A0A3Q0KSS8_SCHMA Loading...

Steroid dehydrogenase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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	57.1	Low	74.2	Confident	207 Å²	207	117.9 Å²	117.9	100%	1.02	60%	0.604	S	S	*	*				0	-28.4	0	-79.4	176.4	167.6	0	0	114.2	S4	M1-S4 PolarHBondContact O-OG 3.36Å
2	N	67.7	Low	74.6	Confident	130 Å²	130	112 Å²	112	70%	0.695	58%	0.578	S	S	*	*	H	α-helix	trans	-65.6	-43.8	178.7	-94.7	-0.4	0	0	0	114.5	S4 N5 Q6	N2-S4 VanDerWaalsContact C-N 3.28Å; N2-S4 PolarHBondContact O-N 2.95Å; N2-N5 PolarHBondContact O-N 3.05Å; N2-Q6 PolarHBondContact O-N 3.06Å
3	N	70.4	Confident	74.9	Confident	145 Å²	145	109.8 Å²	109.8	78%	0.775	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-32.3	-178.4	-80	-8.6	0	0	0	113.6	S7	N3-S7 PolarHBondContact O-N 2.59Å; N3-S7 VanDerWaalsContact O-N 3.08Å
4	S	73	Confident	75.1	Confident	65 Å²	65	110.7 Å²	110.7	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-73.5	-37.5	-179.9	48.9	0	0	0	0	113.1	M1 N2 S7 Y8	M1-S4 PolarHBondContact O-OG 3.36Å; N2-S4 VanDerWaalsContact C-N 3.28Å; N2-S4 PolarHBondContact O-N 2.95Å; S4-S7 PolarHBondContact O-OG 3.21Å; S4-Y8 PolarHBondContact O-N 3.36Å; S4-Y8 VanDerWaalsContact O-N 3.13Å
5	N	75.3	Confident	75.1	Confident	106 Å²	106	107.7 Å²	107.7	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-39.5	176	-82	-7.3	0	0	0	111.4	N2 S7 Y8 I9	N2-N5 PolarHBondContact O-N 3.05Å; N5-S7 VanDerWaalsContact C-N 3.35Å; N5-Y8 PolarHBondContact O-N 2.6Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.45Å
6	Q	76.1	Confident	75.1	Confident	125 Å²	125	109.1 Å²	109.1	58%	0.584	56%	0.562	S	S	*	*	H	α-helix	trans	-66.4	-38	178.1	-149.5	128.7	-0.9	0	0	111.6	N2 N10	N2-Q6 PolarHBondContact O-N 3.06Å; Q6-N10 WeakPolarHBondContact O-CB 3.38Å; Q6-N10 VanDerWaalsContact O-CG 3.27Å; Q6-N10 PolarHBondContact O-N 2.74Å; Q6-N10 VanDerWaalsContact O-N 3.07Å; Q6-N10 PolarHBondContact O-ND2 3.19Å
7	S	78.6	Confident	75.1	Confident	57 Å²	57	109.3 Å²	109.3	40%	0.399	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-39.8	174.3	78.5	0	0	0	0	112.2	N3 S4 N5 N10 Q11	N3-S7 PolarHBondContact O-N 2.59Å; N3-S7 VanDerWaalsContact O-N 3.08Å; S4-S7 PolarHBondContact O-OG 3.21Å; N5-S7 VanDerWaalsContact C-N 3.35Å; S7-N10 PolarHBondContact O-N 3.01Å; S7-Q11 WeakPolarHBondContact O-CB 3.35Å; S7-Q11 WeakPolarHBondContact O-CG 3.42Å; S7-Q11 PolarHBondContact O-N 3.42Å
8	Y	78.3	Confident	75.4	Confident	154 Å²	154	108.8 Å²	108.8	60%	0.604	56%	0.562	S	S	*	*	H	α-helix	trans	-66.5	-43.4	178.7	-176.4	-96.9	0	0	0	112.9	S4 N5 Q11 T12	S4-Y8 PolarHBondContact O-N 3.36Å; S4-Y8 VanDerWaalsContact O-N 3.13Å; N5-Y8 PolarHBondContact O-N 2.6Å; Y8-Q11 PolarHBondContact O-N 3.32Å; Y8-T12 PolarHBondContact O-N 3.09Å; Y8-T12 PolarHBondContact O-OG1 2.91Å
9	I	78.4	Confident	75.6	Confident	94 Å²	94	108.9 Å²	108.9	48%	0.482	56%	0.563	S	S	.	*	H	α-helix	trans	-62.3	-45.6	175.8	-67.7	167.5	0	0	0	110.2	N5 Q11 T12 I13	N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.45Å; I9-Q11 VanDerWaalsContact C-N 3.33Å; I9-Q11 PolarHBondContact O-N 3.27Å; I9-T12 PolarHBondContact O-N 2.78Å; I9-T12 VanDerWaalsContact O-N 3.17Å; I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 3.26Å
10	N	82	Confident	75.9	Confident	92 Å²	92	105.7 Å²	105.7	49%	0.492	55%	0.553	S	S	.	*	H	α-helix	trans	-61.5	-40.6	176.9	-74.9	-18.9	0	0	0	112.1	Q6 S7 I13 Q14	Q6-N10 WeakPolarHBondContact O-CB 3.38Å; Q6-N10 VanDerWaalsContact O-CG 3.27Å; Q6-N10 PolarHBondContact O-N 2.74Å; Q6-N10 VanDerWaalsContact O-N 3.07Å; Q6-N10 PolarHBondContact O-ND2 3.19Å; S7-N10 PolarHBondContact O-N 3.01Å; N10-I13 PolarHBondContact O-N 3.18Å; N10-Q14 WeakPolarHBondContact O-CB 3.23Å; N10-Q14 PolarHBondContact O-N 3.04Å
11	Q	79.1	Confident	76.1	Confident	122 Å²	122	103.8 Å²	103.8	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-63	-40.2	174.2	-79.2	178.8	-12.8	0	0	112.4	S7 Y8 I9 S15	S7-Q11 WeakPolarHBondContact O-CB 3.35Å; S7-Q11 WeakPolarHBondContact O-CG 3.42Å; S7-Q11 PolarHBondContact O-N 3.42Å; Y8-Q11 PolarHBondContact O-N 3.32Å; I9-Q11 VanDerWaalsContact C-N 3.33Å; I9-Q11 PolarHBondContact O-N 3.27Å; Q11-S15 WeakPolarHBondContact O-CB 3.49Å; Q11-S15 PolarHBondContact O-N 3.3Å; Q11-S15 PolarHBondContact O-OG 2.9Å
12	T	78.9	Confident	77.3	Confident	47 Å²	47	99.6 Å²	99.6	29%	0.288	53%	0.529	S	S	.	.	H	α-helix	trans	-70.1	-40.8	179	-53.6	0	0	0	0	111.8	Y8 I9 S15 Q16	Y8-T12 PolarHBondContact O-N 3.09Å; Y8-T12 PolarHBondContact O-OG1 2.91Å; I9-T12 PolarHBondContact O-N 2.78Å; I9-T12 VanDerWaalsContact O-N 3.17Å; T12-S15 PolarHBondContact O-N 3.49Å; T12-S15 PolarHBondContact O-OG 2.71Å; T12-Q16 WeakPolarHBondContact O-CB 3.38Å; T12-Q16 WeakPolarHBondContact O-CG 3.15Å; T12-Q16 PolarHBondContact O-N 3.29Å
13	I	78.3	Confident	78	Confident	83 Å²	83	99.3 Å²	99.3	43%	0.426	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-43.2	175.2	-68.1	169.8	0	0	0	110.4	I9 N10 S15 Q16 L17	I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 3.26Å; N10-I13 PolarHBondContact O-N 3.18Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.4Å; I13-Q16 PolarHBondContact O-N 3.32Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.37Å
14	Q	77.4	Confident	78.8	Confident	123 Å²	123	100 Å²	100	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-61.9	-40.5	173.6	-88	-178.5	-33.5	0	0	112.1	N10 L17 N18	N10-Q14 WeakPolarHBondContact O-CB 3.23Å; N10-Q14 PolarHBondContact O-N 3.04Å; Q14-L17 PolarHBondContact O-N 3.1Å; Q14-N18 VanDerWaalsContact O-CB 3.3Å; Q14-N18 WeakPolarHBondContact O-CB 3.32Å; Q14-N18 VanDerWaalsContact O-CG 3.26Å; Q14-N18 PolarHBondContact O-N 2.78Å; Q14-N18 PolarHBondContact O-ND2 2.77Å
15	S	76.2	Confident	79.4	Confident	65 Å²	65	101.8 Å²	101.8	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.6	76.2	0	0	0	0	111.7	Q11 T12 I13 N18 L19	Q11-S15 WeakPolarHBondContact O-CB 3.49Å; Q11-S15 PolarHBondContact O-N 3.3Å; Q11-S15 PolarHBondContact O-OG 2.9Å; T12-S15 PolarHBondContact O-N 3.49Å; T12-S15 PolarHBondContact O-OG 2.71Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.4Å; S15-N18 PolarHBondContact O-N 2.9Å; S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 PolarHBondContact O-N 3.33Å
16	Q	74.5	Confident	79.8	Confident	130 Å²	130	99.8 Å²	99.8	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-43	174.4	-74.9	-174.1	-11.3	0	0	112.8	T12 I13 N18 L19 A20	T12-Q16 WeakPolarHBondContact O-CB 3.38Å; T12-Q16 WeakPolarHBondContact O-CG 3.15Å; T12-Q16 PolarHBondContact O-N 3.29Å; I13-Q16 PolarHBondContact O-N 3.32Å; Q16-N18 VanDerWaalsContact C-N 3.35Å; Q16-L19 PolarHBondContact O-N 3.04Å; Q16-A20 WeakPolarHBondContact O-CB 3.25Å; Q16-A20 PolarHBondContact O-N 3.4Å
17	L	75.3	Confident	80.3	Confident	113 Å²	113	99.6 Å²	99.6	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-62.2	-41.4	174.6	-79.9	162	0	0	0	111.7	I13 Q14 A20 S21	I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.37Å; Q14-L17 PolarHBondContact O-N 3.1Å; L17-A20 PolarHBondContact O-N 3.37Å; L17-S21 PolarHBondContact O-N 2.89Å; L17-S21 PolarHBondContact O-OG 2.89Å
18	N	80.7	Confident	80.8	Confident	100 Å²	100	101.9 Å²	101.9	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-40.4	174.4	-78.9	-20.6	0	0	0	112	Q14 S15 Q16 S21 I22	Q14-N18 VanDerWaalsContact O-CB 3.3Å; Q14-N18 WeakPolarHBondContact O-CB 3.32Å; Q14-N18 VanDerWaalsContact O-CG 3.26Å; Q14-N18 PolarHBondContact O-N 2.78Å; Q14-N18 PolarHBondContact O-ND2 2.77Å; S15-N18 PolarHBondContact O-N 2.9Å; Q16-N18 VanDerWaalsContact C-N 3.35Å; N18-S21 PolarHBondContact O-N 3.04Å; N18-S21 PolarHBondContact O-OG 3.31Å; N18-I22 WeakPolarHBondContact O-CD1 3.43Å; N18-I22 WeakPolarHBondContact O-CG1 3.49Å; N18-I22 PolarHBondContact O-N 2.87Å; N18-I22 VanDerWaalsContact O-N 3.08Å
19	L	79.1	Confident	81.4	Confident	112 Å²	112	97.9 Å²	97.9	59%	0.586	51%	0.508	S	S	*	.	H	α-helix	trans	-65.8	-42	177.3	-150.1	78.8	0	0	0	111.1	S15 Q16 I22 L23	S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 PolarHBondContact O-N 3.33Å; Q16-L19 PolarHBondContact O-N 3.04Å; L19-I22 PolarHBondContact O-N 3.03Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.2Å; L19-L23 PolarHBondContact O-N 3.2Å
20	A	81.9	Confident	82	Confident	44 Å²	44	100 Å²	100	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-38.9	177.6	0	0	0	0	0	112.7	Q16 L17 L23 R24	Q16-A20 WeakPolarHBondContact O-CB 3.25Å; Q16-A20 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.37Å; A20-L23 PolarHBondContact O-N 3.13Å; A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3.12Å; A20-R24 VanDerWaalsContact O-N 3.11Å
21	S	80.6	Confident	82.6	Confident	66 Å²	66	103.9 Å²	103.9	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-41.4	176.9	66.2	0	0	0	0	112.1	L17 N18 L23 R24 F25	L17-S21 PolarHBondContact O-N 2.89Å; L17-S21 PolarHBondContact O-OG 2.89Å; N18-S21 PolarHBondContact O-N 3.04Å; N18-S21 PolarHBondContact O-OG 3.31Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 2.89Å; S21-R24 PolarHBondContact O-N 3.43Å; S21-F25 PolarHBondContact O-N 2.85Å; S21-F25 VanDerWaalsContact O-N 3.1Å
22	I	81.6	Confident	83.1	Confident	118 Å²	118	102.2 Å²	102.2	61%	0.605	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-42.8	174.2	-68	165	0	0	0	110.9	N18 L19 R24 F25	N18-I22 WeakPolarHBondContact O-CD1 3.43Å; N18-I22 WeakPolarHBondContact O-CG1 3.49Å; N18-I22 PolarHBondContact O-N 2.87Å; N18-I22 VanDerWaalsContact O-N 3.08Å; L19-I22 PolarHBondContact O-N 3.03Å; I22-R24 VanDerWaalsContact C-N 3.33Å; I22-R24 PolarHBondContact O-N 3.25Å; I22-F25 WeakPolarHBondContact O-CB 3.38Å; I22-F25 PolarHBondContact O-N 2.87Å
23	L	83.1	Confident	83.7	Confident	124 Å²	124	103.3 Å²	103.3	65%	0.649	52%	0.515	S	S	*	.	H	α-helix	trans	-68.3	-28.9	179.6	-73.8	167.2	0	0	0	113.4	L19 A20 S21	L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.2Å; L19-L23 PolarHBondContact O-N 3.2Å; A20-L23 PolarHBondContact O-N 3.13Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 2.89Å
24	R	85.4	Confident	84.3	Confident	161 Å²	161	103.8 Å²	103.8	61%	0.608	52%	0.518	S	S	*	.	H	α-helix	trans	-84.2	-18.5	176.9	-70.8	-178.6	-177.6	-166	1.3	113.6	A20 S21 I22 P26 I27 D28	A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3.12Å; A20-R24 VanDerWaalsContact O-N 3.11Å; S21-R24 PolarHBondContact O-N 3.43Å; I22-R24 VanDerWaalsContact C-N 3.33Å; I22-R24 PolarHBondContact O-N 3.25Å; R24-P26 VanDerWaalsContact C-CD 3.48Å; R24-P26 VanDerWaalsContact C-N 3.34Å; R24-P26 VanDerWaalsContact O-N 3.17Å; R24-I27 WeakPolarHBondContact O-CA 3.45Å; R24-I27 WeakPolarHBondContact O-CB 3.2Å; R24-I27 PolarHBondContact O-N 3.24Å; R24-D28 WeakPolarHBondContact CB-OD2 3.39Å; R24-D28 PolarHBondContact O-N 2.57Å
25	F	86.3	Confident	85.1	Confident	101 Å²	101	103.2 Å²	103.2	44%	0.443	52%	0.518	S	S	.	.	H	α-helix	trans	-48.2	-45.8	-178.2	-178.4	-86.5	0	0	0	114.1	S21 I22 I27 D28 H29 L33	S21-F25 PolarHBondContact O-N 2.85Å; S21-F25 VanDerWaalsContact O-N 3.1Å; I22-F25 WeakPolarHBondContact O-CB 3.38Å; I22-F25 PolarHBondContact O-N 2.87Å; F25-I27 VanDerWaalsContact C-N 3.29Å; F25-I27 PolarHBondContact O-N 3.07Å; F25-D28 PolarHBondContact O-N 3.32Å; F25-H29 AromaticContact CD2-CD2 3.25Å; F25-H29 WeakPolarHBondContact CD2-CD2 3.32Å; F25-H29 AromaticContact CD2-NE2 3.87Å; F25-H29 HydrophobicContact CE1-CB 4.4Å; F25-H29 HydrophobicContact CE2-CB 4.46Å; F25-H29 AromaticContact CE2-CD2 3.35Å; F25-H29 WeakPolarHBondContact CE2-CD2 3.13Å; F25-H29 AromaticContact CE2-NE2 3.93Å; F25-H29 AromaticContact CG-CD2 3.83Å; F25-H29 HydrophobicContact CZ-CB 4.28Å; F25-H29 VanDerWaalsContact O-CB 3.29Å; F25-H29 WeakPolarHBondContact O-CB 3.42Å; F25-H29 PolarHBondContact O-CD2 3.36Å; F25-H29 PolarHBondContact O-N 3.06Å; F25-L33 HydrophobicContact CE1-CD2 4.4Å
26	P	84.4	Confident	85.9	Confident	64 Å²	64	105.3 Å²	105.3	42%	0.416	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-30.6	177.7	-20.6	33.9	0	0	0	114	R24 W30 L33	R24-P26 VanDerWaalsContact C-CD 3.48Å; R24-P26 VanDerWaalsContact C-N 3.34Å; R24-P26 VanDerWaalsContact O-N 3.17Å; P26-W30 VanDerWaalsContact O-CA 3.27Å; P26-W30 WeakPolarHBondContact O-CA 3.25Å; P26-W30 VanDerWaalsContact O-CB 3.3Å; P26-W30 WeakPolarHBondContact O-CB 3.28Å; P26-W30 PolarHBondContact O-N 3Å; P26-W30 VanDerWaalsContact O-N 3.07Å; P26-L33 HydrophobicContact CB-CD1 3.87Å
27	I	86.3	Confident	86.7	Confident	122 Å²	122	104.1 Å²	104.1	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-76.7	-46.3	178.7	-59.5	172.1	0	0	0	109.6	R24 F25 H29	R24-I27 WeakPolarHBondContact O-CA 3.45Å; R24-I27 WeakPolarHBondContact O-CB 3.2Å; R24-I27 PolarHBondContact O-N 3.24Å; F25-I27 VanDerWaalsContact C-N 3.29Å; F25-I27 PolarHBondContact O-N 3.07Å; I27-H29 VanDerWaalsContact C-N 3.32Å; I27-H29 PolarHBondContact O-N 3.23Å
28	D	90	Very high	87.5	Confident	104 Å²	104	101 Å²	101	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-71.9	-28.7	-177.6	-63.9	-22.1	0	0	0	111.7	R24 F25	R24-D28 WeakPolarHBondContact CB-OD2 3.39Å; R24-D28 PolarHBondContact O-N 2.57Å; F25-D28 PolarHBondContact O-N 3.32Å
29	H	89.9	Confident	88	Confident	71 Å²	71	99.4 Å²	99.4	33%	0.329	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	23.1	-174.7	-57.2	-67.2	0	0	0	114.7	F25 I27 R31 I32 L33	F25-H29 AromaticContact CD2-CD2 3.25Å; F25-H29 WeakPolarHBondContact CD2-CD2 3.32Å; F25-H29 AromaticContact CD2-NE2 3.87Å; F25-H29 HydrophobicContact CE1-CB 4.4Å; F25-H29 HydrophobicContact CE2-CB 4.46Å; F25-H29 AromaticContact CE2-CD2 3.35Å; F25-H29 WeakPolarHBondContact CE2-CD2 3.13Å; F25-H29 AromaticContact CE2-NE2 3.93Å; F25-H29 AromaticContact CG-CD2 3.83Å; F25-H29 HydrophobicContact CZ-CB 4.28Å; F25-H29 VanDerWaalsContact O-CB 3.29Å; F25-H29 WeakPolarHBondContact O-CB 3.42Å; F25-H29 PolarHBondContact O-CD2 3.36Å; F25-H29 PolarHBondContact O-N 3.06Å; I27-H29 VanDerWaalsContact C-N 3.32Å; I27-H29 PolarHBondContact O-N 3.23Å; H29-R31 PolarHBondContact O-N 2.93Å; H29-I32 HydrophobicContact CB-CB 4.29Å; H29-I32 HydrophobicContact CB-CD1 4.1Å; H29-I32 HydrophobicContact CB-CG1 4.36Å; H29-I32 WeakPolarHBondContact O-CA 3.49Å; H29-I32 WeakPolarHBondContact O-CB 3.4Å; H29-I32 PolarHBondContact O-N 3.48Å; H29-L33 PolarHBondContact O-N 2.96Å; H29-L33 VanDerWaalsContact O-N 3.09Å
30	W	91.5	Very high	88.5	Confident	138 Å²	138	95.9 Å²	95.9	52%	0.523	50%	0.496	S	S	.	.	H	α-helix	trans	-52.2	-35.1	-178.9	71.7	-86.3	0	0	0	113.5	P26 L33 L34	P26-W30 VanDerWaalsContact O-CA 3.27Å; P26-W30 WeakPolarHBondContact O-CA 3.25Å; P26-W30 VanDerWaalsContact O-CB 3.3Å; P26-W30 WeakPolarHBondContact O-CB 3.28Å; P26-W30 PolarHBondContact O-N 3Å; P26-W30 VanDerWaalsContact O-N 3.07Å; W30-L33 PolarHBondContact O-N 2.97Å; W30-L34 HydrophobicContact CE3-CD1 3.43Å; W30-L34 VanDerWaalsContact CE3-CD1 3.43Å; W30-L34 HydrophobicContact CE3-CG 4.18Å; W30-L34 HydrophobicContact CZ3-CD1 3.36Å; W30-L34 WeakPolarHBondContact O-CG 3.2Å; W30-L34 PolarHBondContact O-N 2.93Å
31	R	93.8	Very high	88.9	Confident	174 Å²	174	98.7 Å²	98.7	66%	0.657	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-41.4	175.6	-64.8	-177.7	177.3	173.5	-0.8	112.4	H29 L34 I35	H29-R31 PolarHBondContact O-N 2.93Å; R31-L34 PolarHBondContact O-N 2.86Å; R31-I35 WeakPolarHBondContact O-CG1 3.39Å; R31-I35 PolarHBondContact O-N 2.91Å
32	I	90.7	Very high	89.2	Confident	86 Å²	86	100.3 Å²	100.3	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-43.5	176.9	-58.3	-179.8	0	0	0	109.3	H29 L34 I35 L36	H29-I32 HydrophobicContact CB-CB 4.29Å; H29-I32 HydrophobicContact CB-CD1 4.1Å; H29-I32 HydrophobicContact CB-CG1 4.36Å; H29-I32 WeakPolarHBondContact O-CA 3.49Å; H29-I32 WeakPolarHBondContact O-CB 3.4Å; H29-I32 PolarHBondContact O-N 3.48Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 2.84Å; I32-I35 PolarHBondContact O-N 3.23Å; I32-L36 HydrophobicContact CG2-CD1 4.05Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CG 3.03Å; I32-L36 PolarHBondContact O-N 2.79Å
33	L	90.9	Very high	89.7	Confident	71 Å²	71	98.7 Å²	98.7	37%	0.372	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-41	176.5	-67	176.5	0	0	0	112.2	F25 P26 H29 W30 L36 L37	F25-L33 HydrophobicContact CE1-CD2 4.4Å; P26-L33 HydrophobicContact CB-CD1 3.87Å; H29-L33 PolarHBondContact O-N 2.96Å; H29-L33 VanDerWaalsContact O-N 3.09Å; W30-L33 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.19Å
34	L	92.1	Very high	90	Very high	93 Å²	93	96.4 Å²	96.4	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-40.7	174.5	-73.7	-177.6	0	0	0	112.7	W30 R31 I32 L37 A38	W30-L34 HydrophobicContact CE3-CD1 3.43Å; W30-L34 VanDerWaalsContact CE3-CD1 3.43Å; W30-L34 HydrophobicContact CE3-CG 4.18Å; W30-L34 HydrophobicContact CZ3-CD1 3.36Å; W30-L34 WeakPolarHBondContact O-CG 3.2Å; W30-L34 PolarHBondContact O-N 2.93Å; R31-L34 PolarHBondContact O-N 2.86Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 2.84Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.81Å
35	I	92.9	Very high	90.3	Very high	110 Å²	110	90.9 Å²	90.9	56%	0.564	47%	0.469	S	S	*	.	H	α-helix	trans	-64	-47.5	176.1	-68.6	165.5	0	0	0	110.2	R31 I32 L37 A38 V39	R31-I35 WeakPolarHBondContact O-CG1 3.39Å; R31-I35 PolarHBondContact O-N 2.91Å; I32-I35 PolarHBondContact O-N 3.23Å; I35-L37 VanDerWaalsContact C-N 3.31Å; I35-L37 PolarHBondContact O-N 3.35Å; I35-A38 PolarHBondContact O-N 2.92Å; I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.15Å; I35-V39 PolarHBondContact O-N 2.83Å
36	L	92.5	Very high	90.5	Very high	109 Å²	109	90.8 Å²	90.8	57%	0.571	47%	0.472	S	S	*	.	H	α-helix	trans	-61.1	-40.5	178.1	-70.8	174.7	0	0	0	111.7	I32 L33 G40	I32-L36 HydrophobicContact CG2-CD1 4.05Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CG 3.03Å; I32-L36 PolarHBondContact O-N 2.79Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-G40 PolarHBondContact O-N 3.07Å
37	L	92.1	Very high	90.9	Very high	105 Å²	105	91.3 Å²	91.3	55%	0.55	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-47.7	174.1	-179.1	65.1	0	0	0	111.4	L33 L34 I35 V39 G40 L41	L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.19Å; L34-L37 PolarHBondContact O-N 2.84Å; I35-L37 VanDerWaalsContact C-N 3.31Å; I35-L37 PolarHBondContact O-N 3.35Å; L37-V39 PolarHBondContact O-N 3.39Å; L37-G40 PolarHBondContact O-N 3.21Å; L37-L41 HydrophobicContact CG-CD1 4.38Å; L37-L41 WeakPolarHBondContact O-CG 3.05Å; L37-L41 PolarHBondContact O-N 3.46Å
38	A	91.2	Very high	91.3	Very high	47 Å²	47	88.8 Å²	88.8	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-44.5	178.4	0	0	0	0	0	111.9	L34 I35 G40 L41 I42	L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.81Å; I35-A38 PolarHBondContact O-N 2.92Å; A38-G40 VanDerWaalsContact C-N 3.35Å; A38-G40 PolarHBondContact O-N 3.36Å; A38-L41 PolarHBondContact O-N 3.38Å; A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.45Å; A38-I42 PolarHBondContact O-N 2.68Å
39	V	91.8	Very high	91.6	Very high	67 Å²	67	85.7 Å²	85.7	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-60.8	-44	174.2	170.4	0	0	0	0	110.8	I35 L37 L41 I42 N43	I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.15Å; I35-V39 PolarHBondContact O-N 2.83Å; L37-V39 PolarHBondContact O-N 3.39Å; V39-L41 PolarHBondContact O-N 3.15Å; V39-I42 PolarHBondContact O-N 3.35Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.37Å; V39-N43 VanDerWaalsContact O-CB 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.36Å; V39-N43 PolarHBondContact O-N 3.33Å; V39-N43 PolarHBondContact O-ND2 2.83Å
40	G	90.3	Very high	91.9	Very high	39 Å²	39	87 Å²	87	40%	0.402	45%	0.452	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.2	0	0	0	0	0	112.9	L36 L37 A38 N43 N44	L36-G40 PolarHBondContact O-N 3.07Å; L37-G40 PolarHBondContact O-N 3.21Å; A38-G40 VanDerWaalsContact C-N 3.35Å; A38-G40 PolarHBondContact O-N 3.36Å; G40-N43 PolarHBondContact O-N 2.9Å; G40-N44 WeakPolarHBondContact O-CB 3.21Å; G40-N44 PolarHBondContact O-N 3.08Å
41	L	88.9	Confident	92.1	Very high	102 Å²	102	85.3 Å²	85.3	53%	0.534	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-45.3	176.2	-69.2	174.1	0	0	0	111.8	L37 A38 V39 N44 E45	L37-L41 HydrophobicContact CG-CD1 4.38Å; L37-L41 WeakPolarHBondContact O-CG 3.05Å; L37-L41 PolarHBondContact O-N 3.46Å; A38-L41 PolarHBondContact O-N 3.38Å; V39-L41 PolarHBondContact O-N 3.15Å; L41-N44 WeakPolarHBondContact O-CB 3.37Å; L41-N44 PolarHBondContact O-N 3.38Å; L41-E45 WeakPolarHBondContact O-CG 3Å; L41-E45 PolarHBondContact O-N 2.94Å; L41-E45 VanDerWaalsContact O-N 3.15Å
42	I	88.8	Confident	92.2	Very high	101 Å²	101	77.7 Å²	77.7	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-47.4	176.8	-69.5	166.2	0	0	0	110.4	A38 V39 N44 E45 I46	A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.45Å; A38-I42 PolarHBondContact O-N 2.68Å; V39-I42 PolarHBondContact O-N 3.35Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.31Å; I42-E45 PolarHBondContact O-N 3.39Å; I42-E45 VanDerWaalsContact O-N 3.15Å; I42-I46 HydrophobicContact CG2-CD1 3.62Å; I42-I46 HydrophobicContact CG2-CG1 4.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.37Å; I42-I46 PolarHBondContact O-N 2.9Å
43	N	91.1	Very high	92.6	Very high	84 Å²	84	75.8 Å²	75.8	45%	0.449	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-38.6	178.6	-74.4	-16.1	0	0	0	112.3	V39 G40 I46 T47	V39-N43 WeakPolarHBondContact CG1-ND2 3.37Å; V39-N43 VanDerWaalsContact O-CB 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.36Å; V39-N43 PolarHBondContact O-N 3.33Å; V39-N43 PolarHBondContact O-ND2 2.83Å; G40-N43 PolarHBondContact O-N 2.9Å; N43-I46 PolarHBondContact O-N 2.74Å; N43-T47 WeakPolarHBondContact O-CB 3.24Å; N43-T47 PolarHBondContact O-N 3.44Å; N43-T47 PolarHBondContact O-OG1 3.38Å
44	N	90.4	Very high	92.9	Very high	75 Å²	75	75.8 Å²	75.8	40%	0.401	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-43.8	174.6	-176.1	42.4	0	0	0	111.8	G40 L41 I42 T47 K48	G40-N44 WeakPolarHBondContact O-CB 3.21Å; G40-N44 PolarHBondContact O-N 3.08Å; L41-N44 WeakPolarHBondContact O-CB 3.37Å; L41-N44 PolarHBondContact O-N 3.38Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.31Å; N44-T47 PolarHBondContact O-N 3.39Å; N44-K48 PolarHBondContact ND2-NZ 3.01Å; N44-K48 WeakPolarHBondContact O-CG 3.34Å; N44-K48 PolarHBondContact O-N 2.93Å; N44-K48 WeakPolarHBondContact OD1-CE 3.34Å
45	E	90.3	Very high	93.2	Very high	45 Å²	45	72.1 Å²	72.1	21%	0.21	40%	0.399	C	S	.	.	H	α-helix	trans	-73.3	-36.5	179.1	-58.7	-50.6	121	0	0	112.4	L41 I42 T47 K48 V49 Y307 K310 F311	L41-E45 WeakPolarHBondContact O-CG 3Å; L41-E45 PolarHBondContact O-N 2.94Å; L41-E45 VanDerWaalsContact O-N 3.15Å; I42-E45 PolarHBondContact O-N 3.39Å; I42-E45 VanDerWaalsContact O-N 3.15Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 3.39Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-K48 IonicContact OE1-NZ 2.77Å; E45-K48 PolarHBondContact OE1-NZ 3.14Å; E45-K48 IonicContact OE2-NZ 3.6Å; E45-V49 WeakPolarHBondContact O-CG2 3.36Å; E45-V49 PolarHBondContact O-N 2.91Å; E45-V49 VanDerWaalsContact O-N 3.14Å; E45-Y307 VanDerWaalsContact CA-OH 3.28Å; E45-Y307 WeakPolarHBondContact CA-OH 3.42Å; E45-Y307 WeakPolarHBondContact CB-OH 3.28Å; E45-Y307 PolarHBondContact O-OH 2.87Å; E45-Y307 PolarHBondContact OE2-OH 2.97Å; E45-K310 WeakPolarHBondContact OE2-CE 3.24Å; E45-K310 IonicContact OE2-NZ 2.66Å; E45-K310 PolarHBondContact OE2-NZ 3.44Å; E45-F311 HydrophobicContact CG-CE1 4.45Å; E45-F311 HydrophobicContact CG-CZ 4.1Å; E45-F311 WeakPolarHBondContact OE2-CZ 3.47Å
46	I	91.6	Very high	93.4	Very high	100 Å²	100	67.4 Å²	67.4	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-44.6	171.6	-69.9	171	0	0	0	110.3	I42 N43 K48 V49 L50	I42-I46 HydrophobicContact CG2-CD1 3.62Å; I42-I46 HydrophobicContact CG2-CG1 4.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.37Å; I42-I46 PolarHBondContact O-N 2.9Å; N43-I46 PolarHBondContact O-N 2.74Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 3.34Å; I46-V49 PolarHBondContact O-N 2.91Å; I46-L50 PolarHBondContact O-N 2.98Å
47	T	93.1	Very high	93.6	Very high	74 Å²	74	66 Å²	66	45%	0.454	37%	0.37	S	S	.	.	H	α-helix	trans	-60.2	-42.1	179.7	-59.2	0	0	0	0	111.5	N43 N44 E45 L50 L51	N43-T47 WeakPolarHBondContact O-CB 3.24Å; N43-T47 PolarHBondContact O-N 3.44Å; N43-T47 PolarHBondContact O-OG1 3.38Å; N44-T47 PolarHBondContact O-N 3.39Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 3.39Å; T47-L50 WeakPolarHBondContact O-CB 3.35Å; T47-L50 PolarHBondContact O-N 3.08Å; T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 3.45Å
48	K	93.8	Very high	93.9	Very high	70 Å²	70	64.6 Å²	64.6	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-37.3	177	-66	167.5	-167.6	164.3	0	112.7	N44 E45 I46 L51 I52 Y307	N44-K48 PolarHBondContact ND2-NZ 3.01Å; N44-K48 WeakPolarHBondContact O-CG 3.34Å; N44-K48 PolarHBondContact O-N 2.93Å; N44-K48 WeakPolarHBondContact OD1-CE 3.34Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-K48 IonicContact OE1-NZ 2.77Å; E45-K48 PolarHBondContact OE1-NZ 3.14Å; E45-K48 IonicContact OE2-NZ 3.6Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 3.34Å; K48-L51 PolarHBondContact O-N 3.44Å; K48-I52 WeakPolarHBondContact O-CG1 3.23Å; K48-I52 PolarHBondContact O-N 2.91Å; K48-I52 VanDerWaalsContact O-N 3.15Å; K48-Y307 HydrophobicContact CB-CE2 3.47Å; K48-Y307 VanDerWaalsContact CB-CE2 3.47Å; K48-Y307 WeakPolarHBondContact CB-OH 3.3Å; K48-Y307 HydrophobicContact CD-CE2 3.91Å; K48-Y307 HydrophobicContact CG-CE2 4.31Å
49	V	95.3	Very high	94.2	Very high	39 Å²	39	66.6 Å²	66.6	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-42	173.1	175.5	0	0	0	0	110.7	E45 I46 L51 I52 C53 L304 Y307	E45-V49 WeakPolarHBondContact O-CG2 3.36Å; E45-V49 PolarHBondContact O-N 2.91Å; E45-V49 VanDerWaalsContact O-N 3.14Å; I46-V49 PolarHBondContact O-N 2.91Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.5Å; V49-I52 WeakPolarHBondContact O-CB 3.44Å; V49-I52 PolarHBondContact O-N 3.34Å; V49-I52 VanDerWaalsContact O-N 3.08Å; V49-C53 PolarHBondContact O-N 3.47Å; V49-C53 VanDerWaalsContact O-N 3.08Å; V49-L304 HydrophobicContact CG1-CD1 4.11Å; V49-Y307 HydrophobicContact CG2-CD1 3.89Å; V49-Y307 HydrophobicContact CG2-CE1 3.43Å; V49-Y307 VanDerWaalsContact CG2-CE1 3.43Å
50	L	96.1	Very high	94.5	Very high	97 Å²	97	66.6 Å²	66.6	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-39.8	174.3	-179	62.8	0	0	0	111.7	I46 T47 I52 C53 L54	I46-L50 PolarHBondContact O-N 2.98Å; T47-L50 WeakPolarHBondContact O-CB 3.35Å; T47-L50 PolarHBondContact O-N 3.08Å; L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 3.35Å; L50-C53 WeakPolarHBondContact O-CB 3.33Å; L50-C53 PolarHBondContact O-N 3.05Å; L50-C53 VanDerWaalsContact O-N 3.13Å; L50-L54 HydrophobicContact CD1-CG 4.5Å; L50-L54 HydrophobicContact CG-CD1 4.15Å; L50-L54 HydrophobicContact CG-CG 4.43Å; L50-L54 WeakPolarHBondContact O-CG 3.16Å; L50-L54 PolarHBondContact O-N 2.65Å
