A0A3Q0KQ96_SCHMA Loading...

DUF4457 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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	29.2	Very low	35.5	Very low	164 Å²	164	141.3 Å²	141.3	81%	0.808	71%	0.71	S	S	*	*				0	150.5	0	-67.4	133.7	168.9	0	0	110.3	S406	M1-S406 WeakPolarHBondContact CE-O 3.05Å
2	K	27.3	Very low	36.6	Very low	181 Å²	181	133.4 Å²	133.4	79%	0.787	67%	0.666	S	S	*	*			trans	-154.7	27.8	-178.5	-150.6	177.1	-176	176.8	0	114.8
3	I	27.4	Very low	38	Very low	148 Å²	148	131.5 Å²	131.5	76%	0.759	65%	0.654	S	S	*	*	S	Bend	trans	-126.1	-26.8	-161.4	-71.1	172.9	0	0	0	114.6
4	I	29.6	Very low	39.4	Very low	130 Å²	130	129.6 Å²	129.6	67%	0.667	65%	0.647	S	S	*	*	S	Bend	trans	-83.5	-21.7	-170.3	-60.1	175.9	0	0	0	113.5	K6	I4-K6 PolarHBondContact O-N 3.31Å
5	V	32.2	Very low	40.1	Very low	136 Å²	136	125.9 Å²	125.9	82%	0.824	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	37.6	-174.8	-160.8	0	0	0	0	112.7
6	K	33.2	Very low	41.1	Very low	184 Å²	184	118.6 Å²	118.6	80%	0.8	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	1.2	179	-96.2	-158.2	170.6	-163	0	116.4	I4	I4-K6 PolarHBondContact O-N 3.31Å
7	E	32.9	Very low	42.5	Very low	176 Å²	176	116.4 Å²	116.4	82%	0.822	58%	0.578	S	S	*	*	S	Bend	trans	-115	5.1	179.7	-64.7	-175.1	140	0	0	113.2
8	M	32.4	Very low	43.6	Very low	142 Å²	142	116.7 Å²	116.7	70%	0.7	57%	0.573	S	S	*	*	S	Bend	trans	-104.3	-15.3	-178.6	-70.8	-168.8	170	0	0	115.9
9	D	47.7	Very low	44	Very low	103 Å²	103	111.4 Å²	111.4	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-70.9	-37.1	-171.3	-72.3	-48.9	0	0	0	114.3	N11 Y12 E13	D9-N11 PolarHBondContact O-N 2.76Å; D9-Y12 PolarHBondContact O-N 2.94Å; D9-E13 PolarHBondContact O-N 3.43Å
10	T	48.6	Very low	45	Very low	100 Å²	100	111 Å²	111	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-63.9	-42.6	-165.4	49.5	0	0	0	0	113.9	Y12 N14	T10-Y12 VanDerWaalsContact C-N 3.32Å; T10-Y12 PolarHBondContact O-N 3.42Å; T10-N14 VanDerWaalsContact O-CB 3.3Å; T10-N14 WeakPolarHBondContact O-CB 3.47Å; T10-N14 PolarHBondContact O-N 3.5Å; T10-N14 PolarHBondContact O-ND2 3.42Å
11	N	49.6	Very low	45.9	Very low	90 Å²	90	111.7 Å²	111.7	48%	0.481	55%	0.545	S	S	.	.	H	α-helix	trans	-72.1	-30	-177.3	-135.2	4.8	0	0	0	111.8	D9 Y15 Q754	D9-N11 PolarHBondContact O-N 2.76Å; N11-Y15 PolarHBondContact O-N 3.33Å; N11-Q754 PolarHBondContact ND2-OE1 3.14Å
12	Y	49	Very low	47.2	Very low	47 Å²	47	106.1 Å²	106.1	18%	0.184	52%	0.515	C	S	.	.	H	α-helix	trans	-79.9	-41.5	177.5	-165.6	-115.7	0	0	0	112.4	D9 T10 N14 Y15 L16 L737 L747	D9-Y12 PolarHBondContact O-N 2.94Å; T10-Y12 VanDerWaalsContact C-N 3.32Å; T10-Y12 PolarHBondContact O-N 3.42Å; Y12-N14 VanDerWaalsContact C-N 3.32Å; Y12-N14 PolarHBondContact O-N 2.86Å; Y12-Y15 HydrophobicContact CE2-CD1 4.43Å; Y12-Y15 WeakPolarHBondContact O-CB 3.33Å; Y12-Y15 PolarHBondContact O-N 2.8Å; Y12-L16 HydrophobicContact CD1-CD1 3.97Å; Y12-L16 HydrophobicContact CD1-CG 4.35Å; Y12-L16 HydrophobicContact CE1-CD1 3.62Å; Y12-L16 HydrophobicContact CE1-CD2 4.44Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 WeakPolarHBondContact O-CG 3.26Å; Y12-L16 PolarHBondContact O-N 3.47Å; Y12-L737 HydrophobicContact CE1-CB 4.4Å; Y12-L737 WeakPolarHBondContact OH-CB 3.42Å; Y12-L737 PolarHBondContact OH-O 3.01Å; Y12-L747 HydrophobicContact CE2-CD1 4.42Å
13	E	55	Low	48.4	Very low	109 Å²	109	99.9 Å²	99.9	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-60.8	-41.3	171	-74.3	-154.3	132.6	0	0	111.8	D9 Y15 L16 N17	D9-E13 PolarHBondContact O-N 3.43Å; E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.85Å; E13-L16 PolarHBondContact O-N 3.18Å; E13-N17 VanDerWaalsContact O-CB 3.25Å; E13-N17 WeakPolarHBondContact O-CB 3.47Å; E13-N17 VanDerWaalsContact O-CG 3.23Å; E13-N17 PolarHBondContact O-N 2.83Å; E13-N17 PolarHBondContact O-ND2 3.05Å; E13-N17 VanDerWaalsContact O-ND2 3.1Å
14	N	57.3	Low	50.3	Low	104 Å²	104	99.3 Å²	99.3	56%	0.556	48%	0.482	S	S	*	.	H	α-helix	trans	-57.7	-43.5	173.4	-77.6	-20.9	0	0	0	111.8	T10 Y12 N17 Y18	T10-N14 VanDerWaalsContact O-CB 3.3Å; T10-N14 WeakPolarHBondContact O-CB 3.47Å; T10-N14 PolarHBondContact O-N 3.5Å; T10-N14 PolarHBondContact O-ND2 3.42Å; Y12-N14 VanDerWaalsContact C-N 3.32Å; Y12-N14 PolarHBondContact O-N 2.86Å; N14-N17 PolarHBondContact O-N 3.24Å; N14-Y18 WeakPolarHBondContact O-CB 3.49Å; N14-Y18 PolarHBondContact O-N 2.9Å
15	Y	50.2	Low	51.6	Low	74 Å²	74	98 Å²	98	29%	0.29	47%	0.473	S	S	.	.	H	α-helix	trans	-65.3	-45.7	177.4	178.5	-101.8	0	0	0	112.8	N11 Y12 E13 N17 Y18 L19 I727	N11-Y15 PolarHBondContact O-N 3.33Å; Y12-Y15 HydrophobicContact CE2-CD1 4.43Å; Y12-Y15 WeakPolarHBondContact O-CB 3.33Å; Y12-Y15 PolarHBondContact O-N 2.8Å; E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.85Å; Y15-N17 VanDerWaalsContact C-N 3.34Å; Y15-N17 PolarHBondContact O-N 2.91Å; Y15-Y18 WeakPolarHBondContact O-CB 3.33Å; Y15-Y18 PolarHBondContact O-N 3.5Å; Y15-L19 HydrophobicContact CD1-CD1 4.31Å; Y15-L19 HydrophobicContact CE1-CD1 3.56Å; Y15-L19 HydrophobicContact CE1-CG 4.14Å; Y15-L19 HydrophobicContact CE2-CG 4.47Å; Y15-L19 PolarHBondContact O-N 2.93Å; Y15-I727 WeakPolarHBondContact OH-CD1 3.44Å
16	L	56.4	Low	52.5	Low	9 Å²	9	94.2 Å²	94.2	5%	0.047	44%	0.444	C	S	.	.	H	α-helix	trans	-65.5	-36.7	176.3	-67	-178.1	0	0	0	112.3	Y12 E13 L19 K20 L737	Y12-L16 HydrophobicContact CD1-CD1 3.97Å; Y12-L16 HydrophobicContact CD1-CG 4.35Å; Y12-L16 HydrophobicContact CE1-CD1 3.62Å; Y12-L16 HydrophobicContact CE1-CD2 4.44Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 WeakPolarHBondContact O-CG 3.26Å; Y12-L16 PolarHBondContact O-N 3.47Å; E13-L16 PolarHBondContact O-N 3.18Å; L16-L19 PolarHBondContact O-N 3.46Å; L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.21Å; L16-K20 PolarHBondContact O-N 3.43Å; L16-L737 HydrophobicContact CD1-CD1 3.96Å; L16-L737 HydrophobicContact CD2-CD1 3.86Å; L16-L737 HydrophobicContact CD2-CD2 4.01Å; L16-L737 HydrophobicContact CD2-CG 4.46Å
17	N	64.8	Low	53.4	Low	81 Å²	81	91.5 Å²	91.5	43%	0.433	43%	0.434	S	S	.	.	H	α-helix	trans	-69	-38.5	174.8	-73.5	-33.3	0	0	0	111.8	E13 N14 Y15 K20 Q21	E13-N17 VanDerWaalsContact O-CB 3.25Å; E13-N17 WeakPolarHBondContact O-CB 3.47Å; E13-N17 VanDerWaalsContact O-CG 3.23Å; E13-N17 PolarHBondContact O-N 2.83Å; E13-N17 PolarHBondContact O-ND2 3.05Å; E13-N17 VanDerWaalsContact O-ND2 3.1Å; N14-N17 PolarHBondContact O-N 3.24Å; Y15-N17 VanDerWaalsContact C-N 3.34Å; Y15-N17 PolarHBondContact O-N 2.91Å; N17-K20 PolarHBondContact O-N 3.44Å; N17-Q21 VanDerWaalsContact O-CB 3.29Å; N17-Q21 WeakPolarHBondContact O-CB 3.3Å; N17-Q21 PolarHBondContact O-N 3.28Å
18	Y	62.8	Low	54.5	Low	122 Å²	122	88.1 Å²	88.1	48%	0.478	42%	0.421	S	S	.	.	H	α-helix	trans	-58.3	-48.2	170.6	172.2	-94.7	0	0	0	111.6	N14 Y15 K20 Q21 R22	N14-Y18 WeakPolarHBondContact O-CB 3.49Å; N14-Y18 PolarHBondContact O-N 2.9Å; Y15-Y18 WeakPolarHBondContact O-CB 3.33Å; Y15-Y18 PolarHBondContact O-N 3.5Å; Y18-K20 PolarHBondContact O-N 3.19Å; Y18-Q21 PolarHBondContact O-N 3.16Å; Y18-R22 WeakPolarHBondContact O-CB 3.37Å; Y18-R22 PolarHBondContact O-N 3.11Å; Y18-R22 PolarHBondContact OH-NH1 3.09Å
19	L	50.5	Low	55.2	Low	17 Å²	17	87.3 Å²	87.3	9%	0.089	42%	0.419	C	S	.	.	H	α-helix	trans	-60.8	-45.6	176.5	-70.4	-176.4	0	0	0	112.3	Y15 L16 Q21 R22 N23 I727 L729	Y15-L19 HydrophobicContact CD1-CD1 4.31Å; Y15-L19 HydrophobicContact CE1-CD1 3.56Å; Y15-L19 HydrophobicContact CE1-CG 4.14Å; Y15-L19 HydrophobicContact CE2-CG 4.47Å; Y15-L19 PolarHBondContact O-N 2.93Å; L16-L19 PolarHBondContact O-N 3.46Å; L19-Q21 PolarHBondContact O-N 3.11Å; L19-R22 PolarHBondContact O-N 3.21Å; L19-N23 WeakPolarHBondContact O-CB 3.35Å; L19-N23 PolarHBondContact O-N 3.2Å; L19-I727 HydrophobicContact CD1-CG2 4.27Å; L19-L729 HydrophobicContact CD1-CD2 4.23Å
20	K	64.1	Low	55.3	Low	103 Å²	103	88.9 Å²	88.9	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.4	-73.1	166.6	-176.6	171.8	0	111.6	L16 N17 Y18 K24	L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.21Å; L16-K20 PolarHBondContact O-N 3.43Å; N17-K20 PolarHBondContact O-N 3.44Å; Y18-K20 PolarHBondContact O-N 3.19Å; K20-K24 WeakPolarHBondContact O-CB 3.3Å; K20-K24 PolarHBondContact O-N 3.19Å
21	Q	64	Low	55.4	Low	126 Å²	126	91.4 Å²	91.4	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-68.9	-39.1	179	-171.5	170.2	4.8	0	0	112.3	N17 Y18 L19 K24 Q25	N17-Q21 VanDerWaalsContact O-CB 3.29Å; N17-Q21 WeakPolarHBondContact O-CB 3.3Å; N17-Q21 PolarHBondContact O-N 3.28Å; Y18-Q21 PolarHBondContact O-N 3.16Å; L19-Q21 PolarHBondContact O-N 3.11Å; Q21-K24 PolarHBondContact O-N 2.74Å; Q21-Q25 WeakPolarHBondContact O-CB 3.5Å; Q21-Q25 WeakPolarHBondContact O-CG 3.32Å; Q21-Q25 PolarHBondContact O-N 3.33Å
22	R	55.4	Low	55.9	Low	47 Å²	47	92.1 Å²	92.1	18%	0.177	43%	0.427	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175.7	179.1	176.9	167	113.4	5.4	112.4	Y18 L19 Q25 R26 N715 E726	Y18-R22 WeakPolarHBondContact O-CB 3.37Å; Y18-R22 PolarHBondContact O-N 3.11Å; Y18-R22 PolarHBondContact OH-NH1 3.09Å; L19-R22 PolarHBondContact O-N 3.21Å; R22-Q25 WeakPolarHBondContact O-CB 3.46Å; R22-Q25 PolarHBondContact O-N 2.68Å; R22-R26 PolarHBondContact O-N 3.18Å; R22-N715 VanDerWaalsContact NH2-CG 3.31Å; R22-N715 PolarHBondContact NH2-ND2 2.81Å; R22-N715 VanDerWaalsContact NH2-ND2 3.18Å; R22-N715 PolarHBondContact NH2-OD1 2.81Å; R22-E726 IonicContact CZ-OE2 2.61Å; R22-E726 IonicContact NH2-OE1 3.37Å; R22-E726 IonicContact NH2-OE2 2.7Å; R22-E726 PolarHBondContact NH2-OE2 3.18Å
23	N	54.4	Low	56.7	Low	49 Å²	49	93.3 Å²	93.3	26%	0.262	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-43.4	173.6	-76.5	-10.2	0	0	0	111.5	L19 Q25 R26 E27	L19-N23 WeakPolarHBondContact O-CB 3.35Å; L19-N23 PolarHBondContact O-N 3.2Å; N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 3.06Å; N23-R26 WeakPolarHBondContact O-CA 3.34Å; N23-R26 WeakPolarHBondContact O-CB 3.38Å; N23-R26 PolarHBondContact O-N 3.48Å; N23-E27 PolarHBondContact O-N 2.87Å
24	K	65.6	Low	57.1	Low	136 Å²	136	96.6 Å²	96.6	59%	0.591	45%	0.454	S	S	*	.	H	α-helix	trans	-61.7	-35.2	172.4	-172.8	173.5	-178.5	176.4	0	112.9	K20 Q21 E27 L28	K20-K24 WeakPolarHBondContact O-CB 3.3Å; K20-K24 PolarHBondContact O-N 3.19Å; Q21-K24 PolarHBondContact O-N 2.74Å; K24-E27 PolarHBondContact O-N 3.06Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 2.88Å; K24-L28 VanDerWaalsContact O-N 3.15Å
25	Q	56.6	Low	57.7	Low	104 Å²	104	98 Å²	98	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-39.3	171.1	-78.7	174.1	-22	0	0	111.9	Q21 R22 N23 L28 L29	Q21-Q25 WeakPolarHBondContact O-CB 3.5Å; Q21-Q25 WeakPolarHBondContact O-CG 3.32Å; Q21-Q25 PolarHBondContact O-N 3.33Å; R22-Q25 WeakPolarHBondContact O-CB 3.46Å; R22-Q25 PolarHBondContact O-N 2.68Å; N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 3.06Å; Q25-L28 PolarHBondContact O-N 2.97Å; Q25-L29 WeakPolarHBondContact O-CB 3.43Å; Q25-L29 WeakPolarHBondContact O-CD1 3.46Å; Q25-L29 WeakPolarHBondContact O-CG 3.43Å; Q25-L29 PolarHBondContact O-N 3.18Å
26	R	52.3	Low	58.5	Low	55 Å²	55	97.3 Å²	97.3	21%	0.208	46%	0.459	C	S	.	.	H	α-helix	trans	-62	-42.7	173.5	-80.4	-178.6	166	143.2	-4	112.7	R22 N23 L28 L29 Q30 E713 E726	R22-R26 PolarHBondContact O-N 3.18Å; N23-R26 WeakPolarHBondContact O-CA 3.34Å; N23-R26 WeakPolarHBondContact O-CB 3.38Å; N23-R26 PolarHBondContact O-N 3.48Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.77Å; R26-L29 PolarHBondContact O-N 2.51Å; R26-Q30 WeakPolarHBondContact O-CG 3.37Å; R26-Q30 PolarHBondContact O-N 3.24Å; R26-E713 PolarHBondContact NH2-O 3.29Å; R26-E726 IonicContact CZ-OE1 2.71Å; R26-E726 IonicContact NH1-OE1 3.45Å; R26-E726 PolarHBondContact NH1-OE1 2.98Å; R26-E726 IonicContact NH2-OE1 3.29Å; R26-E726 PolarHBondContact NH2-OE1 3.22Å; R26-E726 IonicContact NH2-OE2 2.93Å
27	E	53	Low	59	Low	127 Å²	127	100.9 Å²	100.9	59%	0.593	48%	0.477	S	S	*	.	H	α-helix	trans	-58.7	-43.4	175	-67.7	172.3	162.4	0	0	111.7	N23 K24 Q30	N23-E27 PolarHBondContact O-N 2.87Å; K24-E27 PolarHBondContact O-N 3.06Å; E27-Q30 PolarHBondContact O-N 3.28Å
28	L	55.3	Low	59.1	Low	105 Å²	105	102.8 Å²	102.8	55%	0.55	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-40.5	176.1	-67.8	168	0	0	0	112.5	K24 Q25 R26 Q30 Q31	K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 2.88Å; K24-L28 VanDerWaalsContact O-N 3.15Å; Q25-L28 PolarHBondContact O-N 2.97Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.77Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 2.87Å; L28-Q31 WeakPolarHBondContact O-CB 3.38Å; L28-Q31 PolarHBondContact O-N 3.1Å
29	L	47.1	Very low	59.6	Low	126 Å²	126	101.9 Å²	101.9	66%	0.66	48%	0.484	S	S	*	.	H	α-helix	trans	-69.4	-20	178.2	-73.1	166.2	0	0	0	113.6	Q25 R26 Q31	Q25-L29 WeakPolarHBondContact O-CB 3.43Å; Q25-L29 WeakPolarHBondContact O-CD1 3.46Å; Q25-L29 WeakPolarHBondContact O-CG 3.43Å; Q25-L29 PolarHBondContact O-N 3.18Å; R26-L29 PolarHBondContact O-N 2.51Å; L29-Q31 VanDerWaalsContact C-N 3.34Å
30	Q	49.9	Very low	60.5	Low	136 Å²	136	103.5 Å²	103.5	64%	0.636	49%	0.491	S	S	*	.	H	α-helix	trans	-74	-25.5	169.2	-72.7	174.8	20.1	0	0	112.1	R26 E27 L28 K32	R26-Q30 WeakPolarHBondContact O-CG 3.37Å; R26-Q30 PolarHBondContact O-N 3.24Å; E27-Q30 PolarHBondContact O-N 3.28Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 2.87Å; Q30-K32 PolarHBondContact O-N 3.42Å
31	Q	49.7	Very low	60.7	Low	153 Å²	153	108 Å²	108	72%	0.715	51%	0.505	S	S	*	.	S	Bend	trans	-83.2	61.5	172.9	-60.5	-173.9	10.8	0	0	111.4	L28 L29 T33	L28-Q31 WeakPolarHBondContact O-CB 3.38Å; L28-Q31 PolarHBondContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-T33 PolarHBondContact O-N 2.95Å
32	K	60	Low	61.2	Low	105 Å²	105	107.4 Å²	107.4	46%	0.457	51%	0.505	S	S	.	.			trans	-58.8	130.9	177.4	-68.4	-176	173.9	178.9	0	111.4	Q30 D36 L37 E40	Q30-K32 PolarHBondContact O-N 3.42Å; K32-D36 HydrophobicContact CB-CB 4.3Å; K32-L37 HydrophobicContact CB-CD2 4.4Å; K32-L37 HydrophobicContact CB-CG 4.21Å; K32-L37 HydrophobicContact CD-CD2 4.31Å; K32-E40 IonicContact NZ-OE2 3.57Å; K32-E40 PolarHBondContact NZ-OE2 3.27Å
33	T	67.2	Low	62	Low	72 Å²	72	111.7 Å²	111.7	44%	0.442	53%	0.527	S	S	.	.			trans	-73.5	167.1	173.4	71.9	0	0	0	0	111.1	Q31 E35 D36 L37	Q31-T33 PolarHBondContact O-N 2.95Å; T33-E35 PolarHBondContact O-N 3.48Å; T33-E35 PolarHBondContact OG1-N 2.81Å; T33-D36 WeakPolarHBondContact CB-OD2 3.19Å; T33-D36 PolarHBondContact N-OD2 3.28Å; T33-D36 PolarHBondContact O-N 2.82Å; T33-D36 VanDerWaalsContact O-N 3.14Å; T33-D36 PolarHBondContact OG1-N 2.92Å; T33-D36 PolarHBondContact OG1-OD2 2.84Å; T33-L37 PolarHBondContact O-N 3.42Å
34	E	63.3	Low	62.6	Low	177 Å²	177	115.6 Å²	115.6	83%	0.827	54%	0.542	S	S	*	.	H	α-helix	trans	-63	-31.1	175.7	-168.1	163.1	-151.6	0	0	112.2	M38	E34-M38 PolarHBondContact O-N 3.47Å
35	E	68.7	Low	62.7	Low	133 Å²	133	111 Å²	111	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-66.6	-40.1	171.6	-66.3	-167.9	-176.5	0	0	112.7	T33 M38 K39	T33-E35 PolarHBondContact O-N 3.48Å; T33-E35 PolarHBondContact OG1-N 2.81Å; E35-M38 WeakPolarHBondContact O-CB 3.18Å; E35-M38 PolarHBondContact O-N 2.86Å; E35-M38 VanDerWaalsContact O-N 3.15Å; E35-K39 WeakPolarHBondContact O-CG 3.4Å; E35-K39 PolarHBondContact O-N 2.91Å; E35-K39 IonicContact OE2-NZ 2.65Å
36	D	67.4	Low	63.3	Low	61 Å²	61	112.5 Å²	112.5	33%	0.326	54%	0.539	S	S	.	.	H	α-helix	trans	-68.9	-38.8	179.8	-56.1	-45.4	0	0	0	110.9	K32 T33 M38 K39 E40	K32-D36 HydrophobicContact CB-CB 4.3Å; T33-D36 WeakPolarHBondContact CB-OD2 3.19Å; T33-D36 PolarHBondContact N-OD2 3.28Å; T33-D36 PolarHBondContact O-N 2.82Å; T33-D36 VanDerWaalsContact O-N 3.14Å; T33-D36 PolarHBondContact OG1-N 2.92Å; T33-D36 PolarHBondContact OG1-OD2 2.84Å; D36-M38 VanDerWaalsContact C-N 3.27Å; D36-M38 PolarHBondContact O-N 3.16Å; D36-K39 PolarHBondContact O-N 2.7Å; D36-K39 IonicContact OD1-NZ 2.58Å; D36-E40 WeakPolarHBondContact O-CB 3.47Å; D36-E40 PolarHBondContact O-N 2.84Å
37	L	66.9	Low	63.9	Low	83 Å²	83	115.3 Å²	115.3	44%	0.435	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-32.3	170.4	-70.1	169.6	0	0	0	112.2	K32 T33 R41	K32-L37 HydrophobicContact CB-CD2 4.4Å; K32-L37 HydrophobicContact CB-CG 4.21Å; K32-L37 HydrophobicContact CD-CD2 4.31Å; T33-L37 PolarHBondContact O-N 3.42Å; L37-R41 WeakPolarHBondContact O-CB 3.4Å; L37-R41 WeakPolarHBondContact O-CD 3.33Å; L37-R41 VanDerWaalsContact O-CG 3.24Å; L37-R41 WeakPolarHBondContact O-CG 3.34Å; L37-R41 PolarHBondContact O-N 2.81Å
38	M	67.5	Low	64.5	Low	122 Å²	122	115.6 Å²	115.6	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-71.9	-43.8	173.4	-165.7	-179	-171.9	0	0	112	E34 E35 D36 R41 L42	E34-M38 PolarHBondContact O-N 3.47Å; E35-M38 WeakPolarHBondContact O-CB 3.18Å; E35-M38 PolarHBondContact O-N 2.86Å; E35-M38 VanDerWaalsContact O-N 3.15Å; D36-M38 VanDerWaalsContact C-N 3.27Å; D36-M38 PolarHBondContact O-N 3.16Å; M38-R41 WeakPolarHBondContact O-CB 3.29Å; M38-R41 PolarHBondContact O-N 2.84Å; M38-L42 HydrophobicContact CG-CD1 4.46Å; M38-L42 WeakPolarHBondContact O-CG 3.3Å; M38-L42 PolarHBondContact O-N 3.23Å
39	K	73.2	Confident	65.2	Low	102 Å²	102	118.8 Å²	118.8	44%	0.443	57%	0.565	S	S	.	*	H	α-helix	trans	-59.4	-47.6	174.4	-69.8	164.8	-164.8	150.5	0	111	E35 D36 R41 L42 E43	E35-K39 WeakPolarHBondContact O-CG 3.4Å; E35-K39 PolarHBondContact O-N 2.91Å; E35-K39 IonicContact OE2-NZ 2.65Å; D36-K39 PolarHBondContact O-N 2.7Å; D36-K39 IonicContact OD1-NZ 2.58Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 2.86Å; K39-L42 WeakPolarHBondContact O-CB 3.42Å; K39-L42 PolarHBondContact O-N 2.86Å; K39-E43 WeakPolarHBondContact O-CG 3.3Å; K39-E43 PolarHBondContact O-N 2.81Å
40	E	69.1	Low	66.1	Low	51 Å²	51	118.2 Å²	118.2	24%	0.238	56%	0.558	C	S	.	*	H	α-helix	trans	-62.5	-34.7	178.4	-169	-174.6	148.7	0	0	112.4	K32 D36 K44	K32-E40 IonicContact NZ-OE2 3.57Å; K32-E40 PolarHBondContact NZ-OE2 3.27Å; D36-E40 WeakPolarHBondContact O-CB 3.47Å; D36-E40 PolarHBondContact O-N 2.84Å; E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 WeakPolarHBondContact O-CB 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.29Å; E40-K44 PolarHBondContact O-N 2.82Å; E40-K44 WeakPolarHBondContact OE1-CE 3.47Å; E40-K44 IonicContact OE1-NZ 3.51Å; E40-K44 PolarHBondContact OE1-NZ 3.31Å
41	R	68.9	Low	66.8	Low	197 Å²	197	116 Å²	116	74%	0.743	55%	0.55	S	S	*	*	H	α-helix	trans	-66.1	-42	171.7	-78.2	169.8	172.8	176.2	-1.1	112.1	L37 M38 K39 G45	L37-R41 WeakPolarHBondContact O-CB 3.4Å; L37-R41 WeakPolarHBondContact O-CD 3.33Å; L37-R41 VanDerWaalsContact O-CG 3.24Å; L37-R41 WeakPolarHBondContact O-CG 3.34Å; L37-R41 PolarHBondContact O-N 2.81Å; M38-R41 WeakPolarHBondContact O-CB 3.29Å; M38-R41 PolarHBondContact O-N 2.84Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 2.86Å; R41-G45 PolarHBondContact O-N 2.89Å
42	L	73.6	Confident	67.5	Low	115 Å²	115	111.6 Å²	111.6	60%	0.602	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-43.9	177	-71.4	167.2	0	0	0	111.7	M38 K39 G45 F46	M38-L42 HydrophobicContact CG-CD1 4.46Å; M38-L42 WeakPolarHBondContact O-CG 3.3Å; M38-L42 PolarHBondContact O-N 3.23Å; K39-L42 WeakPolarHBondContact O-CB 3.42Å; K39-L42 PolarHBondContact O-N 2.86Å; L42-G45 PolarHBondContact O-N 3.11Å; L42-F46 WeakPolarHBondContact O-CB 3.24Å; L42-F46 PolarHBondContact O-N 3.05Å
43	E	71.9	Confident	67.5	Low	136 Å²	136	108.6 Å²	108.6	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-61.8	-44.7	175.2	-72.8	-177.6	164.1	0	0	111.8	K39 G45 F46 Q47	K39-E43 WeakPolarHBondContact O-CG 3.3Å; K39-E43 PolarHBondContact O-N 2.81Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 2.87Å; E43-F46 PolarHBondContact O-N 3.16Å; E43-Q47 WeakPolarHBondContact O-CB 3.47Å; E43-Q47 PolarHBondContact O-N 2.96Å
44	K	67.5	Low	67.3	Low	131 Å²	131	107.8 Å²	107.8	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-39.3	174.5	-75.4	172.8	-176.4	175.2	0	112.2	E40 L48	E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 WeakPolarHBondContact O-CB 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.29Å; E40-K44 PolarHBondContact O-N 2.82Å; E40-K44 WeakPolarHBondContact OE1-CE 3.47Å; E40-K44 IonicContact OE1-NZ 3.51Å; E40-K44 PolarHBondContact OE1-NZ 3.31Å; K44-L48 WeakPolarHBondContact O-CB 3.14Å; K44-L48 PolarHBondContact O-N 2.85Å
45	G	67.6	Low	67.3	Low	41 Å²	41	106.4 Å²	106.4	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-44.6	172.7	0	0	0	0	0	112.9	R41 L42 E43 L48 Y49	R41-G45 PolarHBondContact O-N 2.89Å; L42-G45 PolarHBondContact O-N 3.11Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 2.87Å; G45-L48 WeakPolarHBondContact O-CB 3.22Å; G45-L48 PolarHBondContact O-N 2.78Å; G45-Y49 PolarHBondContact O-N 2.82Å
46	F	70.1	Confident	66.9	Low	135 Å²	135	106.9 Å²	106.9	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-42.6	177.3	-172.5	-93	0	0	0	112.1	L42 E43 L48 Y49 F50	L42-F46 WeakPolarHBondContact O-CB 3.24Å; L42-F46 PolarHBondContact O-N 3.05Å; E43-F46 PolarHBondContact O-N 3.16Å; F46-L48 VanDerWaalsContact C-N 3.31Å; F46-L48 PolarHBondContact O-N 2.91Å; F46-Y49 PolarHBondContact O-N 3.4Å; F46-F50 WeakPolarHBondContact O-CB 3.48Å; F46-F50 PolarHBondContact O-N 2.76Å
47	Q	64.9	Low	66.6	Low	113 Å²	113	109.9 Å²	109.9	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-39.6	175.8	-161.1	72.6	-7.4	0	0	111.3	E43 N51	E43-Q47 WeakPolarHBondContact O-CB 3.47Å; E43-Q47 PolarHBondContact O-N 2.96Å; Q47-N51 VanDerWaalsContact O-CB 3.27Å; Q47-N51 WeakPolarHBondContact O-CB 3.11Å; Q47-N51 PolarHBondContact O-N 2.85Å; Q47-N51 PolarHBondContact O-ND2 3.13Å
48	L	65.4	Low	65.8	Low	133 Å²	133	112.5 Å²	112.5	70%	0.696	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-46	175	-155.8	80.3	0	0	0	111.5	K44 G45 F46 N51 A52	K44-L48 WeakPolarHBondContact O-CB 3.14Å; K44-L48 PolarHBondContact O-N 2.85Å; G45-L48 WeakPolarHBondContact O-CB 3.22Å; G45-L48 PolarHBondContact O-N 2.78Å; F46-L48 VanDerWaalsContact C-N 3.31Å; F46-L48 PolarHBondContact O-N 2.91Å; L48-N51 PolarHBondContact O-N 2.96Å; L48-A52 WeakPolarHBondContact O-CB 3.46Å; L48-A52 PolarHBondContact O-N 2.81Å
49	Y	70.2	Confident	65.2	Low	172 Å²	172	111.6 Å²	111.6	68%	0.675	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-46.3	176.7	178.6	-98.1	0	0	0	112.2	G45 F46 N51 A52 A53	G45-Y49 PolarHBondContact O-N 2.82Å; F46-Y49 PolarHBondContact O-N 3.4Å; Y49-N51 PolarHBondContact O-N 3.27Å; Y49-A52 PolarHBondContact O-N 2.91Å; Y49-A53 WeakPolarHBondContact O-CB 3.3Å; Y49-A53 PolarHBondContact O-N 2.89Å
50	F	66.2	Low	64.1	Low	115 Å²	115	112.9 Å²	112.9	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-41.8	178.7	-169.1	-89.6	0	0	0	111.8	F46 A53 T54	F46-F50 WeakPolarHBondContact O-CB 3.48Å; F46-F50 PolarHBondContact O-N 2.76Å; F50-A53 PolarHBondContact O-N 3.48Å; F50-T54 WeakPolarHBondContact O-CB 3.24Å; F50-T54 PolarHBondContact O-N 2.8Å; F50-T54 PolarHBondContact O-OG1 3.21Å
51	N	63.1	Low	63	Low	90 Å²	90	114.3 Å²	114.3	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-65.7	-40.2	175.4	-74.7	-21.2	0	0	0	112.2	Q47 L48 Y49 T54 K55	Q47-N51 VanDerWaalsContact O-CB 3.27Å; Q47-N51 WeakPolarHBondContact O-CB 3.11Å; Q47-N51 PolarHBondContact O-N 2.85Å; Q47-N51 PolarHBondContact O-ND2 3.13Å; L48-N51 PolarHBondContact O-N 2.96Å; Y49-N51 PolarHBondContact O-N 3.27Å; N51-T54 PolarHBondContact O-N 3.32Å; N51-K55 WeakPolarHBondContact O-CB 2.99Å; N51-K55 PolarHBondContact O-N 2.86Å
52	A	64.6	Low	61.6	Low	60 Å²	60	114.4 Å²	114.4	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-47.2	175.1	0	0	0	0	0	111.9	L48 Y49 T54 K55 Y56	L48-A52 WeakPolarHBondContact O-CB 3.46Å; L48-A52 PolarHBondContact O-N 2.81Å; Y49-A52 PolarHBondContact O-N 2.91Å; A52-T54 VanDerWaalsContact C-N 3.35Å; A52-T54 PolarHBondContact O-N 2.74Å; A52-K55 PolarHBondContact O-N 2.85Å; A52-Y56 PolarHBondContact O-N 3Å
53	A	59.6	Low	59.7	Low	41 Å²	41	115.4 Å²	115.4	34%	0.339	56%	0.563	S	S	.	*	H	α-helix	trans	-60.6	-42.5	175	0	0	0	0	0	112.1	Y49 F50 K55 Y56 L57	Y49-A53 WeakPolarHBondContact O-CB 3.3Å; Y49-A53 PolarHBondContact O-N 2.89Å; F50-A53 PolarHBondContact O-N 3.48Å; A53-K55 PolarHBondContact O-N 3.19Å; A53-Y56 PolarHBondContact O-N 2.81Å; A53-L57 WeakPolarHBondContact O-CG 3.07Å; A53-L57 PolarHBondContact O-N 3.05Å
54	T	63	Low	58	Low	56 Å²	56	116.8 Å²	116.8	34%	0.344	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-38.1	177.5	-55.5	0	0	0	0	112.1	F50 N51 A52 L57 K58	F50-T54 WeakPolarHBondContact O-CB 3.24Å; F50-T54 PolarHBondContact O-N 2.8Å; F50-T54 PolarHBondContact O-OG1 3.21Å; N51-T54 PolarHBondContact O-N 3.32Å; A52-T54 VanDerWaalsContact C-N 3.35Å; A52-T54 PolarHBondContact O-N 2.74Å; T54-L57 PolarHBondContact O-N 2.84Å; T54-K58 PolarHBondContact O-N 3.5Å
55	K	63	Low	56.3	Low	147 Å²	147	121 Å²	121	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-66.1	-42.9	174.2	-171	175.6	-178.1	178.5	0	111.7	N51 A52 A53 L57 K58 N59	N51-K55 WeakPolarHBondContact O-CB 2.99Å; N51-K55 PolarHBondContact O-N 2.86Å; A52-K55 PolarHBondContact O-N 2.85Å; A53-K55 PolarHBondContact O-N 3.19Å; K55-L57 PolarHBondContact O-N 2.94Å; K55-K58 PolarHBondContact O-N 2.73Å; K55-N59 PolarHBondContact O-N 2.88Å; K55-N59 PolarHBondContact O-OD1 2.77Å
56	Y	61.4	Low	54.5	Low	144 Å²	144	125.3 Å²	125.3	57%	0.565	60%	0.601	S	S	*	*	H	α-helix	trans	-61.4	-42.1	175.8	-174.6	-96.9	0	0	0	112.3	A52 A53 N59 K60	A52-Y56 PolarHBondContact O-N 3Å; A53-Y56 PolarHBondContact O-N 2.81Å; Y56-N59 PolarHBondContact O-N 3.05Å; Y56-K60 HydrophobicContact CE1-CD 4.02Å; Y56-K60 PolarHBondContact O-N 2.99Å; Y56-K60 VanDerWaalsContact OH-CE 3.31Å; Y56-K60 WeakPolarHBondContact OH-CE 3.45Å; Y56-K60 PolarHBondContact OH-NZ 3Å; Y56-K60 VanDerWaalsContact OH-NZ 3.12Å
57	L	60.2	Low	52.8	Low	124 Å²	124	124.9 Å²	124.9	65%	0.649	61%	0.61	S	S	*	*	H	α-helix	trans	-64.2	-42.2	174.8	-73.6	169	0	0	0	112.5	A53 T54 K55 K60 S61	A53-L57 WeakPolarHBondContact O-CG 3.07Å; A53-L57 PolarHBondContact O-N 3.05Å; T54-L57 PolarHBondContact O-N 2.84Å; K55-L57 PolarHBondContact O-N 2.94Å; L57-K60 PolarHBondContact O-N 3.38Å; L57-S61 PolarHBondContact O-N 3.49Å
58	K	51.7	Low	51.1	Low	138 Å²	138	126.7 Å²	126.7	60%	0.6	62%	0.623	S	S	*	*	H	α-helix	trans	-60.4	-46.3	174.5	-87.4	-170.9	170.9	-173.1	0	112.1	T54 K55 K60 S61 Y62	T54-K58 PolarHBondContact O-N 3.5Å; K55-K58 PolarHBondContact O-N 2.73Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.06Å; K58-S61 PolarHBondContact O-N 2.65Å; K58-S61 PolarHBondContact O-OG 2.97Å; K58-Y62 WeakPolarHBondContact O-CD2 3.34Å
59	N	54.5	Low	49.6	Very low	103 Å²	103	126.8 Å²	126.8	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-58.9	-42.6	179.8	-75.1	25	0	0	0	111.9	K55 Y56 S61 Y62	K55-N59 PolarHBondContact O-N 2.88Å; K55-N59 PolarHBondContact O-OD1 2.77Å; Y56-N59 PolarHBondContact O-N 3.05Å; N59-S61 PolarHBondContact O-N 3.06Å; N59-Y62 PolarHBondContact O-N 2.78Å
60	K	50.1	Low	47.9	Very low	129 Å²	129	126.2 Å²	126.2	56%	0.561	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	175.5	-82.6	-167.4	167.5	-178.8	0	115.5	Y56 L57 K58	Y56-K60 HydrophobicContact CE1-CD 4.02Å; Y56-K60 PolarHBondContact O-N 2.99Å; Y56-K60 VanDerWaalsContact OH-CE 3.31Å; Y56-K60 WeakPolarHBondContact OH-CE 3.45Å; Y56-K60 PolarHBondContact OH-NZ 3Å; Y56-K60 VanDerWaalsContact OH-NZ 3.12Å; L57-K60 PolarHBondContact O-N 3.38Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.06Å
61	S	44.8	Very low	46.4	Very low	80 Å²	80	128.5 Å²	128.5	56%	0.559	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	1.4	176.3	59.7	0	0	0	0	114.9	L57 K58 N59	L57-S61 PolarHBondContact O-N 3.49Å; K58-S61 PolarHBondContact O-N 2.65Å; K58-S61 PolarHBondContact O-OG 2.97Å; N59-S61 PolarHBondContact O-N 3.06Å
62	Y	39.4	Very low	45	Very low	200 Å²	200	133.5 Å²	133.5	78%	0.784	66%	0.663	S	S	*	*	S	Bend	trans	-114.6	4.3	176.4	-73	-76.5	0	0	0	114.2	K58 N59	K58-Y62 WeakPolarHBondContact O-CD2 3.34Å; N59-Y62 PolarHBondContact O-N 2.78Å
63	E	35.1	Very low	43.4	Very low	135 Å²	135	135.5 Å²	135.5	63%	0.631	67%	0.673	S	S	*	*	S	Bend	trans	-105.9	134.6	172.7	-66.1	179.3	154.1	0	0	109.6
64	H	35.1	Very low	42.1	Very low	165 Å²	165	140.1 Å²	140.1	76%	0.764	69%	0.692	S	S	*	*			trans	68.5	137.3	-161.8	-40	-68	0	0	0	112.8
65	Y	32.3	Very low	40.5	Very low	221 Å²	221	143 Å²	143	87%	0.867	71%	0.709	S	S	*	*			cis	-134.9	141.2	27.7	-63.5	-102.4	0	0	0	113.7
66	T	29.4	Very low	38.9	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	72%	0.715	S	S	*	*			trans	-137.5	166.5	147.1	49.1	0	0	0	0	108.9
67	T	34.1	Very low	37.5	Very low	126 Å²	126	143.7 Å²	143.7	77%	0.773	73%	0.728	S	S	*	*			trans	65.8	86.8	178.3	71.8	0	0	0	0	118.7
68	N	30.6	Very low	36.1	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	74%	0.739	S	S	*	*				50.3	148.6	119.8	-63.7	3.2	0	0	0	124
69	N	33.3	Very low	35	Very low	135 Å²	135	146 Å²	146	72%	0.722	75%	0.752	S	S	*	*			trans	89	107.5	154.2	-65.1	-11.7	0	0	0	120.5
70	H	35.2	Very low	33.7	Very low	161 Å²	161	150.8 Å²	150.8	75%	0.745	77%	0.768	S	S	*	*			trans	34.9	109.5	132.5	-61.3	-84.8	0	0	0	119.4
71	N	34.5	Very low	32.7	Very low	162 Å²	162	154.5 Å²	154.5	87%	0.866	78%	0.784	S	S	*	*				-166.4	166.5	91.6	-101.3	-46.9	0	0	0	114.1
72	K	32.8	Very low	31.9	Very low	196 Å²	196	158.9 Å²	158.9	85%	0.852	80%	0.8	S	S	*	*			trans	-89	137.8	178.9	-65.1	173.2	177.9	174.3	0	111.4
73	S	31.9	Very low	31.3	Very low	102 Å²	102	158.7 Å²	158.7	71%	0.713	80%	0.803	S	S	*	*				153.2	159.2	126.3	58.1	0	0	0	0	112.9
74	N	31.9	Very low	30.9	Very low	137 Å²	137	164.1 Å²	164.1	73%	0.733	82%	0.818	S	S	*	*			trans	50.8	83.5	161.8	-56.8	-11.1	0	0	0	117.2
75	T	29.9	Very low	30.5	Very low	116 Å²	116	164.9 Å²	164.9	71%	0.712	82%	0.819	S	S	*	*				70.2	123.1	84	63.3	0	0	0	0	116.9
76	N	29.8	Very low	30.2	Very low	143 Å²	143	160 Å²	160	77%	0.765	82%	0.816	S	S	*	*			trans	82.4	143	153	-61.7	-28.8	0	0	0	121.1
77	I	32	Very low	30.3	Very low	164 Å²	164	165.4 Å²	165.4	84%	0.841	82%	0.822	S	S	*	*	S	Bend	trans	69.1	81.8	164.3	-51.1	142.8	0	0	0	116.3
78	L	28.9	Very low	29.9	Very low	168 Å²	168	162.3 Å²	162.3	88%	0.88	82%	0.815	S	S	*	*	S	Bend	trans	-162.7	-32.1	142.3	-111.6	156.1	0	0	0	112.8	K80	L78-K80 PolarHBondContact O-N 2.97Å
79	T	29.5	Very low	29.7	Very low	143 Å²	143	162.6 Å²	162.6	88%	0.877	82%	0.817	S	S	*	*	S	Bend	trans	-98.4	43.2	-171.8	49.4	0	0	0	0	115.2
80	K	27.4	Very low	29.4	Very low	203 Å²	203	163.5 Å²	163.5	88%	0.883	82%	0.82	S	S	*	*			trans	-154.8	49.3	-177	-125.6	170.1	-168.9	175.7	0	116.7	L78	L78-K80 PolarHBondContact O-N 2.97Å
81	K	28	Very low	28.9	Very low	207 Å²	207	166.2 Å²	166.2	90%	0.9	83%	0.825	S	S	*	*			trans	-148.4	32.7	178.1	-125.6	172	-171.8	179	0	119.2
82	I	28.4	Very low	28.6	Very low	171 Å²	171	165.5 Å²	165.5	88%	0.877	82%	0.82	S	S	*	*			trans	-112.3	84.7	158	-54.6	-178.4	0	0	0	108.7
83	K	27.3	Very low	28.2	Very low	196 Å²	196	160.8 Å²	160.8	85%	0.852	81%	0.809	S	S	*	*			trans	-71.3	131.4	160.3	-80.1	-168.8	173.8	-172.2	0	107.5	K85	K83-K85 PolarHBondContact O-N 3.39Å
84	R	27.1	Very low	27.8	Very low	250 Å²	250	163.9 Å²	163.9	94%	0.943	82%	0.817	S	S	*	*			trans	-58	111.2	163.5	-75.7	177.4	163.1	125.4	-5.4	108
85	K	26.6	Very low	27.7	Very low	181 Å²	181	167.6 Å²	167.6	79%	0.787	82%	0.823	S	S	*	*			trans	-83.5	123.8	159.3	-83.2	-169	171.1	-169.9	0	107	K83	K83-K85 PolarHBondContact O-N 3.39Å
86	S	26.3	Very low	27.5	Very low	117 Å²	117	168.6 Å²	168.6	82%	0.818	82%	0.823	S	S	*	*			trans	-61.4	138	156.1	36.2	0	0	0	0	109
87	W	30	Very low	27.5	Very low	245 Å²	245	169.8 Å²	169.8	93%	0.928	83%	0.83	S	S	*	*			trans	-116.3	143.2	156.7	-83.4	43.3	0	0	0	105.7
88	G	27.4	Very low	27	Very low	61 Å²	61	170.8 Å²	170.8	63%	0.629	83%	0.831	S	S	*	*			cis	178.7	135.7	-6.5	0	0	0	0	0	109.2
89	D	25.8	Very low	26.9	Very low	156 Å²	156	170.9 Å²	170.9	83%	0.834	83%	0.831	S	S	*	*			trans	-72	134.5	-167.1	-45.6	-91.4	0	0	0	112.6
90	I	27.8	Very low	26.6	Very low	154 Å²	154	168.5 Å²	168.5	79%	0.79	82%	0.82	S	S	*	*			trans	-126.5	108.3	164	-61.9	-177.3	0	0	0	108
91	Y	23.8	Very low	26.3	Very low	218 Å²	218	166.2 Å²	166.2	86%	0.855	82%	0.815	S	S	*	*			trans	-71.6	137.7	170.5	-91.5	-115.8	0	0	0	110.7
92	I	27.4	Very low	26.1	Very low	148 Å²	148	163.8 Å²	163.8	76%	0.759	81%	0.811	S	S	*	*			trans	-129.6	129	156.9	-59.9	-177.3	0	0	0	106.3
93	P	24.4	Very low	26	Very low	96 Å²	96	164.9 Å²	164.9	62%	0.623	81%	0.809	S	S	*	*			trans	-77.6	140.8	-164.3	29.4	-35.6	0	0	0	113.7	Y95	P93-Y95 HydrophobicContact CG-CE2 4.48Å
94	L	23.9	Very low	25.8	Very low	167 Å²	167	165.2 Å²	165.2	87%	0.874	81%	0.811	S	S	*	*			trans	-69.3	125.6	161.6	-72.7	164.6	0	0	0	109.4
95	Y	30.6	Very low	25.8	Very low	216 Å²	216	159.9 Å²	159.9	85%	0.847	80%	0.801	S	S	*	*			trans	-106.8	112.6	164	-97.6	-84	0	0	0	109.4	P93	P93-Y95 HydrophobicContact CG-CE2 4.48Å
96	N	24.8	Very low	25.9	Very low	136 Å²	136	159.7 Å²	159.7	73%	0.727	80%	0.802	S	S	*	*			trans	-70.8	149.1	169.4	-66.1	-6.1	0	0	0	110.1
97	N	29.9	Very low	25.9	Very low	168 Å²	168	157.9 Å²	157.9	90%	0.898	79%	0.79	S	S	*	*			trans	-154.8	113.8	144.7	-105.1	-21.6	0	0	0	109.3
98	E	22.8	Very low	25.6	Very low	185 Å²	185	153.1 Å²	153.1	86%	0.864	78%	0.782	S	S	*	*			trans	-79	135.8	170.1	-56.7	174.7	125.4	0	0	109.3
99	I	25.1	Very low	25.6	Very low	171 Å²	171	160 Å²	160	88%	0.877	80%	0.795	S	S	*	*			trans	-132.8	147.2	155.6	-65	-173	0	0	0	108
100	S	23.4	Very low	25.5	Very low	92 Å²	92	160.7 Å²	160.7	64%	0.643	79%	0.793	S	S	*	*			trans	-126.9	146	-145	44.3	0	0	0	0	114.2
101	I	22.4	Very low	25.5	Very low	155 Å²	155	160.1 Å²	160.1	80%	0.795	80%	0.797	S	S	*	*			trans	52.4	127.9	146.8	-46.4	154.2	0	0	0	118.5
102	I	22.8	Very low	25.6	Very low	156 Å²	156	156.5 Å²	156.5	80%	0.8	80%	0.797	S	S	*	*				171.8	125.5	123.1	-87.3	161.9	0	0	0	109.6
103	K	25.5	Very low	25.5	Very low	194 Å²	194	157 Å²	157	84%	0.843	80%	0.801	S	S	*	*			trans	-84.6	150.5	165.2	-70.3	-179.5	177.4	177.8	0	110.2
104	K	25.1	Very low	25.6	Very low	204 Å²	204	157.6 Å²	157.6	89%	0.887	80%	0.804	S	S	*	*			trans	-151.5	147.2	146	-118.1	168.6	-174	177.4	0	112.7
105	N	25.4	Very low	25.7	Very low	137 Å²	137	159 Å²	159	73%	0.733	80%	0.803	S	S	*	*			trans	-90.7	168.7	-176.4	-57	-25.8	0	0	0	111.1
106	H	29.4	Very low	25.5	Very low	177 Å²	177	153.4 Å²	153.4	82%	0.819	80%	0.795	S	S	*	*				165.5	117	127.2	-85.1	-62.2	0	0	0	107.4
107	S	26.8	Very low	25.6	Very low	80 Å²	80	153.6 Å²	153.6	56%	0.559	80%	0.801	S	S	*	*			cis	99	133.5	34.7	73.4	0	0	0	0	113.2
108	L	23.5	Very low	25.3	Very low	144 Å²	144	151.3 Å²	151.3	75%	0.754	79%	0.793	S	S	*	*			trans	72.2	118.2	166.5	-61.6	153.1	0	0	0	117.3
109	F	26.5	Very low	25.6	Very low	206 Å²	206	146.8 Å²	146.8	90%	0.904	78%	0.78	S	S	*	*				-156.4	119.9	102.7	-103.1	-70.6	0	0	0	110.8
110	Q	24.6	Very low	25.6	Very low	171 Å²	171	148.2 Å²	148.2	80%	0.799	78%	0.78	S	S	*	*			trans	-91.7	144.8	156.8	-69.2	173.1	-56.3	0	0	108.2
111	T	27.5	Very low	25.8	Very low	142 Å²	142	150.1 Å²	150.1	87%	0.871	78%	0.783	S	S	*	*			trans	-154.9	134.6	136.4	24.3	0	0	0	0	109.5
112	T	25.7	Very low	26	Very low	141 Å²	141	149.7 Å²	149.7	87%	0.865	78%	0.782	S	S	*	*			trans	-85.8	140.1	166.2	45.1	0	0	0	0	109.4
113	N	25.4	Very low	26.3	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	79%	0.787	S	S	*	*			trans	-153.6	161.1	149.1	-146.3	-16.2	0	0	0	111.8
114	T	26.8	Very low	26.4	Very low	110 Å²	110	149.8 Å²	149.8	68%	0.675	78%	0.784	S	S	*	*			trans	-118.6	163.7	-176.9	63.3	0	0	0	0	111.1
115	K	25.3	Very low	26.4	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.857	78%	0.777	S	S	*	*			trans	69.8	88.2	170.7	-52.1	174.2	-175.1	176.5	0	117.1
116	S	27.6	Very low	26.6	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	78%	0.777	S	S	*	*			trans	-154.9	108.7	143.7	-171.8	0	0	0	0	107.3
