD1-N 3.13Å; F467-D469 PolarHBondContact O-N 3.21Å; F467-D469 VanDerWaalsContact O-N 3.1Å; D469-H492 CarbonylContact O-C 3.5Å; D469-V493 WeakPolarHBondContact O-CG2 3.36Å; D469-V493 PolarHBondContact O-N 3.07Å; D469-K494 IonicContact OD1-NZ 3.69Å
470	F	93.8	Very high	93.2	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139	-174.2	-59.6	-81.1	0	0	0	112.3	N431 W434 A435 C438 T466 F467 G468 L490 R491 H492	N431-F470 WeakPolarHBondContact OD1-CD2 3.27Å; W434-F470 HydrophobicContact CB-CB 3.94Å; W434-F470 HydrophobicContact CB-CD1 4.5Å; W434-F470 HydrophobicContact CB-CD2 3.83Å; W434-F470 HydrophobicContact CB-CG 3.81Å; A435-F470 HydrophobicContact CB-CE2 3.73Å; A435-F470 HydrophobicContact CB-CZ 4.03Å; C438-F470 HydrophobicContact CB-CD1 4.42Å; C438-F470 HydrophobicContact CB-CE1 3.52Å; C438-F470 HydrophobicContact CB-CZ 3.98Å; T466-F470 CarbonylContact C-O 3.53Å; T466-F470 WeakPolarHBondContact CA-O 3.42Å; F467-F470 PolarHBondContact N-O 2.94Å; F467-F470 PolarHBondContact O-N 3.49Å; F467-F470 VanDerWaalsContact O-N 3.14Å; G468-F470 VanDerWaalsContact C-N 3.31Å; F470-L490 HydrophobicContact CB-CD1 3.89Å; F470-L490 HydrophobicContact CD1-CD1 3.86Å; F470-L490 HydrophobicContact CG-CD1 4.2Å; F470-R491 CarbonylContact C-O 3.59Å; F470-R491 WeakPolarHBondContact CA-O 3.42Å; F470-H492 AromaticContact CE1-CD2 3.52Å; F470-H492 AromaticContact CZ-CD2 3.86Å
471	E	94.9	Very high	93.3	Very high	36 Å²	36	68 Å²	68	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.4	169	-52.2	-178.6	124.3	0	0	109.1	K464 Q465 T466 R491 V493	K464-E471 WeakPolarHBondContact CE-OE1 3.33Å; K464-E471 WeakPolarHBondContact CE-OE2 3.39Å; K464-E471 HydrophobicContact CG-CB 4.47Å; K464-E471 IonicContact NZ-OE1 3.51Å; K464-E471 PolarHBondContact NZ-OE1 2.84Å; K464-E471 IonicContact NZ-OE2 2.72Å; K464-E471 PolarHBondContact NZ-OE2 2.92Å; Q465-E471 CarbonylContact O-C 3.6Å; Q465-E471 WeakPolarHBondContact O-CA 3.46Å; T466-E471 HydrophobicContact CG2-CG 4.37Å; E471-R491 HydrophobicContact CB-CB 4.42Å; E471-R491 PolarHBondContact N-O 3.45Å; E471-R491 PolarHBondContact O-N 3.25Å; E471-R491 WeakPolarHBondContact OE2-CD 3.49Å; E471-V493 HydrophobicContact CG-CG2 3.62Å
472	V	95.5	Very high	93.6	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131	-176.8	-175.5	0	0	0	0	109.5	W434 K464 Q465 F467 M488 L489 L490	W434-V472 HydrophobicContact CD2-CG2 3.77Å; W434-V472 HydrophobicContact CE3-CG2 4.25Å; W434-V472 HydrophobicContact CG-CG2 4.11Å; W434-V472 HydrophobicContact CH2-CG1 3.91Å; W434-V472 HydrophobicContact CH2-CG2 4.35Å; W434-V472 HydrophobicContact CZ2-CB 4.27Å; W434-V472 HydrophobicContact CZ2-CG1 3.63Å; W434-V472 HydrophobicContact CZ2-CG2 3.87Å; K464-V472 WeakPolarHBondContact CA-O 2.94Å; Q465-V472 PolarHBondContact N-O 3.49Å; Q465-V472 PolarHBondContact O-N 2.96Å; F467-V472 HydrophobicContact CD2-CB 4.33Å; F467-V472 HydrophobicContact CD2-CG2 4.1Å; F467-V472 HydrophobicContact CE2-CB 4.13Å; F467-V472 HydrophobicContact CE2-CG2 4.35Å; V472-M488 HydrophobicContact CG1-CB 4.48Å; V472-L489 WeakPolarHBondContact CA-O 3.17Å; V472-L490 HydrophobicContact CG2-CD1 3.63Å
473	E	94.6	Very high	94	Very high	67 Å²	67	56.5 Å²	56.5	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.6	172.2	63.5	-175.6	-173.3	0	0	110.5	K464 M488 L489	K464-E473 HydrophobicContact CB-CB 4.04Å; K464-E473 HydrophobicContact CG-CB 4.42Å; E473-M488 CarbonylContact O-C 3.53Å; E473-M488 WeakPolarHBondContact O-CA 3.32Å; E473-L489 HydrophobicContact CG-CB 3.82Å; E473-L489 HydrophobicContact CG-CD2 4.43Å; E473-L489 PolarHBondContact N-O 3.35Å; E473-L489 VanDerWaalsContact N-O 3.1Å; E473-L489 PolarHBondContact O-N 2.87Å; E473-L489 VanDerWaalsContact OE1-CD2 3.27Å; E473-L489 WeakPolarHBondContact OE1-CD2 3.37Å
474	V	95.5	Very high	94.2	Very high	20 Å²	20	51.4 Å²	51.4	12%	0.121	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.4	171.9	175.7	0	0	0	0	108.6	R461 S476 T477 R486 T487 M488	R461-V474 VanDerWaalsContact O-CG2 3.3Å; R461-V474 WeakPolarHBondContact O-CG2 3.2Å; R461-V474 PolarHBondContact O-N 3.44Å; V474-S476 WeakPolarHBondContact CG1-O 3.44Å; V474-T477 WeakPolarHBondContact CG1-OG1 3.34Å; V474-R486 HydrophobicContact CG1-CB 4.09Å; V474-R486 HydrophobicContact CG1-CG 4.37Å; V474-T487 CarbonylContact C-O 3.47Å; V474-M488 HydrophobicContact CG2-CE 4.24Å; V474-M488 HydrophobicContact CG2-CG 4.16Å
475	S	94.4	Very high	94.4	Very high	72 Å²	72	46.8 Å²	46.8	50%	0.503	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-32.3	-179	61.7	0	0	0	0	113.2	T487	S475-T487 PolarHBondContact N-O 2.96Å; S475-T487 WeakPolarHBondContact OG-CB 3.31Å; S475-T487 WeakPolarHBondContact OG-CG2 3.49Å; S475-T487 PolarHBondContact OG-O 2.96Å
476	S	95.4	Very high	94.5	Very high	46 Å²	46	45.8 Å²	45.8	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.2	173.7	75.3	0	0	0	0	111.8	V474 R486 T487	V474-S476 WeakPolarHBondContact CG1-O 3.44Å; S476-R486 CarbonylContact O-C 3.46Å; S476-R486 VanDerWaalsContact O-CA 3.31Å; S476-R486 WeakPolarHBondContact O-CA 3.38Å; S476-T487 PolarHBondContact N-O 3.24Å; S476-T487 PolarHBondContact O-N 3.41Å; S476-T487 VanDerWaalsContact OG-CB 3.27Å; S476-T487 WeakPolarHBondContact OG-CB 3.4Å; S476-T487 PolarHBondContact OG-OG1 3.04Å
477	T	96	Very high	94.6	Very high	73 Å²	73	42.9 Å²	42.9	45%	0.448	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.3	174.8	-61.4	0	0	0	0	109.2	V474 I479 I484 T485 R486	V474-T477 WeakPolarHBondContact CG1-OG1 3.34Å; T477-I479 HydrophobicContact CG2-CD1 4.4Å; T477-I479 HydrophobicContact CG2-CG1 3.96Å; T477-I484 HydrophobicContact CG2-CG2 3.63Å; T477-T485 CarbonylContact C-O 3.51Å; T477-T485 WeakPolarHBondContact CA-O 3.48Å; T477-R486 HydrophobicContact CG2-CG 4.19Å
478	E	95.5	Very high	94.6	Very high	121 Å²	121	42.2 Å²	42.2	57%	0.565	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	174.8	-65.1	171.4	-158.2	0	0	107.5	I484 T485	E478-I484 CarbonylContact O-C 3.6Å; E478-I484 WeakPolarHBondContact O-CA 3.34Å; E478-T485 PolarHBondContact N-O 3.2Å; E478-T485 PolarHBondContact O-N 3.01Å
479	I	94.6	Very high	94.7	Very high	118 Å²	118	41.3 Å²	41.3	61%	0.605	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	129	-175.7	-57.8	176.2	0	0	0	108.2	T477 I484	T477-I479 HydrophobicContact CG2-CD1 4.4Å; T477-I479 HydrophobicContact CG2-CG1 3.96Å; I479-I484 HydrophobicContact CG1-CG1 4.32Å; I479-I484 HydrophobicContact CG1-CG2 4.24Å; I479-I484 HydrophobicContact CG2-CG1 4.33Å
480	T	93.9	Very high	94.9	Very high	29 Å²	29	39.3 Å²	39.3	18%	0.178	22%	0.218	C	C	.	.			trans	-115.4	165.6	166.6	73.7	0	0	0	0	109	V482 F483	T480-V482 PolarHBondContact O-N 3.32Å; T480-V482 VanDerWaalsContact O-N 3.07Å; T480-V482 PolarHBondContact OG1-N 3.19Å; T480-F483 HydrophobicContact CG2-CE2 4.33Å; T480-F483 HydrophobicContact CG2-CZ 4.33Å; T480-F483 PolarHBondContact N-O 2.72Å; T480-F483 PolarHBondContact OG1-N 2.98Å; T480-F483 PolarHBondContact OG1-O 3.05Å
481	P	92.9	Very high	94.8	Very high	85 Å²	85	43.1 Å²	43.1	55%	0.552	23%	0.233	S	C	*	.	S	Bend	trans	-59.3	-19.8	173.5	-25.5	36.2	0	0	0	114	K508 V621	P481-K508 WeakPolarHBondContact O-CE 3.15Å; P481-K508 PolarHBondContact O-NZ 2.96Å; P481-V621 HydrophobicContact CG-CG1 4.43Å
482	V	93.8	Very high	94.5	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.109	23%	0.228	C	C	.	.	S	Bend	trans	-104.3	-40.9	-171.8	179.9	0	0	0	0	112.6	T480 F506 L507 K508 E520	T480-V482 PolarHBondContact O-N 3.32Å; T480-V482 VanDerWaalsContact O-N 3.07Å; T480-V482 PolarHBondContact OG1-N 3.19Å; V482-F506 HydrophobicContact CG1-CD2 4.05Å; V482-F506 HydrophobicContact CG1-CE2 3.51Å; V482-F506 HydrophobicContact CG1-CZ 4.48Å; V482-L507 WeakPolarHBondContact O-CB 3.41Å; V482-L507 PolarHBondContact O-N 3.33Å; V482-K508 HydrophobicContact CG1-CG 4.25Å; V482-E520 HydrophobicContact CG1-CB 3.69Å; V482-E520 HydrophobicContact CG1-CG 4.34Å; V482-E520 WeakPolarHBondContact CG1-O 3.41Å; V482-E520 HydrophobicContact CG2-CB 4.34Å; V482-E520 HydrophobicContact CG2-CG 4.08Å
483	F	94.9	Very high	94.2	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.3	-177.9	61	-93.6	0	0	0	112.1	T480 F504 Q505 M524 E527	T480-F483 HydrophobicContact CG2-CE2 4.33Å; T480-F483 HydrophobicContact CG2-CZ 4.33Å; T480-F483 PolarHBondContact N-O 2.72Å; T480-F483 PolarHBondContact OG1-N 2.98Å; T480-F483 PolarHBondContact OG1-O 3.05Å; F483-F504 HydrophobicContact CD2-CD1 4.29Å; F483-F504 HydrophobicContact CE2-CD1 4.32Å; F483-Q505 CarbonylContact C-O 3.59Å; F483-Q505 WeakPolarHBondContact CA-O 3.4Å; F483-Q505 VanDerWaalsContact CB-O 3.23Å; F483-Q505 WeakPolarHBondContact CB-O 3.33Å; F483-M524 HydrophobicContact CB-CG 4.07Å; F483-M524 HydrophobicContact CB-SD 3.77Å; F483-M524 HydrophobicContact CD1-CB 3.72Å; F483-M524 HydrophobicContact CD1-CG 3.76Å; F483-M524 HydrophobicContact CD2-CG 4.33Å; F483-M524 HydrophobicContact CE1-CB 4.1Å; F483-M524 HydrophobicContact CE1-CG 4.28Å; F483-M524 HydrophobicContact CG-CB 4.28Å; F483-M524 HydrophobicContact CG-CG 3.8Å; F483-M524 HydrophobicContact CG-SD 4.19Å; F483-E527 HydrophobicContact CE2-CG 4.12Å; F483-E527 HydrophobicContact CZ-CB 3.99Å; F483-E527 HydrophobicContact CZ-CG 3.86Å
484	I	95.3	Very high	93.7	Very high	22 Å²	22	49.2 Å²	49.2	11%	0.113	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.8	171.6	-56.6	176.8	0	0	0	108.4	T477 E478 I479 R486 F504 Q505 L507	T477-I484 HydrophobicContact CG2-CG2 3.63Å; E478-I484 CarbonylContact O-C 3.6Å; E478-I484 WeakPolarHBondContact O-CA 3.34Å; I479-I484 HydrophobicContact CG1-CG1 4.32Å; I479-I484 HydrophobicContact CG1-CG2 4.24Å; I479-I484 HydrophobicContact CG2-CG1 4.33Å; I484-R486 HydrophobicContact CG2-CG 4.03Å; I484-F504 CarbonylContact O-C 3.48Å; I484-F504 WeakPolarHBondContact O-CA 3.42Å; I484-Q505 HydrophobicContact CB-CB 4.37Å; I484-Q505 PolarHBondContact N-O 3.08Å; I484-Q505 PolarHBondContact O-N 3.3Å; I484-L507 HydrophobicContact CD1-CD1 4.28Å; I484-L507 HydrophobicContact CD1-CD2 3.89Å; I484-L507 HydrophobicContact CG1-CD1 3.86Å; I484-L507 HydrophobicContact CG1-CD2 4.01Å; I484-L507 HydrophobicContact CG1-CG 4.16Å
485	T	96.5	Very high	93	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.2	168.9	-53.7	0	0	0	0	109.1	T477 E478 H503 F504	T477-T485 CarbonylContact C-O 3.51Å; T477-T485 WeakPolarHBondContact CA-O 3.48Å; E478-T485 PolarHBondContact N-O 3.2Å; E478-T485 PolarHBondContact O-N 3.01Å; T485-H503 CarbonylContact C-O 3.54Å; T485-H503 VanDerWaalsContact CA-O 3.32Å; T485-H503 WeakPolarHBondContact CA-O 3.36Å; T485-F504 HydrophobicContact CG2-CD1 4.08Å; T485-F504 HydrophobicContact CG2-CE1 3.72Å; T485-F504 HydrophobicContact CG2-CZ 3.99Å; T485-F504 WeakPolarHBondContact OG1-CD1 3.3Å; T485-F504 WeakPolarHBondContact OG1-CE1 3.47Å
486	R	95.8	Very high	91.9	Very high	27 Å²	27	58.7 Å²	58.7	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.8	174.5	-56.3	-179.6	-178.1	87.3	-0.9	109.5	V474 S476 T477 I484 M488 K502 H503 Q505	V474-R486 HydrophobicContact CG1-CB 4.09Å; V474-R486 HydrophobicContact CG1-CG 4.37Å; S476-R486 CarbonylContact O-C 3.46Å; S476-R486 VanDerWaalsContact O-CA 3.31Å; S476-R486 WeakPolarHBondContact O-CA 3.38Å; T477-R486 HydrophobicContact CG2-CG 4.19Å; I484-R486 HydrophobicContact CG2-CG 4.03Å; R486-M488 HydrophobicContact CB-CE 4.17Å; R486-M488 HydrophobicContact CB-CG 4.4Å; R486-K502 WeakPolarHBondContact O-CA 3.26Å; R486-H503 HydrophobicContact CB-CB 4.22Å; R486-H503 PolarHBondContact N-O 2.86Å; R486-H503 PolarHBondContact NH1-CE1 3.36Å; R486-H503 VanDerWaalsContact NH1-CE1 3.26Å; R486-H503 PolarHBondContact NH1-ND1 3.42Å; R486-H503 VanDerWaalsContact NH1-ND1 3.16Å; R486-H503 PolarHBondContact O-N 2.94Å; R486-Q505 VanDerWaalsContact CZ-OE1 3.32Å
487	T	95.8	Very high	91.1	Very high	20 Å²	20	62.4 Å²	62.4	12%	0.123	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	163.2	-54.1	0	0	0	0	107.4	V474 S475 S476 Q500	V474-T487 CarbonylContact C-O 3.47Å; S475-T487 PolarHBondContact N-O 2.96Å; S475-T487 WeakPolarHBondContact OG-CB 3.31Å; S475-T487 WeakPolarHBondContact OG-CG2 3.49Å; S475-T487 PolarHBondContact OG-O 2.96Å; S476-T487 PolarHBondContact N-O 3.24Å; S476-T487 PolarHBondContact O-N 3.41Å; S476-T487 VanDerWaalsContact OG-CB 3.27Å; S476-T487 WeakPolarHBondContact OG-CB 3.4Å; S476-T487 PolarHBondContact OG-OG1 3.04Å; T487-Q500 HydrophobicContact CG2-CB 4.35Å; T487-Q500 HydrophobicContact CG2-CG 4.3Å
488	M	95.2	Very high	90.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.8	-179.8	-61.7	178.8	172.1	0	0	109.5	W434 W460 V472 E473 V474 R486 Q500 V501 H503	W434-M488 HydrophobicContact CH2-SD 3.82Å; W434-M488 HydrophobicContact CZ2-SD 4.4Å; W460-M488 HydrophobicContact CB-CE 3.69Å; W460-M488 HydrophobicContact CB-SD 4.3Å; W460-M488 HydrophobicContact CD2-CE 4.16Å; W460-M488 HydrophobicContact CG-CE 3.52Å; V472-M488 HydrophobicContact CG1-CB 4.48Å; E473-M488 CarbonylContact O-C 3.53Å; E473-M488 WeakPolarHBondContact O-CA 3.32Å; V474-M488 HydrophobicContact CG2-CE 4.24Å; V474-M488 HydrophobicContact CG2-CG 4.16Å; R486-M488 HydrophobicContact CB-CE 4.17Å; R486-M488 HydrophobicContact CB-CG 4.4Å; M488-Q500 CarbonylContact O-C 3.48Å; M488-Q500 VanDerWaalsContact O-CA 3.32Å; M488-Q500 WeakPolarHBondContact O-CA 3.36Å; M488-V501 WeakPolarHBondContact CB-O 3.4Å; M488-V501 PolarHBondContact N-O 2.83Å; M488-V501 PolarHBondContact O-N 3.32Å; M488-H503 HydrophobicContact CE-CB 3.46Å; M488-H503 VanDerWaalsContact CE-CB 3.46Å; M488-H503 HydrophobicContact CG-CB 4.33Å; M488-H503 HydrophobicContact SD-CB 3.72Å
489	L	94.1	Very high	90.3	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.9	169.8	-171.7	70.2	0	0	0	108.8	V472 E473 Q500	V472-L489 WeakPolarHBondContact CA-O 3.17Å; E473-L489 HydrophobicContact CG-CB 3.82Å; E473-L489 HydrophobicContact CG-CD2 4.43Å; E473-L489 PolarHBondContact N-O 3.35Å; E473-L489 VanDerWaalsContact N-O 3.1Å; E473-L489 PolarHBondContact O-N 2.87Å; E473-L489 VanDerWaalsContact OE1-CD2 3.27Å; E473-L489 WeakPolarHBondContact OE1-CD2 3.37Å; L489-Q500 HydrophobicContact CD1-CG 4.24Å
490	L	93.9	Very high	90.2	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.6	176.1	171.9	68	0	0	0	109.2	W434 V437 C438 F470 V472 S498 R499 V501	W434-L490 HydrophobicContact CB-CD1 4.39Å; W434-L490 HydrophobicContact CD2-CD1 4.2Å; W434-L490 HydrophobicContact CE3-CD1 3.83Å; W434-L490 HydrophobicContact CE3-CD2 3.97Å; W434-L490 HydrophobicContact CE3-CG 4.44Å; W434-L490 HydrophobicContact CG-CD1 4.45Å; W434-L490 HydrophobicContact CZ3-CD1 4.46Å; W434-L490 HydrophobicContact CZ3-CD2 4.36Å; V437-L490 HydrophobicContact CG1-CD2 3.89Å; C438-L490 HydrophobicContact CB-CD2 4.45Å; F470-L490 HydrophobicContact CB-CD1 3.89Å; F470-L490 HydrophobicContact CD1-CD1 3.86Å; F470-L490 HydrophobicContact CG-CD1 4.2Å; V472-L490 HydrophobicContact CG2-CD1 3.63Å; L490-S498 WeakPolarHBondContact O-CA 3.36Å; L490-R499 HydrophobicContact CB-CG 3.97Å; L490-R499 HydrophobicContact CD2-CG 4.1Å; L490-R499 HydrophobicContact CG-CG 4.2Å; L490-R499 PolarHBondContact N-O 3.24Å; L490-R499 PolarHBondContact O-N 3.22Å; L490-V501 HydrophobicContact CB-CG2 4.41Å; L490-V501 HydrophobicContact CD2-CG2 4.47Å