51	L	96.3	Very high	94.9	Very high	103 Å²	103	75.1 Å²	75.1	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-34.3	174.4	-71.9	172.7	0	0	0	112.6	T47 K48 V49 L54 K55	T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 3.45Å; K48-L51 PolarHBondContact O-N 3.44Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.5Å; L51-L54 HydrophobicContact CD2-CD1 4.4Å; L51-K55 VanDerWaalsContact O-CB 3.25Å; L51-K55 WeakPolarHBondContact O-CB 3.49Å; L51-K55 PolarHBondContact O-N 3.25Å
52	I	97.1	Very high	95.3	Very high	15 Å²	15	73.5 Å²	73.5	8%	0.077	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-45.4	171.7	-65.5	168.3	0	0	0	110.2	K48 V49 L50 K55 F56 F300 E303 Y307	K48-I52 WeakPolarHBondContact O-CG1 3.23Å; K48-I52 PolarHBondContact O-N 2.91Å; K48-I52 VanDerWaalsContact O-N 3.15Å; V49-I52 WeakPolarHBondContact O-CB 3.44Å; V49-I52 PolarHBondContact O-N 3.34Å; V49-I52 VanDerWaalsContact O-N 3.08Å; L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 3.35Å; I52-K55 WeakPolarHBondContact O-CB 3.35Å; I52-K55 PolarHBondContact O-N 3.15Å; I52-F56 HydrophobicContact CG2-CD2 4.22Å; I52-F56 HydrophobicContact CG2-CE2 4.39Å; I52-F56 WeakPolarHBondContact O-CD2 3.27Å; I52-F56 PolarHBondContact O-N 2.92Å; I52-F300 HydrophobicContact CG2-CD2 4Å; I52-F300 HydrophobicContact CG2-CE2 3.91Å; I52-E303 HydrophobicContact CD1-CG 4.23Å; I52-E303 HydrophobicContact CG1-CG 4.05Å; I52-E303 HydrophobicContact CG2-CB 3.85Å; I52-E303 HydrophobicContact CG2-CG 3.82Å; I52-Y307 HydrophobicContact CD1-CD2 3.97Å; I52-Y307 HydrophobicContact CD1-CG 3.88Å
53	C	97.5	Very high	95.7	Very high	46 Å²	46	74.7 Å²	74.7	31%	0.311	38%	0.379	S	S	.	.	H	α-helix	trans	-58.6	-51	175.5	-65	0	0	0	0	111.3	V49 L50 K55 F56 T57	V49-C53 PolarHBondContact O-N 3.47Å; V49-C53 VanDerWaalsContact O-N 3.08Å; L50-C53 WeakPolarHBondContact O-CB 3.33Å; L50-C53 PolarHBondContact O-N 3.05Å; L50-C53 VanDerWaalsContact O-N 3.13Å; C53-K55 VanDerWaalsContact C-N 3.26Å; C53-K55 PolarHBondContact O-N 3.05Å; C53-F56 PolarHBondContact O-N 2.74Å; C53-T57 WeakPolarHBondContact O-CG2 3.02Å; C53-T57 PolarHBondContact O-N 2.76Å; C53-T57 PolarHBondContact O-OG1 2.95Å
54	L	97.9	Very high	96	Very high	70 Å²	70	72.7 Å²	72.7	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-34.2	177.9	-70.4	172.7	0	0	0	112.7	L50 L51 V58 K59	L50-L54 HydrophobicContact CD1-CG 4.5Å; L50-L54 HydrophobicContact CG-CD1 4.15Å; L50-L54 HydrophobicContact CG-CG 4.43Å; L50-L54 WeakPolarHBondContact O-CG 3.16Å; L50-L54 PolarHBondContact O-N 2.65Å; L51-L54 HydrophobicContact CD2-CD1 4.4Å; L54-V58 HydrophobicContact CD2-CB 4.42Å; L54-V58 HydrophobicContact CD2-CG2 3.78Å; L54-V58 PolarHBondContact O-N 3.16Å; L54-K59 PolarHBondContact O-N 2.92Å
55	K	97.3	Very high	96.4	Very high	16 Å²	16	72.3 Å²	72.3	7%	0.07	37%	0.366	C	S	.	.	I	π-helix	trans	-62.2	-48.4	175.3	168.9	178.5	157.9	171.5	0	111.9	L51 I52 C53 T57 K59 K60 M289 E293 T296 E303	L51-K55 VanDerWaalsContact O-CB 3.25Å; L51-K55 WeakPolarHBondContact O-CB 3.49Å; L51-K55 PolarHBondContact O-N 3.25Å; I52-K55 WeakPolarHBondContact O-CB 3.35Å; I52-K55 PolarHBondContact O-N 3.15Å; C53-K55 VanDerWaalsContact C-N 3.26Å; C53-K55 PolarHBondContact O-N 3.05Å; K55-T57 VanDerWaalsContact C-N 3.33Å; K55-K59 HydrophobicContact CB-CD 4.36Å; K55-K60 PolarHBondContact O-N 2.98Å; K55-K60 VanDerWaalsContact O-N 3.11Å; K55-M289 HydrophobicContact CD-CE 4.46Å; K55-M289 HydrophobicContact CG-CE 3.8Å; K55-E293 HydrophobicContact CD-CG 4.1Å; K55-E293 HydrophobicContact CG-CG 4.38Å; K55-T296 WeakPolarHBondContact CE-OG1 3.48Å; K55-T296 PolarHBondContact NZ-OG1 3.39Å; K55-E303 IonicContact NZ-OE1 3.24Å; K55-E303 PolarHBondContact NZ-OE1 2.88Å; K55-E303 IonicContact NZ-OE2 2.9Å; K55-E303 PolarHBondContact NZ-OE2 2.8Å
56	F	98.1	Very high	96.7	Very high	12 Å²	12	71 Å²	71	5%	0.053	36%	0.359	C	S	.	.	I	π-helix	trans	-84.6	-3.8	-177.7	-75.4	-87.7	0	0	0	114.2	I52 C53 K60 M289 F300 E303	I52-F56 HydrophobicContact CG2-CD2 4.22Å; I52-F56 HydrophobicContact CG2-CE2 4.39Å; I52-F56 WeakPolarHBondContact O-CD2 3.27Å; I52-F56 PolarHBondContact O-N 2.92Å; C53-F56 PolarHBondContact O-N 2.74Å; F56-K60 WeakPolarHBondContact O-CD 3.21Å; F56-K60 WeakPolarHBondContact O-CE 3.4Å; F56-K60 PolarHBondContact O-NZ 3.29Å; F56-M289 HydrophobicContact CD1-CE 4.49Å; F56-M289 HydrophobicContact CD1-CG 4.29Å; F56-M289 HydrophobicContact CD1-SD 3.82Å; F56-M289 HydrophobicContact CE1-CE 4.36Å; F56-M289 HydrophobicContact CE1-CG 3.91Å; F56-M289 HydrophobicContact CE1-SD 3.96Å; F56-F300 HydrophobicContact CB-CB 4.21Å; F56-F300 HydrophobicContact CB-CD2 4.04Å; F56-F300 HydrophobicContact CD1-CB 4.03Å; F56-F300 HydrophobicContact CD2-CB 4.17Å; F56-F300 AromaticContact CD2-CD2 3.92Å; F56-F300 HydrophobicContact CD2-CD2 3.92Å; F56-F300 HydrophobicContact CE1-CB 4.46Å; F56-F300 HydrophobicContact CG-CB 3.87Å; F56-F300 HydrophobicContact CG-CD2 4.11Å; F56-F300 HydrophobicContact CG-CG 4.49Å; F56-E303 HydrophobicContact CE2-CB 3.61Å; F56-E303 HydrophobicContact CE2-CG 3.88Å; F56-E303 HydrophobicContact CZ-CB 4.12Å
57	T	97.2	Very high	96.9	Very high	79 Å²	79	75 Å²	75	49%	0.485	37%	0.373	S	S	.	.	I	π-helix	trans	-112.8	-80.2	172.8	60.2	0	0	0	0	111.6	C53 K55 W61	C53-T57 WeakPolarHBondContact O-CG2 3.02Å; C53-T57 PolarHBondContact O-N 2.76Å; C53-T57 PolarHBondContact O-OG1 2.95Å; K55-T57 VanDerWaalsContact C-N 3.33Å; T57-W61 WeakPolarHBondContact O-CB 3.49Å; T57-W61 PolarHBondContact O-N 2.93Å
58	V	97.9	Very high	97.1	Very high	76 Å²	76	73.7 Å²	73.7	46%	0.461	37%	0.365	S	S	.	.	I	π-helix	trans	-66.5	-54.1	-172.4	-179.2	0	0	0	0	111.9	L54 K60 W61 C62	L54-V58 HydrophobicContact CD2-CB 4.42Å; L54-V58 HydrophobicContact CD2-CG2 3.78Å; L54-V58 PolarHBondContact O-N 3.16Å; V58-K60 VanDerWaalsContact C-N 3.32Å; V58-K60 PolarHBondContact O-N 2.78Å; V58-W61 PolarHBondContact O-N 2.81Å; V58-W61 VanDerWaalsContact O-N 3.15Å; V58-C62 PolarHBondContact O-N 3.16Å; V58-C62 PolarHBondContact O-SG 3.31Å; V58-C62 VanDerWaalsContact O-SG 3.33Å
59	K	97.9	Very high	97.3	Very high	88 Å²	88	70.4 Å²	70.4	38%	0.383	35%	0.35	S	S	.	.	I	π-helix	trans	-61.4	-43.3	-179.7	-72.1	-173.9	164.8	-176.3	0	111.4	L54 K55 W61 C62 F63 V292 E293	L54-K59 PolarHBondContact O-N 2.92Å; K55-K59 HydrophobicContact CB-CD 4.36Å; K59-W61 VanDerWaalsContact C-N 3.33Å; K59-W61 PolarHBondContact O-N 2.82Å; K59-C62 PolarHBondContact O-N 3.18Å; K59-F63 HydrophobicContact CB-CD2 4.09Å; K59-F63 HydrophobicContact CG-CD2 4.37Å; K59-F63 HydrophobicContact CG-CE2 4.46Å; K59-F63 WeakPolarHBondContact O-CB 3.39Å; K59-F63 WeakPolarHBondContact O-CD2 3.49Å; K59-F63 PolarHBondContact O-N 2.85Å; K59-V292 HydrophobicContact CB-CG1 3.9Å; K59-E293 IonicContact NZ-OE1 3.3Å; K59-E293 PolarHBondContact NZ-OE1 3.43Å
60	K	98	Very high	97.4	Very high	68 Å²	68	76.8 Å²	76.8	30%	0.296	37%	0.37	S	S	.	.	H	α-helix	trans	-56.5	-47.3	174.4	-174.8	-169.4	77.3	-165.5	0	111.6	K55 F56 V58 S64 D288 M289	K55-K60 PolarHBondContact O-N 2.98Å; K55-K60 VanDerWaalsContact O-N 3.11Å; F56-K60 WeakPolarHBondContact O-CD 3.21Å; F56-K60 WeakPolarHBondContact O-CE 3.4Å; F56-K60 PolarHBondContact O-NZ 3.29Å; V58-K60 VanDerWaalsContact C-N 3.32Å; V58-K60 PolarHBondContact O-N 2.78Å; K60-S64 WeakPolarHBondContact O-CB 3.46Å; K60-S64 PolarHBondContact O-N 2.9Å; K60-D288 HydrophobicContact CD-CB 3.92Å; K60-D288 HydrophobicContact CG-CB 4.25Å; K60-M289 HydrophobicContact CB-SD 3.98Å; K60-M289 HydrophobicContact CD-SD 4.2Å; K60-M289 HydrophobicContact CG-SD 3.92Å
61	W	97.7	Very high	97.4	Very high	218 Å²	218	79.9 Å²	79.9	83%	0.826	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-43.1	179.2	-179.9	70.5	0	0	0	112.5	T57 V58 K59	T57-W61 WeakPolarHBondContact O-CB 3.49Å; T57-W61 PolarHBondContact O-N 2.93Å; V58-W61 PolarHBondContact O-N 2.81Å; V58-W61 VanDerWaalsContact O-N 3.15Å; K59-W61 VanDerWaalsContact C-N 3.33Å; K59-W61 PolarHBondContact O-N 2.82Å
62	C	97.8	Very high	97.5	Very high	68 Å²	68	75 Å²	75	46%	0.459	35%	0.354	S	S	.	.	H	α-helix	trans	-75.8	-36.9	-178.2	-64	0	0	0	0	114.1	V58 K59	V58-C62 PolarHBondContact O-N 3.16Å; V58-C62 PolarHBondContact O-SG 3.31Å; V58-C62 VanDerWaalsContact O-SG 3.33Å; K59-C62 PolarHBondContact O-N 3.18Å
63	F	97.4	Very high	97.6	Very high	126 Å²	126	74.4 Å²	74.4	55%	0.553	35%	0.351	S	S	*	.	H	α-helix	trans	-119.3	-4.1	-163.9	-57.6	-64.8	0	0	0	114.8	K59 K65 V292	K59-F63 HydrophobicContact CB-CD2 4.09Å; K59-F63 HydrophobicContact CG-CD2 4.37Å; K59-F63 HydrophobicContact CG-CE2 4.46Å; K59-F63 WeakPolarHBondContact O-CB 3.39Å; K59-F63 WeakPolarHBondContact O-CD2 3.49Å; K59-F63 PolarHBondContact O-N 2.85Å; F63-K65 PolarHBondContact O-N 3.5Å; F63-V292 HydrophobicContact CB-CG2 4.49Å
64	S	98.1	Very high	97.6	Very high	41 Å²	41	77.3 Å²	77.3	29%	0.287	36%	0.361	S	S	.	.			trans	-61.9	123.6	177.5	-177	0	0	0	0	110.9	K60 R66 D288	K60-S64 WeakPolarHBondContact O-CB 3.46Å; K60-S64 PolarHBondContact O-N 2.9Å; S64-R66 WeakPolarHBondContact OG-CB 3.28Å; S64-R66 PolarHBondContact OG-N 2.97Å; S64-D288 WeakPolarHBondContact CB-O 3.24Å; S64-D288 PolarHBondContact OG-O 3.32Å
65	K	97.1	Very high	97.7	Very high	68 Å²	68	74.1 Å²	74.1	30%	0.296	34%	0.344	S	S	.	.			trans	-96.3	9.7	176.2	-64.9	-175.4	178.2	-178.3	0	112.1	F63 K67 T68 I253 Y290	F63-K65 PolarHBondContact O-N 3.5Å; K65-K67 VanDerWaalsContact C-N 3.25Å; K65-K67 PolarHBondContact O-N 3.41Å; K65-T68 PolarHBondContact O-N 3.16Å; K65-T68 PolarHBondContact O-OG1 2.91Å; K65-I253 HydrophobicContact CB-CD1 4.17Å; K65-I253 HydrophobicContact CD-CD1 3.5Å; K65-I253 HydrophobicContact CD-CG1 4.47Å; K65-I253 HydrophobicContact CG-CD1 4.45Å; K65-Y290 HydrophobicContact CB-CD1 3.85Å; K65-Y290 HydrophobicContact CB-CE1 4.14Å; K65-Y290 PolarHBondContact N-O 3.44Å
66	R	97.6	Very high	97.7	Very high	18 Å²	18	73.4 Å²	73.4	7%	0.068	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-50	-47.4	-179.3	-177.9	178.3	166.6	145.9	12.1	111.9	S64 T68 L69 E92 E96 K284 L287 D288	S64-R66 WeakPolarHBondContact OG-CB 3.28Å; S64-R66 PolarHBondContact OG-N 2.97Å; R66-T68 PolarHBondContact O-N 3.11Å; R66-T68 VanDerWaalsContact O-N 3.12Å; R66-L69 HydrophobicContact CG-CD1 4.46Å; R66-L69 WeakPolarHBondContact O-CB 3.22Å; R66-L69 WeakPolarHBondContact O-CD1 3.33Å; R66-L69 WeakPolarHBondContact O-CG 3.49Å; R66-L69 PolarHBondContact O-N 2.93Å; R66-L69 VanDerWaalsContact O-N 3.13Å; R66-E92 IonicContact CZ-OE2 2.81Å; R66-E92 IonicContact NH1-OE2 2.65Å; R66-E92 PolarHBondContact NH1-OE2 2.84Å; R66-E92 IonicContact NH2-OE2 3.77Å; R66-E92 PolarHBondContact NH2-OE2 3.42Å; R66-E96 IonicContact CZ-OE1 3.75Å; R66-E96 VanDerWaalsContact CZ-OE1 3.24Å; R66-E96 IonicContact NE-OE1 2.72Å; R66-E96 PolarHBondContact NE-OE1 3.41Å; R66-E96 IonicContact NH2-OE1 3.45Å; R66-E96 PolarHBondContact NH2-OE1 3.46Å; R66-K284 PolarHBondContact NH1-O 3.37Å; R66-K284 VanDerWaalsContact NH1-O 3.13Å; R66-L287 WeakPolarHBondContact CB-O 3.47Å; R66-D288 WeakPolarHBondContact CD-OD1 3.48Å; R66-D288 IonicContact CZ-OD1 3.39Å; R66-D288 IonicContact NE-OD1 3.53Å; R66-D288 IonicContact NH1-OD1 3.65Å; R66-D288 PolarHBondContact NH1-OD1 2.89Å
67	K	96	Very high	97.8	Very high	184 Å²	184	72.8 Å²	72.8	80%	0.8	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-67.6	-10.6	179.9	-64.8	-174.4	177	-177.7	0	114.5	K65	K65-K67 VanDerWaalsContact C-N 3.25Å; K65-K67 PolarHBondContact O-N 3.41Å
68	T	96.6	Very high	97.9	Very high	46 Å²	46	69 Å²	69	28%	0.282	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-90.5	-10.6	176.4	76.5	0	0	0	0	112.5	K65 R66 R70 K71 A72	K65-T68 PolarHBondContact O-N 3.16Å; K65-T68 PolarHBondContact O-OG1 2.91Å; R66-T68 PolarHBondContact O-N 3.11Å; R66-T68 VanDerWaalsContact O-N 3.12Å; T68-R70 PolarHBondContact O-N 3.05Å; T68-K71 PolarHBondContact O-N 2.7Å; T68-A72 PolarHBondContact O-N 3.32Å; T68-A72 VanDerWaalsContact O-N 3.1Å
69	L	98	Very high	97.9	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-47.2	-176	-77.6	166.9	0	0	0	112.6	R66 K71 A72 L93 L98 A152 C153 L287 Y290	R66-L69 HydrophobicContact CG-CD1 4.46Å; R66-L69 WeakPolarHBondContact O-CB 3.22Å; R66-L69 WeakPolarHBondContact O-CD1 3.33Å; R66-L69 WeakPolarHBondContact O-CG 3.49Å; R66-L69 PolarHBondContact O-N 2.93Å; R66-L69 VanDerWaalsContact O-N 3.13Å; L69-K71 PolarHBondContact O-N 2.77Å; L69-A72 WeakPolarHBondContact O-CA 3.23Å; L69-A72 VanDerWaalsContact O-CB 3.28Å; L69-A72 WeakPolarHBondContact O-CB 3.33Å; L69-A72 PolarHBondContact O-N 3.02Å; L69-L93 HydrophobicContact CD1-CD2 3.76Å; L69-L98 HydrophobicContact CB-CD1 4.11Å; L69-A152 WeakPolarHBondContact O-CB 3.32Å; L69-C153 HydrophobicContact CD2-CB 4.02Å; L69-L287 HydrophobicContact CD1-CD2 4.28Å; L69-Y290 HydrophobicContact CD1-CD1 4.25Å; L69-Y290 HydrophobicContact CD2-CD1 3.99Å; L69-Y290 HydrophobicContact CD2-CE1 3.43Å; L69-Y290 VanDerWaalsContact CD2-CE1 3.43Å; L69-Y290 HydrophobicContact CD2-CE2 4.26Å; L69-Y290 HydrophobicContact CG-CD1 3.98Å; L69-Y290 HydrophobicContact CG-CE1 3.82Å
70	R	97.3	Very high	98	Very high	173 Å²	173	61.8 Å²	61.8	65%	0.653	28%	0.28	S	S	*	.	H	α-helix	trans	-61.3	-28.6	178.2	-175.9	173.5	175.8	-173	0.9	113.6	T68 A72 E96	T68-R70 PolarHBondContact O-N 3.05Å; R70-A72 VanDerWaalsContact C-N 3.34Å; R70-E96 WeakPolarHBondContact CD-O 3.47Å
71	K	97.7	Very high	98	Very high	162 Å²	162	58.5 Å²	58.5	70%	0.704	27%	0.266	S	S	*	.	H	α-helix	trans	-82.2	-16.2	174.7	-65.3	-174.4	179.3	-176.7	0	112.5	T68 L69 G73 E206	T68-K71 PolarHBondContact O-N 2.7Å; L69-K71 PolarHBondContact O-N 2.77Å; K71-G73 VanDerWaalsContact C-N 3.34Å; K71-E206 WeakPolarHBondContact O-CB 3.18Å
72	A	97.9	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-82.3	-13.6	-179.4	0	0	0	0	0	112.8	T68 L69 R70 A152 Q204 E206 P207	T68-A72 PolarHBondContact O-N 3.32Å; T68-A72 VanDerWaalsContact O-N 3.1Å; L69-A72 WeakPolarHBondContact O-CA 3.23Å; L69-A72 VanDerWaalsContact O-CB 3.28Å; L69-A72 WeakPolarHBondContact O-CB 3.33Å; L69-A72 PolarHBondContact O-N 3.02Å; R70-A72 VanDerWaalsContact C-N 3.34Å; A72-A152 HydrophobicContact CB-CB 4.01Å; A72-Q204 PolarHBondContact O-NE2 3.24Å; A72-E206 VanDerWaalsContact C-CB 3.42Å; A72-E206 WeakPolarHBondContact O-CB 3.43Å; A72-P207 VanDerWaalsContact CA-O 3.25Å; A72-P207 WeakPolarHBondContact CA-O 3.45Å; A72-P207 WeakPolarHBondContact CB-O 3.48Å
73	G	98.3	Very high	98	Very high	3 Å²	3	47 Å²	47	3%	0.031	22%	0.219	C	C	.	.			trans	162.1	168.6	176.7	0	0	0	0	0	111.7	K71 T150	K71-G73 VanDerWaalsContact C-N 3.34Å; G73-T150 VanDerWaalsContact CA-OG1 3.29Å; G73-T150 WeakPolarHBondContact CA-OG1 3.4Å
74	E	98.5	Very high	98	Very high	107 Å²	107	41.6 Å²	41.6	50%	0.5	20%	0.2	S	C	.	.	S	Bend	trans	-82.6	-31	-178.2	-69.6	178.7	-168.7	0	0	113.3	N99 S149 T150	E74-N99 PolarHBondContact O-N 3.13Å; E74-S149 WeakPolarHBondContact OE2-CB 3.21Å; E74-S149 PolarHBondContact OE2-OG 3.46Å; E74-T150 PolarHBondContact N-O 2.82Å; E74-T150 PolarHBondContact N-OG1 2.79Å
75	W	98.9	Very high	98	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.9	-172.9	-69	82.8	0	0	0	113	N99 M101 Q124 R126 L148 S149 T150 I151 A152	W75-N99 CarbonylContact C-O 3.52Å; W75-N99 VanDerWaalsContact CA-O 3.3Å; W75-N99 WeakPolarHBondContact CA-O 3.43Å; W75-N99 HydrophobicContact CD2-CB 3.43Å; W75-N99 VanDerWaalsContact CD2-CB 3.43Å; W75-N99 HydrophobicContact CE3-CB 3.47Å; W75-N99 VanDerWaalsContact CE3-CB 3.47Å; W75-N99 HydrophobicContact CG-CB 4.06Å; W75-N99 HydrophobicContact CH2-CB 3.81Å; W75-N99 HydrophobicContact CZ2-CB 3.78Å; W75-N99 HydrophobicContact CZ3-CB 3.67Å; W75-M101 HydrophobicContact CE3-CB 4.46Å; W75-Q124 HydrophobicContact CH2-CB 3.77Å; W75-Q124 HydrophobicContact CZ2-CB 4.14Å; W75-R126 HydrophobicContact CH2-CG 3.77Å; W75-R126 HydrophobicContact CZ3-CB 4.23Å; W75-R126 HydrophobicContact CZ3-CG 3.98Å; W75-L148 HydrophobicContact CB-CD1 4.11Å; W75-L148 HydrophobicContact CD2-CD1 4.34Å; W75-L148 HydrophobicContact CD2-CD2 3.59Å; W75-L148 HydrophobicContact CD2-CG 4.37Å; W75-L148 HydrophobicContact CE3-CD1 4.42Å; W75-L148 HydrophobicContact CE3-CD2 3.73Å; W75-L148 HydrophobicContact CG-CB 4.17Å; W75-L148 HydrophobicContact CG-CD1 4.2Å; W75-L148 HydrophobicContact CG-CD2 4.08Å; W75-L148 HydrophobicContact CG-CG 4.38Å; W75-L148 HydrophobicContact CH2-CD2 4.27Å; W75-L148 HydrophobicContact CZ2-CD2 4.13Å; W75-L148 HydrophobicContact CZ3-CD2 4.06Å; W75-S149 VanDerWaalsContact CD1-OG 3.22Å; W75-S149 PolarHBondContact NE1-OG 3.08Å; W75-T150 PolarHBondContact N-O 3.26Å; W75-I151 CarbonylContact O-C 3.55Å; W75-I151 WeakPolarHBondContact O-CA 3.37Å; W75-A152 PolarHBondContact O-N 3.19Å
76	A	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.1	157.7	0	0	0	0	0	110.6	L93 L98 N99 I100 M101 C153	A76-L93 HydrophobicContact CB-CB 4.31Å; A76-L93 HydrophobicContact CB-CD1 3.82Å; A76-L93 HydrophobicContact CB-CG 4.48Å; A76-L98 HydrophobicContact CB-CB 4.5Å; A76-L98 HydrophobicContact CB-CD2 4.3Å; A76-N99 PolarHBondContact N-O 2.72Å; A76-I100 HydrophobicContact CB-CD1 4.03Å; A76-I100 WeakPolarHBondContact O-CA 3.41Å; A76-M101 PolarHBondContact O-N 3.3Å; A76-C153 CarbonylContact C-O 3.58Å; A76-C153 VanDerWaalsContact CA-O 3.24Å; A76-C153 WeakPolarHBondContact CA-O 3.46Å; A76-C153 HydrophobicContact CB-CB 4.19Å
77	V	99	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.6	177	-177.7	0	0	0	0	108	M101 I103 I145 L148 I151 C153 L154 V155 M193 I197	V77-M101 HydrophobicContact CG1-CG 4.48Å; V77-M101 HydrophobicContact CG1-SD 4.45Å; V77-M101 HydrophobicContact CG2-CB 4.23Å; V77-I103 HydrophobicContact CG1-CD1 3.82Å; V77-I103 HydrophobicContact CG1-CG1 4.45Å; V77-I145 HydrophobicContact CB-CD1 4.33Å; V77-I145 HydrophobicContact CG1-CD1 3.82Å; V77-I145 HydrophobicContact CG2-CD1 3.56Å; V77-L148 HydrophobicContact CG2-CD1 3.89Å; V77-I151 HydrophobicContact CG2-CD1 4.37Å; V77-I151 HydrophobicContact CG2-CG2 4.14Å; V77-C153 PolarHBondContact N-O 3.25Å; V77-L154 HydrophobicContact CB-CD1 4.09Å; V77-L154 HydrophobicContact CG1-CD1 4.06Å; V77-L154 CarbonylContact O-C 3.58Å; V77-L154 WeakPolarHBondContact O-CA 3.4Å; V77-V155 PolarHBondContact O-N 3.34Å; V77-M193 HydrophobicContact CG1-CE 3.97Å; V77-I197 HydrophobicContact CB-CD1 4.07Å; V77-I197 HydrophobicContact CG1-CD1 4.04Å; V77-I197 HydrophobicContact CG2-CD1 4.06Å
78	V	99	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121	-176.8	-174	0	0	0	0	109.9	A81 G86 A90 L93 I100 M101 I103 V155	V78-A81 HydrophobicContact CB-CB 4.11Å; V78-A81 HydrophobicContact CG1-CB 3.96Å; V78-A81 WeakPolarHBondContact O-CB 3.44Å; V78-G86 WeakPolarHBondContact CG1-O 3.43Å; V78-A90 HydrophobicContact CB-CB 4.46Å; V78-A90 HydrophobicContact CG2-CB 4.28Å; V78-L93 HydrophobicContact CG2-CD1 4.03Å; V78-I100 HydrophobicContact CG2-CG2 4.45Å; V78-M101 PolarHBondContact N-O 2.99Å; V78-I103 PolarHBondContact O-N 3.49Å; V78-V155 HydrophobicContact CB-CB 4.42Å; V78-V155 HydrophobicContact CG1-CB 4.09Å; V78-V155 HydrophobicContact CG1-CG1 4.36Å; V78-V155 HydrophobicContact CG2-CB 4.15Å; V78-V155 HydrophobicContact CG2-CG2 4.15Å
79	T	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	146.1	176.6	67.4	0	0	0	0	111.7	A81 I103 F132 V155 N157 V158 M193	T79-A81 VanDerWaalsContact C-N 3.31Å; T79-I103 CarbonylContact C-O 3.58Å; T79-F132 HydrophobicContact CG2-CE2 4.2Å; T79-F132 HydrophobicContact CG2-CZ 3.79Å; T79-V155 PolarHBondContact N-O 3.09Å; T79-V155 PolarHBondContact OG1-O 3.47Å; T79-N157 VanDerWaalsContact O-CB 3.3Å; T79-N157 WeakPolarHBondContact O-CB 3.39Å; T79-N157 PolarHBondContact O-ND2 3.02Å; T79-N157 PolarHBondContact OG1-N 2.83Å; T79-V158 PolarHBondContact O-N 3.09Å; T79-V158 WeakPolarHBondContact OG1-CG1 3.36Å; T79-V158 PolarHBondContact OG1-N 3.47Å; T79-M193 HydrophobicContact CG2-CE 4.15Å; T79-M193 HydrophobicContact CG2-CG 4.09Å
80	G	98.5	Very high	98.5	Very high	11 Å²	11	28 Å²	28	11%	0.113	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	38.1	-173.5	0	0	0	0	0	111.7	I103 N157	G80-I103 PolarHBondContact N-O 2.95Å; G80-N157 PolarHBondContact O-ND2 2.81Å
81	A	98.6	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.5	-169.4	0	0	0	0	0	114.8	V78 T79 S83 E87 L102 I103 L110	V78-A81 HydrophobicContact CB-CB 4.11Å; V78-A81 HydrophobicContact CG1-CB 3.96Å; V78-A81 WeakPolarHBondContact O-CB 3.44Å; T79-A81 VanDerWaalsContact C-N 3.31Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-E87 WeakPolarHBondContact O-CA 3.38Å; A81-E87 WeakPolarHBondContact O-CB 3.43Å; A81-L102 HydrophobicContact CB-CB 3.83Å; A81-L102 HydrophobicContact CB-CD2 4.03Å; A81-L102 HydrophobicContact CB-CG 4.12Å; A81-I103 PolarHBondContact N-O 3.34Å; A81-L110 HydrophobicContact CB-CD1 4.24Å
82	S	97.8	Very high	98.6	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20	177.9	59	0	0	0	0	113.2	S104 Q109	S82-S104 PolarHBondContact OG-OG 2.87Å; S82-Q109 WeakPolarHBondContact O-CG 3.34Å; S82-Q109 PolarHBondContact O-NE2 3.04Å
83	S	97.8	Very high	98.7	Very high	35 Å²	35	13.4 Å²	13.4	25%	0.245	8%	0.076	C	C	.	.	S	Bend	trans	-156.4	168.2	176.9	68.5	0	0	0	0	114.4	A81 E87	A81-S83 VanDerWaalsContact C-N 3.32Å; S83-E87 WeakPolarHBondContact CA-OE2 3.3Å; S83-E87 PolarHBondContact O-N 3.42Å
84	G	98.2	Very high	98.7	Very high	14 Å²	14	13.3 Å²	13.3	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	64.4	-135.3	166	0	0	0	0	0	113.1	G86 A88 A279	G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 3.5Å; G84-A88 WeakPolarHBondContact O-CB 3.34Å; G84-A88 PolarHBondContact O-N 3.33Å; G84-A279 VanDerWaalsContact C-CB 3.45Å; G84-A279 WeakPolarHBondContact O-CB 3.47Å
85	I	98.7	Very high	98.7	Very high	21 Å²	21	14 Å²	14	11%	0.108	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-41.2	-175.3	-66.4	173.1	0	0	0	111.1	A88 Y89 N157 P259 V262 T264 Y282	I85-A88 PolarHBondContact O-N 2.92Å; I85-Y89 HydrophobicContact CG2-CD2 3.58Å; I85-Y89 HydrophobicContact CG2-CE2 3.74Å; I85-Y89 WeakPolarHBondContact O-CD2 3.46Å; I85-Y89 PolarHBondContact O-N 3.48Å; I85-N157 WeakPolarHBondContact CB-OD1 3.44Å; I85-N157 WeakPolarHBondContact CG2-OD1 3.2Å; I85-P259 HydrophobicContact CD1-CG 4.48Å; I85-V262 HydrophobicContact CD1-CB 4.07Å; I85-V262 HydrophobicContact CD1-CG1 4.27Å; I85-V262 HydrophobicContact CD1-CG2 3.98Å; I85-V262 HydrophobicContact CG1-CB 4.37Å; I85-V262 HydrophobicContact CG1-CG1 4.03Å; I85-T264 HydrophobicContact CG1-CG2 4.18Å; I85-Y282 HydrophobicContact CD1-CD1 3.95Å; I85-Y282 HydrophobicContact CD1-CE1 3.91Å; I85-Y282 HydrophobicContact CG1-CD1 3.92Å; I85-Y282 HydrophobicContact CG1-CE1 4.28Å; I85-Y282 HydrophobicContact CG2-CD1 4Å; I85-Y282 HydrophobicContact CG2-CE1 3.9Å
86	G	98.8	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-49	-179.6	0	0	0	0	0	112.3	V78 G84 A88 Y89 A90 N157	V78-G86 WeakPolarHBondContact CG1-O 3.43Å; G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 3.5Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 2.77Å; G86-Y89 PolarHBondContact O-N 3.12Å; G86-A90 PolarHBondContact O-N 3.38Å; G86-N157 WeakPolarHBondContact CA-ND2 3.5Å; G86-N157 PolarHBondContact N-ND2 2.65Å; G86-N157 PolarHBondContact N-OD1 2.75Å
87	E	98.8	Very high	98.6	Very high	44 Å²	44	17.6 Å²	17.6	21%	0.206	10%	0.101	C	C	.	.	H	α-helix	trans	-55.3	-46.2	173.4	176.1	-177	-174.6	0	0	111.5	A81 S83 Y89 A90 E91 V113 R116	A81-E87 WeakPolarHBondContact O-CA 3.38Å; A81-E87 WeakPolarHBondContact O-CB 3.43Å; S83-E87 WeakPolarHBondContact CA-OE2 3.3Å; S83-E87 PolarHBondContact O-N 3.42Å; E87-Y89 PolarHBondContact O-N 2.68Å; E87-A90 WeakPolarHBondContact O-CB 3.48Å; E87-A90 PolarHBondContact O-N 2.97Å; E87-E91 PolarHBondContact O-N 3.01Å; E87-V113 HydrophobicContact CG-CG1 3.86Å; E87-V113 HydrophobicContact CG-CG2 3.98Å; E87-R116 IonicContact OE1-CZ 2.74Å; E87-R116 IonicContact OE1-NH2 2.74Å; E87-R116 PolarHBondContact OE1-NH2 3Å
88	A	98.9	Very high	98.6	Very high	7 Å²	7	17.7 Å²	17.7	6%	0.058	10%	0.101	C	C	.	.	H	α-helix	trans	-66.7	-34.9	-179.8	0	0	0	0	0	113.1	G84 I85 G86 E92 A279 A283	G84-A88 WeakPolarHBondContact O-CB 3.34Å; G84-A88 PolarHBondContact O-N 3.33Å; I85-A88 PolarHBondContact O-N 2.92Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 2.77Å; A88-E92 WeakPolarHBondContact O-CG 3.25Å; A88-E92 PolarHBondContact O-N 3.17Å; A88-A279 VanDerWaalsContact CB-C 3.48Å; A88-A279 HydrophobicContact CB-CB 3.94Å; A88-A279 WeakPolarHBondContact CB-O 3.15Å; A88-A283 HydrophobicContact CB-CB 3.56Å
89	Y	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.2	-45.2	172.2	-101.3	-86.1	0	0	0	111.6	I85 G86 E87 E91 E92 L93 V155 I212 I214 Y282 A283 S286 L287	I85-Y89 HydrophobicContact CG2-CD2 3.58Å; I85-Y89 HydrophobicContact CG2-CE2 3.74Å; I85-Y89 WeakPolarHBondContact O-CD2 3.46Å; I85-Y89 PolarHBondContact O-N 3.48Å; G86-Y89 PolarHBondContact O-N 3.12Å; E87-Y89 PolarHBondContact O-N 2.68Å; Y89-E91 VanDerWaalsContact C-N 3.28Å; Y89-E91 PolarHBondContact O-N 2.94Å; Y89-E92 PolarHBondContact O-N 3.48Å; Y89-L93 HydrophobicContact CD1-CD1 4.43Å; Y89-L93 WeakPolarHBondContact O-CB 3.36Å; Y89-L93 WeakPolarHBondContact O-CD1 3.39Å; Y89-L93 VanDerWaalsContact O-CG 3.25Å; Y89-L93 WeakPolarHBondContact O-CG 3.45Å; Y89-L93 PolarHBondContact O-N 3.38Å; Y89-V155 HydrophobicContact CD1-CG1 4.06Å; Y89-V155 HydrophobicContact CD1-CG2 3.88Å; Y89-V155 HydrophobicContact CD2-CG1 4.35Å; Y89-V155 HydrophobicContact CE1-CG1 4.4Å; Y89-V155 HydrophobicContact CE1-CG2 4.39Å; Y89-V155 HydrophobicContact CG-CG1 4Å; Y89-V155 HydrophobicContact CG-CG2 4.44Å; Y89-I212 HydrophobicContact CE1-CD1 3.88Å; Y89-I212 HydrophobicContact CE1-CG2 4.31Å; Y89-I214 HydrophobicContact CE2-CD1 3.87Å; Y89-Y282 HydrophobicContact CE2-CE1 4.36Å; Y89-A283 HydrophobicContact CD2-CB 3.86Å; Y89-A283 HydrophobicContact CE2-CB 4.25Å; Y89-A283 HydrophobicContact CG-CB 4.26Å; Y89-S286 WeakPolarHBondContact OH-CB 3.32Å; Y89-S286 PolarHBondContact OH-OG 2.89Å; Y89-L287 HydrophobicContact CD1-CD1 3.87Å; Y89-L287 HydrophobicContact CD1-CD2 3.9Å; Y89-L287 HydrophobicContact CD1-CG 3.77Å; Y89-L287 HydrophobicContact CE1-CD1 4.13Å; Y89-L287 HydrophobicContact CE1-CD2 3.58Å; Y89-L287 HydrophobicContact CE1-CG 3.49Å; Y89-L287 VanDerWaalsContact CE1-CG 3.49Å
90	A	99	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.5	-45	175.7	0	0	0	0	0	110.9	V78 G86 E87 A94 I100 L102 I117	V78-A90 HydrophobicContact CB-CB 4.46Å; V78-A90 HydrophobicContact CG2-CB 4.28Å; G86-A90 PolarHBondContact O-N 3.38Å; E87-A90 WeakPolarHBondContact O-CB 3.48Å; E87-A90 PolarHBondContact O-N 2.97Å; A90-A94 WeakPolarHBondContact O-CB 3.45Å; A90-A94 PolarHBondContact O-N 2.82Å; A90-I100 HydrophobicContact CB-CG2 3.91Å; A90-L102 HydrophobicContact CB-CD2 4.3Å; A90-I117 HydrophobicContact CB-CD1 3.73Å