117	V	25.4	Very low	26.4	Very low	141 Å²	141	144 Å²	144	86%	0.855	78%	0.781	S	S	*	*				76.5	15.6	56.5	-167.4	0	0	0	0	113.4
118	V	24.7	Very low	26.3	Very low	119 Å²	119	144 Å²	144	72%	0.721	78%	0.781	S	S	*	*			trans	-140	122.9	168.8	-175.4	0	0	0	0	107.7
119	C	27.9	Very low	26.4	Very low	90 Å²	90	143.8 Å²	143.8	61%	0.608	79%	0.785	S	S	*	*			cis	-130	119.6	0.9	-101.1	0	0	0	0	110.6	N121	C119-N121 PolarHBondContact O-N 2.97Å
120	K	26.1	Very low	26.4	Very low	202 Å²	202	145.1 Å²	145.1	88%	0.878	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	12.4	176.8	-122	178.4	-177.5	-177.9	0	114.5
121	N	27.1	Very low	26.5	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-1.2	-165.3	-71.9	-1.4	0	0	0	115.8	C119	C119-N121 PolarHBondContact O-N 2.97Å
122	L	27.9	Very low	26.4	Very low	147 Å²	147	147.8 Å²	147.8	77%	0.77	79%	0.785	S	S	*	*	S	Bend	trans	-94.5	-0.7	179.8	-76.1	166.7	0	0	0	114.4
123	L	28.7	Very low	26.3	Very low	173 Å²	173	148.2 Å²	148.2	91%	0.906	78%	0.782	S	S	*	*	S	Bend	trans	-108	29.7	179.3	-79.9	163.9	0	0	0	112.5
124	K	26.1	Very low	26.5	Very low	178 Å²	178	149.5 Å²	149.5	77%	0.774	78%	0.784	S	S	*	*	S	Bend	trans	-139.3	10	-171.4	-107.3	-174.5	177	-173	0	117
125	T	25.1	Very low	26.7	Very low	120 Å²	120	151 Å²	151	74%	0.736	79%	0.787	S	S	*	*	S	Bend	trans	-133	56.3	-174.2	51	0	0	0	0	113.3
126	S	30.3	Very low	27.6	Very low	105 Å²	105	150.1 Å²	150.1	73%	0.734	78%	0.784	S	S	*	*			trans	-160.8	-0.8	161.2	54.3	0	0	0	0	114.9	S128	S126-S128 PolarHBondContact O-N 3.47Å
127	L	25.6	Very low	28.6	Very low	173 Å²	173	150.8 Å²	150.8	91%	0.906	78%	0.776	S	S	*	*			trans	-73.6	80.5	163.7	-83.3	83	0	0	0	109.8
128	S	25.2	Very low	30	Very low	80 Å²	80	147.3 Å²	147.3	56%	0.559	75%	0.753	S	S	*	*			trans	-142.5	78.5	174.1	60.3	0	0	0	0	111.3	S126 Y130	S126-S128 PolarHBondContact O-N 3.47Å; S128-Y130 PolarHBondContact O-N 3.16Å
129	T	24.2	Very low	32.5	Very low	138 Å²	138	144.6 Å²	144.6	85%	0.847	73%	0.734	S	S	*	*			trans	42.6	65.8	145.7	59.9	0	0	0	0	116.3
130	Y	27.3	Very low	35.2	Very low	234 Å²	234	142.4 Å²	142.4	92%	0.918	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-83.6	136.3	152.4	-99	-97	0	0	0	109.6	S128	S128-Y130 PolarHBondContact O-N 3.16Å
131	K	25.6	Very low	38.3	Very low	193 Å²	193	132.8 Å²	132.8	84%	0.839	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-81.2	150.6	-171.7	-67.9	171.4	175.9	173.4	0	109.9
132	E	25.6	Very low	41.4	Very low	176 Å²	176	127.3 Å²	127.3	82%	0.822	64%	0.643	S	S	*	*	S	Bend	trans	-55.1	152.7	163.7	-60.1	160.2	134.5	0	0	110.1
133	N	24.8	Very low	44.6	Very low	150 Å²	150	120.3 Å²	120.3	80%	0.802	61%	0.607	S	S	*	*	S	Bend	trans	86.2	83.4	-177	-47.5	-76.8	0	0	0	116.9
134	E	28.8	Very low	47.7	Very low	186 Å²	186	113.6 Å²	113.6	87%	0.869	57%	0.571	S	S	*	*			trans	-170.2	-27.8	130.2	-107.8	167.1	-166.5	0	0	114.2	K136	E134-K136 PolarHBondContact O-N 3.28Å
135	D	31.6	Very low	51	Low	141 Å²	141	105.2 Å²	105.2	75%	0.754	54%	0.535	S	S	*	.			trans	-71.8	68.2	-163	-52.7	-39.7	0	0	0	117.8
136	K	43.8	Very low	54.2	Low	179 Å²	179	99.9 Å²	99.9	78%	0.778	50%	0.502	S	S	*	.	S	Bend	trans	-102.7	-8.1	173.3	-83.5	-173.6	-178	178.6	0	116.4	E134 Q140	E134-K136 PolarHBondContact O-N 3.28Å; K136-Q140 PolarHBondContact O-NE2 2.94Å
137	Q	50.1	Low	57.1	Low	110 Å²	110	95 Å²	95	51%	0.514	47%	0.467	S	S	.	.	S	Bend	trans	-94.6	-37.5	-177.3	-70.7	-171.1	-95.4	0	0	114.3	N139 Q140	Q137-N139 PolarHBondContact O-N 3.15Å; Q137-Q140 PolarHBondContact O-N 3.03Å
138	D	54.6	Low	60.1	Low	69 Å²	69	89.9 Å²	89.9	37%	0.369	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9	-168.3	-69.1	26.8	0	0	0	114.9	N284 N339	D138-N284 WeakPolarHBondContact CA-OD1 3.41Å; D138-N339 PolarHBondContact O-ND2 2.93Å
139	N	75.4	Confident	63	Low	61 Å²	61	88.9 Å²	88.9	33%	0.326	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	17.3	174.3	-77.5	-63.8	0	0	0	113.8	Q137 L248 N339	Q137-N139 PolarHBondContact O-N 3.15Å; N139-L248 PolarHBondContact O-N 3.08Å; N139-N339 WeakPolarHBondContact OD1-CB 2.95Å; N139-N339 PolarHBondContact OD1-ND2 3.19Å
140	Q	86.2	Confident	66	Low	44 Å²	44	83.1 Å²	83.1	21%	0.206	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	-178.8	-52.3	-165.8	40.7	0	0	113.5	K136 Q137 I142 T245 Y246 L247	K136-Q140 PolarHBondContact O-NE2 2.94Å; Q137-Q140 PolarHBondContact O-N 3.03Å; Q140-I142 HydrophobicContact CB-CG1 4.18Å; Q140-T245 PolarHBondContact OE1-OG1 3.45Å; Q140-Y246 CarbonylContact C-O 3.55Å; Q140-Y246 VanDerWaalsContact CA-O 3.31Å; Q140-Y246 WeakPolarHBondContact CA-O 3.4Å; Q140-L247 HydrophobicContact CG-CD2 3.98Å
141	L	90.1	Very high	68.7	Low	1 Å²	1	75.3 Å²	75.3	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.9	166.8	-167.7	65.3	0	0	0	108.1	F143 T245 Y246 F251 I257 V281 I330	L141-F143 HydrophobicContact CD2-CE2 3.73Å; L141-F143 HydrophobicContact CD2-CZ 3.66Å; L141-F143 HydrophobicContact CG-CE2 3.82Å; L141-F143 HydrophobicContact CG-CZ 3.99Å; L141-T245 WeakPolarHBondContact O-CA 3.32Å; L141-Y246 PolarHBondContact N-O 3.25Å; L141-Y246 PolarHBondContact O-N 3.35Å; L141-F251 HydrophobicContact CB-CE2 4.35Å; L141-F251 HydrophobicContact CD2-CE2 4.02Å; L141-F251 HydrophobicContact CD2-CZ 4.05Å; L141-I257 HydrophobicContact CD2-CD1 3.84Å; L141-V281 HydrophobicContact CD1-CG2 3.43Å; L141-V281 VanDerWaalsContact CD1-CG2 3.43Å; L141-V281 HydrophobicContact CD2-CG2 4.49Å; L141-V281 HydrophobicContact CG-CG2 3.81Å; L141-I330 HydrophobicContact CD1-CD1 4.48Å; L141-I330 HydrophobicContact CD1-CG2 3.96Å
142	I	92.2	Very high	71.2	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.077	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.8	-171.9	-60.5	177.7	0	0	0	109.3	Q140 H144 Q243 T245 V281 I282	Q140-I142 HydrophobicContact CB-CG1 4.18Å; I142-H144 VanDerWaalsContact CG2-NE2 3.3Å; I142-H144 WeakPolarHBondContact CG2-NE2 3.41Å; I142-Q243 HydrophobicContact CG2-CG 4.15Å; I142-T245 HydrophobicContact CB-CG2 4.31Å; I142-T245 HydrophobicContact CG1-CG2 3.85Å; I142-T245 HydrophobicContact CG2-CG2 4.14Å; I142-V281 CarbonylContact O-C 3.56Å; I142-V281 WeakPolarHBondContact O-CA 3.42Å; I142-I282 HydrophobicContact CB-CB 4.24Å; I142-I282 PolarHBondContact N-O 2.78Å; I142-I282 PolarHBondContact O-N 2.91Å
143	F	94.5	Very high	74	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.2	173.2	-63.4	-88.7	0	0	0	110.7	L141 Q243 F244 Y246 I257 I259 H280 V281 L290 L325	L141-F143 HydrophobicContact CD2-CE2 3.73Å; L141-F143 HydrophobicContact CD2-CZ 3.66Å; L141-F143 HydrophobicContact CG-CE2 3.82Å; L141-F143 HydrophobicContact CG-CZ 3.99Å; F143-Q243 WeakPolarHBondContact O-CA 3.38Å; F143-F244 HydrophobicContact CB-CD1 4Å; F143-F244 HydrophobicContact CB-CD2 3.84Å; F143-F244 HydrophobicContact CB-CE1 3.66Å; F143-F244 HydrophobicContact CB-CE2 3.49Å; F143-F244 VanDerWaalsContact CB-CE2 3.49Å; F143-F244 HydrophobicContact CB-CG 4.09Å; F143-F244 HydrophobicContact CB-CZ 3.39Å; F143-F244 HydrophobicContact CD2-CD2 4.04Å; F143-F244 AromaticContact CD2-CE2 3.73Å; F143-F244 HydrophobicContact CD2-CE2 3.73Å; F143-F244 HydrophobicContact CD2-CZ 4.42Å; F143-F244 HydrophobicContact CG-CD2 4.23Å; F143-F244 AromaticContact CG-CE2 3.67Å; F143-F244 HydrophobicContact CG-CE2 3.67Å; F143-F244 AromaticContact CG-CZ 3.89Å; F143-F244 HydrophobicContact CG-CZ 3.89Å; F143-F244 PolarHBondContact N-O 3.46Å; F143-F244 PolarHBondContact O-N 3.33Å; F143-Y246 AromaticContact CD2-CD2 3.96Å; F143-Y246 HydrophobicContact CD2-CD2 3.96Å; F143-Y246 HydrophobicContact CD2-CE2 4.24Å; F143-Y246 AromaticContact CE2-CD2 3.81Å; F143-Y246 HydrophobicContact CE2-CD2 3.81Å; F143-Y246 HydrophobicContact CE2-CE2 4.21Å; F143-I257 HydrophobicContact CZ-CD1 4.48Å; F143-I259 HydrophobicContact CD1-CD1 3.77Å; F143-I259 HydrophobicContact CE1-CD1 3.54Å; F143-I259 HydrophobicContact CG-CD1 4.5Å; F143-I259 HydrophobicContact CZ-CD1 4.11Å; F143-H280 WeakPolarHBondContact CA-O 3.38Å; F143-V281 HydrophobicContact CD1-CB 3.81Å; F143-V281 HydrophobicContact CD1-CG2 3.86Å; F143-V281 HydrophobicContact CE1-CB 3.73Å; F143-V281 HydrophobicContact CE1-CG2 3.55Å; F143-V281 HydrophobicContact CE2-CG2 4.46Å; F143-V281 HydrophobicContact CG-CG2 4.44Å; F143-V281 HydrophobicContact CZ-CG2 3.89Å; F143-L290 HydrophobicContact CD1-CD1 4.04Å; F143-L290 HydrophobicContact CE1-CD1 3.76Å; F143-L325 HydrophobicContact CE1-CD1 4.23Å; F143-L325 HydrophobicContact CZ-CD1 4.4Å
144	H	95.1	Very high	76.7	Confident	33 Å²	33	64.2 Å²	64.2	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.1	172.5	-71.5	174.6	0	0	0	108.9	I142 R241 Q243 L279 H280 I282	I142-H144 VanDerWaalsContact CG2-NE2 3.3Å; I142-H144 WeakPolarHBondContact CG2-NE2 3.41Å; H144-R241 HydrophobicContact CB-CG 4.26Å; H144-R241 PolarHBondContact CE1-NH1 3.47Å; H144-R241 VanDerWaalsContact ND1-CZ 3.33Å; H144-R241 PolarHBondContact ND1-NE 2.91Å; H144-R241 PolarHBondContact ND1-NH1 3.41Å; H144-R241 VanDerWaalsContact ND1-NH1 3.18Å; H144-Q243 WeakPolarHBondContact NE2-CG 3.35Å; H144-Q243 PolarHBondContact NE2-NE2 3.18Å; H144-Q243 PolarHBondContact NE2-OE1 2.97Å; H144-L279 CarbonylContact O-C 3.59Å; H144-L279 WeakPolarHBondContact O-CA 3.26Å; H144-H280 HydrophobicContact CB-CB 4.47Å; H144-H280 PolarHBondContact N-O 3.32Å; H144-H280 PolarHBondContact O-N 3.01Å; H144-I282 VanDerWaalsContact CE1-CD1 3.47Å; H144-I282 WeakPolarHBondContact CE1-CD1 3.46Å; H144-I282 WeakPolarHBondContact ND1-CD1 3.48Å
145	L	95.1	Very high	79.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	102.8	169.7	178.2	64.2	0	0	0	109.1	I147 L159 I162 I242 F244 I261 C277 L279	L145-I147 HydrophobicContact CD2-CD1 4.47Å; L145-I147 HydrophobicContact CG-CG1 4.31Å; L145-L159 HydrophobicContact CD2-CD1 4.5Å; L145-I162 HydrophobicContact CD2-CD1 3.67Å; L145-I162 HydrophobicContact CD2-CG1 4.44Å; L145-I242 HydrophobicContact CB-CB 4.29Å; L145-I242 HydrophobicContact CD2-CD1 4.5Å; L145-I242 PolarHBondContact N-O 2.97Å; L145-I242 PolarHBondContact O-N 2.91Å; L145-F244 HydrophobicContact CB-CE1 4.35Å; L145-I261 HydrophobicContact CD1-CD1 3.82Å; L145-I261 HydrophobicContact CD2-CD1 4.12Å; L145-C277 HydrophobicContact CD1-CB 3.75Å; L145-L279 HydrophobicContact CB-CD1 3.94Å; L145-L279 HydrophobicContact CD1-CB 4.23Å; L145-L279 HydrophobicContact CD1-CD1 4.23Å
146	D	91.8	Very high	82	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.043	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.3	177.8	-67.7	-7	0	0	0	109.8	F148 I186 L240 R241 C277 L278	D146-F148 HydrophobicContact CB-CE1 4.41Å; D146-F148 HydrophobicContact CB-CE2 4.3Å; D146-F148 HydrophobicContact CB-CZ 3.84Å; D146-I186 HydrophobicContact CB-CD1 3.77Å; D146-L240 WeakPolarHBondContact CA-O 3.34Å; D146-R241 WeakPolarHBondContact OD1-CB 3.43Å; D146-R241 WeakPolarHBondContact OD1-CG 3.39Å; D146-R241 IonicContact OD1-CZ 2.69Å; D146-R241 IonicContact OD1-NE 3.64Å; D146-R241 PolarHBondContact OD1-NE 3.11Å; D146-R241 IonicContact OD1-NH2 3.53Å; D146-R241 PolarHBondContact OD1-NH2 3Å; D146-R241 IonicContact OD2-CZ 3.68Å; D146-R241 IonicContact OD2-NE 3.69Å; D146-R241 IonicContact OD2-NH2 3.57Å; D146-R241 PolarHBondContact OD2-NH2 3.31Å; D146-C277 CarbonylContact O-C 3.58Å; D146-C277 WeakPolarHBondContact O-CA 3.24Å; D146-C277 VanDerWaalsContact O-CB 3.24Å; D146-C277 WeakPolarHBondContact O-CB 3.43Å; D146-L278 HydrophobicContact CB-CB 4.18Å; D146-L278 HydrophobicContact CB-CD2 4.48Å; D146-L278 PolarHBondContact N-O 3.36Å; D146-L278 PolarHBondContact O-N 3.41Å
147	I	92	Very high	84.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.1	-177.1	-64.4	170	0	0	0	108.6	L145 I157 L159 W231 L238 P239 L240 I242 V274 C277	L145-I147 HydrophobicContact CD2-CD1 4.47Å; L145-I147 HydrophobicContact CG-CG1 4.31Å; I147-I157 HydrophobicContact CG2-CD1 3.52Å; I147-L159 HydrophobicContact CD1-CD1 4.27Å; I147-W231 HydrophobicContact CD1-CZ3 4.35Å; I147-L238 HydrophobicContact CB-CD2 4.36Å; I147-L238 HydrophobicContact CG2-CD2 3.84Å; I147-L238 VanDerWaalsContact O-CD2 3.3Å; I147-L238 WeakPolarHBondContact O-CD2 3.37Å; I147-P239 WeakPolarHBondContact O-CA 3.46Å; I147-L240 HydrophobicContact CB-CD1 4.25Å; I147-L240 HydrophobicContact CB-CG 4.28Å; I147-L240 HydrophobicContact CD1-CD1 4.19Å; I147-L240 PolarHBondContact N-O 2.94Å; I147-L240 PolarHBondContact O-N 3.27Å; I147-L240 VanDerWaalsContact O-N 3.09Å; I147-I242 HydrophobicContact CD1-CD1 3.67Å; I147-I242 HydrophobicContact CD1-CG1 4.28Å; I147-V274 HydrophobicContact CD1-CG2 4.1Å; I147-V274 HydrophobicContact CG1-CG1 4.44Å; I147-V274 HydrophobicContact CG2-CG1 3.92Å; I147-V274 HydrophobicContact CG2-CG2 3.9Å; I147-C277 HydrophobicContact CG1-CB 4.15Å
148	F	87.8	Confident	86	Confident	66 Å²	66	47.6 Å²	47.6	29%	0.289	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-35.7	-171.8	-55.4	-74.6	0	0	0	114.3	D146 P239 K276 L278	D146-F148 HydrophobicContact CB-CE1 4.41Å; D146-F148 HydrophobicContact CB-CE2 4.3Å; D146-F148 HydrophobicContact CB-CZ 3.84Å; F148-P239 HydrophobicContact CD1-CB 4.1Å; F148-K276 HydrophobicContact CD2-CB 4.49Å; F148-K276 HydrophobicContact CD2-CD 4.19Å; F148-K276 HydrophobicContact CD2-CG 4.35Å; F148-K276 PolarHBondContact N-O 3.46Å; F148-K276 VanDerWaalsContact N-O 3.11Å; F148-L278 HydrophobicContact CE2-CB 3.57Å; F148-L278 HydrophobicContact CE2-CD2 4.32Å; F148-L278 HydrophobicContact CZ-CB 3.91Å; F148-L278 HydrophobicContact CZ-CD2 3.85Å
149	N	85.8	Confident	87.7	Confident	60 Å²	60	44.3 Å²	44.3	32%	0.321	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.5	-176.9	57	16.4	0	0	0	112.9	I157 K275 K276	N149-I157 WeakPolarHBondContact O-CD1 3.36Å; N149-K275 PolarHBondContact O-N 3.48Å; N149-K275 WeakPolarHBondContact OD1-CB 3.34Å; N149-K276 WeakPolarHBondContact OD1-CB 3.45Å; N149-K276 PolarHBondContact OD1-N 3.36Å
150	N	88.6	Confident	88.2	Confident	16 Å²	16	41.5 Å²	41.5	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-178.6	171.1	68.7	4.7	0	0	0	111.1	G152 N153 W156 I157 I235 N271 S273 K275	N150-G152 PolarHBondContact OD1-N 3.39Å; N150-N153 PolarHBondContact ND2-N 2.97Å; N150-N153 PolarHBondContact ND2-O 2.88Å; N150-W156 PolarHBondContact ND2-O 3.03Å; N150-I157 HydrophobicContact CB-CB 4.25Å; N150-I157 HydrophobicContact CB-CD1 3.82Å; N150-I157 HydrophobicContact CB-CG1 3.85Å; N150-I235 WeakPolarHBondContact ND2-CD1 3.48Å; N150-N271 PolarHBondContact ND2-O 3.16Å; N150-S273 VanDerWaalsContact CA-O 3.24Å; N150-S273 WeakPolarHBondContact CA-O 3.47Å; N150-S273 VanDerWaalsContact CB-O 3.3Å; N150-S273 WeakPolarHBondContact CB-O 3.48Å; N150-K275 VanDerWaalsContact O-CB 3.24Å; N150-K275 WeakPolarHBondContact O-CB 3.31Å; N150-K275 WeakPolarHBondContact O-CD 3.13Å
151	W	84.2	Confident	88.4	Confident	71 Å²	71	39.4 Å²	39.4	27%	0.269	19%	0.187	S	C	.	.	S	Bend	trans	-79	-13.3	-179	-80	100.6	0	0	0	115.9	N271 S273 V274 K275 L295 Y297	W151-N271 PolarHBondContact N-O 2.87Å; W151-S273 PolarHBondContact N-O 2.97Å; W151-S273 VanDerWaalsContact N-O 3.16Å; W151-V274 PolarHBondContact NE1-O 2.83Å; W151-K275 HydrophobicContact CD2-CB 3.97Å; W151-K275 HydrophobicContact CD2-CD 3.71Å; W151-K275 HydrophobicContact CD2-CG 3.87Å; W151-K275 HydrophobicContact CE3-CD 3.69Å; W151-K275 HydrophobicContact CE3-CG 4.29Å; W151-K275 HydrophobicContact CG-CB 3.89Å; W151-K275 HydrophobicContact CG-CD 4.26Å; W151-K275 HydrophobicContact CG-CG 4.33Å; W151-K275 HydrophobicContact CH2-CD 4.22Å; W151-K275 HydrophobicContact CH2-CG 4.28Å; W151-K275 HydrophobicContact CZ2-CB 4.47Å; W151-K275 HydrophobicContact CZ2-CD 4.23Å; W151-K275 HydrophobicContact CZ2-CG 3.86Å; W151-K275 HydrophobicContact CZ3-CD 3.98Å; W151-K275 VanDerWaalsContact CZ3-CE 3.48Å; W151-K275 HydrophobicContact CZ3-CG 4.49Å; W151-K275 VanDerWaalsContact CZ3-NZ 3.26Å; W151-L295 WeakPolarHBondContact CZ2-O 3.42Å; W151-L295 PolarHBondContact NE1-O 2.88Å; W151-Y297 HydrophobicContact CB-CD2 3.76Å; W151-Y297 HydrophobicContact CB-CE2 3.91Å; W151-Y297 AromaticContact CD1-CD2 3.89Å; W151-Y297 AromaticContact CD2-CD2 3.57Å; W151-Y297 HydrophobicContact CD2-CD2 3.57Å; W151-Y297 HydrophobicContact CD2-CE2 4.47Å; W151-Y297 HydrophobicContact CD2-CG 4.07Å; W151-Y297 AromaticContact CE3-CD2 3.94Å; W151-Y297 HydrophobicContact CE3-CD2 3.94Å; W151-Y297 HydrophobicContact CE3-CG 4.2Å; W151-Y297 AromaticContact CG-CD2 3.45Å; W151-Y297 HydrophobicContact CG-CD2 3.45Å; W151-Y297 VanDerWaalsContact CG-CD2 3.45Å; W151-Y297 HydrophobicContact CG-CE2 4.13Å; W151-Y297 HydrophobicContact CG-CG 4.38Å
152	G	77	Confident	88.5	Confident	45 Å²	45	39.4 Å²	39.4	46%	0.464	19%	0.187	S	C	.	.	S	Bend	trans	162.3	-2.4	168	0	0	0	0	0	117.9	N150 N271	N150-G152 PolarHBondContact OD1-N 3.39Å; G152-N271 PolarHBondContact N-O 3.27Å
153	N	83.7	Confident	88.4	Confident	45 Å²	45	40 Å²	40	24%	0.241	19%	0.189	C	C	.	.			trans	-71	132.9	-178.1	-170.8	-70	0	0	0	111.6	N150 K155 W156 I235 N271 I272	N150-N153 PolarHBondContact ND2-N 2.97Å; N150-N153 PolarHBondContact ND2-O 2.88Å; N153-K155 PolarHBondContact O-N 2.83Å; N153-K155 PolarHBondContact OD1-N 3.4Å; N153-W156 PolarHBondContact OD1-N 3.45Å; N153-W156 VanDerWaalsContact OD1-N 3.1Å; N153-I235 VanDerWaalsContact O-CD1 3.26Å; N153-I235 WeakPolarHBondContact O-CD1 3.4Å; N153-N271 HydrophobicContact CB-CB 4.24Å; N153-N271 WeakPolarHBondContact CB-O 3.16Å; N153-N271 PolarHBondContact N-O 2.99Å; N153-I272 HydrophobicContact CB-CB 4.31Å; N153-I272 HydrophobicContact CB-CG1 3.61Å; N153-I272 VanDerWaalsContact ND2-CG1 3.35Å; N153-I272 WeakPolarHBondContact ND2-CG1 3.46Å
154	K	82.5	Confident	88.2	Confident	195 Å²	195	40 Å²	40	85%	0.848	19%	0.189	S	C	*	.	S	Bend	trans	-84.7	2.1	-175.3	-61.6	-174.7	179.3	-178.4	0	115.5
155	K	83.7	Confident	87.8	Confident	155 Å²	155	39.6 Å²	39.6	67%	0.674	19%	0.188	S	C	*	.	S	Bend	trans	-127.1	-40.2	-173.8	-67.5	-173.8	176.6	-175.8	0	114	N153 I235	N153-K155 PolarHBondContact O-N 2.83Å; N153-K155 PolarHBondContact OD1-N 3.4Å; K155-I235 WeakPolarHBondContact O-CG2 3.33Å; K155-I235 PolarHBondContact O-N 3.43Å
156	W	87.5	Confident	87.3	Confident	112 Å²	112	39.8 Å²	39.8	42%	0.424	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.9	-168.2	-60.9	103.6	0	0	0	112.3	N150 N153 P234 I272	N150-W156 PolarHBondContact ND2-O 3.03Å; N153-W156 PolarHBondContact OD1-N 3.45Å; N153-W156 VanDerWaalsContact OD1-N 3.1Å; W156-P234 HydrophobicContact CE3-CG 4.3Å; W156-P234 HydrophobicContact CH2-CG 4.32Å; W156-P234 HydrophobicContact CZ3-CG 3.76Å; W156-I272 HydrophobicContact CB-CD1 4.49Å; W156-I272 HydrophobicContact CB-CG1 4.42Å; W156-I272 HydrophobicContact CB-CG2 3.72Å
157	I	89.4	Confident	86.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.3	163.6	-173.2	164.9	0	0	0	109.7	I147 N149 N150 T233 L238 I272 V274	I147-I157 HydrophobicContact CG2-CD1 3.52Å; N149-I157 WeakPolarHBondContact O-CD1 3.36Å; N150-I157 HydrophobicContact CB-CB 4.25Å; N150-I157 HydrophobicContact CB-CD1 3.82Å; N150-I157 HydrophobicContact CB-CG1 3.85Å; I157-T233 HydrophobicContact CG2-CG2 3.62Å; I157-T233 PolarHBondContact N-O 2.79Å; I157-T233 PolarHBondContact O-N 2.94Å; I157-L238 HydrophobicContact CD1-CD1 3.87Å; I157-L238 HydrophobicContact CD1-CD2 4.07Å; I157-L238 HydrophobicContact CG2-CD1 4.39Å; I157-L238 HydrophobicContact CG2-CD2 4.39Å; I157-L238 HydrophobicContact CG2-CG 4.42Å; I157-I272 VanDerWaalsContact CA-O 3.29Å; I157-I272 WeakPolarHBondContact CA-O 3.31Å; I157-V274 HydrophobicContact CD1-CG2 3.94Å; I157-V274 HydrophobicContact CG1-CG2 3.85Å
158	G	88.5	Confident	85.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	173	-178.7	0	0	0	0	0	116	W231 I272 V274	G158-W231 CarbonylContact C-O 3.43Å; G158-W231 WeakPolarHBondContact CA-O 3.44Å; G158-I272 PolarHBondContact N-O 2.88Å; G158-I272 VanDerWaalsContact N-O 3.16Å; G158-V274 PolarHBondContact O-N 2.91Å
159	L	90.2	Very high	83.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.2	-179.8	-70.8	172.8	0	0	0	109.8	L145 I147 G161 I162 L217 W231 I261 F264 V274 L295	L145-L159 HydrophobicContact CD2-CD1 4.5Å; I147-L159 HydrophobicContact CD1-CD1 4.27Å; L159-G161 PolarHBondContact O-N 2.86Å; L159-I162 HydrophobicContact CD1-CG1 4.41Å; L159-L217 HydrophobicContact CD1-CD1 4.37Å; L159-W231 HydrophobicContact CB-CE3 4.26Å; L159-W231 HydrophobicContact CG-CE3 4.42Å; L159-W231 PolarHBondContact N-O 3.22Å; L159-W231 PolarHBondContact O-N 3.35Å; L159-I261 HydrophobicContact CD1-CG2 4.15Å; L159-I261 HydrophobicContact CD2-CG2 4.01Å; L159-F264 WeakPolarHBondContact O-CE1 3.47Å; L159-V274 HydrophobicContact CD1-CG2 4.39Å; L159-V274 HydrophobicContact CD2-CB 3.8Å; L159-V274 HydrophobicContact CD2-CG2 3.61Å; L159-V274 HydrophobicContact CG-CB 4.49Å; L159-V274 HydrophobicContact CG-CG2 3.75Å; L159-L295 HydrophobicContact CD2-CD1 4.12Å
160	N	87.2	Confident	81.7	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-66	-32.3	169.6	-101.7	30.5	0	0	0	110.2	F222 T224 M230 W262 F264	N160-F222 PolarHBondContact ND2-O 2.93Å; N160-T224 PolarHBondContact ND2-O 2.82Å; N160-M230 WeakPolarHBondContact OD1-CE 3.48Å; N160-W262 HydrophobicContact CB-CB 3.89Å; N160-W262 PolarHBondContact N-O 2.81Å; N160-F264 HydrophobicContact CB-CD1 4.43Å; N160-F264 WeakPolarHBondContact OD1-CD1 3.21Å
161	G	89.5	Confident	80.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-172.8	168	0	0	0	0	0	113.7	L159 L217 W262	L159-G161 PolarHBondContact O-N 2.86Å; G161-L217 CarbonylContact C-O 3.54Å; G161-L217 VanDerWaalsContact CA-O 3.24Å; G161-L217 WeakPolarHBondContact CA-O 3.39Å; G161-W262 PolarHBondContact N-O 3.01Å; G161-W262 PolarHBondContact O-N 2.89Å
162	I	91.2	Very high	79	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.2	171.7	-56.6	172.5	0	0	0	106.7	L145 L159 V164 L217 F218 F222 I242 I259 N260	L145-I162 HydrophobicContact CD2-CD1 3.67Å; L145-I162 HydrophobicContact CD2-CG1 4.44Å; L159-I162 HydrophobicContact CD1-CG1 4.41Å; I162-V164 HydrophobicContact CG2-CG2 4.43Å; I162-L217 HydrophobicContact CD1-CD1 3.92Å; I162-L217 HydrophobicContact CD1-CD2 4.16Å; I162-L217 HydrophobicContact CD1-CG 4.07Å; I162-L217 HydrophobicContact CG1-CD1 3.91Å; I162-L217 HydrophobicContact CG1-CG 4.28Å; I162-L217 PolarHBondContact N-O 2.83Å; I162-F218 HydrophobicContact CB-CD1 4.23Å; I162-F218 HydrophobicContact CB-CE1 3.84Å; I162-F218 HydrophobicContact CB-CZ 4.05Å; I162-F218 HydrophobicContact CD1-CZ 4.19Å; I162-F218 HydrophobicContact CG2-CD1 4.4Å; I162-F218 HydrophobicContact CG2-CE1 3.69Å; I162-F218 HydrophobicContact CG2-CZ 4.08Å; I162-F218 VanDerWaalsContact O-CD1 3.22Å; I162-F218 WeakPolarHBondContact O-CD1 3.38Å; I162-F222 WeakPolarHBondContact O-CE1 3.4Å; I162-F222 WeakPolarHBondContact O-CZ 3.48Å; I162-I242 HydrophobicContact CD1-CD1 4.48Å; I162-I242 HydrophobicContact CD1-CG2 4.34Å; I162-I259 HydrophobicContact CG2-CG2 4.12Å; I162-N260 WeakPolarHBondContact CA-O 3.26Å
163	E	91.3	Very high	78.9	Confident	29 Å²	29	60.7 Å²	60.7	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.6	171.2	-165	173.4	-137.3	0	0	109.2	L165 K175 F222 I259 N260	E163-L165 HydrophobicContact CG-CD2 3.8Å; E163-L165 HydrophobicContact CG-CG 4.03Å; E163-K175 HydrophobicContact CG-CD 4.12Å; E163-K175 HydrophobicContact CG-CG 4.3Å; E163-F222 HydrophobicContact CB-CD2 4.28Å; E163-F222 HydrophobicContact CB-CE1 4.2Å; E163-F222 HydrophobicContact CB-CE2 3.51Å; E163-F222 HydrophobicContact CB-CZ 3.44Å; E163-F222 VanDerWaalsContact CB-CZ 3.44Å; E163-F222 VanDerWaalsContact CD-CE2 3.45Å; E163-F222 HydrophobicContact CG-CD2 4.35Å; E163-F222 HydrophobicContact CG-CE2 3.46Å; E163-F222 VanDerWaalsContact CG-CE2 3.46Å; E163-F222 HydrophobicContact CG-CZ 3.79Å; E163-F222 VanDerWaalsContact OE1-CE2 3.3Å; E163-F222 WeakPolarHBondContact OE1-CE2 3.39Å; E163-I259 CarbonylContact O-C 3.49Å; E163-I259 WeakPolarHBondContact O-CA 3.49Å; E163-N260 HydrophobicContact CB-CB 4.02Å; E163-N260 PolarHBondContact N-O 2.79Å; E163-N260 PolarHBondContact O-N 2.79Å; E163-N260 PolarHBondContact OE2-ND2 2.8Å
164	V	90	Very high	78.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.1	169.1	-172.4	0	0	0	0	107.7	I162 K175 I176 F218 F244 Y246 I257 Q258 I259	I162-V164 HydrophobicContact CG2-CG2 4.43Å; V164-K175 WeakPolarHBondContact O-CA 3.48Å; V164-I176 HydrophobicContact CB-CG1 4.07Å; V164-I176 HydrophobicContact CG1-CD1 3.87Å; V164-I176 HydrophobicContact CG1-CG1 3.7Å; V164-I176 PolarHBondContact O-N 2.85Å; V164-F218 HydrophobicContact CG2-CE1 4.24Å; V164-F244 HydrophobicContact CG2-CE2 4.13Å; V164-Y246 VanDerWaalsContact CB-OH 3.24Å; V164-Y246 WeakPolarHBondContact CB-OH 3.36Å; V164-Y246 HydrophobicContact CG1-CE2 4.43Å; V164-Y246 HydrophobicContact CG2-CE2 4.4Å; V164-Y246 VanDerWaalsContact CG2-OH 3.24Å; V164-Y246 WeakPolarHBondContact CG2-OH 3.35Å; V164-I257 HydrophobicContact CG1-CG2 3.62Å; V164-Q258 CarbonylContact C-O 3.59Å; V164-Q258 WeakPolarHBondContact CA-O 3.47Å; V164-I259 HydrophobicContact CG1-CG1 4.18Å; V164-I259 HydrophobicContact CG2-CG1 4.21Å; V164-I259 HydrophobicContact CG2-CG2 4.48Å
165	L	86.5	Confident	78.9	Confident	23 Å²	23	55.7 Å²	55.7	12%	0.12	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.6	-179.6	-57.2	177.1	0	0	0	108.1	E163 I173 I174 K175 Q258	E163-L165 HydrophobicContact CG-CD2 3.8Å; E163-L165 HydrophobicContact CG-CG 4.03Å; L165-I173 HydrophobicContact CB-CG2 3.94Å; L165-I173 HydrophobicContact CD1-CG2 4.02Å; L165-I173 HydrophobicContact CD2-CG2 4.24Å; L165-I173 HydrophobicContact CG-CG2 4.28Å; L165-I174 CarbonylContact C-O 3.59Å; L165-I174 WeakPolarHBondContact CA-O 3.4Å; L165-K175 HydrophobicContact CD2-CB 3.89Å; L165-K175 HydrophobicContact CD2-CG 4.25Å; L165-Q258 HydrophobicContact CB-CB 4.26Å; L165-Q258 PolarHBondContact N-O 2.94Å; L165-Q258 PolarHBondContact O-N 2.88Å
166	L	85.5	Confident	78.9	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.1	171.6	-168.3	69	0	0	0	107.5	I173 I174 I176 F251 D255 I257	L166-I173 CarbonylContact O-C 3.57Å; L166-I173 WeakPolarHBondContact O-CA 3.25Å; L166-I174 PolarHBondContact N-O 2.73Å; L166-I174 PolarHBondContact O-N 2.79Å; L166-I176 HydrophobicContact CB-CD1 4.22Å; L166-I176 HydrophobicContact CB-CG1 4.44Å; L166-I176 HydrophobicContact CB-CG2 4Å; L166-I176 HydrophobicContact CD1-CD1 4.44Å; L166-I176 HydrophobicContact CD2-CG2 4.39Å; L166-F251 HydrophobicContact CD1-CD1 3.66Å; L166-F251 HydrophobicContact CD1-CE1 4.05Å; L166-D255 HydrophobicContact CD1-CB 3.63Å; L166-D255 HydrophobicContact CG-CB 4.18Å; L166-I257 HydrophobicContact CD1-CG1 3.92Å
167	N	76.7	Confident	79	Confident	43 Å²	43	49.7 Å²	49.7	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.4	170	-173.8	22.2	0	0	0	108.8	N171 I173 I256	N167-N171 VanDerWaalsContact OD1-C 3.3Å; N167-N171 VanDerWaalsContact OD1-CA 3.31Å; N167-N171 WeakPolarHBondContact OD1-CA 3.4Å; N167-I173 HydrophobicContact CB-CG1 4.3Å; N167-I256 HydrophobicContact CB-CB 4.34Å; N167-I256 PolarHBondContact N-O 3.37Å; N167-I256 PolarHBondContact O-N 2.7Å
168	N	65.8	Low	78.9	Confident	42 Å²	42	50.7 Å²	50.7	23%	0.225	26%	0.255	C	S	.	.			trans	-84.4	164.3	179.5	-63.2	67	0	0	0	110.4	M170 N171 N172 D255	N168-M170 PolarHBondContact O-N 3.41Å; N168-N171 PolarHBondContact O-N 2.99Å; N168-N172 PolarHBondContact N-O 3.32Å; N168-D255 WeakPolarHBondContact CA-OD1 3.44Å; N168-D255 PolarHBondContact ND2-OD1 2.93Å; N168-D255 PolarHBondContact ND2-OD2 3.29Å
169	N	52.3	Low	78.8	Confident	117 Å²	117	55.9 Å²	55.9	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-9.3	-178.4	-62.9	-52.3	0	0	0	116.4
170	M	44.4	Very low	78.7	Confident	160 Å²	160	58.1 Å²	58.1	79%	0.788	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	10.9	175	-64.3	-62.9	-150.9	0	0	113.8	N168 N172	N168-M170 PolarHBondContact O-N 3.41Å; M170-N172 PolarHBondContact O-N 2.94Å
171	N	55	Low	78.9	Confident	131 Å²	131	60.4 Å²	60.4	70%	0.701	30%	0.304	S	S	*	.	S	Bend	trans	59.6	15.5	-171.6	-68.2	-23.8	0	0	0	115.2	N167 N168 I173	N167-N171 VanDerWaalsContact OD1-C 3.3Å; N167-N171 VanDerWaalsContact OD1-CA 3.31Å; N167-N171 WeakPolarHBondContact OD1-CA 3.4Å; N168-N171 PolarHBondContact O-N 2.99Å; N171-I173 PolarHBondContact O-N 3.14Å
172	N	61.3	Low	78.9	Confident	105 Å²	105	66.1 Å²	66.1	56%	0.561	33%	0.329	S	S	*	.			trans	-80.9	117.1	173.4	-79.2	-18.6	0	0	0	109.9	N168 M170	N168-N172 PolarHBondContact N-O 3.32Å; M170-N172 PolarHBondContact O-N 2.94Å
173	I	74.4	Confident	78.8	Confident	109 Å²	109	67 Å²	67	56%	0.559	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	116.8	177.2	-59.3	172.9	0	0	0	109.2	L165 L166 N167 N171	L165-I173 HydrophobicContact CB-CG2 3.94Å; L165-I173 HydrophobicContact CD1-CG2 4.02Å; L165-I173 HydrophobicContact CD2-CG2 4.24Å; L165-I173 HydrophobicContact CG-CG2 4.28Å; L166-I173 CarbonylContact O-C 3.57Å; L166-I173 WeakPolarHBondContact O-CA 3.25Å; N167-I173 HydrophobicContact CB-CG1 4.3Å; N171-I173 PolarHBondContact O-N 3.14Å
174	I	81.5	Confident	78.7	Confident	86 Å²	86	69.3 Å²	69.3	44%	0.441	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.5	-174.7	-57.1	175	0	0	0	109.5	L165 L166 I176	L165-I174 CarbonylContact C-O 3.59Å; L165-I174 WeakPolarHBondContact CA-O 3.4Å; L166-I174 PolarHBondContact N-O 2.73Å; L166-I174 PolarHBondContact O-N 2.79Å; I174-I176 HydrophobicContact CG2-CG2 4.41Å; I174-I176 PolarHBondContact O-N 2.87Å
175	K	84.2	Confident	78.4	Confident	49 Å²	49	73.7 Å²	73.7	21%	0.213	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.6	173.5	-175.1	178.1	173.5	-172.1	0	110.7	E163 V164 L165 Y177 F218 K219 F222	E163-K175 HydrophobicContact CG-CD 4.12Å; E163-K175 HydrophobicContact CG-CG 4.3Å; V164-K175 WeakPolarHBondContact O-CA 3.48Å; L165-K175 HydrophobicContact CD2-CB 3.89Å; L165-K175 HydrophobicContact CD2-CG 4.25Å; K175-Y177 HydrophobicContact CD-CE2 4.36Å; K175-Y177 WeakPolarHBondContact CE-OH 3.39Å; K175-Y177 HydrophobicContact CG-CE2 4.33Å; K175-Y177 PolarHBondContact NZ-OH 3.17Å; K175-F218 PolarHBondContact NZ-O 3.4Å; K175-K219 PolarHBondContact NZ-O 3.27Å; K175-F222 VanDerWaalsContact NZ-CZ 3.34Å
176	I	85.6	Confident	78.3	Confident	18 Å²	18	74.1 Å²	74.1	9%	0.092	36%	0.363	C	S	.	.			trans	-112.2	129.2	-178.3	57.7	167.4	0	0	0	112.3	V164 L166 I174 Y246 F251	V164-I176 HydrophobicContact CB-CG1 4.07Å; V164-I176 HydrophobicContact CG1-CD1 3.87Å; V164-I176 HydrophobicContact CG1-CG1 3.7Å; V164-I176 PolarHBondContact O-N 2.85Å; L166-I176 HydrophobicContact CB-CD1 4.22Å; L166-I176 HydrophobicContact CB-CG1 4.44Å; L166-I176 HydrophobicContact CB-CG2 4Å; L166-I176 HydrophobicContact CD1-CD1 4.44Å; L166-I176 HydrophobicContact CD2-CG2 4.39Å; I174-I176 HydrophobicContact CG2-CG2 4.41Å; I174-I176 PolarHBondContact O-N 2.87Å; I176-Y246 HydrophobicContact CB-CE1 4Å; I176-Y246 HydrophobicContact CD1-CD1 4.08Å; I176-Y246 HydrophobicContact CD1-CE1 3.72Å; I176-Y246 HydrophobicContact CG1-CE1 3.77Å; I176-Y246 PolarHBondContact O-OH 3.39Å; I176-F251 HydrophobicContact CD1-CE1 3.59Å; I176-F251 HydrophobicContact CD1-CZ 4.11Å
177	Y	87.8	Confident	77.7	Confident	123 Å²	123	80.1 Å²	80.1	48%	0.482	40%	0.395	S	S	.	.			trans	-93.7	139.7	179.8	-65.8	-91	0	0	0	111.3	K175 F218 Y246	K175-Y177 HydrophobicContact CD-CE2 4.36Å; K175-Y177 WeakPolarHBondContact CE-OH 3.39Å; K175-Y177 HydrophobicContact CG-CE2 4.33Å; K175-Y177 PolarHBondContact NZ-OH 3.17Å; Y177-F218 HydrophobicContact CD1-CB 4.41Å; Y177-F218 VanDerWaalsContact CE1-O 3.28Å; Y177-F218 WeakPolarHBondContact CE1-O 3.12Å; Y177-Y246 VanDerWaalsContact O-CE1 3.24Å; Y177-Y246 WeakPolarHBondContact O-CE1 3.35Å
178	P	88.2	Confident	76.2	Confident	20 Å²	20	85.1 Å²	85.1	13%	0.13	42%	0.417	C	S	.	.			trans	-68.8	143.9	-179.6	29.2	-35.5	0	0	0	111.4	I181 F218 F244 T245 Y246	P178-I181 HydrophobicContact CB-CG1 4.33Å; P178-I181 HydrophobicContact CG-CD1 3.89Å; P178-I181 HydrophobicContact CG-CG1 3.61Å; P178-F218 HydrophobicContact CG-CD1 4.14Å; P178-F218 HydrophobicContact CG-CD2 4.27Å; P178-F218 HydrophobicContact CG-CE1 4.02Å; P178-F218 HydrophobicContact CG-CE2 4.15Å; P178-F218 HydrophobicContact CG-CG 4.27Å; P178-F218 HydrophobicContact CG-CZ 4.03Å; P178-F244 HydrophobicContact CB-CB 3.95Å; P178-F244 HydrophobicContact CB-CD2 4.48Å; P178-F244 HydrophobicContact CG-CB 4.28Å; P178-T245 CarbonylContact C-O 3.5Å; P178-T245 WeakPolarHBondContact CA-O 3.47Å; P178-T245 WeakPolarHBondContact CB-O 3.23Å; P178-Y246 HydrophobicContact CB-CE1 4.36Å; P178-Y246 HydrophobicContact CB-CE2 4.07Å
179	H	87.1	Confident	74.5	Confident	110 Å²	110	90.4 Å²	90.4	51%	0.509	45%	0.445	S	S	.	.	S	Bend	trans	-68.3	-36.1	177	178.6	49.6	0	0	0	112.6	T245 L247	H179-T245 PolarHBondContact N-O 2.78Å; H179-L247 HydrophobicContact CB-CG 4.15Å
180	T	88	Confident	73.3	Confident	46 Å²	46	91.4 Å²	91.4	28%	0.282	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.9	169.2	76.7	0	0	0	0	111.4	F244 T245	T180-F244 CarbonylContact O-C 3.45Å; T180-F244 VanDerWaalsContact O-CA 3.32Å; T180-F244 WeakPolarHBondContact O-CA 3.37Å; T180-T245 PolarHBondContact N-OG1 2.86Å; T180-T245 PolarHBondContact O-N 2.96Å; T180-T245 PolarHBondContact OG1-OG1 3.07Å
181	I	89.9	Confident	72.3	Confident	52 Å²	52	89.9 Å²	89.9	27%	0.267	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.6	169.9	-52.3	162.6	0	0	0	107.9	P178 I183 F218 Q243 F244	P178-I181 HydrophobicContact CB-CG1 4.33Å; P178-I181 HydrophobicContact CG-CD1 3.89Å; P178-I181 HydrophobicContact CG-CG1 3.61Å; I181-I183 HydrophobicContact CG2-CG1 4.44Å; I181-F218 HydrophobicContact CD1-CD2 3.48Å; I181-F218 VanDerWaalsContact CD1-CD2 3.48Å; I181-F218 HydrophobicContact CD1-CE2 3.71Å; I181-F218 HydrophobicContact CD1-CG 4.42Å; I181-F218 HydrophobicContact CG1-CD2 4.27Å; I181-F218 HydrophobicContact CG1-CE2 4Å; I181-F218 HydrophobicContact CG2-CE2 4.39Å; I181-Q243 CarbonylContact C-O 3.57Å; I181-Q243 WeakPolarHBondContact CA-O 3.42Å; I181-F244 HydrophobicContact CG1-CB 4.45Å
182	K	89.6	Confident	71.1	Confident	119 Å²	119	92.6 Å²	92.6	52%	0.517	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.5	175.3	-61.3	-179.4	-178	179.5	0	109.1	Y184 Q243	K182-Y184 HydrophobicContact CB-CD1 4.23Å; K182-Y184 HydrophobicContact CB-CE1 4.26Å; K182-Q243 HydrophobicContact CB-CB 4.34Å; K182-Q243 PolarHBondContact N-O 3.03Å; K182-Q243 PolarHBondContact O-N 3.13Å
183	I	89.7	Confident	69.4	Low	18 Å²	18	94.6 Å²	94.6	9%	0.092	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.2	177.1	-54.6	174.4	0	0	0	108.9	I181 I212 L217 W231 L240 R241 I242	I181-I183 HydrophobicContact CG2-CG1 4.44Å; I183-I212 HydrophobicContact CB-CB 4.08Å; I183-I212 HydrophobicContact CB-CG2 4.15Å; I183-I212 HydrophobicContact CD1-CG2 4.4Å; I183-I212 HydrophobicContact CG2-CB 3.88Å; I183-I212 HydrophobicContact CG2-CD1 4.02Å; I183-I212 HydrophobicContact CG2-CG2 3.69Å; I183-L217 HydrophobicContact CD1-CD2 4.24Å; I183-W231 HydrophobicContact CD1-CZ2 3.91Å; I183-W231 HydrophobicContact CG2-CZ2 4.38Å; I183-L240 HydrophobicContact CG2-CD1 4.07Å; I183-R241 WeakPolarHBondContact CA-O 3.47Å; I183-I242 HydrophobicContact CD1-CG1 4.42Å; I183-I242 HydrophobicContact CG1-CB 4.5Å; I183-I242 HydrophobicContact CG1-CG1 4.21Å; I183-I242 HydrophobicContact CG1-CG2 4.29Å; I183-I242 HydrophobicContact CG2-CG1 4.33Å
184	Y	88.3	Confident	67.3	Low	78 Å²	78	94.9 Å²	94.9	31%	0.306	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.3	-175.2	54.1	-88.6	0	0	0	112.7	K182 L240 R241 Q243	K182-Y184 HydrophobicContact CB-CD1 4.23Å; K182-Y184 HydrophobicContact CB-CE1 4.26Å; Y184-L240 CarbonylContact O-C 3.44Å; Y184-L240 WeakPolarHBondContact O-CA 3.24Å; Y184-R241 HydrophobicContact CD2-CB 4.37Å; Y184-R241 HydrophobicContact CE1-CG 4.34Å; Y184-R241 HydrophobicContact CE2-CB 4.13Å; Y184-R241 HydrophobicContact CE2-CG 4.23Å; Y184-R241 PolarHBondContact N-O 3.3Å; Y184-R241 PolarHBondContact O-N 3.04Å; Y184-R241 WeakPolarHBondContact OH-CD 3.41Å; Y184-Q243 HydrophobicContact CE1-CB 3.92Å; Y184-Q243 PolarHBondContact OH-OE1 2.88Å