491	R	91.6	Very high	90.2	Very high	89 Å²	89	58.1 Å²	58.1	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.3	177.8	-176.9	-173.4	-61.3	-88.5	-1.3	109.8	F470 E471	F470-R491 CarbonylContact C-O 3.59Å; F470-R491 WeakPolarHBondContact CA-O 3.42Å; E471-R491 HydrophobicContact CB-CB 4.42Å; E471-R491 PolarHBondContact N-O 3.45Å; E471-R491 PolarHBondContact O-N 3.25Å; E471-R491 WeakPolarHBondContact OE2-CD 3.49Å
492	H	90.1	Very high	90.3	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.065	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.3	168.5	-166.3	-79.2	0	0	0	109.4	E376 D469 F470 K494 R495	E376-H492 IonicContact OE1-CE1 3.73Å; E376-H492 PolarHBondContact OE1-CE1 3.47Å; E376-H492 VanDerWaalsContact OE1-CE1 3.23Å; E376-H492 IonicContact OE1-NE2 2.77Å; E376-H492 PolarHBondContact OE1-NE2 2.93Å; D469-H492 CarbonylContact O-C 3.5Å; F470-H492 AromaticContact CE1-CD2 3.52Å; F470-H492 AromaticContact CZ-CD2 3.86Å; H492-K494 PolarHBondContact ND1-N 3.45Å; H492-K494 VanDerWaalsContact ND1-N 3.18Å; H492-K494 PolarHBondContact O-N 2.87Å; H492-R495 HydrophobicContact CB-CB 3.91Å; H492-R495 HydrophobicContact CB-CG 4.17Å; H492-R495 PolarHBondContact ND1-N 2.97Å; H492-R495 PolarHBondContact O-N 3Å
493	V	88.1	Confident	90.4	Very high	76 Å²	76	57 Å²	57	46%	0.461	27%	0.268	S	S	.	.	S	Bend	trans	-58.8	-37.5	-175.9	176	0	0	0	0	111.6	T466 D469 E471	T466-V493 HydrophobicContact CG2-CG2 4.15Å; D469-V493 WeakPolarHBondContact O-CG2 3.36Å; D469-V493 PolarHBondContact O-N 3.07Å; E471-V493 HydrophobicContact CG-CG2 3.62Å
494	K	84.4	Confident	90.5	Very high	140 Å²	140	56.2 Å²	56.2	61%	0.609	26%	0.264	S	S	*	.	S	Bend	trans	-88.5	-20.3	-179.5	-54.2	178.2	-168	163.5	0	115	E376 D469 H492	E376-K494 IonicContact OE2-NZ 3.61Å; E376-K494 PolarHBondContact OE2-NZ 3.19Å; D469-K494 IonicContact OD1-NZ 3.69Å; H492-K494 PolarHBondContact ND1-N 3.45Å; H492-K494 VanDerWaalsContact ND1-N 3.18Å; H492-K494 PolarHBondContact O-N 2.87Å
495	R	80.3	Confident	90.6	Very high	95 Å²	95	55.5 Å²	55.5	36%	0.358	26%	0.26	S	S	.	.	S	Bend	trans	-107	149.1	-176.3	-51.6	-179	-172.7	-166.6	1.9	109.6	N379 H492 D497	N379-R495 PolarHBondContact ND2-NH2 2.81Å; N379-R495 PolarHBondContact OD1-NH2 3.39Å; H492-R495 HydrophobicContact CB-CB 3.91Å; H492-R495 HydrophobicContact CB-CG 4.17Å; H492-R495 PolarHBondContact ND1-N 2.97Å; H492-R495 PolarHBondContact O-N 3Å; R495-D497 PolarHBondContact O-N 3.38Å
496	K	72.7	Confident	90.6	Very high	196 Å²	196	55.1 Å²	55.1	85%	0.852	26%	0.258	S	S	*	.	S	Bend	trans	-78.1	-10.7	179.9	-72.4	-173.3	177.7	178.9	0	113.3
497	D	77.4	Confident	90.5	Very high	124 Å²	124	56.7 Å²	56.7	66%	0.663	27%	0.268	S	S	*	.			trans	-75.2	134.5	-174.8	-52.9	-35.5	0	0	0	111.2	R495	R495-D497 PolarHBondContact O-N 3.38Å
498	S	85.4	Confident	90.3	Very high	61 Å²	61	59.1 Å²	59.1	43%	0.427	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.3	173.5	64.1	0	0	0	0	109.4	L490	L490-S498 WeakPolarHBondContact O-CA 3.36Å
499	R	89.2	Confident	90.2	Very high	56 Å²	56	59.5 Å²	59.5	21%	0.211	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.7	-177.6	53.7	-177.7	-91.3	-172.3	-16.6	110.6	V437 C438 L442 L490	V437-R499 VanDerWaalsContact C-NH2 3.28Å; V437-R499 VanDerWaalsContact O-CZ 3.24Å; V437-R499 PolarHBondContact O-NH1 3.43Å; V437-R499 PolarHBondContact O-NH2 3.06Å; C438-R499 PolarHBondContact O-NH1 3.45Å; L442-R499 VanDerWaalsContact N-NH2 3.16Å; L442-R499 PolarHBondContact O-NH2 3.24Å; L490-R499 HydrophobicContact CB-CG 3.97Å; L490-R499 HydrophobicContact CD2-CG 4.1Å; L490-R499 HydrophobicContact CG-CG 4.2Å; L490-R499 PolarHBondContact N-O 3.24Å; L490-R499 PolarHBondContact O-N 3.22Å
500	Q	92.2	Very high	89.6	Confident	135 Å²	135	64.7 Å²	64.7	63%	0.631	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.6	172	-69.4	-176.2	-4.5	0	0	109.8	T487 M488 L489	T487-Q500 HydrophobicContact CG2-CB 4.35Å; T487-Q500 HydrophobicContact CG2-CG 4.3Å; M488-Q500 CarbonylContact O-C 3.48Å; M488-Q500 VanDerWaalsContact O-CA 3.32Å; M488-Q500 WeakPolarHBondContact O-CA 3.36Å; L489-Q500 HydrophobicContact CD1-CG 4.24Å
501	V	93.9	Very high	89.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.2	174.7	-178	0	0	0	0	107.4	V437 S443 I445 M488 L490	V437-V501 HydrophobicContact CG1-CG2 4.13Å; S443-V501 WeakPolarHBondContact O-CA 3.46Å; I445-V501 HydrophobicContact CD1-CG1 3.69Å; I445-V501 HydrophobicContact CG1-CG1 3.71Å; M488-V501 WeakPolarHBondContact CB-O 3.4Å; M488-V501 PolarHBondContact N-O 2.83Å; M488-V501 PolarHBondContact O-N 3.32Å; L490-V501 HydrophobicContact CB-CG2 4.41Å; L490-V501 HydrophobicContact CD2-CG2 4.47Å
502	K	95.5	Very high	88.7	Confident	80 Å²	80	69.3 Å²	69.3	35%	0.348	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.3	173	-73.5	-174.3	173.6	-166.9	0	109.7	S443 T444 I445 R486 F504 S531	S443-K502 PolarHBondContact O-N 3.11Å; T444-K502 CarbonylContact C-O 3.52Å; T444-K502 VanDerWaalsContact CA-O 3.3Å; T444-K502 WeakPolarHBondContact CA-O 3.42Å; I445-K502 PolarHBondContact N-O 3.43Å; R486-K502 WeakPolarHBondContact O-CA 3.26Å; K502-F504 HydrophobicContact CB-CE2 3.85Å; K502-S531 WeakPolarHBondContact CD-OG 3.33Å; K502-S531 WeakPolarHBondContact CE-OG 3.44Å; K502-S531 PolarHBondContact NZ-OG 3.3Å
503	H	96.6	Very high	88.6	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.4	179.8	174.2	-91.6	0	0	0	109.3	I445 Y459 T485 R486 M488	I445-H503 CarbonylContact O-C 3.57Å; I445-H503 WeakPolarHBondContact O-CA 3.24Å; Y459-H503 PolarHBondContact OH-CD2 3.23Å; Y459-H503 PolarHBondContact OH-NE2 2.75Å; T485-H503 CarbonylContact C-O 3.54Å; T485-H503 VanDerWaalsContact CA-O 3.32Å; T485-H503 WeakPolarHBondContact CA-O 3.36Å; R486-H503 HydrophobicContact CB-CB 4.22Å; R486-H503 PolarHBondContact N-O 2.86Å; R486-H503 PolarHBondContact NH1-CE1 3.36Å; R486-H503 VanDerWaalsContact NH1-CE1 3.26Å; R486-H503 PolarHBondContact NH1-ND1 3.42Å; R486-H503 VanDerWaalsContact NH1-ND1 3.16Å; R486-H503 PolarHBondContact O-N 2.94Å; M488-H503 HydrophobicContact CE-CB 3.46Å; M488-H503 VanDerWaalsContact CE-CB 3.46Å; M488-H503 HydrophobicContact CG-CB 4.33Å; M488-H503 HydrophobicContact SD-CB 3.72Å
504	F	97.2	Very high	88.9	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	178.2	-65.7	-95.3	0	0	0	108.5	T444 I445 V446 M447 F483 I484 T485 K502 E527 V528	T444-F504 HydrophobicContact CG2-CD2 4.01Å; T444-F504 HydrophobicContact CG2-CE2 3.95Å; I445-F504 PolarHBondContact O-N 3.13Å; V446-F504 CarbonylContact C-O 3.59Å; V446-F504 WeakPolarHBondContact CA-O 3.33Å; M447-F504 PolarHBondContact N-O 2.83Å; F483-F504 HydrophobicContact CD2-CD1 4.29Å; F483-F504 HydrophobicContact CE2-CD1 4.32Å; I484-F504 CarbonylContact O-C 3.48Å; I484-F504 WeakPolarHBondContact O-CA 3.42Å; T485-F504 HydrophobicContact CG2-CD1 4.08Å; T485-F504 HydrophobicContact CG2-CE1 3.72Å; T485-F504 HydrophobicContact CG2-CZ 3.99Å; T485-F504 WeakPolarHBondContact OG1-CD1 3.3Å; T485-F504 WeakPolarHBondContact OG1-CE1 3.47Å; K502-F504 HydrophobicContact CB-CE2 3.85Å; F504-E527 HydrophobicContact CE1-CG 4.02Å; F504-V528 HydrophobicContact CB-CG2 4.16Å; F504-V528 HydrophobicContact CD1-CG2 3.89Å; F504-V528 HydrophobicContact CD2-CG2 3.83Å; F504-V528 HydrophobicContact CE1-CG2 4.21Å; F504-V528 HydrophobicContact CE2-CG2 4.16Å; F504-V528 HydrophobicContact CG-CG2 3.69Å; F504-V528 HydrophobicContact CZ-CG2 4.33Å
505	Q	96.3	Very high	89.3	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.028	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.3	176.6	-178.5	-177	1.3	0	0	110	M447 F483 I484 R486 L507	M447-Q505 HydrophobicContact CB-CB 4.31Å; M447-Q505 HydrophobicContact CB-CG 4.35Å; M447-Q505 HydrophobicContact CG-CG 4.15Å; M447-Q505 WeakPolarHBondContact O-CA 3.48Å; M447-Q505 HydrophobicContact SD-CG 4.02Å; F483-Q505 CarbonylContact C-O 3.59Å; F483-Q505 WeakPolarHBondContact CA-O 3.4Å; F483-Q505 VanDerWaalsContact CB-O 3.23Å; F483-Q505 WeakPolarHBondContact CB-O 3.33Å; I484-Q505 HydrophobicContact CB-CB 4.37Å; I484-Q505 PolarHBondContact N-O 3.08Å; I484-Q505 PolarHBondContact O-N 3.3Å; R486-Q505 VanDerWaalsContact CZ-OE1 3.32Å; Q505-L507 HydrophobicContact CG-CD2 4.43Å
506	F	96.1	Very high	89.8	Confident	3 Å²	3	70.1 Å²	70.1	1%	0.013	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.7	176.2	-168	-116.7	0	0	0	110.9	M447 L448 V482 K508 W509 P515 E520 L521 M524	M447-F506 PolarHBondContact O-N 3.07Å; L448-F506 HydrophobicContact CD2-CB 4.05Å; V482-F506 HydrophobicContact CG1-CD2 4.05Å; V482-F506 HydrophobicContact CG1-CE2 3.51Å; V482-F506 HydrophobicContact CG1-CZ 4.48Å; F506-K508 HydrophobicContact CE1-CB 3.77Å; F506-K508 HydrophobicContact CE2-CB 4.21Å; F506-K508 HydrophobicContact CZ-CB 3.59Å; F506-K508 HydrophobicContact CZ-CG 4.44Å; F506-W509 HydrophobicContact CD1-CB 3.78Å; F506-W509 AromaticContact CD1-CE3 3.85Å; F506-W509 HydrophobicContact CD1-CE3 3.85Å; F506-W509 HydrophobicContact CE1-CB 3.99Å; F506-W509 AromaticContact CE1-CE3 3.92Å; F506-W509 HydrophobicContact CE1-CE3 3.92Å; F506-P515 HydrophobicContact CE1-CB 4.42Å; F506-P515 HydrophobicContact CE1-CG 3.91Å; F506-P515 HydrophobicContact CZ-CG 4.5Å; F506-E520 HydrophobicContact CE2-CB 4.26Å; F506-E520 HydrophobicContact CZ-CB 4.24Å; F506-L521 HydrophobicContact CD1-CD1 4.06Å; F506-L521 HydrophobicContact CD2-CD1 4.1Å; F506-L521 HydrophobicContact CE1-CD1 4.05Å; F506-L521 HydrophobicContact CE2-CB 4.19Å; F506-L521 HydrophobicContact CE2-CD1 4.07Å; F506-L521 HydrophobicContact CG-CD1 4.08Å; F506-L521 HydrophobicContact CZ-CB 3.9Å; F506-L521 HydrophobicContact CZ-CD1 4.03Å; F506-M524 HydrophobicContact CB-CE 3.86Å; F506-M524 HydrophobicContact CB-SD 3.59Å; F506-M524 VanDerWaalsContact CB-SD 3.59Å; F506-M524 HydrophobicContact CD2-CB 4.28Å; F506-M524 HydrophobicContact CD2-CE 4.12Å; F506-M524 HydrophobicContact CD2-SD 3.65Å; F506-M524 HydrophobicContact CG-CE 4.22Å; F506-M524 HydrophobicContact CG-SD 4.03Å
507	L	93.7	Very high	90.9	Very high	60 Å²	60	66.9 Å²	66.9	31%	0.314	35%	0.346	S	S	.	.			trans	-99.4	-14.9	-174.8	-60.6	179.4	0	0	0	113.7	V482 I484 Q505 W509	V482-L507 WeakPolarHBondContact O-CB 3.41Å; V482-L507 PolarHBondContact O-N 3.33Å; I484-L507 HydrophobicContact CD1-CD1 4.28Å; I484-L507 HydrophobicContact CD1-CD2 3.89Å; I484-L507 HydrophobicContact CG1-CD1 3.86Å; I484-L507 HydrophobicContact CG1-CD2 4.01Å; I484-L507 HydrophobicContact CG1-CG 4.16Å; Q505-L507 HydrophobicContact CG-CD2 4.43Å; L507-W509 VanDerWaalsContact C-N 3.33Å; L507-W509 PolarHBondContact O-N 3.49Å
508	K	93.3	Very high	91.7	Very high	72 Å²	72	61.3 Å²	61.3	31%	0.313	32%	0.316	S	S	.	.			trans	-97.3	29.2	-170.5	-58.8	-64	-168.4	-145.5	0	113.7	P481 V482 F506 P515 E520	P481-K508 WeakPolarHBondContact O-CE 3.15Å; P481-K508 PolarHBondContact O-NZ 2.96Å; V482-K508 HydrophobicContact CG1-CG 4.25Å; F506-K508 HydrophobicContact CE1-CB 3.77Å; F506-K508 HydrophobicContact CE2-CB 4.21Å; F506-K508 HydrophobicContact CZ-CB 3.59Å; F506-K508 HydrophobicContact CZ-CG 4.44Å; K508-P515 WeakPolarHBondContact O-CB 3.41Å; K508-E520 WeakPolarHBondContact CB-OE2 3.35Å; K508-E520 VanDerWaalsContact CG-OE2 3.28Å; K508-E520 WeakPolarHBondContact CG-OE2 3.42Å
509	W	91.2	Very high	92.2	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.027	31%	0.306	C	S	.	.			trans	-123.3	74.5	-180	-150.6	-36.5	0	0	0	110.4	F506 L507 E513 L514 P515 L521 R552 I555	F506-W509 HydrophobicContact CD1-CB 3.78Å; F506-W509 AromaticContact CD1-CE3 3.85Å; F506-W509 HydrophobicContact CD1-CE3 3.85Å; F506-W509 HydrophobicContact CE1-CB 3.99Å; F506-W509 AromaticContact CE1-CE3 3.92Å; F506-W509 HydrophobicContact CE1-CE3 3.92Å; L507-W509 VanDerWaalsContact C-N 3.33Å; L507-W509 PolarHBondContact O-N 3.49Å; W509-E513 PolarHBondContact NE1-O 2.88Å; W509-L514 HydrophobicContact CZ2-CD2 3.91Å; W509-P515 HydrophobicContact CB-CG 4.44Å; W509-P515 HydrophobicContact CD2-CG 3.66Å; W509-P515 HydrophobicContact CE3-CG 3.78Å; W509-P515 HydrophobicContact CG-CG 4.02Å; W509-P515 HydrophobicContact CH2-CG 4.4Å; W509-P515 HydrophobicContact CZ2-CG 4.31Å; W509-P515 HydrophobicContact CZ3-CG 4.17Å; W509-L521 HydrophobicContact CE3-CD1 4.38Å; W509-L521 HydrophobicContact CE3-CD2 4.46Å; W509-L521 HydrophobicContact CH2-CD2 4.07Å; W509-L521 HydrophobicContact CZ3-CD1 4.03Å; W509-L521 HydrophobicContact CZ3-CD2 3.51Å; W509-L521 HydrophobicContact CZ3-CG 4.42Å; W509-R552 HydrophobicContact CD2-CB 4.35Å; W509-R552 HydrophobicContact CD2-CG 4.03Å; W509-R552 HydrophobicContact CE3-CB 4.37Å; W509-R552 HydrophobicContact CG-CG 4.5Å; W509-R552 HydrophobicContact CH2-CB 4.06Å; W509-R552 HydrophobicContact CH2-CG 4.42Å; W509-R552 HydrophobicContact CZ2-CB 4.02Å; W509-R552 HydrophobicContact CZ2-CG 3.88Å; W509-R552 HydrophobicContact CZ3-CB 4.21Å; W509-R552 PolarHBondContact O-NH1 3.35Å; W509-R552 PolarHBondContact O-NH2 3.34Å; W509-R552 VanDerWaalsContact O-NH2 3.14Å; W509-I555 HydrophobicContact CH2-CB 3.91Å; W509-I555 HydrophobicContact CH2-CD1 3.58Å; W509-I555 HydrophobicContact CH2-CG1 4.37Å; W509-I555 HydrophobicContact CH2-CG2 3.91Å; W509-I555 HydrophobicContact CZ2-CD1 3.58Å
510	E	82.8	Confident	92.5	Very high	141 Å²	141	59.8 Å²	59.8	66%	0.659	31%	0.305	S	S	*	.			trans	-83.3	134.5	-173.7	-63.5	-179	-167.1	0	0	111.7	E450	E450-E510 WeakPolarHBondContact OE1-CA 3.45Å
511	G	83.8	Confident	92.8	Very high	43 Å²	43	53.4 Å²	53.4	44%	0.443	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	-132.8	175.9	0	0	0	0	0	114.5	E450 R552	E450-G511 PolarHBondContact OE1-N 3.16Å; G511-R552 PolarHBondContact O-NH2 3.4Å
512	T	81.9	Confident	92.9	Very high	145 Å²	145	53.4 Å²	53.4	89%	0.89	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-1.7	176.8	52.5	0	0	0	0	112.8
513	E	88.1	Confident	92.9	Very high	145 Å²	145	52.3 Å²	52.3	68%	0.678	27%	0.273	S	S	*	.	S	Bend	trans	-81.4	161.7	-175.5	-63	-175.1	179.6	0	0	111.2	W509	W509-E513 PolarHBondContact NE1-O 2.88Å
514	L	93.9	Very high	92.9	Very high	50 Å²	50	52.3 Å²	52.3	26%	0.262	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-78.3	150.4	174.5	-68.5	169.6	0	0	0	110.1	W509 D516 I555 E593 Q594 F597	W509-L514 HydrophobicContact CZ2-CD2 3.91Å; L514-D516 PolarHBondContact O-N 2.88Å; L514-I555 HydrophobicContact CD2-CD1 3.45Å; L514-I555 VanDerWaalsContact CD2-CD1 3.45Å; L514-E593 VanDerWaalsContact CD1-C 3.48Å; L514-E593 HydrophobicContact CD1-CB 3.67Å; L514-E593 VanDerWaalsContact CD1-O 3.32Å; L514-E593 WeakPolarHBondContact CD1-O 3.05Å; L514-Q594 HydrophobicContact CD2-CG 4.22Å; L514-F597 HydrophobicContact CB-CD2 4.05Å; L514-F597 HydrophobicContact CB-CE2 4.39Å; L514-F597 HydrophobicContact CD1-CB 4.11Å; L514-F597 HydrophobicContact CD1-CD2 4.36Å; L514-F597 HydrophobicContact CD2-CD2 4.43Å
515	P	94.1	Very high	92.8	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.039	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-57.1	133.6	175.7	-25	34.4	0	0	0	112.2	F506 K508 W509 K517 F597	F506-P515 HydrophobicContact CE1-CB 4.42Å; F506-P515 HydrophobicContact CE1-CG 3.91Å; F506-P515 HydrophobicContact CZ-CG 4.5Å; K508-P515 WeakPolarHBondContact O-CB 3.41Å; W509-P515 HydrophobicContact CB-CG 4.44Å; W509-P515 HydrophobicContact CD2-CG 3.66Å; W509-P515 HydrophobicContact CE3-CG 3.78Å; W509-P515 HydrophobicContact CG-CG 4.02Å; W509-P515 HydrophobicContact CH2-CG 4.4Å; W509-P515 HydrophobicContact CZ2-CG 4.31Å; W509-P515 HydrophobicContact CZ3-CG 4.17Å; P515-K517 PolarHBondContact O-N 2.9Å; P515-F597 HydrophobicContact CB-CE2 4.08Å; P515-F597 HydrophobicContact CB-CZ 4.22Å; P515-F597 HydrophobicContact CG-CE2 4.19Å; P515-F597 HydrophobicContact CG-CZ 4.09Å; P515-F597 WeakPolarHBondContact O-CE2 3.27Å