91	E	98.9	Very high	98.6	Very high	20 Å²	20	18.4 Å²	18.4	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-47	177.6	-164	-179.2	137.6	0	0	112.7	E87 Y89 L93 A94 K95 R116 Y121 K280	E87-E91 PolarHBondContact O-N 3.01Å; Y89-E91 VanDerWaalsContact C-N 3.28Å; Y89-E91 PolarHBondContact O-N 2.94Å; E91-L93 PolarHBondContact O-N 3.4Å; E91-A94 PolarHBondContact O-N 2.71Å; E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 PolarHBondContact O-N 3.42Å; E91-R116 IonicContact OE2-CZ 2.75Å; E91-R116 IonicContact OE2-NH1 2.71Å; E91-R116 PolarHBondContact OE2-NH1 3.35Å; E91-R116 IonicContact OE2-NH2 3.7Å; E91-Y121 HydrophobicContact CG-CE2 3.54Å; E91-Y121 WeakPolarHBondContact CG-OH 3.47Å; E91-Y121 PolarHBondContact OE1-OH 2.72Å; E91-Y121 VanDerWaalsContact OE1-OH 3.12Å; E91-K280 IonicContact OE1-NZ 2.7Å; E91-K280 PolarHBondContact OE1-NZ 2.98Å
92	E	98.8	Very high	98.6	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-31.5	-179.6	-74	-74.4	135.5	0	0	112.8	R66 A88 Y89 K95 E96 A283 K284 L287	R66-E92 IonicContact CZ-OE2 2.81Å; R66-E92 IonicContact NH1-OE2 2.65Å; R66-E92 PolarHBondContact NH1-OE2 2.84Å; R66-E92 IonicContact NH2-OE2 3.77Å; R66-E92 PolarHBondContact NH2-OE2 3.42Å; A88-E92 WeakPolarHBondContact O-CG 3.25Å; A88-E92 PolarHBondContact O-N 3.17Å; Y89-E92 PolarHBondContact O-N 3.48Å; E92-K95 WeakPolarHBondContact O-CB 3.32Å; E92-E96 PolarHBondContact O-N 3.2Å; E92-A283 HydrophobicContact CG-CB 4.39Å; E92-K284 HydrophobicContact CG-CB 4.21Å; E92-K284 WeakPolarHBondContact OE2-CG 3.35Å; E92-L287 HydrophobicContact CB-CD1 3.39Å; E92-L287 HydrophobicContact CG-CD1 4.43Å
93	L	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-72.1	-39.5	173.7	-71.8	165.2	0	0	0	111.5	L69 A76 V78 Y89 E91 K95 E96 L98 I100 V155 L287	L69-L93 HydrophobicContact CD1-CD2 3.76Å; A76-L93 HydrophobicContact CB-CB 4.31Å; A76-L93 HydrophobicContact CB-CD1 3.82Å; A76-L93 HydrophobicContact CB-CG 4.48Å; V78-L93 HydrophobicContact CG2-CD1 4.03Å; Y89-L93 HydrophobicContact CD1-CD1 4.43Å; Y89-L93 WeakPolarHBondContact O-CB 3.36Å; Y89-L93 WeakPolarHBondContact O-CD1 3.39Å; Y89-L93 VanDerWaalsContact O-CG 3.25Å; Y89-L93 WeakPolarHBondContact O-CG 3.45Å; Y89-L93 PolarHBondContact O-N 3.38Å; E91-L93 PolarHBondContact O-N 3.4Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.45Å; L93-E96 WeakPolarHBondContact O-CB 3.4Å; L93-E96 PolarHBondContact O-N 2.9Å; L93-E96 VanDerWaalsContact O-N 3.08Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-L98 VanDerWaalsContact O-CD1 3.24Å; L93-L98 WeakPolarHBondContact O-CD1 3.42Å; L93-L98 PolarHBondContact O-N 3.08Å; L93-I100 HydrophobicContact CB-CD1 3.78Å; L93-V155 HydrophobicContact CD1-CG2 3.81Å; L93-L287 HydrophobicContact CD2-CD1 4.28Å; L93-L287 HydrophobicContact CD2-CD2 3.92Å; L93-L287 HydrophobicContact CG-CD1 4.09Å; L93-L287 HydrophobicContact CG-CD2 4.41Å
94	A	98.9	Very high	98.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-37.5	173.4	0	0	0	0	0	111.7	A90 E91 E96 G97 I100 I117 Y121 V123	A90-A94 WeakPolarHBondContact O-CB 3.45Å; A90-A94 PolarHBondContact O-N 2.82Å; E91-A94 PolarHBondContact O-N 2.71Å; A94-E96 PolarHBondContact O-N 2.99Å; A94-G97 VanDerWaalsContact O-CA 3.32Å; A94-G97 WeakPolarHBondContact O-CA 3.49Å; A94-G97 PolarHBondContact O-N 3.02Å; A94-I100 HydrophobicContact CB-CD1 4.21Å; A94-I100 HydrophobicContact CB-CG1 3.86Å; A94-I117 HydrophobicContact CB-CG2 3.4Å; A94-Y121 HydrophobicContact CB-CD2 3.77Å; A94-Y121 HydrophobicContact CB-CE2 4.49Å; A94-Y121 HydrophobicContact CB-CG 4.07Å; A94-V123 HydrophobicContact CB-CG2 3.91Å
95	K	98.5	Very high	98.6	Very high	122 Å²	122	20.7 Å²	20.7	53%	0.53	11%	0.109	S	C	.	.	H	α-helix	trans	-61.8	-28	174	-174.1	177.1	177.5	-180	0	113.6	E91 E92 L93 G97 Y121	E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 PolarHBondContact O-N 3.42Å; E92-K95 WeakPolarHBondContact O-CB 3.32Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.45Å; K95-G97 PolarHBondContact O-N 2.68Å; K95-Y121 HydrophobicContact CB-CD1 3.98Å; K95-Y121 HydrophobicContact CB-CE1 3.62Å; K95-Y121 HydrophobicContact CD-CE1 4.31Å; K95-Y121 HydrophobicContact CG-CD1 4.33Å; K95-Y121 HydrophobicContact CG-CE1 3.84Å
96	E	97.3	Very high	98.5	Very high	52 Å²	52	22.7 Å²	22.7	24%	0.243	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.8	170.8	-61.1	-61.7	144.6	0	0	112.7	R66 R70 E92 L93 A94 L98	R66-E96 IonicContact CZ-OE1 3.75Å; R66-E96 VanDerWaalsContact CZ-OE1 3.24Å; R66-E96 IonicContact NE-OE1 2.72Å; R66-E96 PolarHBondContact NE-OE1 3.41Å; R66-E96 IonicContact NH2-OE1 3.45Å; R66-E96 PolarHBondContact NH2-OE1 3.46Å; R70-E96 WeakPolarHBondContact CD-O 3.47Å; E92-E96 PolarHBondContact O-N 3.2Å; L93-E96 WeakPolarHBondContact O-CB 3.4Å; L93-E96 PolarHBondContact O-N 2.9Å; L93-E96 VanDerWaalsContact O-N 3.08Å; A94-E96 PolarHBondContact O-N 2.99Å; E96-L98 HydrophobicContact CB-CD1 3.68Å
97	G	98	Very high	98.5	Very high	28 Å²	28	28.4 Å²	28.4	29%	0.289	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	21.6	177.4	0	0	0	0	0	114.7	A94 K95	A94-G97 VanDerWaalsContact O-CA 3.32Å; A94-G97 WeakPolarHBondContact O-CA 3.49Å; A94-G97 PolarHBondContact O-N 3.02Å; K95-G97 PolarHBondContact O-N 2.68Å
98	L	98.8	Very high	98.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.174	C	C	.	.			trans	-87.5	143.5	173.4	-65.6	102.8	0	0	0	111.3	L69 A76 L93 E96 I100 A152	L69-L98 HydrophobicContact CB-CD1 4.11Å; A76-L98 HydrophobicContact CB-CB 4.5Å; A76-L98 HydrophobicContact CB-CD2 4.3Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-L98 VanDerWaalsContact O-CD1 3.24Å; L93-L98 WeakPolarHBondContact O-CD1 3.42Å; L93-L98 PolarHBondContact O-N 3.08Å; E96-L98 HydrophobicContact CB-CD1 3.68Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; L98-A152 HydrophobicContact CD2-CB 3.27Å
99	N	98.9	Very high	98.4	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.139	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	146	164.6	-61.2	-38.9	0	0	0	109.4	E74 W75 A76 Q124	E74-N99 PolarHBondContact O-N 3.13Å; W75-N99 CarbonylContact C-O 3.52Å; W75-N99 VanDerWaalsContact CA-O 3.3Å; W75-N99 WeakPolarHBondContact CA-O 3.43Å; W75-N99 HydrophobicContact CD2-CB 3.43Å; W75-N99 VanDerWaalsContact CD2-CB 3.43Å; W75-N99 HydrophobicContact CE3-CB 3.47Å; W75-N99 VanDerWaalsContact CE3-CB 3.47Å; W75-N99 HydrophobicContact CG-CB 4.06Å; W75-N99 HydrophobicContact CH2-CB 3.81Å; W75-N99 HydrophobicContact CZ2-CB 3.78Å; W75-N99 HydrophobicContact CZ3-CB 3.67Å; A76-N99 PolarHBondContact N-O 2.72Å; N99-Q124 CarbonylContact C-O 3.21Å; N99-Q124 VanDerWaalsContact CA-O 3.27Å; N99-Q124 WeakPolarHBondContact CA-O 3.46Å; N99-Q124 HydrophobicContact CB-CB 4.11Å; N99-Q124 WeakPolarHBondContact CB-O 3.48Å; N99-Q124 WeakPolarHBondContact OD1-CB 3.19Å; N99-Q124 PolarHBondContact OD1-N 2.84Å
100	I	98.9	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.1	-172.4	-48.8	-60.9	0	0	0	111.3	A76 V78 A90 L93 A94 L98 L102 I117 Q124 T125 R126	A76-I100 HydrophobicContact CB-CD1 4.03Å; A76-I100 WeakPolarHBondContact O-CA 3.41Å; V78-I100 HydrophobicContact CG2-CG2 4.45Å; A90-I100 HydrophobicContact CB-CG2 3.91Å; L93-I100 HydrophobicContact CB-CD1 3.78Å; A94-I100 HydrophobicContact CB-CD1 4.21Å; A94-I100 HydrophobicContact CB-CG1 3.86Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; I100-L102 HydrophobicContact CB-CD1 4.01Å; I100-L102 HydrophobicContact CG2-CD1 3.67Å; I100-L102 HydrophobicContact CG2-CG 3.76Å; I100-I117 HydrophobicContact CG1-CG2 4.22Å; I100-Q124 PolarHBondContact N-O 3.42Å; I100-T125 HydrophobicContact CB-CG2 4.39Å; I100-T125 CarbonylContact O-C 3.52Å; I100-T125 VanDerWaalsContact O-CA 3.23Å; I100-T125 WeakPolarHBondContact O-CA 3.41Å; I100-R126 PolarHBondContact O-N 3.3Å
101	M	98.9	Very high	98.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.8	159.8	179	173.1	-79.8	0	0	109.3	W75 A76 V77 V78 I103 R126 V128 A144 I145 L148	W75-M101 HydrophobicContact CE3-CB 4.46Å; A76-M101 PolarHBondContact O-N 3.3Å; V77-M101 HydrophobicContact CG1-CG 4.48Å; V77-M101 HydrophobicContact CG1-SD 4.45Å; V77-M101 HydrophobicContact CG2-CB 4.23Å; V78-M101 PolarHBondContact N-O 2.99Å; M101-I103 HydrophobicContact CG-CD1 4.44Å; M101-I103 HydrophobicContact CG-CG1 4.09Å; M101-I103 HydrophobicContact SD-CD1 4.3Å; M101-R126 CarbonylContact C-O 3.53Å; M101-R126 VanDerWaalsContact CA-O 3.3Å; M101-R126 WeakPolarHBondContact CA-O 3.4Å; M101-R126 HydrophobicContact CE-CB 4.3Å; M101-V128 HydrophobicContact CE-CG2 4.2Å; M101-V128 HydrophobicContact CG-CG2 4.31Å; M101-V128 HydrophobicContact SD-CG2 4.02Å; M101-A144 HydrophobicContact CE-CB 3.98Å; M101-A144 WeakPolarHBondContact CE-O 3.2Å; M101-I145 HydrophobicContact CE-CD1 4.45Å; M101-I145 HydrophobicContact SD-CD1 3.37Å; M101-I145 WeakPolarHBondContact SD-CD1 3.49Å; M101-I145 HydrophobicContact SD-CG1 4.05Å; M101-L148 HydrophobicContact CB-CD1 4.18Å; M101-L148 HydrophobicContact CE-CD1 3.77Å; M101-L148 HydrophobicContact CE-CD2 3.65Å; M101-L148 HydrophobicContact CE-CG 3.82Å; M101-L148 HydrophobicContact SD-CD1 3.99Å
102	L	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.3	178.8	-59.7	91.7	0	0	0	109.3	A81 A90 I100 L110 V113 A114 I117 T125 R126 I127 V128	A81-L102 HydrophobicContact CB-CB 3.83Å; A81-L102 HydrophobicContact CB-CD2 4.03Å; A81-L102 HydrophobicContact CB-CG 4.12Å; A90-L102 HydrophobicContact CB-CD2 4.3Å; I100-L102 HydrophobicContact CB-CD1 4.01Å; I100-L102 HydrophobicContact CG2-CD1 3.67Å; I100-L102 HydrophobicContact CG2-CG 3.76Å; L102-L110 HydrophobicContact CB-CD1 3.53Å; L102-L110 HydrophobicContact CB-CG 4.12Å; L102-L110 HydrophobicContact CD2-CD1 4.29Å; L102-V113 HydrophobicContact CD2-CB 4.22Å; L102-V113 HydrophobicContact CD2-CG1 3.54Å; L102-A114 HydrophobicContact CD1-CB 3.95Å; L102-I117 HydrophobicContact CD2-CD1 4.21Å; L102-T125 HydrophobicContact CD1-CG2 4.19Å; L102-R126 PolarHBondContact N-O 3.31Å; L102-I127 CarbonylContact O-C 3.36Å; L102-I127 WeakPolarHBondContact O-CA 2.96Å; L102-V128 PolarHBondContact O-N 3.22Å
103	I	98.9	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125	178.8	-45.4	-177.4	0	0	0	109.3	V77 V78 T79 G80 A81 M101 V128 A130 F132 I141 M193	V77-I103 HydrophobicContact CG1-CD1 3.82Å; V77-I103 HydrophobicContact CG1-CG1 4.45Å; V78-I103 PolarHBondContact O-N 3.49Å; T79-I103 CarbonylContact C-O 3.58Å; G80-I103 PolarHBondContact N-O 2.95Å; A81-I103 PolarHBondContact N-O 3.34Å; M101-I103 HydrophobicContact CG-CD1 4.44Å; M101-I103 HydrophobicContact CG-CG1 4.09Å; M101-I103 HydrophobicContact SD-CD1 4.3Å; I103-V128 WeakPolarHBondContact CA-O 3.39Å; I103-V128 HydrophobicContact CG1-CB 4.17Å; I103-V128 HydrophobicContact CG2-CB 4.21Å; I103-V128 WeakPolarHBondContact CG2-O 3.3Å; I103-A130 HydrophobicContact CG2-CB 3.92Å; I103-F132 HydrophobicContact CB-CE2 4.3Å; I103-F132 HydrophobicContact CB-CZ 4.45Å; I103-F132 HydrophobicContact CG2-CE2 3.57Å; I103-F132 HydrophobicContact CG2-CZ 3.73Å; I103-I141 HydrophobicContact CD1-CG1 4.36Å; I103-I141 HydrophobicContact CD1-CG2 4.03Å; I103-I141 HydrophobicContact CG2-CD1 4.08Å; I103-I141 HydrophobicContact CG2-CG1 4.28Å; I103-M193 HydrophobicContact CD1-CE 3.72Å
104	S	98.5	Very high	98.4	Very high	7 Å²	7	40.7 Å²	40.7	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	169.8	175.5	-157.8	0	0	0	0	110.1	S82 V128 V129 A130	S82-S104 PolarHBondContact OG-OG 2.87Å; S104-V128 PolarHBondContact N-O 2.75Å; S104-V129 CarbonylContact O-C 3.54Å; S104-V129 VanDerWaalsContact O-CA 3.24Å; S104-V129 WeakPolarHBondContact O-CA 3.39Å; S104-A130 CarbonylContact C-O 3.57Å; S104-A130 PolarHBondContact O-N 2.87Å
105	N	97.1	Very high	98.4	Very high	98 Å²	98	45.6 Å²	45.6	52%	0.524	24%	0.24	S	C	.	.	S	Bend	trans	-90.6	-11.8	178.3	63.8	-14.7	0	0	0	114.3	A130 D131	N105-A130 PolarHBondContact N-O 3.45Å; N105-D131 HydrophobicContact CB-CB 4.17Å
106	D	96.6	Very high	98.4	Very high	63 Å²	63	43.6 Å²	43.6	34%	0.337	23%	0.229	S	C	.	.			trans	-96.3	89.1	-179.1	-177.5	-17.3	0	0	0	109.9	E108 Q109 L110	D106-E108 PolarHBondContact O-N 2.84Å; D106-Q109 HydrophobicContact CB-CB 4.31Å; D106-Q109 VanDerWaalsContact OD1-CB 3.29Å; D106-Q109 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q109 PolarHBondContact OD1-N 3.12Å; D106-Q109 VanDerWaalsContact OD1-N 3.1Å; D106-Q109 WeakPolarHBondContact OD2-CB 3.36Å; D106-L110 WeakPolarHBondContact O-CB 3.23Å; D106-L110 PolarHBondContact O-N 3.42Å
107	E	98.2	Very high	98.5	Very high	119 Å²	119	41.1 Å²	41.1	56%	0.556	22%	0.218	S	C	*	.	H	α-helix	trans	-59.4	-43.8	-173.8	-179.6	171.6	-170.5	0	0	113.4	L110 S111 V129	E107-L110 PolarHBondContact O-N 3.48Å; E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.46Å; E107-S111 PolarHBondContact O-N 3.23Å; E107-S111 PolarHBondContact O-OG 2.87Å; E107-V129 HydrophobicContact CB-CG1 4.14Å; E107-V129 HydrophobicContact CB-CG2 3.67Å; E107-V129 HydrophobicContact CG-CG2 3.66Å
108	E	98.4	Very high	98.5	Very high	166 Å²	166	41 Å²	41	78%	0.776	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-52.9	-177.7	-176.2	-175.3	172	0	0	110.3	D106 L110 S111 C112	D106-E108 PolarHBondContact O-N 2.84Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.93Å; E108-S111 PolarHBondContact O-N 3.33Å; E108-C112 PolarHBondContact O-N 3.05Å
109	Q	98.2	Very high	98.5	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-39.3	179.1	-177.5	64.8	30.3	0	0	111.3	S82 D106 S111 C112 V113	S82-Q109 WeakPolarHBondContact O-CG 3.34Å; S82-Q109 PolarHBondContact O-NE2 3.04Å; D106-Q109 HydrophobicContact CB-CB 4.31Å; D106-Q109 VanDerWaalsContact OD1-CB 3.29Å; D106-Q109 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q109 PolarHBondContact OD1-N 3.12Å; D106-Q109 VanDerWaalsContact OD1-N 3.1Å; D106-Q109 WeakPolarHBondContact OD2-CB 3.36Å; Q109-S111 VanDerWaalsContact C-N 3.34Å; Q109-S111 PolarHBondContact O-N 2.9Å; Q109-C112 PolarHBondContact O-N 3.34Å; Q109-V113 WeakPolarHBondContact O-CG2 3.44Å; Q109-V113 PolarHBondContact O-N 2.84Å
110	L	98.4	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-42.2	178.9	-165.2	66.2	0	0	0	111.5	A81 L102 D106 E107 E108 V113 A114 I127	A81-L110 HydrophobicContact CB-CD1 4.24Å; L102-L110 HydrophobicContact CB-CD1 3.53Å; L102-L110 HydrophobicContact CB-CG 4.12Å; L102-L110 HydrophobicContact CD2-CD1 4.29Å; D106-L110 WeakPolarHBondContact O-CB 3.23Å; D106-L110 PolarHBondContact O-N 3.42Å; E107-L110 PolarHBondContact O-N 3.48Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.93Å; L110-V113 PolarHBondContact O-N 2.83Å; L110-A114 VanDerWaalsContact O-CB 3.31Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.02Å; L110-I127 HydrophobicContact CD2-CB 3.88Å; L110-I127 HydrophobicContact CD2-CG2 4.3Å; L110-I127 HydrophobicContact CG-CB 4.12Å; L110-I127 HydrophobicContact CG-CG2 3.96Å
111	S	98.7	Very high	98.5	Very high	34 Å²	34	52.3 Å²	52.3	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-43.7	176	-61	0	0	0	0	111.7	E107 E108 Q109 V113 A114 N115 I127	E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.46Å; E107-S111 PolarHBondContact O-N 3.23Å; E107-S111 PolarHBondContact O-OG 2.87Å; E108-S111 PolarHBondContact O-N 3.33Å; Q109-S111 VanDerWaalsContact C-N 3.34Å; Q109-S111 PolarHBondContact O-N 2.9Å; S111-V113 PolarHBondContact O-N 2.85Å; S111-A114 PolarHBondContact O-N 3.3Å; S111-N115 WeakPolarHBondContact O-CB 3.31Å; S111-N115 VanDerWaalsContact O-CG 3.28Å; S111-N115 PolarHBondContact O-N 3.04Å; S111-N115 PolarHBondContact O-ND2 3.05Å; S111-I127 WeakPolarHBondContact OG-CD1 3.39Å
112	C	98.7	Very high	98.5	Very high	72 Å²	72	59.5 Å²	59.5	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-58.5	-47.9	175.2	-178.8	0	0	0	0	111.8	E108 Q109 R116	E108-C112 PolarHBondContact O-N 3.05Å; Q109-C112 PolarHBondContact O-N 3.34Å; C112-R116 WeakPolarHBondContact O-CB 3.39Å; C112-R116 PolarHBondContact O-N 3.35Å
113	V	98.8	Very high	98.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-45.9	177.2	174.2	0	0	0	0	111.2	E87 L102 Q109 L110 S111 N115 R116 I117	E87-V113 HydrophobicContact CG-CG1 3.86Å; E87-V113 HydrophobicContact CG-CG2 3.98Å; L102-V113 HydrophobicContact CD2-CB 4.22Å; L102-V113 HydrophobicContact CD2-CG1 3.54Å; Q109-V113 WeakPolarHBondContact O-CG2 3.44Å; Q109-V113 PolarHBondContact O-N 2.84Å; L110-V113 PolarHBondContact O-N 2.83Å; S111-V113 PolarHBondContact O-N 2.85Å; V113-N115 PolarHBondContact O-N 3.39Å; V113-R116 PolarHBondContact O-N 3.13Å; V113-I117 HydrophobicContact CG1-CD1 3.74Å; V113-I117 HydrophobicContact CG1-CG1 4.37Å; V113-I117 WeakPolarHBondContact O-CB 3.18Å; V113-I117 WeakPolarHBondContact O-CG1 3.33Å; V113-I117 PolarHBondContact O-N 3.27Å
114	A	98.9	Very high	98.4	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-45.1	-179.8	0	0	0	0	0	112.3	L102 L110 S111 I117 A118 T125 I127	L102-A114 HydrophobicContact CD1-CB 3.95Å; L110-A114 VanDerWaalsContact O-CB 3.31Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.02Å; S111-A114 PolarHBondContact O-N 3.3Å; A114-I117 PolarHBondContact O-N 3.08Å; A114-A118 WeakPolarHBondContact O-CB 3.3Å; A114-A118 PolarHBondContact O-N 3.22Å; A114-T125 WeakPolarHBondContact O-CG2 3.17Å; A114-T125 PolarHBondContact O-OG1 2.9Å; A114-I127 HydrophobicContact CB-CG2 3.5Å; A114-I127 VanDerWaalsContact CB-CG2 3.5Å
115	N	98.8	Very high	98.5	Very high	104 Å²	104	67 Å²	67	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-65	-42.8	177.7	-72.7	-22	0	0	0	111.7	S111 V113 I117 A118 T119	S111-N115 WeakPolarHBondContact O-CB 3.31Å; S111-N115 VanDerWaalsContact O-CG 3.28Å; S111-N115 PolarHBondContact O-N 3.04Å; S111-N115 PolarHBondContact O-ND2 3.05Å; V113-N115 PolarHBondContact O-N 3.39Å; N115-I117 PolarHBondContact O-N 3.32Å; N115-A118 PolarHBondContact O-N 2.77Å; N115-T119 WeakPolarHBondContact O-CB 3.24Å; N115-T119 PolarHBondContact O-N 2.98Å; N115-T119 PolarHBondContact O-OG1 2.9Å
116	R	98.8	Very high	98.5	Very high	80 Å²	80	66.3 Å²	66.3	30%	0.302	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-44.4	177	-177	173.5	61.5	75.8	-2.9	111.5	E87 E91 C112 V113 T120	E87-R116 IonicContact OE1-CZ 2.74Å; E87-R116 IonicContact OE1-NH2 2.74Å; E87-R116 PolarHBondContact OE1-NH2 3Å; E91-R116 IonicContact OE2-CZ 2.75Å; E91-R116 IonicContact OE2-NH1 2.71Å; E91-R116 PolarHBondContact OE2-NH1 3.35Å; E91-R116 IonicContact OE2-NH2 3.7Å; C112-R116 WeakPolarHBondContact O-CB 3.39Å; C112-R116 PolarHBondContact O-N 3.35Å; V113-R116 PolarHBondContact O-N 3.13Å; R116-T120 VanDerWaalsContact O-CB 3.23Å; R116-T120 WeakPolarHBondContact O-CB 3.35Å; R116-T120 PolarHBondContact O-N 2.88Å; R116-T120 PolarHBondContact O-OG1 2.79Å
117	I	98.9	Very high	98.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-49.7	178	-74.7	175.2	0	0	0	111.1	A90 A94 I100 L102 V113 A114 N115 T119 T120 Y121 V123 T125	A90-I117 HydrophobicContact CB-CD1 3.73Å; A94-I117 HydrophobicContact CB-CG2 3.4Å; I100-I117 HydrophobicContact CG1-CG2 4.22Å; L102-I117 HydrophobicContact CD2-CD1 4.21Å; V113-I117 HydrophobicContact CG1-CD1 3.74Å; V113-I117 HydrophobicContact CG1-CG1 4.37Å; V113-I117 WeakPolarHBondContact O-CB 3.18Å; V113-I117 WeakPolarHBondContact O-CG1 3.33Å; V113-I117 PolarHBondContact O-N 3.27Å; A114-I117 PolarHBondContact O-N 3.08Å; N115-I117 PolarHBondContact O-N 3.32Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.4Å; I117-T120 PolarHBondContact O-N 3.16Å; I117-Y121 HydrophobicContact CG2-CD2 4.35Å; I117-Y121 WeakPolarHBondContact O-CD2 3.34Å; I117-Y121 PolarHBondContact O-N 3.22Å; I117-V123 HydrophobicContact CG2-CG2 4.01Å; I117-T125 HydrophobicContact CB-CG2 4.17Å; I117-T125 HydrophobicContact CG2-CG2 3.77Å
118	A	98.8	Very high	98.7	Very high	26 Å²	26	61.2 Å²	61.2	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-57	-46.7	179.2	0	0	0	0	0	111.4	A114 N115 N122 V123 T125	A114-A118 WeakPolarHBondContact O-CB 3.3Å; A114-A118 PolarHBondContact O-N 3.22Å; N115-A118 PolarHBondContact O-N 2.77Å; A118-N122 WeakPolarHBondContact O-CA 2.87Å; A118-N122 PolarHBondContact O-N 2.96Å; A118-V123 WeakPolarHBondContact CA-O 3.14Å; A118-V123 WeakPolarHBondContact CB-O 3.27Å; A118-T125 HydrophobicContact CB-CG2 4.01Å
119	T	98.6	Very high	98.7	Very high	120 Å²	120	55.8 Å²	55.8	74%	0.736	30%	0.299	S	S	*	.	H	α-helix	trans	-67.4	-43.2	-179.5	-53.1	0	0	0	0	112.3	N115 I117	N115-T119 WeakPolarHBondContact O-CB 3.24Å; N115-T119 PolarHBondContact O-N 2.98Å; N115-T119 PolarHBondContact O-OG1 2.9Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.4Å
120	T	98.8	Very high	98.7	Very high	86 Å²	86	53.1 Å²	53.1	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-73	-37.2	-173.9	-56	0	0	0	0	112.4	R116 I117	R116-T120 VanDerWaalsContact O-CB 3.23Å; R116-T120 WeakPolarHBondContact O-CB 3.35Å; R116-T120 PolarHBondContact O-N 2.88Å; R116-T120 PolarHBondContact O-OG1 2.79Å; I117-T120 PolarHBondContact O-N 3.16Å
121	Y	98.5	Very high	98.7	Very high	58 Å²	58	55.8 Å²	55.8	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-113.1	-2.4	-171.4	-59.1	-71.4	0	0	0	114	E91 A94 K95 I117 V123	E91-Y121 HydrophobicContact CG-CE2 3.54Å; E91-Y121 WeakPolarHBondContact CG-OH 3.47Å; E91-Y121 PolarHBondContact OE1-OH 2.72Å; E91-Y121 VanDerWaalsContact OE1-OH 3.12Å; A94-Y121 HydrophobicContact CB-CD2 3.77Å; A94-Y121 HydrophobicContact CB-CE2 4.49Å; A94-Y121 HydrophobicContact CB-CG 4.07Å; K95-Y121 HydrophobicContact CB-CD1 3.98Å; K95-Y121 HydrophobicContact CB-CE1 3.62Å; K95-Y121 HydrophobicContact CD-CE1 4.31Å; K95-Y121 HydrophobicContact CG-CD1 4.33Å; K95-Y121 HydrophobicContact CG-CE1 3.84Å; I117-Y121 HydrophobicContact CG2-CD2 4.35Å; I117-Y121 WeakPolarHBondContact O-CD2 3.34Å; I117-Y121 PolarHBondContact O-N 3.22Å; Y121-V123 VanDerWaalsContact C-N 3.33Å; Y121-V123 PolarHBondContact O-N 3.39Å
122	N	98.3	Very high	98.7	Very high	153 Å²	153	54.4 Å²	54.4	82%	0.818	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	48.3	-178.8	-167.1	40	0	0	0	112.5	A118	A118-N122 WeakPolarHBondContact O-CA 2.87Å; A118-N122 PolarHBondContact O-N 2.96Å
123	V	98.7	Very high	98.7	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.109	27%	0.274	C	S	.	.			trans	-120.2	160.2	176.5	-61.3	0	0	0	0	110.1	A94 I117 A118 Y121	A94-V123 HydrophobicContact CB-CG2 3.91Å; I117-V123 HydrophobicContact CG2-CG2 4.01Å; A118-V123 WeakPolarHBondContact CA-O 3.14Å; A118-V123 WeakPolarHBondContact CB-O 3.27Å; Y121-V123 VanDerWaalsContact C-N 3.33Å; Y121-V123 PolarHBondContact O-N 3.39Å
124	Q	98.8	Very high	98.6	Very high	111 Å²	111	56.2 Å²	56.2	52%	0.519	29%	0.293	S	S	.	.			trans	-74.9	142.2	172.4	-57.5	-177.9	6.9	0	0	110.2	W75 N99 I100	W75-Q124 HydrophobicContact CH2-CB 3.77Å; W75-Q124 HydrophobicContact CZ2-CB 4.14Å; N99-Q124 CarbonylContact C-O 3.21Å; N99-Q124 VanDerWaalsContact CA-O 3.27Å; N99-Q124 WeakPolarHBondContact CA-O 3.46Å; N99-Q124 HydrophobicContact CB-CB 4.11Å; N99-Q124 WeakPolarHBondContact CB-O 3.48Å; N99-Q124 WeakPolarHBondContact OD1-CB 3.19Å; N99-Q124 PolarHBondContact OD1-N 2.84Å; I100-Q124 PolarHBondContact N-O 3.42Å
125	T	98.8	Very high	98.3	Very high	35 Å²	35	61.1 Å²	61.1	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.5	169	58	0	0	0	0	110.6	I100 L102 A114 I117 A118	I100-T125 HydrophobicContact CB-CG2 4.39Å; I100-T125 CarbonylContact O-C 3.52Å; I100-T125 VanDerWaalsContact O-CA 3.23Å; I100-T125 WeakPolarHBondContact O-CA 3.41Å; L102-T125 HydrophobicContact CD1-CG2 4.19Å; A114-T125 WeakPolarHBondContact O-CG2 3.17Å; A114-T125 PolarHBondContact O-OG1 2.9Å; I117-T125 HydrophobicContact CB-CG2 4.17Å; I117-T125 HydrophobicContact CG2-CG2 3.77Å; A118-T125 HydrophobicContact CB-CG2 4.01Å
126	R	98.7	Very high	98.1	Very high	83 Å²	83	60.6 Å²	60.6	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.2	169.2	-70.5	-175.3	-174.4	179.8	7.9	108.3	W75 I100 M101 L102 Q147	W75-R126 HydrophobicContact CH2-CG 3.77Å; W75-R126 HydrophobicContact CZ3-CB 4.23Å; W75-R126 HydrophobicContact CZ3-CG 3.98Å; I100-R126 PolarHBondContact O-N 3.3Å; M101-R126 CarbonylContact C-O 3.53Å; M101-R126 VanDerWaalsContact CA-O 3.3Å; M101-R126 WeakPolarHBondContact CA-O 3.4Å; M101-R126 HydrophobicContact CE-CB 4.3Å; L102-R126 PolarHBondContact N-O 3.31Å; R126-Q147 PolarHBondContact NH1-O 2.9Å
127	I	98.8	Very high	98	Very high	62 Å²	62	57 Å²	57	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146	175.1	67.4	172.6	0	0	0	109.9	L102 L110 S111 A114	L102-I127 CarbonylContact O-C 3.36Å; L102-I127 WeakPolarHBondContact O-CA 2.96Å; L110-I127 HydrophobicContact CD2-CB 3.88Å; L110-I127 HydrophobicContact CD2-CG2 4.3Å; L110-I127 HydrophobicContact CG-CB 4.12Å; L110-I127 HydrophobicContact CG-CG2 3.96Å; S111-I127 WeakPolarHBondContact OG-CD1 3.39Å; A114-I127 HydrophobicContact CB-CG2 3.5Å; A114-I127 VanDerWaalsContact CB-CG2 3.5Å
128	V	98.8	Very high	98	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.2	165.9	-176.1	0	0	0	0	107.3	M101 L102 I103 S104 A130 I140 I141 A144	M101-V128 HydrophobicContact CE-CG2 4.2Å; M101-V128 HydrophobicContact CG-CG2 4.31Å; M101-V128 HydrophobicContact SD-CG2 4.02Å; L102-V128 PolarHBondContact O-N 3.22Å; I103-V128 WeakPolarHBondContact CA-O 3.39Å; I103-V128 HydrophobicContact CG1-CB 4.17Å; I103-V128 HydrophobicContact CG2-CB 4.21Å; I103-V128 WeakPolarHBondContact CG2-O 3.3Å; S104-V128 PolarHBondContact N-O 2.75Å; V128-A130 HydrophobicContact CG1-CB 4.45Å; V128-A130 PolarHBondContact O-N 2.69Å; V128-I140 HydrophobicContact CG1-CD1 4.16Å; V128-I140 HydrophobicContact CG1-CG1 4.25Å; V128-I141 HydrophobicContact CG1-CG1 3.81Å; V128-A144 HydrophobicContact CG2-CB 3.59Å
129	V	98.6	Very high	98	Very high	52 Å²	52	63.3 Å²	63.3	32%	0.315	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108.4	178.1	-175.9	0	0	0	0	108.3	S104 E107 I140	S104-V129 CarbonylContact O-C 3.54Å; S104-V129 VanDerWaalsContact O-CA 3.24Å; S104-V129 WeakPolarHBondContact O-CA 3.39Å; E107-V129 HydrophobicContact CB-CG1 4.14Å; E107-V129 HydrophobicContact CB-CG2 3.67Å; E107-V129 HydrophobicContact CG-CG2 3.66Å; V129-I140 WeakPolarHBondContact O-CD1 3.3Å
130	A	98.5	Very high	97.9	Very high	5 Å²	5	61.9 Å²	61.9	4%	0.041	32%	0.315	C	S	.	.			trans	-146.2	132	-175.1	0	0	0	0	0	112.3	I103 S104 N105 V128 A137 I140 I141	I103-A130 HydrophobicContact CG2-CB 3.92Å; S104-A130 CarbonylContact C-O 3.57Å; S104-A130 PolarHBondContact O-N 2.87Å; N105-A130 PolarHBondContact N-O 3.45Å; V128-A130 HydrophobicContact CG1-CB 4.45Å; V128-A130 PolarHBondContact O-N 2.69Å; A130-A137 HydrophobicContact CB-CB 4.22Å; A130-I140 HydrophobicContact CB-CD1 4.07Å; A130-I141 HydrophobicContact CB-CD1 3.83Å; A130-I141 HydrophobicContact CB-CG1 4.09Å
131	D	98.3	Very high	97.9	Very high	55 Å²	55	57.8 Å²	57.8	29%	0.294	29%	0.29	S	S	.	.			trans	-93.8	103.4	172.6	-178.4	-2	0	0	0	110.9	N105 T133 K134 A137	N105-D131 HydrophobicContact CB-CB 4.17Å; D131-T133 PolarHBondContact O-N 3.21Å; D131-T133 WeakPolarHBondContact OD1-CB 3.45Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.38Å; D131-T133 PolarHBondContact OD1-N 3.28Å; D131-T133 PolarHBondContact OD1-OG1 2.92Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; D131-K134 HydrophobicContact CB-CG 4.04Å; D131-K134 WeakPolarHBondContact O-CB 3.24Å; D131-K134 PolarHBondContact O-N 3.06Å; D131-A137 WeakPolarHBondContact O-CB 3.42Å