185	K	85.6	Confident	64.7	Low	93 Å²	93	97.8 Å²	97.8	40%	0.404	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.9	177.3	-173.2	156.5	-166.6	161.4	0	111	N187 H236 H237 L238	K185-N187 PolarHBondContact O-N 2.88Å; K185-H236 PolarHBondContact NZ-O 3.47Å; K185-H237 WeakPolarHBondContact CD-O 3.02Å; K185-H237 WeakPolarHBondContact CE-O 3.4Å; K185-H237 WeakPolarHBondContact CG-O 3.41Å; K185-L238 WeakPolarHBondContact CE-O 3.49Å; K185-L238 PolarHBondContact NZ-O 3.17Å
186	I	84.3	Confident	62.2	Low	31 Å²	31	102.3 Å²	102.3	16%	0.159	53%	0.528	C	S	.	.			trans	-85.9	110.2	178.1	-55.4	174	0	0	0	108.7	D146 H188 P239 R241	D146-I186 HydrophobicContact CB-CD1 3.77Å; I186-H188 PolarHBondContact O-N 2.87Å; I186-P239 HydrophobicContact CB-CB 4.41Å; I186-P239 HydrophobicContact CB-CG 4.21Å; I186-P239 HydrophobicContact CD1-CB 4.42Å; I186-P239 PolarHBondContact N-O 3.33Å; I186-R241 HydrophobicContact CD1-CB 4.01Å; I186-R241 HydrophobicContact CG1-CB 3.78Å
187	N	72	Confident	59.5	Low	132 Å²	132	107 Å²	107	71%	0.706	56%	0.558	S	S	*	*			trans	-83.6	112.9	175.4	-70.9	-14.9	0	0	0	110.2	K185 N189	K185-N187 PolarHBondContact O-N 2.88Å; N187-N189 VanDerWaalsContact C-N 3.32Å; N187-N189 PolarHBondContact O-N 3.3Å
188	H	44.3	Very low	56.7	Low	149 Å²	149	106.5 Å²	106.5	69%	0.69	57%	0.568	S	S	*	*			trans	-73.2	78.9	172.9	-72.7	-69.7	0	0	0	111.3	I186	I186-H188 PolarHBondContact O-N 2.87Å
189	N	30.1	Very low	54	Low	152 Å²	152	113 Å²	113	81%	0.813	60%	0.602	S	S	*	*			trans	-161.7	58.8	173.4	-104.5	-17.5	0	0	0	114	N187	N187-N189 VanDerWaalsContact C-N 3.32Å; N187-N189 PolarHBondContact O-N 3.3Å
190	T	28.3	Very low	51.3	Low	139 Å²	139	115.6 Å²	115.6	85%	0.853	62%	0.619	S	S	*	*			trans	-146.7	64.3	166.7	30	0	0	0	0	112.1
191	T	23.8	Very low	48.6	Very low	127 Å²	127	119 Å²	119	78%	0.779	65%	0.645	S	S	*	*			trans	-130	87	167.1	38.9	0	0	0	0	110
192	H	29.5	Very low	45.6	Very low	188 Å²	188	122.3 Å²	122.3	87%	0.87	67%	0.673	S	S	*	*			trans	-172	159.4	150.5	-99.2	-51.8	0	0	0	113.3
193	N	25.9	Very low	42.8	Very low	148 Å²	148	121.7 Å²	121.7	79%	0.791	68%	0.683	S	S	*	*			trans	-65.7	147.5	169.6	-40.1	-46.8	0	0	0	110.9
194	S	30.2	Very low	39.8	Very low	114 Å²	114	128 Å²	128	80%	0.797	72%	0.717	S	S	*	*				-173.9	144.3	119.8	55.5	0	0	0	0	112.4
195	N	26.8	Very low	37	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	74%	0.738	S	S	*	*			trans	-71.3	179.1	161.3	-61.9	-29.8	0	0	0	110.8
196	N	32	Very low	34.2	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	76%	0.76	S	S	*	*			trans	92.8	90.7	160.9	-57	-4.6	0	0	0	118.2
197	T	29.1	Very low	31.5	Very low	116 Å²	116	138.7 Å²	138.7	71%	0.712	78%	0.782	S	S	*	*				51.6	117.2	120.1	59.2	0	0	0	0	120.8
198	T	27.9	Very low	29.4	Very low	113 Å²	113	140 Å²	140	69%	0.693	79%	0.789	S	S	*	*			trans	54.8	113.3	135.5	62	0	0	0	0	119.4
199	N	32.6	Very low	29	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	80%	0.796	S	S	*	*				-168.9	158.3	94.1	-95.4	-41.6	0	0	0	112.8
200	N	28.8	Very low	29.4	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	78%	0.779	S	S	*	*			trans	-78.9	134.5	179.2	-65.1	-28.9	0	0	0	111.9
201	S	32.1	Very low	30.4	Very low	118 Å²	118	138 Å²	138	83%	0.825	78%	0.78	S	S	*	*			trans	-154.8	135.4	143.2	55.4	0	0	0	0	110.3
202	S	27	Very low	32.2	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	75%	0.745	S	S	*	*			trans	-89.6	123.5	-177.2	52.7	0	0	0	0	111.5
203	S	30.7	Very low	34.2	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	72%	0.722	S	S	*	*			trans	-146.3	148.5	161.7	53	0	0	0	0	109.7
204	N	26.9	Very low	36.7	Very low	150 Å²	150	121.3 Å²	121.3	80%	0.802	70%	0.699	S	S	*	*			trans	-93.9	120.2	-170.6	-62.1	-39.2	0	0	0	111.1
205	D	28.3	Very low	38.7	Very low	139 Å²	139	121.1 Å²	121.1	74%	0.743	69%	0.689	S	S	*	*			trans	-121	80.7	166.3	-94.7	-42.8	0	0	0	111	T207	D205-T207 PolarHBondContact O-N 3.1Å; D205-T207 VanDerWaalsContact O-N 3.14Å
206	H	27.5	Very low	41.3	Very low	185 Å²	185	115.4 Å²	115.4	86%	0.856	66%	0.658	S	S	*	*			trans	-79.9	80.9	167.4	-83.1	-64.6	0	0	0	110.2
207	T	28.7	Very low	43.9	Very low	104 Å²	104	108.6 Å²	108.6	64%	0.638	62%	0.621	S	S	*	*			trans	-114.1	91.5	-178.3	60.5	0	0	0	0	114	D205	D205-T207 PolarHBondContact O-N 3.1Å; D205-T207 VanDerWaalsContact O-N 3.14Å
208	N	27.5	Very low	46.6	Very low	158 Å²	158	103.7 Å²	103.7	85%	0.845	59%	0.591	S	S	*	*			trans	55.1	63.3	146.9	-61.2	-22.4	0	0	0	119.5	S210	N208-S210 PolarHBondContact O-N 2.78Å
209	T	34.4	Very low	48.9	Very low	137 Å²	137	103.4 Å²	103.4	84%	0.84	58%	0.579	S	S	*	*			trans	-79.8	95.7	151.4	53.1	0	0	0	0	110	F211	T209-F211 PolarHBondContact O-N 3.29Å
210	S	40	Very low	50.2	Low	65 Å²	65	100.4 Å²	100.4	46%	0.455	57%	0.571	S	S	.	*			trans	-61.4	117.4	173.7	59.6	0	0	0	0	110.4	N208 I212 H237	N208-S210 PolarHBondContact O-N 2.78Å; S210-I212 PolarHBondContact O-N 3.11Å; S210-H237 PolarHBondContact OG-CE1 2.85Å; S210-H237 PolarHBondContact OG-ND1 3.26Å
211	F	47.9	Very low	52	Low	198 Å²	198	94.3 Å²	94.3	87%	0.868	54%	0.541	S	S	*	.			trans	-69.2	110.8	-177.8	-163.7	-88.2	0	0	0	110.4	T209	T209-F211 PolarHBondContact O-N 3.29Å
212	I	63	Low	53.9	Low	9 Å²	9	88.8 Å²	88.8	5%	0.046	50%	0.502	C	S	.	.			trans	-95.7	119.3	176.9	-61.7	164.2	0	0	0	107.7	I183 S210 W231 T233 H237	I183-I212 HydrophobicContact CB-CB 4.08Å; I183-I212 HydrophobicContact CB-CG2 4.15Å; I183-I212 HydrophobicContact CD1-CG2 4.4Å; I183-I212 HydrophobicContact CG2-CB 3.88Å; I183-I212 HydrophobicContact CG2-CD1 4.02Å; I183-I212 HydrophobicContact CG2-CG2 3.69Å; S210-I212 PolarHBondContact O-N 3.11Å; I212-W231 HydrophobicContact CG2-CZ2 4.25Å; I212-T233 WeakPolarHBondContact CG2-OG1 3.45Å; I212-H237 HydrophobicContact CD1-CB 3.74Å
213	P	71.3	Confident	55.9	Low	61 Å²	61	89.3 Å²	89.3	40%	0.396	49%	0.487	S	S	.	.			trans	-65.1	141.8	179.9	25.9	-33.4	0	0	0	111.6	D215 W231	P213-D215 WeakPolarHBondContact CB-OD2 3.23Å; P213-W231 PolarHBondContact O-NE1 2.83Å
214	S	78	Confident	57.7	Low	42 Å²	42	85.4 Å²	85.4	29%	0.294	46%	0.458	S	S	.	.			trans	-97.4	13.1	172.8	59.1	0	0	0	0	113	L217	S214-L217 WeakPolarHBondContact O-CB 3.26Å; S214-L217 PolarHBondContact O-N 3.16Å
215	D	73.3	Confident	59.9	Low	110 Å²	110	82.4 Å²	82.4	59%	0.588	45%	0.445	S	S	*	.			trans	-57.9	151.3	-179.8	-64.4	-58.3	0	0	0	111.6	P213 L217	P213-D215 WeakPolarHBondContact CB-OD2 3.23Å; D215-L217 PolarHBondContact O-N 3.08Å
216	N	79.7	Confident	62.1	Low	27 Å²	27	78.8 Å²	78.8	14%	0.144	43%	0.426	C	S	.	.	S	Bend	trans	63.5	-29.7	-174.1	-61.7	-21.5	0	0	0	116.6	F218 K219 Q228 D229 M230	N216-F218 PolarHBondContact O-N 3.33Å; N216-K219 HydrophobicContact CB-CD 4.49Å; N216-K219 WeakPolarHBondContact O-CB 3.38Å; N216-K219 PolarHBondContact O-N 3.09Å; N216-K219 WeakPolarHBondContact OD1-CD 3.32Å; N216-K219 VanDerWaalsContact OD1-CE 3.28Å; N216-K219 WeakPolarHBondContact OD1-CE 3.41Å; N216-K219 PolarHBondContact OD1-NZ 3.09Å; N216-Q228 PolarHBondContact ND2-O 3.06Å; N216-D229 WeakPolarHBondContact CB-O 3.4Å; N216-D229 VanDerWaalsContact ND2-C 3.32Å; N216-M230 PolarHBondContact ND2-O 3.47Å
217	L	86.9	Confident	64.2	Low	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.3	-164.9	-173.7	64	0	0	0	115.4	L159 G161 I162 I183 S214 D215 W231 I242	L159-L217 HydrophobicContact CD1-CD1 4.37Å; G161-L217 CarbonylContact C-O 3.54Å; G161-L217 VanDerWaalsContact CA-O 3.24Å; G161-L217 WeakPolarHBondContact CA-O 3.39Å; I162-L217 HydrophobicContact CD1-CD1 3.92Å; I162-L217 HydrophobicContact CD1-CD2 4.16Å; I162-L217 HydrophobicContact CD1-CG 4.07Å; I162-L217 HydrophobicContact CG1-CD1 3.91Å; I162-L217 HydrophobicContact CG1-CG 4.28Å; I162-L217 PolarHBondContact N-O 2.83Å; I183-L217 HydrophobicContact CD1-CD2 4.24Å; S214-L217 WeakPolarHBondContact O-CB 3.26Å; S214-L217 PolarHBondContact O-N 3.16Å; D215-L217 PolarHBondContact O-N 3.08Å; L217-W231 HydrophobicContact CB-CB 4.16Å; L217-W231 HydrophobicContact CB-CG 4.14Å; L217-W231 HydrophobicContact CD1-CB 3.91Å; L217-W231 HydrophobicContact CD1-CD2 3.99Å; L217-W231 HydrophobicContact CD1-CE3 4.13Å; L217-W231 HydrophobicContact CD1-CG 3.88Å; L217-W231 HydrophobicContact CG-CG 4.48Å; L217-I242 HydrophobicContact CD1-CD1 4.4Å; L217-I242 HydrophobicContact CD2-CD1 3.98Å; L217-I242 HydrophobicContact CD2-CG2 3.7Å
218	F	85.6	Confident	66.5	Low	14 Å²	14	77.6 Å²	77.6	6%	0.061	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	9.5	177.4	-70.2	-94.6	0	0	0	114.4	I162 V164 K175 Y177 P178 I181 N216 F244	I162-F218 HydrophobicContact CB-CD1 4.23Å; I162-F218 HydrophobicContact CB-CE1 3.84Å; I162-F218 HydrophobicContact CB-CZ 4.05Å; I162-F218 HydrophobicContact CD1-CZ 4.19Å; I162-F218 HydrophobicContact CG2-CD1 4.4Å; I162-F218 HydrophobicContact CG2-CE1 3.69Å; I162-F218 HydrophobicContact CG2-CZ 4.08Å; I162-F218 VanDerWaalsContact O-CD1 3.22Å; I162-F218 WeakPolarHBondContact O-CD1 3.38Å; V164-F218 HydrophobicContact CG2-CE1 4.24Å; K175-F218 PolarHBondContact NZ-O 3.4Å; Y177-F218 HydrophobicContact CD1-CB 4.41Å; Y177-F218 VanDerWaalsContact CE1-O 3.28Å; Y177-F218 WeakPolarHBondContact CE1-O 3.12Å; P178-F218 HydrophobicContact CG-CD1 4.14Å; P178-F218 HydrophobicContact CG-CD2 4.27Å; P178-F218 HydrophobicContact CG-CE1 4.02Å; P178-F218 HydrophobicContact CG-CE2 4.15Å; P178-F218 HydrophobicContact CG-CG 4.27Å; P178-F218 HydrophobicContact CG-CZ 4.03Å; I181-F218 HydrophobicContact CD1-CD2 3.48Å; I181-F218 VanDerWaalsContact CD1-CD2 3.48Å; I181-F218 HydrophobicContact CD1-CE2 3.71Å; I181-F218 HydrophobicContact CD1-CG 4.42Å; I181-F218 HydrophobicContact CG1-CD2 4.27Å; I181-F218 HydrophobicContact CG1-CE2 4Å; I181-F218 HydrophobicContact CG2-CE2 4.39Å; N216-F218 PolarHBondContact O-N 3.33Å; F218-F244 HydrophobicContact CE1-CD2 4.25Å; F218-F244 HydrophobicContact CE1-CG 4.47Å; F218-F244 HydrophobicContact CE2-CB 4.42Å; F218-F244 HydrophobicContact CZ-CB 3.91Å; F218-F244 HydrophobicContact CZ-CD1 4.06Å; F218-F244 AromaticContact CZ-CD2 3.97Å; F218-F244 HydrophobicContact CZ-CD2 3.97Å; F218-F244 HydrophobicContact CZ-CE2 4.48Å; F218-F244 AromaticContact CZ-CG 3.74Å; F218-F244 HydrophobicContact CZ-CG 3.74Å
219	K	76.9	Confident	68.7	Low	106 Å²	106	72.2 Å²	72.2	46%	0.461	38%	0.383	S	S	.	.	S	Bend	trans	-62.9	171	179.6	-74.5	-173.2	-177.5	170.3	0	112.2	K175 N216 F222	K175-K219 PolarHBondContact NZ-O 3.27Å; N216-K219 HydrophobicContact CB-CD 4.49Å; N216-K219 WeakPolarHBondContact O-CB 3.38Å; N216-K219 PolarHBondContact O-N 3.09Å; N216-K219 WeakPolarHBondContact OD1-CD 3.32Å; N216-K219 VanDerWaalsContact OD1-CE 3.28Å; N216-K219 WeakPolarHBondContact OD1-CE 3.41Å; N216-K219 PolarHBondContact OD1-NZ 3.09Å; K219-F222 WeakPolarHBondContact O-CE1 3.29Å; K219-F222 VanDerWaalsContact O-CE2 3.3Å; K219-F222 WeakPolarHBondContact O-CE2 3.41Å; K219-F222 WeakPolarHBondContact O-CZ 3.45Å
220	S	59.6	Low	71	Confident	94 Å²	94	66 Å²	66	66%	0.657	34%	0.344	S	S	*	.	S	Bend	trans	-79.9	-15	-179.1	43.8	0	0	0	0	114.6	F222	S220-F222 PolarHBondContact O-N 3.4Å
221	S	66.5	Low	73.3	Confident	36 Å²	36	63 Å²	63	25%	0.252	32%	0.324	S	S	.	.			trans	-79.9	34.1	-170.2	41.7	0	0	0	0	114.9	Y223 T224	S221-Y223 PolarHBondContact O-N 3.31Å; S221-T224 WeakPolarHBondContact O-CB 3.5Å; S221-T224 WeakPolarHBondContact O-CG2 3.36Å; S221-T224 PolarHBondContact O-N 2.93Å
222	F	71.8	Confident	75.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.009	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.2	-173.9	-56.7	-62.1	0	0	0	115.2	N160 I162 E163 K175 K219 S220 T224 W262	N160-F222 PolarHBondContact ND2-O 2.93Å; I162-F222 WeakPolarHBondContact O-CE1 3.4Å; I162-F222 WeakPolarHBondContact O-CZ 3.48Å; E163-F222 HydrophobicContact CB-CD2 4.28Å; E163-F222 HydrophobicContact CB-CE1 4.2Å; E163-F222 HydrophobicContact CB-CE2 3.51Å; E163-F222 HydrophobicContact CB-CZ 3.44Å; E163-F222 VanDerWaalsContact CB-CZ 3.44Å; E163-F222 VanDerWaalsContact CD-CE2 3.45Å; E163-F222 HydrophobicContact CG-CD2 4.35Å; E163-F222 HydrophobicContact CG-CE2 3.46Å; E163-F222 VanDerWaalsContact CG-CE2 3.46Å; E163-F222 HydrophobicContact CG-CZ 3.79Å; E163-F222 VanDerWaalsContact OE1-CE2 3.3Å; E163-F222 WeakPolarHBondContact OE1-CE2 3.39Å; K175-F222 VanDerWaalsContact NZ-CZ 3.34Å; K219-F222 WeakPolarHBondContact O-CE1 3.29Å; K219-F222 VanDerWaalsContact O-CE2 3.3Å; K219-F222 WeakPolarHBondContact O-CE2 3.41Å; K219-F222 WeakPolarHBondContact O-CZ 3.45Å; S220-F222 PolarHBondContact O-N 3.4Å; F222-T224 VanDerWaalsContact C-N 3.26Å; F222-T224 PolarHBondContact O-N 3.26Å; F222-W262 HydrophobicContact CB-CD2 3.81Å; F222-W262 HydrophobicContact CB-CE3 4.4Å; F222-W262 HydrophobicContact CB-CG 3.84Å; F222-W262 AromaticContact CD1-CD1 3.54Å; F222-W262 HydrophobicContact CD1-CG 4.1Å; F222-W262 AromaticContact CD1-NE1 3.97Å; F222-W262 AromaticContact CD2-NE1 3.86Å; F222-W262 AromaticContact CG-CD1 3.65Å; F222-W262 HydrophobicContact CG-CD2 4.39Å; F222-W262 HydrophobicContact CG-CG 4.12Å; F222-W262 AromaticContact CG-NE1 3.63Å
223	Y	69.6	Low	76.2	Confident	134 Å²	134	55 Å²	55	53%	0.525	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.5	177.6	-54.5	-76.4	0	0	0	113.9	S221 W262 I316	S221-Y223 PolarHBondContact O-N 3.31Å; Y223-W262 HydrophobicContact CD1-CH2 4.33Å; Y223-W262 HydrophobicContact CD1-CZ3 4.14Å; Y223-W262 AromaticContact CE1-CH2 3.39Å; Y223-W262 HydrophobicContact CE1-CH2 3.39Å; Y223-W262 HydrophobicContact CE1-CZ2 4.29Å; Y223-W262 AromaticContact CE1-CZ3 3.59Å; Y223-W262 HydrophobicContact CE1-CZ3 3.59Å; Y223-W262 AromaticContact CZ-CH2 3.59Å; Y223-W262 WeakPolarHBondContact OH-CH2 3.37Å; Y223-I316 HydrophobicContact CD1-CG2 3.71Å; Y223-I316 HydrophobicContact CE1-CG2 3.55Å
224	T	68.9	Low	77	Confident	22 Å²	22	53.7 Å²	53.7	14%	0.135	28%	0.281	C	S	.	.			trans	-65.1	144.2	-175.9	-165.8	0	0	0	0	112.8	N160 S221 F222 N226 D229 M230	N160-T224 PolarHBondContact ND2-O 2.82Å; S221-T224 WeakPolarHBondContact O-CB 3.5Å; S221-T224 WeakPolarHBondContact O-CG2 3.36Å; S221-T224 PolarHBondContact O-N 2.93Å; F222-T224 VanDerWaalsContact C-N 3.26Å; F222-T224 PolarHBondContact O-N 3.26Å; T224-N226 WeakPolarHBondContact OG1-CB 3.47Å; T224-N226 PolarHBondContact OG1-N 2.98Å; T224-D229 HydrophobicContact CG2-CB 3.53Å; T224-D229 PolarHBondContact OG1-OD2 3.47Å; T224-M230 HydrophobicContact CG2-CE 4.42Å; T224-M230 HydrophobicContact CG2-CG 4.35Å
225	T	72.1	Confident	77.3	Confident	87 Å²	87	53.9 Å²	53.9	53%	0.534	28%	0.279	S	S	.	.			trans	-104.1	-3.2	163.9	55.3	0	0	0	0	112.1	M230 L265 N266	T225-M230 VanDerWaalsContact C-CE 3.45Å; T225-M230 WeakPolarHBondContact O-CE 3.32Å; T225-L265 HydrophobicContact CG2-CB 4.45Å; T225-N266 PolarHBondContact O-ND2 2.8Å
226	N	75.2	Confident	77.8	Confident	63 Å²	63	54.8 Å²	54.8	34%	0.337	28%	0.279	S	S	.	.			trans	-75.9	124.5	177.7	176.6	20.8	0	0	0	111.3	T224 Q228 D229	T224-N226 WeakPolarHBondContact OG1-CB 3.47Å; T224-N226 PolarHBondContact OG1-N 2.98Å; N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 PolarHBondContact OD1-N 3.29Å; N226-Q228 VanDerWaalsContact OD1-N 3.13Å; N226-D229 WeakPolarHBondContact CB-OD2 3.49Å; N226-D229 PolarHBondContact ND2-OD2 3.19Å; N226-D229 PolarHBondContact O-N 3.49Å
227	F	71.7	Confident	78	Confident	113 Å²	113	54.6 Å²	54.6	50%	0.496	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.3	178.8	-176	-85.5	0	0	0	113.4	D229 M230 L232 L269	F227-D229 VanDerWaalsContact C-N 3.27Å; F227-D229 PolarHBondContact O-N 3.13Å; F227-M230 PolarHBondContact O-N 3.4Å; F227-L232 HydrophobicContact CD1-CD1 4.18Å; F227-L232 HydrophobicContact CD2-CD1 3.8Å; F227-L232 HydrophobicContact CE1-CD1 3.81Å; F227-L232 HydrophobicContact CE2-CD1 3.4Å; F227-L232 HydrophobicContact CG-CD1 4.19Å; F227-L232 HydrophobicContact CZ-CD1 3.41Å; F227-L232 VanDerWaalsContact CZ-CD1 3.41Å; F227-L269 HydrophobicContact CD2-CD1 3.95Å; F227-L269 HydrophobicContact CD2-CD2 4.2Å; F227-L269 HydrophobicContact CE2-CD2 4.48Å
228	Q	76.5	Confident	77.9	Confident	151 Å²	151	55.7 Å²	55.7	71%	0.706	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-72	-20.6	-178.9	-60.4	177	-20.8	0	0	113.6	N216 N226	N216-Q228 PolarHBondContact ND2-O 3.06Å; N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 PolarHBondContact OD1-N 3.29Å; N226-Q228 VanDerWaalsContact OD1-N 3.13Å
229	D	75.2	Confident	78	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.241	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-96.4	-1.6	-178.9	-64.9	-55.5	0	0	0	113	N216 T224 N226 F227	N216-D229 WeakPolarHBondContact CB-O 3.4Å; N216-D229 VanDerWaalsContact ND2-C 3.32Å; T224-D229 HydrophobicContact CG2-CB 3.53Å; T224-D229 PolarHBondContact OG1-OD2 3.47Å; N226-D229 WeakPolarHBondContact CB-OD2 3.49Å; N226-D229 PolarHBondContact ND2-OD2 3.19Å; N226-D229 PolarHBondContact O-N 3.49Å; F227-D229 VanDerWaalsContact C-N 3.27Å; F227-D229 PolarHBondContact O-N 3.13Å
230	M	81.9	Confident	78.7	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.03	27%	0.267	C	S	.	.	S	Bend	trans	-92.1	154.6	-177.3	-68.9	171.9	-172.8	0	0	111.8	N160 N216 T224 T225 F227 L232 F264 N266 L269	N160-M230 WeakPolarHBondContact OD1-CE 3.48Å; N216-M230 PolarHBondContact ND2-O 3.47Å; T224-M230 HydrophobicContact CG2-CE 4.42Å; T224-M230 HydrophobicContact CG2-CG 4.35Å; T225-M230 VanDerWaalsContact C-CE 3.45Å; T225-M230 WeakPolarHBondContact O-CE 3.32Å; F227-M230 PolarHBondContact O-N 3.4Å; M230-L232 HydrophobicContact CB-CD1 4.37Å; M230-F264 HydrophobicContact CB-CE1 3.78Å; M230-F264 HydrophobicContact CB-CZ 4.19Å; M230-F264 HydrophobicContact CG-CD1 4.33Å; M230-F264 HydrophobicContact CG-CE1 3.82Å; M230-F264 HydrophobicContact CG-CZ 4.5Å; M230-F264 HydrophobicContact SD-CD1 4Å; M230-F264 HydrophobicContact SD-CE1 3.74Å; M230-F264 HydrophobicContact SD-CZ 4.13Å; M230-N266 HydrophobicContact CE-CB 3.97Å; M230-L269 HydrophobicContact CE-CD1 4.07Å; M230-L269 HydrophobicContact SD-CD1 3.45Å; M230-L269 WeakPolarHBondContact SD-CD1 3.45Å
231	W	87.3	Confident	80.2	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.3	166.8	178.1	75.4	0	0	0	110.4	I147 G158 L159 I183 I212 P213 L217 T233 L240 I242	I147-W231 HydrophobicContact CD1-CZ3 4.35Å; G158-W231 CarbonylContact C-O 3.43Å; G158-W231 WeakPolarHBondContact CA-O 3.44Å; L159-W231 HydrophobicContact CB-CE3 4.26Å; L159-W231 HydrophobicContact CG-CE3 4.42Å; L159-W231 PolarHBondContact N-O 3.22Å; L159-W231 PolarHBondContact O-N 3.35Å; I183-W231 HydrophobicContact CD1-CZ2 3.91Å; I183-W231 HydrophobicContact CG2-CZ2 4.38Å; I212-W231 HydrophobicContact CG2-CZ2 4.25Å; P213-W231 PolarHBondContact O-NE1 2.83Å; L217-W231 HydrophobicContact CB-CB 4.16Å; L217-W231 HydrophobicContact CB-CG 4.14Å; L217-W231 HydrophobicContact CD1-CB 3.91Å; L217-W231 HydrophobicContact CD1-CD2 3.99Å; L217-W231 HydrophobicContact CD1-CE3 4.13Å; L217-W231 HydrophobicContact CD1-CG 3.88Å; L217-W231 HydrophobicContact CG-CG 4.48Å; W231-T233 HydrophobicContact CH2-CG2 3.53Å; W231-T233 HydrophobicContact CZ2-CG2 3.71Å; W231-T233 HydrophobicContact CZ3-CG2 4.29Å; W231-L240 HydrophobicContact CH2-CD1 4.1Å; W231-L240 HydrophobicContact CH2-CD2 4.33Å; W231-I242 HydrophobicContact CE3-CD1 4.48Å; W231-I242 HydrophobicContact CH2-CD1 3.89Å; W231-I242 HydrophobicContact CH2-CG1 4.48Å; W231-I242 HydrophobicContact CZ2-CD1 4.33Å; W231-I242 HydrophobicContact CZ3-CD1 3.97Å
232	L	87	Confident	81.6	Confident	34 Å²	34	47.4 Å²	47.4	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.1	-173	-79.8	160.1	0	0	0	110.9	F227 M230 F264 I272	F227-L232 HydrophobicContact CD1-CD1 4.18Å; F227-L232 HydrophobicContact CD2-CD1 3.8Å; F227-L232 HydrophobicContact CE1-CD1 3.81Å; F227-L232 HydrophobicContact CE2-CD1 3.4Å; F227-L232 HydrophobicContact CG-CD1 4.19Å; F227-L232 HydrophobicContact CZ-CD1 3.41Å; F227-L232 VanDerWaalsContact CZ-CD1 3.41Å; M230-L232 HydrophobicContact CB-CD1 4.37Å; L232-F264 HydrophobicContact CD2-CE2 3.88Å; L232-F264 HydrophobicContact CD2-CZ 3.62Å; L232-F264 HydrophobicContact CG-CZ 4Å; L232-I272 HydrophobicContact CD2-CG2 3.63Å
233	T	86.8	Confident	82.6	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.2	178.2	-168.1	0	0	0	0	111.9	I157 I212 W231 I235 H237 L240	I157-T233 HydrophobicContact CG2-CG2 3.62Å; I157-T233 PolarHBondContact N-O 2.79Å; I157-T233 PolarHBondContact O-N 2.94Å; I212-T233 WeakPolarHBondContact CG2-OG1 3.45Å; W231-T233 HydrophobicContact CH2-CG2 3.53Å; W231-T233 HydrophobicContact CZ2-CG2 3.71Å; W231-T233 HydrophobicContact CZ3-CG2 4.29Å; T233-I235 PolarHBondContact O-N 3.16Å; T233-H237 PolarHBondContact OG1-CD2 3.27Å; T233-H237 VanDerWaalsContact OG1-CD2 3.28Å; T233-L240 HydrophobicContact CG2-CD2 3.81Å
234	P	86.3	Confident	83.8	Confident	35 Å²	35	42.2 Å²	42.2	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	135.9	175.4	-26.6	35.1	0	0	0	113.3	W156 H236 H237	W156-P234 HydrophobicContact CE3-CG 4.3Å; W156-P234 HydrophobicContact CH2-CG 4.32Å; W156-P234 HydrophobicContact CZ3-CG 3.76Å; P234-H236 WeakPolarHBondContact CB-CE1 3.36Å; P234-H236 PolarHBondContact O-N 3.04Å; P234-H237 PolarHBondContact O-CD2 3.08Å; P234-H237 PolarHBondContact O-N 3.41Å; P234-H237 VanDerWaalsContact O-N 3.16Å
235	I	85.9	Confident	84.9	Confident	46 Å²	46	41.2 Å²	41.2	24%	0.236	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.4	-23.2	-174.5	-163.8	172.7	0	0	0	113.8	N150 N153 K155 T233 H237 L238	N150-I235 WeakPolarHBondContact ND2-CD1 3.48Å; N153-I235 VanDerWaalsContact O-CD1 3.26Å; N153-I235 WeakPolarHBondContact O-CD1 3.4Å; K155-I235 WeakPolarHBondContact O-CG2 3.33Å; K155-I235 PolarHBondContact O-N 3.43Å; T233-I235 PolarHBondContact O-N 3.16Å; I235-H237 PolarHBondContact O-N 3.39Å; I235-L238 HydrophobicContact CD1-CD1 4.42Å; I235-L238 HydrophobicContact CG1-CD1 3.56Å; I235-L238 HydrophobicContact CG1-CG 4.43Å; I235-L238 WeakPolarHBondContact O-CB 3.45Å; I235-L238 WeakPolarHBondContact O-CG 3.5Å; I235-L238 PolarHBondContact O-N 2.95Å; I235-L238 VanDerWaalsContact O-N 3.11Å
236	H	83.9	Confident	85.9	Confident	129 Å²	129	37.1 Å²	37.1	60%	0.597	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-69.8	-11.4	-179.5	64.7	-108.8	0	0	0	114.1	K185 P234 L238	K185-H236 PolarHBondContact NZ-O 3.47Å; P234-H236 WeakPolarHBondContact CB-CE1 3.36Å; P234-H236 PolarHBondContact O-N 3.04Å; H236-L238 PolarHBondContact O-N 3.2Å
237	H	83	Confident	86.5	Confident	22 Å²	22	35.9 Å²	35.9	10%	0.102	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-71.4	-15.8	170.4	-63.2	-62.9	0	0	0	113.1	K185 S210 I212 T233 P234 I235 P239 L240	K185-H237 WeakPolarHBondContact CD-O 3.02Å; K185-H237 WeakPolarHBondContact CE-O 3.4Å; K185-H237 WeakPolarHBondContact CG-O 3.41Å; S210-H237 PolarHBondContact OG-CE1 2.85Å; S210-H237 PolarHBondContact OG-ND1 3.26Å; I212-H237 HydrophobicContact CD1-CB 3.74Å; T233-H237 PolarHBondContact OG1-CD2 3.27Å; T233-H237 VanDerWaalsContact OG1-CD2 3.28Å; P234-H237 PolarHBondContact O-CD2 3.08Å; P234-H237 PolarHBondContact O-N 3.41Å; P234-H237 VanDerWaalsContact O-N 3.16Å; I235-H237 PolarHBondContact O-N 3.39Å; H237-P239 CarbonylContact O-C 3.59Å; H237-L240 HydrophobicContact CB-CD2 4.22Å
238	L	84.6	Confident	87.1	Confident	24 Å²	24	30.7 Å²	30.7	13%	0.126	15%	0.152	C	C	.	.			trans	-68.1	150.1	179.8	-63.3	174.1	0	0	0	113.4	I147 I157 K185 I235 H236 L240	I147-L238 HydrophobicContact CB-CD2 4.36Å; I147-L238 HydrophobicContact CG2-CD2 3.84Å; I147-L238 VanDerWaalsContact O-CD2 3.3Å; I147-L238 WeakPolarHBondContact O-CD2 3.37Å; I157-L238 HydrophobicContact CD1-CD1 3.87Å; I157-L238 HydrophobicContact CD1-CD2 4.07Å; I157-L238 HydrophobicContact CG2-CD1 4.39Å; I157-L238 HydrophobicContact CG2-CD2 4.39Å; I157-L238 HydrophobicContact CG2-CG 4.42Å; K185-L238 WeakPolarHBondContact CE-O 3.49Å; K185-L238 PolarHBondContact NZ-O 3.17Å; I235-L238 HydrophobicContact CD1-CD1 4.42Å; I235-L238 HydrophobicContact CG1-CD1 3.56Å; I235-L238 HydrophobicContact CG1-CG 4.43Å; I235-L238 WeakPolarHBondContact O-CB 3.45Å; I235-L238 WeakPolarHBondContact O-CG 3.5Å; I235-L238 PolarHBondContact O-N 2.95Å; I235-L238 VanDerWaalsContact O-N 3.11Å; H236-L238 PolarHBondContact O-N 3.2Å; L238-L240 HydrophobicContact CD2-CB 4.46Å; L238-L240 HydrophobicContact CD2-CD2 3.68Å; L238-L240 HydrophobicContact CD2-CG 3.81Å; L238-L240 HydrophobicContact CG-CD2 4.47Å
239	P	87.1	Confident	87.4	Confident	28 Å²	28	31 Å²	31	18%	0.182	15%	0.151	C	C	.	.	S	Bend	cis	-69.3	136.9	-9.9	30	-34.2	0	0	0	110.9	I147 F148 I186 H237	I147-P239 WeakPolarHBondContact O-CA 3.46Å; F148-P239 HydrophobicContact CD1-CB 4.1Å; I186-P239 HydrophobicContact CB-CB 4.41Å; I186-P239 HydrophobicContact CB-CG 4.21Å; I186-P239 HydrophobicContact CD1-CB 4.42Å; I186-P239 PolarHBondContact N-O 3.33Å; H237-P239 CarbonylContact O-C 3.59Å
240	L	91.3	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.5	-175.5	73.3	86.4	0	0	0	111.5	D146 I147 I183 Y184 W231 T233 H237 L238 I242	D146-L240 WeakPolarHBondContact CA-O 3.34Å; I147-L240 HydrophobicContact CB-CD1 4.25Å; I147-L240 HydrophobicContact CB-CG 4.28Å; I147-L240 HydrophobicContact CD1-CD1 4.19Å; I147-L240 PolarHBondContact N-O 2.94Å; I147-L240 PolarHBondContact O-N 3.27Å; I147-L240 VanDerWaalsContact O-N 3.09Å; I183-L240 HydrophobicContact CG2-CD1 4.07Å; Y184-L240 CarbonylContact O-C 3.44Å; Y184-L240 WeakPolarHBondContact O-CA 3.24Å; W231-L240 HydrophobicContact CH2-CD1 4.1Å; W231-L240 HydrophobicContact CH2-CD2 4.33Å; T233-L240 HydrophobicContact CG2-CD2 3.81Å; H237-L240 HydrophobicContact CB-CD2 4.22Å; L238-L240 HydrophobicContact CD2-CB 4.46Å; L238-L240 HydrophobicContact CD2-CD2 3.68Å; L238-L240 HydrophobicContact CD2-CG 3.81Å; L238-L240 HydrophobicContact CG-CD2 4.47Å; L240-I242 HydrophobicContact CD1-CD1 4.48Å; L240-I242 HydrophobicContact CD1-CG1 3.84Å
241	R	92.7	Very high	87.7	Confident	48 Å²	48	31.8 Å²	31.8	18%	0.181	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.4	176.4	174	167.2	-72.2	173.2	1.1	109.6	H144 D146 I183 Y184 I186 Q243	H144-R241 HydrophobicContact CB-CG 4.26Å; H144-R241 PolarHBondContact CE1-NH1 3.47Å; H144-R241 VanDerWaalsContact ND1-CZ 3.33Å; H144-R241 PolarHBondContact ND1-NE 2.91Å; H144-R241 PolarHBondContact ND1-NH1 3.41Å; H144-R241 VanDerWaalsContact ND1-NH1 3.18Å; D146-R241 WeakPolarHBondContact OD1-CB 3.43Å; D146-R241 WeakPolarHBondContact OD1-CG 3.39Å; D146-R241 IonicContact OD1-CZ 2.69Å; D146-R241 IonicContact OD1-NE 3.64Å; D146-R241 PolarHBondContact OD1-NE 3.11Å; D146-R241 IonicContact OD1-NH2 3.53Å; D146-R241 PolarHBondContact OD1-NH2 3Å; D146-R241 IonicContact OD2-CZ 3.68Å; D146-R241 IonicContact OD2-NE 3.69Å; D146-R241 IonicContact OD2-NH2 3.57Å; D146-R241 PolarHBondContact OD2-NH2 3.31Å; I183-R241 WeakPolarHBondContact CA-O 3.47Å; Y184-R241 HydrophobicContact CD2-CB 4.37Å; Y184-R241 HydrophobicContact CE1-CG 4.34Å; Y184-R241 HydrophobicContact CE2-CB 4.13Å; Y184-R241 HydrophobicContact CE2-CG 4.23Å; Y184-R241 PolarHBondContact N-O 3.3Å; Y184-R241 PolarHBondContact O-N 3.04Å; Y184-R241 WeakPolarHBondContact OH-CD 3.41Å; I186-R241 HydrophobicContact CD1-CB 4.01Å; I186-R241 HydrophobicContact CG1-CB 3.78Å; R241-Q243 HydrophobicContact CG-CB 4.43Å
242	I	94.2	Very high	87.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.1	162.9	-56.7	178.7	0	0	0	106.3	L145 I147 I162 I183 L217 W231 L240 F244	L145-I242 HydrophobicContact CB-CB 4.29Å; L145-I242 HydrophobicContact CD2-CD1 4.5Å; L145-I242 PolarHBondContact N-O 2.97Å; L145-I242 PolarHBondContact O-N 2.91Å; I147-I242 HydrophobicContact CD1-CD1 3.67Å; I147-I242 HydrophobicContact CD1-CG1 4.28Å; I162-I242 HydrophobicContact CD1-CD1 4.48Å; I162-I242 HydrophobicContact CD1-CG2 4.34Å; I183-I242 HydrophobicContact CD1-CG1 4.42Å; I183-I242 HydrophobicContact CG1-CB 4.5Å; I183-I242 HydrophobicContact CG1-CG1 4.21Å; I183-I242 HydrophobicContact CG1-CG2 4.29Å; I183-I242 HydrophobicContact CG2-CG1 4.33Å; L217-I242 HydrophobicContact CD1-CD1 4.4Å; L217-I242 HydrophobicContact CD2-CD1 3.98Å; L217-I242 HydrophobicContact CD2-CG2 3.7Å; W231-I242 HydrophobicContact CE3-CD1 4.48Å; W231-I242 HydrophobicContact CH2-CD1 3.89Å; W231-I242 HydrophobicContact CH2-CG1 4.48Å; W231-I242 HydrophobicContact CZ2-CD1 4.33Å; W231-I242 HydrophobicContact CZ3-CD1 3.97Å; L240-I242 HydrophobicContact CD1-CD1 4.48Å; L240-I242 HydrophobicContact CD1-CG1 3.84Å; I242-F244 HydrophobicContact CG2-CD1 4.32Å
243	Q	94.7	Very high	87	Confident	25 Å²	25	38.3 Å²	38.3	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.4	172	169.8	171.5	-8.9	0	0	109.4	I142 F143 H144 I181 K182 Y184 R241 T245	I142-Q243 HydrophobicContact CG2-CG 4.15Å; F143-Q243 WeakPolarHBondContact O-CA 3.38Å; H144-Q243 WeakPolarHBondContact NE2-CG 3.35Å; H144-Q243 PolarHBondContact NE2-NE2 3.18Å; H144-Q243 PolarHBondContact NE2-OE1 2.97Å; I181-Q243 CarbonylContact C-O 3.57Å; I181-Q243 WeakPolarHBondContact CA-O 3.42Å; K182-Q243 HydrophobicContact CB-CB 4.34Å; K182-Q243 PolarHBondContact N-O 3.03Å; K182-Q243 PolarHBondContact O-N 3.13Å; Y184-Q243 HydrophobicContact CE1-CB 3.92Å; Y184-Q243 PolarHBondContact OH-OE1 2.88Å; R241-Q243 HydrophobicContact CG-CB 4.43Å; Q243-T245 HydrophobicContact CG-CG2 4.29Å
244	F	94.4	Very high	86.5	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.9	173	58.3	-82.3	0	0	0	110.3	F143 L145 V164 P178 T180 I181 F218 I242 Y246 L279	F143-F244 HydrophobicContact CB-CD1 4Å; F143-F244 HydrophobicContact CB-CD2 3.84Å; F143-F244 HydrophobicContact CB-CE1 3.66Å; F143-F244 HydrophobicContact CB-CE2 3.49Å; F143-F244 VanDerWaalsContact CB-CE2 3.49Å; F143-F244 HydrophobicContact CB-CG 4.09Å; F143-F244 HydrophobicContact CB-CZ 3.39Å; F143-F244 HydrophobicContact CD2-CD2 4.04Å; F143-F244 AromaticContact CD2-CE2 3.73Å; F143-F244 HydrophobicContact CD2-CE2 3.73Å; F143-F244 HydrophobicContact CD2-CZ 4.42Å; F143-F244 HydrophobicContact CG-CD2 4.23Å; F143-F244 AromaticContact CG-CE2 3.67Å; F143-F244 HydrophobicContact CG-CE2 3.67Å; F143-F244 AromaticContact CG-CZ 3.89Å; F143-F244 HydrophobicContact CG-CZ 3.89Å; F143-F244 PolarHBondContact N-O 3.46Å; F143-F244 PolarHBondContact O-N 3.33Å; L145-F244 HydrophobicContact CB-CE1 4.35Å; V164-F244 HydrophobicContact CG2-CE2 4.13Å; P178-F244 HydrophobicContact CB-CB 3.95Å; P178-F244 HydrophobicContact CB-CD2 4.48Å; P178-F244 HydrophobicContact CG-CB 4.28Å; T180-F244 CarbonylContact O-C 3.45Å; T180-F244 VanDerWaalsContact O-CA 3.32Å; T180-F244 WeakPolarHBondContact O-CA 3.37Å; I181-F244 HydrophobicContact CG1-CB 4.45Å; F218-F244 HydrophobicContact CE1-CD2 4.25Å; F218-F244 HydrophobicContact CE1-CG 4.47Å; F218-F244 HydrophobicContact CE2-CB 4.42Å; F218-F244 HydrophobicContact CZ-CB 3.91Å; F218-F244 HydrophobicContact CZ-CD1 4.06Å; F218-F244 AromaticContact CZ-CD2 3.97Å; F218-F244 HydrophobicContact CZ-CD2 3.97Å; F218-F244 HydrophobicContact CZ-CE2 4.48Å; F218-F244 AromaticContact CZ-CG 3.74Å; F218-F244 HydrophobicContact CZ-CG 3.74Å; I242-F244 HydrophobicContact CG2-CD1 4.32Å; F244-Y246 AromaticContact CD2-CE2 3.79Å; F244-Y246 HydrophobicContact CD2-CE2 3.79Å; F244-Y246 HydrophobicContact CE2-CE2 4.11Å; F244-L279 HydrophobicContact CE1-CD1 4.36Å; F244-L279 HydrophobicContact CZ-CD1 4.32Å
245	T	92.3	Very high	86.3	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.4	-171.4	74.9	0	0	0	0	112.3	Q140 L141 I142 P178 H179 T180 Q243	Q140-T245 PolarHBondContact OE1-OG1 3.45Å; L141-T245 WeakPolarHBondContact O-CA 3.32Å; I142-T245 HydrophobicContact CB-CG2 4.31Å; I142-T245 HydrophobicContact CG1-CG2 3.85Å; I142-T245 HydrophobicContact CG2-CG2 4.14Å; P178-T245 CarbonylContact C-O 3.5Å; P178-T245 WeakPolarHBondContact CA-O 3.47Å; P178-T245 WeakPolarHBondContact CB-O 3.23Å; H179-T245 PolarHBondContact N-O 2.78Å; T180-T245 PolarHBondContact N-OG1 2.86Å; T180-T245 PolarHBondContact O-N 2.96Å; T180-T245 PolarHBondContact OG1-OG1 3.07Å; Q243-T245 HydrophobicContact CG-CG2 4.29Å
246	Y	91.9	Very high	86	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.6	171.3	-68.4	-93.1	0	0	0	109.7	Q140 L141 F143 V164 I176 Y177 P178 F244 F251	Q140-Y246 CarbonylContact C-O 3.55Å; Q140-Y246 VanDerWaalsContact CA-O 3.31Å; Q140-Y246 WeakPolarHBondContact CA-O 3.4Å; L141-Y246 PolarHBondContact N-O 3.25Å; L141-Y246 PolarHBondContact O-N 3.35Å; F143-Y246 AromaticContact CD2-CD2 3.96Å; F143-Y246 HydrophobicContact CD2-CD2 3.96Å; F143-Y246 HydrophobicContact CD2-CE2 4.24Å; F143-Y246 AromaticContact CE2-CD2 3.81Å; F143-Y246 HydrophobicContact CE2-CD2 3.81Å; F143-Y246 HydrophobicContact CE2-CE2 4.21Å; V164-Y246 VanDerWaalsContact CB-OH 3.24Å; V164-Y246 WeakPolarHBondContact CB-OH 3.36Å; V164-Y246 HydrophobicContact CG1-CE2 4.43Å; V164-Y246 HydrophobicContact CG2-CE2 4.4Å; V164-Y246 VanDerWaalsContact CG2-OH 3.24Å; V164-Y246 WeakPolarHBondContact CG2-OH 3.35Å; I176-Y246 HydrophobicContact CB-CE1 4Å; I176-Y246 HydrophobicContact CD1-CD1 4.08Å; I176-Y246 HydrophobicContact CD1-CE1 3.72Å; I176-Y246 HydrophobicContact CG1-CE1 3.77Å; I176-Y246 PolarHBondContact O-OH 3.39Å; Y177-Y246 VanDerWaalsContact O-CE1 3.24Å; Y177-Y246 WeakPolarHBondContact O-CE1 3.35Å; P178-Y246 HydrophobicContact CB-CE1 4.36Å; P178-Y246 HydrophobicContact CB-CE2 4.07Å; F244-Y246 AromaticContact CD2-CE2 3.79Å; F244-Y246 HydrophobicContact CD2-CE2 3.79Å; F244-Y246 HydrophobicContact CE2-CE2 4.11Å; Y246-F251 HydrophobicContact CD1-CZ 4.15Å; Y246-F251 HydrophobicContact CD2-CZ 4.49Å; Y246-F251 HydrophobicContact CG-CE2 4.37Å; Y246-F251 AromaticContact CG-CZ 3.85Å; Y246-F251 HydrophobicContact CG-CZ 3.85Å
247	L	88.6	Confident	86.1	Confident	37 Å²	37	34.2 Å²	34.2	19%	0.194	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.8	174.7	-58	178.7	0	0	0	109.3	Q140 H179 K249 Q250	Q140-L247 HydrophobicContact CG-CD2 3.98Å; H179-L247 HydrophobicContact CB-CG 4.15Å; L247-K249 HydrophobicContact CB-CG 4.1Å; L247-K249 PolarHBondContact O-N 2.86Å; L247-K249 VanDerWaalsContact O-N 3.07Å; L247-Q250 HydrophobicContact CB-CG 4.42Å; L247-Q250 WeakPolarHBondContact O-CB 3.43Å; L247-Q250 WeakPolarHBondContact O-CG 3.42Å; L247-Q250 PolarHBondContact O-N 3.48Å
248	L	83.2	Confident	86.3	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-53	-37.1	-176	-68.8	-172.9	0	0	0	113.7	N139 Q250 F251 Y283 I331 N339	N139-L248 PolarHBondContact O-N 3.08Å; L248-Q250 PolarHBondContact O-N 2.82Å; L248-F251 PolarHBondContact O-N 2.9Å; L248-Y283 HydrophobicContact CD1-CE2 3.91Å; L248-Y283 HydrophobicContact CD2-CD2 4.36Å; L248-Y283 HydrophobicContact CD2-CE2 3.97Å; L248-Y283 HydrophobicContact CG-CE2 4.39Å; L248-I331 HydrophobicContact CD2-CD1 3.37Å; L248-N339 HydrophobicContact CD1-CB 4.06Å; L248-N339 WeakPolarHBondContact CD1-ND2 3.32Å
249	K	82.6	Confident	86.6	Confident	159 Å²	159	34.5 Å²	34.5	69%	0.691	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-60.1	-6.2	177.6	71.6	179.7	-173.5	178.6	0	115.7	L247 F251	L247-K249 HydrophobicContact CB-CG 4.1Å; L247-K249 PolarHBondContact O-N 2.86Å; L247-K249 VanDerWaalsContact O-N 3.07Å; K249-F251 VanDerWaalsContact C-N 3.34Å
250	Q	80.7	Confident	86.7	Confident	65 Å²	65	33.5 Å²	33.5	30%	0.304	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-85.6	-6.4	174.5	-61.8	-179.4	-95.8	0	0	113	L247 L248	L247-Q250 HydrophobicContact CB-CG 4.42Å; L247-Q250 WeakPolarHBondContact O-CB 3.43Å; L247-Q250 WeakPolarHBondContact O-CG 3.42Å; L247-Q250 PolarHBondContact O-N 3.48Å; L248-Q250 PolarHBondContact O-N 2.82Å