516	D	91.3	Very high	92.6	Very high	142 Å²	142	53 Å²	53	76%	0.759	28%	0.276	S	S	*	.	S	Bend	trans	-57.4	-39.1	179.4	-73.3	-37.1	0	0	0	112.6	L514 P518 K600	L514-D516 PolarHBondContact O-N 2.88Å; D516-P518 WeakPolarHBondContact O-CD 3.34Å; D516-K600 PolarHBondContact O-NZ 2.95Å
517	K	94.3	Very high	92.5	Very high	127 Å²	127	55.4 Å²	55.4	55%	0.552	29%	0.287	S	S	*	.			trans	-114.5	95	-177.2	-64.9	179.9	-171.4	168.1	0	110.4	P515 Q519 E520	P515-K517 PolarHBondContact O-N 2.9Å; K517-Q519 PolarHBondContact O-N 3.06Å; K517-E520 HydrophobicContact CB-CG 4.06Å; K517-E520 WeakPolarHBondContact CD-OE1 3.45Å; K517-E520 WeakPolarHBondContact O-CB 3.42Å; K517-E520 PolarHBondContact O-N 3.11Å; K517-E520 VanDerWaalsContact O-N 3.09Å
518	P	95.6	Very high	92.5	Very high	7 Å²	7	52.5 Å²	52.5	5%	0.045	27%	0.272	C	S	.	.	H	α-helix	trans	-56.4	-27.7	177.7	-23.7	30.9	0	0	0	114.1	D516 E520 L521 V522 F597 K600 A601	D516-P518 WeakPolarHBondContact O-CD 3.34Å; P518-E520 PolarHBondContact O-N 2.97Å; P518-L521 WeakPolarHBondContact O-CB 3.26Å; P518-L521 PolarHBondContact O-N 3.19Å; P518-L521 VanDerWaalsContact O-N 3.1Å; P518-V522 PolarHBondContact O-N 3.27Å; P518-V522 VanDerWaalsContact O-N 3.12Å; P518-F597 HydrophobicContact CB-CD2 4.32Å; P518-F597 HydrophobicContact CB-CE1 4.04Å; P518-F597 HydrophobicContact CB-CE2 3.75Å; P518-F597 HydrophobicContact CB-CZ 3.6Å; P518-F597 HydrophobicContact CG-CD2 3.86Å; P518-F597 HydrophobicContact CG-CE2 3.54Å; P518-F597 HydrophobicContact CG-CZ 3.96Å; P518-K600 HydrophobicContact CG-CB 4.14Å; P518-K600 HydrophobicContact CG-CD 3.64Å; P518-K600 HydrophobicContact CG-CG 3.81Å; P518-A601 HydrophobicContact CB-CB 3.72Å
519	Q	95.6	Very high	92.3	Very high	47 Å²	47	50.1 Å²	50.1	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-32.2	179.2	-171.1	55.2	46	0	0	113	K517 L521 V522 D523 G604	K517-Q519 PolarHBondContact O-N 3.06Å; Q519-L521 VanDerWaalsContact C-N 3.3Å; Q519-L521 PolarHBondContact O-N 2.83Å; Q519-V522 WeakPolarHBondContact O-CB 3.31Å; Q519-V522 PolarHBondContact O-N 3.09Å; Q519-D523 PolarHBondContact NE2-OD1 2.8Å; Q519-D523 WeakPolarHBondContact O-CB 3.48Å; Q519-D523 PolarHBondContact O-N 3.41Å; Q519-G604 VanDerWaalsContact OE1-C 3.26Å; Q519-G604 PolarHBondContact OE1-O 2.63Å
520	E	96.1	Very high	92.1	Very high	39 Å²	39	56 Å²	56	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-37.3	178.4	-71	176.9	169.3	0	0	111.4	V482 F506 K508 K517 P518 M524	V482-E520 HydrophobicContact CG1-CB 3.69Å; V482-E520 HydrophobicContact CG1-CG 4.34Å; V482-E520 WeakPolarHBondContact CG1-O 3.41Å; V482-E520 HydrophobicContact CG2-CB 4.34Å; V482-E520 HydrophobicContact CG2-CG 4.08Å; F506-E520 HydrophobicContact CE2-CB 4.26Å; F506-E520 HydrophobicContact CZ-CB 4.24Å; K508-E520 WeakPolarHBondContact CB-OE2 3.35Å; K508-E520 VanDerWaalsContact CG-OE2 3.28Å; K508-E520 WeakPolarHBondContact CG-OE2 3.42Å; K517-E520 HydrophobicContact CB-CG 4.06Å; K517-E520 WeakPolarHBondContact CD-OE1 3.45Å; K517-E520 WeakPolarHBondContact O-CB 3.42Å; K517-E520 PolarHBondContact O-N 3.11Å; K517-E520 VanDerWaalsContact O-N 3.09Å; P518-E520 PolarHBondContact O-N 2.97Å; E520-M524 PolarHBondContact O-N 2.8Å
521	L	96.9	Very high	92.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.9	-38.9	174.4	-172.3	66.8	0	0	0	111.6	L448 F506 W509 P518 Q519 D523 M524 A525 I555 F556 L559 F597	L448-L521 HydrophobicContact CD2-CD1 4.15Å; F506-L521 HydrophobicContact CD1-CD1 4.06Å; F506-L521 HydrophobicContact CD2-CD1 4.1Å; F506-L521 HydrophobicContact CE1-CD1 4.05Å; F506-L521 HydrophobicContact CE2-CB 4.19Å; F506-L521 HydrophobicContact CE2-CD1 4.07Å; F506-L521 HydrophobicContact CG-CD1 4.08Å; F506-L521 HydrophobicContact CZ-CB 3.9Å; F506-L521 HydrophobicContact CZ-CD1 4.03Å; W509-L521 HydrophobicContact CE3-CD1 4.38Å; W509-L521 HydrophobicContact CE3-CD2 4.46Å; W509-L521 HydrophobicContact CH2-CD2 4.07Å; W509-L521 HydrophobicContact CZ3-CD1 4.03Å; W509-L521 HydrophobicContact CZ3-CD2 3.51Å; W509-L521 HydrophobicContact CZ3-CG 4.42Å; P518-L521 WeakPolarHBondContact O-CB 3.26Å; P518-L521 PolarHBondContact O-N 3.19Å; P518-L521 VanDerWaalsContact O-N 3.1Å; Q519-L521 VanDerWaalsContact C-N 3.3Å; Q519-L521 PolarHBondContact O-N 2.83Å; L521-D523 VanDerWaalsContact C-N 3.32Å; L521-D523 PolarHBondContact O-N 2.83Å; L521-M524 HydrophobicContact CD1-CE 3.91Å; L521-M524 PolarHBondContact O-N 3.29Å; L521-A525 PolarHBondContact O-N 2.72Å; L521-I555 HydrophobicContact CD2-CG2 3.93Å; L521-F556 HydrophobicContact CD1-CD2 4.13Å; L521-L559 HydrophobicContact CD2-CD1 3.67Å; L521-L559 HydrophobicContact CG-CD1 4.12Å; L521-F597 HydrophobicContact CD2-CE1 3.88Å; L521-F597 HydrophobicContact CD2-CZ 4.17Å
522	V	96.9	Very high	91.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-43.4	173.7	171.9	0	0	0	0	110.9	P518 Q519 A525 K526 L559 L563 A601 A605	P518-V522 PolarHBondContact O-N 3.27Å; P518-V522 VanDerWaalsContact O-N 3.12Å; Q519-V522 WeakPolarHBondContact O-CB 3.31Å; Q519-V522 PolarHBondContact O-N 3.09Å; V522-A525 PolarHBondContact O-N 3.43Å; V522-K526 HydrophobicContact CG1-CD 4.21Å; V522-K526 WeakPolarHBondContact O-CG 3.43Å; V522-K526 PolarHBondContact O-N 3.48Å; V522-L559 HydrophobicContact CG2-CD1 4.39Å; V522-L563 HydrophobicContact CG1-CD1 4.32Å; V522-L563 HydrophobicContact CG1-CD2 4.28Å; V522-A601 HydrophobicContact CG2-CB 3.89Å; V522-A605 HydrophobicContact CG1-CB 3.94Å
523	D	94.9	Very high	90.7	Very high	57 Å²	57	45.8 Å²	45.8	31%	0.305	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-41.7	179.5	-69.6	-20	0	0	0	111.3	Q519 L521 K526 E527	Q519-D523 PolarHBondContact NE2-OD1 2.8Å; Q519-D523 WeakPolarHBondContact O-CB 3.48Å; Q519-D523 PolarHBondContact O-N 3.41Å; L521-D523 VanDerWaalsContact C-N 3.32Å; L521-D523 PolarHBondContact O-N 2.83Å; D523-K526 PolarHBondContact O-N 3.03Å; D523-E527 PolarHBondContact O-N 2.86Å
524	M	96.3	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-45.6	172.5	-171.3	-173.5	73.7	0	0	111.5	V446 L448 F483 F506 E520 L521 K526 E527 V528 F556	V446-M524 HydrophobicContact CG1-CE 3.74Å; L448-M524 HydrophobicContact CD2-CE 3.81Å; F483-M524 HydrophobicContact CB-CG 4.07Å; F483-M524 HydrophobicContact CB-SD 3.77Å; F483-M524 HydrophobicContact CD1-CB 3.72Å; F483-M524 HydrophobicContact CD1-CG 3.76Å; F483-M524 HydrophobicContact CD2-CG 4.33Å; F483-M524 HydrophobicContact CE1-CB 4.1Å; F483-M524 HydrophobicContact CE1-CG 4.28Å; F483-M524 HydrophobicContact CG-CB 4.28Å; F483-M524 HydrophobicContact CG-CG 3.8Å; F483-M524 HydrophobicContact CG-SD 4.19Å; F506-M524 HydrophobicContact CB-CE 3.86Å; F506-M524 HydrophobicContact CB-SD 3.59Å; F506-M524 VanDerWaalsContact CB-SD 3.59Å; F506-M524 HydrophobicContact CD2-CB 4.28Å; F506-M524 HydrophobicContact CD2-CE 4.12Å; F506-M524 HydrophobicContact CD2-SD 3.65Å; F506-M524 HydrophobicContact CG-CE 4.22Å; F506-M524 HydrophobicContact CG-SD 4.03Å; E520-M524 PolarHBondContact O-N 2.8Å; L521-M524 HydrophobicContact CD1-CE 3.91Å; L521-M524 PolarHBondContact O-N 3.29Å; M524-K526 VanDerWaalsContact C-N 3.32Å; M524-K526 PolarHBondContact O-N 2.93Å; M524-E527 PolarHBondContact O-N 3.35Å; M524-E527 VanDerWaalsContact O-N 3.11Å; M524-V528 HydrophobicContact CG-CG2 4.41Å; M524-V528 VanDerWaalsContact O-CG2 3.3Å; M524-V528 WeakPolarHBondContact O-CG2 3.26Å; M524-V528 PolarHBondContact O-N 3.01Å; M524-F556 HydrophobicContact CE-CD2 3.97Å; M524-F556 HydrophobicContact CE-CE2 3.63Å
525	A	95.5	Very high	86.7	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-41.6	178.6	0	0	0	0	0	112.1	L521 V522 V528 K529 F556 L563	L521-A525 PolarHBondContact O-N 2.72Å; V522-A525 PolarHBondContact O-N 3.43Å; A525-V528 PolarHBondContact O-N 3.34Å; A525-K529 WeakPolarHBondContact O-CG 3.44Å; A525-K529 PolarHBondContact O-N 3.4Å; A525-F556 HydrophobicContact CB-CE2 3.85Å; A525-F556 HydrophobicContact CB-CZ 4.24Å; A525-L563 HydrophobicContact CB-CD1 4.09Å
526	K	93	Very high	84.3	Confident	22 Å²	22	53.4 Å²	53.4	10%	0.096	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-41.8	173.2	-74.6	177.6	175.3	177.1	0	111.8	V522 D523 M524 K529 R530 V616	V522-K526 HydrophobicContact CG1-CD 4.21Å; V522-K526 WeakPolarHBondContact O-CG 3.43Å; V522-K526 PolarHBondContact O-N 3.48Å; D523-K526 PolarHBondContact O-N 3.03Å; M524-K526 VanDerWaalsContact C-N 3.32Å; M524-K526 PolarHBondContact O-N 2.93Å; K526-K529 PolarHBondContact O-N 3.36Å; K526-R530 WeakPolarHBondContact O-CG 3.45Å; K526-R530 PolarHBondContact O-N 2.83Å; K526-V616 PolarHBondContact NZ-O 3.49Å; K526-V616 VanDerWaalsContact NZ-O 3.08Å
527	E	93	Very high	82.4	Confident	52 Å²	52	47 Å²	47	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-43.6	176.3	179.9	55.1	-154.3	0	0	112.4	F483 F504 D523 M524 K529 R530 S531	F483-E527 HydrophobicContact CE2-CG 4.12Å; F483-E527 HydrophobicContact CZ-CB 3.99Å; F483-E527 HydrophobicContact CZ-CG 3.86Å; F504-E527 HydrophobicContact CE1-CG 4.02Å; D523-E527 PolarHBondContact O-N 2.86Å; M524-E527 PolarHBondContact O-N 3.35Å; M524-E527 VanDerWaalsContact O-N 3.11Å; E527-K529 VanDerWaalsContact C-N 3.33Å; E527-K529 PolarHBondContact O-N 3.09Å; E527-R530 PolarHBondContact O-N 3.3Å; E527-R530 IonicContact OE2-CZ 2.8Å; E527-R530 IonicContact OE2-NE 2.6Å; E527-R530 PolarHBondContact OE2-NE 3.07Å; E527-R530 IonicContact OE2-NH2 3.07Å; E527-R530 PolarHBondContact OE2-NH2 3.22Å; E527-S531 WeakPolarHBondContact O-CB 3.34Å; E527-S531 PolarHBondContact O-N 2.91Å
528	V	93.3	Very high	80.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-56.4	-48.8	174.3	175.4	0	0	0	0	110	T444 V446 F504 M524 A525 R530 S531 C532 W560	T444-V528 HydrophobicContact CG2-CG1 3.85Å; V446-V528 HydrophobicContact CG2-CG1 4.1Å; V446-V528 HydrophobicContact CG2-CG2 4.05Å; F504-V528 HydrophobicContact CB-CG2 4.16Å; F504-V528 HydrophobicContact CD1-CG2 3.89Å; F504-V528 HydrophobicContact CD2-CG2 3.83Å; F504-V528 HydrophobicContact CE1-CG2 4.21Å; F504-V528 HydrophobicContact CE2-CG2 4.16Å; F504-V528 HydrophobicContact CG-CG2 3.69Å; F504-V528 HydrophobicContact CZ-CG2 4.33Å; M524-V528 HydrophobicContact CG-CG2 4.41Å; M524-V528 VanDerWaalsContact O-CG2 3.3Å; M524-V528 WeakPolarHBondContact O-CG2 3.26Å; M524-V528 PolarHBondContact O-N 3.01Å; A525-V528 PolarHBondContact O-N 3.34Å; V528-R530 PolarHBondContact O-N 3.2Å; V528-S531 WeakPolarHBondContact O-CB 3.41Å; V528-S531 PolarHBondContact O-N 3.44Å; V528-C532 PolarHBondContact O-N 2.73Å; V528-C532 VanDerWaalsContact O-N 3.09Å; V528-C532 PolarHBondContact O-SG 2.95Å; V528-W560 HydrophobicContact CB-CZ3 3.99Å; V528-W560 HydrophobicContact CG1-CH2 3.91Å; V528-W560 HydrophobicContact CG1-CZ3 3.6Å
529	K	89.1	Confident	78.6	Confident	21 Å²	21	58.1 Å²	58.1	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-49.5	176	-72.1	176.8	-171.7	-89.2	0	112.1	A525 K526 E527 S531 C532 V533 W560 D564	A525-K529 WeakPolarHBondContact O-CG 3.44Å; A525-K529 PolarHBondContact O-N 3.4Å; K526-K529 PolarHBondContact O-N 3.36Å; E527-K529 VanDerWaalsContact C-N 3.33Å; E527-K529 PolarHBondContact O-N 3.09Å; K529-S531 PolarHBondContact O-N 3.09Å; K529-C532 WeakPolarHBondContact O-CB 3.39Å; K529-C532 PolarHBondContact O-N 2.83Å; K529-V533 VanDerWaalsContact O-CG2 3.3Å; K529-V533 WeakPolarHBondContact O-CG2 3.32Å; K529-V533 PolarHBondContact O-N 3.09Å; K529-V533 VanDerWaalsContact O-N 3.12Å; K529-W560 HydrophobicContact CB-CH2 4.21Å; K529-W560 HydrophobicContact CB-CZ3 4.46Å; K529-W560 HydrophobicContact CD-CH2 4.4Å; K529-W560 HydrophobicContact CD-CZ3 4.33Å; K529-W560 HydrophobicContact CG-CE3 4.03Å; K529-W560 HydrophobicContact CG-CH2 3.27Å; K529-W560 HydrophobicContact CG-CZ2 3.8Å; K529-W560 HydrophobicContact CG-CZ3 3.39Å; K529-W560 PolarHBondContact NZ-O 2.86Å; K529-D564 IonicContact NZ-OD1 2.7Å; K529-D564 PolarHBondContact NZ-OD1 3.42Å; K529-D564 IonicContact NZ-OD2 3.99Å; K529-D564 PolarHBondContact NZ-OD2 3.49Å
530	R	87.4	Confident	77.5	Confident	132 Å²	132	59.4 Å²	59.4	50%	0.498	30%	0.297	S	S	.	.	H	α-helix	trans	-56.2	-40.5	177.5	-73.1	-167.3	-64	-154.1	-6.3	112.2	K526 E527 V528 C532 V533 S618	K526-R530 WeakPolarHBondContact O-CG 3.45Å; K526-R530 PolarHBondContact O-N 2.83Å; E527-R530 PolarHBondContact O-N 3.3Å; E527-R530 IonicContact OE2-CZ 2.8Å; E527-R530 IonicContact OE2-NE 2.6Å; E527-R530 PolarHBondContact OE2-NE 3.07Å; E527-R530 IonicContact OE2-NH2 3.07Å; E527-R530 PolarHBondContact OE2-NH2 3.22Å; V528-R530 PolarHBondContact O-N 3.2Å; R530-C532 VanDerWaalsContact C-N 3.3Å; R530-C532 PolarHBondContact O-N 3.44Å; R530-V533 PolarHBondContact O-N 2.85Å; R530-S618 PolarHBondContact NH1-OG 3.25Å
531	S	83.9	Confident	76.9	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-28.7	178.3	176.9	0	0	0	0	113.2	K502 E527 V528 K529	K502-S531 WeakPolarHBondContact CD-OG 3.33Å; K502-S531 WeakPolarHBondContact CE-OG 3.44Å; K502-S531 PolarHBondContact NZ-OG 3.3Å; E527-S531 WeakPolarHBondContact O-CB 3.34Å; E527-S531 PolarHBondContact O-N 2.91Å; V528-S531 WeakPolarHBondContact O-CB 3.41Å; V528-S531 PolarHBondContact O-N 3.44Å; K529-S531 PolarHBondContact O-N 3.09Å
532	C	76.8	Confident	76.7	Confident	15 Å²	15	58.8 Å²	58.8	10%	0.101	30%	0.296	C	S	.	.	H	α-helix	trans	-75.8	-34.3	174.6	-61.1	0	0	0	0	112.5	V528 K529 R530 G534 S535	V528-C532 PolarHBondContact O-N 2.73Å; V528-C532 VanDerWaalsContact O-N 3.09Å; V528-C532 PolarHBondContact O-SG 2.95Å; K529-C532 WeakPolarHBondContact O-CB 3.39Å; K529-C532 PolarHBondContact O-N 2.83Å; R530-C532 VanDerWaalsContact C-N 3.3Å; R530-C532 PolarHBondContact O-N 3.44Å; C532-G534 PolarHBondContact O-N 3.02Å; C532-S535 PolarHBondContact O-OG 2.91Å
533	V	59.6	Low	76.7	Confident	82 Å²	82	58.7 Å²	58.7	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-30.5	-174.6	170.2	0	0	0	0	113.3	K529 R530 S535 H538	K529-V533 VanDerWaalsContact O-CG2 3.3Å; K529-V533 WeakPolarHBondContact O-CG2 3.32Å; K529-V533 PolarHBondContact O-N 3.09Å; K529-V533 VanDerWaalsContact O-N 3.12Å; R530-V533 PolarHBondContact O-N 2.85Å; V533-S535 VanDerWaalsContact C-N 3.26Å; V533-S535 PolarHBondContact O-N 2.86Å; V533-H538 WeakPolarHBondContact CA-CE1 3.29Å; V533-H538 PolarHBondContact O-CE1 2.9Å; V533-H538 PolarHBondContact O-ND1 3.01Å
534	G	49.6	Very low	76.9	Confident	79 Å²	79	56 Å²	56	81%	0.814	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.3	-177.4	0	0	0	0	0	116.2	C532	C532-G534 PolarHBondContact O-N 3.02Å
535	S	47.8	Very low	77	Confident	58 Å²	58	56 Å²	56	41%	0.406	28%	0.282	S	S	.	.	S	Bend	trans	-125.8	165.4	-179.2	63.3	0	0	0	0	110.1	C532 V533 S537	C532-S535 PolarHBondContact O-OG 2.91Å; V533-S535 VanDerWaalsContact C-N 3.26Å; V533-S535 PolarHBondContact O-N 2.86Å; S535-S537 PolarHBondContact O-N 2.9Å; S535-S537 WeakPolarHBondContact OG-CB 3.42Å
536	K	43.9	Very low	77	Confident	224 Å²	224	56 Å²	56	97%	0.974	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	13.9	170.5	-64.1	-177.2	177.7	-176.5	0	113.6
537	S	50.8	Low	77.1	Confident	9 Å²	9	59 Å²	59	6%	0.063	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.3	-171.2	-169.3	0	0	0	0	114.7	S443 S535 R539 M540	S443-S537 PolarHBondContact OG-OG 2.77Å; S535-S537 PolarHBondContact O-N 2.9Å; S535-S537 WeakPolarHBondContact OG-CB 3.42Å; S537-R539 PolarHBondContact O-N 3.33Å; S537-M540 PolarHBondContact O-N 3.24Å; S537-M540 WeakPolarHBondContact OG-CB 3.49Å