132	F	98.5	Very high	97.9	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.022	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.8	180	-74.4	-79.8	0	0	0	114.9	T79 I103 K134 Y138 I141 V158 H184 C185 S189 M193	T79-F132 HydrophobicContact CG2-CE2 4.2Å; T79-F132 HydrophobicContact CG2-CZ 3.79Å; I103-F132 HydrophobicContact CB-CE2 4.3Å; I103-F132 HydrophobicContact CB-CZ 4.45Å; I103-F132 HydrophobicContact CG2-CE2 3.57Å; I103-F132 HydrophobicContact CG2-CZ 3.73Å; F132-K134 VanDerWaalsContact C-N 3.26Å; F132-Y138 HydrophobicContact CD1-CE1 4.02Å; F132-Y138 AromaticContact CE1-CE1 3.87Å; F132-Y138 HydrophobicContact CE1-CE1 3.87Å; F132-I141 HydrophobicContact CE1-CD1 3.68Å; F132-I141 HydrophobicContact CZ-CD1 3.62Å; F132-V158 HydrophobicContact CB-CG1 4.4Å; F132-V158 HydrophobicContact CB-CG2 4.38Å; F132-V158 HydrophobicContact CD1-CG1 4.47Å; F132-V158 HydrophobicContact CD2-CB 4.17Å; F132-V158 HydrophobicContact CD2-CG1 3.86Å; F132-V158 HydrophobicContact CD2-CG2 3.77Å; F132-V158 HydrophobicContact CE2-CB 4.44Å; F132-V158 HydrophobicContact CE2-CG1 4.16Å; F132-V158 HydrophobicContact CE2-CG2 4.43Å; F132-V158 HydrophobicContact CG-CG1 4Å; F132-V158 HydrophobicContact CG-CG2 4.35Å; F132-H184 CarbonylContact O-C 3.17Å; F132-H184 VanDerWaalsContact O-C 3.31Å; F132-H184 WeakPolarHBondContact O-CB 3.46Å; F132-C185 WeakPolarHBondContact O-CA 3.43Å; F132-C185 PolarHBondContact O-N 3.3Å; F132-S189 VanDerWaalsContact CD1-CB 3.46Å; F132-M193 HydrophobicContact CE1-CG 3.94Å; F132-M193 HydrophobicContact CE1-SD 4Å; F132-M193 HydrophobicContact CZ-CG 4.3Å; F132-M193 HydrophobicContact CZ-SD 4.16Å
133	T	98.1	Very high	97.9	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.117	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.3	165.4	71.3	0	0	0	0	112.1	D131 M160 N181 H184 C185	D131-T133 PolarHBondContact O-N 3.21Å; D131-T133 WeakPolarHBondContact OD1-CB 3.45Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.38Å; D131-T133 PolarHBondContact OD1-N 3.28Å; D131-T133 PolarHBondContact OD1-OG1 2.92Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; T133-M160 HydrophobicContact CG2-SD 3.96Å; T133-N181 HydrophobicContact CG2-CB 3.87Å; T133-H184 PolarHBondContact O-ND1 3.33Å; T133-C185 HydrophobicContact CG2-CB 4.1Å
134	K	97.4	Very high	97.9	Very high	92 Å²	92	55.1 Å²	55.1	40%	0.4	28%	0.279	S	S	.	.	S	Bend	trans	-104.5	150.8	-176.8	-47.1	-60.5	-179.7	-175.5	0	111.9	D131 F132 D136	D131-K134 HydrophobicContact CB-CG 4.04Å; D131-K134 WeakPolarHBondContact O-CB 3.24Å; D131-K134 PolarHBondContact O-N 3.06Å; F132-K134 VanDerWaalsContact C-N 3.26Å; K134-D136 WeakPolarHBondContact CB-OD1 3.37Å
135	N	92.9	Very high	97.9	Very high	107 Å²	107	49.9 Å²	49.9	57%	0.572	26%	0.255	S	S	*	.	S	Bend	trans	-78.2	-31.6	-178	-76.3	-31.2	0	0	0	113	A137 Y138 H184	N135-A137 PolarHBondContact O-N 3.33Å; N135-Y138 WeakPolarHBondContact O-CD2 3.23Å; N135-H184 PolarHBondContact OD1-CE1 3.41Å; N135-H184 PolarHBondContact OD1-ND1 2.95Å
136	D	95.3	Very high	97.8	Very high	92 Å²	92	54.3 Å²	54.3	49%	0.492	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	-179.8	58.3	-13.4	0	0	0	113	K134 Y138 E139	K134-D136 WeakPolarHBondContact CB-OD1 3.37Å; D136-Y138 PolarHBondContact O-N 2.9Å; D136-E139 VanDerWaalsContact O-CB 3.3Å; D136-E139 WeakPolarHBondContact O-CB 3.42Å; D136-E139 PolarHBondContact O-N 3.34Å
137	A	97	Very high	97.7	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-48.2	-34.7	175.4	0	0	0	0	0	113.5	A130 D131 N135 I140 I141	A130-A137 HydrophobicContact CB-CB 4.22Å; D131-A137 WeakPolarHBondContact O-CB 3.42Å; N135-A137 PolarHBondContact O-N 3.33Å; A137-I140 WeakPolarHBondContact O-CG1 3.35Å; A137-I141 VanDerWaalsContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CD1 3.38Å; A137-I141 WeakPolarHBondContact O-CG1 3.43Å; A137-I141 PolarHBondContact O-N 3.48Å
138	Y	98	Very high	97.7	Very high	15 Å²	15	53.8 Å²	53.8	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-79.4	-16.6	-178.3	-50	-73	0	0	0	114.1	F132 N135 D136 I140 I141 K142 L188 S189 T192 I196	F132-Y138 HydrophobicContact CD1-CE1 4.02Å; F132-Y138 AromaticContact CE1-CE1 3.87Å; F132-Y138 HydrophobicContact CE1-CE1 3.87Å; N135-Y138 WeakPolarHBondContact O-CD2 3.23Å; D136-Y138 PolarHBondContact O-N 2.9Å; Y138-I140 VanDerWaalsContact C-N 3.29Å; Y138-I140 PolarHBondContact O-N 3.33Å; Y138-I141 HydrophobicContact CD1-CD1 4.3Å; Y138-I141 PolarHBondContact O-N 3.03Å; Y138-K142 WeakPolarHBondContact O-CB 3.32Å; Y138-K142 VanDerWaalsContact O-CG 3.28Å; Y138-K142 WeakPolarHBondContact O-CG 3.08Å; Y138-K142 PolarHBondContact O-N 3.48Å; Y138-L188 HydrophobicContact CE2-CD2 4.36Å; Y138-L188 HydrophobicContact CE2-CG 4.39Å; Y138-L188 PolarHBondContact OH-O 3.04Å; Y138-S189 WeakPolarHBondContact OH-CA 3.33Å; Y138-S189 PolarHBondContact OH-N 2.94Å; Y138-T192 HydrophobicContact CD1-CG2 3.6Å; Y138-T192 HydrophobicContact CD2-CG2 4.04Å; Y138-T192 HydrophobicContact CE1-CG2 3.7Å; Y138-T192 HydrophobicContact CE2-CG2 4.15Å; Y138-T192 HydrophobicContact CG-CG2 3.77Å; Y138-I196 HydrophobicContact CD1-CD1 4.21Å
139	E	97.7	Very high	97.6	Very high	145 Å²	145	55.6 Å²	55.6	68%	0.678	29%	0.287	S	S	*	.	H	α-helix	trans	-66.5	-34.9	178.2	-61.8	-178.7	-177	0	0	111.2	D136 P143	D136-E139 VanDerWaalsContact O-CB 3.3Å; D136-E139 WeakPolarHBondContact O-CB 3.42Å; D136-E139 PolarHBondContact O-N 3.34Å; E139-P143 WeakPolarHBondContact O-CD 3.33Å; E139-P143 WeakPolarHBondContact O-CG 3.3Å
140	I	97.4	Very high	97.6	Very high	90 Å²	90	54.2 Å²	54.2	46%	0.462	28%	0.278	S	S	.	.	H	α-helix	trans	-87.6	-30.9	174.6	58.9	171	0	0	0	112.8	V128 V129 A130 A137 Y138	V128-I140 HydrophobicContact CG1-CD1 4.16Å; V128-I140 HydrophobicContact CG1-CG1 4.25Å; V129-I140 WeakPolarHBondContact O-CD1 3.3Å; A130-I140 HydrophobicContact CB-CD1 4.07Å; A137-I140 WeakPolarHBondContact O-CG1 3.35Å; Y138-I140 VanDerWaalsContact C-N 3.29Å; Y138-I140 PolarHBondContact O-N 3.33Å
141	I	98.6	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.8	-43.6	-178.8	-67.9	164.8	0	0	0	111.3	I103 V128 A130 F132 A137 Y138 A144 I145 M193	I103-I141 HydrophobicContact CD1-CG1 4.36Å; I103-I141 HydrophobicContact CD1-CG2 4.03Å; I103-I141 HydrophobicContact CG2-CD1 4.08Å; I103-I141 HydrophobicContact CG2-CG1 4.28Å; V128-I141 HydrophobicContact CG1-CG1 3.81Å; A130-I141 HydrophobicContact CB-CD1 3.83Å; A130-I141 HydrophobicContact CB-CG1 4.09Å; F132-I141 HydrophobicContact CE1-CD1 3.68Å; F132-I141 HydrophobicContact CZ-CD1 3.62Å; A137-I141 VanDerWaalsContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CD1 3.38Å; A137-I141 WeakPolarHBondContact O-CG1 3.43Å; A137-I141 PolarHBondContact O-N 3.48Å; Y138-I141 HydrophobicContact CD1-CD1 4.3Å; Y138-I141 PolarHBondContact O-N 3.03Å; I141-A144 PolarHBondContact O-N 3.42Å; I141-I145 HydrophobicContact CG2-CG1 3.86Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.25Å; I141-I145 PolarHBondContact O-N 2.86Å; I141-M193 HydrophobicContact CD1-SD 4.15Å; I141-M193 HydrophobicContact CG2-CE 3.88Å; I141-M193 HydrophobicContact CG2-SD 3.71Å
142	K	98.4	Very high	97.7	Very high	97 Å²	97	51.4 Å²	51.4	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-52.6	-175.3	-73.2	169.7	-175.4	175.6	0	112.4	Y138 A144 I145 E146 I196	Y138-K142 WeakPolarHBondContact O-CB 3.32Å; Y138-K142 VanDerWaalsContact O-CG 3.28Å; Y138-K142 WeakPolarHBondContact O-CG 3.08Å; Y138-K142 PolarHBondContact O-N 3.48Å; K142-A144 VanDerWaalsContact C-N 3.31Å; K142-A144 PolarHBondContact O-N 3.37Å; K142-I145 PolarHBondContact O-N 2.88Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 3.4Å; K142-I196 HydrophobicContact CD-CD1 4.35Å; K142-I196 HydrophobicContact CG-CD1 3.56Å; K142-I196 HydrophobicContact CG-CG1 3.88Å; K142-I196 HydrophobicContact CG-CG2 4.28Å
143	P	98.2	Very high	97.7	Very high	58 Å²	58	51.1 Å²	51.1	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-36.3	177.8	-21.6	34.2	0	0	0	112.7	E139 I145 E146 Q147	E139-P143 WeakPolarHBondContact O-CD 3.33Å; E139-P143 WeakPolarHBondContact O-CG 3.3Å; P143-I145 PolarHBondContact O-N 3.4Å; P143-E146 WeakPolarHBondContact O-CB 3.4Å; P143-E146 PolarHBondContact O-N 3.13Å; P143-Q147 WeakPolarHBondContact O-CG 3.16Å; P143-Q147 PolarHBondContact O-N 3.2Å
144	A	98.5	Very high	97.7	Very high	17 Å²	17	50.2 Å²	50.2	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-42	177.5	0	0	0	0	0	111.8	M101 V128 I141 K142 E146 Q147	M101-A144 HydrophobicContact CE-CB 3.98Å; M101-A144 WeakPolarHBondContact CE-O 3.2Å; V128-A144 HydrophobicContact CG2-CB 3.59Å; I141-A144 PolarHBondContact O-N 3.42Å; K142-A144 VanDerWaalsContact C-N 3.31Å; K142-A144 PolarHBondContact O-N 3.37Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-Q147 PolarHBondContact O-N 3.3Å
145	I	98.6	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-36.7	174.6	-68.8	-71.9	0	0	0	111.6	V77 M101 I141 K142 P143 Q147 L148 I151 I196 I197	V77-I145 HydrophobicContact CB-CD1 4.33Å; V77-I145 HydrophobicContact CG1-CD1 3.82Å; V77-I145 HydrophobicContact CG2-CD1 3.56Å; M101-I145 HydrophobicContact CE-CD1 4.45Å; M101-I145 HydrophobicContact SD-CD1 3.37Å; M101-I145 WeakPolarHBondContact SD-CD1 3.49Å; M101-I145 HydrophobicContact SD-CG1 4.05Å; I141-I145 HydrophobicContact CG2-CG1 3.86Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.25Å; I141-I145 PolarHBondContact O-N 2.86Å; K142-I145 PolarHBondContact O-N 2.88Å; P143-I145 PolarHBondContact O-N 3.4Å; I145-Q147 PolarHBondContact O-N 3.27Å; I145-L148 HydrophobicContact CD1-CD1 4.04Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-L148 VanDerWaalsContact O-N 3.07Å; I145-I151 HydrophobicContact CG2-CD1 4.03Å; I145-I196 HydrophobicContact CB-CG2 4.43Å; I145-I196 HydrophobicContact CG2-CG2 4.08Å; I145-I197 HydrophobicContact CD1-CD1 3.95Å; I145-I197 HydrophobicContact CD1-CG1 4.33Å; I145-I197 HydrophobicContact CG2-CG1 4.04Å
146	E	97.4	Very high	98.1	Very high	129 Å²	129	41.1 Å²	41.1	60%	0.603	21%	0.211	S	C	*	.	H	α-helix	trans	-61.8	-31.1	179.2	-75.6	168.6	-174.9	0	0	113.1	K142 P143 A144 L148 R200	K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 3.4Å; P143-E146 WeakPolarHBondContact O-CB 3.4Å; P143-E146 PolarHBondContact O-N 3.13Å; A144-E146 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.21Å; E146-R200 PolarHBondContact O-NH1 3.48Å
147	Q	97.9	Very high	98.3	Very high	129 Å²	129	37.7 Å²	37.7	60%	0.603	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-3.2	177	-61.6	169.3	10.5	0	0	114.1	R126 P143 A144 I145	R126-Q147 PolarHBondContact NH1-O 2.9Å; P143-Q147 WeakPolarHBondContact O-CG 3.16Å; P143-Q147 PolarHBondContact O-N 3.2Å; A144-Q147 PolarHBondContact O-N 3.3Å; I145-Q147 PolarHBondContact O-N 3.27Å
148	L	98.5	Very high	98.3	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.198	C	C	.	.			trans	-83.2	148	173.9	-56.5	-172.5	0	0	0	109.8	W75 V77 M101 I145 E146 I151 R200	W75-L148 HydrophobicContact CB-CD1 4.11Å; W75-L148 HydrophobicContact CD2-CD1 4.34Å; W75-L148 HydrophobicContact CD2-CD2 3.59Å; W75-L148 HydrophobicContact CD2-CG 4.37Å; W75-L148 HydrophobicContact CE3-CD1 4.42Å; W75-L148 HydrophobicContact CE3-CD2 3.73Å; W75-L148 HydrophobicContact CG-CB 4.17Å; W75-L148 HydrophobicContact CG-CD1 4.2Å; W75-L148 HydrophobicContact CG-CD2 4.08Å; W75-L148 HydrophobicContact CG-CG 4.38Å; W75-L148 HydrophobicContact CH2-CD2 4.27Å; W75-L148 HydrophobicContact CZ2-CD2 4.13Å; W75-L148 HydrophobicContact CZ3-CD2 4.06Å; V77-L148 HydrophobicContact CG2-CD1 3.89Å; M101-L148 HydrophobicContact CB-CD1 4.18Å; M101-L148 HydrophobicContact CE-CD1 3.77Å; M101-L148 HydrophobicContact CE-CD2 3.65Å; M101-L148 HydrophobicContact CE-CG 3.82Å; M101-L148 HydrophobicContact SD-CD1 3.99Å; I145-L148 HydrophobicContact CD1-CD1 4.04Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-L148 VanDerWaalsContact O-N 3.07Å; E146-L148 PolarHBondContact O-N 3.21Å; L148-I151 HydrophobicContact CB-CG1 4.47Å; L148-I151 HydrophobicContact CD1-CD1 4.32Å; L148-I151 HydrophobicContact CD1-CG1 4.41Å; L148-R200 PolarHBondContact O-NH2 2.87Å
149	S	96.8	Very high	98.2	Very high	52 Å²	52	39.3 Å²	39.3	36%	0.364	21%	0.21	S	C	.	.	S	Bend	trans	-69.8	-97.3	175.3	50	0	0	0	0	110.7	E74 W75 R200	E74-S149 WeakPolarHBondContact OE2-CB 3.21Å; E74-S149 PolarHBondContact OE2-OG 3.46Å; W75-S149 VanDerWaalsContact CD1-OG 3.22Å; W75-S149 PolarHBondContact NE1-OG 3.08Å; S149-R200 PolarHBondContact O-NH2 3.18Å
150	T	98.4	Very high	98.2	Very high	23 Å²	23	34.9 Å²	34.9	14%	0.141	19%	0.19	C	C	.	.			trans	-113.6	142.1	179.4	57.5	0	0	0	0	109.7	G73 E74 W75 Q204 E206	G73-T150 VanDerWaalsContact CA-OG1 3.29Å; G73-T150 WeakPolarHBondContact CA-OG1 3.4Å; E74-T150 PolarHBondContact N-O 2.82Å; E74-T150 PolarHBondContact N-OG1 2.79Å; W75-T150 PolarHBondContact N-O 3.26Å; T150-Q204 HydrophobicContact CG2-CB 4.19Å; T150-E206 VanDerWaalsContact CG2-OE2 3.23Å; T150-E206 WeakPolarHBondContact CG2-OE2 3.43Å
151	I	98.8	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.4	-173.7	-56.7	173.2	0	0	0	108.5	W75 V77 I145 L148 I197 M201 Q204	W75-I151 CarbonylContact O-C 3.55Å; W75-I151 WeakPolarHBondContact O-CA 3.37Å; V77-I151 HydrophobicContact CG2-CD1 4.37Å; V77-I151 HydrophobicContact CG2-CG2 4.14Å; I145-I151 HydrophobicContact CG2-CD1 4.03Å; L148-I151 HydrophobicContact CB-CG1 4.47Å; L148-I151 HydrophobicContact CD1-CD1 4.32Å; L148-I151 HydrophobicContact CD1-CG1 4.41Å; I151-I197 HydrophobicContact CB-CG2 4.49Å; I151-I197 HydrophobicContact CD1-CG1 4.27Å; I151-I197 HydrophobicContact CD1-CG2 4.05Å; I151-I197 HydrophobicContact CG2-CG2 4.05Å; I151-M201 HydrophobicContact CB-CE 4.44Å; I151-M201 HydrophobicContact CG2-CE 3.73Å; I151-Q204 VanDerWaalsContact N-OE1 3.11Å; I151-Q204 PolarHBondContact O-NE2 3.18Å; I151-Q204 PolarHBondContact O-OE1 2.93Å
152	A	98.7	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-41.2	176.5	0	0	0	0	0	112.2	L69 A72 W75 L98 P209 G210	L69-A152 WeakPolarHBondContact O-CB 3.32Å; A72-A152 HydrophobicContact CB-CB 4.01Å; W75-A152 PolarHBondContact O-N 3.19Å; L98-A152 HydrophobicContact CD2-CB 3.27Å; A152-P209 CarbonylContact O-C 3.52Å; A152-P209 WeakPolarHBondContact O-CA 3.45Å; A152-G210 PolarHBondContact O-N 3.24Å
153	C	98.8	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.8	-170	-167.3	0	0	0	0	112.9	L69 A76 V77 G210	L69-C153 HydrophobicContact CD2-CB 4.02Å; A76-C153 CarbonylContact C-O 3.58Å; A76-C153 VanDerWaalsContact CA-O 3.24Å; A76-C153 WeakPolarHBondContact CA-O 3.46Å; A76-C153 HydrophobicContact CB-CB 4.19Å; V77-C153 PolarHBondContact N-O 3.25Å; C153-G210 CarbonylContact C-O 3.39Å; C153-G210 VanDerWaalsContact CA-O 3.24Å; C153-G210 WeakPolarHBondContact CA-O 3.45Å
154	L	98.9	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.8	163	168.8	60.4	0	0	0	108.3	V77 N156 M193 I197 M201 G210 I211 I212	V77-L154 HydrophobicContact CB-CD1 4.09Å; V77-L154 HydrophobicContact CG1-CD1 4.06Å; V77-L154 CarbonylContact O-C 3.58Å; V77-L154 WeakPolarHBondContact O-CA 3.4Å; L154-N156 WeakPolarHBondContact CD2-ND2 3.36Å; L154-M193 HydrophobicContact CD1-CB 4.41Å; L154-M193 HydrophobicContact CD1-CE 4.33Å; L154-M193 HydrophobicContact CD2-CB 4.12Å; L154-I197 HydrophobicContact CB-CD1 4.33Å; L154-I197 HydrophobicContact CB-CG2 4.33Å; L154-I197 HydrophobicContact CD1-CD1 3.71Å; L154-I197 HydrophobicContact CD2-CB 4.28Å; L154-I197 HydrophobicContact CD2-CD1 3.94Å; L154-I197 HydrophobicContact CG-CD1 4.2Å; L154-M201 HydrophobicContact CB-CE 4.07Å; L154-G210 PolarHBondContact N-O 3.22Å; L154-I211 HydrophobicContact CB-CG1 4.29Å; L154-I211 HydrophobicContact CB-CG2 4.42Å; L154-I211 HydrophobicContact CD2-CD1 4.45Å; L154-I211 HydrophobicContact CD2-CG2 4.11Å; L154-I211 HydrophobicContact CG-CG2 4.3Å; L154-I211 CarbonylContact O-C 3.31Å; L154-I211 WeakPolarHBondContact O-CA 3.21Å; L154-I212 PolarHBondContact O-N 2.88Å
155	V	99	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	99.5	170.6	-174.2	0	0	0	0	108.5	V77 V78 T79 Y89 L93 N157 I212 I214	V77-V155 PolarHBondContact O-N 3.34Å; V78-V155 HydrophobicContact CB-CB 4.42Å; V78-V155 HydrophobicContact CG1-CB 4.09Å; V78-V155 HydrophobicContact CG1-CG1 4.36Å; V78-V155 HydrophobicContact CG2-CB 4.15Å; V78-V155 HydrophobicContact CG2-CG2 4.15Å; T79-V155 PolarHBondContact N-O 3.09Å; T79-V155 PolarHBondContact OG1-O 3.47Å; Y89-V155 HydrophobicContact CD1-CG1 4.06Å; Y89-V155 HydrophobicContact CD1-CG2 3.88Å; Y89-V155 HydrophobicContact CD2-CG1 4.35Å; Y89-V155 HydrophobicContact CE1-CG1 4.4Å; Y89-V155 HydrophobicContact CE1-CG2 4.39Å; Y89-V155 HydrophobicContact CG-CG1 4Å; Y89-V155 HydrophobicContact CG-CG2 4.44Å; L93-V155 HydrophobicContact CD1-CG2 3.81Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 HydrophobicContact CG1-CB 3.92Å; V155-N157 PolarHBondContact O-N 3.39Å; V155-I212 CarbonylContact C-O 3.54Å; V155-I212 WeakPolarHBondContact CA-O 3.31Å; V155-I212 HydrophobicContact CG2-CB 4.4Å; V155-I212 HydrophobicContact CG2-CD1 4.46Å; V155-I214 HydrophobicContact CG1-CG1 4.4Å
156	N	98.9	Very high	95.3	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	84.3	170.9	-69.5	-47.6	0	0	0	109	L154 A190 M193 T194 I212 N213 I214	L154-N156 WeakPolarHBondContact CD2-ND2 3.36Å; N156-A190 HydrophobicContact CB-CB 3.87Å; N156-A190 PolarHBondContact ND2-O 2.77Å; N156-M193 WeakPolarHBondContact OD1-CB 3.35Å; N156-T194 PolarHBondContact ND2-OG1 3.35Å; N156-T194 VanDerWaalsContact ND2-OG1 3.15Å; N156-I212 PolarHBondContact N-O 3.42Å; N156-N213 VanDerWaalsContact CB-OD1 3.3Å; N156-N213 WeakPolarHBondContact CB-OD1 3.18Å; N156-N213 PolarHBondContact ND2-OD1 3.31Å; N156-I214 PolarHBondContact O-N 3.15Å
157	N	98.9	Very high	94.9	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.112	21%	0.206	C	C	.	.			trans	-105.1	-28.7	-178.2	160.4	86.4	0	0	0	113.3	T79 G80 I85 G86 V155 G159 I214	T79-N157 VanDerWaalsContact O-CB 3.3Å; T79-N157 WeakPolarHBondContact O-CB 3.39Å; T79-N157 PolarHBondContact O-ND2 3.02Å; T79-N157 PolarHBondContact OG1-N 2.83Å; G80-N157 PolarHBondContact O-ND2 2.81Å; I85-N157 WeakPolarHBondContact CB-OD1 3.44Å; I85-N157 WeakPolarHBondContact CG2-OD1 3.2Å; G86-N157 WeakPolarHBondContact CA-ND2 3.5Å; G86-N157 PolarHBondContact N-ND2 2.65Å; G86-N157 PolarHBondContact N-OD1 2.75Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 HydrophobicContact CG1-CB 3.92Å; V155-N157 PolarHBondContact O-N 3.39Å; N157-G159 PolarHBondContact O-N 3.47Å; N157-I214 HydrophobicContact CB-CB 4.4Å; N157-I214 HydrophobicContact CB-CG1 3.74Å
158	V	98.3	Very high	94.3	Very high	21 Å²	21	33.5 Å²	33.5	13%	0.127	20%	0.201	C	C	.	.			trans	-50.4	139.1	-177	71.6	0	0	0	0	111.3	T79 F132 S189	T79-V158 PolarHBondContact O-N 3.09Å; T79-V158 WeakPolarHBondContact OG1-CG1 3.36Å; T79-V158 PolarHBondContact OG1-N 3.47Å; F132-V158 HydrophobicContact CB-CG1 4.4Å; F132-V158 HydrophobicContact CB-CG2 4.38Å; F132-V158 HydrophobicContact CD1-CG1 4.47Å; F132-V158 HydrophobicContact CD2-CB 4.17Å; F132-V158 HydrophobicContact CD2-CG1 3.86Å; F132-V158 HydrophobicContact CD2-CG2 3.77Å; F132-V158 HydrophobicContact CE2-CB 4.44Å; F132-V158 HydrophobicContact CE2-CG1 4.16Å; F132-V158 HydrophobicContact CE2-CG2 4.43Å; F132-V158 HydrophobicContact CG-CG1 4Å; F132-V158 HydrophobicContact CG-CG2 4.35Å; V158-S189 WeakPolarHBondContact CG1-OG 3.23Å
159	G	96.5	Very high	93	Very high	31 Å²	31	36.6 Å²	36.6	32%	0.32	23%	0.234	S	C	.	.			trans	178.9	159.5	175.6	0	0	0	0	0	111.3	N157 N186	N157-G159 PolarHBondContact O-N 3.47Å; G159-N186 WeakPolarHBondContact CA-OD1 3.28Å
160	M	96.5	Very high	91.8	Very high	52 Å²	52	40.4 Å²	40.4	26%	0.256	25%	0.246	S	C	.	.			trans	-126.2	150.6	177	65.7	-175.2	-64.2	0	0	110.7	T133 L162 N181 I182 C185 N186 Y229	T133-M160 HydrophobicContact CG2-SD 3.96Å; M160-L162 HydrophobicContact CE-CD2 4.37Å; M160-N181 HydrophobicContact CE-CB 4.46Å; M160-N181 HydrophobicContact SD-CB 4.1Å; M160-I182 HydrophobicContact CG-CB 4.15Å; M160-I182 HydrophobicContact CG-CG1 3.97Å; M160-I182 WeakPolarHBondContact O-CD1 3.47Å; M160-I182 HydrophobicContact SD-CB 4.35Å; M160-C185 HydrophobicContact CG-CB 4Å; M160-C185 HydrophobicContact SD-CB 3.92Å; M160-N186 PolarHBondContact N-OD1 2.9Å; M160-N186 PolarHBondContact O-ND2 3.42Å; M160-N186 PolarHBondContact O-OD1 3.49Å; M160-Y229 WeakPolarHBondContact O-CD2 3.46Å
161	G	92.1	Very high	90.6	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	28%	0.275	S	S	.	.			trans	-94.3	172.7	165.9	0	0	0	0	0	111
162	L	90.1	Very high	89.3	Confident	30 Å²	30	50.8 Å²	50.8	16%	0.157	31%	0.305	C	S	.	.			trans	-121.2	160	162.4	-65.3	177.9	0	0	0	108	M160 P174 T178 I182 M228	M160-L162 HydrophobicContact CE-CD2 4.37Å; L162-P174 HydrophobicContact CD1-CB 3.92Å; L162-P174 HydrophobicContact CD1-CG 3.79Å; L162-T178 HydrophobicContact CD2-CG2 4.49Å; L162-I182 HydrophobicContact CD1-CB 4.48Å; L162-I182 HydrophobicContact CD1-CD1 4.14Å; L162-I182 HydrophobicContact CD1-CG2 4.12Å; L162-I182 HydrophobicContact CG-CD1 3.82Å; L162-M228 HydrophobicContact CD1-CB 4.1Å; L162-M228 HydrophobicContact CD1-CG 4.39Å
163	P	86.5	Confident	88.6	Confident	88 Å²	88	51.7 Å²	51.7	57%	0.571	31%	0.311	S	S	*	.			trans	-49.5	147.5	167.9	-27.4	36.5	0	0	0	111.8	E165	P163-E165 HydrophobicContact CB-CG 3.93Å; P163-E165 PolarHBondContact O-N 3.19Å
164	F	87.8	Confident	88	Confident	63 Å²	63	52.8 Å²	52.8	28%	0.276	32%	0.318	S	S	.	.	S	Bend	trans	-77.6	92.5	178.1	-74.9	-94.6	0	0	0	109.8	Y223 Y225 A226 M321 V325	F164-Y223 AromaticContact CE1-CE1 3.82Å; F164-Y223 HydrophobicContact CE1-CE1 3.82Å; F164-Y223 HydrophobicContact CZ-CE1 4.43Å; F164-Y225 CarbonylContact C-O 3.59Å; F164-Y225 VanDerWaalsContact CA-O 3.27Å; F164-Y225 WeakPolarHBondContact CA-O 3.44Å; F164-A226 HydrophobicContact CD1-CB 3.81Å; F164-A226 HydrophobicContact CE1-CB 3.58Å; F164-A226 HydrophobicContact CZ-CB 4.35Å; F164-M321 HydrophobicContact CD1-CE 3.87Å; F164-M321 HydrophobicContact CE1-CE 3.73Å; F164-V325 HydrophobicContact CB-CG2 3.74Å; F164-V325 WeakPolarHBondContact O-CG1 3.44Å
165	E	85.5	Confident	87.6	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	34%	0.34	C	S	.	.			trans	-135.4	161.5	-171	-68.3	-65.4	173.1	0	0	112.4	P163 F167 N172 Y225 Q329	P163-E165 HydrophobicContact CB-CG 3.93Å; P163-E165 PolarHBondContact O-N 3.19Å; E165-F167 PolarHBondContact O-N 3.2Å; E165-N172 HydrophobicContact CG-CB 4.03Å; E165-Y225 PolarHBondContact N-O 2.87Å; E165-Y225 VanDerWaalsContact O-CA 3.28Å; E165-Y225 WeakPolarHBondContact O-CA 3.34Å; E165-Q329 PolarHBondContact OE2-NE2 3.34Å
166	L	87	Confident	87.2	Confident	88 Å²	88	64.3 Å²	64.3	46%	0.461	37%	0.374	S	S	.	.			trans	-62.9	134.5	171.6	-76	171.8	0	0	0	110	A168 S173 Y225	L166-A168 HydrophobicContact CB-CB 4.14Å; L166-A168 PolarHBondContact O-N 2.92Å; L166-S173 WeakPolarHBondContact O-CB 3.4Å; L166-S173 PolarHBondContact O-OG 3.37Å; L166-S173 VanDerWaalsContact O-OG 3.13Å; L166-Y225 HydrophobicContact CD2-CD1 4.1Å; L166-Y225 HydrophobicContact CD2-CE1 3.5Å; L166-Y225 HydrophobicContact CG-CD1 4.35Å; L166-Y225 HydrophobicContact CG-CE1 3.98Å
167	F	88.1	Confident	87	Confident	109 Å²	109	69.6 Å²	69.6	48%	0.478	40%	0.399	S	S	.	.	S	Bend	trans	-85.4	67.4	171.5	-166.5	-94.3	0	0	0	109.2	E165 P174 I179 M228	E165-F167 PolarHBondContact O-N 3.2Å; F167-P174 HydrophobicContact CD2-CB 4.3Å; F167-P174 HydrophobicContact CD2-CG 4.08Å; F167-P174 HydrophobicContact CE2-CB 4.19Å; F167-P174 HydrophobicContact CE2-CG 4.45Å; F167-I179 HydrophobicContact CE2-CD1 3.83Å; F167-I179 HydrophobicContact CE2-CG1 4.2Å; F167-I179 HydrophobicContact CZ-CD1 3.89Å; F167-M228 HydrophobicContact CD2-CG 4.21Å; F167-M228 HydrophobicContact CE2-CG 3.83Å; F167-M228 HydrophobicContact CE2-SD 3.83Å; F167-M228 HydrophobicContact CZ-SD 4.27Å
168	A	85.8	Confident	86.7	Confident	59 Å²	59	70.6 Å²	70.6	49%	0.488	41%	0.406	S	S	.	.	S	Bend	trans	-124	-4.3	-171.7	0	0	0	0	0	113.6	L166 E170 S173	L166-A168 HydrophobicContact CB-CB 4.14Å; L166-A168 PolarHBondContact O-N 2.92Å; A168-E170 HydrophobicContact CB-CG 4.04Å; A168-E170 PolarHBondContact O-N 3.01Å; A168-S173 PolarHBondContact N-OG 3.27Å
169	G	70.7	Confident	86.6	Confident	69 Å²	69	71.5 Å²	71.5	71%	0.711	41%	0.41	S	S	*	.	S	Bend	trans	75	13.1	-174.6	0	0	0	0	0	113.8	S173	G169-S173 PolarHBondContact N-OG 3.41Å
170	E	72	Confident	86.6	Confident	131 Å²	131	76.9 Å²	76.9	61%	0.612	42%	0.42	S	S	*	.	S	Bend	trans	-83.5	-176.6	176	-63.2	178.4	177.3	0	0	111.8	A168 N172 S173	A168-E170 HydrophobicContact CB-CG 4.04Å; A168-E170 PolarHBondContact O-N 3.01Å; E170-N172 PolarHBondContact O-N 3.49Å; E170-S173 WeakPolarHBondContact O-CB 3.34Å; E170-S173 PolarHBondContact O-N 3.15Å
171	V	72.7	Confident	86.7	Confident	126 Å²	126	75.7 Å²	75.7	76%	0.764	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	133.5	175	-177.9	0	0	0	0	110.1	S173	V171-S173 PolarHBondContact O-N 3.19Å; V171-S173 VanDerWaalsContact O-N 3.12Å
172	N	73.4	Confident	87	Confident	116 Å²	116	74.4 Å²	74.4	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-2	-175.7	-51	-37.5	0	0	0	116.2	E165 E170	E165-N172 HydrophobicContact CG-CB 4.03Å; E170-N172 PolarHBondContact O-N 3.49Å
173	S	82.2	Confident	87.4	Confident	18 Å²	18	76 Å²	76	13%	0.126	41%	0.41	C	S	.	.	S	Bend	trans	-62.7	148.9	170.7	178.7	0	0	0	0	110.3	L166 A168 G169 E170 V171 N175	L166-S173 WeakPolarHBondContact O-CB 3.4Å; L166-S173 PolarHBondContact O-OG 3.37Å; L166-S173 VanDerWaalsContact O-OG 3.13Å; A168-S173 PolarHBondContact N-OG 3.27Å; G169-S173 PolarHBondContact N-OG 3.41Å; E170-S173 WeakPolarHBondContact O-CB 3.34Å; E170-S173 PolarHBondContact O-N 3.15Å; V171-S173 PolarHBondContact O-N 3.19Å; V171-S173 VanDerWaalsContact O-N 3.12Å; S173-N175 PolarHBondContact O-N 3.26Å
174	P	87.1	Confident	88	Confident	23 Å²	23	73.1 Å²	73.1	15%	0.149	39%	0.389	C	S	.	.			trans	-52.7	125	169.7	-26.9	36	0	0	0	111.4	L162 F167 T178 I179	L162-P174 HydrophobicContact CD1-CB 3.92Å; L162-P174 HydrophobicContact CD1-CG 3.79Å; F167-P174 HydrophobicContact CD2-CB 4.3Å; F167-P174 HydrophobicContact CD2-CG 4.08Å; F167-P174 HydrophobicContact CE2-CB 4.19Å; F167-P174 HydrophobicContact CE2-CG 4.45Å; P174-T178 WeakPolarHBondContact CA-OG1 3.37Å; P174-I179 HydrophobicContact CB-CD1 4.32Å; P174-I179 HydrophobicContact CB-CG1 3.87Å
175	N	90.9	Very high	88.5	Confident	87 Å²	87	70.6 Å²	70.6	47%	0.465	38%	0.379	S	S	.	.			trans	-93	174.5	171.2	67.3	15.9	0	0	0	110.8	S173 E177 T178 I179	S173-N175 PolarHBondContact O-N 3.26Å; N175-E177 VanDerWaalsContact C-N 3.27Å; N175-E177 PolarHBondContact O-N 2.56Å; N175-E177 PolarHBondContact OD1-N 3.28Å; N175-T178 PolarHBondContact N-OG1 2.93Å; N175-T178 PolarHBondContact O-N 3.33Å; N175-T178 PolarHBondContact O-OG1 3.31Å; N175-T178 WeakPolarHBondContact OD1-CB 3.33Å; N175-T178 WeakPolarHBondContact OD1-CG2 3.43Å; N175-T178 PolarHBondContact OD1-N 3.06Å; N175-T178 PolarHBondContact OD1-OG1 2.9Å; N175-I179 WeakPolarHBondContact O-CB 3.31Å; N175-I179 WeakPolarHBondContact O-CD1 3.36Å; N175-I179 WeakPolarHBondContact O-CG1 3.01Å; N175-I179 PolarHBondContact O-N 2.88Å