251	F	83.4	Confident	86.7	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	15%	0.154	C	C	.	.			trans	-122.7	162.8	-174.1	-53.2	-76.2	0	0	0	111.5	L141 L166 I176 Y246 L248 K249 I257 V327	L141-F251 HydrophobicContact CB-CE2 4.35Å; L141-F251 HydrophobicContact CD2-CE2 4.02Å; L141-F251 HydrophobicContact CD2-CZ 4.05Å; L166-F251 HydrophobicContact CD1-CD1 3.66Å; L166-F251 HydrophobicContact CD1-CE1 4.05Å; I176-F251 HydrophobicContact CD1-CE1 3.59Å; I176-F251 HydrophobicContact CD1-CZ 4.11Å; Y246-F251 HydrophobicContact CD1-CZ 4.15Å; Y246-F251 HydrophobicContact CD2-CZ 4.49Å; Y246-F251 HydrophobicContact CG-CE2 4.37Å; Y246-F251 AromaticContact CG-CZ 3.85Å; Y246-F251 HydrophobicContact CG-CZ 3.85Å; L248-F251 PolarHBondContact O-N 2.9Å; K249-F251 VanDerWaalsContact C-N 3.34Å; F251-I257 HydrophobicContact CD1-CD1 3.83Å; F251-I257 HydrophobicContact CD1-CG1 4.11Å; F251-I257 HydrophobicContact CE1-CD1 3.37Å; F251-I257 HydrophobicContact CE1-CG1 3.81Å; F251-I257 HydrophobicContact CZ-CD1 3.95Å; F251-V327 HydrophobicContact CB-CG2 4.13Å; F251-V327 HydrophobicContact CD1-CG2 4.16Å; F251-V327 HydrophobicContact CG-CG2 4.25Å
252	Q	81.9	Confident	86.5	Confident	104 Å²	104	31.8 Å²	31.8	49%	0.486	15%	0.147	S	C	.	.			trans	-108.4	158.2	156.2	-56.4	-62.9	-78.6	0	0	109.4	N254 D255	Q252-N254 PolarHBondContact O-N 2.73Å; Q252-N254 VanDerWaalsContact O-N 3.11Å; Q252-D255 WeakPolarHBondContact CB-OD2 3.4Å; Q252-D255 PolarHBondContact N-OD2 2.93Å; Q252-D255 PolarHBondContact O-N 2.71Å; Q252-D255 VanDerWaalsContact O-N 3.08Å
253	W	77	Confident	86.2	Confident	71 Å²	71	31.8 Å²	31.8	27%	0.269	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.7	-173.5	-175.5	60.6	0	0	0	114.4	N326 N328 I331 F333 F336	W253-N326 PolarHBondContact O-OD1 3.47Å; W253-N328 HydrophobicContact CD2-CB 3.94Å; W253-N328 VanDerWaalsContact CE2-CB 3.41Å; W253-N328 HydrophobicContact CG-CB 4.35Å; W253-N328 HydrophobicContact CH2-CB 4.29Å; W253-N328 HydrophobicContact CZ2-CB 3.62Å; W253-N328 WeakPolarHBondContact O-CB 3.38Å; W253-N328 PolarHBondContact O-N 3.41Å; W253-I331 PolarHBondContact NE1-O 3.2Å; W253-F333 AromaticContact CD2-CD2 3.77Å; W253-F333 HydrophobicContact CD2-CD2 3.77Å; W253-F333 AromaticContact CE2-CD2 3.88Å; W253-F333 AromaticContact CE3-CD2 3.75Å; W253-F333 HydrophobicContact CE3-CD2 3.75Å; W253-F333 HydrophobicContact CE3-CE2 4.24Å; W253-F333 HydrophobicContact CG-CD2 4.45Å; W253-F333 HydrophobicContact CH2-CB 4.37Å; W253-F333 AromaticContact CH2-CD2 4Å; W253-F333 HydrophobicContact CH2-CD2 4Å; W253-F333 HydrophobicContact CZ2-CB 3.79Å; W253-F333 HydrophobicContact CZ2-CD2 4Å; W253-F333 HydrophobicContact CZ2-CG 4.39Å; W253-F333 AromaticContact CZ3-CD2 3.87Å; W253-F333 HydrophobicContact CZ3-CD2 3.87Å; W253-F333 HydrophobicContact CZ3-CE2 4.44Å; W253-F336 HydrophobicContact CB-CD1 3.75Å; W253-F336 HydrophobicContact CB-CD2 4.3Å; W253-F336 HydrophobicContact CB-CE1 3.98Å; W253-F336 HydrophobicContact CB-CG 3.94Å; W253-F336 HydrophobicContact CB-CZ 4.37Å; W253-F336 AromaticContact CD1-CD2 3.96Å; W253-F336 AromaticContact CD1-CG 3.71Å; W253-F336 HydrophobicContact CG-CB 4.38Å; W253-F336 HydrophobicContact CG-CD1 4.37Å; W253-F336 HydrophobicContact CG-CG 4.17Å
254	N	77.9	Confident	85.6	Confident	65 Å²	65	30.6 Å²	30.6	35%	0.348	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.8	-179.5	-75.9	-16.1	0	0	0	114.4	Q252 N326 N328	Q252-N254 PolarHBondContact O-N 2.73Å; Q252-N254 VanDerWaalsContact O-N 3.11Å; N254-N326 PolarHBondContact O-ND2 3.47Å; N254-N326 PolarHBondContact O-OD1 2.84Å; N254-N328 PolarHBondContact OD1-ND2 3.27Å
255	D	81.4	Confident	84.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.011	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-66.5	146.6	-175.4	-70.1	-21.7	0	0	0	111.6	L166 N168 Q252 N326 V327	L166-D255 HydrophobicContact CD1-CB 3.63Å; L166-D255 HydrophobicContact CG-CB 4.18Å; N168-D255 WeakPolarHBondContact CA-OD1 3.44Å; N168-D255 PolarHBondContact ND2-OD1 2.93Å; N168-D255 PolarHBondContact ND2-OD2 3.29Å; Q252-D255 WeakPolarHBondContact CB-OD2 3.4Å; Q252-D255 PolarHBondContact N-OD2 2.93Å; Q252-D255 PolarHBondContact O-N 2.71Å; Q252-D255 VanDerWaalsContact O-N 3.08Å; D255-N326 PolarHBondContact O-OD1 3.45Å; D255-V327 HydrophobicContact CB-CG2 4.46Å; D255-V327 WeakPolarHBondContact O-CG2 3.47Å; D255-V327 PolarHBondContact O-N 3.1Å; D255-V327 VanDerWaalsContact O-N 3.09Å
256	I	80.2	Confident	83.5	Confident	61 Å²	61	33.2 Å²	33.2	31%	0.313	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.6	178.5	-62.6	172.1	0	0	0	108.3	N167 I324	N167-I256 HydrophobicContact CB-CB 4.34Å; N167-I256 PolarHBondContact N-O 3.37Å; N167-I256 PolarHBondContact O-N 2.7Å; I256-I324 HydrophobicContact CG2-CG2 3.33Å
257	I	85.6	Confident	82.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.7	174.6	-53	170.1	0	0	0	108.3	L141 F143 V164 L166 F251 I259 I324 L325 V327	L141-I257 HydrophobicContact CD2-CD1 3.84Å; F143-I257 HydrophobicContact CZ-CD1 4.48Å; V164-I257 HydrophobicContact CG1-CG2 3.62Å; L166-I257 HydrophobicContact CD1-CG1 3.92Å; F251-I257 HydrophobicContact CD1-CD1 3.83Å; F251-I257 HydrophobicContact CD1-CG1 4.11Å; F251-I257 HydrophobicContact CE1-CD1 3.37Å; F251-I257 HydrophobicContact CE1-CG1 3.81Å; F251-I257 HydrophobicContact CZ-CD1 3.95Å; I257-I259 HydrophobicContact CG2-CG1 4.16Å; I257-I324 WeakPolarHBondContact O-CA 3.36Å; I257-L325 HydrophobicContact CB-CD1 4.27Å; I257-L325 HydrophobicContact CB-CG 4.07Å; I257-L325 HydrophobicContact CD1-CD1 4.34Å; I257-L325 PolarHBondContact N-O 3.49Å; I257-L325 WeakPolarHBondContact O-CD2 3.47Å; I257-L325 PolarHBondContact O-N 2.92Å; I257-V327 HydrophobicContact CD1-CG2 3.84Å; I257-V327 HydrophobicContact CG1-CG2 4.11Å
258	Q	87.2	Confident	81.6	Confident	51 Å²	51	43.1 Å²	43.1	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.9	171	168.6	175.7	-10.7	0	0	109.6	V164 L165 N260 I323 I324	V164-Q258 CarbonylContact C-O 3.59Å; V164-Q258 WeakPolarHBondContact CA-O 3.47Å; L165-Q258 HydrophobicContact CB-CB 4.26Å; L165-Q258 PolarHBondContact N-O 2.94Å; L165-Q258 PolarHBondContact O-N 2.88Å; Q258-N260 WeakPolarHBondContact CG-OD1 3.33Å; Q258-N260 PolarHBondContact NE2-ND2 2.88Å; Q258-N260 PolarHBondContact NE2-OD1 2.87Å; Q258-I323 CarbonylContact C-O 3.42Å; Q258-I323 WeakPolarHBondContact CA-O 3.29Å; Q258-I324 HydrophobicContact CB-CD1 3.97Å; Q258-I324 HydrophobicContact CB-CG1 3.91Å; Q258-I324 HydrophobicContact CG-CD1 3.94Å; Q258-I324 HydrophobicContact CG-CG1 3.93Å
259	I	90	Very high	81.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114	177.5	-58.9	171.8	0	0	0	107.8	F143 I162 E163 V164 I257 I261 L279 S322 I323 L325	F143-I259 HydrophobicContact CD1-CD1 3.77Å; F143-I259 HydrophobicContact CE1-CD1 3.54Å; F143-I259 HydrophobicContact CG-CD1 4.5Å; F143-I259 HydrophobicContact CZ-CD1 4.11Å; I162-I259 HydrophobicContact CG2-CG2 4.12Å; E163-I259 CarbonylContact O-C 3.49Å; E163-I259 WeakPolarHBondContact O-CA 3.49Å; V164-I259 HydrophobicContact CG1-CG1 4.18Å; V164-I259 HydrophobicContact CG2-CG1 4.21Å; V164-I259 HydrophobicContact CG2-CG2 4.48Å; I257-I259 HydrophobicContact CG2-CG1 4.16Å; I259-I261 HydrophobicContact CG2-CG1 4.41Å; I259-L279 HydrophobicContact CD1-CD2 4.03Å; I259-L279 HydrophobicContact CG2-CD2 4.4Å; I259-S322 WeakPolarHBondContact O-CA 3.24Å; I259-I323 PolarHBondContact N-O 2.73Å; I259-I323 PolarHBondContact O-N 2.99Å; I259-L325 HydrophobicContact CD1-CD2 4.24Å
260	N	89.2	Confident	81.1	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.8	175	-55	-38.6	0	0	0	109.3	I162 E163 Q258 V320 S322	I162-N260 WeakPolarHBondContact CA-O 3.26Å; E163-N260 HydrophobicContact CB-CB 4.02Å; E163-N260 PolarHBondContact N-O 2.79Å; E163-N260 PolarHBondContact O-N 2.79Å; E163-N260 PolarHBondContact OE2-ND2 2.8Å; Q258-N260 WeakPolarHBondContact CG-OD1 3.33Å; Q258-N260 PolarHBondContact NE2-ND2 2.88Å; Q258-N260 PolarHBondContact NE2-OD1 2.87Å; N260-V320 HydrophobicContact CB-CG2 3.72Å; N260-S322 WeakPolarHBondContact OD1-CB 3.39Å; N260-S322 PolarHBondContact OD1-OG 3.37Å
261	I	91.1	Very high	81.2	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115	172.1	-52.4	177.5	0	0	0	107.6	L145 L159 I259 L295 V320 T321 I323	L145-I261 HydrophobicContact CD1-CD1 3.82Å; L145-I261 HydrophobicContact CD2-CD1 4.12Å; L159-I261 HydrophobicContact CD1-CG2 4.15Å; L159-I261 HydrophobicContact CD2-CG2 4.01Å; I259-I261 HydrophobicContact CG2-CG1 4.41Å; I261-L295 HydrophobicContact CB-CD2 4.45Å; I261-L295 HydrophobicContact CG2-CD1 3.85Å; I261-L295 HydrophobicContact CG2-CD2 4.33Å; I261-V320 WeakPolarHBondContact O-CA 3.38Å; I261-T321 PolarHBondContact N-O 2.86Å; I261-T321 PolarHBondContact O-N 3.32Å; I261-I323 HydrophobicContact CD1-CD1 3.93Å; I261-I323 HydrophobicContact CG1-CD1 4.13Å
262	W	89	Confident	81.3	Confident	10 Å²	10	37.7 Å²	37.7	4%	0.038	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.9	-175.6	-64.9	91.8	0	0	0	110.8	N160 G161 F222 Y223 I316 V320	N160-W262 HydrophobicContact CB-CB 3.89Å; N160-W262 PolarHBondContact N-O 2.81Å; G161-W262 PolarHBondContact N-O 3.01Å; G161-W262 PolarHBondContact O-N 2.89Å; F222-W262 HydrophobicContact CB-CD2 3.81Å; F222-W262 HydrophobicContact CB-CE3 4.4Å; F222-W262 HydrophobicContact CB-CG 3.84Å; F222-W262 AromaticContact CD1-CD1 3.54Å; F222-W262 HydrophobicContact CD1-CG 4.1Å; F222-W262 AromaticContact CD1-NE1 3.97Å; F222-W262 AromaticContact CD2-NE1 3.86Å; F222-W262 AromaticContact CG-CD1 3.65Å; F222-W262 HydrophobicContact CG-CD2 4.39Å; F222-W262 HydrophobicContact CG-CG 4.12Å; F222-W262 AromaticContact CG-NE1 3.63Å; Y223-W262 HydrophobicContact CD1-CH2 4.33Å; Y223-W262 HydrophobicContact CD1-CZ3 4.14Å; Y223-W262 AromaticContact CE1-CH2 3.39Å; Y223-W262 HydrophobicContact CE1-CH2 3.39Å; Y223-W262 HydrophobicContact CE1-CZ2 4.29Å; Y223-W262 AromaticContact CE1-CZ3 3.59Å; Y223-W262 HydrophobicContact CE1-CZ3 3.59Å; Y223-W262 AromaticContact CZ-CH2 3.59Å; Y223-W262 WeakPolarHBondContact OH-CH2 3.37Å; W262-I316 HydrophobicContact CZ3-CG2 4.29Å; W262-V320 HydrophobicContact CD2-CB 4.04Å; W262-V320 HydrophobicContact CD2-CG2 3.76Å; W262-V320 HydrophobicContact CE3-CB 3.69Å; W262-V320 HydrophobicContact CE3-CG2 3.95Å; W262-V320 HydrophobicContact CG-CG2 4.31Å; W262-V320 HydrophobicContact CH2-CB 4.13Å; W262-V320 HydrophobicContact CH2-CG1 4.34Å; W262-V320 HydrophobicContact CH2-CG2 4.12Å; W262-V320 HydrophobicContact CZ2-CB 4.48Å; W262-V320 HydrophobicContact CZ2-CG2 3.98Å; W262-V320 HydrophobicContact CZ3-CB 3.74Å; W262-V320 HydrophobicContact CZ3-CG1 4.18Å; W262-V320 HydrophobicContact CZ3-CG2 4.12Å
263	N	87.4	Confident	81.6	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.156	C	C	.	.			trans	-82.4	168.6	172.8	-131.5	5.1	0	0	0	110.7	L265 S273 V274 P296 S319	N263-L265 PolarHBondContact O-N 2.87Å; N263-S273 PolarHBondContact ND2-OG 2.99Å; N263-S273 VanDerWaalsContact OD1-CB 3.23Å; N263-S273 WeakPolarHBondContact OD1-CB 3.36Å; N263-V274 PolarHBondContact ND2-O 3.35Å; N263-V274 PolarHBondContact OD1-N 3.28Å; N263-P296 PolarHBondContact ND2-O 3.47Å; N263-S319 WeakPolarHBondContact CB-O 3.43Å; N263-S319 PolarHBondContact N-O 3.01Å
264	F	81.8	Confident	82.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.			trans	-69.4	117.7	-174.5	-70.1	-21.4	0	0	0	114	L159 N160 M230 L232 N266 L269 L270 I272 I298	L159-F264 WeakPolarHBondContact O-CE1 3.47Å; N160-F264 HydrophobicContact CB-CD1 4.43Å; N160-F264 WeakPolarHBondContact OD1-CD1 3.21Å; M230-F264 HydrophobicContact CB-CE1 3.78Å; M230-F264 HydrophobicContact CB-CZ 4.19Å; M230-F264 HydrophobicContact CG-CD1 4.33Å; M230-F264 HydrophobicContact CG-CE1 3.82Å; M230-F264 HydrophobicContact CG-CZ 4.5Å; M230-F264 HydrophobicContact SD-CD1 4Å; M230-F264 HydrophobicContact SD-CE1 3.74Å; M230-F264 HydrophobicContact SD-CZ 4.13Å; L232-F264 HydrophobicContact CD2-CE2 3.88Å; L232-F264 HydrophobicContact CD2-CZ 3.62Å; L232-F264 HydrophobicContact CG-CZ 4Å; F264-N266 VanDerWaalsContact C-N 3.31Å; F264-L269 HydrophobicContact CB-CB 4.45Å; F264-L269 HydrophobicContact CD2-CB 3.63Å; F264-L269 WeakPolarHBondContact CD2-O 3.4Å; F264-L269 HydrophobicContact CE2-CB 4.13Å; F264-L269 HydrophobicContact CG-CB 4.33Å; F264-L270 WeakPolarHBondContact O-CD2 3.14Å; F264-I272 HydrophobicContact CD2-CB 4.21Å; F264-I272 HydrophobicContact CD2-CG2 4.46Å; F264-I272 HydrophobicContact CE2-CB 3.85Å; F264-I272 HydrophobicContact CE2-CG2 3.64Å; F264-I298 WeakPolarHBondContact O-CD1 3.35Å
265	L	71.4	Confident	82.6	Confident	28 Å²	28	29.1 Å²	29.1	15%	0.147	14%	0.138	C	C	.	.			trans	-70.1	-23.3	168.8	-75.4	162.5	0	0	0	113.6	T225 N263 T267 I298 C315 I316	T225-L265 HydrophobicContact CG2-CB 4.45Å; N263-L265 PolarHBondContact O-N 2.87Å; L265-T267 PolarHBondContact O-N 2.86Å; L265-I298 HydrophobicContact CD2-CD1 4.09Å; L265-C315 WeakPolarHBondContact CD2-O 3.34Å; L265-I316 HydrophobicContact CD2-CG1 4.49Å
266	N	72.2	Confident	83	Confident	30 Å²	30	31.8 Å²	31.8	16%	0.16	15%	0.15	C	C	.	.			trans	-75.9	116.6	-176.6	-176.8	-35.6	0	0	0	111.3	T225 M230 F264 Y268 L269 L270	T225-N266 PolarHBondContact O-ND2 2.8Å; M230-N266 HydrophobicContact CE-CB 3.97Å; F264-N266 VanDerWaalsContact C-N 3.31Å; N266-Y268 VanDerWaalsContact C-N 3.27Å; N266-Y268 PolarHBondContact O-N 3.2Å; N266-Y268 WeakPolarHBondContact OD1-CB 3.41Å; N266-Y268 WeakPolarHBondContact OD1-CD2 3.27Å; N266-Y268 PolarHBondContact OD1-N 3.24Å; N266-L269 HydrophobicContact CB-CB 4.3Å; N266-L269 HydrophobicContact CB-CD1 3.92Å; N266-L269 HydrophobicContact CB-CG 4.07Å; N266-L269 PolarHBondContact O-N 3.38Å; N266-L270 PolarHBondContact O-N 2.81Å
267	T	70.5	Confident	83.4	Confident	52 Å²	52	28.9 Å²	28.9	32%	0.319	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34	-175.7	54.2	0	0	0	0	114.3	L265 L269 L270 T300	L265-T267 PolarHBondContact O-N 2.86Å; T267-L269 PolarHBondContact O-N 2.86Å; T267-L270 WeakPolarHBondContact O-CD1 3.5Å; T267-L270 WeakPolarHBondContact O-CG 3.47Å; T267-T300 HydrophobicContact CG2-CG2 3.69Å; T267-T300 WeakPolarHBondContact CG2-OG1 3.38Å
268	Y	70.5	Confident	83.7	Confident	193 Å²	193	30.1 Å²	30.1	76%	0.757	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.3	177.7	-57.8	-74.3	0	0	0	112.9	N266	N266-Y268 VanDerWaalsContact C-N 3.27Å; N266-Y268 PolarHBondContact O-N 3.2Å; N266-Y268 WeakPolarHBondContact OD1-CB 3.41Å; N266-Y268 WeakPolarHBondContact OD1-CD2 3.27Å; N266-Y268 PolarHBondContact OD1-N 3.24Å
269	L	76	Confident	83.9	Confident	20 Å²	20	27.8 Å²	27.8	11%	0.105	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-4.2	-174.1	-50.7	179.9	0	0	0	113.1	F227 M230 F264 N266 T267 N271 I272 S273	F227-L269 HydrophobicContact CD2-CD1 3.95Å; F227-L269 HydrophobicContact CD2-CD2 4.2Å; F227-L269 HydrophobicContact CE2-CD2 4.48Å; M230-L269 HydrophobicContact CE-CD1 4.07Å; M230-L269 HydrophobicContact SD-CD1 3.45Å; M230-L269 WeakPolarHBondContact SD-CD1 3.45Å; F264-L269 HydrophobicContact CB-CB 4.45Å; F264-L269 HydrophobicContact CD2-CB 3.63Å; F264-L269 WeakPolarHBondContact CD2-O 3.4Å; F264-L269 HydrophobicContact CE2-CB 4.13Å; F264-L269 HydrophobicContact CG-CB 4.33Å; N266-L269 HydrophobicContact CB-CB 4.3Å; N266-L269 HydrophobicContact CB-CD1 3.92Å; N266-L269 HydrophobicContact CB-CG 4.07Å; N266-L269 PolarHBondContact O-N 3.38Å; T267-L269 PolarHBondContact O-N 2.86Å; L269-N271 PolarHBondContact O-N 2.91Å; L269-I272 HydrophobicContact CB-CD1 4.33Å; L269-I272 HydrophobicContact CD2-CD1 3.81Å; L269-I272 WeakPolarHBondContact O-CA 3.18Å; L269-I272 VanDerWaalsContact O-CB 3.25Å; L269-I272 WeakPolarHBondContact O-CB 3.34Å; L269-I272 PolarHBondContact O-N 3.16Å; L269-S273 PolarHBondContact O-N 2.98Å
270	L	79.3	Confident	84	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-37.2	-178.2	-66.3	169.5	0	0	0	114.2	F264 N266 T267 I272 S273 Y297 I298	F264-L270 WeakPolarHBondContact O-CD2 3.14Å; N266-L270 PolarHBondContact O-N 2.81Å; T267-L270 WeakPolarHBondContact O-CD1 3.5Å; T267-L270 WeakPolarHBondContact O-CG 3.47Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.84Å; L270-S273 WeakPolarHBondContact O-CB 3.41Å; L270-S273 PolarHBondContact O-N 3Å; L270-S273 PolarHBondContact O-OG 2.81Å; L270-Y297 HydrophobicContact CB-CE2 3.77Å; L270-I298 VanDerWaalsContact CD1-O 3.27Å; L270-I298 WeakPolarHBondContact CD1-O 3.24Å; L270-I298 HydrophobicContact CD2-CB 3.86Å; L270-I298 HydrophobicContact CD2-CD1 4.41Å; L270-I298 HydrophobicContact CD2-CG1 4.3Å
271	N	83.1	Confident	84.2	Confident	75 Å²	75	29 Å²	29	40%	0.401	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.4	177.5	-70.7	-66.7	0	0	0	114.2	N150 W151 G152 N153 L269	N150-N271 PolarHBondContact ND2-O 3.16Å; W151-N271 PolarHBondContact N-O 2.87Å; G152-N271 PolarHBondContact N-O 3.27Å; N153-N271 HydrophobicContact CB-CB 4.24Å; N153-N271 WeakPolarHBondContact CB-O 3.16Å; N153-N271 PolarHBondContact N-O 2.99Å; L269-N271 PolarHBondContact O-N 2.91Å
272	I	85.3	Confident	84.2	Confident	12 Å²	12	29.7 Å²	29.7	6%	0.062	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-24.8	176.2	-56.8	169.5	0	0	0	110.5	N153 W156 I157 G158 L232 F264 L269 L270	N153-I272 HydrophobicContact CB-CB 4.31Å; N153-I272 HydrophobicContact CB-CG1 3.61Å; N153-I272 VanDerWaalsContact ND2-CG1 3.35Å; N153-I272 WeakPolarHBondContact ND2-CG1 3.46Å; W156-I272 HydrophobicContact CB-CD1 4.49Å; W156-I272 HydrophobicContact CB-CG1 4.42Å; W156-I272 HydrophobicContact CB-CG2 3.72Å; I157-I272 VanDerWaalsContact CA-O 3.29Å; I157-I272 WeakPolarHBondContact CA-O 3.31Å; G158-I272 PolarHBondContact N-O 2.88Å; G158-I272 VanDerWaalsContact N-O 3.16Å; L232-I272 HydrophobicContact CD2-CG2 3.63Å; F264-I272 HydrophobicContact CD2-CB 4.21Å; F264-I272 HydrophobicContact CD2-CG2 4.46Å; F264-I272 HydrophobicContact CE2-CB 3.85Å; F264-I272 HydrophobicContact CE2-CG2 3.64Å; L269-I272 HydrophobicContact CB-CD1 4.33Å; L269-I272 HydrophobicContact CD2-CD1 3.81Å; L269-I272 WeakPolarHBondContact O-CA 3.18Å; L269-I272 VanDerWaalsContact O-CB 3.25Å; L269-I272 WeakPolarHBondContact O-CB 3.34Å; L269-I272 PolarHBondContact O-N 3.16Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.84Å
273	S	87	Confident	84.1	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.014	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-60.4	149.7	-176.3	89.4	0	0	0	0	111.7	N150 W151 N263 L269 L270 K275	N150-S273 VanDerWaalsContact CA-O 3.24Å; N150-S273 WeakPolarHBondContact CA-O 3.47Å; N150-S273 VanDerWaalsContact CB-O 3.3Å; N150-S273 WeakPolarHBondContact CB-O 3.48Å; W151-S273 PolarHBondContact N-O 2.97Å; W151-S273 VanDerWaalsContact N-O 3.16Å; N263-S273 PolarHBondContact ND2-OG 2.99Å; N263-S273 VanDerWaalsContact OD1-CB 3.23Å; N263-S273 WeakPolarHBondContact OD1-CB 3.36Å; L269-S273 PolarHBondContact O-N 2.98Å; L270-S273 WeakPolarHBondContact O-CB 3.41Å; L270-S273 PolarHBondContact O-N 3Å; L270-S273 PolarHBondContact O-OG 2.81Å; S273-K275 PolarHBondContact O-N 3.05Å
274	V	89.1	Confident	83.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136.7	-178	170.2	0	0	0	0	109.7	I147 W151 I157 G158 L159 N263 C277 L295	I147-V274 HydrophobicContact CD1-CG2 4.1Å; I147-V274 HydrophobicContact CG1-CG1 4.44Å; I147-V274 HydrophobicContact CG2-CG1 3.92Å; I147-V274 HydrophobicContact CG2-CG2 3.9Å; W151-V274 PolarHBondContact NE1-O 2.83Å; I157-V274 HydrophobicContact CD1-CG2 3.94Å; I157-V274 HydrophobicContact CG1-CG2 3.85Å; G158-V274 PolarHBondContact O-N 2.91Å; L159-V274 HydrophobicContact CD1-CG2 4.39Å; L159-V274 HydrophobicContact CD2-CB 3.8Å; L159-V274 HydrophobicContact CD2-CG2 3.61Å; L159-V274 HydrophobicContact CG-CB 4.49Å; L159-V274 HydrophobicContact CG-CG2 3.75Å; N263-V274 PolarHBondContact ND2-O 3.35Å; N263-V274 PolarHBondContact OD1-N 3.28Å; V274-C277 HydrophobicContact CG1-CB 4.3Å; V274-L295 HydrophobicContact CB-CD1 3.81Å; V274-L295 HydrophobicContact CG1-CD1 3.62Å; V274-L295 HydrophobicContact CG1-CG 4.4Å
275	K	88.2	Confident	83.6	Confident	57 Å²	57	37.1 Å²	37.1	25%	0.248	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-55.6	179.2	172.4	163.8	-169.9	161	0	112.7	N149 N150 W151 S273 Y294 L295	N149-K275 PolarHBondContact O-N 3.48Å; N149-K275 WeakPolarHBondContact OD1-CB 3.34Å; N150-K275 VanDerWaalsContact O-CB 3.24Å; N150-K275 WeakPolarHBondContact O-CB 3.31Å; N150-K275 WeakPolarHBondContact O-CD 3.13Å; W151-K275 HydrophobicContact CD2-CB 3.97Å; W151-K275 HydrophobicContact CD2-CD 3.71Å; W151-K275 HydrophobicContact CD2-CG 3.87Å; W151-K275 HydrophobicContact CE3-CD 3.69Å; W151-K275 HydrophobicContact CE3-CG 4.29Å; W151-K275 HydrophobicContact CG-CB 3.89Å; W151-K275 HydrophobicContact CG-CD 4.26Å; W151-K275 HydrophobicContact CG-CG 4.33Å; W151-K275 HydrophobicContact CH2-CD 4.22Å; W151-K275 HydrophobicContact CH2-CG 4.28Å; W151-K275 HydrophobicContact CZ2-CB 4.47Å; W151-K275 HydrophobicContact CZ2-CD 4.23Å; W151-K275 HydrophobicContact CZ2-CG 3.86Å; W151-K275 HydrophobicContact CZ3-CD 3.98Å; W151-K275 VanDerWaalsContact CZ3-CE 3.48Å; W151-K275 HydrophobicContact CZ3-CG 4.49Å; W151-K275 VanDerWaalsContact CZ3-NZ 3.26Å; S273-K275 PolarHBondContact O-N 3.05Å; K275-Y294 HydrophobicContact CD-CD1 4.44Å; K275-Y294 HydrophobicContact CD-CE1 4.48Å; K275-Y294 HydrophobicContact CG-CD1 3.62Å; K275-Y294 HydrophobicContact CG-CE1 4Å; K275-Y294 CarbonylContact O-C 3.6Å; K275-Y294 WeakPolarHBondContact O-CA 3.37Å; K275-Y294 WeakPolarHBondContact O-CD1 3.42Å; K275-L295 PolarHBondContact O-N 3.14Å
276	K	87.9	Confident	84	Confident	58 Å²	58	42.1 Å²	42.1	25%	0.252	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.8	177.9	-161.7	-164	174.9	-165	0	111.2	F148 N149 N292 D293 Y294	F148-K276 HydrophobicContact CD2-CB 4.49Å; F148-K276 HydrophobicContact CD2-CD 4.19Å; F148-K276 HydrophobicContact CD2-CG 4.35Å; F148-K276 PolarHBondContact N-O 3.46Å; F148-K276 VanDerWaalsContact N-O 3.11Å; N149-K276 WeakPolarHBondContact OD1-CB 3.45Å; N149-K276 PolarHBondContact OD1-N 3.36Å; K276-N292 WeakPolarHBondContact CE-OD1 3.44Å; K276-N292 PolarHBondContact NZ-OD1 2.84Å; K276-D293 VanDerWaalsContact CG-O 3.3Å; K276-D293 WeakPolarHBondContact CG-O 3.35Å; K276-Y294 HydrophobicContact CB-CD1 3.87Å; K276-Y294 HydrophobicContact CB-CE1 3.88Å; K276-Y294 HydrophobicContact CD-CE1 4.43Å; K276-Y294 HydrophobicContact CG-CD1 4.16Å; K276-Y294 HydrophobicContact CG-CE1 4.13Å
277	C	90.5	Very high	84.5	Confident	1 Å²	1	46 Å²	46	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	166.9	170.5	65.1	0	0	0	0	113	L145 D146 I147 V274 Y291 D293	L145-C277 HydrophobicContact CD1-CB 3.75Å; D146-C277 CarbonylContact O-C 3.58Å; D146-C277 WeakPolarHBondContact O-CA 3.24Å; D146-C277 VanDerWaalsContact O-CB 3.24Å; D146-C277 WeakPolarHBondContact O-CB 3.43Å; I147-C277 HydrophobicContact CG1-CB 4.15Å; V274-C277 HydrophobicContact CG1-CB 4.3Å; C277-Y291 VanDerWaalsContact SG-CE1 3.54Å; C277-D293 PolarHBondContact N-O 3.06Å; C277-D293 PolarHBondContact O-N 3.32Å
278	L	90.7	Very high	85.1	Confident	26 Å²	26	47.4 Å²	47.4	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	114	-179	165.1	71.7	0	0	0	107.2	D146 F148 H280 T289 Y291 N292	D146-L278 HydrophobicContact CB-CB 4.18Å; D146-L278 HydrophobicContact CB-CD2 4.48Å; D146-L278 PolarHBondContact N-O 3.36Å; D146-L278 PolarHBondContact O-N 3.41Å; F148-L278 HydrophobicContact CE2-CB 3.57Å; F148-L278 HydrophobicContact CE2-CD2 4.32Å; F148-L278 HydrophobicContact CZ-CB 3.91Å; F148-L278 HydrophobicContact CZ-CD2 3.85Å; L278-H280 WeakPolarHBondContact CD2-NE2 3.49Å; L278-H280 WeakPolarHBondContact CG-NE2 3.36Å; L278-T289 HydrophobicContact CD1-CG2 3.7Å; L278-Y291 CarbonylContact C-O 3.45Å; L278-Y291 VanDerWaalsContact CA-O 3.3Å; L278-Y291 WeakPolarHBondContact CA-O 3.28Å; L278-Y291 WeakPolarHBondContact CD1-O 3.48Å; L278-N292 HydrophobicContact CD1-CB 3.64Å
279	L	92.7	Very high	85.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.3	176.9	-174.3	66.4	0	0	0	109	H144 L145 F244 I259 L290 Y291 I323	H144-L279 CarbonylContact O-C 3.59Å; H144-L279 WeakPolarHBondContact O-CA 3.26Å; L145-L279 HydrophobicContact CB-CD1 3.94Å; L145-L279 HydrophobicContact CD1-CB 4.23Å; L145-L279 HydrophobicContact CD1-CD1 4.23Å; F244-L279 HydrophobicContact CE1-CD1 4.36Å; F244-L279 HydrophobicContact CZ-CD1 4.32Å; I259-L279 HydrophobicContact CD1-CD2 4.03Å; I259-L279 HydrophobicContact CG2-CD2 4.4Å; L279-L290 HydrophobicContact CB-CB 4.35Å; L279-L290 HydrophobicContact CD2-CB 4.01Å; L279-L290 HydrophobicContact CD2-CD1 4.27Å; L279-L290 HydrophobicContact CG-CB 4.08Å; L279-L290 HydrophobicContact CG-CD1 4.44Å; L279-L290 PolarHBondContact O-N 3.49Å; L279-Y291 PolarHBondContact N-O 2.62Å; L279-Y291 PolarHBondContact O-N 2.95Å; L279-Y291 VanDerWaalsContact O-N 3.13Å; L279-I323 HydrophobicContact CD2-CB 4.47Å; L279-I323 HydrophobicContact CD2-CD1 4.3Å; L279-I323 HydrophobicContact CD2-CG1 4.32Å; L279-I323 HydrophobicContact CD2-CG2 4.47Å
280	H	91.6	Very high	86.2	Confident	30 Å²	30	40 Å²	40	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.1	167.4	-64.4	-78.1	0	0	0	110.4	F143 H144 L278 I287 R288 T289	F143-H280 WeakPolarHBondContact CA-O 3.38Å; H144-H280 HydrophobicContact CB-CB 4.47Å; H144-H280 PolarHBondContact N-O 3.32Å; H144-H280 PolarHBondContact O-N 3.01Å; L278-H280 WeakPolarHBondContact CD2-NE2 3.49Å; L278-H280 WeakPolarHBondContact CG-NE2 3.36Å; H280-I287 HydrophobicContact CB-CG2 3.84Å; H280-R288 WeakPolarHBondContact CA-O 3.38Å; H280-T289 PolarHBondContact CE1-OG1 3.45Å; H280-T289 PolarHBondContact ND1-OG1 3.03Å
281	V	92.1	Very high	86.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.6	158.3	65.9	0	0	0	0	109.4	L141 I142 F143 R288 L290 I330	L141-V281 HydrophobicContact CD1-CG2 3.43Å; L141-V281 VanDerWaalsContact CD1-CG2 3.43Å; L141-V281 HydrophobicContact CD2-CG2 4.49Å; L141-V281 HydrophobicContact CG-CG2 3.81Å; I142-V281 CarbonylContact O-C 3.56Å; I142-V281 WeakPolarHBondContact O-CA 3.42Å; F143-V281 HydrophobicContact CD1-CB 3.81Å; F143-V281 HydrophobicContact CD1-CG2 3.86Å; F143-V281 HydrophobicContact CE1-CB 3.73Å; F143-V281 HydrophobicContact CE1-CG2 3.55Å; F143-V281 HydrophobicContact CE2-CG2 4.46Å; F143-V281 HydrophobicContact CG-CG2 4.44Å; F143-V281 HydrophobicContact CZ-CG2 3.89Å; V281-R288 HydrophobicContact CG1-CB 4.01Å; V281-R288 PolarHBondContact N-O 3.2Å; V281-R288 PolarHBondContact O-N 3.29Å; V281-L290 HydrophobicContact CB-CD1 3.63Å; V281-L290 HydrophobicContact CB-CG 4.19Å; V281-L290 HydrophobicContact CG1-CD1 3.7Å; V281-L290 HydrophobicContact CG1-CD2 4.01Å; V281-L290 HydrophobicContact CG1-CG 3.82Å; V281-I330 HydrophobicContact CB-CD1 4.47Å; V281-I330 HydrophobicContact CG1-CD1 3.74Å; V281-I330 HydrophobicContact CG1-CG1 4.15Å; V281-I330 HydrophobicContact CG2-CD1 4.1Å
282	I	91.1	Very high	86.7	Confident	17 Å²	17	41 Å²	41	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.8	-177.4	-50.9	-174.4	0	0	0	108.5	I142 H144 K286 I287	I142-I282 HydrophobicContact CB-CB 4.24Å; I142-I282 PolarHBondContact N-O 2.78Å; I142-I282 PolarHBondContact O-N 2.91Å; H144-I282 VanDerWaalsContact CE1-CD1 3.47Å; H144-I282 WeakPolarHBondContact CE1-CD1 3.46Å; H144-I282 WeakPolarHBondContact ND1-CD1 3.48Å; I282-K286 VanDerWaalsContact CA-O 3.29Å; I282-K286 WeakPolarHBondContact CA-O 3.22Å; I282-I287 HydrophobicContact CD1-CD1 4.18Å; I282-I287 HydrophobicContact CD1-CG1 3.98Å; I282-I287 HydrophobicContact CD1-CG2 4.43Å; I282-I287 HydrophobicContact CG1-CB 4.34Å; I282-I287 HydrophobicContact CG1-CG1 3.96Å; I282-I287 HydrophobicContact CG1-CG2 4.07Å; I282-I287 HydrophobicContact CG2-CG1 4.26Å
283	Y	88	Confident	86.5	Confident	6 Å²	6	41.8 Å²	41.8	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.1	176.5	177.9	-113.2	0	0	0	109.4	L248 N285 K286 I330 I331	L248-Y283 HydrophobicContact CD1-CE2 3.91Å; L248-Y283 HydrophobicContact CD2-CD2 4.36Å; L248-Y283 HydrophobicContact CD2-CE2 3.97Å; L248-Y283 HydrophobicContact CG-CE2 4.39Å; Y283-N285 VanDerWaalsContact C-N 3.26Å; Y283-N285 PolarHBondContact O-N 2.88Å; Y283-K286 PolarHBondContact N-O 3.4Å; Y283-K286 WeakPolarHBondContact O-CB 3.4Å; Y283-K286 PolarHBondContact O-N 3.34Å; Y283-I330 HydrophobicContact CD1-CG2 4.41Å; Y283-I330 HydrophobicContact CG-CG2 4.34Å; Y283-I331 HydrophobicContact CD1-CB 4.47Å; Y283-I331 HydrophobicContact CD1-CG1 3.85Å; Y283-I331 HydrophobicContact CD1-CG2 4.49Å; Y283-I331 HydrophobicContact CD2-CD1 4.44Å; Y283-I331 HydrophobicContact CE1-CB 4.12Å; Y283-I331 HydrophobicContact CE1-CD1 4.39Å; Y283-I331 HydrophobicContact CE1-CG1 3.85Å; Y283-I331 HydrophobicContact CE1-CG2 3.67Å; Y283-I331 HydrophobicContact CE2-CD1 4.3Å; Y283-I331 HydrophobicContact CG-CG1 4.22Å
284	N	82.3	Confident	86.3	Confident	38 Å²	38	47.4 Å²	47.4	20%	0.203	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	50.3	-177.7	-64.2	-1.2	0	0	0	113.1	D138 K286 Q335	D138-N284 WeakPolarHBondContact CA-OD1 3.41Å; N284-K286 PolarHBondContact O-N 3.45Å; N284-Q335 PolarHBondContact ND2-OE1 3.38Å
285	N	76.2	Confident	86	Confident	123 Å²	123	47.5 Å²	47.5	66%	0.658	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	2.6	-175.3	-64.5	-38.7	0	0	0	117.1	Y283	Y283-N285 VanDerWaalsContact C-N 3.26Å; Y283-N285 PolarHBondContact O-N 2.88Å
286	K	79.4	Confident	85.2	Confident	134 Å²	134	46.9 Å²	46.9	58%	0.583	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.5	168.8	-60.6	176.7	-177	173.9	0	109.5	I282 Y283 N284	I282-K286 VanDerWaalsContact CA-O 3.29Å; I282-K286 WeakPolarHBondContact CA-O 3.22Å; Y283-K286 PolarHBondContact N-O 3.4Å; Y283-K286 WeakPolarHBondContact O-CB 3.4Å; Y283-K286 PolarHBondContact O-N 3.34Å; N284-K286 PolarHBondContact O-N 3.45Å
287	I	84	Confident	84.5	Confident	111 Å²	111	48 Å²	48	57%	0.569	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112	123.8	177.7	-50.7	178.1	0	0	0	108.8	H280 I282	H280-I287 HydrophobicContact CB-CG2 3.84Å; I282-I287 HydrophobicContact CD1-CD1 4.18Å; I282-I287 HydrophobicContact CD1-CG1 3.98Å; I282-I287 HydrophobicContact CD1-CG2 4.43Å; I282-I287 HydrophobicContact CG1-CB 4.34Å; I282-I287 HydrophobicContact CG1-CG1 3.96Å; I282-I287 HydrophobicContact CG1-CG2 4.07Å; I282-I287 HydrophobicContact CG2-CG1 4.26Å
288	R	82.8	Confident	83.5	Confident	81 Å²	81	48.3 Å²	48.3	31%	0.306	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.2	173.3	-174.9	175.3	177.4	-149.4	-8	109.7	H280 V281 E329	H280-R288 WeakPolarHBondContact CA-O 3.38Å; V281-R288 HydrophobicContact CG1-CB 4.01Å; V281-R288 PolarHBondContact N-O 3.2Å; V281-R288 PolarHBondContact O-N 3.29Å; R288-E329 IonicContact CZ-OE2 3.66Å; R288-E329 VanDerWaalsContact CZ-OE2 3.24Å; R288-E329 PolarHBondContact NH1-O 3.08Å; R288-E329 IonicContact NH1-OE2 3.33Å; R288-E329 PolarHBondContact NH1-OE2 3.11Å; R288-E329 IonicContact NH2-OE2 3.43Å; R288-E329 PolarHBondContact NH2-OE2 2.75Å
289	T	85.4	Confident	81.8	Confident	49 Å²	49	52 Å²	52	30%	0.301	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.6	175.9	-49.2	0	0	0	0	110.1	L278 H280 N292 Q675	L278-T289 HydrophobicContact CD1-CG2 3.7Å; H280-T289 PolarHBondContact CE1-OG1 3.45Å; H280-T289 PolarHBondContact ND1-OG1 3.03Å; T289-N292 HydrophobicContact CG2-CB 4.25Å; T289-Q675 PolarHBondContact O-NE2 3.38Å
290	L	83.8	Confident	79.9	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-15.9	-179.8	-64.3	-178.6	0	0	0	113.6	F143 L279 V281 I323 L325 W673	F143-L290 HydrophobicContact CD1-CD1 4.04Å; F143-L290 HydrophobicContact CE1-CD1 3.76Å; L279-L290 HydrophobicContact CB-CB 4.35Å; L279-L290 HydrophobicContact CD2-CB 4.01Å; L279-L290 HydrophobicContact CD2-CD1 4.27Å; L279-L290 HydrophobicContact CG-CB 4.08Å; L279-L290 HydrophobicContact CG-CD1 4.44Å; L279-L290 PolarHBondContact O-N 3.49Å; V281-L290 HydrophobicContact CB-CD1 3.63Å; V281-L290 HydrophobicContact CB-CG 4.19Å; V281-L290 HydrophobicContact CG1-CD1 3.7Å; V281-L290 HydrophobicContact CG1-CD2 4.01Å; V281-L290 HydrophobicContact CG1-CG 3.82Å; L290-I323 HydrophobicContact CB-CG2 4.12Å; L290-I323 WeakPolarHBondContact O-CG2 3.49Å; L290-L325 HydrophobicContact CD1-CD1 4.08Å; L290-L325 HydrophobicContact CD1-CD2 3.98Å; L290-L325 HydrophobicContact CD2-CB 4.46Å; L290-W673 WeakPolarHBondContact O-CB 3.39Å
291	Y	84.1	Confident	77.7	Confident	14 Å²	14	56.6 Å²	56.6	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	145.9	173.1	-175.3	-97.4	0	0	0	109.9	C277 L278 L279 D293 Y294 L295 T321 I323	C277-Y291 VanDerWaalsContact SG-CE1 3.54Å; L278-Y291 CarbonylContact C-O 3.45Å; L278-Y291 VanDerWaalsContact CA-O 3.3Å; L278-Y291 WeakPolarHBondContact CA-O 3.28Å; L278-Y291 WeakPolarHBondContact CD1-O 3.48Å; L279-Y291 PolarHBondContact N-O 2.62Å; L279-Y291 PolarHBondContact O-N 2.95Å; L279-Y291 VanDerWaalsContact O-N 3.13Å; Y291-D293 HydrophobicContact CE1-CB 3.98Å; Y291-D293 WeakPolarHBondContact CE1-O 3.11Å; Y291-D293 HydrophobicContact CE2-CB 4.07Å; Y291-Y294 PolarHBondContact OH-O 3.15Å; Y291-L295 HydrophobicContact CE1-CD2 4.15Å; Y291-T321 HydrophobicContact CD2-CG2 4.19Å; Y291-T321 HydrophobicContact CE2-CG2 3.53Å; Y291-I323 HydrophobicContact CD2-CG1 4.19Å; Y291-I323 HydrophobicContact CG-CG1 4.46Å
292	N	87.6	Confident	75.3	Confident	89 Å²	89	63.1 Å²	63.1	48%	0.476	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	70.7	175.4	-179.8	12.2	0	0	0	110.5	K276 L278 T289	K276-N292 WeakPolarHBondContact CE-OD1 3.44Å; K276-N292 PolarHBondContact NZ-OD1 2.84Å; L278-N292 HydrophobicContact CD1-CB 3.64Å; T289-N292 HydrophobicContact CG2-CB 4.25Å
293	D	81.5	Confident	72.7	Confident	30 Å²	30	66 Å²	66	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-173.4	-172.3	-164.4	26.3	0	0	0	112.2	K276 C277 Y291 K672	K276-D293 VanDerWaalsContact CG-O 3.3Å; K276-D293 WeakPolarHBondContact CG-O 3.35Å; C277-D293 PolarHBondContact N-O 3.06Å; C277-D293 PolarHBondContact O-N 3.32Å; Y291-D293 HydrophobicContact CE1-CB 3.98Å; Y291-D293 WeakPolarHBondContact CE1-O 3.11Å; Y291-D293 HydrophobicContact CE2-CB 4.07Å; D293-K672 HydrophobicContact CB-CD 4.41Å; D293-K672 IonicContact OD1-NZ 2.74Å; D293-K672 PolarHBondContact OD1-NZ 3.34Å; D293-K672 WeakPolarHBondContact OD2-CD 3.27Å; D293-K672 WeakPolarHBondContact OD2-CE 3.37Å; D293-K672 IonicContact OD2-NZ 3.62Å; D293-K672 PolarHBondContact OD2-NZ 3.03Å
294	Y	82.5	Confident	70.3	Confident	120 Å²	120	74.3 Å²	74.3	47%	0.471	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.9	174.1	-62.7	-83.2	0	0	0	112	K275 K276 Y291	K275-Y294 HydrophobicContact CD-CD1 4.44Å; K275-Y294 HydrophobicContact CD-CE1 4.48Å; K275-Y294 HydrophobicContact CG-CD1 3.62Å; K275-Y294 HydrophobicContact CG-CE1 4Å; K275-Y294 CarbonylContact O-C 3.6Å; K275-Y294 WeakPolarHBondContact O-CA 3.37Å; K275-Y294 WeakPolarHBondContact O-CD1 3.42Å; K276-Y294 HydrophobicContact CB-CD1 3.87Å; K276-Y294 HydrophobicContact CB-CE1 3.88Å; K276-Y294 HydrophobicContact CD-CE1 4.43Å; K276-Y294 HydrophobicContact CG-CD1 4.16Å; K276-Y294 HydrophobicContact CG-CE1 4.13Å; Y291-Y294 PolarHBondContact OH-O 3.15Å
295	L	83.5	Confident	67.9	Low	2 Å²	2	80.2 Å²	80.2	1%	0.01	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.2	167.3	-63.4	-179.4	0	0	0	109.6	W151 L159 I261 V274 K275 Y291 T321	W151-L295 WeakPolarHBondContact CZ2-O 3.42Å; W151-L295 PolarHBondContact NE1-O 2.88Å; L159-L295 HydrophobicContact CD2-CD1 4.12Å; I261-L295 HydrophobicContact CB-CD2 4.45Å; I261-L295 HydrophobicContact CG2-CD1 3.85Å; I261-L295 HydrophobicContact CG2-CD2 4.33Å; V274-L295 HydrophobicContact CB-CD1 3.81Å; V274-L295 HydrophobicContact CG1-CD1 3.62Å; V274-L295 HydrophobicContact CG1-CG 4.4Å; K275-L295 PolarHBondContact O-N 3.14Å; Y291-L295 HydrophobicContact CE1-CD2 4.15Å; L295-T321 HydrophobicContact CD2-CG2 3.99Å; L295-T321 WeakPolarHBondContact CD2-OG1 3.38Å