538	H	49.1	Very low	77.2	Confident	128 Å²	128	57.7 Å²	57.7	59%	0.593	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.7	179.6	-84.6	88.6	0	0	0	114.3	V533	V533-H538 WeakPolarHBondContact CA-CE1 3.29Å; V533-H538 PolarHBondContact O-CE1 2.9Å; V533-H538 PolarHBondContact O-ND1 3.01Å
539	R	60.2	Low	77.3	Confident	238 Å²	238	57.7 Å²	57.7	90%	0.898	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	0.6	177.1	-63.7	-170.8	-172	-177.9	1.9	114.4	S537	S537-R539 PolarHBondContact O-N 3.33Å
540	M	72.8	Confident	77.7	Confident	74 Å²	74	56.7 Å²	56.7	37%	0.365	29%	0.289	S	S	.	.	S	Bend	trans	-84.2	136.7	-178	-63.2	-63.5	-127.6	0	0	110.3	K441 S537	K441-M540 HydrophobicContact CB-CE 3.44Å; K441-M540 VanDerWaalsContact CB-CE 3.44Å; K441-M540 HydrophobicContact CB-SD 4.37Å; K441-M540 HydrophobicContact CD-CE 4.05Å; K441-M540 HydrophobicContact CG-CE 4.36Å; S537-M540 PolarHBondContact O-N 3.24Å; S537-M540 WeakPolarHBondContact OG-CB 3.49Å
541	P	84.2	Confident	78	Confident	22 Å²	22	52.6 Å²	52.6	14%	0.143	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.4	145.2	179.6	16.4	-20.7	0	0	0	111.8	S418 I420 L442	S418-P541 WeakPolarHBondContact O-CA 3.5Å; I420-P541 HydrophobicContact CG1-CB 4.35Å; L442-P541 HydrophobicContact CD2-CB 3.94Å; L442-P541 HydrophobicContact CD2-CG 3.63Å; L442-P541 VanDerWaalsContact CD2-O 3.26Å; L442-P541 WeakPolarHBondContact CD2-O 3.38Å
542	I	92.9	Very high	78.6	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.1	170	63.5	160.6	0	0	0	110.2	S418 L419 I420 T444 V544 F556 W560	S418-I542 PolarHBondContact O-N 2.95Å; L419-I542 HydrophobicContact CD2-CD1 3.58Å; L419-I542 HydrophobicContact CD2-CG1 3.23Å; I420-I542 PolarHBondContact N-O 3.42Å; T444-I542 HydrophobicContact CG2-CG2 4.24Å; I542-V544 HydrophobicContact CD1-CG2 4.07Å; I542-V544 HydrophobicContact CG1-CG2 4.4Å; I542-F556 HydrophobicContact CD1-CE1 4.02Å; I542-W560 HydrophobicContact CD1-CD2 3.89Å; I542-W560 HydrophobicContact CD1-CE3 3.8Å; I542-W560 HydrophobicContact CD1-CH2 3.7Å; I542-W560 HydrophobicContact CD1-CZ2 3.82Å; I542-W560 HydrophobicContact CD1-CZ3 3.7Å; I542-W560 HydrophobicContact CG1-CZ2 4.49Å
543	L	97.6	Very high	79.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.3	174.6	-179.4	57.7	0	0	0	110.1	I420 A422 F433 M436 V437 L442 T444 I445 V446	I420-L543 HydrophobicContact CB-CD1 3.92Å; I420-L543 HydrophobicContact CG2-CD1 3.54Å; I420-L543 CarbonylContact O-C 3.55Å; I420-L543 WeakPolarHBondContact O-CA 2.98Å; A422-L543 HydrophobicContact CB-CD1 3.86Å; F433-L543 HydrophobicContact CD2-CD2 4.46Å; F433-L543 HydrophobicContact CE1-CD2 4.35Å; F433-L543 HydrophobicContact CE2-CD2 3.54Å; F433-L543 HydrophobicContact CZ-CD2 3.46Å; F433-L543 VanDerWaalsContact CZ-CD2 3.46Å; M436-L543 HydrophobicContact CE-CD1 3.67Å; M436-L543 HydrophobicContact CE-CD2 3.71Å; M436-L543 HydrophobicContact CE-CG 4.38Å; V437-L543 HydrophobicContact CG2-CD2 3.86Å; L442-L543 HydrophobicContact CD1-CB 3.89Å; L442-L543 HydrophobicContact CD1-CD2 4.13Å; L442-L543 HydrophobicContact CD1-CG 4.45Å; T444-L543 PolarHBondContact O-N 3.08Å; I445-L543 CarbonylContact C-O 3.55Å; I445-L543 WeakPolarHBondContact CA-O 3.48Å; I445-L543 HydrophobicContact CD1-CD2 4.44Å; I445-L543 HydrophobicContact CG1-CB 4.31Å; I445-L543 HydrophobicContact CG1-CD2 4.15Å; I445-L543 HydrophobicContact CG2-CD2 4.24Å; I445-L543 HydrophobicContact CG2-CG 4.4Å; V446-L543 PolarHBondContact N-O 2.83Å
544	V	98.3	Very high	81.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118	175.4	-173.2	0	0	0	0	108.7	I420 T421 A422 V446 L448 I542 S553 F556	I420-V544 PolarHBondContact O-N 2.75Å; T421-V544 VanDerWaalsContact CA-O 3.27Å; T421-V544 WeakPolarHBondContact CA-O 3.13Å; A422-V544 PolarHBondContact N-O 2.77Å; A422-V544 VanDerWaalsContact N-O 3.11Å; V446-V544 HydrophobicContact CB-CG1 4.36Å; V446-V544 HydrophobicContact CB-CG2 4.28Å; V446-V544 HydrophobicContact CG1-CG1 4.44Å; V446-V544 CarbonylContact O-C 3.44Å; V446-V544 WeakPolarHBondContact O-CA 3.3Å; L448-V544 HydrophobicContact CD1-CG1 3.72Å; L448-V544 HydrophobicContact CG-CG1 4.37Å; I542-V544 HydrophobicContact CD1-CG2 4.07Å; I542-V544 HydrophobicContact CG1-CG2 4.4Å; V544-S553 PolarHBondContact O-OG 3.28Å; V544-F556 HydrophobicContact CB-CD1 4.36Å; V544-F556 HydrophobicContact CG1-CB 4.18Å; V544-F556 HydrophobicContact CG1-CD1 3.74Å; V544-F556 HydrophobicContact CG1-CE1 4.49Å; V544-F556 HydrophobicContact CG1-CG 4.14Å; V544-F556 HydrophobicContact CG2-CD1 3.64Å; V544-F556 HydrophobicContact CG2-CE1 3.75Å
545	H	98.1	Very high	83.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150	176.8	75.7	94.3	0	0	0	113	A422 D424 V446 M447 L448 Y459	A422-H545 HydrophobicContact CB-CB 4.3Å; A422-H545 WeakPolarHBondContact O-CA 3.12Å; A422-H545 WeakPolarHBondContact O-CB 3.47Å; D424-H545 IonicContact OD1-CE1 2.73Å; D424-H545 PolarHBondContact OD1-CE1 3.32Å; D424-H545 IonicContact OD1-CG 3.04Å; D424-H545 IonicContact OD1-ND1 3.42Å; D424-H545 PolarHBondContact OD1-ND1 3.45Å; V446-H545 PolarHBondContact O-CD2 3.42Å; V446-H545 PolarHBondContact O-N 2.94Å; M447-H545 WeakPolarHBondContact CB-NE2 3.49Å; M447-H545 VanDerWaalsContact CG-CE1 3.45Å; M447-H545 WeakPolarHBondContact CG-CE1 3.4Å; L448-H545 PolarHBondContact N-O 2.69Å; Y459-H545 AromaticContact CE1-CE1 3.89Å; Y459-H545 AromaticContact CZ-CE1 3.99Å; Y459-H545 AromaticContact CZ-NE2 3.76Å; Y459-H545 PolarHBondContact OH-CE1 3.17Å; Y459-H545 PolarHBondContact OH-NE2 2.88Å
546	C	95.8	Very high	86.2	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-178.5	168.4	65.2	0	0	0	0	107.7	Q423 D424 L448 S449 D548 G549 R552 S553	Q423-C546 CarbonylContact C-O 3.54Å; Q423-C546 WeakPolarHBondContact CA-O 3.45Å; D424-C546 VanDerWaalsContact CG-C 3.4Å; D424-C546 PolarHBondContact N-O 3.17Å; D424-C546 WeakPolarHBondContact OD1-CA 3.34Å; L448-C546 HydrophobicContact CB-CB 4.07Å; S449-C546 VanDerWaalsContact OG-CA 3.3Å; S449-C546 WeakPolarHBondContact OG-CA 3.43Å; C546-D548 PolarHBondContact O-N 3.48Å; C546-D548 VanDerWaalsContact O-N 3.15Å; C546-G549 PolarHBondContact O-N 2.88Å; C546-G549 PolarHBondContact SG-N 3.4Å; C546-G549 VanDerWaalsContact SG-N 3.41Å; C546-R552 HydrophobicContact CB-CB 3.75Å; C546-R552 HydrophobicContact CB-CG 4.23Å; C546-S553 PolarHBondContact N-OG 2.75Å; C546-S553 PolarHBondContact SG-N 3.36Å; C546-S553 VanDerWaalsContact SG-N 3.37Å; C546-S553 PolarHBondContact SG-OG 3.37Å
547	N	94.6	Very high	88.8	Confident	86 Å²	86	31.3 Å²	31.3	46%	0.46	15%	0.145	S	C	.	.	S	Bend	trans	-36.2	-63.2	-177.8	-173.3	-6.7	0	0	0	113.3	R359 Q423 D424 S449	R359-N547 VanDerWaalsContact CD-O 3.24Å; R359-N547 WeakPolarHBondContact CD-O 3.27Å; R359-N547 WeakPolarHBondContact CD-OD1 3.27Å; Q423-N547 WeakPolarHBondContact CB-O 3.45Å; D424-N547 PolarHBondContact N-O 3.37Å; D424-N547 VanDerWaalsContact OD2-CA 3.26Å; D424-N547 WeakPolarHBondContact OD2-CA 3.38Å; D424-N547 PolarHBondContact OD2-N 2.61Å; S449-N547 PolarHBondContact OG-N 3.15Å
548	D	95.3	Very high	91	Very high	23 Å²	23	30.9 Å²	30.9	12%	0.123	14%	0.142	C	C	.	.	S	Bend	trans	-99	-4.7	178.6	62.1	4.9	0	0	0	114.6	V363 C546 S550 T551 R585	V363-D548 HydrophobicContact CB-CB 4.15Å; V363-D548 HydrophobicContact CG1-CB 4.31Å; V363-D548 VanDerWaalsContact CG1-O 3.25Å; V363-D548 WeakPolarHBondContact CG1-O 3.45Å; V363-D548 HydrophobicContact CG2-CB 4.06Å; C546-D548 PolarHBondContact O-N 3.48Å; C546-D548 VanDerWaalsContact O-N 3.15Å; D548-S550 VanDerWaalsContact C-N 3.28Å; D548-S550 PolarHBondContact O-N 2.96Å; D548-S550 PolarHBondContact OD1-N 3.13Å; D548-T551 PolarHBondContact OD1-N 3.14Å; D548-T551 PolarHBondContact OD1-OG1 3Å; D548-T551 WeakPolarHBondContact OD2-CG2 3.35Å; D548-R585 PolarHBondContact O-NH2 3.27Å
549	G	95.8	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	72.9	15.9	-176.4	0	0	0	0	0	114.9	A422 C546 S553 R585	A422-G549 VanDerWaalsContact C-CA 3.44Å; A422-G549 WeakPolarHBondContact O-CA 3.3Å; C546-G549 PolarHBondContact O-N 2.88Å; C546-G549 PolarHBondContact SG-N 3.4Å; C546-G549 VanDerWaalsContact SG-N 3.41Å; G549-S553 WeakPolarHBondContact O-CB 3.38Å; G549-R585 PolarHBondContact O-NE 3.34Å; G549-R585 VanDerWaalsContact O-NE 3.12Å
550	S	96.9	Very high	95.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-135	-44.1	179.9	-65.8	0	0	0	0	113.8	V363 D548 G554 R585 K586 G587 M588	V363-S550 WeakPolarHBondContact CG1-OG 3.33Å; D548-S550 VanDerWaalsContact C-N 3.28Å; D548-S550 PolarHBondContact O-N 2.96Å; D548-S550 PolarHBondContact OD1-N 3.13Å; S550-G554 WeakPolarHBondContact O-CA 3.31Å; S550-G554 PolarHBondContact O-N 2.93Å; S550-R585 PolarHBondContact OG-NE 2.63Å; S550-K586 VanDerWaalsContact CB-O 3.23Å; S550-K586 WeakPolarHBondContact CB-O 3.17Å; S550-K586 PolarHBondContact OG-O 2.93Å; S550-G587 WeakPolarHBondContact CB-O 3.35Å; S550-M588 VanDerWaalsContact O-SD 3.41Å
551	T	94.4	Very high	96.2	Very high	47 Å²	47	11.9 Å²	11.9	29%	0.288	6%	0.062	S	C	.	.	H	α-helix	trans	-60.1	-65	-174.1	45.3	0	0	0	0	113	D548	D548-T551 PolarHBondContact OD1-N 3.14Å; D548-T551 PolarHBondContact OD1-OG1 3Å; D548-T551 WeakPolarHBondContact OD2-CG2 3.35Å
552	R	97.2	Very high	96.8	Very high	27 Å²	27	10.8 Å²	10.8	10%	0.102	6%	0.055	C	C	.	.	H	α-helix	trans	-79.6	-37.7	177.5	-51.6	-179	-178.4	-168.2	-5.3	111.3	L448 W509 G511 C546 G554 I555 F556	L448-R552 HydrophobicContact CB-CB 3.89Å; L448-R552 HydrophobicContact CD1-CB 4.01Å; L448-R552 WeakPolarHBondContact CD1-O 3.4Å; L448-R552 WeakPolarHBondContact O-CD 3.1Å; L448-R552 PolarHBondContact O-NH1 3Å; W509-R552 HydrophobicContact CD2-CB 4.35Å; W509-R552 HydrophobicContact CD2-CG 4.03Å; W509-R552 HydrophobicContact CE3-CB 4.37Å; W509-R552 HydrophobicContact CG-CG 4.5Å; W509-R552 HydrophobicContact CH2-CB 4.06Å; W509-R552 HydrophobicContact CH2-CG 4.42Å; W509-R552 HydrophobicContact CZ2-CB 4.02Å; W509-R552 HydrophobicContact CZ2-CG 3.88Å; W509-R552 HydrophobicContact CZ3-CB 4.21Å; W509-R552 PolarHBondContact O-NH1 3.35Å; W509-R552 PolarHBondContact O-NH2 3.34Å; W509-R552 VanDerWaalsContact O-NH2 3.14Å; G511-R552 PolarHBondContact O-NH2 3.4Å; C546-R552 HydrophobicContact CB-CB 3.75Å; C546-R552 HydrophobicContact CB-CG 4.23Å; R552-G554 VanDerWaalsContact C-N 3.26Å; R552-G554 PolarHBondContact O-N 2.8Å; R552-I555 PolarHBondContact O-N 3.23Å; R552-F556 PolarHBondContact O-N 3.07Å; R552-F556 VanDerWaalsContact O-N 3.16Å
553	S	97.8	Very high	97	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57	-39.9	178	-64.1	0	0	0	0	111.9	V544 C546 G549 I555 F556 C557	V544-S553 PolarHBondContact O-OG 3.28Å; C546-S553 PolarHBondContact N-OG 2.75Å; C546-S553 PolarHBondContact SG-N 3.36Å; C546-S553 VanDerWaalsContact SG-N 3.37Å; C546-S553 PolarHBondContact SG-OG 3.37Å; G549-S553 WeakPolarHBondContact O-CB 3.38Å; S553-I555 PolarHBondContact O-N 2.93Å; S553-F556 PolarHBondContact O-N 2.91Å; S553-C557 WeakPolarHBondContact O-CB 3.26Å; S553-C557 PolarHBondContact O-N 2.84Å; S553-C557 PolarHBondContact O-SG 3.15Å
554	G	97.9	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.7	-43	178.3	0	0	0	0	0	113.3	S550 R552 C557 G558 M588	S550-G554 WeakPolarHBondContact O-CA 3.31Å; S550-G554 PolarHBondContact O-N 2.93Å; R552-G554 VanDerWaalsContact C-N 3.26Å; R552-G554 PolarHBondContact O-N 2.8Å; G554-C557 PolarHBondContact O-N 2.85Å; G554-G558 PolarHBondContact O-N 2.91Å; G554-M588 WeakPolarHBondContact CA-SD 3.46Å
555	I	98.4	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.8	-67	163.4	0	0	0	110.5	W509 L514 L521 R552 S553 G558 L559 Q594 F597 L598	W509-I555 HydrophobicContact CH2-CB 3.91Å; W509-I555 HydrophobicContact CH2-CD1 3.58Å; W509-I555 HydrophobicContact CH2-CG1 4.37Å; W509-I555 HydrophobicContact CH2-CG2 3.91Å; W509-I555 HydrophobicContact CZ2-CD1 3.58Å; L514-I555 HydrophobicContact CD2-CD1 3.45Å; L514-I555 VanDerWaalsContact CD2-CD1 3.45Å; L521-I555 HydrophobicContact CD2-CG2 3.93Å; R552-I555 PolarHBondContact O-N 3.23Å; S553-I555 PolarHBondContact O-N 2.93Å; I555-G558 PolarHBondContact O-N 3.29Å; I555-L559 HydrophobicContact CG2-CD1 4.27Å; I555-L559 WeakPolarHBondContact O-CG 3.49Å; I555-L559 PolarHBondContact O-N 3.5Å; I555-Q594 HydrophobicContact CD1-CB 4.09Å; I555-Q594 HydrophobicContact CD1-CG 3.97Å; I555-Q594 HydrophobicContact CG1-CB 4.23Å; I555-F597 HydrophobicContact CG2-CD1 3.58Å; I555-F597 HydrophobicContact CG2-CE1 3.59Å; I555-L598 HydrophobicContact CG2-CD2 4.08Å
556	F	98.3	Very high	96.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-45.8	178.8	-177	-86.1	0	0	0	111.8	V446 L448 L521 M524 A525 I542 V544 R552 S553 G558 L559 W560	V446-F556 HydrophobicContact CB-CZ 4.48Å; V446-F556 HydrophobicContact CG1-CD2 4.28Å; V446-F556 HydrophobicContact CG1-CE1 4.34Å; V446-F556 HydrophobicContact CG1-CE2 3.99Å; V446-F556 HydrophobicContact CG1-CZ 4.02Å; V446-F556 HydrophobicContact CG2-CE1 4.2Å; V446-F556 HydrophobicContact CG2-CZ 3.96Å; L448-F556 HydrophobicContact CD1-CB 3.59Å; L448-F556 HydrophobicContact CD1-CG 4.23Å; L448-F556 HydrophobicContact CD2-CD2 4.21Å; L521-F556 HydrophobicContact CD1-CD2 4.13Å; M524-F556 HydrophobicContact CE-CD2 3.97Å; M524-F556 HydrophobicContact CE-CE2 3.63Å; A525-F556 HydrophobicContact CB-CE2 3.85Å; A525-F556 HydrophobicContact CB-CZ 4.24Å; I542-F556 HydrophobicContact CD1-CE1 4.02Å; V544-F556 HydrophobicContact CB-CD1 4.36Å; V544-F556 HydrophobicContact CG1-CB 4.18Å; V544-F556 HydrophobicContact CG1-CD1 3.74Å; V544-F556 HydrophobicContact CG1-CE1 4.49Å; V544-F556 HydrophobicContact CG1-CG 4.14Å; V544-F556 HydrophobicContact CG2-CD1 3.64Å; V544-F556 HydrophobicContact CG2-CE1 3.75Å; R552-F556 PolarHBondContact O-N 3.07Å; R552-F556 VanDerWaalsContact O-N 3.16Å; S553-F556 PolarHBondContact O-N 2.91Å; F556-G558 VanDerWaalsContact C-N 3.33Å; F556-G558 PolarHBondContact O-N 3.01Å; F556-L559 PolarHBondContact O-N 2.96Å; F556-W560 AromaticContact CE1-CE3 3.82Å; F556-W560 HydrophobicContact CE1-CE3 3.82Å; F556-W560 HydrophobicContact CE1-CZ3 4.45Å; F556-W560 AromaticContact CZ-CE3 3.88Å; F556-W560 HydrophobicContact CZ-CE3 3.88Å; F556-W560 HydrophobicContact CZ-CZ3 4.25Å; F556-W560 VanDerWaalsContact O-CB 3.29Å; F556-W560 WeakPolarHBondContact O-CB 3.45Å; F556-W560 PolarHBondContact O-N 2.76Å
557	C	98.2	Very high	96.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-38.1	176.3	-67.1	0	0	0	0	112.1	L419 T421 S553 G554 W560 N561 L581	L419-C557 HydrophobicContact CD1-CB 4.04Å; T421-C557 VanDerWaalsContact CG2-SG 3.51Å; S553-C557 WeakPolarHBondContact O-CB 3.26Å; S553-C557 PolarHBondContact O-N 2.84Å; S553-C557 PolarHBondContact O-SG 3.15Å; G554-C557 PolarHBondContact O-N 2.85Å; C557-W560 WeakPolarHBondContact O-CB 3.47Å; C557-W560 PolarHBondContact O-N 3.28Å; C557-N561 PolarHBondContact O-N 2.81Å; C557-N561 VanDerWaalsContact O-N 3.1Å; C557-L581 HydrophobicContact CB-CD1 4.37Å; C557-L581 HydrophobicContact CB-CD2 3.91Å
558	G	98.1	Very high	96.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-52.4	173.6	0	0	0	0	0	111.6	G554 I555 F556 W560 N561 L562	G554-G558 PolarHBondContact O-N 2.91Å; I555-G558 PolarHBondContact O-N 3.29Å; F556-G558 VanDerWaalsContact C-N 3.33Å; F556-G558 PolarHBondContact O-N 3.01Å; G558-W560 VanDerWaalsContact C-N 3.31Å; G558-W560 PolarHBondContact O-N 3.48Å; G558-N561 PolarHBondContact O-N 3.11Å; G558-L562 WeakPolarHBondContact O-CB 3.36Å; G558-L562 WeakPolarHBondContact O-CD1 3.3Å; G558-L562 WeakPolarHBondContact O-CG 3.47Å; G558-L562 PolarHBondContact O-N 3.27Å