176	E	91.3	Very high	89.1	Confident	155 Å²	155	69.2 Å²	69.2	72%	0.724	37%	0.373	S	S	*	.	H	α-helix	trans	-55.8	-39.2	-178.1	-65.8	-173.6	-176.7	0	0	113.8	R180	E176-R180 WeakPolarHBondContact O-CB 3.31Å; E176-R180 PolarHBondContact O-N 2.88Å
177	E	93.4	Very high	89.7	Confident	119 Å²	119	67.3 Å²	67.3	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-66.2	-50.7	179.4	-173.8	-175.2	171.8	0	0	111.5	N175 I179 R180 N181	N175-E177 VanDerWaalsContact C-N 3.27Å; N175-E177 PolarHBondContact O-N 2.56Å; N175-E177 PolarHBondContact OD1-N 3.28Å; E177-I179 VanDerWaalsContact C-N 3.29Å; E177-I179 PolarHBondContact O-N 3.49Å; E177-R180 WeakPolarHBondContact O-CB 3.43Å; E177-R180 PolarHBondContact O-N 2.76Å; E177-R180 VanDerWaalsContact O-N 3.16Å; E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 3.24Å; E177-N181 PolarHBondContact O-OD1 2.96Å
178	T	93.7	Very high	90.2	Very high	41 Å²	41	64.9 Å²	64.9	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-34.9	178.3	55.5	0	0	0	0	112.2	L162 P174 N175 I182	L162-T178 HydrophobicContact CD2-CG2 4.49Å; P174-T178 WeakPolarHBondContact CA-OG1 3.37Å; N175-T178 PolarHBondContact N-OG1 2.93Å; N175-T178 PolarHBondContact O-N 3.33Å; N175-T178 PolarHBondContact O-OG1 3.31Å; N175-T178 WeakPolarHBondContact OD1-CB 3.33Å; N175-T178 WeakPolarHBondContact OD1-CG2 3.43Å; N175-T178 PolarHBondContact OD1-N 3.06Å; N175-T178 PolarHBondContact OD1-OG1 2.9Å; T178-I182 WeakPolarHBondContact O-CG2 3.34Å; T178-I182 PolarHBondContact O-N 3.34Å
179	I	95.5	Very high	90.8	Very high	41 Å²	41	62.1 Å²	62.1	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-47.5	172.1	-70.9	166.6	0	0	0	110.5	F167 P174 N175 E177 I182 I183 M228	F167-I179 HydrophobicContact CE2-CD1 3.83Å; F167-I179 HydrophobicContact CE2-CG1 4.2Å; F167-I179 HydrophobicContact CZ-CD1 3.89Å; P174-I179 HydrophobicContact CB-CD1 4.32Å; P174-I179 HydrophobicContact CB-CG1 3.87Å; N175-I179 WeakPolarHBondContact O-CB 3.31Å; N175-I179 WeakPolarHBondContact O-CD1 3.36Å; N175-I179 WeakPolarHBondContact O-CG1 3.01Å; N175-I179 PolarHBondContact O-N 2.88Å; E177-I179 VanDerWaalsContact C-N 3.29Å; E177-I179 PolarHBondContact O-N 3.49Å; I179-I182 WeakPolarHBondContact O-CG2 3.47Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CB 3.44Å; I179-I183 WeakPolarHBondContact O-CD1 3.33Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.4Å; I179-I183 PolarHBondContact O-N 3.2Å; I179-I183 VanDerWaalsContact O-N 3.11Å; I179-M228 HydrophobicContact CG2-CE 3.99Å
180	R	97	Very high	92.1	Very high	144 Å²	144	59 Å²	59	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-48.5	176.7	-170.8	-172.6	-52.4	-101.4	-1.1	111.3	E176 E177 I182 I183 H184	E176-R180 WeakPolarHBondContact O-CB 3.31Å; E176-R180 PolarHBondContact O-N 2.88Å; E177-R180 WeakPolarHBondContact O-CB 3.43Å; E177-R180 PolarHBondContact O-N 2.76Å; E177-R180 VanDerWaalsContact O-N 3.16Å; R180-I182 PolarHBondContact O-N 3.39Å; R180-I183 PolarHBondContact O-N 3.04Å; R180-H184 WeakPolarHBondContact O-CB 3.37Å; R180-H184 PolarHBondContact O-CD2 2.94Å; R180-H184 PolarHBondContact O-N 3.47Å
181	N	98	Very high	93.4	Very high	26 Å²	26	55.2 Å²	55.2	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-46.2	-178.3	-70	-11.1	0	0	0	111.7	T133 M160 E177 H184 C185	T133-N181 HydrophobicContact CG2-CB 3.87Å; M160-N181 HydrophobicContact CE-CB 4.46Å; M160-N181 HydrophobicContact SD-CB 4.1Å; E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 3.24Å; E177-N181 PolarHBondContact O-OD1 2.96Å; N181-H184 PolarHBondContact O-N 3.07Å; N181-C185 WeakPolarHBondContact O-CB 3.34Å; N181-C185 PolarHBondContact O-N 3.17Å
182	I	97.8	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-35.1	178.7	-167.1	164.4	0	0	0	112.4	M160 L162 T178 I179 R180 N186 M228 Y229 T232	M160-I182 HydrophobicContact CG-CB 4.15Å; M160-I182 HydrophobicContact CG-CG1 3.97Å; M160-I182 WeakPolarHBondContact O-CD1 3.47Å; M160-I182 HydrophobicContact SD-CB 4.35Å; L162-I182 HydrophobicContact CD1-CB 4.48Å; L162-I182 HydrophobicContact CD1-CD1 4.14Å; L162-I182 HydrophobicContact CD1-CG2 4.12Å; L162-I182 HydrophobicContact CG-CD1 3.82Å; T178-I182 WeakPolarHBondContact O-CG2 3.34Å; T178-I182 PolarHBondContact O-N 3.34Å; I179-I182 WeakPolarHBondContact O-CG2 3.47Å; R180-I182 PolarHBondContact O-N 3.39Å; I182-N186 HydrophobicContact CG1-CB 4.5Å; I182-N186 VanDerWaalsContact CG1-ND2 3.31Å; I182-N186 WeakPolarHBondContact CG1-ND2 3.27Å; I182-N186 WeakPolarHBondContact O-CB 3.36Å; I182-N186 PolarHBondContact O-N 2.86Å; I182-M228 HydrophobicContact CD1-CB 4.29Å; I182-M228 HydrophobicContact CG2-CB 3.99Å; I182-M228 HydrophobicContact CG2-CE 4.16Å; I182-Y229 HydrophobicContact CD1-CD2 4.44Å; I182-T232 HydrophobicContact CG1-CG2 4.44Å
183	I	98.6	Very high	95.9	Very high	64 Å²	64	44.8 Å²	44.8	33%	0.328	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-46.5	174.9	-71	168.8	0	0	0	110.4	I179 R180 I187 L188 M228 T232	I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 WeakPolarHBondContact O-CB 3.44Å; I179-I183 WeakPolarHBondContact O-CD1 3.33Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.4Å; I179-I183 PolarHBondContact O-N 3.2Å; I179-I183 VanDerWaalsContact O-N 3.11Å; R180-I183 PolarHBondContact O-N 3.04Å; I183-I187 HydrophobicContact CG2-CD1 4.46Å; I183-I187 WeakPolarHBondContact O-CA 3.37Å; I183-I187 VanDerWaalsContact O-CB 3.31Å; I183-I187 WeakPolarHBondContact O-CB 3.38Å; I183-I187 PolarHBondContact O-N 3.3Å; I183-L188 PolarHBondContact O-N 3.17Å; I183-M228 HydrophobicContact CD1-CE 3.94Å; I183-M228 HydrophobicContact CG1-CE 3.9Å; I183-T232 HydrophobicContact CG1-CG2 4.33Å
184	H	98.6	Very high	96.6	Very high	27 Å²	27	44.1 Å²	44.1	13%	0.125	22%	0.22	C	C	.	.	I	π-helix	trans	-60.8	-52.4	177.9	-78.4	-146.7	0	0	0	111	F132 T133 N135 R180 N181 L188 S189	F132-H184 CarbonylContact O-C 3.17Å; F132-H184 VanDerWaalsContact O-C 3.31Å; F132-H184 WeakPolarHBondContact O-CB 3.46Å; T133-H184 PolarHBondContact O-ND1 3.33Å; N135-H184 PolarHBondContact OD1-CE1 3.41Å; N135-H184 PolarHBondContact OD1-ND1 2.95Å; R180-H184 WeakPolarHBondContact O-CB 3.37Å; R180-H184 PolarHBondContact O-CD2 2.94Å; R180-H184 PolarHBondContact O-N 3.47Å; N181-H184 PolarHBondContact O-N 3.07Å; H184-L188 WeakPolarHBondContact O-CB 3.47Å; H184-L188 PolarHBondContact O-N 3.47Å; H184-S189 PolarHBondContact O-N 3.27Å
185	C	98.7	Very high	97.2	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.061	24%	0.237	C	C	.	.	I	π-helix	trans	-69.4	-37.6	-175.2	-174.5	0	0	0	0	113	F132 T133 M160 N181 S189	F132-C185 WeakPolarHBondContact O-CA 3.43Å; F132-C185 PolarHBondContact O-N 3.3Å; T133-C185 HydrophobicContact CG2-CB 4.1Å; M160-C185 HydrophobicContact CG-CB 4Å; M160-C185 HydrophobicContact SD-CB 3.92Å; N181-C185 WeakPolarHBondContact O-CB 3.34Å; N181-C185 PolarHBondContact O-N 3.17Å; C185-S189 WeakPolarHBondContact O-CB 3.48Å; C185-S189 PolarHBondContact O-OG 3.28Å
186	N	98.7	Very high	97.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	22%	0.222	C	C	.	.	I	π-helix	trans	-94.4	-27.3	-175.4	-67.1	1.6	0	0	0	114.5	G159 M160 I182 T232 I236	G159-N186 WeakPolarHBondContact CA-OD1 3.28Å; M160-N186 PolarHBondContact N-OD1 2.9Å; M160-N186 PolarHBondContact O-ND2 3.42Å; M160-N186 PolarHBondContact O-OD1 3.49Å; I182-N186 HydrophobicContact CG1-CB 4.5Å; I182-N186 VanDerWaalsContact CG1-ND2 3.31Å; I182-N186 WeakPolarHBondContact CG1-ND2 3.27Å; I182-N186 WeakPolarHBondContact O-CB 3.36Å; I182-N186 PolarHBondContact O-N 2.86Å; N186-T232 HydrophobicContact CB-CG2 4.23Å; N186-T232 PolarHBondContact ND2-OG1 3.33Å; N186-I236 WeakPolarHBondContact O-CD1 3.19Å; N186-I236 VanDerWaalsContact O-CG1 3.31Å; N186-I236 WeakPolarHBondContact O-CG1 3.19Å
187	I	98.8	Very high	97.9	Very high	47 Å²	47	36.3 Å²	36.3	24%	0.241	19%	0.188	C	C	.	.	I	π-helix	trans	-109.5	-61.3	-177.7	-55	-179.7	0	0	0	110.6	I183 S189 A190 V191 T232 A235	I183-I187 HydrophobicContact CG2-CD1 4.46Å; I183-I187 WeakPolarHBondContact O-CA 3.37Å; I183-I187 VanDerWaalsContact O-CB 3.31Å; I183-I187 WeakPolarHBondContact O-CB 3.38Å; I183-I187 PolarHBondContact O-N 3.3Å; I187-S189 VanDerWaalsContact C-N 3.26Å; I187-S189 PolarHBondContact O-N 3.47Å; I187-A190 PolarHBondContact O-N 3.26Å; I187-V191 HydrophobicContact CG2-CG2 4.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.42Å; I187-V191 PolarHBondContact O-N 3.47Å; I187-V191 VanDerWaalsContact O-N 3.12Å; I187-T232 HydrophobicContact CD1-CG2 3.83Å; I187-T232 HydrophobicContact CG1-CG2 3.92Å; I187-A235 HydrophobicContact CD1-CB 3.77Å; I187-A235 HydrophobicContact CG1-CB 4.16Å
188	L	98.7	Very high	98.2	Very high	58 Å²	58	31.4 Å²	31.4	30%	0.304	17%	0.165	S	C	.	.	I	π-helix	trans	-61.3	-37.8	-171	-174.2	62.4	0	0	0	111.4	Y138 I183 H184 V191 T192	Y138-L188 HydrophobicContact CE2-CD2 4.36Å; Y138-L188 HydrophobicContact CE2-CG 4.39Å; Y138-L188 PolarHBondContact OH-O 3.04Å; I183-L188 PolarHBondContact O-N 3.17Å; H184-L188 WeakPolarHBondContact O-CB 3.47Å; H184-L188 PolarHBondContact O-N 3.47Å; L188-V191 PolarHBondContact O-N 3.44Å; L188-T192 WeakPolarHBondContact CD1-OG1 3.32Å; L188-T192 VanDerWaalsContact O-CB 3.24Å; L188-T192 WeakPolarHBondContact O-CB 3.35Å; L188-T192 PolarHBondContact O-N 3.22Å; L188-T192 PolarHBondContact O-OG1 2.91Å
189	S	98.8	Very high	98.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-53	-57.5	174.6	68.9	0	0	0	0	112.1	F132 Y138 V158 H184 C185 I187 V191 T192 M193	F132-S189 VanDerWaalsContact CD1-CB 3.46Å; Y138-S189 WeakPolarHBondContact OH-CA 3.33Å; Y138-S189 PolarHBondContact OH-N 2.94Å; V158-S189 WeakPolarHBondContact CG1-OG 3.23Å; H184-S189 PolarHBondContact O-N 3.27Å; C185-S189 WeakPolarHBondContact O-CB 3.48Å; C185-S189 PolarHBondContact O-OG 3.28Å; I187-S189 VanDerWaalsContact C-N 3.26Å; I187-S189 PolarHBondContact O-N 3.47Å; S189-V191 PolarHBondContact O-N 3.1Å; S189-T192 PolarHBondContact O-N 3.35Å; S189-M193 VanDerWaalsContact O-CB 3.23Å; S189-M193 WeakPolarHBondContact O-CB 3.47Å; S189-M193 WeakPolarHBondContact O-CG 3.4Å; S189-M193 PolarHBondContact O-N 3.46Å
190	A	98.8	Very high	98.4	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-40	-175.9	0	0	0	0	0	111.8	N156 I187 T194 I236	N156-A190 HydrophobicContact CB-CB 3.87Å; N156-A190 PolarHBondContact ND2-O 2.77Å; I187-A190 PolarHBondContact O-N 3.26Å; A190-T194 WeakPolarHBondContact O-CB 3.33Å; A190-T194 PolarHBondContact O-N 3.15Å; A190-T194 PolarHBondContact O-OG1 2.63Å; A190-I236 HydrophobicContact CB-CD1 3.6Å
191	V	98.8	Very high	98.4	Very high	51 Å²	51	27.5 Å²	27.5	31%	0.309	15%	0.152	S	C	.	.	H	α-helix	trans	-67.4	-46.5	179.1	176	0	0	0	0	110.9	I187 L188 S189 T194 S195 F239	I187-V191 HydrophobicContact CG2-CG2 4.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.42Å; I187-V191 PolarHBondContact O-N 3.47Å; I187-V191 VanDerWaalsContact O-N 3.12Å; L188-V191 PolarHBondContact O-N 3.44Å; S189-V191 PolarHBondContact O-N 3.1Å; V191-T194 WeakPolarHBondContact O-CB 3.29Å; V191-T194 PolarHBondContact O-N 2.89Å; V191-S195 PolarHBondContact O-N 3.15Å; V191-F239 HydrophobicContact CB-CE2 4.49Å; V191-F239 HydrophobicContact CB-CZ 4.45Å; V191-F239 HydrophobicContact CG1-CE2 4.19Å; V191-F239 HydrophobicContact CG1-CZ 4.45Å; V191-F239 HydrophobicContact CG2-CD1 4.34Å; V191-F239 HydrophobicContact CG2-CD2 4Å; V191-F239 HydrophobicContact CG2-CE1 4.34Å; V191-F239 HydrophobicContact CG2-CE2 4.01Å; V191-F239 HydrophobicContact CG2-CG 4.17Å; V191-F239 HydrophobicContact CG2-CZ 4.18Å
192	T	98.8	Very high	98.4	Very high	22 Å²	22	28.7 Å²	28.7	14%	0.135	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-42.4	-177.6	-47	0	0	0	0	111.6	Y138 L188 S189 T194 S195 I196	Y138-T192 HydrophobicContact CD1-CG2 3.6Å; Y138-T192 HydrophobicContact CD2-CG2 4.04Å; Y138-T192 HydrophobicContact CE1-CG2 3.7Å; Y138-T192 HydrophobicContact CE2-CG2 4.15Å; Y138-T192 HydrophobicContact CG-CG2 3.77Å; L188-T192 WeakPolarHBondContact CD1-OG1 3.32Å; L188-T192 VanDerWaalsContact O-CB 3.24Å; L188-T192 WeakPolarHBondContact O-CB 3.35Å; L188-T192 PolarHBondContact O-N 3.22Å; L188-T192 PolarHBondContact O-OG1 2.91Å; S189-T192 PolarHBondContact O-N 3.35Å; T192-T194 VanDerWaalsContact C-N 3.25Å; T192-T194 PolarHBondContact O-N 3.38Å; T192-S195 PolarHBondContact O-N 3.12Å; T192-S195 VanDerWaalsContact O-N 3.14Å; T192-S195 PolarHBondContact O-OG 3.05Å; T192-I196 HydrophobicContact CG2-CD1 4.01Å; T192-I196 WeakPolarHBondContact O-CD1 3.49Å; T192-I196 VanDerWaalsContact O-CG1 3.24Å; T192-I196 WeakPolarHBondContact O-CG1 3.35Å; T192-I196 PolarHBondContact O-N 3.11Å
193	M	98.9	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-39.7	174.2	-70.7	-58.8	-60.8	0	0	111.4	V77 T79 I103 F132 I141 L154 N156 S189 I196 I197	V77-M193 HydrophobicContact CG1-CE 3.97Å; T79-M193 HydrophobicContact CG2-CE 4.15Å; T79-M193 HydrophobicContact CG2-CG 4.09Å; I103-M193 HydrophobicContact CD1-CE 3.72Å; F132-M193 HydrophobicContact CE1-CG 3.94Å; F132-M193 HydrophobicContact CE1-SD 4Å; F132-M193 HydrophobicContact CZ-CG 4.3Å; F132-M193 HydrophobicContact CZ-SD 4.16Å; I141-M193 HydrophobicContact CD1-SD 4.15Å; I141-M193 HydrophobicContact CG2-CE 3.88Å; I141-M193 HydrophobicContact CG2-SD 3.71Å; L154-M193 HydrophobicContact CD1-CB 4.41Å; L154-M193 HydrophobicContact CD1-CE 4.33Å; L154-M193 HydrophobicContact CD2-CB 4.12Å; N156-M193 WeakPolarHBondContact OD1-CB 3.35Å; S189-M193 VanDerWaalsContact O-CB 3.23Å; S189-M193 WeakPolarHBondContact O-CB 3.47Å; S189-M193 WeakPolarHBondContact O-CG 3.4Å; S189-M193 PolarHBondContact O-N 3.46Å; M193-I196 PolarHBondContact O-N 3.17Å; M193-I197 HydrophobicContact CE-CD1 3.85Å; M193-I197 WeakPolarHBondContact O-CB 3.41Å; M193-I197 PolarHBondContact O-N 3.45Å
194	T	98.9	Very high	98.2	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-45.9	173.2	-62.1	0	0	0	0	111.3	N156 A190 V191 T192 I196 I197 L198 I211 F239 L243	N156-T194 PolarHBondContact ND2-OG1 3.35Å; N156-T194 VanDerWaalsContact ND2-OG1 3.15Å; A190-T194 WeakPolarHBondContact O-CB 3.33Å; A190-T194 PolarHBondContact O-N 3.15Å; A190-T194 PolarHBondContact O-OG1 2.63Å; V191-T194 WeakPolarHBondContact O-CB 3.29Å; V191-T194 PolarHBondContact O-N 2.89Å; T192-T194 VanDerWaalsContact C-N 3.25Å; T192-T194 PolarHBondContact O-N 3.38Å; T194-I196 VanDerWaalsContact C-N 3.27Å; T194-I196 PolarHBondContact O-N 3.49Å; T194-I197 PolarHBondContact O-N 3.36Å; T194-L198 HydrophobicContact CG2-CB 4.26Å; T194-L198 HydrophobicContact CG2-CD2 4.31Å; T194-L198 WeakPolarHBondContact O-CB 3.33Å; T194-L198 PolarHBondContact O-N 3.45Å; T194-I211 HydrophobicContact CG2-CD1 3.69Å; T194-F239 HydrophobicContact CG2-CE1 4.18Å; T194-F239 HydrophobicContact CG2-CZ 3.82Å; T194-L243 HydrophobicContact CG2-CD2 3.65Å
195	S	98.6	Very high	98	Very high	73 Å²	73	40.9 Å²	40.9	51%	0.51	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-29.2	-179.8	73.8	0	0	0	0	113.4	V191 T192 P199	V191-S195 PolarHBondContact O-N 3.15Å; T192-S195 PolarHBondContact O-N 3.12Å; T192-S195 VanDerWaalsContact O-N 3.14Å; T192-S195 PolarHBondContact O-OG 3.05Å; S195-P199 WeakPolarHBondContact O-CD 3.34Å; S195-P199 WeakPolarHBondContact O-CG 3.41Å
196	I	98.7	Very high	97.9	Very high	28 Å²	28	43 Å²	43	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-73	-45.1	175	-66.4	163	0	0	0	111.2	Y138 K142 I145 T192 M193 T194	Y138-I196 HydrophobicContact CD1-CD1 4.21Å; K142-I196 HydrophobicContact CD-CD1 4.35Å; K142-I196 HydrophobicContact CG-CD1 3.56Å; K142-I196 HydrophobicContact CG-CG1 3.88Å; K142-I196 HydrophobicContact CG-CG2 4.28Å; I145-I196 HydrophobicContact CB-CG2 4.43Å; I145-I196 HydrophobicContact CG2-CG2 4.08Å; T192-I196 HydrophobicContact CG2-CD1 4.01Å; T192-I196 WeakPolarHBondContact O-CD1 3.49Å; T192-I196 VanDerWaalsContact O-CG1 3.24Å; T192-I196 WeakPolarHBondContact O-CG1 3.35Å; T192-I196 PolarHBondContact O-N 3.11Å; M193-I196 PolarHBondContact O-N 3.17Å; T194-I196 VanDerWaalsContact C-N 3.27Å; T194-I196 PolarHBondContact O-N 3.49Å
197	I	98.8	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-93.2	-35.2	-167.7	-69.8	167.4	0	0	0	112.9	V77 I145 I151 L154 M193 T194 R200 M201	V77-I197 HydrophobicContact CB-CD1 4.07Å; V77-I197 HydrophobicContact CG1-CD1 4.04Å; V77-I197 HydrophobicContact CG2-CD1 4.06Å; I145-I197 HydrophobicContact CD1-CD1 3.95Å; I145-I197 HydrophobicContact CD1-CG1 4.33Å; I145-I197 HydrophobicContact CG2-CG1 4.04Å; I151-I197 HydrophobicContact CB-CG2 4.49Å; I151-I197 HydrophobicContact CD1-CG1 4.27Å; I151-I197 HydrophobicContact CD1-CG2 4.05Å; I151-I197 HydrophobicContact CG2-CG2 4.05Å; L154-I197 HydrophobicContact CB-CD1 4.33Å; L154-I197 HydrophobicContact CB-CG2 4.33Å; L154-I197 HydrophobicContact CD1-CD1 3.71Å; L154-I197 HydrophobicContact CD2-CB 4.28Å; L154-I197 HydrophobicContact CD2-CD1 3.94Å; L154-I197 HydrophobicContact CG-CD1 4.2Å; M193-I197 HydrophobicContact CE-CD1 3.85Å; M193-I197 WeakPolarHBondContact O-CB 3.41Å; M193-I197 PolarHBondContact O-N 3.45Å; T194-I197 PolarHBondContact O-N 3.36Å; I197-R200 WeakPolarHBondContact O-CB 3.01Å; I197-R200 PolarHBondContact O-N 2.9Å; I197-M201 HydrophobicContact CG2-CE 3.65Å; I197-M201 HydrophobicContact CG2-CG 3.95Å; I197-M201 HydrophobicContact CG2-SD 3.97Å; I197-M201 PolarHBondContact O-N 3.08Å
198	L	98.7	Very high	97.3	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-44	-176.1	178.3	63.9	0	0	0	113.1	T194 R200 M201 L202 I211 L243 I252	T194-L198 HydrophobicContact CG2-CB 4.26Å; T194-L198 HydrophobicContact CG2-CD2 4.31Å; T194-L198 WeakPolarHBondContact O-CB 3.33Å; T194-L198 PolarHBondContact O-N 3.45Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 3.29Å; L198-M201 WeakPolarHBondContact O-CB 3.38Å; L198-M201 PolarHBondContact O-N 3.14Å; L198-L202 HydrophobicContact CD1-CD1 4.28Å; L198-L202 HydrophobicContact CD1-CG 4.19Å; L198-L202 HydrophobicContact CG-CD1 4.02Å; L198-L202 HydrophobicContact CG-CG 4.39Å; L198-L202 VanDerWaalsContact O-CG 3.32Å; L198-L202 WeakPolarHBondContact O-CG 3.37Å; L198-L202 PolarHBondContact O-N 3.33Å; L198-I211 HydrophobicContact CB-CD1 4.25Å; L198-I211 HydrophobicContact CD1-CD1 4.18Å; L198-L243 HydrophobicContact CD2-CD1 3.81Å; L198-I252 HydrophobicContact CD1-CD1 3.47Å; L198-I252 VanDerWaalsContact CD1-CD1 3.47Å; L198-I252 HydrophobicContact CD1-CG2 4.25Å
199	P	97	Very high	97.2	Very high	69 Å²	69	43.4 Å²	43.4	45%	0.448	24%	0.235	S	C	.	.	H	α-helix	trans	-57.9	-36.5	175.7	-26	36.3	0	0	0	113.3	S195 L202 T203	S195-P199 WeakPolarHBondContact O-CD 3.34Å; S195-P199 WeakPolarHBondContact O-CG 3.41Å; P199-L202 PolarHBondContact O-N 2.97Å; P199-T203 WeakPolarHBondContact O-CG2 3.41Å; P199-T203 PolarHBondContact O-N 2.75Å; P199-T203 PolarHBondContact O-OG1 3.45Å; P199-T203 VanDerWaalsContact O-OG1 3.06Å
200	R	96	Very high	97.2	Very high	74 Å²	74	43.3 Å²	43.3	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-45.2	175.7	-62.8	-174.7	66.4	110.8	-5.9	111.6	E146 L148 S149 I197 L198 L202 T203 Q204	E146-R200 PolarHBondContact O-NH1 3.48Å; L148-R200 PolarHBondContact O-NH2 2.87Å; S149-R200 PolarHBondContact O-NH2 3.18Å; I197-R200 WeakPolarHBondContact O-CB 3.01Å; I197-R200 PolarHBondContact O-N 2.9Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 3.29Å; R200-L202 PolarHBondContact O-N 3.02Å; R200-T203 PolarHBondContact O-N 3Å; R200-T203 VanDerWaalsContact O-N 3.09Å; R200-T203 PolarHBondContact O-OG1 2.92Å; R200-Q204 PolarHBondContact O-N 3.36Å
201	M	98.2	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-36.9	174.8	-73.6	-177.5	168.1	0	0	111.6	I151 L154 I197 L198 P209 G210 I211 K250 I252	I151-M201 HydrophobicContact CB-CE 4.44Å; I151-M201 HydrophobicContact CG2-CE 3.73Å; L154-M201 HydrophobicContact CB-CE 4.07Å; I197-M201 HydrophobicContact CG2-CE 3.65Å; I197-M201 HydrophobicContact CG2-CG 3.95Å; I197-M201 HydrophobicContact CG2-SD 3.97Å; I197-M201 PolarHBondContact O-N 3.08Å; L198-M201 WeakPolarHBondContact O-CB 3.38Å; L198-M201 PolarHBondContact O-N 3.14Å; M201-P209 HydrophobicContact CB-CB 4.06Å; M201-P209 HydrophobicContact CB-CG 3.79Å; M201-P209 HydrophobicContact CE-CB 4.38Å; M201-P209 HydrophobicContact CG-CB 3.86Å; M201-P209 HydrophobicContact CG-CG 4.18Å; M201-P209 HydrophobicContact SD-CB 4.04Å; M201-G210 WeakPolarHBondContact CE-O 3.45Å; M201-I211 HydrophobicContact CE-CG1 4.39Å; M201-I211 HydrophobicContact SD-CD1 4.33Å; M201-I211 HydrophobicContact SD-CG1 3.88Å; M201-K250 VanDerWaalsContact O-CD 3.25Å; M201-K250 WeakPolarHBondContact O-CD 3.47Å; M201-K250 WeakPolarHBondContact O-CE 3.49Å; M201-K250 PolarHBondContact O-NZ 3.28Å; M201-I252 HydrophobicContact CB-CD1 3.92Å
202	L	97.2	Very high	97.2	Very high	52 Å²	52	40.7 Å²	40.7	27%	0.272	22%	0.218	S	C	.	.	H	α-helix	trans	-69.9	-32.4	177.6	-72.8	170	0	0	0	113.3	L198 P199 R200 Y248 K250 I252	L198-L202 HydrophobicContact CD1-CD1 4.28Å; L198-L202 HydrophobicContact CD1-CG 4.19Å; L198-L202 HydrophobicContact CG-CD1 4.02Å; L198-L202 HydrophobicContact CG-CG 4.39Å; L198-L202 VanDerWaalsContact O-CG 3.32Å; L198-L202 WeakPolarHBondContact O-CG 3.37Å; L198-L202 PolarHBondContact O-N 3.33Å; P199-L202 PolarHBondContact O-N 2.97Å; R200-L202 PolarHBondContact O-N 3.02Å; L202-Y248 HydrophobicContact CD1-CD1 3.93Å; L202-Y248 HydrophobicContact CD1-CE1 4.13Å; L202-Y248 HydrophobicContact CD1-CG 4.42Å; L202-Y248 VanDerWaalsContact CD2-CB 3.48Å; L202-Y248 HydrophobicContact CD2-CD1 3.83Å; L202-Y248 HydrophobicContact CD2-CD2 4.07Å; L202-Y248 HydrophobicContact CD2-CG 3.51Å; L202-K250 HydrophobicContact CD2-CB 4.43Å; L202-K250 VanDerWaalsContact O-CE 3.27Å; L202-K250 WeakPolarHBondContact O-CE 3.32Å; L202-I252 HydrophobicContact CB-CD1 4.49Å; L202-I252 HydrophobicContact CD2-CD1 3.29Å; L202-I252 HydrophobicContact CD2-CG1 4.1Å; L202-I252 HydrophobicContact CG-CD1 3.56Å
203	T	95.6	Very high	97.2	Very high	117 Å²	117	39.6 Å²	39.6	72%	0.718	21%	0.211	S	C	*	.	H	α-helix	trans	-98	-19.6	-173.5	55.9	0	0	0	0	115.1	P199 R200	P199-T203 WeakPolarHBondContact O-CG2 3.41Å; P199-T203 PolarHBondContact O-N 2.75Å; P199-T203 PolarHBondContact O-OG1 3.45Å; P199-T203 VanDerWaalsContact O-OG1 3.06Å; R200-T203 PolarHBondContact O-N 3Å; R200-T203 VanDerWaalsContact O-N 3.09Å; R200-T203 PolarHBondContact O-OG1 2.92Å
204	Q	96	Very high	97.2	Very high	26 Å²	26	40 Å²	40	12%	0.121	21%	0.213	C	C	.	.	S	Bend	trans	-62.4	171.3	177.3	71.4	-167.1	48.5	0	0	112.2	A72 T150 I151 R200 E206 K250	A72-Q204 PolarHBondContact O-NE2 3.24Å; T150-Q204 HydrophobicContact CG2-CB 4.19Å; I151-Q204 VanDerWaalsContact N-OE1 3.11Å; I151-Q204 PolarHBondContact O-NE2 3.18Å; I151-Q204 PolarHBondContact O-OE1 2.93Å; R200-Q204 PolarHBondContact O-N 3.36Å; Q204-E206 WeakPolarHBondContact CB-OE2 3.25Å; Q204-K250 VanDerWaalsContact C-NZ 3.29Å; Q204-K250 WeakPolarHBondContact O-CE 3.4Å; Q204-K250 PolarHBondContact O-NZ 3.2Å
205	K	96.1	Very high	97.2	Very high	203 Å²	203	39.9 Å²	39.9	88%	0.883	21%	0.213	S	C	*	.	S	Bend	trans	-89.1	-24.4	-177.6	-69.8	-179.5	-179.3	176.2	0	112.5
206	E	96	Very high	97.2	Very high	54 Å²	54	37 Å²	37	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-70	143.3	-170.6	-66.2	69.7	-152	0	0	111.5	K71 A72 T150 Q204 K250	K71-E206 WeakPolarHBondContact O-CB 3.18Å; A72-E206 VanDerWaalsContact C-CB 3.42Å; A72-E206 WeakPolarHBondContact O-CB 3.43Å; T150-E206 VanDerWaalsContact CG2-OE2 3.23Å; T150-E206 WeakPolarHBondContact CG2-OE2 3.43Å; Q204-E206 WeakPolarHBondContact CB-OE2 3.25Å; E206-K250 PolarHBondContact O-NZ 3.27Å
207	P	93.1	Very high	97.1	Very high	73 Å²	73	36.9 Å²	36.9	47%	0.474	19%	0.191	S	C	.	.	S	Bend	trans	-84.6	150.4	-176.6	33.9	-36.3	0	0	0	112.6	A72 P209	A72-P207 VanDerWaalsContact CA-O 3.25Å; A72-P207 WeakPolarHBondContact CA-O 3.45Å; A72-P207 WeakPolarHBondContact CB-O 3.48Å; P207-P209 VanDerWaalsContact C-CD 3.47Å
208	N	90.6	Very high	97	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	19%	0.193	C	C	.	.			trans	56.7	42.9	167.8	-48.8	-49.7	0	0	0	116.5	N251 I253 Y290	N208-N251 WeakPolarHBondContact CA-O 3.22Å; N208-N251 PolarHBondContact OD1-ND2 3.35Å; N208-I253 HydrophobicContact CB-CD1 4.33Å; N208-Y290 PolarHBondContact O-OH 3.11Å
209	P	97.8	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.			trans	-63.4	163.4	166.3	32.8	-35.6	0	0	0	109.7	A152 M201 P207 K250 I252 I253	A152-P209 CarbonylContact O-C 3.52Å; A152-P209 WeakPolarHBondContact O-CA 3.45Å; M201-P209 HydrophobicContact CB-CB 4.06Å; M201-P209 HydrophobicContact CB-CG 3.79Å; M201-P209 HydrophobicContact CE-CB 4.38Å; M201-P209 HydrophobicContact CG-CB 3.86Å; M201-P209 HydrophobicContact CG-CG 4.18Å; M201-P209 HydrophobicContact SD-CB 4.04Å; P207-P209 VanDerWaalsContact C-CD 3.47Å; P209-K250 HydrophobicContact CG-CD 4.22Å; P209-I252 HydrophobicContact CG-CD1 4.47Å; P209-I252 HydrophobicContact CG-CG1 4.17Å; P209-I252 WeakPolarHBondContact O-CA 3.31Å; P209-I253 PolarHBondContact O-N 3.17Å
210	G	98.4	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	162.8	-179.1	0	0	0	0	0	116.4	A152 C153 L154 M201 I253 Y290	A152-G210 PolarHBondContact O-N 3.24Å; C153-G210 CarbonylContact C-O 3.39Å; C153-G210 VanDerWaalsContact CA-O 3.24Å; C153-G210 WeakPolarHBondContact CA-O 3.45Å; L154-G210 PolarHBondContact N-O 3.22Å; M201-G210 WeakPolarHBondContact CE-O 3.45Å; G210-I253 CarbonylContact C-O 3.51Å; G210-I253 WeakPolarHBondContact CA-O 3.48Å; G210-Y290 WeakPolarHBondContact CA-OH 3.49Å; G210-Y290 PolarHBondContact N-OH 3.05Å
211	I	98.9	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.9	-178.4	-55.3	-176.2	0	0	0	107.6	L154 T194 L198 M201 N213 I253 I254 Q255	L154-I211 HydrophobicContact CB-CG1 4.29Å; L154-I211 HydrophobicContact CB-CG2 4.42Å; L154-I211 HydrophobicContact CD2-CD1 4.45Å; L154-I211 HydrophobicContact CD2-CG2 4.11Å; L154-I211 HydrophobicContact CG-CG2 4.3Å; L154-I211 CarbonylContact O-C 3.31Å; L154-I211 WeakPolarHBondContact O-CA 3.21Å; T194-I211 HydrophobicContact CG2-CD1 3.69Å; L198-I211 HydrophobicContact CB-CD1 4.25Å; L198-I211 HydrophobicContact CD1-CD1 4.18Å; M201-I211 HydrophobicContact CE-CG1 4.39Å; M201-I211 HydrophobicContact SD-CD1 4.33Å; M201-I211 HydrophobicContact SD-CG1 3.88Å; I211-N213 WeakPolarHBondContact CG2-OD1 3.4Å; I211-I253 PolarHBondContact N-O 3.49Å; I211-I254 HydrophobicContact CB-CD1 3.85Å; I211-I254 HydrophobicContact CD1-CD1 3.97Å; I211-I254 HydrophobicContact CG1-CD1 3.98Å; I211-Q255 PolarHBondContact O-N 2.96Å