296	P	71.6	Confident	65.8	Low	44 Å²	44	77.2 Å²	77.2	29%	0.286	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.3	148.9	-175	24.6	-34.6	0	0	0	113	N263 D318 T321	N263-P296 PolarHBondContact ND2-O 3.47Å; P296-D318 VanDerWaalsContact CB-O 3.31Å; P296-D318 WeakPolarHBondContact CB-O 3.42Å; P296-D318 WeakPolarHBondContact CG-O 3.49Å; P296-T321 VanDerWaalsContact CD-OG1 3.23Å; P296-T321 WeakPolarHBondContact CD-OG1 3.24Å
297	Y	74.1	Confident	63.3	Low	82 Å²	82	76.8 Å²	76.8	32%	0.322	40%	0.4	S	S	.	.			trans	-104.9	109.4	169	-176.4	-95.5	0	0	0	108.9	W151 L270 N299	W151-Y297 HydrophobicContact CB-CD2 3.76Å; W151-Y297 HydrophobicContact CB-CE2 3.91Å; W151-Y297 AromaticContact CD1-CD2 3.89Å; W151-Y297 AromaticContact CD2-CD2 3.57Å; W151-Y297 HydrophobicContact CD2-CD2 3.57Å; W151-Y297 HydrophobicContact CD2-CE2 4.47Å; W151-Y297 HydrophobicContact CD2-CG 4.07Å; W151-Y297 AromaticContact CE3-CD2 3.94Å; W151-Y297 HydrophobicContact CE3-CD2 3.94Å; W151-Y297 HydrophobicContact CE3-CG 4.2Å; W151-Y297 AromaticContact CG-CD2 3.45Å; W151-Y297 HydrophobicContact CG-CD2 3.45Å; W151-Y297 VanDerWaalsContact CG-CD2 3.45Å; W151-Y297 HydrophobicContact CG-CE2 4.13Å; W151-Y297 HydrophobicContact CG-CG 4.38Å; L270-Y297 HydrophobicContact CB-CE2 3.77Å; Y297-N299 HydrophobicContact CD1-CB 4.34Å; Y297-N299 PolarHBondContact O-N 3.01Å
298	I	68.4	Low	60.9	Low	7 Å²	7	75.9 Å²	75.9	4%	0.036	40%	0.403	C	S	.	.			trans	-70.1	112.6	-178.6	-43.9	175.1	0	0	0	108.6	F264 L265 L270 T300 D318 S319	F264-I298 WeakPolarHBondContact O-CD1 3.35Å; L265-I298 HydrophobicContact CD2-CD1 4.09Å; L270-I298 VanDerWaalsContact CD1-O 3.27Å; L270-I298 WeakPolarHBondContact CD1-O 3.24Å; L270-I298 HydrophobicContact CD2-CB 3.86Å; L270-I298 HydrophobicContact CD2-CD1 4.41Å; L270-I298 HydrophobicContact CD2-CG1 4.3Å; I298-T300 HydrophobicContact CG2-CG2 3.96Å; I298-D318 HydrophobicContact CG2-CB 4.43Å; I298-S319 VanDerWaalsContact CD1-CB 3.44Å
299	N	55.8	Low	58.4	Low	104 Å²	104	78.9 Å²	78.9	56%	0.556	43%	0.426	S	S	*	.			trans	-103.8	85	-172.4	-163.6	34.1	0	0	0	111.3	Y297 T301	Y297-N299 HydrophobicContact CD1-CB 4.34Å; Y297-N299 PolarHBondContact O-N 3.01Å; N299-T301 PolarHBondContact O-N 3.05Å
300	T	52.5	Low	55.9	Low	36 Å²	36	83.5 Å²	83.5	22%	0.221	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-77.1	19.9	-168.1	61.1	0	0	0	0	115.6	T267 I298 N302	T267-T300 HydrophobicContact CG2-CG2 3.69Å; T267-T300 WeakPolarHBondContact CG2-OG1 3.38Å; I298-T300 HydrophobicContact CG2-CG2 3.96Å; T300-N302 PolarHBondContact O-N 2.95Å
301	T	45.2	Very low	53.5	Low	92 Å²	92	88.8 Å²	88.8	56%	0.564	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-68.3	-13.9	-175.8	50.4	0	0	0	0	114.5	N299	N299-T301 PolarHBondContact O-N 3.05Å
302	N	40.9	Very low	51.2	Low	139 Å²	139	94.1 Å²	94.1	74%	0.743	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-92.7	-15.7	-173.2	-66.3	3	0	0	0	114.5	T300	T300-N302 PolarHBondContact O-N 2.95Å
303	N	37.7	Very low	48.9	Very low	78 Å²	78	95.4 Å²	95.4	42%	0.417	51%	0.513	S	S	.	.			trans	-97.4	2.9	-168.9	-71.9	6.2	0	0	0	115.2	N305 S306	N303-N305 PolarHBondContact O-N 3.37Å; N303-S306 PolarHBondContact O-OG 2.85Å
304	Y	36.5	Very low	47.1	Very low	180 Å²	180	99.4 Å²	99.4	71%	0.706	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.4	-175.8	-89.7	-80.1	0	0	0	115.6
305	N	32.4	Very low	45.4	Very low	162 Å²	162	95.2 Å²	95.2	87%	0.866	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	1.4	-179.4	-74.2	-7.3	0	0	0	114.6	N303	N303-N305 PolarHBondContact O-N 3.37Å
306	S	31.2	Very low	44	Very low	59 Å²	59	97.4 Å²	97.4	41%	0.413	53%	0.529	S	S	.	.			trans	-107.4	73.1	-179.1	59	0	0	0	0	111.9	N303 S308	N303-S306 PolarHBondContact O-OG 2.85Å; S306-S308 PolarHBondContact O-N 3.33Å
307	S	28.6	Very low	43.2	Very low	126 Å²	126	102 Å²	102	88%	0.881	55%	0.547	S	S	*	.			trans	-78.2	50.5	177.5	63.9	0	0	0	0	113
308	S	33.5	Very low	42.7	Very low	91 Å²	91	101.8 Å²	101.8	64%	0.636	55%	0.551	S	S	*	*	S	Bend	trans	-159.6	118.7	175.2	57.8	0	0	0	0	111.3	S306	S306-S308 PolarHBondContact O-N 3.33Å
309	N	28.9	Very low	43	Very low	145 Å²	145	101.4 Å²	101.4	78%	0.775	55%	0.55	S	S	*	.	S	Bend	trans	5.6	139.9	163.3	-55.7	-7.3	0	0	0	120.7
310	N	33	Very low	44.3	Very low	145 Å²	145	97.7 Å²	97.7	78%	0.775	53%	0.531	S	S	*	.			trans	97.7	-11.8	155.9	-57.2	-6.2	0	0	0	120.5	N312	N310-N312 VanDerWaalsContact C-N 3.33Å; N310-N312 PolarHBondContact O-N 3.07Å
311	N	34.7	Very low	45.8	Very low	120 Å²	120	97 Å²	97	64%	0.642	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	20.4	-176	-76.8	5.1	0	0	0	116.6	N313	N311-N313 PolarHBondContact O-N 3.4Å
312	N	36.1	Very low	47.7	Very low	125 Å²	125	95 Å²	95	67%	0.668	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.3	-173.6	-76.6	-4.7	0	0	0	115	N310 H314 C315	N310-N312 VanDerWaalsContact C-N 3.33Å; N310-N312 PolarHBondContact O-N 3.07Å; N312-H314 VanDerWaalsContact C-N 3.33Å; N312-H314 PolarHBondContact O-N 2.93Å; N312-C315 PolarHBondContact O-N 3.35Å
313	N	38.7	Very low	49.9	Very low	117 Å²	117	88.4 Å²	88.4	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-65	-30.9	-168	-67.5	3.5	0	0	0	114.1	N311 I316 H317	N311-N313 PolarHBondContact O-N 3.4Å; N313-I316 PolarHBondContact O-N 3.37Å; N313-H317 PolarHBondContact O-CD2 3.47Å
314	H	42.5	Very low	52	Low	114 Å²	114	85.8 Å²	85.8	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-65	-44.7	-177.5	-92.3	-73	0	0	0	112.9	N312 I316 H317 R636	N312-H314 VanDerWaalsContact C-N 3.33Å; N312-H314 PolarHBondContact O-N 2.93Å; H314-I316 PolarHBondContact O-N 2.92Å; H314-I316 VanDerWaalsContact O-N 3.13Å; H314-H317 PolarHBondContact O-N 3.5Å; H314-R636 PolarHBondContact NE2-NH2 3.22Å
315	C	47.7	Very low	54.4	Low	32 Å²	32	77.3 Å²	77.3	22%	0.216	43%	0.433	C	S	.	.	H	α-helix	trans	-68.1	-12.5	179.8	-61.5	0	0	0	0	114	L265 N312	L265-C315 WeakPolarHBondContact CD2-O 3.34Å; N312-C315 PolarHBondContact O-N 3.35Å
316	I	53.5	Low	56.8	Low	47 Å²	47	70.8 Å²	70.8	24%	0.241	40%	0.398	C	S	.	.	H	α-helix	trans	-76.3	-46.7	177.6	-63.8	175.6	0	0	0	110.5	Y223 W262 L265 N313 H314 D318 S319	Y223-I316 HydrophobicContact CD1-CG2 3.71Å; Y223-I316 HydrophobicContact CE1-CG2 3.55Å; W262-I316 HydrophobicContact CZ3-CG2 4.29Å; L265-I316 HydrophobicContact CD2-CG1 4.49Å; N313-I316 PolarHBondContact O-N 3.37Å; H314-I316 PolarHBondContact O-N 2.92Å; H314-I316 VanDerWaalsContact O-N 3.13Å; I316-D318 VanDerWaalsContact C-N 3.28Å; I316-D318 PolarHBondContact O-N 3.42Å; I316-S319 WeakPolarHBondContact O-CB 3.32Å; I316-S319 PolarHBondContact O-N 2.99Å; I316-S319 VanDerWaalsContact O-N 3.1Å; I316-S319 PolarHBondContact O-OG 3.24Å
317	H	54.9	Low	59.2	Low	142 Å²	142	68.1 Å²	68.1	66%	0.657	38%	0.379	S	S	*	.	H	α-helix	trans	-65.6	-32.3	177.8	-68.6	-79.9	0	0	0	112.4	N313 H314 S319 V320	N313-H317 PolarHBondContact O-CD2 3.47Å; H314-H317 PolarHBondContact O-N 3.5Å; H317-S319 PolarHBondContact O-N 3.41Å; H317-S319 VanDerWaalsContact O-N 3.16Å; H317-V320 PolarHBondContact O-N 2.84Å
318	D	63.9	Low	61.7	Low	76 Å²	76	64.7 Å²	64.7	41%	0.406	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.4	173.8	-63.9	-20	0	0	0	113.9	P296 I298 I316	P296-D318 VanDerWaalsContact CB-O 3.31Å; P296-D318 WeakPolarHBondContact CB-O 3.42Å; P296-D318 WeakPolarHBondContact CG-O 3.49Å; I298-D318 HydrophobicContact CG2-CB 4.43Å; I316-D318 VanDerWaalsContact C-N 3.28Å; I316-D318 PolarHBondContact O-N 3.42Å
319	S	75.2	Confident	63.8	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-18.2	-176.8	76.8	0	0	0	0	114.7	N263 I298 I316 H317	N263-S319 WeakPolarHBondContact CB-O 3.43Å; N263-S319 PolarHBondContact N-O 3.01Å; I298-S319 VanDerWaalsContact CD1-CB 3.44Å; I316-S319 WeakPolarHBondContact O-CB 3.32Å; I316-S319 PolarHBondContact O-N 2.99Å; I316-S319 VanDerWaalsContact O-N 3.1Å; I316-S319 PolarHBondContact O-OG 3.24Å; H317-S319 PolarHBondContact O-N 3.41Å; H317-S319 VanDerWaalsContact O-N 3.16Å
320	V	82.6	Confident	66.2	Low	26 Å²	26	57.6 Å²	57.6	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.9	-166.6	65.4	0	0	0	0	111.8	N260 I261 W262 H317	N260-V320 HydrophobicContact CB-CG2 3.72Å; I261-V320 WeakPolarHBondContact O-CA 3.38Å; W262-V320 HydrophobicContact CD2-CB 4.04Å; W262-V320 HydrophobicContact CD2-CG2 3.76Å; W262-V320 HydrophobicContact CE3-CB 3.69Å; W262-V320 HydrophobicContact CE3-CG2 3.95Å; W262-V320 HydrophobicContact CG-CG2 4.31Å; W262-V320 HydrophobicContact CH2-CB 4.13Å; W262-V320 HydrophobicContact CH2-CG1 4.34Å; W262-V320 HydrophobicContact CH2-CG2 4.12Å; W262-V320 HydrophobicContact CZ2-CB 4.48Å; W262-V320 HydrophobicContact CZ2-CG2 3.98Å; W262-V320 HydrophobicContact CZ3-CB 3.74Å; W262-V320 HydrophobicContact CZ3-CG1 4.18Å; W262-V320 HydrophobicContact CZ3-CG2 4.12Å; H317-V320 PolarHBondContact O-N 2.84Å
321	T	84.9	Confident	68.4	Low	21 Å²	21	50.7 Å²	50.7	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.3	169.2	-63.6	0	0	0	0	109	I261 Y291 L295 P296 I323	I261-T321 PolarHBondContact N-O 2.86Å; I261-T321 PolarHBondContact O-N 3.32Å; Y291-T321 HydrophobicContact CD2-CG2 4.19Å; Y291-T321 HydrophobicContact CE2-CG2 3.53Å; L295-T321 HydrophobicContact CD2-CG2 3.99Å; L295-T321 WeakPolarHBondContact CD2-OG1 3.38Å; P296-T321 VanDerWaalsContact CD-OG1 3.23Å; P296-T321 WeakPolarHBondContact CD-OG1 3.24Å; T321-I323 HydrophobicContact CG2-CD1 4.14Å
322	S	84.9	Confident	70.4	Confident	49 Å²	49	47.2 Å²	47.2	34%	0.343	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	179.4	-58.5	0	0	0	0	111.4	I259 N260 W673	I259-S322 WeakPolarHBondContact O-CA 3.24Å; N260-S322 WeakPolarHBondContact OD1-CB 3.39Å; N260-S322 PolarHBondContact OD1-OG 3.37Å; S322-W673 PolarHBondContact O-NE1 3.31Å
323	I	85.7	Confident	72	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	174.8	-56.3	89.2	0	0	0	107.4	Q258 I259 I261 L279 L290 Y291 T321 L325 W673	Q258-I323 CarbonylContact C-O 3.42Å; Q258-I323 WeakPolarHBondContact CA-O 3.29Å; I259-I323 PolarHBondContact N-O 2.73Å; I259-I323 PolarHBondContact O-N 2.99Å; I261-I323 HydrophobicContact CD1-CD1 3.93Å; I261-I323 HydrophobicContact CG1-CD1 4.13Å; L279-I323 HydrophobicContact CD2-CB 4.47Å; L279-I323 HydrophobicContact CD2-CD1 4.3Å; L279-I323 HydrophobicContact CD2-CG1 4.32Å; L279-I323 HydrophobicContact CD2-CG2 4.47Å; L290-I323 HydrophobicContact CB-CG2 4.12Å; L290-I323 WeakPolarHBondContact O-CG2 3.49Å; Y291-I323 HydrophobicContact CD2-CG1 4.19Å; Y291-I323 HydrophobicContact CG-CG1 4.46Å; T321-I323 HydrophobicContact CG2-CD1 4.14Å; I323-L325 HydrophobicContact CG2-CD2 4.25Å; I323-W673 HydrophobicContact CG2-CD2 4.49Å; I323-W673 HydrophobicContact CG2-CG 4.27Å
324	I	83.6	Confident	73.4	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.4	-178.8	-55.6	-159.7	0	0	0	110.2	I256 I257 Q258 L609 W673	I256-I324 HydrophobicContact CG2-CG2 3.33Å; I257-I324 WeakPolarHBondContact O-CA 3.36Å; Q258-I324 HydrophobicContact CB-CD1 3.97Å; Q258-I324 HydrophobicContact CB-CG1 3.91Å; Q258-I324 HydrophobicContact CG-CD1 3.94Å; Q258-I324 HydrophobicContact CG-CG1 3.93Å; I324-L609 HydrophobicContact CB-CD1 4.31Å; I324-L609 HydrophobicContact CD1-CD2 3.59Å; I324-L609 HydrophobicContact CG1-CD2 4.35Å; I324-W673 HydrophobicContact CB-CH2 4.41Å; I324-W673 HydrophobicContact CB-CZ2 4.33Å; I324-W673 WeakPolarHBondContact O-CH2 3.2Å; I324-W673 WeakPolarHBondContact O-CZ3 3.27Å
325	L	86.2	Confident	74.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.4	-177	49.4	144.8	0	0	0	109.7	F143 I257 I259 L290 I323 I330	F143-L325 HydrophobicContact CE1-CD1 4.23Å; F143-L325 HydrophobicContact CZ-CD1 4.4Å; I257-L325 HydrophobicContact CB-CD1 4.27Å; I257-L325 HydrophobicContact CB-CG 4.07Å; I257-L325 HydrophobicContact CD1-CD1 4.34Å; I257-L325 PolarHBondContact N-O 3.49Å; I257-L325 WeakPolarHBondContact O-CD2 3.47Å; I257-L325 PolarHBondContact O-N 2.92Å; I259-L325 HydrophobicContact CD1-CD2 4.24Å; L290-L325 HydrophobicContact CD1-CD1 4.08Å; L290-L325 HydrophobicContact CD1-CD2 3.98Å; L290-L325 HydrophobicContact CD2-CB 4.46Å; I323-L325 HydrophobicContact CG2-CD2 4.25Å; L325-I330 HydrophobicContact CD1-CD1 3.49Å; L325-I330 VanDerWaalsContact CD1-CD1 3.49Å
326	N	81.5	Confident	75.7	Confident	26 Å²	26	43.4 Å²	43.4	14%	0.139	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.7	168.1	-163	-57.5	0	0	0	110	W253 N254 D255 N328 E329	W253-N326 PolarHBondContact O-OD1 3.47Å; N254-N326 PolarHBondContact O-ND2 3.47Å; N254-N326 PolarHBondContact O-OD1 2.84Å; D255-N326 PolarHBondContact O-OD1 3.45Å; N326-N328 WeakPolarHBondContact CB-OD1 3.42Å; N326-N328 VanDerWaalsContact CG-OD1 3.28Å; N326-N328 PolarHBondContact O-N 3.44Å; N326-N328 PolarHBondContact OD1-N 3.19Å; N326-N328 VanDerWaalsContact OD1-N 3.09Å; N326-N328 PolarHBondContact OD1-ND2 3.19Å; N326-N328 PolarHBondContact OD1-OD1 3.24Å; N326-N328 VanDerWaalsContact OD1-OD1 3.11Å; N326-E329 HydrophobicContact CB-CG 4.4Å; N326-E329 PolarHBondContact O-N 2.98Å; N326-E329 VanDerWaalsContact O-N 3.16Å
327	V	83.2	Confident	76.1	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.6	-37.7	176.7	171.5	0	0	0	0	111.9	F251 D255 I257 E329 I330 I331 F336	F251-V327 HydrophobicContact CB-CG2 4.13Å; F251-V327 HydrophobicContact CD1-CG2 4.16Å; F251-V327 HydrophobicContact CG-CG2 4.25Å; D255-V327 HydrophobicContact CB-CG2 4.46Å; D255-V327 WeakPolarHBondContact O-CG2 3.47Å; D255-V327 PolarHBondContact O-N 3.1Å; D255-V327 VanDerWaalsContact O-N 3.09Å; I257-V327 HydrophobicContact CD1-CG2 3.84Å; I257-V327 HydrophobicContact CG1-CG2 4.11Å; V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 3.32Å; V327-I330 PolarHBondContact O-N 2.9Å; V327-I331 HydrophobicContact CG1-CD1 4.11Å; V327-I331 HydrophobicContact CG1-CG1 4.44Å; V327-I331 PolarHBondContact O-N 2.88Å; V327-F336 HydrophobicContact CG1-CD2 3.99Å; V327-F336 HydrophobicContact CG1-CE2 3.7Å
328	N	80.6	Confident	76.1	Confident	55 Å²	55	40 Å²	40	29%	0.294	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-66.1	-21.5	179.1	60.2	28.8	0	0	0	114.4	W253 N254 N326 I330	W253-N328 HydrophobicContact CD2-CB 3.94Å; W253-N328 VanDerWaalsContact CE2-CB 3.41Å; W253-N328 HydrophobicContact CG-CB 4.35Å; W253-N328 HydrophobicContact CH2-CB 4.29Å; W253-N328 HydrophobicContact CZ2-CB 3.62Å; W253-N328 WeakPolarHBondContact O-CB 3.38Å; W253-N328 PolarHBondContact O-N 3.41Å; N254-N328 PolarHBondContact OD1-ND2 3.27Å; N326-N328 WeakPolarHBondContact CB-OD1 3.42Å; N326-N328 VanDerWaalsContact CG-OD1 3.28Å; N326-N328 PolarHBondContact O-N 3.44Å; N326-N328 PolarHBondContact OD1-N 3.19Å; N326-N328 VanDerWaalsContact OD1-N 3.09Å; N326-N328 PolarHBondContact OD1-ND2 3.19Å; N326-N328 PolarHBondContact OD1-OD1 3.24Å; N326-N328 VanDerWaalsContact OD1-OD1 3.11Å; N328-I330 PolarHBondContact O-N 3.31Å
329	E	77.7	Confident	75.4	Confident	60 Å²	60	37.5 Å²	37.5	28%	0.28	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-80.3	0.5	173	-57.9	-162.4	140.3	0	0	113.9	R288 N326 V327 N602	R288-E329 IonicContact CZ-OE2 3.66Å; R288-E329 VanDerWaalsContact CZ-OE2 3.24Å; R288-E329 PolarHBondContact NH1-O 3.08Å; R288-E329 IonicContact NH1-OE2 3.33Å; R288-E329 PolarHBondContact NH1-OE2 3.11Å; R288-E329 IonicContact NH2-OE2 3.43Å; R288-E329 PolarHBondContact NH2-OE2 2.75Å; N326-E329 HydrophobicContact CB-CG 4.4Å; N326-E329 PolarHBondContact O-N 2.98Å; N326-E329 VanDerWaalsContact O-N 3.16Å; V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 3.32Å; E329-N602 PolarHBondContact OE1-ND2 3.35Å
330	I	79.1	Confident	74.1	Confident	26 Å²	26	40.7 Å²	40.7	13%	0.133	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-40	177.2	-60.2	164.1	0	0	0	110.3	L141 V281 Y283 L325 V327 N328	L141-I330 HydrophobicContact CD1-CD1 4.48Å; L141-I330 HydrophobicContact CD1-CG2 3.96Å; V281-I330 HydrophobicContact CB-CD1 4.47Å; V281-I330 HydrophobicContact CG1-CD1 3.74Å; V281-I330 HydrophobicContact CG1-CG1 4.15Å; V281-I330 HydrophobicContact CG2-CD1 4.1Å; Y283-I330 HydrophobicContact CD1-CG2 4.41Å; Y283-I330 HydrophobicContact CG-CG2 4.34Å; L325-I330 HydrophobicContact CD1-CD1 3.49Å; L325-I330 VanDerWaalsContact CD1-CD1 3.49Å; V327-I330 PolarHBondContact O-N 2.9Å; N328-I330 PolarHBondContact O-N 3.31Å
331	I	80.2	Confident	71.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-115.1	110.7	-171.7	-48.4	-174.9	0	0	0	109.7	L248 W253 Y283 V327 Q335 F336	L248-I331 HydrophobicContact CD2-CD1 3.37Å; W253-I331 PolarHBondContact NE1-O 3.2Å; Y283-I331 HydrophobicContact CD1-CB 4.47Å; Y283-I331 HydrophobicContact CD1-CG1 3.85Å; Y283-I331 HydrophobicContact CD1-CG2 4.49Å; Y283-I331 HydrophobicContact CD2-CD1 4.44Å; Y283-I331 HydrophobicContact CE1-CB 4.12Å; Y283-I331 HydrophobicContact CE1-CD1 4.39Å; Y283-I331 HydrophobicContact CE1-CG1 3.85Å; Y283-I331 HydrophobicContact CE1-CG2 3.67Å; Y283-I331 HydrophobicContact CE2-CD1 4.3Å; Y283-I331 HydrophobicContact CG-CG1 4.22Å; V327-I331 HydrophobicContact CG1-CD1 4.11Å; V327-I331 HydrophobicContact CG1-CG1 4.44Å; V327-I331 PolarHBondContact O-N 2.88Å; I331-Q335 HydrophobicContact CG2-CB 4.24Å; I331-F336 HydrophobicContact CB-CD2 4.22Å; I331-F336 HydrophobicContact CD1-CD2 4.08Å; I331-F336 HydrophobicContact CD1-CE2 4.46Å; I331-F336 HydrophobicContact CG2-CB 3.72Å; I331-F336 HydrophobicContact CG2-CD2 3.93Å; I331-F336 HydrophobicContact CG2-CG 4.35Å
332	P	75.4	Confident	69.5	Low	46 Å²	46	53.3 Å²	53.3	30%	0.299	27%	0.265	S	S	.	.			trans	-55.8	143.9	171.2	-24.1	34.2	0	0	0	111.5	E334 Q335 F336	P332-E334 WeakPolarHBondContact CB-OE2 3.33Å; P332-E334 PolarHBondContact O-N 2.97Å; P332-E334 VanDerWaalsContact O-N 3.16Å; P332-Q335 HydrophobicContact CB-CG 4.37Å; P332-Q335 PolarHBondContact O-N 3.05Å; P332-F336 PolarHBondContact O-N 3.26Å
333	F	69.7	Low	66.9	Low	104 Å²	104	57.4 Å²	57.4	46%	0.456	28%	0.283	S	S	.	.	H	α-helix	trans	-51.8	-41.5	-175.1	-178.6	-96.6	0	0	0	112.9	W253 Q335 F336 H337	W253-F333 AromaticContact CD2-CD2 3.77Å; W253-F333 HydrophobicContact CD2-CD2 3.77Å; W253-F333 AromaticContact CE2-CD2 3.88Å; W253-F333 AromaticContact CE3-CD2 3.75Å; W253-F333 HydrophobicContact CE3-CD2 3.75Å; W253-F333 HydrophobicContact CE3-CE2 4.24Å; W253-F333 HydrophobicContact CG-CD2 4.45Å; W253-F333 HydrophobicContact CH2-CB 4.37Å; W253-F333 AromaticContact CH2-CD2 4Å; W253-F333 HydrophobicContact CH2-CD2 4Å; W253-F333 HydrophobicContact CZ2-CB 3.79Å; W253-F333 HydrophobicContact CZ2-CD2 4Å; W253-F333 HydrophobicContact CZ2-CG 4.39Å; W253-F333 AromaticContact CZ3-CD2 3.87Å; W253-F333 HydrophobicContact CZ3-CD2 3.87Å; W253-F333 HydrophobicContact CZ3-CE2 4.44Å; F333-Q335 PolarHBondContact O-N 3.13Å; F333-F336 PolarHBondContact O-N 2.77Å; F333-H337 AromaticContact CD2-CD2 3.7Å; F333-H337 AromaticContact CD2-NE2 3.93Å; F333-H337 AromaticContact CE1-CD2 3.99Å; F333-H337 AromaticContact CE2-CD2 3.37Å; F333-H337 WeakPolarHBondContact CE2-CD2 3.49Å; F333-H337 AromaticContact CE2-NE2 3.35Å; F333-H337 WeakPolarHBondContact CE2-NE2 3.35Å; F333-H337 AromaticContact CZ-CD2 3.52Å; F333-H337 AromaticContact CZ-NE2 3.79Å; F333-H337 PolarHBondContact O-CD2 3.49Å; F333-H337 PolarHBondContact O-N 2.87Å; F333-H337 VanDerWaalsContact O-N 3.13Å
334	E	68.8	Low	64.1	Low	138 Å²	138	60.3 Å²	60.3	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-63.3	-41.3	179.7	-53.6	79.6	-175.9	0	0	111.7	P332 S338	P332-E334 WeakPolarHBondContact CB-OE2 3.33Å; P332-E334 PolarHBondContact O-N 2.97Å; P332-E334 VanDerWaalsContact O-N 3.16Å; E334-S338 WeakPolarHBondContact O-CB 3.38Å; E334-S338 PolarHBondContact O-N 3.35Å; E334-S338 VanDerWaalsContact O-N 3.08Å; E334-S338 PolarHBondContact O-OG 2.84Å
335	Q	68	Low	61.3	Low	64 Å²	64	64.6 Å²	64.6	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-76.6	-31.7	-179.6	-61.2	-166.7	-17.2	0	0	112.2	N284 I331 P332 F333 S338	N284-Q335 PolarHBondContact ND2-OE1 3.38Å; I331-Q335 HydrophobicContact CG2-CB 4.24Å; P332-Q335 HydrophobicContact CB-CG 4.37Å; P332-Q335 PolarHBondContact O-N 3.05Å; F333-Q335 PolarHBondContact O-N 3.13Å; Q335-S338 PolarHBondContact O-OG 3.22Å
336	F	70.4	Confident	58.4	Low	3 Å²	3	68.8 Å²	68.8	1%	0.013	37%	0.374	C	S	.	.	H	α-helix	trans	-65.2	-49.9	175.4	-166.2	-86.3	0	0	0	110.7	W253 V327 I331 P332 F333 H340	W253-F336 HydrophobicContact CB-CD1 3.75Å; W253-F336 HydrophobicContact CB-CD2 4.3Å; W253-F336 HydrophobicContact CB-CE1 3.98Å; W253-F336 HydrophobicContact CB-CG 3.94Å; W253-F336 HydrophobicContact CB-CZ 4.37Å; W253-F336 AromaticContact CD1-CD2 3.96Å; W253-F336 AromaticContact CD1-CG 3.71Å; W253-F336 HydrophobicContact CG-CB 4.38Å; W253-F336 HydrophobicContact CG-CD1 4.37Å; W253-F336 HydrophobicContact CG-CG 4.17Å; V327-F336 HydrophobicContact CG1-CD2 3.99Å; V327-F336 HydrophobicContact CG1-CE2 3.7Å; I331-F336 HydrophobicContact CB-CD2 4.22Å; I331-F336 HydrophobicContact CD1-CD2 4.08Å; I331-F336 HydrophobicContact CD1-CE2 4.46Å; I331-F336 HydrophobicContact CG2-CB 3.72Å; I331-F336 HydrophobicContact CG2-CD2 3.93Å; I331-F336 HydrophobicContact CG2-CG 4.35Å; P332-F336 PolarHBondContact O-N 3.26Å; F333-F336 PolarHBondContact O-N 2.77Å; F336-H340 AromaticContact CE1-CD2 3.55Å; F336-H340 AromaticContact CE1-NE2 3.62Å; F336-H340 AromaticContact CZ-NE2 3.7Å; F336-H340 PolarHBondContact O-N 2.65Å
337	H	62.1	Low	55.7	Low	62 Å²	62	77.6 Å²	77.6	29%	0.287	41%	0.407	S	S	.	.	H	α-helix	trans	-78.3	-31.9	-175.1	-75.6	-72.3	0	0	0	114	F333 N339 H340 Y341	F333-H337 AromaticContact CD2-CD2 3.7Å; F333-H337 AromaticContact CD2-NE2 3.93Å; F333-H337 AromaticContact CE1-CD2 3.99Å; F333-H337 AromaticContact CE2-CD2 3.37Å; F333-H337 WeakPolarHBondContact CE2-CD2 3.49Å; F333-H337 AromaticContact CE2-NE2 3.35Å; F333-H337 WeakPolarHBondContact CE2-NE2 3.35Å; F333-H337 AromaticContact CZ-CD2 3.52Å; F333-H337 AromaticContact CZ-NE2 3.79Å; F333-H337 PolarHBondContact O-CD2 3.49Å; F333-H337 PolarHBondContact O-N 2.87Å; F333-H337 VanDerWaalsContact O-N 3.13Å; H337-N339 PolarHBondContact O-N 3.4Å; H337-H340 PolarHBondContact O-N 3.1Å; H337-Y341 HydrophobicContact CB-CE2 4.36Å; H337-Y341 WeakPolarHBondContact O-CD2 3.49Å; H337-Y341 PolarHBondContact O-N 3.19Å; H337-Y341 VanDerWaalsContact O-N 3.16Å
338	S	54.5	Low	53	Low	56 Å²	56	85.5 Å²	85.5	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-56	-40.6	173.9	59.8	0	0	0	0	112.2	E334 Q335	E334-S338 WeakPolarHBondContact O-CB 3.38Å; E334-S338 PolarHBondContact O-N 3.35Å; E334-S338 VanDerWaalsContact O-N 3.08Å; E334-S338 PolarHBondContact O-OG 2.84Å; Q335-S338 PolarHBondContact O-OG 3.22Å
339	N	49.4	Very low	50.3	Low	23 Å²	23	89.9 Å²	89.9	12%	0.123	47%	0.471	C	S	.	.	H	α-helix	trans	-74.4	-28	-177.7	-71.6	4.9	0	0	0	112.8	D138 N139 L248 H337 N343	D138-N339 PolarHBondContact O-ND2 2.93Å; N139-N339 WeakPolarHBondContact OD1-CB 2.95Å; N139-N339 PolarHBondContact OD1-ND2 3.19Å; L248-N339 HydrophobicContact CD1-CB 4.06Å; L248-N339 WeakPolarHBondContact CD1-ND2 3.32Å; H337-N339 PolarHBondContact O-N 3.4Å; N339-N343 PolarHBondContact O-ND2 3.16Å
340	H	47.6	Very low	47.8	Very low	67 Å²	67	96.4 Å²	96.4	31%	0.31	50%	0.501	S	S	.	.	H	α-helix	trans	-73.8	-39	173.9	-94.5	-89.4	0	0	0	113.3	F336 H337 L342	F336-H340 AromaticContact CE1-CD2 3.55Å; F336-H340 AromaticContact CE1-NE2 3.62Å; F336-H340 AromaticContact CZ-NE2 3.7Å; F336-H340 PolarHBondContact O-N 2.65Å; H337-H340 PolarHBondContact O-N 3.1Å; H340-L342 VanDerWaalsContact C-N 3.31Å; H340-L342 PolarHBondContact O-N 3.37Å
341	Y	35.1	Very low	45.3	Very low	184 Å²	184	100.5 Å²	100.5	72%	0.722	53%	0.532	S	S	*	.	H	α-helix	trans	-70.1	-24.6	-178.8	-77.6	-67.1	0	0	0	114	H337 N343	H337-Y341 HydrophobicContact CB-CE2 4.36Å; H337-Y341 WeakPolarHBondContact O-CD2 3.49Å; H337-Y341 PolarHBondContact O-N 3.19Å; H337-Y341 VanDerWaalsContact O-N 3.16Å; Y341-N343 VanDerWaalsContact C-N 3.26Å; Y341-N343 PolarHBondContact O-N 2.99Å
342	L	34.9	Very low	42.8	Very low	128 Å²	128	107.7 Å²	107.7	67%	0.67	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-9.8	-178.9	-77	166.2	0	0	0	115.3	H340	H340-L342 VanDerWaalsContact C-N 3.31Å; H340-L342 PolarHBondContact O-N 3.37Å
343	N	31.2	Very low	40.5	Very low	135 Å²	135	110.7 Å²	110.7	72%	0.722	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	9.8	-176.9	-71.5	-81.4	0	0	0	114	N339 Y341	N339-N343 PolarHBondContact O-ND2 3.16Å; Y341-N343 VanDerWaalsContact C-N 3.26Å; Y341-N343 PolarHBondContact O-N 2.99Å
344	G	27.4	Very low	38.5	Very low	62 Å²	62	112.6 Å²	112.6	64%	0.639	60%	0.603	S	S	*	*			trans	-106.8	-6.3	-177.3	0	0	0	0	0	115.9	S346	G344-S346 PolarHBondContact O-N 3.06Å
345	S	25.1	Very low	36.5	Very low	112 Å²	112	112.8 Å²	112.8	78%	0.783	61%	0.609	S	S	*	*			trans	-91.7	73.3	-169.3	61.4	0	0	0	0	113.6
346	S	24.4	Very low	34.7	Very low	91 Å²	91	116.9 Å²	116.9	64%	0.636	63%	0.631	S	S	*	*	S	Bend	trans	-138.8	131.4	163.6	62.2	0	0	0	0	110.8	G344	G344-S346 PolarHBondContact O-N 3.06Å
347	Y	25	Very low	32.6	Very low	211 Å²	211	122.8 Å²	122.8	83%	0.827	66%	0.663	S	S	*	*	S	Bend	trans	64.5	63.1	172.4	-50.7	-75.8	0	0	0	118.1
348	I	25.5	Very low	31.1	Very low	168 Å²	168	127.5 Å²	127.5	86%	0.862	69%	0.685	S	S	*	*			trans	-129.3	98.9	135.6	-55.9	-178.6	0	0	0	107.3
349	N	25.5	Very low	29.8	Very low	147 Å²	147	131.1 Å²	131.1	79%	0.786	70%	0.698	S	S	*	*			trans	-76.6	138	169.6	-82.4	-11.4	0	0	0	109.3	S351	N349-S351 PolarHBondContact O-N 3.4Å
350	E	24.1	Very low	28.8	Very low	197 Å²	197	137.4 Å²	137.4	92%	0.921	73%	0.727	S	S	*	*			trans	-68.6	109	169.9	-62.9	-178.1	135.1	0	0	109.7
351	S	28	Very low	27.9	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	74%	0.744	S	S	*	*			trans	-112.3	93.3	171.3	62.2	0	0	0	0	110.4	N349	N349-S351 PolarHBondContact O-N 3.4Å
352	I	27.7	Very low	27.7	Very low	153 Å²	153	138.3 Å²	138.3	79%	0.785	75%	0.746	S	S	*	*			trans	-61.5	129.7	169.3	-62.6	165.3	0	0	0	108
353	P	25.9	Very low	27.5	Very low	108 Å²	108	137 Å²	137	70%	0.701	75%	0.745	S	S	*	*			trans	-73.4	136.7	175.9	30.7	-34.2	0	0	0	110.8
354	N	28.7	Very low	27.3	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	75%	0.747	S	S	*	*			trans	-176.5	107.3	149.5	-91.1	-16.3	0	0	0	110.1
355	D	26.6	Very low	27.4	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	76%	0.757	S	S	*	*			trans	55.4	145.5	132.9	-54.9	-11.3	0	0	0	124
356	I	28.6	Very low	27.6	Very low	151 Å²	151	145.3 Å²	145.3	77%	0.774	76%	0.76	S	S	*	*			trans	84.4	92.7	160.2	-57.4	143.8	0	0	0	118
357	D	26.9	Very low	27.7	Very low	127 Å²	127	149 Å²	149	68%	0.679	77%	0.769	S	S	*	*				24.7	117	127.2	-49.4	-47.5	0	0	0	120.4
358	H	31.3	Very low	27.7	Very low	160 Å²	160	146.2 Å²	146.2	74%	0.741	77%	0.769	S	S	*	*				171.5	117.9	96.1	-90.9	-62	0	0	0	115.5
359	I	27.5	Very low	27.9	Very low	132 Å²	132	143.7 Å²	143.7	68%	0.677	76%	0.761	S	S	*	*				57.8	115.5	124.7	-61.5	-178.2	0	0	0	121.6
360	H	28.7	Very low	27.8	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.718	76%	0.758	S	S	*	*			trans	76.7	125.9	144.7	-82.6	-42.5	0	0	0	124.8
361	N	28	Very low	27.8	Very low	125 Å²	125	141 Å²	141	67%	0.668	75%	0.752	S	S	*	*			trans	70.4	146.5	132.7	-57.6	-6.1	0	0	0	118.7
362	N	29.8	Very low	27.7	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	75%	0.746	S	S	*	*			cis	-143.5	169.8	14.9	-121.1	-0.6	0	0	0	111.4
363	P	31.3	Very low	27.5	Very low	100 Å²	100	141.3 Å²	141.3	65%	0.649	75%	0.745	S	S	*	*			trans	-90.4	-175.6	178.6	38.6	-36.3	0	0	0	114.2
364	D	28	Very low	27.5	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	75%	0.751	S	S	*	*			trans	68.3	108.8	165.7	-55.7	-24.5	0	0	0	119.2
365	Q	29.5	Very low	27.3	Very low	181 Å²	181	145.8 Å²	145.8	85%	0.846	75%	0.754	S	S	*	*				-176.8	158.9	109.7	-101.5	168.3	59.1	0	0	115.6
366	L	28.6	Very low	27.2	Very low	163 Å²	163	142.1 Å²	142.1	85%	0.853	75%	0.751	S	S	*	*			trans	78.6	118.1	160.5	-70.8	154.7	0	0	0	120.2
367	M	25.8	Very low	27.1	Very low	169 Å²	169	141 Å²	141	83%	0.833	75%	0.753	S	S	*	*			trans	-81.7	159.9	162.4	-61.6	-86.5	-167.2	0	0	110.5
368	D	26	Very low	27.2	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	76%	0.763	S	S	*	*				-175.6	160.4	105.8	-109.4	-24.2	0	0	0	114.9
369	T	28.5	Very low	27	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	76%	0.764	S	S	*	*			trans	61.2	115.2	176.1	60.4	0	0	0	0	116.9
370	T	24.9	Very low	26.9	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	77%	0.769	S	S	*	*				58.3	133.5	59.8	74	0	0	0	0	113.3
371	E	24.1	Very low	27	Very low	170 Å²	170	140.5 Å²	140.5	79%	0.794	77%	0.774	S	S	*	*			cis	-157.4	-174.4	-9.2	-119	-174.4	-91.3	0	0	106.9
372	I	25.9	Very low	26.9	Very low	128 Å²	128	141.2 Å²	141.2	66%	0.656	78%	0.778	S	S	*	*			cis	-140.5	157.5	20.2	-56.6	161.8	0	0	0	107.7	F374	I372-F374 HydrophobicContact CG2-CD2 3.88Å; I372-F374 HydrophobicContact CG2-CE2 3.86Å
373	N	22.4	Very low	26.7	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	78%	0.775	S	S	*	*			trans	-120.5	137.1	170.3	-132.1	-18.7	0	0	0	110.8
374	F	27	Very low	26.4	Very low	189 Å²	189	143 Å²	143	83%	0.829	78%	0.782	S	S	*	*			trans	-129.1	85.4	174.7	-94.7	-71.9	0	0	0	111.9	I372	I372-F374 HydrophobicContact CG2-CD2 3.88Å; I372-F374 HydrophobicContact CG2-CE2 3.86Å
375	N	23.7	Very low	26.4	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	79%	0.79	S	S	*	*			trans	-89.4	131	162	-80.3	-28.1	0	0	0	109.6
376	G	25.2	Very low	26.1	Very low	66 Å²	66	143.1 Å²	143.1	68%	0.68	79%	0.786	S	S	*	*			trans	-124.4	134.5	170.3	0	0	0	0	0	109.9
377	P	26.5	Very low	25.9	Very low	128 Å²	128	141.5 Å²	141.5	83%	0.831	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-82.5	144.1	-168	31.9	-35.5	0	0	0	113.5
378	F	28.4	Very low	26	Very low	199 Å²	199	140.1 Å²	140.1	87%	0.873	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-83.1	135.2	157.5	-81.7	-89.3	0	0	0	109.5
379	P	27.7	Very low	26	Very low	119 Å²	119	138.8 Å²	138.8	77%	0.773	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-80.8	135.2	171.9	31.9	-32.3	0	0	0	111
380	N	24.5	Very low	26	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.4	152.3	162.5	-67.7	-11.4	0	0	0	109.9
381	A	30.5	Very low	25.9	Very low	99 Å²	99	140.5 Å²	140.5	82%	0.818	77%	0.772	S	S	*	*			trans	-135	125.8	161.3	0	0	0	0	0	107.4
382	D	26.9	Very low	26.2	Very low	140 Å²	140	144 Å²	144	75%	0.749	78%	0.78	S	S	*	*			trans	-83.8	170.5	-163	-67.2	-73.2	0	0	0	115
383	N	25.2	Very low	26.1	Very low	134 Å²	134	145.2 Å²	145.2	72%	0.717	78%	0.783	S	S	*	*			trans	-34.3	140.3	170.8	-42.8	-71.9	0	0	0	115.2
384	D	25.8	Very low	26.3	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	79%	0.785	S	S	*	*				-178.3	114.5	103	-94.4	-18.3	0	0	0	112.3
385	L	27.8	Very low	26.3	Very low	174 Å²	174	144.4 Å²	144.4	91%	0.911	79%	0.785	S	S	*	*				-175.3	106.6	116.4	-120.5	92.1	0	0	0	110
386	L	23.2	Very low	26.3	Very low	149 Å²	149	141.4 Å²	141.4	78%	0.78	78%	0.776	S	S	*	*			trans	-86.3	141.4	164.4	-157.4	82.2	0	0	0	109
387	N	25.1	Very low	26.3	Very low	128 Å²	128	145.4 Å²	145.4	68%	0.684	78%	0.782	S	S	*	*				164.3	135.9	128.6	-84.4	-32.1	0	0	0	113.8
388	N	26.1	Very low	26.3	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	78%	0.78	S	S	*	*			trans	66	140.4	155.9	-52.8	-18.8	0	0	0	117.5
389	T	26.8	Very low	26.3	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	78%	0.775	S	S	*	*			cis	-167.5	156.2	-9.1	18.2	0	0	0	0	106.3
390	T	28.3	Very low	26.2	Very low	123 Å²	123	146 Å²	146	76%	0.755	78%	0.779	S	S	*	*			cis	-143.5	-168.1	9.4	-22.5	0	0	0	0	110
391	E	24.1	Very low	26.2	Very low	146 Å²	146	146.2 Å²	146.2	68%	0.682	78%	0.781	S	S	*	*			trans	-78.6	156.3	179.6	-56.9	150.7	105	0	0	114.7
392	Y	28.5	Very low	26.1	Very low	243 Å²	243	149.2 Å²	149.2	95%	0.953	78%	0.782	S	S	*	*				-144.1	90	124.9	-101.5	-71	0	0	0	109.5
393	H	25	Very low	26.1	Very low	155 Å²	155	149.4 Å²	149.4	72%	0.718	78%	0.783	S	S	*	*			trans	-75.2	144.1	167.3	-102.5	-80.8	0	0	0	110.5
394	L	26.5	Very low	26.1	Very low	155 Å²	155	150.5 Å²	150.5	81%	0.812	79%	0.788	S	S	*	*			trans	-170	145.3	131.1	-106.4	161.6	0	0	0	112.5
395	L	26.5	Very low	26.1	Very low	158 Å²	158	150.8 Å²	150.8	83%	0.827	79%	0.789	S	S	*	*			trans	62.7	69.5	166.7	-54.4	-179.6	0	0	0	117.7
396	S	23.7	Very low	26	Very low	93 Å²	93	146.9 Å²	146.9	65%	0.65	78%	0.776	S	S	*	*			trans	-82.1	167.1	139.4	70.1	0	0	0	0	110.4
397	N	24.9	Very low	26.2	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	76%	0.76	S	S	*	*			trans	73.7	115.8	173.5	-46.6	1.4	0	0	0	115.6
398	V	26.9	Very low	26.2	Very low	131 Å²	131	144.4 Å²	144.4	79%	0.794	77%	0.768	S	S	*	*				-167.5	127	121.4	142.4	0	0	0	0	108.2
399	N	27.7	Very low	26.1	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	77%	0.769	S	S	*	*			trans	62.8	102.1	160.7	-67.3	20.3	0	0	0	120.3
400	E	25.8	Very low	26	Very low	184 Å²	184	146.8 Å²	146.8	86%	0.86	77%	0.77	S	S	*	*				-61.1	-178.7	126.5	-62.5	-178.7	129.3	0	0	110.2
401	D	25.5	Very low	25.9	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	77%	0.767	S	S	*	*			trans	68.4	72.4	-172.2	-66.1	-28.1	0	0	0	116.2
402	L	28.6	Very low	26.1	Very low	162 Å²	162	148.4 Å²	148.4	85%	0.848	77%	0.772	S	S	*	*			trans	-150.2	71.8	141.9	-114.5	166.4	0	0	0	113.1
403	L	26.5	Very low	25.8	Very low	144 Å²	144	148 Å²	148	75%	0.754	77%	0.77	S	S	*	*			trans	40.2	110.3	136.4	-63.5	166.2	0	0	0	119.1	N405	L403-N405 PolarHBondContact O-N 3.23Å
404	L	25.8	Very low	25.8	Very low	157 Å²	157	150 Å²	150	82%	0.822	78%	0.777	S	S	*	*				12.3	101.1	120.3	-71.1	161.6	0	0	0	116
405	N	24.8	Very low	25.6	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	78%	0.778	S	S	*	*			trans	-175.2	133.4	132.7	-105.3	-56.6	0	0	0	115.2	L403	L403-N405 PolarHBondContact O-N 3.23Å
406	S	26	Very low	25.4	Very low	91 Å²	91	152.8 Å²	152.8	64%	0.636	78%	0.784	S	S	*	*			trans	66.1	145.7	162.3	89.3	0	0	0	0	117.2	M1	M1-S406 WeakPolarHBondContact CE-O 3.05Å
407	S	27.1	Very low	25.6	Very low	62 Å²	62	154.4 Å²	154.4	43%	0.434	79%	0.79	S	S	.	*			cis	-156.5	129.4	-11.8	34.4	0	0	0	0	110
408	L	24.4	Very low	25.7	Very low	163 Å²	163	154.5 Å²	154.5	85%	0.853	79%	0.79	S	S	*	*			trans	-56.7	142.2	160.7	-69.7	101.8	0	0	0	109.4
409	N	25.6	Very low	25.7	Very low	144 Å²	144	153 Å²	153	77%	0.77	78%	0.784	S	S	*	*			trans	-164.6	107.7	145.4	-103.2	-51.1	0	0	0	109.5
410	Q	24.8	Very low	25.7	Very low	170 Å²	170	157.3 Å²	157.3	79%	0.794	79%	0.791	S	S	*	*			trans	-63.5	146.2	162.6	-65.9	159.7	-30.2	0	0	108.7
411	I	26.4	Very low	25.7	Very low	135 Å²	135	156.7 Å²	156.7	69%	0.692	79%	0.788	S	S	*	*			trans	-115.2	116.4	160.8	-65.2	-177.6	0	0	0	106.6
412	H	26.9	Very low	25.8	Very low	168 Å²	168	156.4 Å²	156.4	78%	0.778	79%	0.787	S	S	*	*			trans	-60.7	145.4	178.4	-102	-97.1	0	0	0	111.7
413	Y	23	Very low	25.7	Very low	234 Å²	234	158.2 Å²	158.2	92%	0.918	79%	0.787	S	S	*	*			trans	-51.7	143	156.8	-77.8	-95.7	0	0	0	110.2
414	K	24.6	Very low	25.8	Very low	199 Å²	199	159.5 Å²	159.5	87%	0.865	80%	0.795	S	S	*	*			trans	-126.9	125.9	163.8	-164.6	179.2	-174.7	-175.6	0	108.3
415	E	21.6	Very low	26	Very low	179 Å²	179	161.4 Å²	161.4	84%	0.836	80%	0.797	S	S	*	*			trans	-62.3	137.7	179.6	-62	161.3	121.6	0	0	110.8
416	M	24.2	Very low	26.1	Very low	192 Å²	192	160.4 Å²	160.4	95%	0.946	79%	0.791	S	S	*	*			trans	-132.2	106.4	153.3	-82.2	-163.4	154.5	0	0	108.2
417	T	27.3	Very low	26.2	Very low	127 Å²	127	165.5 Å²	165.5	78%	0.779	80%	0.802	S	S	*	*			trans	-69.1	152.3	168.9	48.7	0	0	0	0	111.1
418	D	25.7	Very low	26.3	Very low	151 Å²	151	172.1 Å²	172.1	81%	0.807	82%	0.823	S	S	*	*			trans	-15.2	154.1	157.7	-77.3	-48.9	0	0	0	118.8
419	P	26.8	Very low	26.4	Very low	101 Å²	101	171.7 Å²	171.7	66%	0.656	82%	0.816	S	S	*	*			cis	-143.4	157.6	33.7	39.8	-21.7	0	0	0	118.2
420	Y	28.4	Very low	26.6	Very low	233 Å²	233	170 Å²	170	91%	0.914	81%	0.811	S	S	*	*			trans	-146.3	100	143.5	-97.8	-68.2	0	0	0	113.2