559	L	97.8	Very high	96	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.5	-39.6	175.4	-67.7	179.3	0	0	0	112.4	L521 V522 I555 F556 N561 L562 L563 F597 L598 A601	L521-L559 HydrophobicContact CD2-CD1 3.67Å; L521-L559 HydrophobicContact CG-CD1 4.12Å; V522-L559 HydrophobicContact CG2-CD1 4.39Å; I555-L559 HydrophobicContact CG2-CD1 4.27Å; I555-L559 WeakPolarHBondContact O-CG 3.49Å; I555-L559 PolarHBondContact O-N 3.5Å; F556-L559 PolarHBondContact O-N 2.96Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 2.93Å; L559-L562 PolarHBondContact O-N 2.97Å; L559-L563 VanDerWaalsContact O-CB 3.26Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 WeakPolarHBondContact O-CG 3.46Å; L559-L563 PolarHBondContact O-N 3.19Å; L559-F597 HydrophobicContact CD1-CE1 4.27Å; L559-L598 HydrophobicContact CD2-CD2 3.57Å; L559-L598 HydrophobicContact CG-CD2 3.62Å; L559-A601 HydrophobicContact CD1-CB 4.16Å; L559-A601 HydrophobicContact CD2-CB 3.43Å; L559-A601 VanDerWaalsContact CD2-CB 3.43Å; L559-A601 HydrophobicContact CG-CB 4.45Å
560	W	95.9	Very high	95.9	Very high	27 Å²	27	20.1 Å²	20.1	10%	0.102	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-48.4	179	-177.4	-85.9	0	0	0	111.5	L419 V528 K529 I542 F556 C557 G558 D564	L419-W560 HydrophobicContact CD2-CD2 4.49Å; L419-W560 HydrophobicContact CD2-CG 4.26Å; V528-W560 HydrophobicContact CB-CZ3 3.99Å; V528-W560 HydrophobicContact CG1-CH2 3.91Å; V528-W560 HydrophobicContact CG1-CZ3 3.6Å; K529-W560 HydrophobicContact CB-CH2 4.21Å; K529-W560 HydrophobicContact CB-CZ3 4.46Å; K529-W560 HydrophobicContact CD-CH2 4.4Å; K529-W560 HydrophobicContact CD-CZ3 4.33Å; K529-W560 HydrophobicContact CG-CE3 4.03Å; K529-W560 HydrophobicContact CG-CH2 3.27Å; K529-W560 HydrophobicContact CG-CZ2 3.8Å; K529-W560 HydrophobicContact CG-CZ3 3.39Å; K529-W560 PolarHBondContact NZ-O 2.86Å; I542-W560 HydrophobicContact CD1-CD2 3.89Å; I542-W560 HydrophobicContact CD1-CE3 3.8Å; I542-W560 HydrophobicContact CD1-CH2 3.7Å; I542-W560 HydrophobicContact CD1-CZ2 3.82Å; I542-W560 HydrophobicContact CD1-CZ3 3.7Å; I542-W560 HydrophobicContact CG1-CZ2 4.49Å; F556-W560 AromaticContact CE1-CE3 3.82Å; F556-W560 HydrophobicContact CE1-CE3 3.82Å; F556-W560 HydrophobicContact CE1-CZ3 4.45Å; F556-W560 AromaticContact CZ-CE3 3.88Å; F556-W560 HydrophobicContact CZ-CE3 3.88Å; F556-W560 HydrophobicContact CZ-CZ3 4.25Å; F556-W560 VanDerWaalsContact O-CB 3.29Å; F556-W560 WeakPolarHBondContact O-CB 3.45Å; F556-W560 PolarHBondContact O-N 2.76Å; C557-W560 WeakPolarHBondContact O-CB 3.47Å; C557-W560 PolarHBondContact O-N 3.28Å; G558-W560 VanDerWaalsContact C-N 3.31Å; G558-W560 PolarHBondContact O-N 3.48Å; W560-D564 PolarHBondContact O-N 3.1Å
561	N	96.3	Very high	95.8	Very high	13 Å²	13	21.7 Å²	21.7	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-70.2	-43.7	179.7	-71.9	-15.6	0	0	0	112.1	N411 G412 Y413 C557 G558 L559 L563 D564 S565 V577	N411-N561 PolarHBondContact O-ND2 2.95Å; G412-N561 WeakPolarHBondContact CA-OD1 3.22Å; Y413-N561 PolarHBondContact N-OD1 3.18Å; C557-N561 PolarHBondContact O-N 2.81Å; C557-N561 VanDerWaalsContact O-N 3.1Å; G558-N561 PolarHBondContact O-N 3.11Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 2.93Å; N561-L563 VanDerWaalsContact C-N 3.34Å; N561-L563 PolarHBondContact O-N 2.84Å; N561-D564 PolarHBondContact O-N 3.09Å; N561-S565 PolarHBondContact O-N 2.81Å; N561-V577 HydrophobicContact CB-CG1 4.03Å; N561-V577 HydrophobicContact CB-CG2 4.3Å
562	L	97.9	Very high	95.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.1	-34.7	-179.9	-68.2	162.7	0	0	0	112.5	G558 L559 S565 A566 V572 V574 V577 L598 L602	G558-L562 WeakPolarHBondContact O-CB 3.36Å; G558-L562 WeakPolarHBondContact O-CD1 3.3Å; G558-L562 WeakPolarHBondContact O-CG 3.47Å; G558-L562 PolarHBondContact O-N 3.27Å; L559-L562 PolarHBondContact O-N 2.97Å; L562-S565 PolarHBondContact O-OG 3.45Å; L562-A566 WeakPolarHBondContact O-CB 3Å; L562-A566 PolarHBondContact O-N 3.46Å; L562-V572 HydrophobicContact CD2-CB 4.16Å; L562-V574 HydrophobicContact CD1-CG1 4.41Å; L562-V574 HydrophobicContact CD1-CG2 4.06Å; L562-V574 HydrophobicContact CD2-CG2 4.11Å; L562-V577 HydrophobicContact CD2-CB 4.25Å; L562-V577 HydrophobicContact CD2-CG2 3.82Å; L562-V577 HydrophobicContact CG-CB 4.36Å; L562-V577 HydrophobicContact CG-CG1 4.29Å; L562-V577 HydrophobicContact CG-CG2 4.14Å; L562-L598 HydrophobicContact CD1-CB 4.38Å; L562-L598 HydrophobicContact CD1-CD1 4.2Å; L562-L602 HydrophobicContact CB-CD1 4.38Å; L562-L602 HydrophobicContact CB-CD2 4.04Å; L562-L602 HydrophobicContact CD1-CD1 4.1Å; L562-L602 HydrophobicContact CD2-CD1 4.45Å
563	L	96	Very high	95.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-67.4	-39.4	175.4	-72.5	170.6	0	0	0	111.5	V522 A525 L559 N561 E567 A605 F606	V522-L563 HydrophobicContact CG1-CD1 4.32Å; V522-L563 HydrophobicContact CG1-CD2 4.28Å; A525-L563 HydrophobicContact CB-CD1 4.09Å; L559-L563 VanDerWaalsContact O-CB 3.26Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 WeakPolarHBondContact O-CG 3.46Å; L559-L563 PolarHBondContact O-N 3.19Å; N561-L563 VanDerWaalsContact C-N 3.34Å; N561-L563 PolarHBondContact O-N 2.84Å; L563-E567 WeakPolarHBondContact O-CB 3.28Å; L563-E567 VanDerWaalsContact O-CG 3.3Å; L563-E567 WeakPolarHBondContact O-CG 3.28Å; L563-E567 PolarHBondContact O-N 2.85Å; L563-A605 HydrophobicContact CD2-CB 4.29Å; L563-F606 HydrophobicContact CD2-CE2 4.02Å; L563-F606 HydrophobicContact CD2-CZ 4.28Å
564	D	93.4	Very high	96	Very high	18 Å²	18	18.9 Å²	18.9	10%	0.096	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-47.6	175.3	-77.6	-30	0	0	0	111.4	Y413 K529 W560 N561 A566 E567 T568	Y413-D564 HydrophobicContact CD1-CB 3.43Å; Y413-D564 VanDerWaalsContact CD1-CB 3.43Å; Y413-D564 HydrophobicContact CD2-CB 4.34Å; Y413-D564 HydrophobicContact CE1-CB 4.16Å; Y413-D564 HydrophobicContact CG-CB 3.51Å; K529-D564 IonicContact NZ-OD1 2.7Å; K529-D564 PolarHBondContact NZ-OD1 3.42Å; K529-D564 IonicContact NZ-OD2 3.99Å; K529-D564 PolarHBondContact NZ-OD2 3.49Å; W560-D564 PolarHBondContact O-N 3.1Å; N561-D564 PolarHBondContact O-N 3.09Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 3.11Å; D564-E567 PolarHBondContact O-N 3.47Å; D564-T568 WeakPolarHBondContact O-CB 3.44Å; D564-T568 PolarHBondContact O-N 3.21Å; D564-T568 PolarHBondContact O-OG1 2.94Å
565	S	94.3	Very high	96	Very high	13 Å²	13	18.9 Å²	18.9	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-39.5	178.8	76.5	0	0	0	0	112	Y413 N561 L562 E567 E569 K570 L571	Y413-S565 VanDerWaalsContact CE2-CA 3.5Å; N561-S565 PolarHBondContact O-N 2.81Å; L562-S565 PolarHBondContact O-OG 3.45Å; S565-E567 VanDerWaalsContact C-N 3.34Å; S565-E567 PolarHBondContact O-N 3.08Å; S565-E569 WeakPolarHBondContact O-CA 3.31Å; S565-E569 WeakPolarHBondContact O-CB 3.42Å; S565-E569 PolarHBondContact O-N 3.03Å; S565-K570 PolarHBondContact O-N 3.01Å; S565-L571 CarbonylContact C-O 3.58Å; S565-L571 WeakPolarHBondContact CB-O 3.43Å; S565-L571 PolarHBondContact OG-O 3.3Å
566	A	94.9	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-39.3	176.1	0	0	0	0	0	112.1	L308 L562 D564 K570 L571 V572 F606	L308-A566 HydrophobicContact CD1-CB 4.07Å; L308-A566 WeakPolarHBondContact CD1-O 3.4Å; L308-A566 HydrophobicContact CD2-CB 4.09Å; L308-A566 HydrophobicContact CG-CB 4.47Å; L562-A566 WeakPolarHBondContact O-CB 3Å; L562-A566 PolarHBondContact O-N 3.46Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 3.11Å; A566-K570 WeakPolarHBondContact O-CA 3.48Å; A566-K570 WeakPolarHBondContact O-CD 3.45Å; A566-K570 PolarHBondContact O-N 2.87Å; A566-L571 PolarHBondContact N-O 3.28Å; A566-V572 HydrophobicContact CB-CG1 3.71Å; A566-F606 HydrophobicContact CB-CE1 4.11Å; A566-F606 HydrophobicContact CB-CE2 3.57Å; A566-F606 HydrophobicContact CB-CZ 3.32Å
567	E	91.5	Very high	95.9	Very high	87 Å²	87	20.4 Å²	20.4	41%	0.407	10%	0.101	S	C	.	.	H	α-helix	trans	-73.5	-41.4	179.1	-75.2	179.1	-170.3	0	0	112.3	L563 D564 S565 K570	L563-E567 WeakPolarHBondContact O-CB 3.28Å; L563-E567 VanDerWaalsContact O-CG 3.3Å; L563-E567 WeakPolarHBondContact O-CG 3.28Å; L563-E567 PolarHBondContact O-N 2.85Å; D564-E567 PolarHBondContact O-N 3.47Å; S565-E567 VanDerWaalsContact C-N 3.34Å; S565-E567 PolarHBondContact O-N 3.08Å; E567-K570 PolarHBondContact O-NZ 3.22Å
568	T	91.4	Very high	95.9	Very high	46 Å²	46	20.4 Å²	20.4	28%	0.282	10%	0.101	S	C	.	.	H	α-helix	trans	-83.4	-52.7	-176	-58.4	0	0	0	0	113.1	Y413 W414 D564	Y413-T568 HydrophobicContact CE1-CG2 4.2Å; Y413-T568 VanDerWaalsContact OH-CB 3.29Å; Y413-T568 WeakPolarHBondContact OH-CB 3.4Å; Y413-T568 VanDerWaalsContact OH-CG2 3.23Å; Y413-T568 WeakPolarHBondContact OH-CG2 3.22Å; W414-T568 HydrophobicContact CH2-CG2 3.79Å; W414-T568 HydrophobicContact CZ2-CG2 4.12Å; W414-T568 VanDerWaalsContact CZ2-OG1 3.28Å; W414-T568 WeakPolarHBondContact CZ2-OG1 3.5Å; D564-T568 WeakPolarHBondContact O-CB 3.44Å; D564-T568 PolarHBondContact O-N 3.21Å; D564-T568 PolarHBondContact O-OG1 2.94Å
569	E	92.6	Very high	95.8	Very high	26 Å²	26	21 Å²	21	12%	0.121	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-9.6	-171.7	-70	-180	70.6	0	0	113.8	Y178 K219 R223 Y413 S565 L571	Y178-E569 PolarHBondContact OH-OE1 2.76Å; K219-E569 WeakPolarHBondContact CE-OE1 3.3Å; K219-E569 WeakPolarHBondContact CE-OE2 3.44Å; K219-E569 IonicContact NZ-OE1 3.53Å; K219-E569 PolarHBondContact NZ-OE1 3.44Å; K219-E569 IonicContact NZ-OE2 3.29Å; K219-E569 PolarHBondContact NZ-OE2 2.95Å; R223-E569 IonicContact CZ-OE1 2.65Å; R223-E569 IonicContact NE-OE1 3.68Å; R223-E569 PolarHBondContact NE-OE1 2.89Å; R223-E569 IonicContact NH2-OE1 3.85Å; R223-E569 PolarHBondContact NH2-OE1 2.83Å; Y413-E569 WeakPolarHBondContact CE2-OE2 3.09Å; Y413-E569 WeakPolarHBondContact OH-CG 3.46Å; Y413-E569 PolarHBondContact OH-OE2 3.3Å; S565-E569 WeakPolarHBondContact O-CA 3.31Å; S565-E569 WeakPolarHBondContact O-CB 3.42Å; S565-E569 PolarHBondContact O-N 3.03Å; E569-L571 HydrophobicContact CB-CB 4.26Å; E569-L571 HydrophobicContact CB-CD1 4.35Å; E569-L571 PolarHBondContact O-N 3.04Å
570	K	94.4	Very high	95.7	Very high	118 Å²	118	23.3 Å²	23.3	51%	0.513	12%	0.115	S	C	.	.	S	Bend	trans	58.7	29.8	-170.8	-46.2	-51.9	-178	-159.8	0	112.9	L308 S565 A566 E567	L308-K570 WeakPolarHBondContact CB-O 3.4Å; L308-K570 HydrophobicContact CD1-CB 4.28Å; L308-K570 HydrophobicContact CD1-CD 4.3Å; L308-K570 WeakPolarHBondContact CG-O 3.37Å; L308-K570 PolarHBondContact N-O 3.16Å; S565-K570 PolarHBondContact O-N 3.01Å; A566-K570 WeakPolarHBondContact O-CA 3.48Å; A566-K570 WeakPolarHBondContact O-CD 3.45Å; A566-K570 PolarHBondContact O-N 2.87Å; E567-K570 PolarHBondContact O-NZ 3.22Å
571	L	94.8	Very high	95.8	Very high	33 Å²	33	22 Å²	22	17%	0.173	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.1	-178.6	-68.9	159.7	0	0	0	109.8	E305 I306 S307 S565 A566 E569	E305-L571 HydrophobicContact CG-CB 4.15Å; E305-L571 HydrophobicContact CG-CD2 4.04Å; I306-L571 WeakPolarHBondContact O-CA 3.31Å; S307-L571 VanDerWaalsContact CA-CD2 3.44Å; S565-L571 CarbonylContact C-O 3.58Å; S565-L571 WeakPolarHBondContact CB-O 3.43Å; S565-L571 PolarHBondContact OG-O 3.3Å; A566-L571 PolarHBondContact N-O 3.28Å; E569-L571 HydrophobicContact CB-CB 4.26Å; E569-L571 HydrophobicContact CB-CD1 4.35Å; E569-L571 PolarHBondContact O-N 3.04Å
572	V	97	Very high	95.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.1	174.3	-67.1	0	0	0	0	110.1	I306 L308 L311 L562 A566 L602	I306-V572 HydrophobicContact CB-CG2 4.14Å; I306-V572 PolarHBondContact N-O 3.24Å; I306-V572 PolarHBondContact O-N 2.95Å; L308-V572 HydrophobicContact CD2-CG1 4.05Å; L311-V572 HydrophobicContact CD1-CG2 4.06Å; L562-V572 HydrophobicContact CD2-CB 4.16Å; A566-V572 HydrophobicContact CB-CG1 3.71Å; V572-L602 HydrophobicContact CB-CD1 4.1Å; V572-L602 HydrophobicContact CG1-CD1 4.14Å; V572-L602 HydrophobicContact CG1-CD2 4.16Å; V572-L602 HydrophobicContact CG2-CD1 4.15Å
573	D	97.6	Very high	95.6	Very high	13 Å²	13	24.5 Å²	24.5	7%	0.07	12%	0.12	C	C	.	.			trans	-134.9	85.3	175.9	-168.1	-25.9	0	0	0	108.9	H215 T304 E305 F575 Q576 V577	H215-D573 IonicContact CE1-OD2 3.23Å; H215-D573 IonicContact NE2-OD2 3.06Å; T304-D573 PolarHBondContact OG1-OD1 3.27Å; T304-D573 PolarHBondContact OG1-OD2 3.36Å; E305-D573 HydrophobicContact CB-CB 4.35Å; D573-F575 VanDerWaalsContact C-N 3.29Å; D573-F575 PolarHBondContact O-N 3.19Å; D573-F575 PolarHBondContact OD1-N 3.42Å; D573-Q576 HydrophobicContact CB-CB 4.3Å; D573-Q576 VanDerWaalsContact CG-CG 3.48Å; D573-Q576 WeakPolarHBondContact OD1-CB 3.44Å; D573-Q576 WeakPolarHBondContact OD1-CG 3.46Å; D573-Q576 PolarHBondContact OD1-N 3.14Å; D573-Q576 WeakPolarHBondContact OD2-CG 3.32Å; D573-V577 WeakPolarHBondContact O-CB 3.25Å; D573-V577 WeakPolarHBondContact O-CG2 3.34Å; D573-V577 PolarHBondContact O-N 3.15Å; D573-V577 VanDerWaalsContact O-N 3.13Å
574	V	98.4	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-40.8	-176.3	-175.3	0	0	0	0	110.1	L562 V578 Y595 L598 Y599 L602	L562-V574 HydrophobicContact CD1-CG1 4.41Å; L562-V574 HydrophobicContact CD1-CG2 4.06Å; L562-V574 HydrophobicContact CD2-CG2 4.11Å; V574-V578 HydrophobicContact CG1-CG2 4.16Å; V574-V578 WeakPolarHBondContact O-CB 3.29Å; V574-V578 WeakPolarHBondContact O-CG2 3.36Å; V574-V578 PolarHBondContact O-N 3.19Å; V574-Y595 HydrophobicContact CG1-CD2 4.19Å; V574-Y595 HydrophobicContact CG1-CE2 3.64Å; V574-L598 HydrophobicContact CG1-CB 3.95Å; V574-L598 HydrophobicContact CG1-CD1 3.82Å; V574-Y599 HydrophobicContact CB-CD2 4.41Å; V574-Y599 HydrophobicContact CB-CE1 4.3Å; V574-Y599 HydrophobicContact CB-CE2 3.76Å; V574-Y599 HydrophobicContact CG1-CD2 4.15Å; V574-Y599 HydrophobicContact CG1-CE2 3.82Å; V574-Y599 HydrophobicContact CG2-CD1 4.09Å; V574-Y599 HydrophobicContact CG2-CD2 4.28Å; V574-Y599 HydrophobicContact CG2-CE1 3.7Å; V574-Y599 HydrophobicContact CG2-CE2 3.93Å; V574-Y599 HydrophobicContact CG2-CG 4.37Å; V574-L602 HydrophobicContact CG2-CD1 3.69Å
575	F	98.2	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-53.4	179.2	-176.3	-85.5	0	0	0	112	F301 T304 E333 R336 L337 D573 V577 V578 K579 Y595	F301-F575 HydrophobicContact CB-CD1 4.46Å; F301-F575 HydrophobicContact CB-CE1 3.62Å; F301-F575 HydrophobicContact CB-CZ 4.02Å; F301-F575 AromaticContact CD1-CE1 3.71Å; F301-F575 HydrophobicContact CD1-CE1 3.71Å; F301-F575 AromaticContact CD1-CZ 3.42Å; F301-F575 HydrophobicContact CD1-CZ 3.42Å; F301-F575 VanDerWaalsContact CD1-CZ 3.42Å; F301-F575 HydrophobicContact CE1-CZ 4.16Å; F301-F575 AromaticContact CG-CE1 3.7Å; F301-F575 HydrophobicContact CG-CE1 3.7Å; F301-F575 AromaticContact CG-CZ 3.92Å; F301-F575 HydrophobicContact CG-CZ 3.92Å; T304-F575 HydrophobicContact CG2-CB 3.75Å; T304-F575 HydrophobicContact CG2-CD1 4.09Å; T304-F575 HydrophobicContact CG2-CD2 4.35Å; T304-F575 HydrophobicContact CG2-CG 3.81Å; E333-F575 HydrophobicContact CG-CB 4.46Å; E333-F575 HydrophobicContact CG-CD2 3.68Å; E333-F575 HydrophobicContact CG-CE2 4.47Å; E333-F575 HydrophobicContact CG-CG 4.48Å; E333-F575 VanDerWaalsContact O-CE2 3.26Å; E333-F575 WeakPolarHBondContact O-CE2 3.49Å; R336-F575 HydrophobicContact CB-CE2 4.03Å; R336-F575 HydrophobicContact CB-CZ 4.38Å; L337-F575 HydrophobicContact CB-CE2 4.31Å; L337-F575 HydrophobicContact CD2-CD1 4.22Å; L337-F575 HydrophobicContact CD2-CD2 3.57Å; L337-F575 HydrophobicContact CD2-CE1 4.13Å; L337-F575 HydrophobicContact CD2-CE2 3.49Å; L337-F575 VanDerWaalsContact CD2-CE2 3.49Å; L337-F575 HydrophobicContact CD2-CG 3.94Å; L337-F575 HydrophobicContact CD2-CZ 3.77Å; L337-F575 WeakPolarHBondContact CD2-O 3.4Å; L337-F575 HydrophobicContact CG-CD2 3.78Å; L337-F575 HydrophobicContact CG-CE2 3.54Å; L337-F575 HydrophobicContact CG-CZ 4.18Å; D573-F575 VanDerWaalsContact C-N 3.29Å; D573-F575 PolarHBondContact O-N 3.19Å; D573-F575 PolarHBondContact OD1-N 3.42Å; F575-V577 PolarHBondContact O-N 3.09Å; F575-V578 PolarHBondContact O-N 2.77Å; F575-K579 HydrophobicContact CE1-CD 4.11Å; F575-K579 WeakPolarHBondContact O-CB 3.39Å; F575-K579 PolarHBondContact O-N 2.89Å; F575-Y595 WeakPolarHBondContact CA-OH 3.39Å; F575-Y595 PolarHBondContact N-OH 3.27Å