212	I	98.9	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.2	175.8	-56.8	176.6	0	0	0	107.9	Y89 L154 V155 N156 I214 Q255 M257 L287 Y290	Y89-I212 HydrophobicContact CE1-CD1 3.88Å; Y89-I212 HydrophobicContact CE1-CG2 4.31Å; L154-I212 PolarHBondContact O-N 2.88Å; V155-I212 CarbonylContact C-O 3.54Å; V155-I212 WeakPolarHBondContact CA-O 3.31Å; V155-I212 HydrophobicContact CG2-CB 4.4Å; V155-I212 HydrophobicContact CG2-CD1 4.46Å; N156-I212 PolarHBondContact N-O 3.42Å; I212-I214 HydrophobicContact CG2-CD1 3.94Å; I212-Q255 CarbonylContact C-O 3.54Å; I212-Q255 WeakPolarHBondContact CA-O 3.49Å; I212-M257 HydrophobicContact CG2-CE 4.29Å; I212-M257 HydrophobicContact CG2-CG 3.93Å; I212-L287 HydrophobicContact CD1-CD2 3.9Å; I212-Y290 HydrophobicContact CD1-CD2 3.78Å; I212-Y290 HydrophobicContact CD1-CE2 4.17Å; I212-Y290 HydrophobicContact CG1-CD2 4.07Å; I212-Y290 HydrophobicContact CG1-CE2 4.14Å
213	N	98.9	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.1	178.2	-65.7	-32.9	0	0	0	110	N156 I211 A215 I236 S240 Q255 T256 M257	N156-N213 VanDerWaalsContact CB-OD1 3.3Å; N156-N213 WeakPolarHBondContact CB-OD1 3.18Å; N156-N213 PolarHBondContact ND2-OD1 3.31Å; I211-N213 WeakPolarHBondContact CG2-OD1 3.4Å; N213-A215 PolarHBondContact O-N 3.44Å; N213-I236 HydrophobicContact CB-CG2 3.78Å; N213-S240 PolarHBondContact ND2-OG 3.32Å; N213-Q255 PolarHBondContact N-O 2.93Å; N213-T256 WeakPolarHBondContact O-CA 3.31Å; N213-M257 PolarHBondContact O-N 2.99Å
214	I	98.9	Very high	96.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	98.1	177.1	-49.7	-56.6	0	0	0	109.6	Y89 V155 N156 N157 I212 K233 M257 P259	Y89-I214 HydrophobicContact CE2-CD1 3.87Å; V155-I214 HydrophobicContact CG1-CG1 4.4Å; N156-I214 PolarHBondContact O-N 3.15Å; N157-I214 HydrophobicContact CB-CB 4.4Å; N157-I214 HydrophobicContact CB-CG1 3.74Å; I212-I214 HydrophobicContact CG2-CD1 3.94Å; I214-K233 PolarHBondContact O-NZ 3.49Å; I214-M257 HydrophobicContact CD1-CB 3.86Å; I214-M257 HydrophobicContact CD1-CG 3.97Å; I214-P259 HydrophobicContact CG2-CG 4.19Å
215	A	98.7	Very high	96	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.195	C	C	.	.			trans	-84.3	-144	171.8	0	0	0	0	0	110.8	N213 I236 I237 T256 M257	N213-A215 PolarHBondContact O-N 3.44Å; A215-I236 HydrophobicContact CB-CG2 4.37Å; A215-I237 HydrophobicContact CB-CD1 4.12Å; A215-I237 HydrophobicContact CB-CG1 3.58Å; A215-T256 HydrophobicContact CB-CG2 3.63Å; A215-M257 CarbonylContact C-O 3.59Å; A215-M257 WeakPolarHBondContact CA-O 3.18Å; A215-M257 WeakPolarHBondContact CB-O 3.4Å; A215-M257 PolarHBondContact N-O 2.92Å
216	S	98.6	Very high	95.8	Very high	14 Å²	14	29.4 Å²	29.4	10%	0.098	16%	0.156	C	C	.	.			trans	-156.8	151.9	172.5	-174.9	0	0	0	0	110.5	S218 A219	S216-S218 WeakPolarHBondContact CB-OG 3.35Å; S216-S218 PolarHBondContact O-N 3.45Å; S216-S218 PolarHBondContact OG-N 3.47Å; S216-S218 PolarHBondContact OG-OG 2.99Å; S216-A219 VanDerWaalsContact O-CB 3.27Å; S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 2.87Å; S216-A219 VanDerWaalsContact O-N 3.13Å
217	Y	97.6	Very high	95.8	Very high	24 Å²	24	29.4 Å²	29.4	9%	0.094	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.9	-25.9	170.3	-177.5	-103.9	0	0	0	112.9	A219 L220 R221 P259 L260 A306 F309	Y217-A219 PolarHBondContact O-N 3.42Å; Y217-A219 VanDerWaalsContact O-N 3.17Å; Y217-L220 HydrophobicContact CD2-CD1 4.03Å; Y217-L220 HydrophobicContact CE2-CD1 4.35Å; Y217-L220 PolarHBondContact O-N 3.05Å; Y217-R221 HydrophobicContact CE1-CG 4.44Å; Y217-R221 WeakPolarHBondContact OH-CD 3.48Å; Y217-P259 WeakPolarHBondContact CB-O 3.29Å; Y217-P259 PolarHBondContact N-O 3.34Å; Y217-L260 HydrophobicContact CD1-CD1 4.12Å; Y217-L260 HydrophobicContact CD1-CD2 4.24Å; Y217-L260 HydrophobicContact CD1-CG 3.9Å; Y217-L260 HydrophobicContact CD2-CD1 3.84Å; Y217-L260 HydrophobicContact CG-CD1 3.56Å; Y217-L260 HydrophobicContact CG-CD2 4.49Å; Y217-L260 HydrophobicContact CG-CG 3.78Å; Y217-A306 HydrophobicContact CD2-CB 3.93Å; Y217-A306 HydrophobicContact CE2-CB 3.42Å; Y217-A306 VanDerWaalsContact CE2-CB 3.42Å; Y217-A306 PolarHBondContact OH-O 3.11Å; Y217-F309 HydrophobicContact CE1-CB 4.48Å; Y217-F309 AromaticContact CE1-CD2 3.81Å; Y217-F309 HydrophobicContact CE1-CD2 3.81Å; Y217-F309 WeakPolarHBondContact OH-CB 3.38Å
218	S	95.9	Very high	95.9	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.042	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.5	175.4	63	0	0	0	0	113.1	S216 L220 S230	S216-S218 WeakPolarHBondContact CB-OG 3.35Å; S216-S218 PolarHBondContact O-N 3.45Å; S216-S218 PolarHBondContact OG-N 3.47Å; S216-S218 PolarHBondContact OG-OG 2.99Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-L220 PolarHBondContact O-N 2.94Å; S218-S230 WeakPolarHBondContact O-CB 3.03Å
219	A	97.6	Very high	96.2	Very high	19 Å²	19	27.3 Å²	27.3	16%	0.157	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-76.4	-12.9	177.2	0	0	0	0	0	114	S216 Y217 K233 A234 I237	S216-A219 VanDerWaalsContact O-CB 3.27Å; S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 2.87Å; S216-A219 VanDerWaalsContact O-N 3.13Å; Y217-A219 PolarHBondContact O-N 3.42Å; Y217-A219 VanDerWaalsContact O-N 3.17Å; A219-K233 VanDerWaalsContact CB-C 3.49Å; A219-K233 HydrophobicContact CB-CB 3.91Å; A219-A234 HydrophobicContact CB-CB 3.86Å; A219-A234 VanDerWaalsContact CB-N 3.31Å; A219-I237 HydrophobicContact CB-CD1 3.59Å; A219-I237 HydrophobicContact CB-CG1 4.47Å
220	L	95.6	Very high	96.2	Very high	80 Å²	80	27.9 Å²	27.9	42%	0.419	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-94.7	-4.6	-178.8	-63.3	-179.5	0	0	0	113.1	Y217 S218 I237 H258	Y217-L220 HydrophobicContact CD2-CD1 4.03Å; Y217-L220 HydrophobicContact CE2-CD1 4.35Å; Y217-L220 PolarHBondContact O-N 3.05Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-L220 PolarHBondContact O-N 2.94Å; L220-I237 HydrophobicContact CD2-CD1 3.61Å; L220-I237 HydrophobicContact CG-CD1 4.1Å; L220-H258 HydrophobicContact CD1-CB 4.42Å
221	R	92	Very high	96.2	Very high	71 Å²	71	31 Å²	31	27%	0.268	17%	0.167	S	C	.	.	S	Bend	trans	-142.5	163.4	-177.2	-56.9	-154.2	-54.2	161.1	6.3	111.1	Y217 Y223 F309	Y217-R221 HydrophobicContact CE1-CG 4.44Å; Y217-R221 WeakPolarHBondContact OH-CD 3.48Å; R221-Y223 PolarHBondContact O-N 2.98Å; R221-F309 PolarHBondContact NH1-O 3.39Å
222	V	94.1	Very high	96.2	Very high	98 Å²	98	31.2 Å²	31.2	59%	0.594	17%	0.168	S	C	*	.			trans	-62.9	119.1	166.2	180	0	0	0	0	108.5	T314 V318	V222-T314 HydrophobicContact CB-CG2 3.87Å; V222-T314 HydrophobicContact CG1-CG2 4.36Å; V222-T314 HydrophobicContact CG2-CG2 3.99Å; V222-V318 HydrophobicContact CG1-CG2 4.2Å
223	Y	92.9	Very high	96.1	Very high	59 Å²	59	31.7 Å²	31.7	23%	0.231	17%	0.17	C	C	.	.			trans	-134.2	79.6	-173.3	-151.7	-104.2	0	0	0	110.1	F164 R221 A226 M321	F164-Y223 AromaticContact CE1-CE1 3.82Å; F164-Y223 HydrophobicContact CE1-CE1 3.82Å; F164-Y223 HydrophobicContact CZ-CE1 4.43Å; R221-Y223 PolarHBondContact O-N 2.98Å; Y223-A226 HydrophobicContact CD1-CB 3.97Å; Y223-A226 HydrophobicContact CE1-CB 4.28Å; Y223-M321 HydrophobicContact CD1-CE 4.38Å; Y223-M321 HydrophobicContact CE1-CE 3.83Å; Y223-M321 HydrophobicContact CE1-SD 4.48Å; Y223-M321 HydrophobicContact CE2-CE 4.28Å; Y223-M321 HydrophobicContact CE2-SD 3.9Å
224	P	92.8	Very high	96.1	Very high	27 Å²	27	33.4 Å²	33.4	18%	0.175	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	163.6	-174.4	31.3	-37.2	0	0	0	111.3	A226 V318 M321	P224-A226 PolarHBondContact O-N 2.9Å; P224-V318 HydrophobicContact CG-CB 4.41Å; P224-V318 HydrophobicContact CG-CG1 4.25Å; P224-V318 HydrophobicContact CG-CG2 4.16Å; P224-M321 HydrophobicContact CG-CB 3.89Å; P224-M321 HydrophobicContact CG-CG 4.4Å
225	Y	92.3	Very high	96.1	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.133	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-15.9	-176.6	-46.6	-80.7	0	0	0	115.4	F164 E165 L166 M321 K322 V325	F164-Y225 CarbonylContact C-O 3.59Å; F164-Y225 VanDerWaalsContact CA-O 3.27Å; F164-Y225 WeakPolarHBondContact CA-O 3.44Å; E165-Y225 PolarHBondContact N-O 2.87Å; E165-Y225 VanDerWaalsContact O-CA 3.28Å; E165-Y225 WeakPolarHBondContact O-CA 3.34Å; L166-Y225 HydrophobicContact CD2-CD1 4.1Å; L166-Y225 HydrophobicContact CD2-CE1 3.5Å; L166-Y225 HydrophobicContact CG-CD1 4.35Å; L166-Y225 HydrophobicContact CG-CE1 3.98Å; Y225-M321 HydrophobicContact CD2-CB 4.15Å; Y225-M321 HydrophobicContact CE2-CB 4.37Å; Y225-K322 VanDerWaalsContact CE2-CA 3.43Å; Y225-K322 HydrophobicContact CE2-CB 3.82Å; Y225-K322 VanDerWaalsContact OH-CB 3.29Å; Y225-K322 WeakPolarHBondContact OH-CB 3.41Å; Y225-K322 WeakPolarHBondContact OH-CD 3.46Å; Y225-K322 WeakPolarHBondContact OH-CG 3.44Å; Y225-V325 HydrophobicContact CD1-CB 4.44Å; Y225-V325 HydrophobicContact CD1-CG1 4.21Å; Y225-V325 HydrophobicContact CD1-CG2 4.15Å; Y225-V325 HydrophobicContact CD2-CG2 3.84Å; Y225-V325 HydrophobicContact CG-CB 4.35Å; Y225-V325 HydrophobicContact CG-CG2 3.63Å
226	A	93.3	Very high	96.1	Very high	8 Å²	8	35 Å²	35	7%	0.066	20%	0.198	C	C	.	.			trans	-117.4	41.4	167.2	0	0	0	0	0	110.2	F164 Y223 P224 M228 Y229 S230	F164-A226 HydrophobicContact CD1-CB 3.81Å; F164-A226 HydrophobicContact CE1-CB 3.58Å; F164-A226 HydrophobicContact CZ-CB 4.35Å; Y223-A226 HydrophobicContact CD1-CB 3.97Å; Y223-A226 HydrophobicContact CE1-CB 4.28Å; P224-A226 PolarHBondContact O-N 2.9Å; A226-M228 PolarHBondContact O-N 2.98Å; A226-Y229 PolarHBondContact O-N 2.75Å; A226-S230 PolarHBondContact O-N 2.89Å; A226-S230 PolarHBondContact O-OG 3.35Å
227	T	94.3	Very high	96.2	Very high	54 Å²	54	34.7 Å²	34.7	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-52.6	-51	-173.4	-56	0	0	0	0	112.1	S230 S231	T227-S230 PolarHBondContact O-OG 3.06Å; T227-S231 WeakPolarHBondContact O-CB 3.37Å; T227-S231 PolarHBondContact O-N 3.47Å; T227-S231 PolarHBondContact O-OG 3.27Å
228	M	95.5	Very high	96.2	Very high	28 Å²	28	38.5 Å²	38.5	14%	0.138	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-41.3	179.9	-67.6	-53.8	-58.7	0	0	112.3	L162 F167 I179 I182 I183 A226 T232	L162-M228 HydrophobicContact CD1-CB 4.1Å; L162-M228 HydrophobicContact CD1-CG 4.39Å; F167-M228 HydrophobicContact CD2-CG 4.21Å; F167-M228 HydrophobicContact CE2-CG 3.83Å; F167-M228 HydrophobicContact CE2-SD 3.83Å; F167-M228 HydrophobicContact CZ-SD 4.27Å; I179-M228 HydrophobicContact CG2-CE 3.99Å; I182-M228 HydrophobicContact CD1-CB 4.29Å; I182-M228 HydrophobicContact CG2-CB 3.99Å; I182-M228 HydrophobicContact CG2-CE 4.16Å; I183-M228 HydrophobicContact CD1-CE 3.94Å; I183-M228 HydrophobicContact CG1-CE 3.9Å; A226-M228 PolarHBondContact O-N 2.98Å; M228-T232 WeakPolarHBondContact O-CB 3.39Å; M228-T232 WeakPolarHBondContact O-CG2 3.37Å; M228-T232 PolarHBondContact O-N 2.79Å; M228-T232 PolarHBondContact O-OG1 2.89Å
229	Y	96.9	Very high	96.4	Very high	43 Å²	43	40.7 Å²	40.7	17%	0.169	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-48.8	179.6	179.1	-97.8	0	0	0	112.1	M160 I182 A226 S231 T232 K233	M160-Y229 WeakPolarHBondContact O-CD2 3.46Å; I182-Y229 HydrophobicContact CD1-CD2 4.44Å; A226-Y229 PolarHBondContact O-N 2.75Å; Y229-S231 PolarHBondContact O-N 3.17Å; Y229-T232 PolarHBondContact O-OG1 2.87Å; Y229-K233 HydrophobicContact CE1-CG 4.24Å; Y229-K233 HydrophobicContact CE2-CG 4.18Å; Y229-K233 WeakPolarHBondContact O-CG 3.27Å; Y229-K233 PolarHBondContact O-N 3.37Å; Y229-K233 VanDerWaalsContact O-N 3.11Å
230	S	97.5	Very high	96.4	Very high	12 Å²	12	39.8 Å²	39.8	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-41.3	178.8	58.1	0	0	0	0	111.8	S218 A226 T227 K233 A234	S218-S230 WeakPolarHBondContact O-CB 3.03Å; A226-S230 PolarHBondContact O-N 2.89Å; A226-S230 PolarHBondContact O-OG 3.35Å; T227-S230 PolarHBondContact O-OG 3.06Å; S230-K233 PolarHBondContact O-N 2.93Å; S230-A234 WeakPolarHBondContact O-CB 3.42Å; S230-A234 PolarHBondContact O-N 3.44Å
231	S	98.3	Very high	96.6	Very high	66 Å²	66	39.7 Å²	39.7	46%	0.462	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-44.9	178.8	-57.6	0	0	0	0	112.6	T227 Y229 K233 A234 A235	T227-S231 WeakPolarHBondContact O-CB 3.37Å; T227-S231 PolarHBondContact O-N 3.47Å; T227-S231 PolarHBondContact O-OG 3.27Å; Y229-S231 PolarHBondContact O-N 3.17Å; S231-K233 PolarHBondContact O-N 3.13Å; S231-A234 WeakPolarHBondContact O-CB 3.3Å; S231-A234 PolarHBondContact O-N 2.9Å; S231-A234 VanDerWaalsContact O-N 3.15Å; S231-A235 PolarHBondContact O-N 2.92Å
232	T	98.8	Very high	96.9	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-40.5	177.3	53.6	0	0	0	0	111.8	I182 I183 N186 I187 M228 Y229 A234 A235 I236	I182-T232 HydrophobicContact CG1-CG2 4.44Å; I183-T232 HydrophobicContact CG1-CG2 4.33Å; N186-T232 HydrophobicContact CB-CG2 4.23Å; N186-T232 PolarHBondContact ND2-OG1 3.33Å; I187-T232 HydrophobicContact CD1-CG2 3.83Å; I187-T232 HydrophobicContact CG1-CG2 3.92Å; M228-T232 WeakPolarHBondContact O-CB 3.39Å; M228-T232 WeakPolarHBondContact O-CG2 3.37Å; M228-T232 PolarHBondContact O-N 2.79Å; M228-T232 PolarHBondContact O-OG1 2.89Å; Y229-T232 PolarHBondContact O-OG1 2.87Å; T232-A234 VanDerWaalsContact C-N 3.32Å; T232-A234 PolarHBondContact O-N 3.48Å; T232-A235 WeakPolarHBondContact O-CB 3.36Å; T232-A235 PolarHBondContact O-N 3.28Å; T232-I236 PolarHBondContact O-N 2.9Å
233	K	98.7	Very high	97.1	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-28.3	174.3	-65.2	-56.2	-166.9	175	0	112.7	I214 A219 Y229 S230 S231 I236 I237	I214-K233 PolarHBondContact O-NZ 3.49Å; A219-K233 VanDerWaalsContact CB-C 3.49Å; A219-K233 HydrophobicContact CB-CB 3.91Å; Y229-K233 HydrophobicContact CE1-CG 4.24Å; Y229-K233 HydrophobicContact CE2-CG 4.18Å; Y229-K233 WeakPolarHBondContact O-CG 3.27Å; Y229-K233 PolarHBondContact O-N 3.37Å; Y229-K233 VanDerWaalsContact O-N 3.11Å; S230-K233 PolarHBondContact O-N 2.93Å; S231-K233 PolarHBondContact O-N 3.13Å; K233-I236 PolarHBondContact O-N 3.38Å; K233-I237 PolarHBondContact O-N 3.46Å
234	A	98.8	Very high	97.3	Very high	36 Å²	36	34 Å²	34	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-69.2	-38.8	172.1	0	0	0	0	0	112.4	A219 S230 S231 T232 I236 I237 Q238	A219-A234 HydrophobicContact CB-CB 3.86Å; A219-A234 VanDerWaalsContact CB-N 3.31Å; S230-A234 WeakPolarHBondContact O-CB 3.42Å; S230-A234 PolarHBondContact O-N 3.44Å; S231-A234 WeakPolarHBondContact O-CB 3.3Å; S231-A234 PolarHBondContact O-N 2.9Å; S231-A234 VanDerWaalsContact O-N 3.15Å; T232-A234 VanDerWaalsContact C-N 3.32Å; T232-A234 PolarHBondContact O-N 3.48Å; A234-I236 VanDerWaalsContact C-N 3.26Å; A234-I236 PolarHBondContact O-N 3.03Å; A234-I237 PolarHBondContact O-N 3.47Å; A234-I237 VanDerWaalsContact O-N 3.15Å; A234-Q238 PolarHBondContact O-N 3.08Å
235	A	98.9	Very high	97.5	Very high	38 Å²	38	36.4 Å²	36.4	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-41.6	172	0	0	0	0	0	111.4	I187 S231 T232 I237 Q238 F239	I187-A235 HydrophobicContact CD1-CB 3.77Å; I187-A235 HydrophobicContact CG1-CB 4.16Å; S231-A235 PolarHBondContact O-N 2.92Å; T232-A235 WeakPolarHBondContact O-CB 3.36Å; T232-A235 PolarHBondContact O-N 3.28Å; A235-I237 PolarHBondContact O-N 2.91Å; A235-Q238 PolarHBondContact O-N 3.04Å; A235-F239 VanDerWaalsContact O-CB 3.31Å; A235-F239 WeakPolarHBondContact O-CB 3.43Å; A235-F239 PolarHBondContact O-N 3.36Å
236	I	98.8	Very high	97.8	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-39	175.8	-64.4	-51.7	0	0	0	112.8	N186 A190 N213 A215 T232 K233 A234 S240	N186-I236 WeakPolarHBondContact O-CD1 3.19Å; N186-I236 VanDerWaalsContact O-CG1 3.31Å; N186-I236 WeakPolarHBondContact O-CG1 3.19Å; A190-I236 HydrophobicContact CB-CD1 3.6Å; N213-I236 HydrophobicContact CB-CG2 3.78Å; A215-I236 HydrophobicContact CB-CG2 4.37Å; T232-I236 PolarHBondContact O-N 2.9Å; K233-I236 PolarHBondContact O-N 3.38Å; A234-I236 VanDerWaalsContact C-N 3.26Å; A234-I236 PolarHBondContact O-N 3.03Å; I236-S240 WeakPolarHBondContact O-CB 3.34Å; I236-S240 PolarHBondContact O-N 2.86Å; I236-S240 PolarHBondContact O-OG 3.46Å
237	I	98.8	Very high	97.6	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-47.6	174.2	-67.4	178.6	0	0	0	110.1	A215 A219 L220 K233 A234 A235 S240 K241 T256	A215-I237 HydrophobicContact CB-CD1 4.12Å; A215-I237 HydrophobicContact CB-CG1 3.58Å; A219-I237 HydrophobicContact CB-CD1 3.59Å; A219-I237 HydrophobicContact CB-CG1 4.47Å; L220-I237 HydrophobicContact CD2-CD1 3.61Å; L220-I237 HydrophobicContact CG-CD1 4.1Å; K233-I237 PolarHBondContact O-N 3.46Å; A234-I237 PolarHBondContact O-N 3.47Å; A234-I237 VanDerWaalsContact O-N 3.15Å; A235-I237 PolarHBondContact O-N 2.91Å; I237-S240 PolarHBondContact O-N 2.91Å; I237-K241 HydrophobicContact CG2-CD 4.21Å; I237-K241 WeakPolarHBondContact O-CG 3.48Å; I237-K241 PolarHBondContact O-N 2.98Å; I237-T256 HydrophobicContact CG1-CG2 4.06Å
238	Q	98.8	Very high	97.5	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-45	-178.7	-172.5	60.1	19.3	0	0	112.2	A234 A235 S240 K241 C242	A234-Q238 PolarHBondContact O-N 3.08Å; A235-Q238 PolarHBondContact O-N 3.04Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 2.71Å; Q238-K241 PolarHBondContact O-N 2.89Å; Q238-K241 VanDerWaalsContact O-N 3.17Å; Q238-C242 PolarHBondContact NE2-SG 3.15Å; Q238-C242 PolarHBondContact O-N 3.49Å; Q238-C242 PolarHBondContact O-SG 2.66Å; Q238-C242 VanDerWaalsContact O-SG 3.38Å
239	F	98.9	Very high	97.4	Very high	53 Å²	53	59.3 Å²	59.3	23%	0.232	31%	0.312	C	S	.	.	H	α-helix	trans	-52.6	-48.4	173.9	171.7	-108	0	0	0	111.2	V191 T194 A235 K241 C242 L243	V191-F239 HydrophobicContact CB-CE2 4.49Å; V191-F239 HydrophobicContact CB-CZ 4.45Å; V191-F239 HydrophobicContact CG1-CE2 4.19Å; V191-F239 HydrophobicContact CG1-CZ 4.45Å; V191-F239 HydrophobicContact CG2-CD1 4.34Å; V191-F239 HydrophobicContact CG2-CD2 4Å; V191-F239 HydrophobicContact CG2-CE1 4.34Å; V191-F239 HydrophobicContact CG2-CE2 4.01Å; V191-F239 HydrophobicContact CG2-CG 4.17Å; V191-F239 HydrophobicContact CG2-CZ 4.18Å; T194-F239 HydrophobicContact CG2-CE1 4.18Å; T194-F239 HydrophobicContact CG2-CZ 3.82Å; A235-F239 VanDerWaalsContact O-CB 3.31Å; A235-F239 WeakPolarHBondContact O-CB 3.43Å; A235-F239 PolarHBondContact O-N 3.36Å; F239-K241 PolarHBondContact O-N 3.38Å; F239-C242 PolarHBondContact O-N 2.68Å; F239-L243 HydrophobicContact CE1-CD2 4.24Å; F239-L243 HydrophobicContact CZ-CD2 4.17Å; F239-L243 WeakPolarHBondContact O-CB 3.44Å; F239-L243 PolarHBondContact O-N 2.91Å
240	S	98.8	Very high	97.2	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-38.2	-179.9	-53.5	0	0	0	0	112.9	N213 I236 I237 Q238 A244 I254 T256	N213-S240 PolarHBondContact ND2-OG 3.32Å; I236-S240 WeakPolarHBondContact O-CB 3.34Å; I236-S240 PolarHBondContact O-N 2.86Å; I236-S240 PolarHBondContact O-OG 3.46Å; I237-S240 PolarHBondContact O-N 2.91Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 2.71Å; S240-A244 VanDerWaalsContact O-CB 3.22Å; S240-A244 WeakPolarHBondContact O-CB 3.49Å; S240-A244 PolarHBondContact O-N 3.47Å; S240-I254 WeakPolarHBondContact O-CG2 3.31Å; S240-T256 WeakPolarHBondContact CB-OG1 3.35Å; S240-T256 PolarHBondContact OG-OG1 3.33Å; S240-T256 VanDerWaalsContact OG-OG1 3.08Å
241	K	98.6	Very high	97	Very high	78 Å²	78	62.5 Å²	62.5	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-47.8	175.8	-75.9	173	-178.5	175.8	0	111.5	I237 Q238 F239 A244 A245 Q295	I237-K241 HydrophobicContact CG2-CD 4.21Å; I237-K241 WeakPolarHBondContact O-CG 3.48Å; I237-K241 PolarHBondContact O-N 2.98Å; Q238-K241 PolarHBondContact O-N 2.89Å; Q238-K241 VanDerWaalsContact O-N 3.17Å; F239-K241 PolarHBondContact O-N 3.38Å; K241-A244 PolarHBondContact O-N 3.15Å; K241-A245 PolarHBondContact O-N 3.33Å; K241-Q295 VanDerWaalsContact CE-CD 3.4Å
242	C	98.7	Very high	97	Very high	66 Å²	66	60.2 Å²	60.2	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-49.4	178	-66.4	0	0	0	0	110.5	Q238 F239 A244 A245 E246	Q238-C242 PolarHBondContact NE2-SG 3.15Å; Q238-C242 PolarHBondContact O-N 3.49Å; Q238-C242 PolarHBondContact O-SG 2.66Å; Q238-C242 VanDerWaalsContact O-SG 3.38Å; F239-C242 PolarHBondContact O-N 2.68Å; C242-A244 VanDerWaalsContact C-N 3.34Å; C242-A244 PolarHBondContact O-N 2.94Å; C242-A245 WeakPolarHBondContact O-CB 3.46Å; C242-A245 PolarHBondContact O-N 3.26Å; C242-A245 VanDerWaalsContact O-N 3.08Å; C242-E246 PolarHBondContact O-N 3.5Å
243	L	98.3	Very high	96.9	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-40.2	-179.4	-170.6	70.2	0	0	0	112.8	T194 L198 F239 A245 E246 Y248 I254	T194-L243 HydrophobicContact CG2-CD2 3.65Å; L198-L243 HydrophobicContact CD2-CD1 3.81Å; F239-L243 HydrophobicContact CE1-CD2 4.24Å; F239-L243 HydrophobicContact CZ-CD2 4.17Å; F239-L243 WeakPolarHBondContact O-CB 3.44Å; F239-L243 PolarHBondContact O-N 2.91Å; L243-A245 PolarHBondContact O-N 3.26Å; L243-E246 WeakPolarHBondContact O-CB 3.28Å; L243-E246 PolarHBondContact O-N 3.46Å; L243-Y248 WeakPolarHBondContact CD1-OH 3.15Å; L243-I254 HydrophobicContact CB-CG2 4.41Å; L243-I254 HydrophobicContact CD2-CD1 3.76Å; L243-I254 HydrophobicContact CD2-CG1 4.18Å; L243-I254 HydrophobicContact CD2-CG2 4.21Å; L243-I254 HydrophobicContact CG-CD1 4.21Å; L243-I254 HydrophobicContact CG-CG1 4.18Å
244	A	97.6	Very high	96.9	Very high	32 Å²	32	60.9 Å²	60.9	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-24.4	177.2	0	0	0	0	0	113.6	S240 K241 C242 E246 I254 Q294	S240-A244 VanDerWaalsContact O-CB 3.22Å; S240-A244 WeakPolarHBondContact O-CB 3.49Å; S240-A244 PolarHBondContact O-N 3.47Å; K241-A244 PolarHBondContact O-N 3.15Å; C242-A244 VanDerWaalsContact C-N 3.34Å; C242-A244 PolarHBondContact O-N 2.94Å; A244-E246 VanDerWaalsContact C-N 3.34Å; A244-I254 HydrophobicContact CB-CB 3.82Å; A244-I254 HydrophobicContact CB-CG1 4.45Å; A244-I254 HydrophobicContact CB-CG2 4.1Å; A244-Q294 VanDerWaalsContact CB-CD 3.46Å; A244-Q294 HydrophobicContact CB-CG 4.08Å; A244-Q294 VanDerWaalsContact CB-NE2 3.29Å
245	A	97.5	Very high	96.9	Very high	77 Å²	77	59.2 Å²	59.2	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-83.7	-12.4	178.6	0	0	0	0	0	112.8	K241 C242 L243	K241-A245 PolarHBondContact O-N 3.33Å; C242-A245 WeakPolarHBondContact O-CB 3.46Å; C242-A245 PolarHBondContact O-N 3.26Å; C242-A245 VanDerWaalsContact O-N 3.08Å; L243-A245 PolarHBondContact O-N 3.26Å
246	E	97.1	Very high	96.9	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	29%	0.286	S	S	.	.	S	Bend	trans	-69.7	134.5	175.7	-67.4	-177.4	-159.2	0	0	111.1	C242 L243 A244 Y248	C242-E246 PolarHBondContact O-N 3.5Å; L243-E246 WeakPolarHBondContact O-CB 3.28Å; L243-E246 PolarHBondContact O-N 3.46Å; A244-E246 VanDerWaalsContact C-N 3.34Å; E246-Y248 HydrophobicContact CB-CE1 4.16Å; E246-Y248 HydrophobicContact CB-CE2 4Å; E246-Y248 PolarHBondContact O-N 2.8Å; E246-Y248 PolarHBondContact OE2-OH 3.31Å
247	K	90.4	Very high	96.9	Very high	209 Å²	209	57.2 Å²	57.2	91%	0.909	29%	0.285	S	S	*	.			trans	-94.3	99.9	-178	-68.2	-175.3	-179.7	178.7	0	110.4
248	Y	92.9	Very high	96.9	Very high	64 Å²	64	57.7 Å²	57.7	25%	0.251	29%	0.287	S	S	.	.			trans	-91.1	155.1	171.7	-54.4	-62.6	0	0	0	111.9	L202 L243 E246 K250	L202-Y248 HydrophobicContact CD1-CD1 3.93Å; L202-Y248 HydrophobicContact CD1-CE1 4.13Å; L202-Y248 HydrophobicContact CD1-CG 4.42Å; L202-Y248 VanDerWaalsContact CD2-CB 3.48Å; L202-Y248 HydrophobicContact CD2-CD1 3.83Å; L202-Y248 HydrophobicContact CD2-CD2 4.07Å; L202-Y248 HydrophobicContact CD2-CG 3.51Å; L243-Y248 WeakPolarHBondContact CD1-OH 3.15Å; E246-Y248 HydrophobicContact CB-CE1 4.16Å; E246-Y248 HydrophobicContact CB-CE2 4Å; E246-Y248 PolarHBondContact O-N 2.8Å; E246-Y248 PolarHBondContact OE2-OH 3.31Å; Y248-K250 WeakPolarHBondContact CB-O 3.45Å; Y248-K250 PolarHBondContact O-N 3.49Å
249	K	92	Very high	96.9	Very high	228 Å²	228	53 Å²	53	99%	0.991	27%	0.266	S	S	*	.	S	Bend	trans	-62.9	-30.3	172.4	-68.5	-175.1	179.4	179.6	0	112.3
250	K	93.5	Very high	96.8	Very high	38 Å²	38	51.6 Å²	51.6	17%	0.165	26%	0.261	C	S	.	.	S	Bend	trans	-100.3	139.2	175	-176.9	-175.7	-67	-171.5	0	110	M201 L202 Q204 E206 P209 Y248 I252	M201-K250 VanDerWaalsContact O-CD 3.25Å; M201-K250 WeakPolarHBondContact O-CD 3.47Å; M201-K250 WeakPolarHBondContact O-CE 3.49Å; M201-K250 PolarHBondContact O-NZ 3.28Å; L202-K250 HydrophobicContact CD2-CB 4.43Å; L202-K250 VanDerWaalsContact O-CE 3.27Å; L202-K250 WeakPolarHBondContact O-CE 3.32Å; Q204-K250 VanDerWaalsContact C-NZ 3.29Å; Q204-K250 WeakPolarHBondContact O-CE 3.4Å; Q204-K250 PolarHBondContact O-NZ 3.2Å; E206-K250 PolarHBondContact O-NZ 3.27Å; P209-K250 HydrophobicContact CG-CD 4.22Å; Y248-K250 WeakPolarHBondContact CB-O 3.45Å; Y248-K250 PolarHBondContact O-N 3.49Å; K250-I252 PolarHBondContact O-N 3.49Å
251	N	93.3	Very high	96.7	Very high	84 Å²	84	53.5 Å²	53.5	45%	0.449	27%	0.274	S	S	.	.			trans	-68.7	120.5	169.3	-174.4	46.3	0	0	0	111.3	N208	N208-N251 WeakPolarHBondContact CA-O 3.22Å; N208-N251 PolarHBondContact OD1-ND2 3.35Å
252	I	97.2	Very high	96.7	Very high	19 Å²	19	50 Å²	50	10%	0.097	26%	0.259	C	S	.	.			trans	-123.2	134.6	174.1	-61.9	-168.7	0	0	0	108.5	L198 M201 L202 P209 K250 I254	L198-I252 HydrophobicContact CD1-CD1 3.47Å; L198-I252 VanDerWaalsContact CD1-CD1 3.47Å; L198-I252 HydrophobicContact CD1-CG2 4.25Å; M201-I252 HydrophobicContact CB-CD1 3.92Å; L202-I252 HydrophobicContact CB-CD1 4.49Å; L202-I252 HydrophobicContact CD2-CD1 3.29Å; L202-I252 HydrophobicContact CD2-CG1 4.1Å; L202-I252 HydrophobicContact CG-CD1 3.56Å; P209-I252 HydrophobicContact CG-CD1 4.47Å; P209-I252 HydrophobicContact CG-CG1 4.17Å; P209-I252 WeakPolarHBondContact O-CA 3.31Å; K250-I252 PolarHBondContact O-N 3.49Å; I252-I254 HydrophobicContact CG2-CD1 3.72Å; I252-I254 HydrophobicContact CG2-CG1 4.43Å
253	I	97.9	Very high	96.7	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.8	177.7	-63.7	163.1	0	0	0	108.1	K65 N208 P209 G210 I211 Q255 Y290	K65-I253 HydrophobicContact CB-CD1 4.17Å; K65-I253 HydrophobicContact CD-CD1 3.5Å; K65-I253 HydrophobicContact CD-CG1 4.47Å; K65-I253 HydrophobicContact CG-CD1 4.45Å; N208-I253 HydrophobicContact CB-CD1 4.33Å; P209-I253 PolarHBondContact O-N 3.17Å; G210-I253 CarbonylContact C-O 3.51Å; G210-I253 WeakPolarHBondContact CA-O 3.48Å; I211-I253 PolarHBondContact N-O 3.49Å; I253-Q255 HydrophobicContact CG2-CB 4.37Å; I253-Y290 HydrophobicContact CB-CE2 4.14Å; I253-Y290 HydrophobicContact CD1-CD1 4.31Å; I253-Y290 HydrophobicContact CD1-CE1 3.53Å; I253-Y290 HydrophobicContact CD1-CE2 4.37Å; I253-Y290 HydrophobicContact CG2-CD2 4.27Å; I253-Y290 HydrophobicContact CG2-CE2 3.76Å
254	I	98.6	Very high	96.6	Very high	11 Å²	11	48 Å²	48	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.5	169.5	-53.4	-57.7	0	0	0	107.5	I211 S240 L243 A244 I252 Q294	I211-I254 HydrophobicContact CB-CD1 3.85Å; I211-I254 HydrophobicContact CD1-CD1 3.97Å; I211-I254 HydrophobicContact CG1-CD1 3.98Å; S240-I254 WeakPolarHBondContact O-CG2 3.31Å; L243-I254 HydrophobicContact CB-CG2 4.41Å; L243-I254 HydrophobicContact CD2-CD1 3.76Å; L243-I254 HydrophobicContact CD2-CG1 4.18Å; L243-I254 HydrophobicContact CD2-CG2 4.21Å; L243-I254 HydrophobicContact CG-CD1 4.21Å; L243-I254 HydrophobicContact CG-CG1 4.18Å; A244-I254 HydrophobicContact CB-CB 3.82Å; A244-I254 HydrophobicContact CB-CG1 4.45Å; A244-I254 HydrophobicContact CB-CG2 4.1Å; I252-I254 HydrophobicContact CG2-CD1 3.72Å; I252-I254 HydrophobicContact CG2-CG1 4.43Å; I254-Q294 WeakPolarHBondContact O-CG 3.36Å