421	E	25.8	Very low	26.8	Very low	170 Å²	170	169.1 Å²	169.1	79%	0.794	81%	0.812	S	S	*	*			trans	-66.1	128.8	163.9	-62.4	176.8	95.7	0	0	110.6
422	N	26.9	Very low	27	Very low	147 Å²	147	169.4 Å²	169.4	79%	0.786	81%	0.814	S	S	*	*				158	92.9	129	-92.5	-76.4	0	0	0	113
423	K	28.2	Very low	27.1	Very low	199 Å²	199	165.7 Å²	165.7	87%	0.865	81%	0.807	S	S	*	*			trans	-164.5	43.1	143.9	-109.9	153.1	-170.2	173.3	0	114.7	K425	K423-K425 PolarHBondContact O-N 2.74Å
424	N	28.6	Very low	27.5	Very low	172 Å²	172	163.5 Å²	163.5	92%	0.92	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	69.2	168.3	-108.8	-28.4	0	0	0	111.4
425	K	29.6	Very low	27.7	Very low	196 Å²	196	160.6 Å²	160.6	85%	0.852	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.1	-1.2	179.7	-131.8	174.8	-174	176.9	0	116.5	K423	K423-K425 PolarHBondContact O-N 2.74Å
426	L	27.2	Very low	27.9	Very low	135 Å²	135	159.7 Å²	159.7	71%	0.707	80%	0.797	S	S	*	*	S	Bend	trans	-119.1	13	-178.7	-147.5	71.5	0	0	0	114.9
427	F	26.5	Very low	28.1	Very low	198 Å²	198	160.7 Å²	160.7	87%	0.868	80%	0.796	S	S	*	*	S	Bend	trans	-98.3	28.6	-179.4	-133.9	-89.6	0	0	0	113.8
428	K	29.1	Very low	28.1	Very low	201 Å²	201	164.3 Å²	164.3	87%	0.874	80%	0.801	S	S	*	*	S	Bend	trans	-143	15.9	-172.5	-122.4	178.5	-174.5	179.6	0	116.3
429	Q	28.5	Very low	28.2	Very low	154 Å²	154	165.8 Å²	165.8	72%	0.72	80%	0.803	S	S	*	*	S	Bend	trans	-127.3	-22.7	179.8	-76	-179.7	-35.8	0	0	114.8	L431	Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 2.74Å
430	T	28.9	Very low	28.1	Very low	109 Å²	109	170.9 Å²	170.9	67%	0.669	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	0.3	-179.5	32.5	0	0	0	0	115.3	S433	T430-S433 PolarHBondContact O-OG 2.84Å
431	L	29.6	Very low	28	Very low	152 Å²	152	167.7 Å²	167.7	80%	0.796	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-9.2	177.5	-137.5	76.8	0	0	0	114.2	Q429	Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 2.74Å
432	N	29.7	Very low	28	Very low	140 Å²	140	168.6 Å²	168.6	75%	0.749	82%	0.818	S	S	*	*	S	Bend	trans	-94.6	-8.8	-174.7	-79.5	-6	0	0	0	114.8
433	S	29.7	Very low	28	Very low	90 Å²	90	169.3 Å²	169.3	63%	0.629	82%	0.822	S	S	*	*	G	3₁₀ helix	trans	-81.5	-14.6	-180	46.2	0	0	0	0	114.2	T430 N435	T430-S433 PolarHBondContact O-OG 2.84Å; S433-N435 VanDerWaalsContact C-N 3.31Å; S433-N435 PolarHBondContact O-N 2.84Å
434	F	30.1	Very low	28.2	Very low	188 Å²	188	169.2 Å²	169.2	83%	0.825	83%	0.825	S	S	*	*	G	3₁₀ helix	trans	-79.2	-2.2	-172.8	-112.9	-86.1	0	0	0	115.8
435	N	29.9	Very low	28	Very low	138 Å²	138	168.7 Å²	168.7	74%	0.738	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-105.8	-0.5	-170.8	-83.5	-29.5	0	0	0	115.9	S433	S433-N435 VanDerWaalsContact C-N 3.31Å; S433-N435 PolarHBondContact O-N 2.84Å
436	L	26.2	Very low	27.8	Very low	161 Å²	161	164.4 Å²	164.4	84%	0.843	82%	0.815	S	S	*	*	S	Bend	trans	-91.8	-2.9	-170.6	-127.7	74.6	0	0	0	116.3
437	F	27.7	Very low	28	Very low	212 Å²	212	165.5 Å²	165.5	93%	0.93	82%	0.82	S	S	*	*	S	Bend	trans	-109	29.4	-171.7	-112.2	-78.4	0	0	0	114.8
438	K	28.2	Very low	28	Very low	204 Å²	204	164.5 Å²	164.5	89%	0.887	82%	0.815	S	S	*	*	S	Bend	trans	-136.8	25.1	-170.5	-135.6	179.3	-172	-179.6	0	116
439	Q	26.4	Very low	27.9	Very low	181 Å²	181	161.4 Å²	161.4	85%	0.846	81%	0.808	S	S	*	*			trans	-132.6	25.4	-170.6	-148.5	170.4	8.6	0	0	115.6
440	F	25.8	Very low	27.9	Very low	208 Å²	208	159.6 Å²	159.6	91%	0.912	80%	0.804	S	S	*	*	S	Bend	trans	-133.1	73.2	169.9	-90.4	-85.7	0	0	0	110.7
441	D	26.7	Very low	27.9	Very low	167 Å²	167	162.2 Å²	162.2	89%	0.893	81%	0.808	S	S	*	*	S	Bend	trans	-176.5	58.4	148.7	-104	-16.6	0	0	0	112
442	Q	24.9	Very low	27.6	Very low	188 Å²	188	165.9 Å²	165.9	88%	0.879	81%	0.813	S	S	*	*			trans	-146.4	89.1	166.7	-76.1	-166.3	-17.7	0	0	110.4
443	N	27.5	Very low	27.7	Very low	163 Å²	163	164 Å²	164	87%	0.872	81%	0.808	S	S	*	*			trans	-175.8	74.9	152.7	-98.7	-29.1	0	0	0	113.5
444	Q	30.9	Very low	27.4	Very low	197 Å²	197	167 Å²	167	92%	0.921	82%	0.817	S	S	*	*			trans	-164.3	118.7	138.2	-112	160.1	80.6	0	0	110.5
445	I	25.8	Very low	27.1	Very low	161 Å²	161	168.2 Å²	168.2	83%	0.826	82%	0.816	S	S	*	*			trans	-117.4	141.6	178.5	-70.1	173.8	0	0	0	107.6
446	S	25.2	Very low	26.9	Very low	105 Å²	105	168.1 Å²	168.1	73%	0.734	82%	0.815	S	S	*	*			trans	68.3	149.8	-172.3	80.6	0	0	0	0	113
447	I	30.3	Very low	26.9	Very low	159 Å²	159	165.2 Å²	165.2	82%	0.815	81%	0.809	S	S	*	*			cis	-124.4	135	24.1	-66.1	165.8	0	0	0	113.5
448	K	26.5	Very low	26.7	Very low	176 Å²	176	162.8 Å²	162.8	77%	0.765	81%	0.805	S	S	*	*			trans	-22.1	148.4	159.1	-82.7	179	175.2	179.5	0	119.9
449	N	26.6	Very low	26.6	Very low	136 Å²	136	161.5 Å²	161.5	73%	0.727	81%	0.807	S	S	*	*			trans	101	130.7	133.9	-77.5	16.8	0	0	0	121.8
450	N	28.8	Very low	26.5	Very low	116 Å²	116	161.1 Å²	161.1	62%	0.62	81%	0.805	S	S	*	*			trans	82	109.1	147.7	-68.4	40.5	0	0	0	122.7
451	E	29.8	Very low	26.6	Very low	165 Å²	165	159.7 Å²	159.7	77%	0.771	81%	0.806	S	S	*	*				80.7	108	121.7	-66.6	165.9	152	0	0	122.4
452	Y	23.9	Very low	26.5	Very low	228 Å²	228	158 Å²	158	89%	0.894	80%	0.797	S	S	*	*			trans	-26.8	169.7	147.8	-62.4	-81	0	0	0	118.7
453	P	30.7	Very low	26.4	Very low	100 Å²	100	156 Å²	156	65%	0.649	79%	0.792	S	S	*	*			cis	-146.7	-167.4	-37.3	41.9	-23.7	0	0	0	114.9
454	L	24	Very low	26.3	Very low	154 Å²	154	155.5 Å²	155.5	81%	0.806	79%	0.788	S	S	*	*			trans	82.4	132	150.9	-74.5	168.2	0	0	0	122.2
455	R	23.8	Very low	26.1	Very low	214 Å²	214	151.4 Å²	151.4	81%	0.808	78%	0.776	S	S	*	*			trans	75.7	113	146.4	-86	-173.6	166.4	-171.9	-3.5	122.4
456	N	24.7	Very low	26	Very low	136 Å²	136	152.4 Å²	152.4	73%	0.727	78%	0.775	S	S	*	*				83.1	150.8	127.8	-74.4	17.3	0	0	0	122.3
457	S	26	Very low	26.1	Very low	100 Å²	100	154 Å²	154	70%	0.699	78%	0.775	S	S	*	*			trans	67.8	106.5	158.7	40	0	0	0	0	119.7
458	N	23.7	Very low	25.8	Very low	160 Å²	160	153.5 Å²	153.5	86%	0.856	77%	0.774	S	S	*	*				46.7	93.5	126.8	-55.4	0.4	0	0	0	118.2
459	L	27.4	Very low	25.9	Very low	177 Å²	177	151.6 Å²	151.6	93%	0.927	77%	0.772	S	S	*	*			trans	-125.8	127.8	147.6	-86.2	169.2	0	0	0	109.8
460	Q	23.6	Very low	26	Very low	173 Å²	173	152.7 Å²	152.7	81%	0.808	78%	0.777	S	S	*	*			trans	-73	148.4	168.2	-60.5	168.1	-70.2	0	0	109.2
461	L	27.6	Very low	25.9	Very low	178 Å²	178	154 Å²	154	93%	0.932	78%	0.78	S	S	*	*			trans	-140.7	136.9	155.2	-111.1	158.3	0	0	0	108.9
462	N	25.8	Very low	25.8	Very low	132 Å²	132	152.1 Å²	152.1	71%	0.706	78%	0.775	S	S	*	*			trans	-92.3	166.9	-157.4	-79.3	-55.7	0	0	0	114.2
463	L	22.8	Very low	26	Very low	145 Å²	145	149.1 Å²	149.1	76%	0.759	77%	0.774	S	S	*	*			trans	-49.5	141.8	172.2	-71.9	61.2	0	0	0	112.3	T465	L463-T465 HydrophobicContact CD2-CG2 4.41Å
464	I	25.5	Very low	25.9	Very low	154 Å²	154	151.3 Å²	151.3	79%	0.79	78%	0.779	S	S	*	*			trans	-124.2	114.3	138.8	-62.4	-178	0	0	0	107.1	F466	I464-F466 HydrophobicContact CG2-CD2 4.41Å; I464-F466 HydrophobicContact CG2-CE2 4.48Å
465	T	24.8	Very low	26.2	Very low	110 Å²	110	152.1 Å²	152.1	68%	0.675	78%	0.783	S	S	*	*			trans	-79	125.5	175.5	43.7	0	0	0	0	110.8	L463	L463-T465 HydrophobicContact CD2-CG2 4.41Å
466	F	25.3	Very low	26.3	Very low	183 Å²	183	148.3 Å²	148.3	80%	0.803	78%	0.779	S	S	*	*			trans	-103.1	93.8	166	-104.4	-87.4	0	0	0	110.4	I464	I464-F466 HydrophobicContact CG2-CD2 4.41Å; I464-F466 HydrophobicContact CG2-CE2 4.48Å
467	N	25.7	Very low	26.6	Very low	138 Å²	138	149.9 Å²	149.9	74%	0.738	79%	0.787	S	S	*	*			trans	-105.4	145.2	160.3	-87.5	-24.3	0	0	0	108.3
468	N	25.1	Very low	26.7	Very low	149 Å²	149	152.4 Å²	152.4	80%	0.797	79%	0.793	S	S	*	*			trans	65.4	114	175.8	-53.5	-23.1	0	0	0	116.8
469	L	27.7	Very low	27	Very low	136 Å²	136	153.9 Å²	153.9	71%	0.712	80%	0.797	S	S	*	*			trans	-167	160.2	135	-104.4	166.7	0	0	0	108.9	E471	L469-E471 HydrophobicContact CD2-CB 4.5Å; L469-E471 HydrophobicContact CD2-CG 4.17Å
470	N	28.5	Very low	27	Very low	159 Å²	159	148.6 Å²	148.6	85%	0.85	79%	0.786	S	S	*	*			trans	71.3	81.8	-156.4	-53.9	-14.1	0	0	0	111.7
471	E	28.3	Very low	27.5	Very low	144 Å²	144	146 Å²	146	67%	0.673	79%	0.786	S	S	*	*			cis	61.5	124.9	29.7	-83.5	-131	124	0	0	116.5	L469	L469-E471 HydrophobicContact CD2-CB 4.5Å; L469-E471 HydrophobicContact CD2-CG 4.17Å
472	N	27	Very low	27.6	Very low	124 Å²	124	143.9 Å²	143.9	66%	0.663	78%	0.776	S	S	*	*			trans	60.9	96.7	146.3	-60.8	-36.1	0	0	0	120.6
473	L	29.1	Very low	28	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	78%	0.775	S	S	*	*			trans	-154.9	89.4	133.7	-111.8	160.8	0	0	0	112.4
474	L	26.9	Very low	28.7	Very low	145 Å²	145	142.7 Å²	142.7	76%	0.759	77%	0.771	S	S	*	*			trans	25	124.9	146	-65.2	160.8	0	0	0	119.8
475	L	30.1	Very low	29.2	Very low	172 Å²	172	139.6 Å²	139.6	90%	0.901	76%	0.762	S	S	*	*				-167.5	145.3	104	-101.6	162.7	0	0	0	112.1
476	N	26.1	Very low	29.8	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	77%	0.765	S	S	*	*			trans	-75.4	150.1	-178.9	-68.2	-39.2	0	0	0	112.3
477	N	32.3	Very low	30.4	Very low	170 Å²	170	138.1 Å²	138.1	91%	0.909	76%	0.759	S	S	*	*				-150.8	132	129.7	-96.8	-40.4	0	0	0	110.1
478	N	27.2	Very low	30.9	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	76%	0.76	S	S	*	*			trans	-96.6	-178.4	-178.5	-107.2	-29.4	0	0	0	110.8
479	M	29.8	Very low	31.3	Very low	190 Å²	190	139.3 Å²	139.3	94%	0.936	77%	0.765	S	S	*	*			trans	80.9	125.8	-179	-46.2	-76.3	-90.9	0	0	113.3
480	G	28.2	Very low	31.7	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	77%	0.772	S	S	*	*			cis	166.6	169.3	-5.7	0	0	0	0	0	111.7
481	S	32.7	Very low	32	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	77%	0.77	S	S	*	*			trans	71.4	145.6	-179.4	-168	0	0	0	0	115.6
482	N	29.8	Very low	32.4	Very low	133 Å²	133	134.9 Å²	134.9	71%	0.711	77%	0.774	S	S	*	*			cis	173.8	161.2	-40.2	-103.6	13.9	0	0	0	106.6
483	N	35.6	Very low	32.9	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	78%	0.775	S	S	*	*			trans	66.1	146.9	167.3	-68.5	45.5	0	0	0	116.4
484	D	36.6	Very low	33.2	Very low	124 Å²	124	133.2 Å²	133.2	66%	0.663	77%	0.766	S	S	*	*			cis	-149.2	126	-14.5	-91	-34.7	0	0	0	106.6
485	S	36.3	Very low	33.7	Very low	88 Å²	88	132.3 Å²	132.3	62%	0.615	76%	0.762	S	S	*	*				86.7	139	83.2	98.1	0	0	0	0	115.2
486	N	37.5	Very low	34	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	75%	0.753	S	S	*	*			trans	69.5	153	160.6	-66.7	-58.8	0	0	0	120.3
487	N	36.8	Very low	34.6	Very low	124 Å²	124	129 Å²	129	66%	0.663	75%	0.753	S	S	*	*			cis	-166.5	169.5	-40	-133.9	-35	0	0	0	112.6
488	N	37.4	Very low	34.8	Very low	144 Å²	144	127.7 Å²	127.7	77%	0.77	75%	0.746	S	S	*	*			trans	94.5	141.2	157.1	-61.4	-31	0	0	0	121.3
489	N	33.6	Very low	35.4	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	74%	0.743	S	S	*	*			trans	-104.5	159.4	-176.9	-61.3	-69.1	0	0	0	112
490	G	35.7	Very low	35.7	Very low	83 Å²	83	125.7 Å²	125.7	86%	0.856	73%	0.731	S	S	*	*			trans	-146.7	128.6	162.6	0	0	0	0	0	109.7
491	S	34.6	Very low	36.1	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	74%	0.74	S	S	*	*			trans	-139.9	-172.9	-170.5	-172.7	0	0	0	0	111
492	I	38.1	Very low	36.3	Very low	148 Å²	148	128.1 Å²	128.1	76%	0.759	73%	0.733	S	S	*	*			trans	94.4	87.2	165.8	-51.8	175.4	0	0	0	116.5
493	N	36	Very low	36.5	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	73%	0.731	S	S	*	*				53.8	125.4	113.4	-77.6	2.3	0	0	0	123.4
494	N	35.8	Very low	36.7	Very low	125 Å²	125	127.1 Å²	127.1	67%	0.668	74%	0.735	S	S	*	*				90.7	130.8	118.5	-71.7	-0.3	0	0	0	124.1
495	N	37.8	Very low	36.8	Very low	127 Å²	127	127 Å²	127	68%	0.679	73%	0.734	S	S	*	*			trans	88.9	113.2	133.3	-69.3	-1.5	0	0	0	122.7
496	N	37.2	Very low	36.9	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	74%	0.738	S	S	*	*				82.1	109	124.5	-64.9	-10.2	0	0	0	122.4
497	S	38.4	Very low	37	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	74%	0.735	S	S	*	*				100.6	120.8	114.9	75	0	0	0	0	122
498	N	36.8	Very low	37.1	Very low	141 Å²	141	128.4 Å²	128.4	75%	0.754	73%	0.732	S	S	*	*			trans	72	117.6	132.7	-75.4	-28	0	0	0	123.4
499	K	38.9	Very low	37.2	Very low	173 Å²	173	128.1 Å²	128.1	75%	0.752	73%	0.731	S	S	*	*				99.9	135.4	123	-81.1	-178.7	178.3	-178.9	0	122.3
500	N	36.7	Very low	37.5	Very low	128 Å²	128	124.3 Å²	124.3	68%	0.684	72%	0.717	S	S	*	*			trans	85	91.3	143	-65.9	7	0	0	0	122.4
501	I	34.9	Very low	37.8	Very low	171 Å²	171	127.4 Å²	127.4	88%	0.877	71%	0.714	S	S	*	*				52.7	124.2	111.4	-60.4	166.2	0	0	0	120.6
502	G	36.8	Very low	38.1	Very low	66 Å²	66	125.8 Å²	125.8	68%	0.68	70%	0.703	S	S	*	*			trans	132	149.4	147.7	0	0	0	0	0	114
503	S	35.2	Very low	38.2	Very low	97 Å²	97	124.5 Å²	124.5	68%	0.678	70%	0.698	S	S	*	*			cis	176	155.4	-23.3	41.5	0	0	0	0	108.2
504	N	38.9	Very low	38.4	Very low	143 Å²	143	126.1 Å²	126.1	77%	0.765	70%	0.699	S	S	*	*			trans	78.9	152.8	170.3	-43.2	-33	0	0	0	115.1
505	N	38.8	Very low	38.6	Very low	121 Å²	121	129 Å²	129	65%	0.647	71%	0.705	S	S	*	*			cis	-163.6	150.9	0.5	-130.2	-3.7	0	0	0	113.4
506	M	39.5	Very low	38.5	Very low	140 Å²	140	131.2 Å²	131.2	69%	0.69	72%	0.715	S	S	*	*			trans	60.8	156.8	151.9	-53.6	-70.8	166	0	0	118.3
507	N	38.7	Very low	38.5	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	71%	0.711	S	S	*	*			cis	-169.7	179.2	-15.4	-103.7	3.9	0	0	0	107.5
508	N	38.8	Very low	38.6	Very low	115 Å²	115	127.9 Å²	127.9	62%	0.615	71%	0.712	S	S	*	*			cis	-161.6	170.4	3.6	-132.6	5.2	0	0	0	111.2
509	N	39.2	Very low	38.6	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	71%	0.711	S	S	*	*			trans	63.2	150.8	150.1	-65.7	2.3	0	0	0	120.8
510	S	41.2	Very low	38.5	Very low	88 Å²	88	127 Å²	127	62%	0.615	72%	0.715	S	S	*	*			cis	-168.1	157	-17.8	51	0	0	0	0	112.7
511	D	41.1	Very low	38.4	Very low	148 Å²	148	124.1 Å²	124.1	79%	0.791	72%	0.716	S	S	*	*			trans	67.5	150	154.1	-60.9	-40	0	0	0	123
512	S	40.7	Very low	38.4	Very low	82 Å²	82	122.9 Å²	122.9	57%	0.573	71%	0.711	S	S	*	*			cis	-170.9	160	-26.5	68.5	0	0	0	0	113.8
513	N	40.4	Very low	38.2	Very low	121 Å²	121	126.3 Å²	126.3	65%	0.647	71%	0.714	S	S	*	*			trans	67.8	153	150.5	-66.4	-57.4	0	0	0	119.9
514	K	40.7	Very low	38.1	Very low	163 Å²	163	127 Å²	127	71%	0.709	72%	0.718	S	S	*	*			cis	-166.8	152.7	-10.6	-119.5	166	-175	131	0	114.4
515	K	39	Very low	37.6	Very low	184 Å²	184	128.2 Å²	128.2	80%	0.8	73%	0.725	S	S	*	*			trans	72.3	140.6	157	-65	176.7	175.9	-175	0	119.5
516	I	36.1	Very low	37.3	Very low	174 Å²	174	130.3 Å²	130.3	89%	0.892	74%	0.736	S	S	*	*			cis	123.7	123.8	-4.7	-69.3	164.5	0	0	0	114.3
517	G	38.3	Very low	36.9	Very low	60 Å²	60	129.4 Å²	129.4	62%	0.619	74%	0.744	S	S	*	*			trans	141	105.5	165.2	0	0	0	0	0	112.7
518	S	39.2	Very low	36.5	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	74%	0.742	S	S	*	*				73.3	125.6	74.7	68.2	0	0	0	0	113.9
519	N	37.3	Very low	36.1	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	75%	0.75	S	S	*	*			cis	-157	160.2	8.5	-89.3	-18.8	0	0	0	112
520	N	36.6	Very low	35.6	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	76%	0.757	S	S	*	*			trans	36.4	138.1	146.6	-50.1	-7.8	0	0	0	121.5
521	G	34.2	Very low	35	Very low	68 Å²	68	131.3 Å²	131.3	70%	0.701	76%	0.76	S	S	*	*			cis	172	-166.6	1.7	0	0	0	0	0	113.9
522	N	35	Very low	34.5	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	77%	0.765	S	S	*	*			trans	78.9	96.3	173.2	-67.3	41.6	0	0	0	119.7
523	D	32.9	Very low	33.7	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	78%	0.778	S	S	*	*				87.6	147	124	-54.4	-30.3	0	0	0	122.8
524	S	33.9	Very low	33	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.782	S	S	*	*			trans	69.8	70.7	174.5	61.3	0	0	0	0	118.9
525	N	28.4	Very low	32.2	Very low	169 Å²	169	132.7 Å²	132.7	90%	0.904	79%	0.786	S	S	*	*			trans	43.6	91.9	133.7	-59.6	-11.7	0	0	0	118.5
526	N	31.5	Very low	31.5	Very low	165 Å²	165	132.9 Å²	132.9	88%	0.882	78%	0.783	S	S	*	*			trans	-137.7	116.5	160.4	-141.6	-16.7	0	0	0	110	G528	N526-G528 PolarHBondContact O-N 2.93Å
527	S	32.5	Very low	31	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	78%	0.779	S	S	*	*			trans	-93.1	93.9	-171.9	56.5	0	0	0	0	111.7
528	G	29.9	Very low	30.3	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	79%	0.791	S	S	*	*			trans	-75	126.1	180	0	0	0	0	0	114.4	N526	N526-G528 PolarHBondContact O-N 2.93Å
529	I	30.3	Very low	29.5	Very low	151 Å²	151	138 Å²	138	77%	0.774	79%	0.785	S	S	*	*				45.2	119.5	120.4	-57	161.3	0	0	0	117.2
530	N	28.7	Very low	29.1	Very low	166 Å²	166	138.2 Å²	138.2	89%	0.888	78%	0.782	S	S	*	*			trans	-148.2	148.9	136.8	-133.5	-28	0	0	0	111.4
531	N	28	Very low	28.5	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	78%	0.779	S	S	*	*			trans	-89.5	145.7	-161.7	-61.5	-39.5	0	0	0	114
532	N	30.2	Very low	28.2	Very low	165 Å²	165	139 Å²	139	88%	0.882	77%	0.77	S	S	*	*			trans	-157.1	147.6	144.6	-106.7	-38.8	0	0	0	111.5
533	N	24.6	Very low	28	Very low	161 Å²	161	134.8 Å²	134.8	86%	0.861	75%	0.75	S	S	*	*			trans	-90.5	121.3	-165.2	-63.1	-39.3	0	0	0	113.5
534	S	26.5	Very low	27.8	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	74%	0.743	S	S	*	*			trans	-159.4	79.9	154.2	59.6	0	0	0	0	111.4	Y536	S534-Y536 PolarHBondContact O-N 2.87Å
535	S	23.1	Very low	27.7	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	73%	0.734	S	S	*	*			trans	-78.5	54.5	177.5	61.4	0	0	0	0	112.8
536	Y	23.9	Very low	27.8	Very low	188 Å²	188	133 Å²	133	74%	0.737	72%	0.717	S	S	*	*			trans	-145.8	158	175.9	-80.7	-84.9	0	0	0	109.8	S534	S534-Y536 PolarHBondContact O-N 2.87Å
537	F	25.4	Very low	28	Very low	185 Å²	185	130.5 Å²	130.5	81%	0.811	70%	0.701	S	S	*	*			trans	77.9	44.7	170.2	-50.6	-72.4	0	0	0	120.1
538	I	24.8	Very low	28	Very low	169 Å²	169	130.5 Å²	130.5	87%	0.867	69%	0.687	S	S	*	*			trans	-132.9	53.5	153.2	-41.5	179	0	0	0	111.7
539	C	22.5	Very low	28.2	Very low	93 Å²	93	132.5 Å²	132.5	63%	0.628	68%	0.682	S	S	*	*			trans	-135.7	23.8	-177.7	-62.4	0	0	0	0	114.7
540	H	27.6	Very low	28.4	Very low	144 Å²	144	127.2 Å²	127.2	67%	0.667	66%	0.655	S	S	*	*	S	Bend	trans	-128.7	5.1	-169	-80.9	9.8	0	0	0	116.5
541	E	24.9	Very low	28.8	Very low	165 Å²	165	124.4 Å²	124.4	77%	0.771	64%	0.64	S	S	*	*	S	Bend	trans	-107.5	-37	176.1	-62.9	-165.5	125.1	0	0	112.9	T543 K544 H545	E541-T543 VanDerWaalsContact C-N 3.31Å; E541-T543 PolarHBondContact O-N 2.81Å; E541-K544 PolarHBondContact O-N 3.24Å; E541-H545 PolarHBondContact O-N 3.2Å
542	S	26.7	Very low	29.1	Very low	75 Å²	75	124.4 Å²	124.4	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-57.8	-40.8	173.6	44.4	0	0	0	0	112.6	K544 H545 Q546	S542-K544 PolarHBondContact O-N 3.5Å; S542-H545 PolarHBondContact O-N 2.7Å; S542-Q546 WeakPolarHBondContact O-CG 3.33Å; S542-Q546 PolarHBondContact O-N 2.99Å
543	T	31.1	Very low	29.5	Very low	57 Å²	57	118.6 Å²	118.6	35%	0.35	61%	0.609	S	S	.	*	H	α-helix	trans	-63.2	-36.6	176.9	47.4	0	0	0	0	112.9	E541 Q547	E541-T543 VanDerWaalsContact C-N 3.31Å; E541-T543 PolarHBondContact O-N 2.81Å; T543-Q547 WeakPolarHBondContact O-CB 3.38Å; T543-Q547 VanDerWaalsContact O-CG 3.22Å; T543-Q547 WeakPolarHBondContact O-CG 3.48Å; T543-Q547 PolarHBondContact O-N 2.85Å
544	K	30.2	Very low	30.5	Very low	134 Å²	134	113.7 Å²	113.7	58%	0.583	58%	0.581	S	S	*	*	H	α-helix	trans	-67.1	-40.8	175.1	-70.8	179.3	-179.6	172.2	0	111.9	E541 S542 Q547 Q548	E541-K544 PolarHBondContact O-N 3.24Å; S542-K544 PolarHBondContact O-N 3.5Å; K544-Q547 PolarHBondContact O-N 2.88Å; K544-Q548 PolarHBondContact O-N 2.99Å
545	H	30	Very low	31.3	Very low	127 Å²	127	115.3 Å²	115.3	59%	0.588	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-37.4	179.7	-134.1	-36.8	0	0	0	111.7	E541 S542 Q548 L549	E541-H545 PolarHBondContact O-N 3.2Å; S542-H545 PolarHBondContact O-N 2.7Å; H545-Q548 PolarHBondContact O-N 2.85Å; H545-L549 WeakPolarHBondContact O-CG 3.29Å; H545-L549 PolarHBondContact O-N 3.5Å
546	Q	32	Very low	32.9	Very low	118 Å²	118	114.8 Å²	114.8	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-62.2	-47.1	169	-73.4	173	-27.3	0	0	111.6	S542 Q548 L549 I550	S542-Q546 WeakPolarHBondContact O-CG 3.33Å; S542-Q546 PolarHBondContact O-N 2.99Å; Q546-Q548 VanDerWaalsContact C-N 3.28Å; Q546-Q548 PolarHBondContact O-N 2.61Å; Q546-L549 PolarHBondContact O-N 3.23Å; Q546-I550 WeakPolarHBondContact O-CB 3.44Å; Q546-I550 VanDerWaalsContact O-CG1 3.26Å; Q546-I550 WeakPolarHBondContact O-CG1 3.36Å; Q546-I550 PolarHBondContact O-N 3.17Å
547	Q	35.7	Very low	34.9	Very low	114 Å²	114	108.4 Å²	108.4	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-59.5	-34.3	176.9	-78	170.9	-6.4	0	0	113.2	T543 K544 N551	T543-Q547 WeakPolarHBondContact O-CB 3.38Å; T543-Q547 VanDerWaalsContact O-CG 3.22Å; T543-Q547 WeakPolarHBondContact O-CG 3.48Å; T543-Q547 PolarHBondContact O-N 2.85Å; K544-Q547 PolarHBondContact O-N 2.88Å; Q547-N551 WeakPolarHBondContact O-CB 3.49Å; Q547-N551 VanDerWaalsContact O-CG 3.23Å; Q547-N551 PolarHBondContact O-N 2.59Å; Q547-N551 PolarHBondContact O-ND2 2.8Å
548	Q	31.9	Very low	37	Very low	120 Å²	120	100.8 Å²	100.8	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-69.7	-42.2	173.9	-75.6	-175.9	-14.3	0	0	112.9	K544 H545 Q546 I550 N551 Q552	K544-Q548 PolarHBondContact O-N 2.99Å; H545-Q548 PolarHBondContact O-N 2.85Å; Q546-Q548 VanDerWaalsContact C-N 3.28Å; Q546-Q548 PolarHBondContact O-N 2.61Å; Q548-I550 VanDerWaalsContact C-N 3.32Å; Q548-N551 PolarHBondContact O-N 3.11Å; Q548-Q552 WeakPolarHBondContact O-CG 3.49Å; Q548-Q552 PolarHBondContact O-N 3.43Å; Q548-Q552 VanDerWaalsContact O-N 3.08Å
549	L	33.9	Very low	39.2	Very low	105 Å²	105	98.3 Å²	98.3	55%	0.55	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-37	174.6	-69.4	167.3	0	0	0	111.8	H545 Q546 Q552 S553	H545-L549 WeakPolarHBondContact O-CG 3.29Å; H545-L549 PolarHBondContact O-N 3.5Å; Q546-L549 PolarHBondContact O-N 3.23Å; L549-Q552 PolarHBondContact O-N 2.88Å; L549-S553 PolarHBondContact O-N 3.09Å
550	I	34.7	Very low	41.7	Very low	41 Å²	41	97.5 Å²	97.5	21%	0.21	48%	0.484	C	S	.	.	H	α-helix	trans	-62.5	-46.6	172.2	-76.9	166.9	0	0	0	111.2	Q546 Q548 Q552 S553 M554 Y615	Q546-I550 WeakPolarHBondContact O-CB 3.44Å; Q546-I550 VanDerWaalsContact O-CG1 3.26Å; Q546-I550 WeakPolarHBondContact O-CG1 3.36Å; Q546-I550 PolarHBondContact O-N 3.17Å; Q548-I550 VanDerWaalsContact C-N 3.32Å; I550-Q552 PolarHBondContact O-N 3.28Å; I550-S553 PolarHBondContact O-N 3.17Å; I550-S553 VanDerWaalsContact O-N 3.13Å; I550-S553 PolarHBondContact O-OG 3.32Å; I550-M554 HydrophobicContact CG2-CG 4.29Å; I550-M554 WeakPolarHBondContact O-CB 3.37Å; I550-M554 WeakPolarHBondContact O-CG 3.19Å; I550-M554 PolarHBondContact O-N 2.89Å; I550-Y615 HydrophobicContact CB-CE2 4.37Å; I550-Y615 HydrophobicContact CD1-CE2 4.23Å; I550-Y615 HydrophobicContact CG1-CE2 4.04Å; I550-Y615 HydrophobicContact CG2-CE2 3.53Å; I550-Y615 WeakPolarHBondContact CG2-OH 3.49Å
551	N	36	Very low	43.2	Very low	107 Å²	107	97.2 Å²	97.2	57%	0.572	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-25.7	176.9	-74.1	-17.9	0	0	0	112.5	Q547 Q548	Q547-N551 WeakPolarHBondContact O-CB 3.49Å; Q547-N551 VanDerWaalsContact O-CG 3.23Å; Q547-N551 PolarHBondContact O-N 2.59Å; Q547-N551 PolarHBondContact O-ND2 2.8Å; Q548-N551 PolarHBondContact O-N 3.11Å
552	Q	35.5	Very low	44.6	Very low	127 Å²	127	93.8 Å²	93.8	59%	0.593	48%	0.478	S	S	*	.	H	α-helix	trans	-77.1	-36.7	171.1	-71.2	175.7	-5.1	0	0	112.8	Q548 L549 I550	Q548-Q552 WeakPolarHBondContact O-CG 3.49Å; Q548-Q552 PolarHBondContact O-N 3.43Å; Q548-Q552 VanDerWaalsContact O-N 3.08Å; L549-Q552 PolarHBondContact O-N 2.88Å; I550-Q552 PolarHBondContact O-N 3.28Å
553	S	38.9	Very low	46.2	Very low	44 Å²	44	92.5 Å²	92.5	31%	0.308	46%	0.464	S	S	.	.	H	α-helix	trans	-70.8	-35.6	175.7	70.1	0	0	0	0	112.3	L549 I550 I555 N556	L549-S553 PolarHBondContact O-N 3.09Å; I550-S553 PolarHBondContact O-N 3.17Å; I550-S553 VanDerWaalsContact O-N 3.13Å; I550-S553 PolarHBondContact O-OG 3.32Å; S553-I555 PolarHBondContact O-N 3.15Å; S553-I555 VanDerWaalsContact O-N 3.11Å; S553-N556 WeakPolarHBondContact O-CB 3.29Å; S553-N556 PolarHBondContact O-N 3.02Å; S553-N556 PolarHBondContact O-ND2 2.65Å
554	M	44.2	Very low	47.2	Very low	57 Å²	57	97.9 Å²	97.9	28%	0.281	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-57.3	-25	179.5	-76.1	-83.9	-84.7	0	0	114.3	I550 N556 Y557 Y615 R663 F665	I550-M554 HydrophobicContact CG2-CG 4.29Å; I550-M554 WeakPolarHBondContact O-CB 3.37Å; I550-M554 WeakPolarHBondContact O-CG 3.19Å; I550-M554 PolarHBondContact O-N 2.89Å; M554-N556 PolarHBondContact O-N 2.99Å; M554-Y557 PolarHBondContact O-N 3.42Å; M554-Y557 HydrophobicContact SD-CD2 4.34Å; M554-Y615 HydrophobicContact CE-CE1 4.42Å; M554-Y615 HydrophobicContact SD-CD1 4.35Å; M554-Y615 HydrophobicContact SD-CE1 3.75Å; M554-R663 HydrophobicContact CE-CB 4.02Å; M554-R663 HydrophobicContact CE-CG 3.8Å; M554-R663 HydrophobicContact SD-CB 4.25Å; M554-R663 HydrophobicContact SD-CG 4.39Å; M554-F665 HydrophobicContact SD-CE2 4.11Å
555	I	43.5	Very low	48.5	Very low	138 Å²	138	99.7 Å²	99.7	71%	0.708	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.6	175.1	-60.7	169.6	0	0	0	111.9	S553	S553-I555 PolarHBondContact O-N 3.15Å; S553-I555 VanDerWaalsContact O-N 3.11Å
556	N	56.4	Low	50.3	Low	103 Å²	103	96 Å²	96	55%	0.551	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-85.7	-12.7	-176.4	-65.1	-67.4	0	0	0	114.6	S553 M554	S553-N556 WeakPolarHBondContact O-CB 3.29Å; S553-N556 PolarHBondContact O-N 3.02Å; S553-N556 PolarHBondContact O-ND2 2.65Å; M554-N556 PolarHBondContact O-N 2.99Å
557	Y	66.2	Low	52.4	Low	53 Å²	53	94.9 Å²	94.9	21%	0.208	49%	0.487	C	S	.	.	S	Bend	trans	-88.9	144	-177.6	-67.6	-58.7	0	0	0	111.9	M554 L559 L578 F665	M554-Y557 PolarHBondContact O-N 3.42Å; M554-Y557 HydrophobicContact SD-CD2 4.34Å; Y557-L559 PolarHBondContact O-N 2.83Å; Y557-L578 HydrophobicContact CD1-CD1 4.04Å; Y557-L578 HydrophobicContact CD1-CD2 3.55Å; Y557-L578 HydrophobicContact CD1-CG 4.47Å; Y557-L578 HydrophobicContact CE1-CD1 3.71Å; Y557-L578 HydrophobicContact CE1-CD2 4.1Å; Y557-L578 HydrophobicContact CG-CD2 4.47Å; Y557-F665 HydrophobicContact CD1-CD2 4.44Å; Y557-F665 HydrophobicContact CD1-CE2 4.17Å; Y557-F665 HydrophobicContact CD1-CZ 4.24Å; Y557-F665 AromaticContact CD2-CD2 3.84Å; Y557-F665 HydrophobicContact CD2-CD2 3.84Å; Y557-F665 AromaticContact CD2-CE2 3.22Å; Y557-F665 HydrophobicContact CD2-CE2 3.22Å; Y557-F665 AromaticContact CD2-CZ 3.81Å; Y557-F665 HydrophobicContact CD2-CZ 3.81Å; Y557-F665 HydrophobicContact CE1-CD2 4.36Å; Y557-F665 HydrophobicContact CE1-CE2 4.49Å; Y557-F665 AromaticContact CE2-CD2 3.75Å; Y557-F665 HydrophobicContact CE2-CD2 3.75Å; Y557-F665 AromaticContact CE2-CE2 3.62Å; Y557-F665 HydrophobicContact CE2-CE2 3.62Å; Y557-F665 HydrophobicContact CG-CD2 4.2Å; Y557-F665 HydrophobicContact CG-CE1 4.39Å; Y557-F665 AromaticContact CG-CE2 3.54Å; Y557-F665 HydrophobicContact CG-CE2 3.54Å; Y557-F665 AromaticContact CG-CZ 3.63Å; Y557-F665 HydrophobicContact CG-CZ 3.63Å
558	P	70.4	Confident	54.7	Low	26 Å²	26	92.7 Å²	92.7	17%	0.169	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-55.1	135.8	174.9	-26.1	35.3	0	0	0	112.3	R663 Y703 K706	P558-R663 PolarHBondContact O-NH1 2.58Å; P558-R663 PolarHBondContact O-NH2 2.83Å; P558-Y703 HydrophobicContact CB-CD1 3.97Å; P558-Y703 HydrophobicContact CB-CE1 3.42Å; P558-Y703 VanDerWaalsContact CB-CE1 3.42Å; P558-Y703 HydrophobicContact CB-CE2 4.22Å; P558-Y703 HydrophobicContact CG-CD1 3.79Å; P558-Y703 HydrophobicContact CG-CD2 4.38Å; P558-Y703 HydrophobicContact CG-CE1 3.79Å; P558-Y703 HydrophobicContact CG-CE2 4.38Å; P558-Y703 HydrophobicContact CG-CG 4.1Å; P558-K706 HydrophobicContact CG-CB 4.31Å
559	L	69.8	Low	57.5	Low	116 Å²	116	89 Å²	89	61%	0.607	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-69.5	145.3	170	-71.9	169.5	0	0	0	110.3	Y557 H561	Y557-L559 PolarHBondContact O-N 2.83Å; L559-H561 PolarHBondContact O-N 2.82Å
560	R	75.8	Confident	60.2	Low	76 Å²	76	89.7 Å²	89.7	29%	0.287	46%	0.464	S	S	.	.			trans	-73.2	62.1	170.3	-64.7	-175.4	-178.3	165.1	2.2	110.7	D580 I581 I701	R560-D580 WeakPolarHBondContact CG-OD2 3.48Å; R560-D580 IonicContact CZ-OD1 3.52Å; R560-D580 IonicContact CZ-OD2 3.64Å; R560-D580 IonicContact NE-OD1 3.66Å; R560-D580 PolarHBondContact NE-OD1 3.27Å; R560-D580 IonicContact NE-OD2 3.83Å; R560-D580 PolarHBondContact NE-OD2 2.7Å; R560-D580 IonicContact NH2-OD1 2.8Å; R560-D580 PolarHBondContact NH2-OD1 2.71Å; R560-D580 IonicContact NH2-OD2 3.39Å; R560-I581 PolarHBondContact NH2-O 2.86Å; R560-I701 HydrophobicContact CG-CD1 4.11Å
561	H	59.1	Low	63	Low	138 Å²	138	90.2 Å²	90.2	64%	0.639	47%	0.468	S	S	*	.			trans	-62.4	158.5	171.6	-70	125.3	0	0	0	110.8	L559 I563	L559-H561 PolarHBondContact O-N 2.82Å; H561-I563 VanDerWaalsContact O-CG1 3.26Å; H561-I563 WeakPolarHBondContact O-CG1 3.47Å; H561-I563 PolarHBondContact O-N 2.8Å
562	S	54	Low	65.8	Low	94 Å²	94	85.9 Å²	85.9	66%	0.657	45%	0.445	S	S	*	.			trans	-66	102.5	-176.5	-162.1	0	0	0	0	111	K564	S562-K564 PolarHBondContact O-N 2.97Å; S562-K564 WeakPolarHBondContact OG-CG 3.41Å
563	I	60.1	Low	68.6	Low	47 Å²	47	85 Å²	85	24%	0.241	44%	0.44	C	S	.	.			trans	-75.5	68.7	-178.3	-50	-172.6	0	0	0	109.4	H561 F566 I701 Y711	H561-I563 VanDerWaalsContact O-CG1 3.26Å; H561-I563 WeakPolarHBondContact O-CG1 3.47Å; H561-I563 PolarHBondContact O-N 2.8Å; I563-F566 HydrophobicContact CG2-CB 3.3Å; I563-F566 HydrophobicContact CG2-CG 3.91Å; I563-I701 HydrophobicContact CD1-CD1 3.61Å; I563-I701 HydrophobicContact CD1-CG1 3.68Å; I563-I701 HydrophobicContact CD1-CG2 4.19Å; I563-Y711 HydrophobicContact CB-CD1 3.71Å; I563-Y711 HydrophobicContact CB-CE1 4.01Å; I563-Y711 HydrophobicContact CB-CG 4.37Å; I563-Y711 HydrophobicContact CD1-CD1 4.03Å; I563-Y711 HydrophobicContact CD1-CD2 4.18Å; I563-Y711 HydrophobicContact CD1-CG 3.79Å; I563-Y711 HydrophobicContact CG1-CD1 4.37Å; I563-Y711 HydrophobicContact CG2-CD1 3.66Å; I563-Y711 HydrophobicContact CG2-CE1 4.42Å; I563-Y711 HydrophobicContact CG2-CG 4.2Å
564	K	51.8	Low	71.2	Confident	171 Å²	171	83.1 Å²	83.1	74%	0.743	43%	0.427	S	S	*	.			trans	-94.4	-9	-170.3	-93.8	-178.4	175.7	-174.6	0	115.8	S562	S562-K564 PolarHBondContact O-N 2.97Å; S562-K564 WeakPolarHBondContact OG-CG 3.41Å
565	N	58.1	Low	73.4	Confident	172 Å²	172	82.4 Å²	82.4	92%	0.92	42%	0.423	S	S	*	.	S	Bend	trans	-148.9	76.6	175.1	-78.7	-42	0	0	0	108
566	F	68	Low	75.8	Confident	49 Å²	49	80 Å²	80	22%	0.215	41%	0.409	C	S	.	.			trans	-118	137.9	-179.5	165.6	-96.2	0	0	0	111	I563 I568 P708 I709	I563-F566 HydrophobicContact CG2-CB 3.3Å; I563-F566 HydrophobicContact CG2-CG 3.91Å; F566-I568 HydrophobicContact CE1-CG1 3.89Å; F566-I568 HydrophobicContact CZ-CG1 4.16Å; F566-P708 HydrophobicContact CD2-CB 4.46Å; F566-P708 HydrophobicContact CE2-CB 4.39Å; F566-P708 WeakPolarHBondContact CE2-O 3.35Å; F566-I709 VanDerWaalsContact CZ-C 3.42Å; F566-I709 WeakPolarHBondContact CZ-O 3.31Å
567	S	75.8	Confident	77.8	Confident	95 Å²	95	75.1 Å²	75.1	66%	0.664	38%	0.382	S	S	*	.			trans	-125.1	134.1	176.6	55.3	0	0	0	0	109.6
568	I	85.1	Confident	79.2	Confident	68 Å²	68	73.2 Å²	73.2	35%	0.349	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.8	125.8	171.9	-59.3	176	0	0	0	108.2	F566 F710 F730	F566-I568 HydrophobicContact CE1-CG1 3.89Å; F566-I568 HydrophobicContact CZ-CG1 4.16Å; I568-F710 HydrophobicContact CD1-CD2 4.32Å; I568-F730 HydrophobicContact CG2-CD1 3.63Å; I568-F730 HydrophobicContact CG2-CE1 3.85Å
569	P	89.8	Confident	80.4	Confident	43 Å²	43	72 Å²	72	28%	0.279	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-74.9	149.1	179.6	30.7	-34.6	0	0	0	111.3	P572 I709 F730	P569-P572 HydrophobicContact CB-CB 4.45Å; P569-P572 HydrophobicContact CG-CB 3.97Å; P569-P572 HydrophobicContact CG-CG 4.03Å; P569-I709 WeakPolarHBondContact CD-O 3.25Å; P569-I709 HydrophobicContact CG-CB 4.06Å; P569-I709 HydrophobicContact CG-CG2 4Å; P569-F730 HydrophobicContact CG-CD1 4.35Å; P569-F730 WeakPolarHBondContact O-CD1 3.46Å
570	E	91	Very high	81.6	Confident	118 Å²	118	66.5 Å²	66.5	55%	0.551	34%	0.339	S	S	*	.	S	Bend	trans	-83.1	130.6	167.9	-174.3	156.8	-130.5	0	0	110.3	F730 T732	E570-F730 CarbonylContact C-O 3.55Å; E570-F730 WeakPolarHBondContact CA-O 3.48Å; E570-T732 WeakPolarHBondContact OE1-CB 3.44Å; E570-T732 WeakPolarHBondContact OE1-CG2 3.44Å; E570-T732 PolarHBondContact OE1-N 2.6Å; E570-T732 PolarHBondContact OE1-OG1 3.04Å
571	L	92.8	Very high	82.5	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.277	33%	0.325	S	S	.	.	S	Bend	trans	45.5	55.8	175.8	-66.2	-179.9	0	0	0	115	S677 A679 F730 C731 I736	L571-S677 WeakPolarHBondContact O-CB 3.39Å; L571-A679 HydrophobicContact CD2-CB 3.94Å; L571-F730 PolarHBondContact N-O 2.86Å; L571-C731 HydrophobicContact CD2-CB 3.74Å; L571-C731 HydrophobicContact CG-CB 4.47Å; L571-I736 HydrophobicContact CD1-CD1 3.96Å; L571-I736 HydrophobicContact CD2-CD1 4.43Å
572	P	95	Very high	84.1	Confident	16 Å²	16	57.7 Å²	57.7	10%	0.104	30%	0.302	C	S	.	.			trans	-63.2	144.8	178.3	30.3	-36.5	0	0	0	112	P569 S677 I678 L704 I709 F730	P569-P572 HydrophobicContact CB-CB 4.45Å; P569-P572 HydrophobicContact CG-CB 3.97Å; P569-P572 HydrophobicContact CG-CG 4.03Å; P572-S677 WeakPolarHBondContact O-CA 3.44Å; P572-S677 WeakPolarHBondContact O-CB 3.37Å; P572-I678 WeakPolarHBondContact CD-O 3.22Å; P572-I678 PolarHBondContact O-N 2.83Å; P572-L704 HydrophobicContact CB-CD2 3.91Å; P572-I709 HydrophobicContact CB-CG2 4.32Å; P572-F730 HydrophobicContact CG-CB 4.28Å; P572-F730 HydrophobicContact CG-CD1 3.75Å; P572-F730 HydrophobicContact CG-CE1 4.25Å; P572-F730 HydrophobicContact CG-CG 4.01Å
573	F	94.6	Very high	86	Confident	109 Å²	109	53.8 Å²	53.8	48%	0.478	28%	0.275	S	S	.	.			trans	-124.5	142.9	177.8	179.6	-97.1	0	0	0	110.4	H575 I674 S676	F573-H575 AromaticContact CE1-CE1 3.97Å; F573-H575 AromaticContact CZ-CE1 3.64Å; F573-H575 AromaticContact CZ-NE2 3.79Å; F573-I674 WeakPolarHBondContact CE2-O 3.49Å; F573-S676 WeakPolarHBondContact CD2-O 3.35Å
574	G	92.7	Very high	87.7	Confident	4 Å²	4	52.3 Å²	52.3	4%	0.041	27%	0.268	C	S	.	.			trans	163.4	178.1	-177.2	0	0	0	0	0	111.6	D705	G574-D705 WeakPolarHBondContact CA-OD2 3.41Å
575	H	91.4	Very high	89.7	Confident	41 Å²	41	47.7 Å²	47.7	19%	0.19	25%	0.246	C	C	.	.	S	Bend	trans	-123.4	-14.5	-171.2	-64.8	112.6	0	0	0	116	F573 T669 L670 I674 D705	F573-H575 AromaticContact CE1-CE1 3.97Å; F573-H575 AromaticContact CZ-CE1 3.64Å; F573-H575 AromaticContact CZ-NE2 3.79Å; H575-T669 CarbonylContact O-C 3.58Å; H575-T669 WeakPolarHBondContact O-CA 3.26Å; H575-L670 PolarHBondContact O-N 3.05Å; H575-I674 PolarHBondContact NE2-O 2.93Å; H575-D705 PolarHBondContact N-OD1 2.99Å; H575-D705 VanDerWaalsContact N-OD1 3.16Å; H575-D705 PolarHBondContact N-OD2 3.38Å
576	Q	94.5	Very high	91.1	Very high	88 Å²	88	41.9 Å²	41.9	41%	0.411	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104.3	178.7	-59.4	-164.5	-47.9	0	0	111.7	L704 D705	Q576-L704 CarbonylContact O-C 3.59Å; Q576-L704 WeakPolarHBondContact O-CA 3.34Å; Q576-D705 WeakPolarHBondContact CB-OD1 3.2Å; Q576-D705 PolarHBondContact N-OD1 3.46Å; Q576-D705 PolarHBondContact O-N 3.39Å