576	Q	96.9	Very high	95.8	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-39.7	-177	-69.7	-68.2	-18	0	0	112.3	H215 E297 D573 V578 K579 I580	H215-Q576 PolarHBondContact ND1-NE2 3.1Å; E297-Q576 PolarHBondContact OE1-NE2 2.76Å; E297-Q576 VanDerWaalsContact OE1-NE2 3.1Å; E297-Q576 PolarHBondContact OE1-OE1 3.31Å; D573-Q576 HydrophobicContact CB-CB 4.3Å; D573-Q576 VanDerWaalsContact CG-CG 3.48Å; D573-Q576 WeakPolarHBondContact OD1-CB 3.44Å; D573-Q576 WeakPolarHBondContact OD1-CG 3.46Å; D573-Q576 PolarHBondContact OD1-N 3.14Å; D573-Q576 WeakPolarHBondContact OD2-CG 3.32Å; Q576-V578 VanDerWaalsContact C-N 3.34Å; Q576-V578 PolarHBondContact O-N 3.14Å; Q576-K579 PolarHBondContact O-N 3.26Å; Q576-I580 VanDerWaalsContact O-CG1 3.31Å; Q576-I580 WeakPolarHBondContact O-CG1 3.37Å; Q576-I580 PolarHBondContact O-N 2.82Å
577	V	97.7	Very high	95.8	Very high	23 Å²	23	27 Å²	27	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-46.5	174.6	169.6	0	0	0	0	110.8	N561 L562 D573 F575 I580 L581	N561-V577 HydrophobicContact CB-CG1 4.03Å; N561-V577 HydrophobicContact CB-CG2 4.3Å; L562-V577 HydrophobicContact CD2-CB 4.25Å; L562-V577 HydrophobicContact CD2-CG2 3.82Å; L562-V577 HydrophobicContact CG-CB 4.36Å; L562-V577 HydrophobicContact CG-CG1 4.29Å; L562-V577 HydrophobicContact CG-CG2 4.14Å; D573-V577 WeakPolarHBondContact O-CB 3.25Å; D573-V577 WeakPolarHBondContact O-CG2 3.34Å; D573-V577 PolarHBondContact O-N 3.15Å; D573-V577 VanDerWaalsContact O-N 3.13Å; F575-V577 PolarHBondContact O-N 3.09Å; V577-I580 PolarHBondContact O-N 3.49Å; V577-L581 HydrophobicContact CG1-CD1 4.06Å; V577-L581 VanDerWaalsContact O-CG 3.28Å; V577-L581 WeakPolarHBondContact O-CG 3.49Å; V577-L581 PolarHBondContact O-N 2.85Å
578	V	98.4	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-40.6	179.9	174.7	0	0	0	0	111.8	L337 V574 F575 Q576 I580 L581 R582 I589 Y595 L598	L337-V578 HydrophobicContact CD1-CB 4.3Å; L337-V578 HydrophobicContact CD1-CG1 3.64Å; L337-V578 HydrophobicContact CD2-CB 4.29Å; L337-V578 HydrophobicContact CD2-CG1 4.19Å; V574-V578 HydrophobicContact CG1-CG2 4.16Å; V574-V578 WeakPolarHBondContact O-CB 3.29Å; V574-V578 WeakPolarHBondContact O-CG2 3.36Å; V574-V578 PolarHBondContact O-N 3.19Å; F575-V578 PolarHBondContact O-N 2.77Å; Q576-V578 VanDerWaalsContact C-N 3.34Å; Q576-V578 PolarHBondContact O-N 3.14Å; V578-I580 VanDerWaalsContact C-N 3.35Å; V578-I580 PolarHBondContact O-N 2.57Å; V578-L581 PolarHBondContact O-N 3.01Å; V578-R582 HydrophobicContact CG1-CG 4.48Å; V578-R582 WeakPolarHBondContact O-CG 3.37Å; V578-R582 PolarHBondContact O-N 2.7Å; V578-I589 HydrophobicContact CB-CD1 4.42Å; V578-I589 HydrophobicContact CG1-CB 3.96Å; V578-I589 HydrophobicContact CG1-CD1 4.24Å; V578-I589 HydrophobicContact CG1-CG2 3.95Å; V578-I589 HydrophobicContact CG2-CD1 3.69Å; V578-I589 HydrophobicContact CG2-CG2 4.32Å; V578-Y595 HydrophobicContact CB-CD2 4.37Å; V578-Y595 HydrophobicContact CB-CE2 4.14Å; V578-Y595 HydrophobicContact CG1-CD2 4.26Å; V578-Y595 HydrophobicContact CG1-CE2 4.39Å; V578-Y595 HydrophobicContact CG2-CD2 3.86Å; V578-Y595 HydrophobicContact CG2-CE2 3.81Å; V578-L598 HydrophobicContact CG2-CD1 3.62Å
579	K	97.2	Very high	96.3	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.057	10%	0.103	C	C	.	.	H	α-helix	trans	-57.9	-46.9	175.5	-178.5	-177.2	174.8	-129	0	111.3	E297 F301 L337 P338 F340 F575 Q576 R582 K583	E297-K579 IonicContact OE1-NZ 3.55Å; E297-K579 PolarHBondContact OE1-NZ 3.15Å; E297-K579 IonicContact OE2-NZ 2.7Å; E297-K579 PolarHBondContact OE2-NZ 2.98Å; F301-K579 HydrophobicContact CE2-CD 4.39Å; L337-K579 HydrophobicContact CD2-CB 3.96Å; P338-K579 HydrophobicContact CG-CD 4.29Å; P338-K579 HydrophobicContact CG-CG 3.93Å; F340-K579 HydrophobicContact CE2-CG 4.11Å; F340-K579 WeakPolarHBondContact CE2-O 3.49Å; F340-K579 HydrophobicContact CZ-CG 4.14Å; F575-K579 HydrophobicContact CE1-CD 4.11Å; F575-K579 WeakPolarHBondContact O-CB 3.39Å; F575-K579 PolarHBondContact O-N 2.89Å; Q576-K579 PolarHBondContact O-N 3.26Å; K579-R582 PolarHBondContact O-N 3.35Å; K579-K583 PolarHBondContact O-N 2.82Å
580	I	95.1	Very high	96.5	Very high	47 Å²	47	23.6 Å²	23.6	24%	0.241	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-44.3	178.1	-67	166	0	0	0	110.6	Q576 V577 V578 R582 K583 D584	Q576-I580 VanDerWaalsContact O-CG1 3.31Å; Q576-I580 WeakPolarHBondContact O-CG1 3.37Å; Q576-I580 PolarHBondContact O-N 2.82Å; V577-I580 PolarHBondContact O-N 3.49Å; V578-I580 VanDerWaalsContact C-N 3.35Å; V578-I580 PolarHBondContact O-N 2.57Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 2.7Å; I580-K583 WeakPolarHBondContact O-CA 3.15Å; I580-K583 WeakPolarHBondContact O-CB 3.46Å; I580-K583 PolarHBondContact O-N 2.74Å; I580-D584 PolarHBondContact O-N 3.17Å
581	L	97.1	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-41.7	176.7	-69.6	173	0	0	0	112.3	I410 C557 V577 V578 K583 D584 R585 M588 I589	I410-L581 HydrophobicContact CG2-CD2 3.46Å; I410-L581 VanDerWaalsContact CG2-CD2 3.46Å; C557-L581 HydrophobicContact CB-CD1 4.37Å; C557-L581 HydrophobicContact CB-CD2 3.91Å; V577-L581 HydrophobicContact CG1-CD1 4.06Å; V577-L581 VanDerWaalsContact O-CG 3.28Å; V577-L581 WeakPolarHBondContact O-CG 3.49Å; V577-L581 PolarHBondContact O-N 2.85Å; V578-L581 PolarHBondContact O-N 3.01Å; L581-K583 VanDerWaalsContact C-N 3.28Å; L581-K583 PolarHBondContact O-N 3.23Å; L581-D584 PolarHBondContact O-N 2.82Å; L581-R585 PolarHBondContact O-N 3.02Å; L581-M588 HydrophobicContact CB-CB 4.04Å; L581-M588 HydrophobicContact CB-CG 4.24Å; L581-M588 WeakPolarHBondContact O-CG 3.46Å; L581-I589 HydrophobicContact CD1-CD1 3.93Å
582	R	96.9	Very high	96.8	Very high	32 Å²	32	19.5 Å²	19.5	12%	0.121	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-31.8	174.8	-75.3	-179.2	175.5	-173.7	7.6	112.8	F334 L337 F340 V578 K579 I580 M588 I589	F334-R582 VanDerWaalsContact CZ-NH2 3.25Å; L337-R582 PolarHBondContact O-NH1 3.22Å; F340-R582 HydrophobicContact CD2-CB 3.85Å; F340-R582 HydrophobicContact CE2-CB 4.22Å; V578-R582 HydrophobicContact CG1-CG 4.48Å; V578-R582 WeakPolarHBondContact O-CG 3.37Å; V578-R582 PolarHBondContact O-N 2.7Å; K579-R582 PolarHBondContact O-N 3.35Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 2.7Å; R582-M588 HydrophobicContact CG-CB 4.43Å; R582-M588 WeakPolarHBondContact CG-O 3.48Å; R582-I589 PolarHBondContact NE-O 3.11Å; R582-I589 VanDerWaalsContact NE-O 3.09Å; R582-I589 PolarHBondContact NH2-O 3.39Å
583	K	94.4	Very high	96.8	Very high	34 Å²	34	24.5 Å²	24.5	15%	0.148	13%	0.132	C	C	.	.	H	α-helix	trans	-71.5	-40	175.1	-167.1	-177.6	-178.1	-174.6	0	111.2	E213 F340 W343 Y366 K579 I580 L581	E213-K583 IonicContact OE1-NZ 3.56Å; E213-K583 PolarHBondContact OE1-NZ 3.41Å; E213-K583 IonicContact OE2-NZ 3Å; E213-K583 PolarHBondContact OE2-NZ 3.33Å; F340-K583 HydrophobicContact CD1-CB 4.44Å; F340-K583 HydrophobicContact CD1-CG 4.22Å; F340-K583 HydrophobicContact CD2-CB 4.02Å; F340-K583 HydrophobicContact CE1-CB 4.24Å; F340-K583 HydrophobicContact CE1-CD 4.35Å; F340-K583 HydrophobicContact CE1-CG 3.99Å; F340-K583 HydrophobicContact CE2-CB 3.78Å; F340-K583 HydrophobicContact CE2-CG 4.43Å; F340-K583 HydrophobicContact CG-CB 4.34Å; F340-K583 HydrophobicContact CZ-CB 3.9Å; F340-K583 HydrophobicContact CZ-CD 4.35Å; F340-K583 HydrophobicContact CZ-CG 4.1Å; W343-K583 VanDerWaalsContact CZ2-CE 3.43Å; W343-K583 HydrophobicContact CZ2-CG 4.47Å; Y366-K583 VanDerWaalsContact CE2-O 3.29Å; Y366-K583 WeakPolarHBondContact CE2-O 3.44Å; K579-K583 PolarHBondContact O-N 2.82Å; I580-K583 WeakPolarHBondContact O-CA 3.15Å; I580-K583 WeakPolarHBondContact O-CB 3.46Å; I580-K583 PolarHBondContact O-N 2.74Å; L581-K583 VanDerWaalsContact C-N 3.28Å; L581-K583 PolarHBondContact O-N 3.23Å
584	D	94.8	Very high	96.8	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-76.4	-34.6	-176.9	-76.6	-11.1	0	0	0	113.4	Y366 Y368 N369 I410 N411 I580 L581	Y366-D584 WeakPolarHBondContact CD2-O 3.43Å; Y368-D584 WeakPolarHBondContact OH-CA 3.48Å; Y368-D584 PolarHBondContact OH-OD1 3.34Å; Y368-D584 VanDerWaalsContact OH-OD1 3.1Å; N369-D584 PolarHBondContact ND2-O 2.98Å; I410-D584 HydrophobicContact CD1-CB 3.67Å; N411-D584 PolarHBondContact N-OD2 3.37Å; N411-D584 VanDerWaalsContact N-OD2 3.15Å; I580-D584 PolarHBondContact O-N 3.17Å; L581-D584 PolarHBondContact O-N 2.82Å
585	R	95.9	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-151.9	138.3	179.6	-176.7	168.3	170.3	95.9	-1.1	113.1	N406 S408 I410 T421 D548 G549 S550 L581 M588	N406-R585 PolarHBondContact OD1-NH1 2.98Å; N406-R585 PolarHBondContact OD1-NH2 3.07Å; S408-R585 PolarHBondContact OG-NH1 3.04Å; S408-R585 VanDerWaalsContact OG-NH1 3.07Å; I410-R585 HydrophobicContact CD1-CB 3.81Å; T421-R585 WeakPolarHBondContact OG1-CD 3.39Å; D548-R585 PolarHBondContact O-NH2 3.27Å; G549-R585 PolarHBondContact O-NE 3.34Å; G549-R585 VanDerWaalsContact O-NE 3.12Å; S550-R585 PolarHBondContact OG-NE 2.63Å; L581-R585 PolarHBondContact O-N 3.02Å; R585-M588 HydrophobicContact CB-CE 3.74Å; R585-M588 HydrophobicContact CB-CG 4.08Å; R585-M588 HydrophobicContact CG-CE 3.89Å; R585-M588 VanDerWaalsContact O-CG 3.24Å; R585-M588 WeakPolarHBondContact O-CG 3.38Å
586	K	95.7	Very high	96.8	Very high	56 Å²	56	28.7 Å²	28.7	24%	0.243	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	141.8	175	-66.3	-177.6	-179.9	177.8	0	111.3	C346 Y366 S550	C346-K586 VanDerWaalsContact SG-CE 3.57Å; C346-K586 PolarHBondContact SG-NZ 3.34Å; Y366-K586 HydrophobicContact CE1-CD 4.25Å; Y366-K586 HydrophobicContact CE1-CG 3.99Å; Y366-K586 HydrophobicContact CE2-CG 4.2Å; Y366-K586 WeakPolarHBondContact OH-CG 3.41Å; S550-K586 VanDerWaalsContact CB-O 3.23Å; S550-K586 WeakPolarHBondContact CB-O 3.17Å; S550-K586 PolarHBondContact OG-O 2.93Å
587	G	95.2	Very high	96.8	Very high	24 Å²	24	28.6 Å²	28.6	25%	0.247	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	7.1	174.3	0	0	0	0	0	115.4	S550 I589	S550-G587 WeakPolarHBondContact CB-O 3.35Å; G587-I589 PolarHBondContact O-N 2.9Å
588	M	97.3	Very high	96.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	S	Bend	trans	-74.8	120.1	175.5	-67.4	-66	178.9	0	0	110.8	I410 T421 S550 G554 L581 R582 R585 T590	I410-M588 HydrophobicContact CD1-CE 4.41Å; T421-M588 HydrophobicContact CG2-CE 3.92Å; S550-M588 VanDerWaalsContact O-SD 3.41Å; G554-M588 WeakPolarHBondContact CA-SD 3.46Å; L581-M588 HydrophobicContact CB-CB 4.04Å; L581-M588 HydrophobicContact CB-CG 4.24Å; L581-M588 WeakPolarHBondContact O-CG 3.46Å; R582-M588 HydrophobicContact CG-CB 4.43Å; R582-M588 WeakPolarHBondContact CG-O 3.48Å; R585-M588 HydrophobicContact CB-CE 3.74Å; R585-M588 HydrophobicContact CB-CG 4.08Å; R585-M588 HydrophobicContact CG-CE 3.89Å; R585-M588 VanDerWaalsContact O-CG 3.24Å; R585-M588 WeakPolarHBondContact O-CG 3.38Å; M588-T590 PolarHBondContact O-N 3.42Å
589	I	97.5	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	50.2	62.3	167.9	-49.6	172.6	0	0	0	111.3	V578 L581 R582 G587 Q594 Y595 L598	V578-I589 HydrophobicContact CB-CD1 4.42Å; V578-I589 HydrophobicContact CG1-CB 3.96Å; V578-I589 HydrophobicContact CG1-CD1 4.24Å; V578-I589 HydrophobicContact CG1-CG2 3.95Å; V578-I589 HydrophobicContact CG2-CD1 3.69Å; V578-I589 HydrophobicContact CG2-CG2 4.32Å; L581-I589 HydrophobicContact CD1-CD1 3.93Å; R582-I589 PolarHBondContact NE-O 3.11Å; R582-I589 VanDerWaalsContact NE-O 3.09Å; R582-I589 PolarHBondContact NH2-O 3.39Å; G587-I589 PolarHBondContact O-N 2.9Å; I589-Q594 HydrophobicContact CG2-CB 3.92Å; I589-Y595 HydrophobicContact CG2-CD2 4.49Å; I589-L598 HydrophobicContact CD1-CD1 3.88Å
590	T	95.8	Very high	96.8	Very high	86 Å²	86	31.9 Å²	31.9	53%	0.528	16%	0.163	S	C	.	.			trans	-92	-9.2	-171.5	53.4	0	0	0	0	113.8	M588	M588-T590 PolarHBondContact O-N 3.42Å
591	S	97.3	Very high	97	Very high	34 Å²	34	29.6 Å²	29.6	24%	0.238	15%	0.151	C	C	.	.	S	Bend	trans	-117.9	152.2	179.6	97.2	0	0	0	0	112.5	F334 E593 Q594 Y595	F334-S591 WeakPolarHBondContact CE2-O 3.48Å; S591-E593 WeakPolarHBondContact CB-OE2 3.29Å; S591-E593 PolarHBondContact O-N 2.73Å; S591-E593 PolarHBondContact OG-N 2.91Å; S591-E593 PolarHBondContact OG-OE2 2.84Å; S591-Q594 PolarHBondContact O-N 3.18Å; S591-Q594 WeakPolarHBondContact OG-CG 3.5Å; S591-Q594 PolarHBondContact OG-N 2.82Å; S591-Y595 PolarHBondContact O-N 3.31Å
592	L	97.6	Very high	97	Very high	31 Å²	31	29.6 Å²	29.6	16%	0.162	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-36.7	178	176.6	66.2	0	0	0	111.3	E331 F334 Q594 Y595 Q596	E331-L592 HydrophobicContact CG-CD1 4.08Å; E331-L592 HydrophobicContact CG-CD2 3.55Å; E331-L592 HydrophobicContact CG-CG 4.46Å; F334-L592 HydrophobicContact CB-CD1 3.74Å; F334-L592 HydrophobicContact CD1-CB 4.12Å; F334-L592 HydrophobicContact CD1-CD1 4.1Å; F334-L592 HydrophobicContact CE1-CB 4.18Å; F334-L592 HydrophobicContact CG-CB 4.49Å; F334-L592 HydrophobicContact CG-CD1 3.87Å; L592-Q594 VanDerWaalsContact C-N 3.33Å; L592-Q594 PolarHBondContact O-N 3.3Å; L592-Y595 WeakPolarHBondContact O-CB 3.48Å; L592-Y595 PolarHBondContact O-N 3.03Å; L592-Y595 VanDerWaalsContact O-N 3.16Å; L592-Q596 HydrophobicContact CD1-CG 4.24Å; L592-Q596 HydrophobicContact CG-CG 4.24Å; L592-Q596 WeakPolarHBondContact O-CB 3.42Å; L592-Q596 VanDerWaalsContact O-CG 3.32Å; L592-Q596 WeakPolarHBondContact O-CG 3.47Å; L592-Q596 PolarHBondContact O-N 3.44Å
593	E	97.5	Very high	96.8	Very high	105 Å²	105	30.7 Å²	30.7	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-64.5	-39.2	180	-55.8	74.8	-163.4	0	0	111.1	L514 S591 Y595 F597	L514-E593 VanDerWaalsContact CD1-C 3.48Å; L514-E593 HydrophobicContact CD1-CB 3.67Å; L514-E593 VanDerWaalsContact CD1-O 3.32Å; L514-E593 WeakPolarHBondContact CD1-O 3.05Å; S591-E593 WeakPolarHBondContact CB-OE2 3.29Å; S591-E593 PolarHBondContact O-N 2.73Å; S591-E593 PolarHBondContact OG-N 2.91Å; S591-E593 PolarHBondContact OG-OE2 2.84Å; E593-Y595 VanDerWaalsContact C-N 3.31Å; E593-F597 VanDerWaalsContact O-CB 3.3Å; E593-F597 WeakPolarHBondContact O-CB 3.3Å; E593-F597 PolarHBondContact O-N 2.62Å
594	Q	97.9	Very high	96.8	Very high	26 Å²	26	30.6 Å²	30.6	12%	0.121	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-37.8	175.2	-61.8	179.1	-24.9	0	0	111.2	L514 I555 I589 S591 L592 F597 L598	L514-Q594 HydrophobicContact CD2-CG 4.22Å; I555-Q594 HydrophobicContact CD1-CB 4.09Å; I555-Q594 HydrophobicContact CD1-CG 3.97Å; I555-Q594 HydrophobicContact CG1-CB 4.23Å; I589-Q594 HydrophobicContact CG2-CB 3.92Å; S591-Q594 PolarHBondContact O-N 3.18Å; S591-Q594 WeakPolarHBondContact OG-CG 3.5Å; S591-Q594 PolarHBondContact OG-N 2.82Å; L592-Q594 VanDerWaalsContact C-N 3.33Å; L592-Q594 PolarHBondContact O-N 3.3Å; Q594-F597 WeakPolarHBondContact O-CB 3.16Å; Q594-F597 PolarHBondContact O-N 2.75Å; Q594-L598 PolarHBondContact O-N 2.87Å