255	Q	98.6	Very high	96.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.4	-174.9	-171.1	171.1	41.8	0	0	111.4	I211 I212 N213 I253 M257 M289 E293 Q294	I211-Q255 PolarHBondContact O-N 2.96Å; I212-Q255 CarbonylContact C-O 3.54Å; I212-Q255 WeakPolarHBondContact CA-O 3.49Å; N213-Q255 PolarHBondContact N-O 2.93Å; I253-Q255 HydrophobicContact CG2-CB 4.37Å; Q255-M257 HydrophobicContact CG-CE 3.81Å; Q255-M257 HydrophobicContact CG-SD 4.4Å; Q255-M289 PolarHBondContact NE2-O 3.43Å; Q255-E293 PolarHBondContact NE2-O 3.39Å; Q255-Q294 CarbonylContact C-O 3.51Å; Q255-Q294 WeakPolarHBondContact CA-O 3.36Å
256	T	98.8	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126	176.4	-43.8	0	0	0	0	110.8	N213 A215 I237 S240 Q294 Q295 T296	N213-T256 WeakPolarHBondContact O-CA 3.31Å; A215-T256 HydrophobicContact CB-CG2 3.63Å; I237-T256 HydrophobicContact CG1-CG2 4.06Å; S240-T256 WeakPolarHBondContact CB-OG1 3.35Å; S240-T256 PolarHBondContact OG-OG1 3.33Å; S240-T256 VanDerWaalsContact OG-OG1 3.08Å; T256-Q294 PolarHBondContact N-O 3.44Å; T256-Q295 WeakPolarHBondContact O-CA 3.25Å; T256-T296 PolarHBondContact O-N 3.21Å; T256-T296 VanDerWaalsContact O-N 3.16Å
257	M	98.8	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.7	173.2	-54.6	-62.6	-178	0	0	109.6	I212 N213 I214 A215 Q255 P259 Y282 S286 T296	I212-M257 HydrophobicContact CG2-CE 4.29Å; I212-M257 HydrophobicContact CG2-CG 3.93Å; N213-M257 PolarHBondContact O-N 2.99Å; I214-M257 HydrophobicContact CD1-CB 3.86Å; I214-M257 HydrophobicContact CD1-CG 3.97Å; A215-M257 CarbonylContact C-O 3.59Å; A215-M257 WeakPolarHBondContact CA-O 3.18Å; A215-M257 WeakPolarHBondContact CB-O 3.4Å; A215-M257 PolarHBondContact N-O 2.92Å; Q255-M257 HydrophobicContact CG-CE 3.81Å; Q255-M257 HydrophobicContact CG-SD 4.4Å; M257-P259 VanDerWaalsContact C-CD 3.42Å; M257-P259 VanDerWaalsContact O-CD 3.28Å; M257-P259 WeakPolarHBondContact O-CD 3.04Å; M257-Y282 WeakPolarHBondContact CB-OH 3.46Å; M257-S286 VanDerWaalsContact CE-O 3.23Å; M257-S286 WeakPolarHBondContact CE-O 3.47Å; M257-S286 WeakPolarHBondContact CE-OG 3.14Å; M257-S286 WeakPolarHBondContact CG-OG 3.34Å; M257-S286 PolarHBondContact SD-OG 3.5Å; M257-T296 CarbonylContact C-O 3.54Å; M257-T296 VanDerWaalsContact CA-O 3.27Å; M257-T296 WeakPolarHBondContact CA-O 3.41Å; M257-T296 HydrophobicContact SD-CG2 3.62Å
258	H	98.1	Very high	95.8	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.079	23%	0.234	C	C	.	.			trans	-119.1	73.3	176	48.5	77.3	0	0	0	110.6	L220 T296 T297	L220-H258 HydrophobicContact CD1-CB 4.42Å; H258-T296 PolarHBondContact CD2-O 2.85Å; H258-T296 PolarHBondContact N-O 3.22Å; H258-T296 WeakPolarHBondContact NE2-CA 3.29Å; H258-T296 PolarHBondContact NE2-N 3.49Å; H258-T297 PolarHBondContact CE1-N 3.41Å; H258-T297 WeakPolarHBondContact ND1-CG2 3.47Å; H258-T297 PolarHBondContact ND1-N 3.07Å
259	P	98.6	Very high	95.7	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.045	25%	0.251	C	S	.	.			trans	-61.6	153.3	179.9	23	-30.4	0	0	0	111.9	I85 I214 Y217 M257 V262 Y282	I85-P259 HydrophobicContact CD1-CG 4.48Å; I214-P259 HydrophobicContact CG2-CG 4.19Å; Y217-P259 WeakPolarHBondContact CB-O 3.29Å; Y217-P259 PolarHBondContact N-O 3.34Å; M257-P259 VanDerWaalsContact C-CD 3.42Å; M257-P259 VanDerWaalsContact O-CD 3.28Å; M257-P259 WeakPolarHBondContact O-CD 3.04Å; P259-V262 HydrophobicContact CB-CG2 4.01Å; P259-Y282 HydrophobicContact CB-CE1 4.4Å; P259-Y282 HydrophobicContact CB-CE2 3.66Å; P259-Y282 WeakPolarHBondContact CB-OH 3.42Å; P259-Y282 WeakPolarHBondContact CD-OH 3.26Å; P259-Y282 WeakPolarHBondContact CG-OH 3.32Å
260	L	97.4	Very high	95.8	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	22%	0.221	C	C	.	.			trans	-84.4	-146.6	158.4	-77.4	78.7	0	0	0	108.1	Y217 V262 T297 H302 K305 A306 F309	Y217-L260 HydrophobicContact CD1-CD1 4.12Å; Y217-L260 HydrophobicContact CD1-CD2 4.24Å; Y217-L260 HydrophobicContact CD1-CG 3.9Å; Y217-L260 HydrophobicContact CD2-CD1 3.84Å; Y217-L260 HydrophobicContact CG-CD1 3.56Å; Y217-L260 HydrophobicContact CG-CD2 4.49Å; Y217-L260 HydrophobicContact CG-CG 3.78Å; L260-V262 PolarHBondContact O-N 2.87Å; L260-T297 HydrophobicContact CD1-CG2 4.02Å; L260-H302 HydrophobicContact CD1-CB 3.82Å; L260-H302 PolarHBondContact N-CE1 2.69Å; L260-H302 PolarHBondContact N-ND1 3.04Å; L260-K305 HydrophobicContact CD2-CB 4.04Å; L260-K305 HydrophobicContact CD2-CD 3.65Å; L260-K305 HydrophobicContact CD2-CG 3.66Å; L260-A306 HydrophobicContact CD1-CB 4.26Å; L260-F309 HydrophobicContact CD2-CD2 4.28Å; L260-F309 HydrophobicContact CD2-CE2 4.09Å
261	S	96.9	Very high	95.9	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	25%	0.25	S	S	.	.			trans	-68.1	123.8	179.5	-59	0	0	0	0	111.3	I276 H302	S261-I276 WeakPolarHBondContact O-CA 3.47Å; S261-H302 PolarHBondContact O-NE2 3.26Å
262	V	98.4	Very high	96.1	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.024	25%	0.25	C	S	.	.			trans	-117.8	132.5	169.6	-178.3	0	0	0	0	107.4	I85 P259 L260 T264 T267 P277 A279 Y282	I85-V262 HydrophobicContact CD1-CB 4.07Å; I85-V262 HydrophobicContact CD1-CG1 4.27Å; I85-V262 HydrophobicContact CD1-CG2 3.98Å; I85-V262 HydrophobicContact CG1-CB 4.37Å; I85-V262 HydrophobicContact CG1-CG1 4.03Å; P259-V262 HydrophobicContact CB-CG2 4.01Å; L260-V262 PolarHBondContact O-N 2.87Å; V262-T264 HydrophobicContact CB-CG2 4.38Å; V262-T264 HydrophobicContact CG1-CG2 4.04Å; V262-T264 PolarHBondContact O-N 2.94Å; V262-T264 PolarHBondContact O-OG1 3.2Å; V262-T267 VanDerWaalsContact O-CG2 3.31Å; V262-T267 WeakPolarHBondContact O-CG2 3.49Å; V262-T267 PolarHBondContact O-OG1 2.99Å; V262-P277 WeakPolarHBondContact CG1-O 3.4Å; V262-P277 HydrophobicContact CG2-CG 4.29Å; V262-A279 HydrophobicContact CG1-CB 4.39Å; V262-Y282 HydrophobicContact CG1-CG 4.24Å; V262-Y282 HydrophobicContact CG2-CD1 4.2Å; V262-Y282 HydrophobicContact CG2-CD2 3.81Å; V262-Y282 HydrophobicContact CG2-CE2 4.31Å; V262-Y282 HydrophobicContact CG2-CG 3.75Å
263	S	97.7	Very high	96.1	Very high	18 Å²	18	50.8 Å²	50.8	13%	0.126	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-64.2	102.8	-179.1	-170.6	0	0	0	0	110.3	M270 P277	S263-M270 VanDerWaalsContact CB-O 3.23Å; S263-M270 WeakPolarHBondContact CB-O 3.23Å; S263-M270 PolarHBondContact OG-O 2.68Å; S263-P277 PolarHBondContact N-O 3.37Å
264	T	97.1	Very high	96	Very high	15 Å²	15	55.6 Å²	55.6	9%	0.092	29%	0.292	C	S	.	.	S	Bend	trans	-149.6	167	-176.1	58.5	0	0	0	0	110.1	I85 V262 L266 T267 N268 L269 A279	I85-T264 HydrophobicContact CG1-CG2 4.18Å; V262-T264 HydrophobicContact CB-CG2 4.38Å; V262-T264 HydrophobicContact CG1-CG2 4.04Å; V262-T264 PolarHBondContact O-N 2.94Å; V262-T264 PolarHBondContact O-OG1 3.2Å; T264-L266 PolarHBondContact O-N 3.47Å; T264-T267 PolarHBondContact N-OG1 2.84Å; T264-T267 VanDerWaalsContact N-OG1 3.07Å; T264-T267 CarbonylContact O-C 3.29Å; T264-T267 PolarHBondContact O-N 2.87Å; T264-T267 PolarHBondContact O-OG1 3.16Å; T264-T267 PolarHBondContact OG1-OG1 3.04Å; T264-N268 PolarHBondContact O-N 2.93Å; T264-L269 PolarHBondContact O-N 3.21Å; T264-A279 HydrophobicContact CG2-CB 4.16Å
265	K	94.1	Very high	96	Very high	123 Å²	123	58.6 Å²	58.6	54%	0.535	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-53.3	-39.5	172.4	-67.2	-175.6	179.9	-179.7	0	112.3	T267 N268	K265-T267 PolarHBondContact O-N 2.94Å; K265-T267 VanDerWaalsContact O-N 3.17Å; K265-N268 PolarHBondContact O-N 3.38Å
266	L	91.4	Very high	95.9	Very high	98 Å²	98	59.5 Å²	59.5	51%	0.513	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-59.8	-28.7	177.8	-174.6	67.1	0	0	0	113.3	T264	T264-L266 PolarHBondContact O-N 3.47Å
267	T	89.5	Confident	95.9	Very high	35 Å²	35	59.7 Å²	59.7	22%	0.215	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-98	14.1	177.1	61	0	0	0	0	113.1	V262 T264 K265 L269 M270	V262-T267 VanDerWaalsContact O-CG2 3.31Å; V262-T267 WeakPolarHBondContact O-CG2 3.49Å; V262-T267 PolarHBondContact O-OG1 2.99Å; T264-T267 PolarHBondContact N-OG1 2.84Å; T264-T267 VanDerWaalsContact N-OG1 3.07Å; T264-T267 CarbonylContact O-C 3.29Å; T264-T267 PolarHBondContact O-N 2.87Å; T264-T267 PolarHBondContact O-OG1 3.16Å; T264-T267 PolarHBondContact OG1-OG1 3.04Å; K265-T267 PolarHBondContact O-N 2.94Å; K265-T267 VanDerWaalsContact O-N 3.17Å; T267-L269 PolarHBondContact O-N 3.14Å; T267-M270 WeakPolarHBondContact O-CG 3.44Å; T267-M270 PolarHBondContact O-N 3.32Å
268	N	90.7	Very high	95.9	Very high	148 Å²	148	62.6 Å²	62.6	79%	0.791	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	39.3	-172.2	-56.6	-24.9	0	0	0	112.4	T264 K265 M270	T264-N268 PolarHBondContact O-N 2.93Å; K265-N268 PolarHBondContact O-N 3.38Å; N268-M270 VanDerWaalsContact C-N 3.33Å; N268-M270 PolarHBondContact O-N 3.47Å
269	L	91.2	Very high	95.9	Very high	117 Å²	117	62.4 Å²	62.4	61%	0.613	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	45.8	177.1	-60.5	169.7	0	0	0	113.3	T264 T267 K271	T264-L269 PolarHBondContact O-N 3.21Å; T267-L269 PolarHBondContact O-N 3.14Å; L269-K271 PolarHBondContact O-N 2.93Å
270	M	93.3	Very high	95.9	Very high	73 Å²	73	67.1 Å²	67.1	36%	0.36	35%	0.35	S	S	.	.			trans	-45.4	134.4	175.1	-64.2	-174.5	77.3	0	0	111.1	S263 T267 N268 P272 I276	S263-M270 VanDerWaalsContact CB-O 3.23Å; S263-M270 WeakPolarHBondContact CB-O 3.23Å; S263-M270 PolarHBondContact OG-O 2.68Å; T267-M270 WeakPolarHBondContact O-CG 3.44Å; T267-M270 PolarHBondContact O-N 3.32Å; N268-M270 VanDerWaalsContact C-N 3.33Å; N268-M270 PolarHBondContact O-N 3.47Å; M270-P272 WeakPolarHBondContact O-CD 3.23Å; M270-I276 HydrophobicContact CB-CD1 4.29Å; M270-I276 HydrophobicContact CB-CG2 4.09Å; M270-I276 HydrophobicContact CE-CD1 3.66Å; M270-I276 HydrophobicContact SD-CD1 4.26Å
271	K	96.3	Very high	96	Very high	178 Å²	178	67.8 Å²	67.8	77%	0.774	36%	0.359	S	S	*	.			trans	-51.9	124.7	-179.9	-175	176.1	-179.9	177.1	0	110.4	L269 T273	L269-K271 PolarHBondContact O-N 2.93Å; K271-T273 PolarHBondContact O-N 3.5Å
272	P	97.5	Very high	96.1	Very high	69 Å²	69	65.9 Å²	65.9	45%	0.448	35%	0.346	S	S	.	.			trans	-58.8	137.1	178.4	-26.5	34.9	0	0	0	112.4	M270 I276 T278	M270-P272 WeakPolarHBondContact O-CD 3.23Å; P272-I276 CarbonylContact C-O 3.56Å; P272-I276 VanDerWaalsContact CA-O 3.23Å; P272-I276 WeakPolarHBondContact CA-O 3.33Å; P272-T278 HydrophobicContact CB-CG2 4.09Å; P272-T278 HydrophobicContact CG-CG2 3.89Å
273	T	97.8	Very high	96.1	Very high	73 Å²	73	65.7 Å²	65.7	45%	0.448	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-143.8	176.7	174.1	65.5	0	0	0	0	108.9	K271 F275 I276	K271-T273 PolarHBondContact O-N 3.5Å; T273-F275 PolarHBondContact O-N 3.06Å; T273-F275 VanDerWaalsContact O-N 3.14Å; T273-F275 PolarHBondContact OG1-N 3.2Å; T273-I276 PolarHBondContact N-O 3.2Å; T273-I276 CarbonylContact O-C 3.49Å; T273-I276 PolarHBondContact O-N 2.98Å; T273-I276 PolarHBondContact OG1-N 2.86Å
274	L	96	Very high	96.2	Very high	118 Å²	118	69.3 Å²	69.3	62%	0.618	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.8	172.3	-179.4	62.8	0	0	0	112.6	Y299 A301	L274-Y299 WeakPolarHBondContact O-CE1 3.36Å; L274-A301 HydrophobicContact CD1-CB 4.29Å; L274-A301 HydrophobicContact CG-CB 4.08Å; L274-A301 WeakPolarHBondContact O-CB 3.4Å
275	F	97.2	Very high	96.3	Very high	74 Å²	74	69.5 Å²	69.5	33%	0.325	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	2.3	-179.3	-64.8	-77.9	0	0	0	114	T273 A301 H302 K305	T273-F275 PolarHBondContact O-N 3.06Å; T273-F275 VanDerWaalsContact O-N 3.14Å; T273-F275 PolarHBondContact OG1-N 3.2Å; F275-A301 HydrophobicContact CD1-CB 3.88Å; F275-A301 VanDerWaalsContact CD1-O 3.32Å; F275-A301 WeakPolarHBondContact CD1-O 3.4Å; F275-A301 HydrophobicContact CE1-CB 4.17Å; F275-A301 WeakPolarHBondContact CE1-O 3.38Å; F275-H302 PolarHBondContact O-NE2 3.31Å; F275-K305 HydrophobicContact CB-CD 4.11Å; F275-K305 HydrophobicContact CD1-CB 3.81Å; F275-K305 HydrophobicContact CD1-CD 3.92Å; F275-K305 HydrophobicContact CD1-CG 4.39Å; F275-K305 HydrophobicContact CE1-CB 4.05Å; F275-K305 HydrophobicContact CG-CD 4.25Å
276	I	97.9	Very high	96.5	Very high	20 Å²	20	63.7 Å²	63.7	10%	0.103	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-137	79.5	177.1	-52.4	178.6	0	0	0	107	S261 M270 P272 T273	S261-I276 WeakPolarHBondContact O-CA 3.47Å; M270-I276 HydrophobicContact CB-CD1 4.29Å; M270-I276 HydrophobicContact CB-CG2 4.09Å; M270-I276 HydrophobicContact CE-CD1 3.66Å; M270-I276 HydrophobicContact SD-CD1 4.26Å; P272-I276 CarbonylContact C-O 3.56Å; P272-I276 VanDerWaalsContact CA-O 3.23Å; P272-I276 WeakPolarHBondContact CA-O 3.33Å; T273-I276 PolarHBondContact N-O 3.2Å; T273-I276 CarbonylContact O-C 3.49Å; T273-I276 PolarHBondContact O-N 2.98Å; T273-I276 PolarHBondContact OG1-N 2.86Å
277	P	98.6	Very high	96.8	Very high	4 Å²	4	59 Å²	59	3%	0.026	31%	0.31	C	S	.	.			trans	-65.4	159.2	179.9	28.6	-35.3	0	0	0	111.2	V262 S263 A281 Y282 Y299 H302	V262-P277 WeakPolarHBondContact CG1-O 3.4Å; V262-P277 HydrophobicContact CG2-CG 4.29Å; S263-P277 PolarHBondContact N-O 3.37Å; P277-A281 HydrophobicContact CB-CB 4.08Å; P277-Y282 HydrophobicContact CG-CD2 4.34Å; P277-Y299 HydrophobicContact CB-CD1 4.3Å; P277-Y299 HydrophobicContact CB-CD2 4.5Å; P277-Y299 HydrophobicContact CB-CE1 3.82Å; P277-Y299 HydrophobicContact CB-CE2 4.06Å; P277-Y299 HydrophobicContact CG-CD1 3.83Å; P277-Y299 HydrophobicContact CG-CD2 4.47Å; P277-Y299 HydrophobicContact CG-CE1 3.81Å; P277-Y299 HydrophobicContact CG-CE2 4.48Å; P277-Y299 HydrophobicContact CG-CG 4.18Å; P277-H302 VanDerWaalsContact CD-NE2 3.26Å; P277-H302 WeakPolarHBondContact CD-NE2 3.45Å
278	T	98.7	Very high	97.3	Very high	60 Å²	60	58.5 Å²	58.5	37%	0.368	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-65.8	157.8	161.5	64.1	0	0	0	0	109.8	P272 K280 A281 Y282	P272-T278 HydrophobicContact CB-CG2 4.09Å; P272-T278 HydrophobicContact CG-CG2 3.89Å; T278-K280 PolarHBondContact O-N 2.99Å; T278-A281 PolarHBondContact O-N 3.2Å; T278-A281 WeakPolarHBondContact OG1-CB 3.48Å; T278-A281 PolarHBondContact OG1-N 3.11Å; T278-Y282 WeakPolarHBondContact O-CB 3.39Å; T278-Y282 PolarHBondContact O-N 3.44Å
279	A	98.7	Very high	97.6	Very high	14 Å²	14	51.5 Å²	51.5	12%	0.116	27%	0.269	C	S	.	.	H	α-helix	trans	-53.3	-41	174.5	0	0	0	0	0	112.8	G84 A88 V262 T264 Y282 A283	G84-A279 VanDerWaalsContact C-CB 3.45Å; G84-A279 WeakPolarHBondContact O-CB 3.47Å; A88-A279 VanDerWaalsContact CB-C 3.48Å; A88-A279 HydrophobicContact CB-CB 3.94Å; A88-A279 WeakPolarHBondContact CB-O 3.15Å; V262-A279 HydrophobicContact CG1-CB 4.39Å; T264-A279 HydrophobicContact CG2-CB 4.16Å; A279-Y282 PolarHBondContact O-N 3.43Å; A279-A283 WeakPolarHBondContact O-CB 3.21Å; A279-A283 PolarHBondContact O-N 3.38Å
280	K	98.6	Very high	98	Very high	105 Å²	105	45.9 Å²	45.9	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-48.9	176.7	-173.6	163.7	-177.7	154.4	0	112.8	E91 T278 Y282 A283 K284	E91-K280 IonicContact OE1-NZ 2.7Å; E91-K280 PolarHBondContact OE1-NZ 2.98Å; T278-K280 PolarHBondContact O-N 2.99Å; K280-Y282 VanDerWaalsContact C-N 3.27Å; K280-Y282 PolarHBondContact O-N 3.18Å; K280-A283 PolarHBondContact O-N 3.45Å; K280-K284 WeakPolarHBondContact O-CB 3.37Å; K280-K284 PolarHBondContact O-N 3.27Å; K280-K284 VanDerWaalsContact O-N 3.09Å
281	A	98.7	Very high	98.1	Very high	38 Å²	38	43.7 Å²	43.7	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-37.8	177.2	0	0	0	0	0	111.8	P277 T278 S285	P277-A281 HydrophobicContact CB-CB 4.08Å; T278-A281 PolarHBondContact O-N 3.2Å; T278-A281 WeakPolarHBondContact OG1-CB 3.48Å; T278-A281 PolarHBondContact OG1-N 3.11Å; A281-S285 WeakPolarHBondContact O-CB 3.42Å; A281-S285 PolarHBondContact O-N 3.38Å
282	Y	98.9	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-55.7	175.8	177.8	-100.4	0	0	0	112.2	I85 Y89 M257 P259 V262 P277 T278 A279 K280 K284 S285 S286 T297	I85-Y282 HydrophobicContact CD1-CD1 3.95Å; I85-Y282 HydrophobicContact CD1-CE1 3.91Å; I85-Y282 HydrophobicContact CG1-CD1 3.92Å; I85-Y282 HydrophobicContact CG1-CE1 4.28Å; I85-Y282 HydrophobicContact CG2-CD1 4Å; I85-Y282 HydrophobicContact CG2-CE1 3.9Å; Y89-Y282 HydrophobicContact CE2-CE1 4.36Å; M257-Y282 WeakPolarHBondContact CB-OH 3.46Å; P259-Y282 HydrophobicContact CB-CE1 4.4Å; P259-Y282 HydrophobicContact CB-CE2 3.66Å; P259-Y282 WeakPolarHBondContact CB-OH 3.42Å; P259-Y282 WeakPolarHBondContact CD-OH 3.26Å; P259-Y282 WeakPolarHBondContact CG-OH 3.32Å; V262-Y282 HydrophobicContact CG1-CG 4.24Å; V262-Y282 HydrophobicContact CG2-CD1 4.2Å; V262-Y282 HydrophobicContact CG2-CD2 3.81Å; V262-Y282 HydrophobicContact CG2-CE2 4.31Å; V262-Y282 HydrophobicContact CG2-CG 3.75Å; P277-Y282 HydrophobicContact CG-CD2 4.34Å; T278-Y282 WeakPolarHBondContact O-CB 3.39Å; T278-Y282 PolarHBondContact O-N 3.44Å; A279-Y282 PolarHBondContact O-N 3.43Å; K280-Y282 VanDerWaalsContact C-N 3.27Å; K280-Y282 PolarHBondContact O-N 3.18Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 3.44Å; Y282-S285 PolarHBondContact O-N 3.2Å; Y282-S286 WeakPolarHBondContact O-CB 3.26Å; Y282-S286 PolarHBondContact O-N 3.31Å; Y282-T297 WeakPolarHBondContact CE2-O 3.48Å; Y282-T297 PolarHBondContact OH-O 2.84Å
283	A	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-42.7	-176.7	0	0	0	0	0	111.9	A88 Y89 E92 A279 K280 S286 L287	A88-A283 HydrophobicContact CB-CB 3.56Å; Y89-A283 HydrophobicContact CD2-CB 3.86Å; Y89-A283 HydrophobicContact CE2-CB 4.25Å; Y89-A283 HydrophobicContact CG-CB 4.26Å; E92-A283 HydrophobicContact CG-CB 4.39Å; A279-A283 WeakPolarHBondContact O-CB 3.21Å; A279-A283 PolarHBondContact O-N 3.38Å; K280-A283 PolarHBondContact O-N 3.45Å; A283-S286 PolarHBondContact O-N 3.25Å; A283-L287 WeakPolarHBondContact O-CB 3.47Å; A283-L287 PolarHBondContact O-N 3.26Å
284	K	98.8	Very high	98.2	Very high	93 Å²	93	35.8 Å²	35.8	40%	0.404	19%	0.191	S	C	.	.	H	α-helix	trans	-57.1	-52.9	174.9	-175.3	-87.3	-177.8	-160.2	0	111.7	R66 E92 K280 Y282 S286 L287 D288	R66-K284 PolarHBondContact NH1-O 3.37Å; R66-K284 VanDerWaalsContact NH1-O 3.13Å; E92-K284 HydrophobicContact CG-CB 4.21Å; E92-K284 WeakPolarHBondContact OE2-CG 3.35Å; K280-K284 WeakPolarHBondContact O-CB 3.37Å; K280-K284 PolarHBondContact O-N 3.27Å; K280-K284 VanDerWaalsContact O-N 3.09Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 3.44Å; K284-S286 VanDerWaalsContact C-N 3.3Å; K284-S286 PolarHBondContact O-N 3.13Å; K284-L287 PolarHBondContact O-N 3.37Å; K284-D288 WeakPolarHBondContact CE-OD2 3.38Å; K284-D288 IonicContact NZ-OD2 2.72Å; K284-D288 PolarHBondContact NZ-OD2 3.45Å; K284-D288 PolarHBondContact O-N 3.1Å
285	S	98.8	Very high	98.3	Very high	20 Å²	20	33 Å²	33	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-38.5	178.5	177.9	0	0	0	0	112	A281 Y282 D288 M289 G298	A281-S285 WeakPolarHBondContact O-CB 3.42Å; A281-S285 PolarHBondContact O-N 3.38Å; Y282-S285 PolarHBondContact O-N 3.2Å; S285-D288 WeakPolarHBondContact O-CB 3.33Å; S285-D288 PolarHBondContact O-N 3.42Å; S285-M289 WeakPolarHBondContact O-CG 3.02Å; S285-M289 PolarHBondContact O-N 3.09Å; S285-G298 CarbonylContact C-O 3.55Å; S285-G298 WeakPolarHBondContact CB-O 3.33Å; S285-G298 PolarHBondContact OG-O 3.45Å
286	S	98.8	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-41.3	-178.1	-159.9	0	0	0	0	111.3	Y89 M257 Y282 A283 K284 M289 G298	Y89-S286 WeakPolarHBondContact OH-CB 3.32Å; Y89-S286 PolarHBondContact OH-OG 2.89Å; M257-S286 VanDerWaalsContact CE-O 3.23Å; M257-S286 WeakPolarHBondContact CE-O 3.47Å; M257-S286 WeakPolarHBondContact CE-OG 3.14Å; M257-S286 WeakPolarHBondContact CG-OG 3.34Å; M257-S286 PolarHBondContact SD-OG 3.5Å; Y282-S286 WeakPolarHBondContact O-CB 3.26Å; Y282-S286 PolarHBondContact O-N 3.31Å; A283-S286 PolarHBondContact O-N 3.25Å; K284-S286 VanDerWaalsContact C-N 3.3Å; K284-S286 PolarHBondContact O-N 3.13Å; S286-M289 WeakPolarHBondContact O-CB 3.41Å; S286-M289 PolarHBondContact O-N 3.32Å; S286-G298 WeakPolarHBondContact CA-O 3.37Å; S286-G298 PolarHBondContact N-O 3.29Å
287	L	98.6	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-32.7	172.8	-80	168.5	0	0	0	112.8	R66 L69 Y89 E92 L93 I212 A283 K284 M289 Y290	R66-L287 WeakPolarHBondContact CB-O 3.47Å; L69-L287 HydrophobicContact CD1-CD2 4.28Å; Y89-L287 HydrophobicContact CD1-CD1 3.87Å; Y89-L287 HydrophobicContact CD1-CD2 3.9Å; Y89-L287 HydrophobicContact CD1-CG 3.77Å; Y89-L287 HydrophobicContact CE1-CD1 4.13Å; Y89-L287 HydrophobicContact CE1-CD2 3.58Å; Y89-L287 HydrophobicContact CE1-CG 3.49Å; Y89-L287 VanDerWaalsContact CE1-CG 3.49Å; E92-L287 HydrophobicContact CB-CD1 3.39Å; E92-L287 HydrophobicContact CG-CD1 4.43Å; L93-L287 HydrophobicContact CD2-CD1 4.28Å; L93-L287 HydrophobicContact CD2-CD2 3.92Å; L93-L287 HydrophobicContact CG-CD1 4.09Å; L93-L287 HydrophobicContact CG-CD2 4.41Å; I212-L287 HydrophobicContact CD1-CD2 3.9Å; A283-L287 WeakPolarHBondContact O-CB 3.47Å; A283-L287 PolarHBondContact O-N 3.26Å; K284-L287 PolarHBondContact O-N 3.37Å; L287-M289 PolarHBondContact O-N 3.06Å; L287-M289 VanDerWaalsContact O-N 3.16Å; L287-Y290 WeakPolarHBondContact O-CB 3.42Å; L287-Y290 PolarHBondContact O-N 2.89Å
288	D	98.6	Very high	98.3	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-25.1	171.9	-67.9	-13.5	0	0	0	111.6	K60 S64 R66 K284 S285 Y290	K60-D288 HydrophobicContact CD-CB 3.92Å; K60-D288 HydrophobicContact CG-CB 4.25Å; S64-D288 WeakPolarHBondContact CB-O 3.24Å; S64-D288 PolarHBondContact OG-O 3.32Å; R66-D288 WeakPolarHBondContact CD-OD1 3.48Å; R66-D288 IonicContact CZ-OD1 3.39Å; R66-D288 IonicContact NE-OD1 3.53Å; R66-D288 IonicContact NH1-OD1 3.65Å; R66-D288 PolarHBondContact NH1-OD1 2.89Å; K284-D288 WeakPolarHBondContact CE-OD2 3.38Å; K284-D288 IonicContact NZ-OD2 2.72Å; K284-D288 PolarHBondContact NZ-OD2 3.45Å; K284-D288 PolarHBondContact O-N 3.1Å; S285-D288 WeakPolarHBondContact O-CB 3.33Å; S285-D288 PolarHBondContact O-N 3.42Å; D288-Y290 VanDerWaalsContact C-N 3.32Å
289	M	98.5	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.2	175.3	-62.6	-58.8	-66.5	0	0	113.6	K55 F56 K60 Q255 S285 S286 L287 G291 V292 E293 T296	K55-M289 HydrophobicContact CD-CE 4.46Å; K55-M289 HydrophobicContact CG-CE 3.8Å; F56-M289 HydrophobicContact CD1-CE 4.49Å; F56-M289 HydrophobicContact CD1-CG 4.29Å; F56-M289 HydrophobicContact CD1-SD 3.82Å; F56-M289 HydrophobicContact CE1-CE 4.36Å; F56-M289 HydrophobicContact CE1-CG 3.91Å; F56-M289 HydrophobicContact CE1-SD 3.96Å; K60-M289 HydrophobicContact CB-SD 3.98Å; K60-M289 HydrophobicContact CD-SD 4.2Å; K60-M289 HydrophobicContact CG-SD 3.92Å; Q255-M289 PolarHBondContact NE2-O 3.43Å; S285-M289 WeakPolarHBondContact O-CG 3.02Å; S285-M289 PolarHBondContact O-N 3.09Å; S286-M289 WeakPolarHBondContact O-CB 3.41Å; S286-M289 PolarHBondContact O-N 3.32Å; L287-M289 PolarHBondContact O-N 3.06Å; L287-M289 VanDerWaalsContact O-N 3.16Å; M289-G291 PolarHBondContact O-N 3.41Å; M289-G291 VanDerWaalsContact O-N 3.16Å; M289-V292 HydrophobicContact CE-CB 3.89Å; M289-V292 HydrophobicContact CE-CG1 3.65Å; M289-V292 WeakPolarHBondContact O-CB 3.48Å; M289-V292 WeakPolarHBondContact O-CG2 3.44Å; M289-V292 PolarHBondContact O-N 2.9Å; M289-E293 HydrophobicContact CE-CG 4.49Å; M289-T296 HydrophobicContact CB-CG2 4.32Å
290	Y	98.3	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	119.5	-178.7	-178.2	-110.6	0	0	0	112	K65 L69 N208 G210 I212 I253 L287 D288 V292	K65-Y290 HydrophobicContact CB-CD1 3.85Å; K65-Y290 HydrophobicContact CB-CE1 4.14Å; K65-Y290 PolarHBondContact N-O 3.44Å; L69-Y290 HydrophobicContact CD1-CD1 4.25Å; L69-Y290 HydrophobicContact CD2-CD1 3.99Å; L69-Y290 HydrophobicContact CD2-CE1 3.43Å; L69-Y290 VanDerWaalsContact CD2-CE1 3.43Å; L69-Y290 HydrophobicContact CD2-CE2 4.26Å; L69-Y290 HydrophobicContact CG-CD1 3.98Å; L69-Y290 HydrophobicContact CG-CE1 3.82Å; N208-Y290 PolarHBondContact O-OH 3.11Å; G210-Y290 WeakPolarHBondContact CA-OH 3.49Å; G210-Y290 PolarHBondContact N-OH 3.05Å; I212-Y290 HydrophobicContact CD1-CD2 3.78Å; I212-Y290 HydrophobicContact CD1-CE2 4.17Å; I212-Y290 HydrophobicContact CG1-CD2 4.07Å; I212-Y290 HydrophobicContact CG1-CE2 4.14Å; I253-Y290 HydrophobicContact CB-CE2 4.14Å; I253-Y290 HydrophobicContact CD1-CD1 4.31Å; I253-Y290 HydrophobicContact CD1-CE1 3.53Å; I253-Y290 HydrophobicContact CD1-CE2 4.37Å; I253-Y290 HydrophobicContact CG2-CD2 4.27Å; I253-Y290 HydrophobicContact CG2-CE2 3.76Å; L287-Y290 WeakPolarHBondContact O-CB 3.42Å; L287-Y290 PolarHBondContact O-N 2.89Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; Y290-V292 VanDerWaalsContact C-N 3.26Å; Y290-V292 PolarHBondContact O-N 2.91Å
291	G	96.8	Very high	98.3	Very high	26 Å²	26	25.7 Å²	25.7	27%	0.268	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	0.8	-177.7	0	0	0	0	0	116.3	M289	M289-G291 PolarHBondContact O-N 3.41Å; M289-G291 VanDerWaalsContact O-N 3.16Å
292	V	97.9	Very high	98.3	Very high	17 Å²	17	23.9 Å²	23.9	10%	0.103	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-45.8	-178.9	-176.9	0	0	0	0	111.9	K59 F63 M289 Y290	K59-V292 HydrophobicContact CB-CG1 3.9Å; F63-V292 HydrophobicContact CB-CG2 4.49Å; M289-V292 HydrophobicContact CE-CB 3.89Å; M289-V292 HydrophobicContact CE-CG1 3.65Å; M289-V292 WeakPolarHBondContact O-CB 3.48Å; M289-V292 WeakPolarHBondContact O-CG2 3.44Å; M289-V292 PolarHBondContact O-N 2.9Å; Y290-V292 VanDerWaalsContact C-N 3.26Å; Y290-V292 PolarHBondContact O-N 2.91Å
293	E	96.8	Very high	98.2	Very high	54 Å²	54	25.4 Å²	25.4	25%	0.252	13%	0.126	S	C	.	.			trans	-137.4	134.1	178.1	-71.1	-68.3	170.3	0	0	108.1	K55 K59 Q255 M289 Q295	K55-E293 HydrophobicContact CD-CG 4.1Å; K55-E293 HydrophobicContact CG-CG 4.38Å; K59-E293 IonicContact NZ-OE1 3.3Å; K59-E293 PolarHBondContact NZ-OE1 3.43Å; Q255-E293 PolarHBondContact NE2-O 3.39Å; M289-E293 HydrophobicContact CE-CG 4.49Å; E293-Q295 PolarHBondContact O-N 2.93Å
294	Q	97.3	Very high	98.2	Very high	83 Å²	83	27.1 Å²	27.1	39%	0.388	14%	0.135	S	C	.	.	S	Bend	trans	-61.2	-34.1	177.7	-170.8	-171	-44.5	0	0	111.6	A244 I254 Q255 T256	A244-Q294 VanDerWaalsContact CB-CD 3.46Å; A244-Q294 HydrophobicContact CB-CG 4.08Å; A244-Q294 VanDerWaalsContact CB-NE2 3.29Å; I254-Q294 WeakPolarHBondContact O-CG 3.36Å; Q255-Q294 CarbonylContact C-O 3.51Å; Q255-Q294 WeakPolarHBondContact CA-O 3.36Å; T256-Q294 PolarHBondContact N-O 3.44Å
295	Q	98.4	Very high	98	Very high	59 Å²	59	25.3 Å²	25.3	28%	0.276	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.4	177.8	-70.3	170.7	81.5	0	0	110.2	K241 T256 E293	K241-Q295 VanDerWaalsContact CE-CD 3.4Å; T256-Q295 WeakPolarHBondContact O-CA 3.25Å; E293-Q295 PolarHBondContact O-N 2.93Å