577	L	96.9	Very high	92.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.7	166.8	-72.3	170.8	0	0	0	110.6	F579 I598 Q667 I668 L670 I678 I681 I702 Y703 L704 I709	L577-F579 HydrophobicContact CB-CD2 4.37Å; L577-F579 HydrophobicContact CB-CE2 3.73Å; L577-F579 HydrophobicContact CB-CZ 4.47Å; L577-F579 HydrophobicContact CD1-CE2 4.11Å; L577-F579 HydrophobicContact CD1-CZ 4.14Å; L577-F579 HydrophobicContact CG-CE2 4.47Å; L577-I598 HydrophobicContact CD1-CD1 3.6Å; L577-I598 HydrophobicContact CD1-CG1 4.17Å; L577-Q667 CarbonylContact O-C 3.48Å; L577-Q667 WeakPolarHBondContact O-CA 3.19Å; L577-I668 HydrophobicContact CB-CB 4.24Å; L577-I668 PolarHBondContact N-O 3.3Å; L577-I668 PolarHBondContact O-N 3.32Å; L577-L670 HydrophobicContact CD1-CD1 3.84Å; L577-L670 HydrophobicContact CG-CD1 4Å; L577-I678 HydrophobicContact CD1-CD1 4.21Å; L577-I678 HydrophobicContact CD2-CD1 4.12Å; L577-I678 HydrophobicContact CG-CD1 4.32Å; L577-I681 HydrophobicContact CD1-CD1 3.96Å; L577-I681 HydrophobicContact CD2-CD1 4.07Å; L577-I702 HydrophobicContact CD2-CG2 3.93Å; L577-Y703 CarbonylContact C-O 3.54Å; L577-Y703 VanDerWaalsContact CA-O 3.29Å; L577-Y703 WeakPolarHBondContact CA-O 3.44Å; L577-L704 HydrophobicContact CD2-CB 4.15Å; L577-L704 HydrophobicContact CD2-CD1 3.69Å; L577-L704 HydrophobicContact CD2-CG 4.48Å; L577-L704 HydrophobicContact CG-CD1 3.96Å; L577-I709 HydrophobicContact CD2-CD1 3.76Å
578	L	95.8	Very high	92.7	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.2	172.1	-178	76.3	0	0	0	109.3	Y557 F665 Q667 I702 Y703	Y557-L578 HydrophobicContact CD1-CD1 4.04Å; Y557-L578 HydrophobicContact CD1-CD2 3.55Å; Y557-L578 HydrophobicContact CD1-CG 4.47Å; Y557-L578 HydrophobicContact CE1-CD1 3.71Å; Y557-L578 HydrophobicContact CE1-CD2 4.1Å; Y557-L578 HydrophobicContact CG-CD2 4.47Å; L578-F665 HydrophobicContact CD1-CB 3.88Å; L578-F665 HydrophobicContact CD1-CD1 3.91Å; L578-F665 HydrophobicContact CD1-CG 4Å; L578-F665 HydrophobicContact CD2-CD1 4.13Å; L578-F665 HydrophobicContact CD2-CE1 4.12Å; L578-F665 HydrophobicContact CG-CD1 4.03Å; L578-Q667 HydrophobicContact CD1-CB 4.01Å; L578-Q667 HydrophobicContact CD1-CG 4.37Å; L578-I702 CarbonylContact O-C 3.54Å; L578-I702 WeakPolarHBondContact O-CA 3.43Å; L578-Y703 HydrophobicContact CB-CD2 4.44Å; L578-Y703 HydrophobicContact CD2-CD2 4.11Å; L578-Y703 HydrophobicContact CG-CD2 4.49Å; L578-Y703 PolarHBondContact N-O 3.27Å; L578-Y703 PolarHBondContact O-N 2.9Å
579	F	96.6	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.8	177.7	-61	-106.7	0	0	0	108.1	L577 I596 F665 I666 I668 I681 I683 M700 I701 I702	L577-F579 HydrophobicContact CB-CD2 4.37Å; L577-F579 HydrophobicContact CB-CE2 3.73Å; L577-F579 HydrophobicContact CB-CZ 4.47Å; L577-F579 HydrophobicContact CD1-CE2 4.11Å; L577-F579 HydrophobicContact CD1-CZ 4.14Å; L577-F579 HydrophobicContact CG-CE2 4.47Å; F579-I596 HydrophobicContact CD1-CD1 4.27Å; F579-I596 HydrophobicContact CE1-CD1 4.1Å; F579-I596 HydrophobicContact CE1-CG2 4.1Å; F579-I596 HydrophobicContact CE2-CD1 4.38Å; F579-I596 HydrophobicContact CG-CD1 4.5Å; F579-I596 HydrophobicContact CZ-CD1 4.17Å; F579-I596 HydrophobicContact CZ-CG2 3.79Å; F579-F665 CarbonylContact O-C 3.59Å; F579-F665 VanDerWaalsContact O-CA 3.23Å; F579-F665 WeakPolarHBondContact O-CA 3.36Å; F579-I666 HydrophobicContact CB-CB 4.14Å; F579-I666 PolarHBondContact N-O 2.79Å; F579-I666 PolarHBondContact O-N 2.94Å; F579-I668 HydrophobicContact CD2-CD1 4.47Å; F579-I668 HydrophobicContact CD2-CG1 4.48Å; F579-I668 HydrophobicContact CE2-CB 4.37Å; F579-I668 HydrophobicContact CE2-CD1 3.67Å; F579-I668 HydrophobicContact CE2-CG1 3.96Å; F579-I668 HydrophobicContact CZ-CD1 4.19Å; F579-I681 HydrophobicContact CE1-CG2 4.26Å; F579-I681 HydrophobicContact CZ-CG2 4.41Å; F579-I683 HydrophobicContact CD1-CD1 4.23Å; F579-I683 HydrophobicContact CE1-CD1 4.01Å; F579-M700 HydrophobicContact CB-CE 3.81Å; F579-M700 HydrophobicContact CD1-CE 3.82Å; F579-M700 HydrophobicContact CD1-SD 4.43Å; F579-M700 HydrophobicContact CG-CE 4.31Å; F579-I701 CarbonylContact C-O 3.56Å; F579-I701 WeakPolarHBondContact CA-O 3.28Å; F579-I702 HydrophobicContact CD1-CD1 3.77Å; F579-I702 HydrophobicContact CD1-CG1 3.67Å; F579-I702 HydrophobicContact CD1-CG2 4.14Å; F579-I702 HydrophobicContact CE1-CD1 3.62Å; F579-I702 HydrophobicContact CE1-CG1 4.01Å; F579-I702 HydrophobicContact CE1-CG2 4.12Å; F579-I702 HydrophobicContact CG-CG1 4.4Å; F579-I702 HydrophobicContact CG-CG2 4.38Å; F579-I702 HydrophobicContact CZ-CG2 4.33Å
580	D	93.9	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	104.9	-177.3	178.4	37.4	0	0	0	110.1	R560 I582 R663 F665 M700 I701 Y703	R560-D580 WeakPolarHBondContact CG-OD2 3.48Å; R560-D580 IonicContact CZ-OD1 3.52Å; R560-D580 IonicContact CZ-OD2 3.64Å; R560-D580 IonicContact NE-OD1 3.66Å; R560-D580 PolarHBondContact NE-OD1 3.27Å; R560-D580 IonicContact NE-OD2 3.83Å; R560-D580 PolarHBondContact NE-OD2 2.7Å; R560-D580 IonicContact NH2-OD1 2.8Å; R560-D580 PolarHBondContact NH2-OD1 2.71Å; R560-D580 IonicContact NH2-OD2 3.39Å; D580-I582 PolarHBondContact O-N 2.72Å; D580-R663 VanDerWaalsContact CG-NH2 3.26Å; D580-R663 IonicContact OD1-CZ 2.68Å; D580-R663 IonicContact OD1-NE 2.73Å; D580-R663 PolarHBondContact OD1-NE 3.48Å; D580-R663 IonicContact OD1-NH2 2.84Å; D580-R663 IonicContact OD2-CZ 2.7Å; D580-R663 IonicContact OD2-NE 2.81Å; D580-R663 PolarHBondContact OD2-NE 3.17Å; D580-R663 IonicContact OD2-NH2 3.24Å; D580-R663 PolarHBondContact OD2-NH2 3.41Å; D580-F665 HydrophobicContact CB-CD1 3.83Å; D580-F665 HydrophobicContact CB-CE1 3.79Å; D580-F665 VanDerWaalsContact OD1-CE1 3.26Å; D580-F665 WeakPolarHBondContact OD1-CE1 3.42Å; D580-M700 VanDerWaalsContact O-CA 3.27Å; D580-M700 WeakPolarHBondContact O-CA 3.42Å; D580-M700 WeakPolarHBondContact O-CB 3.12Å; D580-I701 HydrophobicContact CB-CB 4.37Å; D580-I701 PolarHBondContact N-O 3.5Å; D580-I701 PolarHBondContact O-N 2.86Å; D580-Y703 HydrophobicContact CB-CE2 4.06Å
581	I	95.3	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.6	-174.3	-65.4	167	0	0	0	109.7	R560 V591 W654 F658 H664 I666 V697 M700	R560-I581 PolarHBondContact NH2-O 2.86Å; I581-V591 HydrophobicContact CD1-CG1 4.34Å; I581-V591 HydrophobicContact CG2-CG1 4.32Å; I581-V591 HydrophobicContact CG2-CG2 3.9Å; I581-W654 HydrophobicContact CD1-CH2 4.05Å; I581-W654 HydrophobicContact CD1-CZ3 3.97Å; I581-F658 HydrophobicContact CG2-CE2 4.08Å; I581-H664 HydrophobicContact CB-CB 4.03Å; I581-H664 PolarHBondContact N-O 2.65Å; I581-I666 HydrophobicContact CD1-CD1 4.1Å; I581-V697 HydrophobicContact CD1-CG2 3.92Å; I581-V697 HydrophobicContact CG1-CG1 4.49Å; I581-V697 HydrophobicContact CG1-CG2 3.94Å; I581-V697 HydrophobicContact CG2-CG1 4.33Å; I581-V697 HydrophobicContact CG2-CG2 4.06Å; I581-M700 HydrophobicContact CG1-CE 4.24Å
582	I	92.2	Very high	93.5	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	19%	0.187	C	C	.	.			trans	-92	-45	-176.4	-68.8	165.5	0	0	0	111.7	D580 E699 I701 Y711	D580-I582 PolarHBondContact O-N 2.72Å; I582-E699 HydrophobicContact CB-CB 3.87Å; I582-E699 WeakPolarHBondContact CB-O 3.41Å; I582-E699 HydrophobicContact CD1-CB 4.47Å; I582-E699 HydrophobicContact CG2-CB 4.09Å; I582-E699 PolarHBondContact N-O 3.18Å; I582-I701 HydrophobicContact CD1-CD1 3.84Å; I582-I701 HydrophobicContact CD1-CG1 3.79Å; I582-Y711 HydrophobicContact CD1-CD2 4.2Å; I582-Y711 HydrophobicContact CD1-CE2 3.65Å
583	S	93.7	Very high	93.6	Very high	12 Å²	12	34.9 Å²	34.9	8%	0.084	18%	0.183	C	C	.	.			trans	-153.3	166.9	-173.2	65.5	0	0	0	0	112.3	K698 E699	S583-K698 PolarHBondContact O-N 2.93Å; S583-E699 WeakPolarHBondContact CB-OE2 3.07Å; S583-E699 PolarHBondContact N-O 2.75Å; S583-E699 WeakPolarHBondContact OG-CB 3.44Å; S583-E699 PolarHBondContact OG-N 3.41Å; S583-E699 PolarHBondContact OG-OE2 2.97Å
584	T	96	Very high	93.6	Very high	16 Å²	16	29.7 Å²	29.7	10%	0.098	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-112.5	169.7	177.9	72.8	0	0	0	0	111.2	G586 N587 V591 F658 G696 K698	T584-G586 PolarHBondContact O-N 3.42Å; T584-G586 PolarHBondContact OG1-N 2.74Å; T584-N587 PolarHBondContact OG1-N 3.22Å; T584-N587 PolarHBondContact OG1-O 3.31Å; T584-V591 HydrophobicContact CG2-CB 3.77Å; T584-V591 HydrophobicContact CG2-CG2 3.71Å; T584-F658 HydrophobicContact CG2-CD1 3.66Å; T584-F658 HydrophobicContact CG2-CD2 4.48Å; T584-F658 HydrophobicContact CG2-CE1 3.79Å; T584-F658 HydrophobicContact CG2-CG 4.04Å; T584-F658 HydrophobicContact CG2-CZ 4.26Å; T584-G696 CarbonylContact C-O 3.52Å; T584-G696 VanDerWaalsContact CA-O 3.27Å; T584-G696 WeakPolarHBondContact CA-O 3.35Å; T584-K698 VanDerWaalsContact C-CB 3.42Å; T584-K698 WeakPolarHBondContact O-CB 3.48Å
585	W	94.9	Very high	93.7	Very high	75 Å²	75	29.5 Å²	29.5	28%	0.284	16%	0.158	S	C	.	.	S	Bend	trans	-74.6	8.6	172.7	-81.2	102.6	0	0	0	115.1	L694 G696 V697 K698 I714 K716	W585-L694 CarbonylContact C-O 3.53Å; W585-L694 VanDerWaalsContact O-CD2 3.26Å; W585-L694 WeakPolarHBondContact O-CD2 3.27Å; W585-G696 PolarHBondContact N-O 2.7Å; W585-V697 PolarHBondContact NE1-O 2.79Å; W585-V697 VanDerWaalsContact NE1-O 3.1Å; W585-K698 HydrophobicContact CD2-CB 4.12Å; W585-K698 HydrophobicContact CD2-CG 4.12Å; W585-K698 HydrophobicContact CE3-CD 4.49Å; W585-K698 HydrophobicContact CE3-CG 4.46Å; W585-K698 HydrophobicContact CG-CB 4.09Å; W585-K698 HydrophobicContact CH2-CG 4.43Å; W585-K698 HydrophobicContact CZ2-CG 4.08Å; W585-I714 VanDerWaalsContact CZ2-O 3.31Å; W585-I714 WeakPolarHBondContact CZ2-O 3.39Å; W585-I714 PolarHBondContact NE1-O 3.19Å; W585-K716 HydrophobicContact CB-CD 3.97Å; W585-K716 HydrophobicContact CB-CG 3.87Å; W585-K716 HydrophobicContact CD2-CB 3.55Å; W585-K716 HydrophobicContact CD2-CD 4Å; W585-K716 HydrophobicContact CD2-CG 3.74Å; W585-K716 HydrophobicContact CE3-CB 4.03Å; W585-K716 HydrophobicContact CE3-CD 4.02Å; W585-K716 HydrophobicContact CE3-CG 4.24Å; W585-K716 HydrophobicContact CG-CB 3.82Å; W585-K716 HydrophobicContact CG-CD 3.98Å; W585-K716 HydrophobicContact CG-CG 3.54Å; W585-K716 HydrophobicContact CH2-CB 4.47Å; W585-K716 HydrophobicContact CZ2-CB 4.05Å; W585-K716 HydrophobicContact CZ3-CB 4.46Å
586	G	86.9	Confident	94	Very high	50 Å²	50	27.6 Å²	27.6	52%	0.515	15%	0.149	S	C	.	.	S	Bend	trans	144.4	-7.7	169	0	0	0	0	0	116.1	T584 L694	T584-G586 PolarHBondContact O-N 3.42Å; T584-G586 PolarHBondContact OG1-N 2.74Å; G586-L694 PolarHBondContact N-O 2.69Å
587	N	90.3	Very high	94.1	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.134	13%	0.131	C	C	.	.			trans	-81.1	127	172.5	-166.4	-29.7	0	0	0	111.1	T584 N589 Y590 L694 Y695	T584-N587 PolarHBondContact OG1-N 3.22Å; T584-N587 PolarHBondContact OG1-O 3.31Å; N587-N589 PolarHBondContact OD1-N 2.85Å; N587-Y590 PolarHBondContact OD1-N 3.28Å; N587-L694 WeakPolarHBondContact CB-O 3.45Å; N587-L694 PolarHBondContact N-O 3.34Å; N587-Y695 HydrophobicContact CB-CD1 3.77Å; N587-Y695 HydrophobicContact CB-CE1 4.41Å; N587-Y695 HydrophobicContact CB-CG 4.46Å; N587-Y695 WeakPolarHBondContact ND2-CD1 3.36Å; N587-Y695 WeakPolarHBondContact ND2-CE1 3.39Å
588	L	87.6	Confident	94	Very high	129 Å²	129	23.8 Å²	23.8	68%	0.675	13%	0.131	S	C	*	.	S	Bend	trans	-85.4	-14	-178.5	-58.9	177.2	0	0	0	113.9	F658	L588-F658 VanDerWaalsContact O-O 3.08Å
589	N	90.7	Very high	93.9	Very high	103 Å²	103	23.1 Å²	23.1	55%	0.551	13%	0.127	S	C	*	.	S	Bend	trans	-121.1	-17.9	-165.9	-65.3	39.5	0	0	0	113.8	N587 P657 F658	N587-N589 PolarHBondContact OD1-N 2.85Å; N589-P657 CarbonylContact O-C 3.53Å; N589-P657 WeakPolarHBondContact O-CA 3.26Å; N589-F658 CarbonylContact C-O 3.54Å; N589-F658 WeakPolarHBondContact CA-O 3.49Å; N589-F658 PolarHBondContact O-N 2.77Å
590	Y	93.4	Very high	93.8	Very high	38 Å²	38	23.3 Å²	23.3	15%	0.149	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.4	-176.2	-65	-83.5	0	0	0	111.4	N587 L622 Y625 L655 I656 F658	N587-Y590 PolarHBondContact OD1-N 3.28Å; Y590-L622 HydrophobicContact CE1-CD1 4.22Å; Y590-L622 HydrophobicContact CE1-CD2 4.29Å; Y590-L622 HydrophobicContact CE1-CG 4.31Å; Y590-Y625 HydrophobicContact CE2-CD2 4.33Å; Y590-Y625 HydrophobicContact CE2-CE2 4.44Å; Y590-L655 HydrophobicContact CD1-CD2 4.46Å; Y590-L655 HydrophobicContact CD1-CG 4.41Å; Y590-I656 VanDerWaalsContact CA-O 3.28Å; Y590-I656 WeakPolarHBondContact CA-O 3.39Å; Y590-F658 VanDerWaalsContact C-CB 3.46Å
591	V	95	Very high	93.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.7	168.4	72.5	0	0	0	0	110.5	I581 T584 L655 I656 F658 Y695 V697	I581-V591 HydrophobicContact CD1-CG1 4.34Å; I581-V591 HydrophobicContact CG2-CG1 4.32Å; I581-V591 HydrophobicContact CG2-CG2 3.9Å; T584-V591 HydrophobicContact CG2-CB 3.77Å; T584-V591 HydrophobicContact CG2-CG2 3.71Å; V591-L655 WeakPolarHBondContact O-CA 3.23Å; V591-I656 HydrophobicContact CG1-CD1 4.19Å; V591-I656 HydrophobicContact CG1-CG1 3.85Å; V591-I656 PolarHBondContact N-O 3.45Å; V591-I656 PolarHBondContact O-N 2.87Å; V591-F658 HydrophobicContact CB-CB 3.85Å; V591-F658 HydrophobicContact CB-CD2 3.9Å; V591-F658 HydrophobicContact CB-CG 3.96Å; V591-F658 HydrophobicContact CG1-CB 3.91Å; V591-F658 HydrophobicContact CG1-CD2 3.67Å; V591-F658 HydrophobicContact CG1-CG 4.1Å; V591-Y695 CarbonylContact C-O 3.59Å; V591-Y695 VanDerWaalsContact CA-O 3.28Å; V591-Y695 WeakPolarHBondContact CA-O 3.28Å; V591-V697 HydrophobicContact CG2-CG2 3.67Å
592	G	95.3	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170	177.7	0	0	0	0	0	113.5	W654 Y695	G592-W654 CarbonylContact C-O 3.56Å; G592-W654 WeakPolarHBondContact CA-O 3.35Å; G592-Y695 PolarHBondContact N-O 2.9Å
593	L	97.1	Very high	92.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.2	170.9	-74.4	177.4	0	0	0	108	I596 L640 W654 I666 I683 V697	L593-I596 HydrophobicContact CD1-CD1 4.22Å; L593-I596 HydrophobicContact CD1-CG1 4.3Å; L593-L640 HydrophobicContact CB-CD1 4.43Å; L593-L640 HydrophobicContact CB-CD2 3.54Å; L593-L640 WeakPolarHBondContact O-CD2 3.45Å; L593-W654 HydrophobicContact CB-CE3 4.46Å; L593-W654 PolarHBondContact N-O 2.85Å; L593-W654 VanDerWaalsContact N-O 3.07Å; L593-W654 PolarHBondContact O-N 2.81Å; L593-I666 HydrophobicContact CD1-CD1 3.84Å; L593-I683 HydrophobicContact CD1-CG2 4.2Å; L593-I683 HydrophobicContact CD2-CG2 3.83Å; L593-V697 HydrophobicContact CD1-CG2 4.27Å; L593-V697 HydrophobicContact CD2-CB 4.02Å; L593-V697 HydrophobicContact CD2-CG2 3.7Å; L593-V697 HydrophobicContact CG-CG2 3.81Å
594	T	95.6	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-45	170.1	-55.3	0	0	0	0	109.7	N645 T647 M653 W684 N685 N687 Y724	T594-N645 WeakPolarHBondContact CG2-O 3.27Å; T594-T647 HydrophobicContact CG2-CG2 3.55Å; T594-M653 HydrophobicContact CG2-CE 3.98Å; T594-M653 HydrophobicContact CG2-CG 4.03Å; T594-W684 WeakPolarHBondContact CA-O 3.4Å; T594-W684 WeakPolarHBondContact CB-O 3.27Å; T594-W684 PolarHBondContact N-O 3.43Å; T594-N685 PolarHBondContact OG1-O 2.94Å; T594-N687 PolarHBondContact OG1-N 3.45Å; T594-Y724 HydrophobicContact CG2-CE2 4.43Å
595	G	95.4	Very high	92.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	169.8	-176.5	0	0	0	0	0	115.3	N645 W684	G595-N645 WeakPolarHBondContact CA-OD1 3.49Å; G595-W684 PolarHBondContact N-O 3.33Å; G595-W684 VanDerWaalsContact N-O 3.14Å; G595-W684 WeakPolarHBondContact O-CB 3.37Å; G595-W684 PolarHBondContact O-N 2.99Å
596	I	97.3	Very high	91.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131	176.5	-62.1	172.5	0	0	0	106.8	F579 L593 I598 T607 L640 I666 I668 I681 R682	F579-I596 HydrophobicContact CD1-CD1 4.27Å; F579-I596 HydrophobicContact CE1-CD1 4.1Å; F579-I596 HydrophobicContact CE1-CG2 4.1Å; F579-I596 HydrophobicContact CE2-CD1 4.38Å; F579-I596 HydrophobicContact CG-CD1 4.5Å; F579-I596 HydrophobicContact CZ-CD1 4.17Å; F579-I596 HydrophobicContact CZ-CG2 3.79Å; L593-I596 HydrophobicContact CD1-CD1 4.22Å; L593-I596 HydrophobicContact CD1-CG1 4.3Å; I596-I598 HydrophobicContact CG2-CG1 4.5Å; I596-T607 WeakPolarHBondContact O-CG2 3.3Å; I596-L640 HydrophobicContact CD1-CD1 4.22Å; I596-L640 PolarHBondContact N-O 3.43Å; I596-I666 HydrophobicContact CD1-CD1 4.23Å; I596-I666 HydrophobicContact CD1-CG2 4.38Å; I596-I668 HydrophobicContact CB-CD1 4.42Å; I596-I668 HydrophobicContact CD1-CD1 4.11Å; I596-I668 HydrophobicContact CG2-CD1 4.07Å; I596-I681 HydrophobicContact CG2-CG2 4.22Å; I596-R682 CarbonylContact C-O 3.47Å; I596-R682 WeakPolarHBondContact CA-O 2.9Å
597	E	96.1	Very high	92	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.7	171.3	-53.5	-176.4	83.9	0	0	111.9	F599 N605 T607 N645 I681 R682 W684	E597-F599 HydrophobicContact CB-CD2 4.28Å; E597-F599 HydrophobicContact CB-CE2 3.76Å; E597-N605 PolarHBondContact OE1-ND2 3.19Å; E597-T607 WeakPolarHBondContact CA-OG1 3.3Å; E597-N645 VanDerWaalsContact CD-ND2 3.32Å; E597-N645 VanDerWaalsContact CG-ND2 3.27Å; E597-N645 WeakPolarHBondContact CG-ND2 3.43Å; E597-I681 CarbonylContact O-C 3.35Å; E597-I681 VanDerWaalsContact O-CA 3.29Å; E597-I681 WeakPolarHBondContact O-CA 3.5Å; E597-R682 HydrophobicContact CB-CB 4.11Å; E597-R682 PolarHBondContact N-O 2.82Å; E597-R682 PolarHBondContact O-N 3.4Å; E597-R682 VanDerWaalsContact OE2-CD 3.32Å; E597-R682 WeakPolarHBondContact OE2-CD 3.14Å; E597-R682 IonicContact OE2-CZ 3.68Å; E597-R682 IonicContact OE2-NE 3.92Å; E597-R682 IonicContact OE2-NH1 2.72Å; E597-R682 PolarHBondContact OE2-NH1 2.71Å; E597-W684 PolarHBondContact OE2-NE1 3.03Å
598	I	95.7	Very high	91.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.7	179.9	-54.4	163.5	0	0	0	108.7	L577 I596 N605 I606 T607 I668 L670 I678 I681	L577-I598 HydrophobicContact CD1-CD1 3.6Å; L577-I598 HydrophobicContact CD1-CG1 4.17Å; I596-I598 HydrophobicContact CG2-CG1 4.5Å; I598-N605 WeakPolarHBondContact O-CA 3.28Å; I598-I606 HydrophobicContact CB-CD1 4.38Å; I598-I606 HydrophobicContact CB-CG1 3.97Å; I598-I606 HydrophobicContact CG2-CD1 3.86Å; I598-I606 HydrophobicContact CG2-CG1 3.9Å; I598-I606 WeakPolarHBondContact O-CG1 3.48Å; I598-I606 PolarHBondContact O-N 3.48Å; I598-T607 PolarHBondContact N-OG1 3Å; I598-I668 HydrophobicContact CD1-CD1 4.3Å; I598-I668 HydrophobicContact CD1-CG2 3.92Å; I598-L670 HydrophobicContact CD1-CD1 4.33Å; I598-I678 HydrophobicContact CG2-CG1 4.37Å; I598-I678 HydrophobicContact CG2-CG2 4.22Å; I598-I681 HydrophobicContact CG1-CG1 4.44Å
599	F	93.9	Very high	91.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.9	176.9	-66.8	-102.9	0	0	0	110.9	E597 M604 N605 A679 L680 I740 D744	E597-F599 HydrophobicContact CB-CD2 4.28Å; E597-F599 HydrophobicContact CB-CE2 3.76Å; F599-M604 WeakPolarHBondContact CA-O 3.45Å; F599-N605 HydrophobicContact CD1-CB 3.87Å; F599-N605 HydrophobicContact CE1-CB 3.71Å; F599-N605 HydrophobicContact CG-CB 4.48Å; F599-N605 HydrophobicContact CZ-CB 4.17Å; F599-N605 VanDerWaalsContact CZ-ND2 3.32Å; F599-N605 WeakPolarHBondContact CZ-ND2 3.24Å; F599-A679 PolarHBondContact O-N 2.88Å; F599-L680 HydrophobicContact CB-CB 4.23Å; F599-L680 HydrophobicContact CD2-CD2 3.62Å; F599-L680 HydrophobicContact CE2-CD2 4.15Å; F599-L680 HydrophobicContact CG-CD2 4.38Å; F599-L680 PolarHBondContact N-O 3.23Å; F599-L680 PolarHBondContact O-N 3.3Å; F599-L680 VanDerWaalsContact O-N 3.16Å; F599-I740 HydrophobicContact CB-CD1 4.3Å; F599-I740 HydrophobicContact CB-CG1 4.21Å; F599-I740 HydrophobicContact CB-CG2 4.41Å; F599-I740 HydrophobicContact CD1-CG2 3.75Å; F599-I740 HydrophobicContact CE1-CG2 4.14Å; F599-I740 HydrophobicContact CG-CG2 4.13Å; F599-D744 HydrophobicContact CE1-CB 3.99Å; F599-D744 HydrophobicContact CZ-CB 4.12Å
600	L	93.2	Very high	91.2	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	167.1	-179.2	-67	179.8	0	0	0	112.8	N602 G603 M604 I606 I674 S677 I678	L600-N602 VanDerWaalsContact CB-OD1 3.24Å; L600-N602 WeakPolarHBondContact CB-OD1 3.46Å; L600-N602 PolarHBondContact O-N 2.92Å; L600-G603 WeakPolarHBondContact O-CA 3.44Å; L600-G603 PolarHBondContact O-N 3.45Å; L600-M604 PolarHBondContact N-O 3.01Å; L600-I606 HydrophobicContact CD1-CD1 4.1Å; L600-I606 HydrophobicContact CD1-CG1 4.49Å; L600-I606 HydrophobicContact CD1-CG2 3.45Å; L600-I606 VanDerWaalsContact CD1-CG2 3.45Å; L600-I606 HydrophobicContact CD2-CD1 3.89Å; L600-I606 HydrophobicContact CG-CD1 3.94Å; L600-I606 HydrophobicContact CG-CG1 4.24Å; L600-I606 HydrophobicContact CG-CG2 3.95Å; L600-I674 HydrophobicContact CD1-CD1 4.41Å; L600-I674 HydrophobicContact CD1-CG1 4.16Å; L600-I674 HydrophobicContact CD1-CG2 3.59Å; L600-I674 HydrophobicContact CD2-CG2 3.88Å; L600-I674 HydrophobicContact CG-CG2 4.4Å; L600-S677 CarbonylContact C-O 3.59Å; L600-S677 WeakPolarHBondContact CA-O 3.38Å; L600-S677 WeakPolarHBondContact CD2-O 3.46Å; L600-I678 HydrophobicContact CD2-CG1 4.34Å
601	S	92.5	Very high	91	Very high	24 Å²	24	20.2 Å²	20.2	17%	0.168	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.3	178	46.6	0	0	0	0	115.6	G603 S677	S601-G603 VanDerWaalsContact C-N 3.26Å; S601-S677 WeakPolarHBondContact CB-OG 3.5Å; S601-S677 PolarHBondContact N-O 2.84Å; S601-S677 PolarHBondContact OG-N 2.72Å; S601-S677 PolarHBondContact OG-O 2.83Å; S601-S677 PolarHBondContact OG-OG 3.5Å
602	N	86.8	Confident	90.8	Very high	39 Å²	39	20.8 Å²	20.8	21%	0.209	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.3	164.2	68.8	-14.6	0	0	0	112.8	E329 L600 M604	E329-N602 PolarHBondContact OE1-ND2 3.35Å; L600-N602 VanDerWaalsContact CB-OD1 3.24Å; L600-N602 WeakPolarHBondContact CB-OD1 3.46Å; L600-N602 PolarHBondContact O-N 2.92Å; N602-M604 VanDerWaalsContact C-N 3.34Å; N602-M604 WeakPolarHBondContact ND2-CG 3.27Å; N602-M604 PolarHBondContact ND2-SD 2.93Å; N602-M604 WeakPolarHBondContact OD1-CB 3.44Å; N602-M604 PolarHBondContact OD1-N 3.17Å; N602-M604 VanDerWaalsContact OD1-N 3.1Å
603	G	84.2	Confident	90.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	83.5	-4.9	-177	0	0	0	0	0	115.3	L600 S601 N743	L600-G603 WeakPolarHBondContact O-CA 3.44Å; L600-G603 PolarHBondContact O-N 3.45Å; S601-G603 VanDerWaalsContact C-N 3.26Å; G603-N743 VanDerWaalsContact C-ND2 3.31Å; G603-N743 VanDerWaalsContact O-CB 3.29Å; G603-N743 WeakPolarHBondContact O-CB 3.13Å; G603-N743 PolarHBondContact O-ND2 3.18Å
604	M	86	Confident	90.1	Very high	37 Å²	37	23.2 Å²	23.2	18%	0.182	13%	0.127	C	C	.	.			trans	-70.4	133.7	-179.1	-71.3	-175.8	73.3	0	0	112	F599 L600 N602 I606	F599-M604 WeakPolarHBondContact CA-O 3.45Å; L600-M604 PolarHBondContact N-O 3.01Å; N602-M604 VanDerWaalsContact C-N 3.34Å; N602-M604 WeakPolarHBondContact ND2-CG 3.27Å; N602-M604 PolarHBondContact ND2-SD 2.93Å; N602-M604 WeakPolarHBondContact OD1-CB 3.44Å; N602-M604 PolarHBondContact OD1-N 3.17Å; N602-M604 VanDerWaalsContact OD1-N 3.1Å; M604-I606 HydrophobicContact CB-CG2 4.28Å
605	N	89	Confident	89.6	Confident	45 Å²	45	25 Å²	25	24%	0.241	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-80.9	121.7	160.7	-171.7	-26.9	0	0	0	108.2	E597 I598 F599 T607	E597-N605 PolarHBondContact OE1-ND2 3.19Å; I598-N605 WeakPolarHBondContact O-CA 3.28Å; F599-N605 HydrophobicContact CD1-CB 3.87Å; F599-N605 HydrophobicContact CE1-CB 3.71Å; F599-N605 HydrophobicContact CG-CB 4.48Å; F599-N605 HydrophobicContact CZ-CB 4.17Å; F599-N605 VanDerWaalsContact CZ-ND2 3.32Å; F599-N605 WeakPolarHBondContact CZ-ND2 3.24Å; N605-T607 VanDerWaalsContact OD1-CB 3.22Å; N605-T607 WeakPolarHBondContact OD1-CB 3.45Å; N605-T607 PolarHBondContact OD1-N 2.99Å; N605-T607 VanDerWaalsContact OD1-N 3.17Å; N605-T607 PolarHBondContact OD1-OG1 3.45Å
606	I	87.5	Confident	88.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.			trans	-111.7	7.9	-175.5	58.4	164.2	0	0	0	113.6	I598 L600 M604 T608 L609 C610 L670 I674	I598-I606 HydrophobicContact CB-CD1 4.38Å; I598-I606 HydrophobicContact CB-CG1 3.97Å; I598-I606 HydrophobicContact CG2-CD1 3.86Å; I598-I606 HydrophobicContact CG2-CG1 3.9Å; I598-I606 WeakPolarHBondContact O-CG1 3.48Å; I598-I606 PolarHBondContact O-N 3.48Å; L600-I606 HydrophobicContact CD1-CD1 4.1Å; L600-I606 HydrophobicContact CD1-CG1 4.49Å; L600-I606 HydrophobicContact CD1-CG2 3.45Å; L600-I606 VanDerWaalsContact CD1-CG2 3.45Å; L600-I606 HydrophobicContact CD2-CD1 3.89Å; L600-I606 HydrophobicContact CG-CD1 3.94Å; L600-I606 HydrophobicContact CG-CG1 4.24Å; L600-I606 HydrophobicContact CG-CG2 3.95Å; M604-I606 HydrophobicContact CB-CG2 4.28Å; I606-T608 PolarHBondContact O-N 3.27Å; I606-L609 HydrophobicContact CB-CD1 4.48Å; I606-L609 HydrophobicContact CG2-CD1 4.47Å; I606-L609 WeakPolarHBondContact O-CA 3.32Å; I606-L609 VanDerWaalsContact O-CB 3.32Å; I606-L609 WeakPolarHBondContact O-CB 3.36Å; I606-L609 PolarHBondContact O-N 3.37Å; I606-C610 PolarHBondContact O-SG 3.38Å; I606-L670 HydrophobicContact CD1-CD2 3.66Å; I606-L670 HydrophobicContact CD1-CG 3.83Å; I606-I674 HydrophobicContact CB-CD1 4.43Å; I606-I674 HydrophobicContact CD1-CD1 3.51Å; I606-I674 HydrophobicContact CG2-CD1 4.31Å
607	T	89.4	Confident	87.7	Confident	3 Å²	3	33 Å²	33	2%	0.018	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-52.9	-54.2	-168.7	-58.8	0	0	0	0	113.1	I596 E597 I598 N605 L609 C610 I641	I596-T607 WeakPolarHBondContact O-CG2 3.3Å; E597-T607 WeakPolarHBondContact CA-OG1 3.3Å; I598-T607 PolarHBondContact N-OG1 3Å; N605-T607 VanDerWaalsContact OD1-CB 3.22Å; N605-T607 WeakPolarHBondContact OD1-CB 3.45Å; N605-T607 PolarHBondContact OD1-N 2.99Å; N605-T607 VanDerWaalsContact OD1-N 3.17Å; N605-T607 PolarHBondContact OD1-OG1 3.45Å; T607-L609 PolarHBondContact O-N 3.18Å; T607-L609 VanDerWaalsContact O-N 3.09Å; T607-C610 PolarHBondContact O-N 3.19Å; T607-I641 HydrophobicContact CG2-CB 3.81Å; T607-I641 HydrophobicContact CG2-CG2 3.94Å
608	T	85	Confident	85.9	Confident	92 Å²	92	34.8 Å²	34.8	56%	0.564	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-67	-7.9	-180	50.9	0	0	0	0	113.9	I606 I641	I606-T608 PolarHBondContact O-N 3.27Å; T608-I641 WeakPolarHBondContact CG2-O 3.22Å
609	L	82	Confident	83.7	Confident	48 Å²	48	40.5 Å²	40.5	25%	0.251	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-99.2	-7.5	-179	-43.5	-175.3	0	0	0	112.4	I324 I606 T607 P671 W673	I324-L609 HydrophobicContact CB-CD1 4.31Å; I324-L609 HydrophobicContact CD1-CD2 3.59Å; I324-L609 HydrophobicContact CG1-CD2 4.35Å; I606-L609 HydrophobicContact CB-CD1 4.48Å; I606-L609 HydrophobicContact CG2-CD1 4.47Å; I606-L609 WeakPolarHBondContact O-CA 3.32Å; I606-L609 VanDerWaalsContact O-CB 3.32Å; I606-L609 WeakPolarHBondContact O-CB 3.36Å; I606-L609 PolarHBondContact O-N 3.37Å; T607-L609 PolarHBondContact O-N 3.18Å; T607-L609 VanDerWaalsContact O-N 3.09Å; L609-P671 HydrophobicContact CB-CG 4.26Å; L609-P671 WeakPolarHBondContact O-CG 3.38Å; L609-W673 HydrophobicContact CD1-CH2 3.83Å; L609-W673 HydrophobicContact CD1-CZ2 3.99Å
610	C	85.4	Confident	81.5	Confident	10 Å²	10	47 Å²	47	7%	0.068	25%	0.247	C	C	.	.	S	Bend	trans	-92.5	149.5	-175	-61.6	0	0	0	0	112.2	I606 T607 I641 I668	I606-C610 PolarHBondContact O-SG 3.38Å; T607-C610 PolarHBondContact O-N 3.19Å; C610-I641 WeakPolarHBondContact O-CD1 3.43Å; C610-I668 HydrophobicContact CB-CG2 3.41Å; C610-I668 VanDerWaalsContact CB-CG2 3.41Å
611	H	88.2	Confident	78.8	Confident	114 Å²	114	52.9 Å²	52.9	53%	0.528	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.1	173.8	176	-82.7	0	0	0	110.5	I668 T669	H611-I668 CarbonylContact O-C 3.55Å; H611-I668 WeakPolarHBondContact O-CA 3.48Å; H611-T669 PolarHBondContact N-O 3.26Å; H611-T669 PolarHBondContact O-N 3.46Å
612	I	91.2	Very high	76.6	Confident	13 Å²	13	53.4 Å²	53.4	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.1	-174.8	-167.8	168	0	0	0	113.2	I637 L640 I641 I666 Q667 I668	I612-I637 HydrophobicContact CD1-CD1 4.05Å; I612-I637 HydrophobicContact CD1-CG1 4.12Å; I612-I637 HydrophobicContact CG1-CD1 4.24Å; I612-I637 HydrophobicContact CG1-CG1 3.9Å; I612-I637 HydrophobicContact CG2-CG1 4.39Å; I612-L640 HydrophobicContact CD1-CB 3.89Å; I612-L640 HydrophobicContact CD1-CD1 4.32Å; I612-I641 HydrophobicContact CB-CD1 4.06Å; I612-I641 HydrophobicContact CD1-CG2 3.97Å; I612-I641 HydrophobicContact CG2-CD1 3.57Å; I612-I641 HydrophobicContact CG2-CG1 3.96Å; I612-I666 HydrophobicContact CD1-CG2 3.64Å; I612-I666 HydrophobicContact CG1-CG2 3.81Å; I612-Q667 CarbonylContact C-O 3.54Å; I612-Q667 WeakPolarHBondContact CA-O 3.49Å; I612-I668 HydrophobicContact CB-CG1 4.4Å; I612-I668 HydrophobicContact CD1-CD1 4.08Å; I612-I668 HydrophobicContact CD1-CG1 3.93Å; I612-I668 HydrophobicContact CG1-CG1 3.89Å
613	T	89	Confident	74.3	Confident	44 Å²	44	55.5 Å²	55.5	27%	0.27	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.5	169.9	57.5	0	0	0	0	111.3	I666 Q667	T613-I666 WeakPolarHBondContact O-CA 3.03Å; T613-Q667 PolarHBondContact N-O 2.61Å; T613-Q667 PolarHBondContact O-N 3.18Å
614	S	89.7	Confident	72.2	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157.1	173.2	69.6	0	0	0	0	112.3	P616 F617 N618 F665	S614-P616 CarbonylContact C-O 3.54Å; S614-P616 WeakPolarHBondContact CB-O 3.37Å; S614-P616 PolarHBondContact OG-O 3.23Å; S614-F617 VanDerWaalsContact O-CD1 3.26Å; S614-F617 WeakPolarHBondContact O-CD1 3.45Å; S614-F617 PolarHBondContact O-N 2.99Å; S614-N618 PolarHBondContact OG-N 2.82Å; S614-F665 CarbonylContact C-O 3.6Å; S614-F665 VanDerWaalsContact CA-O 3.27Å; S614-F665 WeakPolarHBondContact CA-O 3.11Å
615	Y	83.4	Confident	70.1	Confident	36 Å²	36	66.3 Å²	66.3	14%	0.141	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.9	160.4	172	-90.6	0	0	0	109.1	I550 M554 R663 H664 F665	I550-Y615 HydrophobicContact CB-CE2 4.37Å; I550-Y615 HydrophobicContact CD1-CE2 4.23Å; I550-Y615 HydrophobicContact CG1-CE2 4.04Å; I550-Y615 HydrophobicContact CG2-CE2 3.53Å; I550-Y615 WeakPolarHBondContact CG2-OH 3.49Å; M554-Y615 HydrophobicContact CE-CE1 4.42Å; M554-Y615 HydrophobicContact SD-CD1 4.35Å; M554-Y615 HydrophobicContact SD-CE1 3.75Å; Y615-R663 WeakPolarHBondContact CD1-O 3.32Å; Y615-R663 VanDerWaalsContact CE1-O 3.27Å; Y615-R663 WeakPolarHBondContact CE1-O 3.43Å; Y615-H664 CarbonylContact O-C 3.54Å; Y615-H664 WeakPolarHBondContact O-CA 3.38Å; Y615-F665 AromaticContact CD1-CD2 3.64Å; Y615-F665 HydrophobicContact CD1-CD2 3.64Å; Y615-F665 HydrophobicContact CD1-CE2 4.14Å; Y615-F665 HydrophobicContact CG-CD2 4.16Å; Y615-F665 PolarHBondContact N-O 3.37Å; Y615-F665 PolarHBondContact O-N 3.2Å
616	P	82.3	Confident	67.4	Low	38 Å²	38	68.1 Å²	68.1	25%	0.247	36%	0.359	C	S	.	.	S	Bend	cis	-53.7	145.6	-8.1	25.5	-34.6	0	0	0	111.1	S614 I656 H664	S614-P616 CarbonylContact C-O 3.54Å; S614-P616 WeakPolarHBondContact CB-O 3.37Å; S614-P616 PolarHBondContact OG-O 3.23Å; P616-I656 HydrophobicContact CG-CD1 4.18Å; P616-H664 WeakPolarHBondContact CD-ND1 3.22Å
617	F	70.2	Confident	65	Low	132 Å²	132	75 Å²	75	58%	0.579	40%	0.396	S	S	*	.			trans	-57.6	144.6	170.3	-63.5	-75.2	0	0	0	108	S614 I619	S614-F617 VanDerWaalsContact O-CD1 3.26Å; S614-F617 WeakPolarHBondContact O-CD1 3.45Å; S614-F617 PolarHBondContact O-N 2.99Å; F617-I619 PolarHBondContact O-N 3.34Å
618	N	59.8	Low	62.3	Low	44 Å²	44	82.6 Å²	82.6	24%	0.235	44%	0.437	C	S	.	.			trans	-51.6	113.1	169.4	-95.2	33.1	0	0	0	108.6	S614 N635 W654 I656	S614-N618 PolarHBondContact OG-N 2.82Å; N618-N635 PolarHBondContact ND2-O 2.78Å; N618-W654 PolarHBondContact OD1-NE1 3.06Å; N618-W654 VanDerWaalsContact OD1-NE1 3.08Å; N618-I656 WeakPolarHBondContact OD1-CG2 3.47Å
619	I	49	Very low	60.1	Low	121 Å²	121	84.6 Å²	84.6	62%	0.621	44%	0.444	S	S	*	.			trans	-92.5	118.4	162.2	-52.6	176.7	0	0	0	103.7	F617 N621	F617-I619 PolarHBondContact O-N 3.34Å; I619-N621 HydrophobicContact CG2-CB 3.95Å; I619-N621 PolarHBondContact O-N 3.5Å
620	D	46.9	Very low	57.8	Low	136 Å²	136	89.9 Å²	89.9	73%	0.727	47%	0.473	S	S	*	.	S	Bend	trans	-66.5	1.7	-173.6	-52.1	-52.5	0	0	0	113.6	L622	D620-L622 PolarHBondContact O-N 3.32Å; D620-L622 VanDerWaalsContact O-N 3.09Å
621	N	37.5	Very low	55.9	Low	127 Å²	127	94 Å²	94	68%	0.679	49%	0.49	S	S	*	.			trans	-83	49.4	177.3	-58.1	-7.2	0	0	0	112.4	I619 S623	I619-N621 HydrophobicContact CG2-CB 3.95Å; I619-N621 PolarHBondContact O-N 3.5Å; N621-S623 PolarHBondContact O-N 3.27Å
622	L	46.7	Very low	53.9	Low	35 Å²	35	95.9 Å²	95.9	18%	0.183	50%	0.504	C	S	.	.			trans	-80.8	41.7	164.6	-131.7	77.9	0	0	0	110.9	Y590 D620 D624 N635 L655 P657	Y590-L622 HydrophobicContact CE1-CD1 4.22Å; Y590-L622 HydrophobicContact CE1-CD2 4.29Å; Y590-L622 HydrophobicContact CE1-CG 4.31Å; D620-L622 PolarHBondContact O-N 3.32Å; D620-L622 VanDerWaalsContact O-N 3.09Å; L622-D624 PolarHBondContact O-N 2.91Å; L622-D624 VanDerWaalsContact O-N 3.11Å; L622-N635 WeakPolarHBondContact CD2-ND2 3.48Å; L622-L655 HydrophobicContact CD2-CD2 4.34Å; L622-P657 HydrophobicContact CD1-CG 3.79Å
623	S	37.8	Very low	52.2	Low	84 Å²	84	99.9 Å²	99.9	59%	0.587	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.4	-169.6	47.6	0	0	0	0	114.8	N621 Y625	N621-S623 PolarHBondContact O-N 3.27Å; S623-Y625 PolarHBondContact O-N 3.44Å
624	D	40.7	Very low	50.7	Low	134 Å²	134	98.9 Å²	98.9	72%	0.717	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-87.2	8.6	-168.2	-63	16.3	0	0	0	112.4	L622	L622-D624 PolarHBondContact O-N 2.91Å; L622-D624 VanDerWaalsContact O-N 3.11Å
625	Y	41.7	Very low	49.7	Very low	129 Å²	129	99.8 Å²	99.8	51%	0.506	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-143.6	29.8	-171	-121.1	-70.5	0	0	0	116.6	Y590 S623	Y590-Y625 HydrophobicContact CE2-CD2 4.33Å; Y590-Y625 HydrophobicContact CE2-CE2 4.44Å; S623-Y625 PolarHBondContact O-N 3.44Å
626	T	32.7	Very low	49.6	Very low	83 Å²	83	102 Å²	102	51%	0.509	53%	0.533	S	S	.	.			trans	-134.8	125.8	167.7	51.2	0	0	0	0	112.5
627	D	36.2	Very low	50.1	Low	145 Å²	145	101.5 Å²	101.5	78%	0.775	53%	0.528	S	S	*	.			trans	-57.8	160.6	153.6	-59.2	-75.2	0	0	0	110.2	D629	D627-D629 PolarHBondContact O-N 2.82Å
628	N	32.6	Very low	51	Low	163 Å²	163	98.1 Å²	98.1	87%	0.872	52%	0.518	S	S	*	.	S	Bend	trans	-69.5	30.7	-155.4	-55.5	-78.5	0	0	0	118.3
629	D	39	Very low	52.6	Low	133 Å²	133	96.6 Å²	96.6	71%	0.711	51%	0.51	S	S	*	.			trans	-99	128.6	179.9	-69.2	-40.1	0	0	0	112.8	D627 H631	D627-D629 PolarHBondContact O-N 2.82Å; D629-H631 PolarHBondContact O-N 3.48Å
630	N	34.8	Very low	54.8	Low	160 Å²	160	90.8 Å²	90.8	86%	0.856	48%	0.481	S	S	*	.			trans	-67.8	84.9	-169.3	-61.1	-78.5	0	0	0	114.4
631	H	43.7	Very low	56.9	Low	95 Å²	95	85.3 Å²	85.3	44%	0.44	45%	0.451	S	S	.	.			trans	-135.3	72.3	178.5	-82.3	-6.1	0	0	0	113.5	D629 D633 K651	D629-H631 PolarHBondContact O-N 3.48Å; H631-D633 PolarHBondContact O-N 2.93Å; H631-K651 WeakPolarHBondContact NE2-CE 3.2Å; H631-K651 PolarHBondContact NE2-NZ 3.1Å
632	N	47.5	Very low	59.4	Low	154 Å²	154	81.7 Å²	81.7	82%	0.824	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.9	175.9	-87.5	17.9	0	0	0	115.2
633	D	55.2	Low	61.3	Low	97 Å²	97	81.8 Å²	81.8	52%	0.519	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.4	-175.3	-69.1	-69.5	0	0	0	115.1	H631 R636	H631-D633 PolarHBondContact O-N 2.93Å; D633-R636 WeakPolarHBondContact O-CD 3.48Å; D633-R636 WeakPolarHBondContact O-CG 3.49Å; D633-R636 WeakPolarHBondContact OD1-CD 3.39Å; D633-R636 IonicContact OD1-CZ 2.75Å; D633-R636 IonicContact OD1-NE 3.62Å; D633-R636 IonicContact OD1-NH1 2.7Å; D633-R636 PolarHBondContact OD1-NH1 3.46Å
634	S	56.9	Low	63.8	Low	23 Å²	23	81.9 Å²	81.9	16%	0.161	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	139.8	174.5	-156	0	0	0	0	110.3	K650	S634-K650 PolarHBondContact OG-O 2.97Å
635	N	69.7	Low	66.2	Low	26 Å²	26	75.8 Å²	75.8	14%	0.139	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	18	177.5	-39.8	-45.6	0	0	0	117	N618 L622 M653 W654 L655	N618-N635 PolarHBondContact ND2-O 2.78Å; L622-N635 WeakPolarHBondContact CD2-ND2 3.48Å; N635-M653 WeakPolarHBondContact CA-O 3.47Å; N635-W654 VanDerWaalsContact O-CD1 3.28Å; N635-L655 HydrophobicContact CB-CB 4.28Å
636	R	81.8	Confident	68.5	Low	84 Å²	84	74.2 Å²	74.2	32%	0.317	40%	0.395	S	S	.	.			trans	-65.3	140	176.1	-64.2	170.7	71.5	109.8	15.3	111.3	H314 D633 T638 N639	H314-R636 PolarHBondContact NE2-NH2 3.22Å; D633-R636 WeakPolarHBondContact O-CD 3.48Å; D633-R636 WeakPolarHBondContact O-CG 3.49Å; D633-R636 WeakPolarHBondContact OD1-CD 3.39Å; D633-R636 IonicContact OD1-CZ 2.75Å; D633-R636 IonicContact OD1-NE 3.62Å; D633-R636 IonicContact OD1-NH1 2.7Å; D633-R636 PolarHBondContact OD1-NH1 3.46Å; R636-T638 PolarHBondContact O-N 3.44Å; R636-N639 PolarHBondContact N-ND2 3.08Å; R636-N639 WeakPolarHBondContact O-CB 3.39Å; R636-N639 PolarHBondContact O-N 3.22Å; R636-N639 PolarHBondContact O-ND2 3.42Å; R636-N639 PolarHBondContact O-OD1 3.13Å