595	Y	98.4	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-48.6	176.5	-168.9	-107.1	0	0	0	112	M330 E333 F334 L337 V574 F575 V578 I589 S591 L592 E593 F597 L598 Y599	M330-Y595 HydrophobicContact CG-CD1 4.25Å; M330-Y595 HydrophobicContact CG-CE1 4.25Å; E333-Y595 HydrophobicContact CG-CE1 4.31Å; E333-Y595 WeakPolarHBondContact CG-OH 3.25Å; E333-Y595 PolarHBondContact OE1-OH 2.86Å; F334-Y595 HydrophobicContact CB-CD1 4.04Å; F334-Y595 HydrophobicContact CB-CE1 4.36Å; F334-Y595 HydrophobicContact CB-CG 4.49Å; F334-Y595 HydrophobicContact CD2-CD1 4Å; F334-Y595 HydrophobicContact CD2-CD2 4.02Å; F334-Y595 AromaticContact CD2-CG 3.59Å; F334-Y595 HydrophobicContact CD2-CG 3.59Å; F334-Y595 HydrophobicContact CE2-CG 4.32Å; F334-Y595 HydrophobicContact CG-CD1 4.47Å; F334-Y595 HydrophobicContact CG-CG 4.47Å; L337-Y595 HydrophobicContact CD1-CD2 3.95Å; L337-Y595 HydrophobicContact CD1-CE2 3.74Å; V574-Y595 HydrophobicContact CG1-CD2 4.19Å; V574-Y595 HydrophobicContact CG1-CE2 3.64Å; F575-Y595 WeakPolarHBondContact CA-OH 3.39Å; F575-Y595 PolarHBondContact N-OH 3.27Å; V578-Y595 HydrophobicContact CB-CD2 4.37Å; V578-Y595 HydrophobicContact CB-CE2 4.14Å; V578-Y595 HydrophobicContact CG1-CD2 4.26Å; V578-Y595 HydrophobicContact CG1-CE2 4.39Å; V578-Y595 HydrophobicContact CG2-CD2 3.86Å; V578-Y595 HydrophobicContact CG2-CE2 3.81Å; I589-Y595 HydrophobicContact CG2-CD2 4.49Å; S591-Y595 PolarHBondContact O-N 3.31Å; L592-Y595 WeakPolarHBondContact O-CB 3.48Å; L592-Y595 PolarHBondContact O-N 3.03Å; L592-Y595 VanDerWaalsContact O-N 3.16Å; E593-Y595 VanDerWaalsContact C-N 3.31Å; Y595-F597 PolarHBondContact O-N 3.22Å; Y595-L598 WeakPolarHBondContact O-CB 3.39Å; Y595-L598 PolarHBondContact O-N 3.19Å; Y595-L598 VanDerWaalsContact O-N 3.12Å; Y595-Y599 HydrophobicContact CD1-CD2 4.44Å; Y595-Y599 HydrophobicContact CD1-CE2 4.27Å; Y595-Y599 HydrophobicContact CE1-CD2 4.2Å; Y595-Y599 AromaticContact CE1-CE2 3.6Å; Y595-Y599 HydrophobicContact CE1-CE2 3.6Å; Y595-Y599 AromaticContact CZ-CE2 3.85Å
596	Q	98	Very high	96.7	Very high	76 Å²	76	30.6 Å²	30.6	36%	0.355	17%	0.166	S	C	.	.	H	α-helix	trans	-58.8	-35.6	174.4	-74.3	175.4	-10	0	0	112.2	M330 L592 L598 Y599 K600	M330-Q596 HydrophobicContact SD-CB 4.4Å; M330-Q596 HydrophobicContact SD-CG 3.6Å; M330-Q596 VanDerWaalsContact SD-CG 3.6Å; L592-Q596 HydrophobicContact CD1-CG 4.24Å; L592-Q596 HydrophobicContact CG-CG 4.24Å; L592-Q596 WeakPolarHBondContact O-CB 3.42Å; L592-Q596 VanDerWaalsContact O-CG 3.32Å; L592-Q596 WeakPolarHBondContact O-CG 3.47Å; L592-Q596 PolarHBondContact O-N 3.44Å; Q596-L598 VanDerWaalsContact C-N 3.31Å; Q596-L598 PolarHBondContact O-N 2.95Å; Q596-Y599 PolarHBondContact O-N 3.43Å; Q596-K600 PolarHBondContact O-N 3.24Å
597	F	98.2	Very high	96.4	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-37.7	176.8	-177.3	-83.6	0	0	0	112.5	L514 P515 P518 L521 I555 L559 E593 Q594 Y595 K600 A601	L514-F597 HydrophobicContact CB-CD2 4.05Å; L514-F597 HydrophobicContact CB-CE2 4.39Å; L514-F597 HydrophobicContact CD1-CB 4.11Å; L514-F597 HydrophobicContact CD1-CD2 4.36Å; L514-F597 HydrophobicContact CD2-CD2 4.43Å; P515-F597 HydrophobicContact CB-CE2 4.08Å; P515-F597 HydrophobicContact CB-CZ 4.22Å; P515-F597 HydrophobicContact CG-CE2 4.19Å; P515-F597 HydrophobicContact CG-CZ 4.09Å; P515-F597 WeakPolarHBondContact O-CE2 3.27Å; P518-F597 HydrophobicContact CB-CD2 4.32Å; P518-F597 HydrophobicContact CB-CE1 4.04Å; P518-F597 HydrophobicContact CB-CE2 3.75Å; P518-F597 HydrophobicContact CB-CZ 3.6Å; P518-F597 HydrophobicContact CG-CD2 3.86Å; P518-F597 HydrophobicContact CG-CE2 3.54Å; P518-F597 HydrophobicContact CG-CZ 3.96Å; L521-F597 HydrophobicContact CD2-CE1 3.88Å; L521-F597 HydrophobicContact CD2-CZ 4.17Å; I555-F597 HydrophobicContact CG2-CD1 3.58Å; I555-F597 HydrophobicContact CG2-CE1 3.59Å; L559-F597 HydrophobicContact CD1-CE1 4.27Å; E593-F597 VanDerWaalsContact O-CB 3.3Å; E593-F597 WeakPolarHBondContact O-CB 3.3Å; E593-F597 PolarHBondContact O-N 2.62Å; Q594-F597 WeakPolarHBondContact O-CB 3.16Å; Q594-F597 PolarHBondContact O-N 2.75Å; Y595-F597 PolarHBondContact O-N 3.22Å; F597-K600 PolarHBondContact O-N 3.42Å; F597-A601 WeakPolarHBondContact O-CB 3.47Å; F597-A601 PolarHBondContact O-N 3.03Å
598	L	98.6	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-46.2	175.3	-65.4	-176.9	0	0	0	111.5	I555 L559 L562 V574 V578 I589 Q594 Y595 Q596 K600 A601 L602	I555-L598 HydrophobicContact CG2-CD2 4.08Å; L559-L598 HydrophobicContact CD2-CD2 3.57Å; L559-L598 HydrophobicContact CG-CD2 3.62Å; L562-L598 HydrophobicContact CD1-CB 4.38Å; L562-L598 HydrophobicContact CD1-CD1 4.2Å; V574-L598 HydrophobicContact CG1-CB 3.95Å; V574-L598 HydrophobicContact CG1-CD1 3.82Å; V578-L598 HydrophobicContact CG2-CD1 3.62Å; I589-L598 HydrophobicContact CD1-CD1 3.88Å; Q594-L598 PolarHBondContact O-N 2.87Å; Y595-L598 WeakPolarHBondContact O-CB 3.39Å; Y595-L598 PolarHBondContact O-N 3.19Å; Y595-L598 VanDerWaalsContact O-N 3.12Å; Q596-L598 VanDerWaalsContact C-N 3.31Å; Q596-L598 PolarHBondContact O-N 2.95Å; L598-K600 PolarHBondContact O-N 2.81Å; L598-A601 WeakPolarHBondContact O-CB 3.49Å; L598-A601 PolarHBondContact O-N 3.45Å; L598-L602 WeakPolarHBondContact O-CG 3.32Å; L598-L602 PolarHBondContact O-N 3.31Å
599	Y	97.8	Very high	94.4	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175.1	-82.9	-74.2	0	0	0	112.5	I306 L315 L318 M330 E333 V574 Y595 Q596 A601 L602 E603	I306-Y599 HydrophobicContact CD1-CE1 3.83Å; L315-Y599 HydrophobicContact CD1-CD1 3.79Å; L315-Y599 HydrophobicContact CD1-CG 3.97Å; L318-Y599 HydrophobicContact CD1-CE1 4.03Å; M330-Y599 HydrophobicContact CE-CD1 4.21Å; M330-Y599 HydrophobicContact CE-CD2 3.5Å; M330-Y599 HydrophobicContact CE-CE2 3.92Å; M330-Y599 HydrophobicContact CE-CG 3.65Å; M330-Y599 HydrophobicContact SD-CD2 4.07Å; E333-Y599 PolarHBondContact OE1-OH 3.25Å; V574-Y599 HydrophobicContact CB-CD2 4.41Å; V574-Y599 HydrophobicContact CB-CE1 4.3Å; V574-Y599 HydrophobicContact CB-CE2 3.76Å; V574-Y599 HydrophobicContact CG1-CD2 4.15Å; V574-Y599 HydrophobicContact CG1-CE2 3.82Å; V574-Y599 HydrophobicContact CG2-CD1 4.09Å; V574-Y599 HydrophobicContact CG2-CD2 4.28Å; V574-Y599 HydrophobicContact CG2-CE1 3.7Å; V574-Y599 HydrophobicContact CG2-CE2 3.93Å; V574-Y599 HydrophobicContact CG2-CG 4.37Å; Y595-Y599 HydrophobicContact CD1-CD2 4.44Å; Y595-Y599 HydrophobicContact CD1-CE2 4.27Å; Y595-Y599 HydrophobicContact CE1-CD2 4.2Å; Y595-Y599 AromaticContact CE1-CE2 3.6Å; Y595-Y599 HydrophobicContact CE1-CE2 3.6Å; Y595-Y599 AromaticContact CZ-CE2 3.85Å; Q596-Y599 PolarHBondContact O-N 3.43Å; Y599-A601 VanDerWaalsContact C-N 3.29Å; Y599-A601 PolarHBondContact O-N 3.19Å; Y599-L602 PolarHBondContact O-N 3.2Å; Y599-E603 WeakPolarHBondContact O-CB 3.48Å; Y599-E603 PolarHBondContact O-N 3.46Å
600	K	96.9	Very high	92.8	Very high	103 Å²	103	44.6 Å²	44.6	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-37.2	177.3	-168.7	-176.1	168	-169.2	0	111.9	D516 P518 Q596 F597 L598 G604	D516-K600 PolarHBondContact O-NZ 2.95Å; P518-K600 HydrophobicContact CG-CB 4.14Å; P518-K600 HydrophobicContact CG-CD 3.64Å; P518-K600 HydrophobicContact CG-CG 3.81Å; Q596-K600 PolarHBondContact O-N 3.24Å; F597-K600 PolarHBondContact O-N 3.42Å; L598-K600 PolarHBondContact O-N 2.81Å; K600-G604 PolarHBondContact O-N 3.45Å; K600-G604 VanDerWaalsContact O-N 3.16Å
601	A	97.6	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-43.8	174.9	0	0	0	0	0	112.1	P518 V522 L559 F597 L598 Y599 G604 A605	P518-A601 HydrophobicContact CB-CB 3.72Å; V522-A601 HydrophobicContact CG2-CB 3.89Å; L559-A601 HydrophobicContact CD1-CB 4.16Å; L559-A601 HydrophobicContact CD2-CB 3.43Å; L559-A601 VanDerWaalsContact CD2-CB 3.43Å; L559-A601 HydrophobicContact CG-CB 4.45Å; F597-A601 WeakPolarHBondContact O-CB 3.47Å; F597-A601 PolarHBondContact O-N 3.03Å; L598-A601 WeakPolarHBondContact O-CB 3.49Å; L598-A601 PolarHBondContact O-N 3.45Å; Y599-A601 VanDerWaalsContact C-N 3.29Å; Y599-A601 PolarHBondContact O-N 3.19Å; A601-G604 PolarHBondContact O-N 3.35Å; A601-A605 VanDerWaalsContact O-CB 3.26Å; A601-A605 WeakPolarHBondContact O-CB 3.46Å; A601-A605 PolarHBondContact O-N 3.23Å
602	L	96.9	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-43.7	176.5	-71.3	175.4	0	0	0	112.3	L311 L562 V572 V574 L598 Y599 G604 A605 F606	L311-L602 HydrophobicContact CD2-CB 4.28Å; L562-L602 HydrophobicContact CB-CD1 4.38Å; L562-L602 HydrophobicContact CB-CD2 4.04Å; L562-L602 HydrophobicContact CD1-CD1 4.1Å; L562-L602 HydrophobicContact CD2-CD1 4.45Å; V572-L602 HydrophobicContact CB-CD1 4.1Å; V572-L602 HydrophobicContact CG1-CD1 4.14Å; V572-L602 HydrophobicContact CG1-CD2 4.16Å; V572-L602 HydrophobicContact CG2-CD1 4.15Å; V574-L602 HydrophobicContact CG2-CD1 3.69Å; L598-L602 WeakPolarHBondContact O-CG 3.32Å; L598-L602 PolarHBondContact O-N 3.31Å; Y599-L602 PolarHBondContact O-N 3.2Å; L602-G604 VanDerWaalsContact C-N 3.28Å; L602-G604 PolarHBondContact O-N 2.7Å; L602-A605 PolarHBondContact O-N 3.28Å; L602-F606 HydrophobicContact CD2-CD2 4.39Å; L602-F606 HydrophobicContact CD2-CE2 4.12Å; L602-F606 WeakPolarHBondContact O-CD2 3.4Å; L602-F606 PolarHBondContact O-N 3.42Å
603	E	94.6	Very high	88.3	Confident	54 Å²	54	48 Å²	48	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-55.5	-43.7	175.2	-174.7	175.7	-142.1	0	0	111.6	H312 L315 K319 Y599	H312-E603 PolarHBondContact CE1-O 3.35Å; L315-E603 HydrophobicContact CD2-CB 3.68Å; L315-E603 HydrophobicContact CD2-CG 3.8Å; L315-E603 WeakPolarHBondContact CD2-OE1 3.39Å; L315-E603 WeakPolarHBondContact CD2-OE2 3.19Å; K319-E603 IonicContact NZ-OE1 3.31Å; K319-E603 PolarHBondContact NZ-OE1 2.95Å; K319-E603 IonicContact NZ-OE2 2.83Å; K319-E603 PolarHBondContact NZ-OE2 2.82Å; Y599-E603 WeakPolarHBondContact O-CB 3.48Å; Y599-E603 PolarHBondContact O-N 3.46Å
604	G	93.9	Very high	87	Confident	33 Å²	33	46.9 Å²	46.9	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-36.9	175.7	0	0	0	0	0	114.1	Q519 K600 A601 L602 F606 V616	Q519-G604 VanDerWaalsContact OE1-C 3.26Å; Q519-G604 PolarHBondContact OE1-O 2.63Å; K600-G604 PolarHBondContact O-N 3.45Å; K600-G604 VanDerWaalsContact O-N 3.16Å; A601-G604 PolarHBondContact O-N 3.35Å; L602-G604 VanDerWaalsContact C-N 3.28Å; L602-G604 PolarHBondContact O-N 2.7Å; G604-F606 VanDerWaalsContact C-N 3.3Å; G604-F606 PolarHBondContact O-N 2.82Å; G604-V616 WeakPolarHBondContact O-CG2 3.34Å
605	A	94.4	Very high	85.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.6	-27.1	-178.8	0	0	0	0	0	113.2	V522 L563 A601 L602 V616	V522-A605 HydrophobicContact CG1-CB 3.94Å; L563-A605 HydrophobicContact CD2-CB 4.29Å; A601-A605 VanDerWaalsContact O-CB 3.26Å; A601-A605 WeakPolarHBondContact O-CB 3.46Å; A601-A605 PolarHBondContact O-N 3.23Å; L602-A605 PolarHBondContact O-N 3.28Å; A605-V616 PolarHBondContact O-N 2.58Å
606	F	93.7	Very high	84.5	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.018	29%	0.291	C	S	.	.	S	Bend	trans	-131.2	69.1	-175.6	-60.4	-80	0	0	0	111.7	L308 L311 H312 L563 A566 L602 G604 V613 P615	L308-F606 HydrophobicContact CD1-CD1 4Å; L308-F606 HydrophobicContact CD1-CE1 4.03Å; L308-F606 HydrophobicContact CD2-CD1 4.45Å; L308-F606 HydrophobicContact CD2-CD2 4.19Å; L308-F606 HydrophobicContact CD2-CG 4.16Å; L311-F606 HydrophobicContact CD2-CB 4.33Å; H312-F606 PolarHBondContact NE2-O 3.23Å; L563-F606 HydrophobicContact CD2-CE2 4.02Å; L563-F606 HydrophobicContact CD2-CZ 4.28Å; A566-F606 HydrophobicContact CB-CE1 4.11Å; A566-F606 HydrophobicContact CB-CE2 3.57Å; A566-F606 HydrophobicContact CB-CZ 3.32Å; L602-F606 HydrophobicContact CD2-CD2 4.39Å; L602-F606 HydrophobicContact CD2-CE2 4.12Å; L602-F606 WeakPolarHBondContact O-CD2 3.4Å; L602-F606 PolarHBondContact O-N 3.42Å; G604-F606 VanDerWaalsContact C-N 3.3Å; G604-F606 PolarHBondContact O-N 2.82Å; F606-V613 HydrophobicContact CB-CG1 3.65Å; F606-V613 WeakPolarHBondContact O-CG1 3.19Å; F606-P615 HydrophobicContact CD1-CB 4.1Å; F606-P615 HydrophobicContact CE1-CB 3.91Å
607	P	88.9	Confident	82.6	Confident	34 Å²	34	56.8 Å²	56.8	22%	0.221	31%	0.313	C	S	.	.			trans	-69.7	155.3	179.3	29.6	-37.1	0	0	0	112.9	Q609 K614 V616	P607-Q609 PolarHBondContact O-N 3.06Å; P607-K614 VanDerWaalsContact CD-O 3.31Å; P607-K614 WeakPolarHBondContact CD-O 3.04Å; P607-K614 PolarHBondContact O-N 3.1Å; P607-K614 VanDerWaalsContact O-N 3.14Å; P607-V616 VanDerWaalsContact CD-CG2 3.43Å; P607-V616 HydrophobicContact CG-CG2 3.73Å
608	V	82.8	Confident	80	Confident	75 Å²	75	58.6 Å²	58.6	46%	0.455	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121	168.6	-173.1	0	0	0	0	109.6	H312 V613	H312-V608 HydrophobicContact CB-CG2 3.93Å; H312-V608 WeakPolarHBondContact CD2-CG2 3.39Å; H312-V608 VanDerWaalsContact CG-CG2 3.49Å; V608-V613 HydrophobicContact CG2-CG2 4.09Å
609	Q	68.6	Low	76.9	Confident	99 Å²	99	64.7 Å²	64.7	46%	0.463	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.1	172.9	-65.8	-175.5	-5.2	0	0	109.6	P607 G611 E612	P607-Q609 PolarHBondContact O-N 3.06Å; Q609-G611 PolarHBondContact O-N 2.91Å; Q609-E612 PolarHBondContact N-O 3.35Å; Q609-E612 PolarHBondContact O-N 3.23Å; Q609-E612 VanDerWaalsContact O-N 3.09Å; Q609-E612 VanDerWaalsContact O-O 3.04Å
610	N	62.9	Low	73.9	Confident	168 Å²	168	70.9 Å²	70.9	90%	0.898	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.9	-177.6	-59.2	-21.6	0	0	0	114.6	E612	N610-E612 VanDerWaalsContact C-N 3.29Å; N610-E612 PolarHBondContact O-N 3.42Å
611	G	63.1	Low	71	Confident	72 Å²	72	69.8 Å²	69.8	74%	0.742	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-1.3	-177.8	0	0	0	0	0	114.9	Q609	Q609-G611 PolarHBondContact O-N 2.91Å
612	E	63.7	Low	67.8	Low	115 Å²	115	73.7 Å²	73.7	54%	0.537	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.3	173.9	-66.5	179	162.4	0	0	110.6	Q609 N610 K614	Q609-E612 PolarHBondContact N-O 3.35Å; Q609-E612 PolarHBondContact O-N 3.23Å; Q609-E612 VanDerWaalsContact O-N 3.09Å; Q609-E612 VanDerWaalsContact O-O 3.04Å; N610-E612 VanDerWaalsContact C-N 3.29Å; N610-E612 PolarHBondContact O-N 3.42Å; E612-K614 WeakPolarHBondContact OE2-CE 3.31Å; E612-K614 IonicContact OE2-NZ 3.29Å; E612-K614 PolarHBondContact OE2-NZ 3.46Å
613	V	69.5	Low	64.7	Low	35 Å²	35	79 Å²	79	21%	0.212	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123	173.7	173.3	0	0	0	0	109.7	L308 F606 V608	L308-V613 HydrophobicContact CB-CG1 4.27Å; L308-V613 VanDerWaalsContact O-CB 3.29Å; L308-V613 WeakPolarHBondContact O-CB 3.49Å; L308-V613 WeakPolarHBondContact O-CG1 3.29Å; L308-V613 WeakPolarHBondContact O-CG2 3.46Å; F606-V613 HydrophobicContact CB-CG1 3.65Å; F606-V613 WeakPolarHBondContact O-CG1 3.19Å; V608-V613 HydrophobicContact CG2-CG2 4.09Å
614	K	70.7	Confident	61.6	Low	81 Å²	81	82 Å²	82	35%	0.352	50%	0.495	S	S	.	.			trans	-127.2	140.7	-177.4	-68.9	-173.2	177.5	168	0	111.9	P607 E612	P607-K614 VanDerWaalsContact CD-O 3.31Å; P607-K614 WeakPolarHBondContact CD-O 3.04Å; P607-K614 PolarHBondContact O-N 3.1Å; P607-K614 VanDerWaalsContact O-N 3.14Å; E612-K614 WeakPolarHBondContact OE2-CE 3.31Å; E612-K614 IonicContact OE2-NZ 3.29Å; E612-K614 PolarHBondContact OE2-NZ 3.46Å