296	T	98.2	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.8	176.9	-177.6	0	0	0	0	111.3	K55 T256 M257 H258 M289 G298 E303	K55-T296 WeakPolarHBondContact CE-OG1 3.48Å; K55-T296 PolarHBondContact NZ-OG1 3.39Å; T256-T296 PolarHBondContact O-N 3.21Å; T256-T296 VanDerWaalsContact O-N 3.16Å; M257-T296 CarbonylContact C-O 3.54Å; M257-T296 VanDerWaalsContact CA-O 3.27Å; M257-T296 WeakPolarHBondContact CA-O 3.41Å; M257-T296 HydrophobicContact SD-CG2 3.62Å; H258-T296 PolarHBondContact CD2-O 2.85Å; H258-T296 PolarHBondContact N-O 3.22Å; H258-T296 WeakPolarHBondContact NE2-CA 3.29Å; H258-T296 PolarHBondContact NE2-N 3.49Å; M289-T296 HydrophobicContact CB-CG2 4.32Å; T296-G298 PolarHBondContact O-N 3.45Å; T296-G298 PolarHBondContact OG1-N 2.94Å; T296-E303 PolarHBondContact OG1-OE2 3.34Å
297	T	98.3	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.131	C	C	.	.			trans	-68.1	-11.9	168.3	61.9	0	0	0	0	113.9	H258 L260 Y282 Y299 H302 E303 A306	H258-T297 PolarHBondContact CE1-N 3.41Å; H258-T297 WeakPolarHBondContact ND1-CG2 3.47Å; H258-T297 PolarHBondContact ND1-N 3.07Å; L260-T297 HydrophobicContact CD1-CG2 4.02Å; Y282-T297 WeakPolarHBondContact CE2-O 3.48Å; Y282-T297 PolarHBondContact OH-O 2.84Å; T297-Y299 PolarHBondContact O-N 3.01Å; T297-Y299 VanDerWaalsContact O-N 3.17Å; T297-Y299 PolarHBondContact OG1-O 3.07Å; T297-Y299 VanDerWaalsContact OG1-O 3.11Å; T297-H302 HydrophobicContact CG2-CB 4.01Å; T297-E303 WeakPolarHBondContact CB-OE2 3.2Å; T297-E303 VanDerWaalsContact CG2-OE2 3.32Å; T297-E303 WeakPolarHBondContact CG2-OE2 3.43Å; T297-E303 PolarHBondContact N-OE2 2.95Å; T297-E303 PolarHBondContact OG1-N 3.46Å; T297-E303 VanDerWaalsContact OG1-N 3.15Å; T297-E303 PolarHBondContact OG1-OE2 2.85Å; T297-A306 HydrophobicContact CG2-CB 4.22Å
298	G	98.3	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	75.1	-8.4	-178.6	0	0	0	0	0	114.9	S285 S286 T296	S285-G298 CarbonylContact C-O 3.55Å; S285-G298 WeakPolarHBondContact CB-O 3.33Å; S285-G298 PolarHBondContact OG-O 3.45Å; S286-G298 WeakPolarHBondContact CA-O 3.37Å; S286-G298 PolarHBondContact N-O 3.29Å; T296-G298 PolarHBondContact O-N 3.45Å; T296-G298 PolarHBondContact OG1-N 2.94Å
299	Y	98.7	Very high	97	Very high	43 Å²	43	33.5 Å²	33.5	17%	0.169	16%	0.162	C	C	.	.	S	Bend	trans	-143.5	129	-173.6	-167	-111.9	0	0	0	111.7	L274 P277 T297 A301 H302 E303	L274-Y299 WeakPolarHBondContact O-CE1 3.36Å; P277-Y299 HydrophobicContact CB-CD1 4.3Å; P277-Y299 HydrophobicContact CB-CD2 4.5Å; P277-Y299 HydrophobicContact CB-CE1 3.82Å; P277-Y299 HydrophobicContact CB-CE2 4.06Å; P277-Y299 HydrophobicContact CG-CD1 3.83Å; P277-Y299 HydrophobicContact CG-CD2 4.47Å; P277-Y299 HydrophobicContact CG-CE1 3.81Å; P277-Y299 HydrophobicContact CG-CE2 4.48Å; P277-Y299 HydrophobicContact CG-CG 4.18Å; T297-Y299 PolarHBondContact O-N 3.01Å; T297-Y299 VanDerWaalsContact O-N 3.17Å; T297-Y299 PolarHBondContact OG1-O 3.07Å; T297-Y299 VanDerWaalsContact OG1-O 3.11Å; Y299-A301 HydrophobicContact CD1-CB 3.96Å; Y299-A301 HydrophobicContact CE1-CB 3.75Å; Y299-A301 PolarHBondContact O-N 2.88Å; Y299-H302 AromaticContact CD1-CD2 3.94Å; Y299-H302 WeakPolarHBondContact O-CA 3.3Å; Y299-H302 VanDerWaalsContact O-CB 3.31Å; Y299-H302 WeakPolarHBondContact O-CB 3.29Å; Y299-H302 PolarHBondContact O-N 3.17Å; Y299-E303 PolarHBondContact O-N 2.9Å
300	F	98.4	Very high	96.4	Very high	80 Å²	80	37.9 Å²	37.9	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-54.1	-48.5	-172.3	169.9	-104.5	0	0	0	113.5	I52 F56 H302 E303 L304	I52-F300 HydrophobicContact CG2-CD2 4Å; I52-F300 HydrophobicContact CG2-CE2 3.91Å; F56-F300 HydrophobicContact CB-CB 4.21Å; F56-F300 HydrophobicContact CB-CD2 4.04Å; F56-F300 HydrophobicContact CD1-CB 4.03Å; F56-F300 HydrophobicContact CD2-CB 4.17Å; F56-F300 AromaticContact CD2-CD2 3.92Å; F56-F300 HydrophobicContact CD2-CD2 3.92Å; F56-F300 HydrophobicContact CE1-CB 4.46Å; F56-F300 HydrophobicContact CG-CB 3.87Å; F56-F300 HydrophobicContact CG-CD2 4.11Å; F56-F300 HydrophobicContact CG-CG 4.49Å; F300-H302 VanDerWaalsContact C-N 3.25Å; F300-H302 PolarHBondContact O-N 2.91Å; F300-E303 WeakPolarHBondContact O-CB 3.46Å; F300-E303 PolarHBondContact O-N 2.95Å; F300-E303 VanDerWaalsContact O-N 3.12Å; F300-L304 PolarHBondContact O-N 3.28Å
301	A	98.5	Very high	96	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-29.5	-179.4	0	0	0	0	0	112.5	L274 F275 Y299 K305	L274-A301 HydrophobicContact CD1-CB 4.29Å; L274-A301 HydrophobicContact CG-CB 4.08Å; L274-A301 WeakPolarHBondContact O-CB 3.4Å; F275-A301 HydrophobicContact CD1-CB 3.88Å; F275-A301 VanDerWaalsContact CD1-O 3.32Å; F275-A301 WeakPolarHBondContact CD1-O 3.4Å; F275-A301 HydrophobicContact CE1-CB 4.17Å; F275-A301 WeakPolarHBondContact CE1-O 3.38Å; Y299-A301 HydrophobicContact CD1-CB 3.96Å; Y299-A301 HydrophobicContact CE1-CB 3.75Å; Y299-A301 PolarHBondContact O-N 2.88Å; A301-K305 VanDerWaalsContact O-CB 3.29Å; A301-K305 WeakPolarHBondContact O-CB 3.18Å; A301-K305 PolarHBondContact O-N 3.28Å
302	H	98.5	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-42.9	172.5	-73.8	-178.5	0	0	0	111.2	L260 S261 F275 P277 T297 Y299 F300 L304 K305 A306	L260-H302 HydrophobicContact CD1-CB 3.82Å; L260-H302 PolarHBondContact N-CE1 2.69Å; L260-H302 PolarHBondContact N-ND1 3.04Å; S261-H302 PolarHBondContact O-NE2 3.26Å; F275-H302 PolarHBondContact O-NE2 3.31Å; P277-H302 VanDerWaalsContact CD-NE2 3.26Å; P277-H302 WeakPolarHBondContact CD-NE2 3.45Å; T297-H302 HydrophobicContact CG2-CB 4.01Å; Y299-H302 AromaticContact CD1-CD2 3.94Å; Y299-H302 WeakPolarHBondContact O-CA 3.3Å; Y299-H302 VanDerWaalsContact O-CB 3.31Å; Y299-H302 WeakPolarHBondContact O-CB 3.29Å; Y299-H302 PolarHBondContact O-N 3.17Å; F300-H302 VanDerWaalsContact C-N 3.25Å; F300-H302 PolarHBondContact O-N 2.91Å; H302-L304 VanDerWaalsContact C-N 3.34Å; H302-L304 PolarHBondContact O-N 3.2Å; H302-K305 PolarHBondContact O-N 2.85Å; H302-A306 WeakPolarHBondContact O-CB 3.27Å; H302-A306 PolarHBondContact O-N 3.28Å
303	E	98	Very high	95.4	Very high	32 Å²	32	46.9 Å²	46.9	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-42.5	178.4	-156.1	83.1	-179.7	0	0	111.4	I52 K55 F56 T296 T297 Y299 F300 A306 Y307	I52-E303 HydrophobicContact CD1-CG 4.23Å; I52-E303 HydrophobicContact CG1-CG 4.05Å; I52-E303 HydrophobicContact CG2-CB 3.85Å; I52-E303 HydrophobicContact CG2-CG 3.82Å; K55-E303 IonicContact NZ-OE1 3.24Å; K55-E303 PolarHBondContact NZ-OE1 2.88Å; K55-E303 IonicContact NZ-OE2 2.9Å; K55-E303 PolarHBondContact NZ-OE2 2.8Å; F56-E303 HydrophobicContact CE2-CB 3.61Å; F56-E303 HydrophobicContact CE2-CG 3.88Å; F56-E303 HydrophobicContact CZ-CB 4.12Å; T296-E303 PolarHBondContact OG1-OE2 3.34Å; T297-E303 WeakPolarHBondContact CB-OE2 3.2Å; T297-E303 VanDerWaalsContact CG2-OE2 3.32Å; T297-E303 WeakPolarHBondContact CG2-OE2 3.43Å; T297-E303 PolarHBondContact N-OE2 2.95Å; T297-E303 PolarHBondContact OG1-N 3.46Å; T297-E303 VanDerWaalsContact OG1-N 3.15Å; T297-E303 PolarHBondContact OG1-OE2 2.85Å; Y299-E303 PolarHBondContact O-N 2.9Å; F300-E303 WeakPolarHBondContact O-CB 3.46Å; F300-E303 PolarHBondContact O-N 2.95Å; F300-E303 VanDerWaalsContact O-N 3.12Å; E303-A306 PolarHBondContact O-N 2.94Å; E303-Y307 VanDerWaalsContact O-CB 3.32Å; E303-Y307 WeakPolarHBondContact O-CB 3.41Å; E303-Y307 PolarHBondContact O-N 2.97Å
304	L	97.1	Very high	95.2	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.183	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-45.5	175.4	-172.6	64.4	0	0	0	111.7	V49 F300 H302 Y307 F308	V49-L304 HydrophobicContact CG1-CD1 4.11Å; F300-L304 PolarHBondContact O-N 3.28Å; H302-L304 VanDerWaalsContact C-N 3.34Å; H302-L304 PolarHBondContact O-N 3.2Å; L304-Y307 WeakPolarHBondContact O-CB 3.39Å; L304-Y307 PolarHBondContact O-N 3Å; L304-F308 HydrophobicContact CD1-CD2 4.12Å; L304-F308 HydrophobicContact CD1-CE2 3.42Å; L304-F308 VanDerWaalsContact CD1-CE2 3.42Å; L304-F308 HydrophobicContact CD1-CZ 4.15Å; L304-F308 HydrophobicContact CD2-CE2 4.34Å; L304-F308 HydrophobicContact CG-CD2 4.03Å; L304-F308 HydrophobicContact CG-CE2 3.64Å; L304-F308 WeakPolarHBondContact O-CD2 3.36Å; L304-F308 PolarHBondContact O-N 3.46Å; L304-F308 VanDerWaalsContact O-N 3.07Å
305	K	96.1	Very high	95.1	Very high	55 Å²	55	48 Å²	48	24%	0.239	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-42.4	178	-176.2	169	175.3	179.9	0	112.2	L260 F275 A301 H302 Y307 F308 F309	L260-K305 HydrophobicContact CD2-CB 4.04Å; L260-K305 HydrophobicContact CD2-CD 3.65Å; L260-K305 HydrophobicContact CD2-CG 3.66Å; F275-K305 HydrophobicContact CB-CD 4.11Å; F275-K305 HydrophobicContact CD1-CB 3.81Å; F275-K305 HydrophobicContact CD1-CD 3.92Å; F275-K305 HydrophobicContact CD1-CG 4.39Å; F275-K305 HydrophobicContact CE1-CB 4.05Å; F275-K305 HydrophobicContact CG-CD 4.25Å; A301-K305 VanDerWaalsContact O-CB 3.29Å; A301-K305 WeakPolarHBondContact O-CB 3.18Å; A301-K305 PolarHBondContact O-N 3.28Å; H302-K305 PolarHBondContact O-N 2.85Å; K305-Y307 VanDerWaalsContact C-N 3.3Å; K305-Y307 PolarHBondContact O-N 3.06Å; K305-F308 PolarHBondContact O-N 3.07Å; K305-F309 HydrophobicContact CD-CE2 4.26Å; K305-F309 HydrophobicContact CD-CZ 4.39Å; K305-F309 VanDerWaalsContact CE-CZ 3.43Å; K305-F309 HydrophobicContact CG-CD2 4.13Å; K305-F309 HydrophobicContact CG-CE2 3.85Å; K305-F309 HydrophobicContact CG-CZ 4.09Å; K305-F309 WeakPolarHBondContact O-CB 3.49Å; K305-F309 WeakPolarHBondContact O-CG 3.46Å; K305-F309 PolarHBondContact O-N 3.06Å
306	A	95.6	Very high	94.8	Very high	15 Å²	15	47.9 Å²	47.9	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-44.2	174.1	0	0	0	0	0	111.2	Y217 L260 T297 H302 E303 F308 F309 K310	Y217-A306 HydrophobicContact CD2-CB 3.93Å; Y217-A306 HydrophobicContact CE2-CB 3.42Å; Y217-A306 VanDerWaalsContact CE2-CB 3.42Å; Y217-A306 PolarHBondContact OH-O 3.11Å; L260-A306 HydrophobicContact CD1-CB 4.26Å; T297-A306 HydrophobicContact CG2-CB 4.22Å; H302-A306 WeakPolarHBondContact O-CB 3.27Å; H302-A306 PolarHBondContact O-N 3.28Å; E303-A306 PolarHBondContact O-N 2.94Å; A306-F308 PolarHBondContact O-N 3.23Å; A306-F309 PolarHBondContact O-N 3.19Å; A306-K310 PolarHBondContact O-N 3.13Å
307	Y	94.6	Very high	94.5	Very high	24 Å²	24	48.4 Å²	48.4	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-48.7	176.5	179	-95.8	0	0	0	112.2	E45 K48 V49 I52 E303 L304 K305 F309 K310 F311	E45-Y307 VanDerWaalsContact CA-OH 3.28Å; E45-Y307 WeakPolarHBondContact CA-OH 3.42Å; E45-Y307 WeakPolarHBondContact CB-OH 3.28Å; E45-Y307 PolarHBondContact O-OH 2.87Å; E45-Y307 PolarHBondContact OE2-OH 2.97Å; K48-Y307 HydrophobicContact CB-CE2 3.47Å; K48-Y307 VanDerWaalsContact CB-CE2 3.47Å; K48-Y307 WeakPolarHBondContact CB-OH 3.3Å; K48-Y307 HydrophobicContact CD-CE2 3.91Å; K48-Y307 HydrophobicContact CG-CE2 4.31Å; V49-Y307 HydrophobicContact CG2-CD1 3.89Å; V49-Y307 HydrophobicContact CG2-CE1 3.43Å; V49-Y307 VanDerWaalsContact CG2-CE1 3.43Å; I52-Y307 HydrophobicContact CD1-CD2 3.97Å; I52-Y307 HydrophobicContact CD1-CG 3.88Å; E303-Y307 VanDerWaalsContact O-CB 3.32Å; E303-Y307 WeakPolarHBondContact O-CB 3.41Å; E303-Y307 PolarHBondContact O-N 2.97Å; L304-Y307 WeakPolarHBondContact O-CB 3.39Å; L304-Y307 PolarHBondContact O-N 3Å; K305-Y307 VanDerWaalsContact C-N 3.3Å; K305-Y307 PolarHBondContact O-N 3.06Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 3.36Å; Y307-K310 HydrophobicContact CD2-CD 4.15Å; Y307-K310 HydrophobicContact CE2-CD 4.23Å; Y307-K310 WeakPolarHBondContact O-CB 3.27Å; Y307-K310 WeakPolarHBondContact O-CD 3.32Å; Y307-K310 WeakPolarHBondContact O-CE 3.12Å; Y307-K310 WeakPolarHBondContact O-CG 3.43Å; Y307-K310 PolarHBondContact O-N 3.47Å; Y307-K310 PolarHBondContact OH-NZ 2.86Å; Y307-F311 HydrophobicContact CD1-CE2 4.31Å; Y307-F311 AromaticContact CE1-CE2 3.9Å; Y307-F311 HydrophobicContact CE1-CE2 3.9Å; Y307-F311 HydrophobicContact CE1-CZ 4.22Å
308	F	92.6	Very high	94.2	Very high	111 Å²	111	50.8 Å²	50.8	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-69.4	-31	178.3	-71.1	-62.6	0	0	0	113.1	L304 K305 A306 K310 F311	L304-F308 HydrophobicContact CD1-CD2 4.12Å; L304-F308 HydrophobicContact CD1-CE2 3.42Å; L304-F308 VanDerWaalsContact CD1-CE2 3.42Å; L304-F308 HydrophobicContact CD1-CZ 4.15Å; L304-F308 HydrophobicContact CD2-CE2 4.34Å; L304-F308 HydrophobicContact CG-CD2 4.03Å; L304-F308 HydrophobicContact CG-CE2 3.64Å; L304-F308 WeakPolarHBondContact O-CD2 3.36Å; L304-F308 PolarHBondContact O-N 3.46Å; L304-F308 VanDerWaalsContact O-N 3.07Å; K305-F308 PolarHBondContact O-N 3.07Å; A306-F308 PolarHBondContact O-N 3.23Å; F308-K310 PolarHBondContact O-N 3.12Å; F308-F311 HydrophobicContact CD1-CD2 4.24Å; F308-F311 HydrophobicContact CD1-CE2 4.06Å; F308-F311 WeakPolarHBondContact O-CD2 3.37Å; F308-F311 PolarHBondContact O-N 3.4Å; F308-F311 VanDerWaalsContact O-N 3.13Å
309	F	91	Very high	94	Very high	67 Å²	67	59.5 Å²	59.5	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-15.6	174.6	-81.4	-14.6	0	0	0	114.4	Y217 R221 L260 K305 A306 Y307 F311 L312	Y217-F309 HydrophobicContact CE1-CB 4.48Å; Y217-F309 AromaticContact CE1-CD2 3.81Å; Y217-F309 HydrophobicContact CE1-CD2 3.81Å; Y217-F309 WeakPolarHBondContact OH-CB 3.38Å; R221-F309 PolarHBondContact NH1-O 3.39Å; L260-F309 HydrophobicContact CD2-CD2 4.28Å; L260-F309 HydrophobicContact CD2-CE2 4.09Å; K305-F309 HydrophobicContact CD-CE2 4.26Å; K305-F309 HydrophobicContact CD-CZ 4.39Å; K305-F309 VanDerWaalsContact CE-CZ 3.43Å; K305-F309 HydrophobicContact CG-CD2 4.13Å; K305-F309 HydrophobicContact CG-CE2 3.85Å; K305-F309 HydrophobicContact CG-CZ 4.09Å; K305-F309 WeakPolarHBondContact O-CB 3.49Å; K305-F309 WeakPolarHBondContact O-CG 3.46Å; K305-F309 PolarHBondContact O-N 3.06Å; A306-F309 PolarHBondContact O-N 3.19Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 3.36Å; F309-F311 PolarHBondContact O-N 3.01Å; F309-L312 WeakPolarHBondContact O-CB 3.3Å; F309-L312 PolarHBondContact O-N 2.96Å
310	K	85.9	Confident	93.6	Very high	92 Å²	92	62.2 Å²	62.2	40%	0.4	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.6	172.4	88.3	-165.7	170.5	161.3	0	112.7	E45 A306 Y307 F308 L312	E45-K310 WeakPolarHBondContact OE2-CE 3.24Å; E45-K310 IonicContact OE2-NZ 2.66Å; E45-K310 PolarHBondContact OE2-NZ 3.44Å; A306-K310 PolarHBondContact O-N 3.13Å; Y307-K310 HydrophobicContact CD2-CD 4.15Å; Y307-K310 HydrophobicContact CE2-CD 4.23Å; Y307-K310 WeakPolarHBondContact O-CB 3.27Å; Y307-K310 WeakPolarHBondContact O-CD 3.32Å; Y307-K310 WeakPolarHBondContact O-CE 3.12Å; Y307-K310 WeakPolarHBondContact O-CG 3.43Å; Y307-K310 PolarHBondContact O-N 3.47Å; Y307-K310 PolarHBondContact OH-NZ 2.86Å; F308-K310 PolarHBondContact O-N 3.12Å; K310-L312 VanDerWaalsContact C-N 3.32Å
311	F	89.1	Confident	93.3	Very high	110 Å²	110	59.3 Å²	59.3	48%	0.482	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.7	178.8	-57.1	-69.6	0	0	0	112.8	E45 Y307 F308 F309 P313	E45-F311 HydrophobicContact CG-CE1 4.45Å; E45-F311 HydrophobicContact CG-CZ 4.1Å; E45-F311 WeakPolarHBondContact OE2-CZ 3.47Å; Y307-F311 HydrophobicContact CD1-CE2 4.31Å; Y307-F311 AromaticContact CE1-CE2 3.9Å; Y307-F311 HydrophobicContact CE1-CE2 3.9Å; Y307-F311 HydrophobicContact CE1-CZ 4.22Å; F308-F311 HydrophobicContact CD1-CD2 4.24Å; F308-F311 HydrophobicContact CD1-CE2 4.06Å; F308-F311 WeakPolarHBondContact O-CD2 3.37Å; F308-F311 PolarHBondContact O-N 3.4Å; F308-F311 VanDerWaalsContact O-N 3.13Å; F309-F311 PolarHBondContact O-N 3.01Å; F311-P313 VanDerWaalsContact O-CD 3.28Å; F311-P313 WeakPolarHBondContact O-CD 3.31Å
312	L	90.5	Very high	92.9	Very high	48 Å²	48	64.5 Å²	64.5	25%	0.251	32%	0.323	S	S	.	.	S	Bend	trans	-79.3	114.9	177	-176.4	68.1	0	0	0	109.2	F309 K310 V316 L320	F309-L312 WeakPolarHBondContact O-CB 3.3Å; F309-L312 PolarHBondContact O-N 2.96Å; K310-L312 VanDerWaalsContact C-N 3.32Å; L312-V316 HydrophobicContact CD1-CB 3.97Å; L312-V316 HydrophobicContact CD1-CG1 3.63Å; L312-V316 HydrophobicContact CG-CB 4.49Å; L312-L320 HydrophobicContact CD2-CD1 4.19Å
313	P	92.4	Very high	92.5	Very high	74 Å²	74	68.1 Å²	68.1	48%	0.481	35%	0.348	S	S	.	.			trans	-59.3	143.1	179.6	-22.7	33.9	0	0	0	111.5	F311 S315 V316 G317	F311-P313 VanDerWaalsContact O-CD 3.28Å; F311-P313 WeakPolarHBondContact O-CD 3.31Å; P313-S315 PolarHBondContact O-N 2.86Å; P313-V316 HydrophobicContact CB-CG2 4.15Å; P313-V316 HydrophobicContact CG-CG2 4.2Å; P313-V316 WeakPolarHBondContact O-CB 3.28Å; P313-V316 PolarHBondContact O-N 2.94Å; P313-G317 PolarHBondContact O-N 3.07Å
314	T	93	Very high	92	Very high	88 Å²	88	70.9 Å²	70.9	54%	0.54	36%	0.36	S	S	.	.	H	α-helix	trans	-54.8	-40.8	-178.6	-57.2	0	0	0	0	112.4	V222 V316 G317 V318	V222-T314 HydrophobicContact CB-CG2 3.87Å; V222-T314 HydrophobicContact CG1-CG2 4.36Å; V222-T314 HydrophobicContact CG2-CG2 3.99Å; T314-V316 VanDerWaalsContact C-N 3.33Å; T314-V316 PolarHBondContact O-N 3.33Å; T314-G317 PolarHBondContact O-N 3.21Å; T314-V318 HydrophobicContact CG2-CG2 4.3Å; T314-V318 VanDerWaalsContact O-CG2 3.31Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 3.19Å
315	S	93.6	Very high	91.5	Very high	72 Å²	72	69.4 Å²	69.4	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-40.5	177.4	56.1	0	0	0	0	112.7	P313 R319	P313-S315 PolarHBondContact O-N 2.86Å; S315-R319 VanDerWaalsContact O-CG 3.31Å; S315-R319 WeakPolarHBondContact O-CG 3.43Å; S315-R319 PolarHBondContact O-N 3.21Å; S315-R319 VanDerWaalsContact O-N 3.07Å
316	V	92.8	Very high	91.1	Very high	57 Å²	57	70 Å²	70	35%	0.345	36%	0.357	S	S	.	.	H	α-helix	trans	-68.8	-44.2	175.6	-176.6	0	0	0	0	110	L312 P313 T314 V318 R319 L320	L312-V316 HydrophobicContact CD1-CB 3.97Å; L312-V316 HydrophobicContact CD1-CG1 3.63Å; L312-V316 HydrophobicContact CG-CB 4.49Å; P313-V316 HydrophobicContact CB-CG2 4.15Å; P313-V316 HydrophobicContact CG-CG2 4.2Å; P313-V316 WeakPolarHBondContact O-CB 3.28Å; P313-V316 PolarHBondContact O-N 2.94Å; T314-V316 VanDerWaalsContact C-N 3.33Å; T314-V316 PolarHBondContact O-N 3.33Å; V316-V318 VanDerWaalsContact C-N 3.34Å; V316-V318 PolarHBondContact O-N 3.39Å; V316-R319 PolarHBondContact O-N 3.28Å; V316-L320 HydrophobicContact CG1-CD1 4.22Å; V316-L320 HydrophobicContact CG1-CG 4.4Å; V316-L320 WeakPolarHBondContact O-CG 3.38Å; V316-L320 PolarHBondContact O-N 3.47Å
317	G	91	Very high	90.6	Very high	11 Å²	11	71.9 Å²	71.9	11%	0.113	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-44.5	175.7	0	0	0	0	0	113	P313 T314 L320 M321	P313-G317 PolarHBondContact O-N 3.07Å; T314-G317 PolarHBondContact O-N 3.21Å; G317-L320 PolarHBondContact O-N 2.98Å; G317-M321 WeakPolarHBondContact O-CG 3.33Å; G317-M321 PolarHBondContact O-N 3.41Å
318	V	93.1	Very high	89.9	Confident	51 Å²	51	74.9 Å²	74.9	31%	0.309	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175.8	168.4	0	0	0	0	111.1	V222 P224 T314 V316 M321 K322	V222-V318 HydrophobicContact CG1-CG2 4.2Å; P224-V318 HydrophobicContact CG-CB 4.41Å; P224-V318 HydrophobicContact CG-CG1 4.25Å; P224-V318 HydrophobicContact CG-CG2 4.16Å; T314-V318 HydrophobicContact CG2-CG2 4.3Å; T314-V318 VanDerWaalsContact O-CG2 3.31Å; T314-V318 WeakPolarHBondContact O-CG2 3.31Å; T314-V318 PolarHBondContact O-N 3.19Å; V316-V318 VanDerWaalsContact C-N 3.34Å; V316-V318 PolarHBondContact O-N 3.39Å; V318-M321 PolarHBondContact O-N 2.9Å; V318-K322 PolarHBondContact O-N 3.02Å
319	R	93.7	Very high	89.2	Confident	183 Å²	183	74.6 Å²	74.6	69%	0.691	39%	0.388	S	S	*	.	H	α-helix	trans	-61.5	-44.2	176.4	-74	175.1	-176.2	-175.8	1.7	112.2	S315 V316 M321 K322 S323	S315-R319 VanDerWaalsContact O-CG 3.31Å; S315-R319 WeakPolarHBondContact O-CG 3.43Å; S315-R319 PolarHBondContact O-N 3.21Å; S315-R319 VanDerWaalsContact O-N 3.07Å; V316-R319 PolarHBondContact O-N 3.28Å; R319-M321 VanDerWaalsContact C-N 3.34Å; R319-M321 PolarHBondContact O-N 3.41Å; R319-K322 PolarHBondContact O-N 3.47Å; R319-S323 PolarHBondContact O-N 3.21Å; R319-S323 PolarHBondContact O-OG 2.92Å
320	L	90.9	Very high	88.5	Confident	100 Å²	100	79 Å²	79	52%	0.524	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-41.8	177.3	-71.7	174.1	0	0	0	111.9	L312 V316 G317 S323 K324	L312-L320 HydrophobicContact CD2-CD1 4.19Å; V316-L320 HydrophobicContact CG1-CD1 4.22Å; V316-L320 HydrophobicContact CG1-CG 4.4Å; V316-L320 WeakPolarHBondContact O-CG 3.38Å; V316-L320 PolarHBondContact O-N 3.47Å; G317-L320 PolarHBondContact O-N 2.98Å; L320-S323 PolarHBondContact O-N 3.47Å; L320-K324 WeakPolarHBondContact O-CB 3.29Å; L320-K324 PolarHBondContact O-N 2.94Å
321	M	90.5	Very high	87.4	Confident	19 Å²	19	81.1 Å²	81.1	9%	0.094	42%	0.423	C	S	.	.	H	α-helix	trans	-64	-43.7	175.7	-73.4	-59.4	-59.8	0	0	111.6	F164 Y223 P224 Y225 G317 V318 R319 S323 K324 V325	F164-M321 HydrophobicContact CD1-CE 3.87Å; F164-M321 HydrophobicContact CE1-CE 3.73Å; Y223-M321 HydrophobicContact CD1-CE 4.38Å; Y223-M321 HydrophobicContact CE1-CE 3.83Å; Y223-M321 HydrophobicContact CE1-SD 4.48Å; Y223-M321 HydrophobicContact CE2-CE 4.28Å; Y223-M321 HydrophobicContact CE2-SD 3.9Å; P224-M321 HydrophobicContact CG-CB 3.89Å; P224-M321 HydrophobicContact CG-CG 4.4Å; Y225-M321 HydrophobicContact CD2-CB 4.15Å; Y225-M321 HydrophobicContact CE2-CB 4.37Å; G317-M321 WeakPolarHBondContact O-CG 3.33Å; G317-M321 PolarHBondContact O-N 3.41Å; V318-M321 PolarHBondContact O-N 2.9Å; R319-M321 VanDerWaalsContact C-N 3.34Å; R319-M321 PolarHBondContact O-N 3.41Å; M321-S323 PolarHBondContact O-N 3.3Å; M321-K324 WeakPolarHBondContact O-CB 3.37Å; M321-K324 PolarHBondContact O-N 2.99Å; M321-V325 WeakPolarHBondContact O-CG2 3.44Å; M321-V325 PolarHBondContact O-N 3.36Å
322	K	90.8	Very high	85.8	Confident	111 Å²	111	84.7 Å²	84.7	48%	0.483	46%	0.457	S	S	.	.	H	α-helix	trans	-57.8	-48.3	174.4	-179.3	168.8	-176.9	177.5	0	111.6	Y225 V318 R319 K324 V325 I326	Y225-K322 VanDerWaalsContact CE2-CA 3.43Å; Y225-K322 HydrophobicContact CE2-CB 3.82Å; Y225-K322 VanDerWaalsContact OH-CB 3.29Å; Y225-K322 WeakPolarHBondContact OH-CB 3.41Å; Y225-K322 WeakPolarHBondContact OH-CD 3.46Å; Y225-K322 WeakPolarHBondContact OH-CG 3.44Å; V318-K322 PolarHBondContact O-N 3.02Å; R319-K322 PolarHBondContact O-N 3.47Å; K322-K324 VanDerWaalsContact C-N 3.3Å; K322-K324 PolarHBondContact O-N 3.4Å; K322-V325 PolarHBondContact O-N 2.98Å; K322-I326 HydrophobicContact CG-CD1 3.82Å; K322-I326 VanDerWaalsContact O-CG1 3.32Å; K322-I326 WeakPolarHBondContact O-CG1 3.5Å; K322-I326 PolarHBondContact O-N 2.84Å
323	S	90.8	Very high	85.6	Confident	75 Å²	75	86.6 Å²	86.6	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-39.1	177.4	-62.2	0	0	0	0	112.3	R319 L320 M321 A327	R319-S323 PolarHBondContact O-N 3.21Å; R319-S323 PolarHBondContact O-OG 2.92Å; L320-S323 PolarHBondContact O-N 3.47Å; M321-S323 PolarHBondContact O-N 3.3Å; S323-A327 WeakPolarHBondContact O-CB 3.2Å; S323-A327 PolarHBondContact O-N 3.18Å
324	K	87.3	Confident	85.2	Confident	91 Å²	91	87.2 Å²	87.2	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-45.2	176.7	-175.2	-178.8	176.3	-173.2	0	111.8	L320 M321 K322 A327 Q328	L320-K324 WeakPolarHBondContact O-CB 3.29Å; L320-K324 PolarHBondContact O-N 2.94Å; M321-K324 WeakPolarHBondContact O-CB 3.37Å; M321-K324 PolarHBondContact O-N 2.99Å; K322-K324 VanDerWaalsContact C-N 3.3Å; K322-K324 PolarHBondContact O-N 3.4Å; K324-A327 PolarHBondContact O-N 3.3Å; K324-Q328 WeakPolarHBondContact O-CG 3.32Å; K324-Q328 PolarHBondContact O-N 3.49Å
325	V	86.7	Confident	84.8	Confident	4 Å²	4	87.2 Å²	87.2	2%	0.024	46%	0.463	C	S	.	.	H	α-helix	trans	-64	-46.4	178.4	171.7	0	0	0	0	111.2	F164 Y225 M321 K322 A327 Q328 Q329	F164-V325 HydrophobicContact CB-CG2 3.74Å; F164-V325 WeakPolarHBondContact O-CG1 3.44Å; Y225-V325 HydrophobicContact CD1-CB 4.44Å; Y225-V325 HydrophobicContact CD1-CG1 4.21Å; Y225-V325 HydrophobicContact CD1-CG2 4.15Å; Y225-V325 HydrophobicContact CD2-CG2 3.84Å; Y225-V325 HydrophobicContact CG-CB 4.35Å; Y225-V325 HydrophobicContact CG-CG2 3.63Å; M321-V325 WeakPolarHBondContact O-CG2 3.44Å; M321-V325 PolarHBondContact O-N 3.36Å; K322-V325 PolarHBondContact O-N 2.98Å; V325-A327 VanDerWaalsContact C-N 3.26Å; V325-A327 PolarHBondContact O-N 3.3Å; V325-Q328 PolarHBondContact O-N 2.93Å; V325-Q328 VanDerWaalsContact O-N 3.11Å; V325-Q329 HydrophobicContact CG1-CG 4.44Å; V325-Q329 WeakPolarHBondContact O-CG 3.36Å; V325-Q329 PolarHBondContact O-N 3Å
326	I	86.9	Confident	84.3	Confident	67 Å²	67	88.1 Å²	88.1	34%	0.344	46%	0.46	S	S	.	.	H	α-helix	trans	-59.1	-39.4	176	-67.3	167.8	0	0	0	111.1	K322 Q329 K330	K322-I326 HydrophobicContact CG-CD1 3.82Å; K322-I326 VanDerWaalsContact O-CG1 3.32Å; K322-I326 WeakPolarHBondContact O-CG1 3.5Å; K322-I326 PolarHBondContact O-N 2.84Å; I326-Q329 PolarHBondContact O-N 3.11Å; I326-K330 HydrophobicContact CG2-CD 4.33Å; I326-K330 WeakPolarHBondContact O-CG 3.35Å; I326-K330 PolarHBondContact O-N 3Å
327	A	85.9	Confident	83.7	Confident	55 Å²	55	90 Å²	90	46%	0.455	47%	0.467	S	S	.	.	H	α-helix	trans	-67	-38	177.2	0	0	0	0	0	112.5	S323 K324 V325 K330 N331	S323-A327 WeakPolarHBondContact O-CB 3.2Å; S323-A327 PolarHBondContact O-N 3.18Å; K324-A327 PolarHBondContact O-N 3.3Å; V325-A327 VanDerWaalsContact C-N 3.26Å; V325-A327 PolarHBondContact O-N 3.3Å; A327-K330 PolarHBondContact O-N 3.44Å; A327-N331 PolarHBondContact O-N 3.19Å
328	Q	80	Confident	83.2	Confident	87 Å²	87	95.3 Å²	95.3	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-68.2	-38.7	176.1	-72.1	176.7	-46.3	0	0	112	K324 V325 K330 N331	K324-Q328 WeakPolarHBondContact O-CG 3.32Å; K324-Q328 PolarHBondContact O-N 3.49Å; V325-Q328 PolarHBondContact O-N 2.93Å; V325-Q328 VanDerWaalsContact O-N 3.11Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.41Å; Q328-N331 CarbonylContact O-C 3.59Å; Q328-N331 VanDerWaalsContact O-C 3.29Å; Q328-N331 PolarHBondContact O-N 3.4Å
329	Q	77.1	Confident	82.5	Confident	105 Å²	105	98.4 Å²	98.4	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-69.1	-25.9	176.8	-70.8	173.1	-17.8	0	0	113.2	E165 V325 I326	E165-Q329 PolarHBondContact OE2-NE2 3.34Å; V325-Q329 HydrophobicContact CG1-CG 4.44Å; V325-Q329 WeakPolarHBondContact O-CG 3.36Å; V325-Q329 PolarHBondContact O-N 3Å; I326-Q329 PolarHBondContact O-N 3.11Å
330	K	75.7	Confident	81.7	Confident	158 Å²	158	91.9 Å²	91.9	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-80.6	-24.7	177.1	-74.9	-179.2	179.6	-170.6	0	113.8	I326 A327 Q328	I326-K330 HydrophobicContact CG2-CD 4.33Å; I326-K330 WeakPolarHBondContact O-CG 3.35Å; I326-K330 PolarHBondContact O-N 3Å; A327-K330 PolarHBondContact O-N 3.44Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.41Å
331	N	63.6	Low	80.9	Confident	138 Å²	138	91.3 Å²	91.3	74%	0.738	49%	0.487	S	S	*	.			trans	-127.8	74.3	179.2	-71.4	-12.8	0	0	0	108.6	A327 Q328	A327-N331 PolarHBondContact O-N 3.19Å; Q328-N331 CarbonylContact O-C 3.59Å; Q328-N331 VanDerWaalsContact O-C 3.29Å; Q328-N331 PolarHBondContact O-N 3.4Å
332	P	55.7	Low	80	Confident	185 Å²	185	97.8 Å²	97.8	100%	1.201	52%	0.523	S	S	*	.			trans	-60	0	-177.5	24.8	-33.6	0	0	0	113.6

Retrieved 332 of 332 residues in 668.7 ms (Link to these results)

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