615	P	71.2	Confident	58.6	Low	75 Å²	75	88.6 Å²	88.6	49%	0.487	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-65.1	137.4	174.6	26.6	-33.1	0	0	0	110.7	F606 K617	F606-P615 HydrophobicContact CD1-CB 4.1Å; F606-P615 HydrophobicContact CE1-CB 3.91Å; P615-K617 PolarHBondContact O-N 2.79Å
616	V	72.3	Confident	55.5	Low	47 Å²	47	95 Å²	95	29%	0.285	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-66.4	117.3	170.4	-177.8	0	0	0	0	109.3	K526 G604 A605 P607	K526-V616 PolarHBondContact NZ-O 3.49Å; K526-V616 VanDerWaalsContact NZ-O 3.08Å; G604-V616 WeakPolarHBondContact O-CG2 3.34Å; A605-V616 PolarHBondContact O-N 2.58Å; P607-V616 VanDerWaalsContact CD-CG2 3.43Å; P607-V616 HydrophobicContact CG-CG2 3.73Å
617	K	57.7	Low	52.4	Low	189 Å²	189	99.7 Å²	99.7	82%	0.822	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-70.1	128.2	168	-66.6	-175.5	179.7	-177.9	0	108.2	P615 T619	P615-K617 PolarHBondContact O-N 2.79Å; K617-T619 PolarHBondContact O-N 3.17Å
618	S	44	Very low	49.5	Very low	45 Å²	45	105.1 Å²	105.1	32%	0.315	61%	0.605	S	S	.	*			trans	-60.2	112	-178.3	86.4	0	0	0	0	109.8	R530 T620	R530-S618 PolarHBondContact NH1-OG 3.25Å; S618-T620 PolarHBondContact O-N 2.73Å
619	T	33.7	Very low	47	Very low	129 Å²	129	109 Å²	109	79%	0.791	62%	0.618	S	S	*	*			trans	-66.8	111.1	160.7	28.9	0	0	0	0	106.9	K617 V621	K617-T619 PolarHBondContact O-N 3.17Å; T619-V621 PolarHBondContact O-N 2.92Å
620	T	34.2	Very low	45.2	Very low	131 Å²	131	110.3 Å²	110.3	80%	0.804	63%	0.634	S	S	*	*			trans	-37.4	122.5	169	41	0	0	0	0	110.8	S618 A622	S618-T620 PolarHBondContact O-N 2.73Å; T620-A622 PolarHBondContact O-N 2.95Å
621	V	37	Very low	43.7	Very low	80 Å²	80	112.1 Å²	112.1	49%	0.485	63%	0.633	S	S	.	*			trans	-60.2	126.1	173	-176.1	0	0	0	0	108	P481 T619	P481-V621 HydrophobicContact CG-CG1 4.43Å; T619-V621 PolarHBondContact O-N 2.92Å
622	A	30.3	Very low	41.9	Very low	81 Å²	81	114 Å²	114	67%	0.669	64%	0.642	S	S	*	*	S	Bend	trans	-63.6	143.6	-178	0	0	0	0	0	112.2	T620	T620-A622 PolarHBondContact O-N 2.95Å
623	S	31.5	Very low	40.1	Very low	111 Å²	111	111.9 Å²	111.9	78%	0.776	65%	0.651	S	S	*	*			trans	50.5	97.4	168.5	51.9	0	0	0	0	117	E625	S623-E625 PolarHBondContact O-N 2.75Å
624	V	28.9	Very low	38.1	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.715	69%	0.685	S	S	*	*			trans	-72.5	110.4	164.8	-177.9	0	0	0	0	108.8	I626	V624-I626 HydrophobicContact CG1-CG1 3.73Å; V624-I626 PolarHBondContact O-N 3.45Å
625	E	30.9	Very low	36	Very low	171 Å²	171	120.3 Å²	120.3	80%	0.799	71%	0.705	S	S	*	*			trans	-82.4	104.4	161.4	-79.7	-173.9	163.5	0	0	108.7	S623 V627	S623-E625 PolarHBondContact O-N 2.75Å; E625-V627 PolarHBondContact O-N 3.4Å
626	I	31.1	Very low	33.8	Very low	136 Å²	136	126 Å²	126	70%	0.697	73%	0.725	S	S	*	*			trans	-81.3	96.1	169.5	-56	174.7	0	0	0	107	V624 N628	V624-I626 HydrophobicContact CG1-CG1 3.73Å; V624-I626 PolarHBondContact O-N 3.45Å; I626-N628 PolarHBondContact O-N 3.28Å
627	V	27.7	Very low	31.5	Very low	101 Å²	101	128.4 Å²	128.4	61%	0.612	75%	0.75	S	S	*	*			trans	-83.8	92.2	171.9	-175.9	0	0	0	0	108.9	E625 E629	E625-V627 PolarHBondContact O-N 3.4Å; V627-E629 HydrophobicContact CG1-CB 4.41Å; V627-E629 HydrophobicContact CG1-CG 3.76Å; V627-E629 PolarHBondContact O-N 2.89Å
628	N	28.1	Very low	30	Very low	148 Å²	148	127.2 Å²	127.2	79%	0.791	75%	0.753	S	S	*	*			trans	-88.6	86	163.4	-91.5	-11.8	0	0	0	109.1	I626 T630	I626-N628 PolarHBondContact O-N 3.28Å; N628-T630 PolarHBondContact O-N 3.17Å
629	E	30.9	Very low	29	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	78%	0.776	S	S	*	*			trans	-87.9	98.4	168	-82.7	-177.1	172.8	0	0	110.1	V627	V627-E629 HydrophobicContact CG1-CB 4.41Å; V627-E629 HydrophobicContact CG1-CG 3.76Å; V627-E629 PolarHBondContact O-N 2.89Å
630	T	29.2	Very low	28.6	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	78%	0.779	S	S	*	*			trans	-141.2	121.5	152.5	-16.9	0	0	0	0	109.2	N628	N628-T630 PolarHBondContact O-N 3.17Å
631	K	32.3	Very low	28.2	Very low	206 Å²	206	139.3 Å²	139.3	90%	0.896	78%	0.783	S	S	*	*			trans	86.2	79.9	170.6	-55.1	-171.9	177.4	-173.8	0	117.5
632	A	25.4	Very low	27.6	Very low	112 Å²	112	143.9 Å²	143.9	93%	0.926	80%	0.8	S	S	*	*			trans	-119.3	105.6	142.2	0	0	0	0	0	107.8
633	G	26.3	Very low	27.4	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	80%	0.804	S	S	*	*			trans	158.5	66.8	-179.3	0	0	0	0	0	111.7
634	E	26.7	Very low	27.1	Very low	199 Å²	199	152.6 Å²	152.6	93%	0.93	81%	0.808	S	S	*	*			trans	173.3	100.5	144.4	-96.1	167.8	-163.8	0	0	108
635	A	26.6	Very low	27.1	Very low	93 Å²	93	150.7 Å²	150.7	77%	0.769	81%	0.805	S	S	*	*			trans	-92.6	150.1	163.2	0	0	0	0	0	108.6
636	E	25.6	Very low	26.9	Very low	194 Å²	194	150.9 Å²	150.9	91%	0.907	81%	0.806	S	S	*	*			trans	89	70.3	159.9	-54.6	-167.6	150.1	0	0	119.2
637	A	24.8	Very low	26.6	Very low	99 Å²	99	152.8 Å²	152.8	82%	0.818	81%	0.812	S	S	*	*			trans	-174.2	124.2	132.5	0	0	0	0	0	104.7
638	D	24.5	Very low	26.5	Very low	163 Å²	163	153.3 Å²	153.3	87%	0.872	82%	0.82	S	S	*	*			cis	-163.1	145.6	38.7	-139.3	-20	0	0	0	107.2
639	K	24.1	Very low	26.4	Very low	186 Å²	186	150.5 Å²	150.5	81%	0.809	82%	0.817	S	S	*	*			trans	-77.3	155.2	170.5	-76.4	177	174	173	0	109.1
640	Q	24.2	Very low	26.2	Very low	181 Å²	181	148 Å²	148	85%	0.846	82%	0.817	S	S	*	*			trans	91	97.6	159.6	-52.1	175.8	2.3	0	0	116.5
641	Q	26.4	Very low	25.9	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	81%	0.813	S	S	*	*				-170	109.3	102.1	-103.6	171.9	-1	0	0	111
642	E	24.4	Very low	25.6	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.822	81%	0.806	S	S	*	*			trans	-64.9	142.1	158.6	-65.4	173.9	132.2	0	0	110.4
643	K	25.4	Very low	25.6	Very low	176 Å²	176	142.9 Å²	142.9	77%	0.765	80%	0.796	S	S	*	*				175.8	115.8	109	-95.5	171.6	-177	178.6	0	108.8
644	K	25.8	Very low	25.6	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	80%	0.795	S	S	*	*				66.8	132.3	101.8	-81	-168	173.3	-167.4	0	111.5
645	A	27.8	Very low	25.6	Very low	78 Å²	78	141.2 Å²	141.2	65%	0.645	79%	0.785	S	S	*	*			cis	-173	173.4	18.2	0	0	0	0	0	103.6
646	E	26.8	Very low	25.6	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	78%	0.784	S	S	*	*			cis	-172.7	144.1	19.1	-128.8	149.6	-150.6	0	0	105.3
647	E	25.5	Very low	25.7	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	78%	0.779	S	S	*	*			trans	1.8	137.3	138.1	-67	175.6	160.4	0	0	117.7
648	S	26	Very low	25.8	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	78%	0.78	S	S	*	*				166.3	126.9	71.6	40.2	0	0	0	0	107.1
649	A	26.7	Very low	25.9	Very low	89 Å²	89	145.1 Å²	145.1	74%	0.736	78%	0.782	S	S	*	*				76.8	127.4	98.2	0	0	0	0	0	117.2
650	S	25.1	Very low	26	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	78%	0.779	S	S	*	*			trans	73.7	149.5	143.7	80.1	0	0	0	0	117
651	T	24.5	Very low	26.2	Very low	112 Å²	112	140.9 Å²	140.9	69%	0.687	78%	0.781	S	S	*	*			cis	-174.5	150	-2.6	14	0	0	0	0	107.2
652	T	25.2	Very low	26.3	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	77%	0.772	S	S	*	*			trans	59.8	135	142.4	56.8	0	0	0	0	124.6
653	S	25.5	Very low	26.4	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	77%	0.771	S	S	*	*				107.7	111	129.7	70.7	0	0	0	0	120.4
654	S	25.2	Very low	27.3	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	77%	0.768	S	S	*	*			trans	7.7	138.4	136.1	58.8	0	0	0	0	119.3
655	N	26.7	Very low	27.4	Very low	134 Å²	134	127.4 Å²	127.4	72%	0.717	76%	0.764	S	S	*	*				171.5	157.8	82.7	-124.9	-7	0	0	0	112.3
656	Q	28.1	Very low	27.3	Very low	161 Å²	161	130 Å²	130	75%	0.752	77%	0.772	S	S	*	*			trans	70.7	150.5	152.2	-69.7	169.6	10.2	0	0	119.1
657	Q	26.3	Very low	27.4	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.804	77%	0.768	S	S	*	*			cis	155.6	128.9	-13	178.4	174.8	22.3	0	0	103.5
658	A	27.3	Very low	27.5	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	77%	0.771	S	S	*	*			trans	175.3	127.6	148.9	0	0	0	0	0	112.7
659	E	27.1	Very low	27.6	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	78%	0.776	S	S	*	*			trans	-86.8	160.9	165.2	-68.5	169.3	129.3	0	0	112
660	A	26.7	Very low	27.6	Very low	89 Å²	89	132 Å²	132	74%	0.736	78%	0.783	S	S	*	*			trans	166.1	118.2	136.7	0	0	0	0	0	108.7
661	E	28.3	Very low	27.8	Very low	190 Å²	190	136 Å²	136	89%	0.888	79%	0.787	S	S	*	*				51.2	138.6	93.5	-76.3	-168.6	162.1	0	0	114.1
662	S	28.2	Very low	27.9	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	80%	0.796	S	S	*	*			cis	-176.4	145.6	9.2	42.9	0	0	0	0	108.6
663	A	27.1	Very low	28	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	80%	0.801	S	S	*	*			trans	39.2	173.5	140.7	0	0	0	0	0	123.4
664	P	42.9	Very low	28.1	Very low	108 Å²	108	146.7 Å²	146.7	70%	0.701	80%	0.804	S	S	*	*			cis	-142.8	-167.3	-20.8	28	-1.5	0	0	0	116.4
665	L	27.5	Very low	28.2	Very low	153 Å²	153	150.3 Å²	150.3	80%	0.801	81%	0.809	S	S	*	*			trans	91	118.6	152.9	-59.5	170.7	0	0	0	118.2
666	V	27.5	Very low	28	Very low	134 Å²	134	153.5 Å²	153.5	81%	0.812	82%	0.82	S	S	*	*				104.9	125.6	51.4	167	0	0	0	0	112.1
667	A	27.3	Very low	28	Very low	87 Å²	87	154.6 Å²	154.6	72%	0.719	83%	0.825	S	S	*	*			trans	159.8	107	141.1	0	0	0	0	0	110.2
668	E	27.6	Very low	28.5	Very low	189 Å²	189	152 Å²	152	88%	0.883	82%	0.823	S	S	*	*				70.4	116.5	94	-84.2	-170.9	179.1	0	0	117.1
669	S	28.3	Very low	28.5	Very low	128 Å²	128	152 Å²	152	90%	0.895	82%	0.824	S	S	*	*				-170	133.4	125.9	34.1	0	0	0	0	112
670	E	27.9	Very low	28.5	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	82%	0.822	S	S	*	*			trans	-80.5	154.8	178.9	-57.5	172.3	130.8	0	0	112.5
671	K	28.4	Very low	28.4	Very low	189 Å²	189	157.5 Å²	157.5	82%	0.822	83%	0.831	S	S	*	*				-171.3	112.4	127.2	-108.4	176.7	-179.8	-177	0	114.6
672	E	27.8	Very low	28.3	Very low	185 Å²	185	155 Å²	155	86%	0.864	83%	0.829	S	S	*	*				58	141.3	130	-68.9	-176.4	141.7	0	0	124.9
673	K	26.8	Very low	28.2	Very low	198 Å²	198	156 Å²	156	86%	0.861	84%	0.836	S	S	*	*			trans	-88.7	160.3	-174.3	-66.5	168.8	167.2	177.7	0	114
674	K	27.1	Very low	28.1	Very low	178 Å²	178	156.1 Å²	156.1	77%	0.774	84%	0.837	S	S	*	*				160.2	119.3	115.4	-90.1	-175.9	174.3	-172.4	0	110.2
675	E	26.6	Very low	27.2	Very low	175 Å²	175	159.1 Å²	159.1	82%	0.818	85%	0.846	S	S	*	*				62.4	111.1	94.2	-90.4	-178.4	176.4	0	0	114.9
676	E	24.1	Very low	27.1	Very low	201 Å²	201	161.4 Å²	161.4	94%	0.939	85%	0.849	S	S	*	*			trans	-167.4	121.6	139.2	-110.9	175.9	-172.2	0	0	111.6
677	E	26.6	Very low	27.1	Very low	184 Å²	184	164.5 Å²	164.5	86%	0.86	86%	0.855	S	S	*	*			trans	-105.4	178.1	154.6	-86.7	-164.6	157.6	0	0	107.3
678	P	38.2	Very low	26.9	Very low	117 Å²	117	165.6 Å²	165.6	76%	0.76	86%	0.857	S	S	*	*				-125.6	164.2	-62.2	35	-17.7	0	0	0	110.7
679	A	26.4	Very low	26.8	Very low	103 Å²	103	163.1 Å²	163.1	85%	0.851	86%	0.855	S	S	*	*			trans	-119.2	120.4	169.5	0	0	0	0	0	111.3
680	K	26.4	Very low	26.6	Very low	204 Å²	204	162.8 Å²	162.8	89%	0.887	85%	0.85	S	S	*	*			trans	-61.7	131.8	169.3	-75.3	169.9	171.1	173	0	110.6
681	E	25.6	Very low	26.4	Very low	197 Å²	197	162.7 Å²	162.7	92%	0.921	85%	0.85	S	S	*	*			trans	-128.9	122.9	147.6	-81.8	-167.2	160.4	0	0	111
682	T	25.4	Very low	26.3	Very low	137 Å²	137	162.7 Å²	162.7	84%	0.84	85%	0.853	S	S	*	*			trans	-77.1	131.3	169.6	41.4	0	0	0	0	110.1
683	S	26.7	Very low	26.1	Very low	124 Å²	124	163 Å²	163	87%	0.867	85%	0.854	S	S	*	*			trans	-154.3	145.6	145.3	59.8	0	0	0	0	112.7
684	A	25.8	Very low	26	Very low	98 Å²	98	159.4 Å²	159.4	81%	0.81	85%	0.849	S	S	*	*			trans	-60.1	142.6	-164.8	0	0	0	0	0	116.4
685	L	23.6	Very low	25.8	Very low	171 Å²	171	156.5 Å²	156.5	90%	0.895	85%	0.851	S	S	*	*			trans	-55.9	132.2	157.9	-75.6	134.2	0	0	0	111.4
686	K	25.4	Very low	26	Very low	201 Å²	201	154.9 Å²	154.9	87%	0.874	85%	0.848	S	S	*	*			trans	-120.2	121.5	149.9	-87.9	-175.7	175.7	179.4	0	107.9
687	E	26.3	Very low	26.1	Very low	199 Å²	199	148 Å²	148	93%	0.93	83%	0.831	S	S	*	*			trans	-61.2	127.8	169.4	-71	169.2	140.8	0	0	109.9
688	S	24.6	Very low	26.1	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	83%	0.826	S	S	*	*			trans	-136.4	107.9	159.1	59.8	0	0	0	0	108.5
689	T	24.6	Very low	25.8	Very low	137 Å²	137	144.6 Å²	144.6	84%	0.84	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-53.4	130	164.9	-7.7	0	0	0	0	110.2
690	P	24.9	Very low	25.9	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.4	124.4	166	-4.8	23.2	0	0	0	109.2
691	Q	23.8	Very low	26.1	Very low	188 Å²	188	138 Å²	138	88%	0.879	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.4	140.4	166.2	-72.7	175.6	-79.9	0	0	109.3	E693	Q691-E693 PolarHBondContact O-N 2.94Å
692	E	25.5	Very low	26.5	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	76%	0.757	S	S	*	*			trans	-66.5	115.7	172.1	-68.8	170.5	153.4	0	0	109.3
693	E	22.8	Very low	26.7	Very low	193 Å²	193	130 Å²	130	90%	0.902	75%	0.745	S	S	*	*			trans	-102.1	107.3	161	-78.2	-173.8	168.4	0	0	108.1	Q691 S695	Q691-E693 PolarHBondContact O-N 2.94Å; E693-S695 PolarHBondContact O-N 3.49Å
694	T	25.6	Very low	27	Very low	122 Å²	122	129.9 Å²	129.9	75%	0.748	74%	0.739	S	S	*	*			trans	-84.1	102.3	172.4	48.5	0	0	0	0	108.9
695	S	23.7	Very low	27	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	74%	0.735	S	S	*	*			trans	-92	98.6	162.4	-179.7	0	0	0	0	108.4	E693	E693-S695 PolarHBondContact O-N 3.49Å
696	N	30.8	Very low	27.2	Very low	141 Å²	141	129.4 Å²	129.4	75%	0.754	73%	0.727	S	S	*	*			trans	-110	116.2	168.3	-82.5	-25.1	0	0	0	107.9
697	G	25.2	Very low	27.3	Very low	57 Å²	57	125.4 Å²	125.4	59%	0.588	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.2	155.7	170.1	0	0	0	0	0	112.4
698	P	27.5	Very low	27.4	Very low	117 Å²	117	121.1 Å²	121.1	76%	0.76	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.7	-170.9	29.6	-32.9	0	0	0	112.3
699	T	31.5	Very low	27.5	Very low	113 Å²	113	121.8 Å²	121.8	69%	0.693	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-72.7	130.2	178.9	-48.7	0	0	0	0	111.3
700	V	28.5	Very low	27.7	Very low	54 Å²	54	120.7 Å²	120.7	33%	0.327	69%	0.693	S	S	.	*			trans	-119	133.4	163.8	-170	0	0	0	0	110.6	N342 V702	N342-V700 HydrophobicContact CB-CG1 4.38Å; N342-V700 WeakPolarHBondContact O-CG1 3.21Å; V700-V702 PolarHBondContact O-N 2.96Å
701	T	31.3	Very low	28	Very low	114 Å²	114	120.7 Å²	120.7	70%	0.699	69%	0.686	S	S	*	*			trans	-59.8	122	178.6	41.8	0	0	0	0	112.3	E703	T701-E703 PolarHBondContact O-N 3.11Å
702	V	32.4	Very low	28.3	Very low	41 Å²	41	115.5 Å²	115.5	25%	0.248	67%	0.671	C	S	.	*			trans	-77.2	113.5	161.5	-179.2	0	0	0	0	107.7	P338 W343 V700 V704	P338-V702 HydrophobicContact CB-CG1 4.39Å; W343-V702 HydrophobicContact CE3-CG2 4.02Å; W343-V702 HydrophobicContact CZ3-CG2 4.08Å; V700-V702 PolarHBondContact O-N 2.96Å; V702-V704 HydrophobicContact CG1-CG2 3.98Å; V702-V704 PolarHBondContact O-N 3.12Å
703	E	29.7	Very low	28.5	Very low	125 Å²	125	109.5 Å²	109.5	58%	0.584	65%	0.654	S	S	*	*			trans	-71.3	104.7	160.1	-75.1	-174.8	167.6	0	0	106.9	T701	T701-E703 PolarHBondContact O-N 3.11Å
704	V	33	Very low	29	Very low	121 Å²	121	101.9 Å²	101.9	73%	0.733	63%	0.632	S	S	*	*			trans	-84.2	0	166.8	-180	0	0	0	0	107.2	L25 V702	L25-V704 HydrophobicContact CD2-CB 4.47Å; L25-V704 HydrophobicContact CD2-CG2 4.41Å; V702-V704 HydrophobicContact CG1-CG2 3.98Å; V702-V704 PolarHBondContact O-N 3.12Å

Retrieved 704 of 704 residues in 145 ms (Link to these results)

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