637	I	91.3	Very high	71.2	Confident	26 Å²	26	71.2 Å²	71.2	13%	0.133	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-61	-28.5	179.2	-175.7	58.8	0	0	0	113.3	I612 N639 L640 W654 I666	I612-I637 HydrophobicContact CD1-CD1 4.05Å; I612-I637 HydrophobicContact CD1-CG1 4.12Å; I612-I637 HydrophobicContact CG1-CD1 4.24Å; I612-I637 HydrophobicContact CG1-CG1 3.9Å; I612-I637 HydrophobicContact CG2-CG1 4.39Å; I637-N639 PolarHBondContact O-N 3.29Å; I637-L640 HydrophobicContact CD1-CD1 3.79Å; I637-L640 HydrophobicContact CD1-CG 4.39Å; I637-L640 PolarHBondContact O-N 3.18Å; I637-W654 HydrophobicContact CD1-CD2 4.04Å; I637-W654 HydrophobicContact CD1-CG 4.14Å; I637-W654 HydrophobicContact CD1-CZ2 4.12Å; I637-I666 HydrophobicContact CD1-CG1 4.27Å; I637-I666 HydrophobicContact CD1-CG2 4.24Å
638	T	90.6	Very high	73.8	Confident	61 Å²	61	66.2 Å²	66.2	37%	0.374	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-60.2	-24.3	174.1	46.2	0	0	0	0	113.7	R636 L640 I641 D642	R636-T638 PolarHBondContact O-N 3.44Å; T638-L640 PolarHBondContact O-N 3.23Å; T638-I641 VanDerWaalsContact O-CG1 3.29Å; T638-I641 WeakPolarHBondContact O-CG1 3.32Å; T638-I641 PolarHBondContact O-N 3.29Å; T638-I641 VanDerWaalsContact O-N 3.1Å; T638-D642 PolarHBondContact O-N 3.08Å
639	N	92.7	Very high	76.6	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.064	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.1	-27.4	179.6	-60.8	-0.4	0	0	0	111.4	R636 I637 I641 D642 K651 M653	R636-N639 PolarHBondContact N-ND2 3.08Å; R636-N639 WeakPolarHBondContact O-CB 3.39Å; R636-N639 PolarHBondContact O-N 3.22Å; R636-N639 PolarHBondContact O-ND2 3.42Å; R636-N639 PolarHBondContact O-OD1 3.13Å; I637-N639 PolarHBondContact O-N 3.29Å; N639-I641 PolarHBondContact O-N 3.1Å; N639-I641 VanDerWaalsContact O-N 3.1Å; N639-D642 PolarHBondContact O-N 3Å; N639-K651 PolarHBondContact ND2-O 3.25Å; N639-M653 PolarHBondContact ND2-O 3.43Å
640	L	94.9	Very high	79	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-67.3	-10.8	178.6	-64.7	-173	0	0	0	114.7	L593 I596 I612 I637 T638 W654 I666	L593-L640 HydrophobicContact CB-CD1 4.43Å; L593-L640 HydrophobicContact CB-CD2 3.54Å; L593-L640 WeakPolarHBondContact O-CD2 3.45Å; I596-L640 HydrophobicContact CD1-CD1 4.22Å; I596-L640 PolarHBondContact N-O 3.43Å; I612-L640 HydrophobicContact CD1-CB 3.89Å; I612-L640 HydrophobicContact CD1-CD1 4.32Å; I637-L640 HydrophobicContact CD1-CD1 3.79Å; I637-L640 HydrophobicContact CD1-CG 4.39Å; I637-L640 PolarHBondContact O-N 3.18Å; T638-L640 PolarHBondContact O-N 3.23Å; L640-W654 HydrophobicContact CD1-CB 4.26Å; L640-W654 HydrophobicContact CD1-CD2 4.06Å; L640-W654 HydrophobicContact CD1-CE3 3.89Å; L640-W654 HydrophobicContact CD1-CG 4.27Å; L640-W654 HydrophobicContact CD2-CB 3.71Å; L640-W654 HydrophobicContact CG-CB 3.75Å; L640-W654 HydrophobicContact CG-CG 4.23Å; L640-I666 HydrophobicContact CD1-CD1 3.6Å; L640-I666 HydrophobicContact CD1-CG1 4.22Å; L640-I666 HydrophobicContact CD1-CG2 4.39Å
641	I	92.1	Very high	81.6	Confident	20 Å²	20	55.5 Å²	55.5	10%	0.103	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-130.7	13.6	-178.4	62.3	166.3	0	0	0	113.1	T607 T608 C610 I612 T638 N639 G643 I668	T607-I641 HydrophobicContact CG2-CB 3.81Å; T607-I641 HydrophobicContact CG2-CG2 3.94Å; T608-I641 WeakPolarHBondContact CG2-O 3.22Å; C610-I641 WeakPolarHBondContact O-CD1 3.43Å; I612-I641 HydrophobicContact CB-CD1 4.06Å; I612-I641 HydrophobicContact CD1-CG2 3.97Å; I612-I641 HydrophobicContact CG2-CD1 3.57Å; I612-I641 HydrophobicContact CG2-CG1 3.96Å; T638-I641 VanDerWaalsContact O-CG1 3.29Å; T638-I641 WeakPolarHBondContact O-CG1 3.32Å; T638-I641 PolarHBondContact O-N 3.29Å; T638-I641 VanDerWaalsContact O-N 3.1Å; N639-I641 PolarHBondContact O-N 3.1Å; N639-I641 VanDerWaalsContact O-N 3.1Å; I641-G643 VanDerWaalsContact C-N 3.28Å; I641-G643 PolarHBondContact O-N 3.02Å; I641-I668 HydrophobicContact CG2-CD1 4.36Å
642	D	89.3	Confident	83.8	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.273	28%	0.279	S	S	.	.	S	Bend	trans	-75.8	-15.7	-179.3	75.5	4.3	0	0	0	113.6	T638 N639 I644 H652	T638-D642 PolarHBondContact O-N 3.08Å; N639-D642 PolarHBondContact O-N 3Å; D642-I644 WeakPolarHBondContact OD1-CB 3.38Å; D642-I644 PolarHBondContact OD1-N 3.42Å; D642-H652 IonicContact OD2-CE1 3.73Å; D642-H652 IonicContact OD2-CG 3.73Å; D642-H652 IonicContact OD2-ND1 2.77Å; D642-H652 PolarHBondContact OD2-ND1 3.24Å
643	G	86.9	Confident	86.1	Confident	38 Å²	38	46.1 Å²	46.1	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	91	-7	179.2	0	0	0	0	0	115	I641 N645	I641-G643 VanDerWaalsContact C-N 3.28Å; I641-G643 PolarHBondContact O-N 3.02Å; G643-N645 PolarHBondContact O-N 2.79Å; G643-N645 PolarHBondContact O-ND2 3.49Å
644	I	89.2	Confident	87.9	Confident	85 Å²	85	41.5 Å²	41.5	44%	0.436	22%	0.215	S	C	.	.			trans	-89	51.8	-175	-57.9	169.9	0	0	0	109.2	D642 Y646 T647 H652	D642-I644 WeakPolarHBondContact OD1-CB 3.38Å; D642-I644 PolarHBondContact OD1-N 3.42Å; I644-Y646 PolarHBondContact O-N 3.1Å; I644-T647 WeakPolarHBondContact O-CG2 3.05Å; I644-H652 HydrophobicContact CB-CB 4.24Å; I644-H652 WeakPolarHBondContact CD1-CE1 3.47Å; I644-H652 HydrophobicContact CG2-CB 4.06Å
645	N	91.7	Very high	89.7	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.032	21%	0.211	C	C	.	.			trans	-74.7	-25.8	-166.1	-65.8	-59.2	0	0	0	115	T594 G595 E597 G643 T647 W684 Y724	T594-N645 WeakPolarHBondContact CG2-O 3.27Å; G595-N645 WeakPolarHBondContact CA-OD1 3.49Å; E597-N645 VanDerWaalsContact CD-ND2 3.32Å; E597-N645 VanDerWaalsContact CG-ND2 3.27Å; E597-N645 WeakPolarHBondContact CG-ND2 3.43Å; G643-N645 PolarHBondContact O-N 2.79Å; G643-N645 PolarHBondContact O-ND2 3.49Å; N645-T647 PolarHBondContact O-N 2.83Å; N645-W684 HydrophobicContact CB-CD2 3.79Å; N645-W684 VanDerWaalsContact CB-CE2 3.49Å; N645-W684 HydrophobicContact CB-CG 3.77Å; N645-W684 HydrophobicContact CB-CZ2 4.04Å; N645-Y724 PolarHBondContact O-OH 3.36Å
646	Y	89	Confident	90.7	Very high	96 Å²	96	40.2 Å²	40.2	38%	0.376	21%	0.206	S	C	.	.	S	Bend	trans	-98	73.3	-172.3	-167.9	-112.3	0	0	0	110.9	I644 W684 I721 E722 L746	I644-Y646 PolarHBondContact O-N 3.1Å; Y646-W684 AromaticContact CD2-CH2 3.87Å; Y646-W684 HydrophobicContact CD2-CH2 3.87Å; Y646-W684 AromaticContact CD2-CZ3 3.8Å; Y646-W684 HydrophobicContact CD2-CZ3 3.8Å; Y646-I721 HydrophobicContact CD1-CG2 3.87Å; Y646-I721 HydrophobicContact CE1-CG2 3.21Å; Y646-I721 HydrophobicContact CE2-CG2 4.28Å; Y646-I721 VanDerWaalsContact CZ-CG2 3.46Å; Y646-I721 PolarHBondContact OH-O 3.5Å; Y646-E722 WeakPolarHBondContact CE2-O 3.17Å; Y646-L746 HydrophobicContact CD2-CD1 3.87Å; Y646-L746 HydrophobicContact CE2-CD1 4.25Å; Y646-L746 HydrophobicContact CG-CD1 4.14Å
647	T	90.6	Very high	91.2	Very high	20 Å²	20	39.5 Å²	39.5	12%	0.123	21%	0.212	C	C	.	.			trans	-148.2	166.9	-162.5	-171.3	0	0	0	0	113.9	T594 I644 N645 D649 H652 M653 N687 I721 Y724	T594-T647 HydrophobicContact CG2-CG2 3.55Å; I644-T647 WeakPolarHBondContact O-CG2 3.05Å; N645-T647 PolarHBondContact O-N 2.83Å; T647-D649 PolarHBondContact OG1-N 2.81Å; T647-H652 HydrophobicContact CG2-CB 4.08Å; T647-M653 HydrophobicContact CG2-CE 3.97Å; T647-N687 PolarHBondContact O-ND2 2.67Å; T647-I721 VanDerWaalsContact C-CD1 3.43Å; T647-Y724 PolarHBondContact N-OH 2.95Å; T647-Y724 PolarHBondContact O-OH 3.16Å
648	C	91.1	Very high	91.1	Very high	40 Å²	40	38.4 Å²	38.4	27%	0.27	21%	0.206	S	C	.	.			trans	-121.7	0.2	164.5	-69	0	0	0	0	112.4	N687 Q688 I721	C648-N687 PolarHBondContact SG-ND2 3.17Å; C648-Q688 WeakPolarHBondContact O-CA 3.48Å; C648-Q688 WeakPolarHBondContact O-CG 3.4Å; C648-I721 HydrophobicContact CB-CD1 4.3Å; C648-I721 WeakPolarHBondContact SG-CD1 3.21Å
649	D	89.7	Confident	91.1	Very high	66 Å²	66	40 Å²	40	35%	0.353	21%	0.212	S	C	.	.			trans	-78.9	127.6	-177.7	-170.2	-8.2	0	0	0	111.6	T647 K651 H652 M653	T647-D649 PolarHBondContact OG1-N 2.81Å; D649-K651 PolarHBondContact O-N 2.82Å; D649-K651 VanDerWaalsContact O-N 3.16Å; D649-K651 WeakPolarHBondContact OD1-CG 3.29Å; D649-K651 PolarHBondContact OD1-N 2.82Å; D649-H652 PolarHBondContact O-N 2.88Å; D649-H652 VanDerWaalsContact O-N 3.13Å; D649-M653 WeakPolarHBondContact O-CG 3.39Å
650	K	90.8	Very high	90.8	Very high	67 Å²	67	45.6 Å²	45.6	29%	0.291	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57.8	-23.9	174.2	64.8	170.8	-172.1	171.1	0	113.8	S634 H652 M653 Q688	S634-K650 PolarHBondContact OG-O 2.97Å; K650-H652 PolarHBondContact O-N 3.14Å; K650-M653 PolarHBondContact O-N 3.45Å; K650-Q688 HydrophobicContact CB-CG 4.25Å
651	K	89.4	Confident	90.2	Very high	99 Å²	99	48.3 Å²	48.3	43%	0.43	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-63.7	-30.1	177.6	-67.2	179.2	-179.5	-179.6	0	112.4	H631 N639 D649	H631-K651 WeakPolarHBondContact NE2-CE 3.2Å; H631-K651 PolarHBondContact NE2-NZ 3.1Å; N639-K651 PolarHBondContact ND2-O 3.25Å; D649-K651 PolarHBondContact O-N 2.82Å; D649-K651 VanDerWaalsContact O-N 3.16Å; D649-K651 WeakPolarHBondContact OD1-CG 3.29Å; D649-K651 PolarHBondContact OD1-N 2.82Å
652	H	90.4	Very high	90	Very high	52 Å²	52	51.3 Å²	51.3	24%	0.241	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-109.1	35.4	179.9	-61.9	-70.2	0	0	0	111.5	D642 I644 T647 D649 K650	D642-H652 IonicContact OD2-CE1 3.73Å; D642-H652 IonicContact OD2-CG 3.73Å; D642-H652 IonicContact OD2-ND1 2.77Å; D642-H652 PolarHBondContact OD2-ND1 3.24Å; I644-H652 HydrophobicContact CB-CB 4.24Å; I644-H652 WeakPolarHBondContact CD1-CE1 3.47Å; I644-H652 HydrophobicContact CG2-CB 4.06Å; T647-H652 HydrophobicContact CG2-CB 4.08Å; D649-H652 PolarHBondContact O-N 2.88Å; D649-H652 VanDerWaalsContact O-N 3.13Å; K650-H652 PolarHBondContact O-N 3.14Å
653	M	93.8	Very high	90	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.			trans	-136.2	160.2	175.6	-63	-174.2	-177	0	0	110.7	T594 N635 N639 T647 D649 K650 Y686 N687 Q688	T594-M653 HydrophobicContact CG2-CE 3.98Å; T594-M653 HydrophobicContact CG2-CG 4.03Å; N635-M653 WeakPolarHBondContact CA-O 3.47Å; N639-M653 PolarHBondContact ND2-O 3.43Å; T647-M653 HydrophobicContact CG2-CE 3.97Å; D649-M653 WeakPolarHBondContact O-CG 3.39Å; K650-M653 PolarHBondContact O-N 3.45Å; M653-Y686 HydrophobicContact CB-CD2 4.1Å; M653-Y686 HydrophobicContact CB-CE2 3.62Å; M653-Y686 HydrophobicContact CG-CE2 4.32Å; M653-Y686 HydrophobicContact SD-CD2 4.1Å; M653-Y686 HydrophobicContact SD-CE1 4.34Å; M653-Y686 HydrophobicContact SD-CE2 3.94Å; M653-Y686 HydrophobicContact SD-CG 4.39Å; M653-N687 HydrophobicContact CE-CB 4.03Å; M653-Q688 HydrophobicContact CE-CB 4.43Å; M653-Q688 HydrophobicContact SD-CB 3.76Å; M653-Q688 HydrophobicContact SD-CG 4.44Å; M653-Q688 PolarHBondContact SD-N 3.07Å
654	W	94.7	Very high	90.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.5	173.7	171.7	76.9	0	0	0	110	I581 G592 L593 N618 N635 I637 L640 I656 I666 Y686	I581-W654 HydrophobicContact CD1-CH2 4.05Å; I581-W654 HydrophobicContact CD1-CZ3 3.97Å; G592-W654 CarbonylContact C-O 3.56Å; G592-W654 WeakPolarHBondContact CA-O 3.35Å; L593-W654 HydrophobicContact CB-CE3 4.46Å; L593-W654 PolarHBondContact N-O 2.85Å; L593-W654 VanDerWaalsContact N-O 3.07Å; L593-W654 PolarHBondContact O-N 2.81Å; N618-W654 PolarHBondContact OD1-NE1 3.06Å; N618-W654 VanDerWaalsContact OD1-NE1 3.08Å; N635-W654 VanDerWaalsContact O-CD1 3.28Å; I637-W654 HydrophobicContact CD1-CD2 4.04Å; I637-W654 HydrophobicContact CD1-CG 4.14Å; I637-W654 HydrophobicContact CD1-CZ2 4.12Å; L640-W654 HydrophobicContact CD1-CB 4.26Å; L640-W654 HydrophobicContact CD1-CD2 4.06Å; L640-W654 HydrophobicContact CD1-CE3 3.89Å; L640-W654 HydrophobicContact CD1-CG 4.27Å; L640-W654 HydrophobicContact CD2-CB 3.71Å; L640-W654 HydrophobicContact CG-CB 3.75Å; L640-W654 HydrophobicContact CG-CG 4.23Å; W654-I656 HydrophobicContact CH2-CD1 3.6Å; W654-I656 HydrophobicContact CH2-CG1 3.69Å; W654-I656 HydrophobicContact CH2-CG2 4.48Å; W654-I656 HydrophobicContact CZ2-CB 4.19Å; W654-I656 HydrophobicContact CZ2-CD1 3.54Å; W654-I656 HydrophobicContact CZ2-CG1 3.59Å; W654-I656 HydrophobicContact CZ2-CG2 3.55Å; W654-I656 HydrophobicContact CZ3-CG1 4.39Å; W654-I666 HydrophobicContact CE3-CD1 4.29Å; W654-I666 HydrophobicContact CH2-CD1 3.97Å; W654-I666 HydrophobicContact CH2-CG1 3.8Å; W654-I666 HydrophobicContact CZ2-CG1 4.3Å; W654-I666 HydrophobicContact CZ3-CD1 3.7Å; W654-I666 HydrophobicContact CZ3-CG1 4.06Å; W654-Y686 WeakPolarHBondContact O-CD2 2.93Å; W654-Y686 WeakPolarHBondContact O-CE2 3.39Å
655	L	93.8	Very high	90.5	Very high	16 Å²	16	45 Å²	45	8%	0.084	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	126.8	-177.8	-171.7	73.9	0	0	0	109.3	Y590 V591 L622 N635 Y686 Y695	Y590-L655 HydrophobicContact CD1-CD2 4.46Å; Y590-L655 HydrophobicContact CD1-CG 4.41Å; V591-L655 WeakPolarHBondContact O-CA 3.23Å; L622-L655 HydrophobicContact CD2-CD2 4.34Å; N635-L655 HydrophobicContact CB-CB 4.28Å; L655-Y686 HydrophobicContact CB-CE2 3.94Å; L655-Y686 HydrophobicContact CD1-CD2 4.35Å; L655-Y686 HydrophobicContact CD1-CE1 4.47Å; L655-Y686 HydrophobicContact CD1-CE2 3.96Å; L655-Y686 HydrophobicContact CG-CE2 4.44Å; L655-Y695 HydrophobicContact CD1-CD2 3.72Å; L655-Y695 HydrophobicContact CD1-CG 4.33Å; L655-Y695 HydrophobicContact CD2-CD2 4.24Å; L655-Y695 HydrophobicContact CD2-CE2 4.45Å
656	I	91.4	Very high	90.7	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.3	177.4	57.5	158.7	0	0	0	111.6	Y590 V591 P616 N618 W654 F658	Y590-I656 VanDerWaalsContact CA-O 3.28Å; Y590-I656 WeakPolarHBondContact CA-O 3.39Å; V591-I656 HydrophobicContact CG1-CD1 4.19Å; V591-I656 HydrophobicContact CG1-CG1 3.85Å; V591-I656 PolarHBondContact N-O 3.45Å; V591-I656 PolarHBondContact O-N 2.87Å; P616-I656 HydrophobicContact CG-CD1 4.18Å; N618-I656 WeakPolarHBondContact OD1-CG2 3.47Å; W654-I656 HydrophobicContact CH2-CD1 3.6Å; W654-I656 HydrophobicContact CH2-CG1 3.69Å; W654-I656 HydrophobicContact CH2-CG2 4.48Å; W654-I656 HydrophobicContact CZ2-CB 4.19Å; W654-I656 HydrophobicContact CZ2-CD1 3.54Å; W654-I656 HydrophobicContact CZ2-CG1 3.59Å; W654-I656 HydrophobicContact CZ2-CG2 3.55Å; W654-I656 HydrophobicContact CZ3-CG1 4.39Å; I656-F658 PolarHBondContact O-N 2.88Å
657	P	91	Very high	90.9	Very high	69 Å²	69	42.1 Å²	42.1	45%	0.448	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135.6	167.6	-19.2	33.3	0	0	0	110.6	N589 L622 H664	N589-P657 CarbonylContact O-C 3.53Å; N589-P657 WeakPolarHBondContact O-CA 3.26Å; L622-P657 HydrophobicContact CD1-CG 3.79Å; P657-H664 PolarHBondContact O-CE1 2.97Å; P657-H664 VanDerWaalsContact O-CE1 3.29Å
658	F	90.9	Very high	91.2	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	23%	0.225	C	C	.	.			trans	-123.3	142.4	-179.8	-179.5	-101.1	0	0	0	110.8	I581 T584 L588 N589 Y590 V591 I656 L660 H664	I581-F658 HydrophobicContact CG2-CE2 4.08Å; T584-F658 HydrophobicContact CG2-CD1 3.66Å; T584-F658 HydrophobicContact CG2-CD2 4.48Å; T584-F658 HydrophobicContact CG2-CE1 3.79Å; T584-F658 HydrophobicContact CG2-CG 4.04Å; T584-F658 HydrophobicContact CG2-CZ 4.26Å; L588-F658 VanDerWaalsContact O-O 3.08Å; N589-F658 CarbonylContact C-O 3.54Å; N589-F658 WeakPolarHBondContact CA-O 3.49Å; N589-F658 PolarHBondContact O-N 2.77Å; Y590-F658 VanDerWaalsContact C-CB 3.46Å; V591-F658 HydrophobicContact CB-CB 3.85Å; V591-F658 HydrophobicContact CB-CD2 3.9Å; V591-F658 HydrophobicContact CB-CG 3.96Å; V591-F658 HydrophobicContact CG1-CB 3.91Å; V591-F658 HydrophobicContact CG1-CD2 3.67Å; V591-F658 HydrophobicContact CG1-CG 4.1Å; I656-F658 PolarHBondContact O-N 2.88Å; F658-L660 HydrophobicContact CE1-CB 4.14Å; F658-L660 HydrophobicContact CE1-CD1 4.27Å; F658-L660 HydrophobicContact CZ-CD1 4.26Å; F658-H664 HydrophobicContact CD2-CB 4.48Å; F658-H664 AromaticContact CD2-CD2 3.5Å; F658-H664 AromaticContact CD2-CG 3.78Å; F658-H664 AromaticContact CD2-NE2 3.73Å; F658-H664 AromaticContact CE2-CD2 3.6Å
659	N	89.8	Confident	91.2	Very high	94 Å²	94	41 Å²	41	50%	0.503	22%	0.223	S	C	.	.			trans	-129.7	130.9	170	-69.1	-33.9	0	0	0	107.8	G661 D662 H664	N659-G661 PolarHBondContact O-N 2.86Å; N659-D662 HydrophobicContact CB-CB 4.12Å; N659-D662 WeakPolarHBondContact CB-OD2 3.3Å; N659-D662 PolarHBondContact ND2-OD2 2.8Å; N659-D662 PolarHBondContact O-N 3.4Å; N659-H664 PolarHBondContact N-NE2 2.9Å
660	L	86.9	Confident	91.2	Very high	130 Å²	130	38 Å²	38	68%	0.681	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	116.4	177	-174.7	68.9	0	0	0	110.8	F658	F658-L660 HydrophobicContact CE1-CB 4.14Å; F658-L660 HydrophobicContact CE1-CD1 4.27Å; F658-L660 HydrophobicContact CZ-CD1 4.26Å
661	G	82.5	Confident	90.7	Very high	57 Å²	57	36 Å²	36	59%	0.588	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	113.9	-26.8	179.5	0	0	0	0	0	113.6	N659	N659-G661 PolarHBondContact O-N 2.86Å
662	D	87.9	Confident	90.2	Very high	84 Å²	84	36.7 Å²	36.7	45%	0.449	20%	0.204	S	C	.	.	S	Bend	trans	-67.6	161.7	169.9	-73.3	-15.5	0	0	0	110.8	N659	N659-D662 HydrophobicContact CB-CB 4.12Å; N659-D662 WeakPolarHBondContact CB-OD2 3.3Å; N659-D662 PolarHBondContact ND2-OD2 2.8Å; N659-D662 PolarHBondContact O-N 3.4Å
663	R	89.2	Confident	89.5	Confident	33 Å²	33	36 Å²	36	13%	0.125	20%	0.199	C	C	.	.			trans	-89.7	127.3	172.3	-57.5	-59.9	-71	-84	14.9	109.6	M554 P558 D580 Y615 F665	M554-R663 HydrophobicContact CE-CB 4.02Å; M554-R663 HydrophobicContact CE-CG 3.8Å; M554-R663 HydrophobicContact SD-CB 4.25Å; M554-R663 HydrophobicContact SD-CG 4.39Å; P558-R663 PolarHBondContact O-NH1 2.58Å; P558-R663 PolarHBondContact O-NH2 2.83Å; D580-R663 VanDerWaalsContact CG-NH2 3.26Å; D580-R663 IonicContact OD1-CZ 2.68Å; D580-R663 IonicContact OD1-NE 2.73Å; D580-R663 PolarHBondContact OD1-NE 3.48Å; D580-R663 IonicContact OD1-NH2 2.84Å; D580-R663 IonicContact OD2-CZ 2.7Å; D580-R663 IonicContact OD2-NE 2.81Å; D580-R663 PolarHBondContact OD2-NE 3.17Å; D580-R663 IonicContact OD2-NH2 3.24Å; D580-R663 PolarHBondContact OD2-NH2 3.41Å; Y615-R663 WeakPolarHBondContact CD1-O 3.32Å; Y615-R663 VanDerWaalsContact CE1-O 3.27Å; Y615-R663 WeakPolarHBondContact CE1-O 3.43Å; R663-F665 HydrophobicContact CB-CD2 4.3Å; R663-F665 HydrophobicContact CB-CE1 4.4Å; R663-F665 HydrophobicContact CB-CE2 3.61Å; R663-F665 HydrophobicContact CB-CZ 3.68Å; R663-F665 HydrophobicContact CG-CE2 4.3Å; R663-F665 HydrophobicContact CG-CZ 4.02Å; R663-F665 VanDerWaalsContact CZ-CZ 3.47Å
664	H	91.8	Very high	88.7	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.6	176.8	-69.1	-89.2	0	0	0	106.9	I581 Y615 P616 P657 F658 N659	I581-H664 HydrophobicContact CB-CB 4.03Å; I581-H664 PolarHBondContact N-O 2.65Å; Y615-H664 CarbonylContact O-C 3.54Å; Y615-H664 WeakPolarHBondContact O-CA 3.38Å; P616-H664 WeakPolarHBondContact CD-ND1 3.22Å; P657-H664 PolarHBondContact O-CE1 2.97Å; P657-H664 VanDerWaalsContact O-CE1 3.29Å; F658-H664 HydrophobicContact CD2-CB 4.48Å; F658-H664 AromaticContact CD2-CD2 3.5Å; F658-H664 AromaticContact CD2-CG 3.78Å; F658-H664 AromaticContact CD2-NE2 3.73Å; F658-H664 AromaticContact CE2-CD2 3.6Å; N659-H664 PolarHBondContact N-NE2 2.9Å
665	F	93.4	Very high	88	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.8	-175	-58	-64.5	0	0	0	112	M554 Y557 L578 F579 D580 S614 Y615 R663	M554-F665 HydrophobicContact SD-CE2 4.11Å; Y557-F665 HydrophobicContact CD1-CD2 4.44Å; Y557-F665 HydrophobicContact CD1-CE2 4.17Å; Y557-F665 HydrophobicContact CD1-CZ 4.24Å; Y557-F665 AromaticContact CD2-CD2 3.84Å; Y557-F665 HydrophobicContact CD2-CD2 3.84Å; Y557-F665 AromaticContact CD2-CE2 3.22Å; Y557-F665 HydrophobicContact CD2-CE2 3.22Å; Y557-F665 AromaticContact CD2-CZ 3.81Å; Y557-F665 HydrophobicContact CD2-CZ 3.81Å; Y557-F665 HydrophobicContact CE1-CD2 4.36Å; Y557-F665 HydrophobicContact CE1-CE2 4.49Å; Y557-F665 AromaticContact CE2-CD2 3.75Å; Y557-F665 HydrophobicContact CE2-CD2 3.75Å; Y557-F665 AromaticContact CE2-CE2 3.62Å; Y557-F665 HydrophobicContact CE2-CE2 3.62Å; Y557-F665 HydrophobicContact CG-CD2 4.2Å; Y557-F665 HydrophobicContact CG-CE1 4.39Å; Y557-F665 AromaticContact CG-CE2 3.54Å; Y557-F665 HydrophobicContact CG-CE2 3.54Å; Y557-F665 AromaticContact CG-CZ 3.63Å; Y557-F665 HydrophobicContact CG-CZ 3.63Å; L578-F665 HydrophobicContact CD1-CB 3.88Å; L578-F665 HydrophobicContact CD1-CD1 3.91Å; L578-F665 HydrophobicContact CD1-CG 4Å; L578-F665 HydrophobicContact CD2-CD1 4.13Å; L578-F665 HydrophobicContact CD2-CE1 4.12Å; L578-F665 HydrophobicContact CG-CD1 4.03Å; F579-F665 CarbonylContact O-C 3.59Å; F579-F665 VanDerWaalsContact O-CA 3.23Å; F579-F665 WeakPolarHBondContact O-CA 3.36Å; D580-F665 HydrophobicContact CB-CD1 3.83Å; D580-F665 HydrophobicContact CB-CE1 3.79Å; D580-F665 VanDerWaalsContact OD1-CE1 3.26Å; D580-F665 WeakPolarHBondContact OD1-CE1 3.42Å; S614-F665 CarbonylContact C-O 3.6Å; S614-F665 VanDerWaalsContact CA-O 3.27Å; S614-F665 WeakPolarHBondContact CA-O 3.11Å; Y615-F665 AromaticContact CD1-CD2 3.64Å; Y615-F665 HydrophobicContact CD1-CD2 3.64Å; Y615-F665 HydrophobicContact CD1-CE2 4.14Å; Y615-F665 HydrophobicContact CG-CD2 4.16Å; Y615-F665 PolarHBondContact N-O 3.37Å; Y615-F665 PolarHBondContact O-N 3.2Å; R663-F665 HydrophobicContact CB-CD2 4.3Å; R663-F665 HydrophobicContact CB-CE1 4.4Å; R663-F665 HydrophobicContact CB-CE2 3.61Å; R663-F665 HydrophobicContact CB-CZ 3.68Å; R663-F665 HydrophobicContact CG-CE2 4.3Å; R663-F665 HydrophobicContact CG-CZ 4.02Å; R663-F665 VanDerWaalsContact CZ-CZ 3.47Å
666	I	95.7	Very high	87.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	155.6	-58.6	154.1	0	0	0	106.4	F579 I581 L593 I596 I612 T613 I637 L640 W654 I668	F579-I666 HydrophobicContact CB-CB 4.14Å; F579-I666 PolarHBondContact N-O 2.79Å; F579-I666 PolarHBondContact O-N 2.94Å; I581-I666 HydrophobicContact CD1-CD1 4.1Å; L593-I666 HydrophobicContact CD1-CD1 3.84Å; I596-I666 HydrophobicContact CD1-CD1 4.23Å; I596-I666 HydrophobicContact CD1-CG2 4.38Å; I612-I666 HydrophobicContact CD1-CG2 3.64Å; I612-I666 HydrophobicContact CG1-CG2 3.81Å; T613-I666 WeakPolarHBondContact O-CA 3.03Å; I637-I666 HydrophobicContact CD1-CG1 4.27Å; I637-I666 HydrophobicContact CD1-CG2 4.24Å; L640-I666 HydrophobicContact CD1-CD1 3.6Å; L640-I666 HydrophobicContact CD1-CG1 4.22Å; L640-I666 HydrophobicContact CD1-CG2 4.39Å; W654-I666 HydrophobicContact CE3-CD1 4.29Å; W654-I666 HydrophobicContact CH2-CD1 3.97Å; W654-I666 HydrophobicContact CH2-CG1 3.8Å; W654-I666 HydrophobicContact CZ2-CG1 4.3Å; W654-I666 HydrophobicContact CZ3-CD1 3.7Å; W654-I666 HydrophobicContact CZ3-CG1 4.06Å; I666-I668 HydrophobicContact CG2-CG1 4.23Å
667	Q	95.1	Very high	87.8	Confident	41 Å²	41	43.4 Å²	43.4	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.5	178.4	-177.7	177.1	-29	0	0	109.2	L577 L578 I612 T613	L577-Q667 CarbonylContact O-C 3.48Å; L577-Q667 WeakPolarHBondContact O-CA 3.19Å; L578-Q667 HydrophobicContact CD1-CB 4.01Å; L578-Q667 HydrophobicContact CD1-CG 4.37Å; I612-Q667 CarbonylContact C-O 3.54Å; I612-Q667 WeakPolarHBondContact CA-O 3.49Å; T613-Q667 PolarHBondContact N-O 2.61Å; T613-Q667 PolarHBondContact O-N 3.18Å
668	I	95.1	Very high	88	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.1	178.1	-57.3	-177.5	0	0	0	108.4	L577 F579 I596 I598 C610 H611 I612 I641 I666 L670	L577-I668 HydrophobicContact CB-CB 4.24Å; L577-I668 PolarHBondContact N-O 3.3Å; L577-I668 PolarHBondContact O-N 3.32Å; F579-I668 HydrophobicContact CD2-CD1 4.47Å; F579-I668 HydrophobicContact CD2-CG1 4.48Å; F579-I668 HydrophobicContact CE2-CB 4.37Å; F579-I668 HydrophobicContact CE2-CD1 3.67Å; F579-I668 HydrophobicContact CE2-CG1 3.96Å; F579-I668 HydrophobicContact CZ-CD1 4.19Å; I596-I668 HydrophobicContact CB-CD1 4.42Å; I596-I668 HydrophobicContact CD1-CD1 4.11Å; I596-I668 HydrophobicContact CG2-CD1 4.07Å; I598-I668 HydrophobicContact CD1-CD1 4.3Å; I598-I668 HydrophobicContact CD1-CG2 3.92Å; C610-I668 HydrophobicContact CB-CG2 3.41Å; C610-I668 VanDerWaalsContact CB-CG2 3.41Å; H611-I668 CarbonylContact O-C 3.55Å; H611-I668 WeakPolarHBondContact O-CA 3.48Å; I612-I668 HydrophobicContact CB-CG1 4.4Å; I612-I668 HydrophobicContact CD1-CD1 4.08Å; I612-I668 HydrophobicContact CD1-CG1 3.93Å; I612-I668 HydrophobicContact CG1-CG1 3.89Å; I641-I668 HydrophobicContact CG2-CD1 4.36Å; I666-I668 HydrophobicContact CG2-CG1 4.23Å; I668-L670 HydrophobicContact CG2-CD1 4.46Å
669	T	92.3	Very high	88.1	Confident	38 Å²	38	40 Å²	40	23%	0.233	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.5	173.9	-55	0	0	0	0	109.3	H575 H611	H575-T669 CarbonylContact O-C 3.58Å; H575-T669 WeakPolarHBondContact O-CA 3.26Å; H611-T669 PolarHBondContact N-O 3.26Å; H611-T669 PolarHBondContact O-N 3.46Å
670	L	89.8	Confident	88.4	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-75.9	140.8	174.9	-76.1	68	0	0	0	109.3	H575 L577 I598 I606 I668 K672 I674 I678	H575-L670 PolarHBondContact O-N 3.05Å; L577-L670 HydrophobicContact CD1-CD1 3.84Å; L577-L670 HydrophobicContact CG-CD1 4Å; I598-L670 HydrophobicContact CD1-CD1 4.33Å; I606-L670 HydrophobicContact CD1-CD2 3.66Å; I606-L670 HydrophobicContact CD1-CG 3.83Å; I668-L670 HydrophobicContact CG2-CD1 4.46Å; L670-K672 PolarHBondContact O-N 3.36Å; L670-I674 HydrophobicContact CB-CD1 4.05Å; L670-I674 HydrophobicContact CD2-CD1 4.48Å; L670-I674 HydrophobicContact CG-CD1 4.5Å; L670-I678 HydrophobicContact CD2-CD1 4.03Å; L670-I678 HydrophobicContact CD2-CG1 4.16Å
671	P	80.1	Confident	88.8	Confident	25 Å²	25	29.9 Å²	29.9	16%	0.162	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-54	128	171.9	-28	33.7	0	0	0	113.1	L609 W673 I674	L609-P671 HydrophobicContact CB-CG 4.26Å; L609-P671 WeakPolarHBondContact O-CG 3.38Å; P671-W673 HydrophobicContact CB-CD2 4.04Å; P671-W673 HydrophobicContact CB-CG 4.09Å; P671-W673 HydrophobicContact CB-CZ2 4.07Å; P671-W673 VanDerWaalsContact CB-NE1 3.27Å; P671-W673 HydrophobicContact CG-CZ2 4.24Å; P671-W673 PolarHBondContact O-N 2.89Å; P671-I674 HydrophobicContact CB-CD1 4.19Å; P671-I674 HydrophobicContact CG-CD1 4.26Å; P671-I674 WeakPolarHBondContact O-CB 3.38Å; P671-I674 WeakPolarHBondContact O-CD1 3.29Å; P671-I674 WeakPolarHBondContact O-CG1 3.48Å; P671-I674 PolarHBondContact O-N 2.92Å
672	K	79.5	Confident	89.4	Confident	114 Å²	114	27.5 Å²	27.5	50%	0.496	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-6.2	-176.4	-60.7	-166.4	-161.9	152.2	0	115.2	D293 L670 I674	D293-K672 HydrophobicContact CB-CD 4.41Å; D293-K672 IonicContact OD1-NZ 2.74Å; D293-K672 PolarHBondContact OD1-NZ 3.34Å; D293-K672 WeakPolarHBondContact OD2-CD 3.27Å; D293-K672 WeakPolarHBondContact OD2-CE 3.37Å; D293-K672 IonicContact OD2-NZ 3.62Å; D293-K672 PolarHBondContact OD2-NZ 3.03Å; L670-K672 PolarHBondContact O-N 3.36Å; K672-I674 VanDerWaalsContact C-N 3.28Å
673	W	74.1	Confident	89.8	Confident	36 Å²	36	23.5 Å²	23.5	14%	0.136	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.9	171.6	56	-110	0	0	0	113.4	L290 S322 I323 I324 L609 P671 Q675	L290-W673 WeakPolarHBondContact O-CB 3.39Å; S322-W673 PolarHBondContact O-NE1 3.31Å; I323-W673 HydrophobicContact CG2-CD2 4.49Å; I323-W673 HydrophobicContact CG2-CG 4.27Å; I324-W673 HydrophobicContact CB-CH2 4.41Å; I324-W673 HydrophobicContact CB-CZ2 4.33Å; I324-W673 WeakPolarHBondContact O-CH2 3.2Å; I324-W673 WeakPolarHBondContact O-CZ3 3.27Å; L609-W673 HydrophobicContact CD1-CH2 3.83Å; L609-W673 HydrophobicContact CD1-CZ2 3.99Å; P671-W673 HydrophobicContact CB-CD2 4.04Å; P671-W673 HydrophobicContact CB-CG 4.09Å; P671-W673 HydrophobicContact CB-CZ2 4.07Å; P671-W673 VanDerWaalsContact CB-NE1 3.27Å; P671-W673 HydrophobicContact CG-CZ2 4.24Å; P671-W673 PolarHBondContact O-N 2.89Å; W673-Q675 PolarHBondContact O-N 3.2Å
674	I	77.8	Confident	90.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.11	C	C	.	.			trans	-67.4	121.3	173.6	-67.5	159.4	0	0	0	109.7	F573 H575 L600 I606 L670 P671 K672 S676	F573-I674 WeakPolarHBondContact CE2-O 3.49Å; H575-I674 PolarHBondContact NE2-O 2.93Å; L600-I674 HydrophobicContact CD1-CD1 4.41Å; L600-I674 HydrophobicContact CD1-CG1 4.16Å; L600-I674 HydrophobicContact CD1-CG2 3.59Å; L600-I674 HydrophobicContact CD2-CG2 3.88Å; L600-I674 HydrophobicContact CG-CG2 4.4Å; I606-I674 HydrophobicContact CB-CD1 4.43Å; I606-I674 HydrophobicContact CD1-CD1 3.51Å; I606-I674 HydrophobicContact CG2-CD1 4.31Å; L670-I674 HydrophobicContact CB-CD1 4.05Å; L670-I674 HydrophobicContact CD2-CD1 4.48Å; L670-I674 HydrophobicContact CG-CD1 4.5Å; P671-I674 HydrophobicContact CB-CD1 4.19Å; P671-I674 HydrophobicContact CG-CD1 4.26Å; P671-I674 WeakPolarHBondContact O-CB 3.38Å; P671-I674 WeakPolarHBondContact O-CD1 3.29Å; P671-I674 WeakPolarHBondContact O-CG1 3.48Å; P671-I674 PolarHBondContact O-N 2.92Å; K672-I674 VanDerWaalsContact C-N 3.28Å; I674-S676 WeakPolarHBondContact CG2-O 3.5Å
675	Q	80.7	Confident	90.3	Very high	121 Å²	121	21.8 Å²	21.8	57%	0.565	11%	0.109	S	C	*	.			trans	-111.3	-7.7	177.7	-68	165.7	20.8	0	0	112.4	T289 W673	T289-Q675 PolarHBondContact O-NE2 3.38Å; W673-Q675 PolarHBondContact O-N 3.2Å
676	S	85.4	Confident	90.5	Very high	32 Å²	32	21.9 Å²	21.9	22%	0.224	11%	0.109	C	C	.	.	S	Bend	trans	-86.4	145.1	175.8	-54.9	0	0	0	0	111.1	F573 I674	F573-S676 WeakPolarHBondContact CD2-O 3.35Å; I674-S676 WeakPolarHBondContact CG2-O 3.5Å
677	S	94.2	Very high	90.4	Very high	20 Å²	20	21.9 Å²	21.9	14%	0.14	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-65.9	154.7	169.1	42.9	0	0	0	0	112.7	L571 P572 L600 S601	L571-S677 WeakPolarHBondContact O-CB 3.39Å; P572-S677 WeakPolarHBondContact O-CA 3.44Å; P572-S677 WeakPolarHBondContact O-CB 3.37Å; L600-S677 CarbonylContact C-O 3.59Å; L600-S677 WeakPolarHBondContact CA-O 3.38Å; L600-S677 WeakPolarHBondContact CD2-O 3.46Å; S601-S677 WeakPolarHBondContact CB-OG 3.5Å; S601-S677 PolarHBondContact N-O 2.84Å; S601-S677 PolarHBondContact OG-N 2.72Å; S601-S677 PolarHBondContact OG-O 2.83Å; S601-S677 PolarHBondContact OG-OG 3.5Å
678	I	95.6	Very high	90.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.4	168.6	-59	174.3	0	0	0	107.7	P572 L577 I598 L600 L670 I681 L704 F730	P572-I678 WeakPolarHBondContact CD-O 3.22Å; P572-I678 PolarHBondContact O-N 2.83Å; L577-I678 HydrophobicContact CD1-CD1 4.21Å; L577-I678 HydrophobicContact CD2-CD1 4.12Å; L577-I678 HydrophobicContact CG-CD1 4.32Å; I598-I678 HydrophobicContact CG2-CG1 4.37Å; I598-I678 HydrophobicContact CG2-CG2 4.22Å; L600-I678 HydrophobicContact CD2-CG1 4.34Å; L670-I678 HydrophobicContact CD2-CD1 4.03Å; L670-I678 HydrophobicContact CD2-CG1 4.16Å; I678-I681 HydrophobicContact CG2-CD1 4.19Å; I678-I681 HydrophobicContact CG2-CG1 3.85Å; I678-L704 HydrophobicContact CD1-CD1 4.01Å; I678-L704 HydrophobicContact CD1-CD2 4.15Å; I678-F730 HydrophobicContact CG2-CD2 4.07Å; I678-F730 HydrophobicContact CG2-CE2 4.24Å
679	A	94.4	Very high	90.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-31.7	-179.5	0	0	0	0	0	112.5	L571 F599 F730 C731 I736 I740	L571-A679 HydrophobicContact CD2-CB 3.94Å; F599-A679 PolarHBondContact O-N 2.88Å; A679-F730 WeakPolarHBondContact O-CA 3.39Å; A679-F730 PolarHBondContact O-N 3.49Å; A679-C731 HydrophobicContact CB-CB 4.07Å; A679-C731 PolarHBondContact O-N 3.13Å; A679-I736 HydrophobicContact CB-CG2 3.81Å; A679-I740 HydrophobicContact CB-CD1 3.83Å
680	L	94	Very high	90.1	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.052	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.1	178.8	179.2	155.7	0	0	0	110.3	F599 R682 I727 I728 L729 I740	F599-L680 HydrophobicContact CB-CB 4.23Å; F599-L680 HydrophobicContact CD2-CD2 3.62Å; F599-L680 HydrophobicContact CE2-CD2 4.15Å; F599-L680 HydrophobicContact CG-CD2 4.38Å; F599-L680 PolarHBondContact N-O 3.23Å; F599-L680 PolarHBondContact O-N 3.3Å; F599-L680 VanDerWaalsContact O-N 3.16Å; L680-R682 HydrophobicContact CD2-CB 4.11Å; L680-I727 HydrophobicContact CD1-CG2 3.59Å; L680-I727 HydrophobicContact CD2-CG2 4.41Å; L680-I727 HydrophobicContact CG-CG2 3.94Å; L680-I728 WeakPolarHBondContact CA-O 3.39Å; L680-L729 HydrophobicContact CB-CD1 4.36Å; L680-L729 HydrophobicContact CD1-CD1 4.25Å; L680-I740 HydrophobicContact CB-CD1 4.23Å
681	I	96.1	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.6	163.8	-66	173.3	0	0	0	108.1	L577 F579 I596 E597 I598 I678 I683 I709 I728 F730	L577-I681 HydrophobicContact CD1-CD1 3.96Å; L577-I681 HydrophobicContact CD2-CD1 4.07Å; F579-I681 HydrophobicContact CE1-CG2 4.26Å; F579-I681 HydrophobicContact CZ-CG2 4.41Å; I596-I681 HydrophobicContact CG2-CG2 4.22Å; E597-I681 CarbonylContact O-C 3.35Å; E597-I681 VanDerWaalsContact O-CA 3.29Å; E597-I681 WeakPolarHBondContact O-CA 3.5Å; I598-I681 HydrophobicContact CG1-CG1 4.44Å; I678-I681 HydrophobicContact CG2-CD1 4.19Å; I678-I681 HydrophobicContact CG2-CG1 3.85Å; I681-I683 HydrophobicContact CG2-CG1 4.09Å; I681-I709 HydrophobicContact CD1-CD1 4.35Å; I681-I728 HydrophobicContact CB-CB 4.46Å; I681-I728 PolarHBondContact N-O 2.99Å; I681-I728 PolarHBondContact O-N 2.91Å; I681-F730 HydrophobicContact CB-CE2 4.09Å; I681-F730 HydrophobicContact CD1-CE2 3.88Å; I681-F730 HydrophobicContact CD1-CZ 4.22Å; I681-F730 HydrophobicContact CG1-CE2 3.83Å
682	R	95.3	Very high	90.8	Very high	8 Å²	8	37 Å²	37	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137	172.2	-172.3	178.6	-63.5	149.2	-10.8	109	I596 E597 L680 W684 E726 I727 D744	I596-R682 CarbonylContact C-O 3.47Å; I596-R682 WeakPolarHBondContact CA-O 2.9Å; E597-R682 HydrophobicContact CB-CB 4.11Å; E597-R682 PolarHBondContact N-O 2.82Å; E597-R682 PolarHBondContact O-N 3.4Å; E597-R682 VanDerWaalsContact OE2-CD 3.32Å; E597-R682 WeakPolarHBondContact OE2-CD 3.14Å; E597-R682 IonicContact OE2-CZ 3.68Å; E597-R682 IonicContact OE2-NE 3.92Å; E597-R682 IonicContact OE2-NH1 2.72Å; E597-R682 PolarHBondContact OE2-NH1 2.71Å; L680-R682 HydrophobicContact CD2-CB 4.11Å; R682-W684 VanDerWaalsContact CD-CE2 3.41Å; R682-W684 VanDerWaalsContact CD-NE1 3.26Å; R682-E726 CarbonylContact C-O 3.56Å; R682-E726 WeakPolarHBondContact CA-O 3.31Å; R682-I727 HydrophobicContact CB-CG1 4.15Å; R682-I727 HydrophobicContact CG-CD1 4.33Å; R682-I727 HydrophobicContact CG-CG1 3.74Å; R682-D744 IonicContact CZ-OD1 3.62Å; R682-D744 IonicContact CZ-OD2 2.79Å; R682-D744 IonicContact NH1-OD1 3.67Å; R682-D744 PolarHBondContact NH1-OD1 3.25Å; R682-D744 IonicContact NH1-OD2 3.17Å; R682-D744 IonicContact NH2-OD1 2.59Å; R682-D744 IonicContact NH2-OD2 3.58Å; R682-D744 PolarHBondContact NH2-OD2 3.02Å
683	I	96.5	Very high	91.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120	177.1	-58.5	-173.6	0	0	0	108.7	F579 L593 I681 M700 I702 I714 S725 E726 I728	F579-I683 HydrophobicContact CD1-CD1 4.23Å; F579-I683 HydrophobicContact CE1-CD1 4.01Å; L593-I683 HydrophobicContact CD1-CG2 4.2Å; L593-I683 HydrophobicContact CD2-CG2 3.83Å; I681-I683 HydrophobicContact CG2-CG1 4.09Å; I683-M700 HydrophobicContact CD1-CE 4.38Å; I683-M700 HydrophobicContact CD1-SD 3.45Å; I683-M700 WeakPolarHBondContact CD1-SD 3.27Å; I683-I702 HydrophobicContact CD1-CD1 4Å; I683-I714 HydrophobicContact CB-CG2 4.45Å; I683-I714 HydrophobicContact CD1-CD1 4.03Å; I683-I714 HydrophobicContact CG2-CG2 3.98Å; I683-S725 WeakPolarHBondContact O-CA 3.43Å; I683-E726 PolarHBondContact N-O 2.94Å; I683-E726 PolarHBondContact O-N 3.47Å; I683-I728 HydrophobicContact CD1-CD1 3.79Å; I683-I728 HydrophobicContact CG1-CD1 4.38Å
684	W	95.9	Very high	92.3	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	106.6	-179.2	-65.9	97	0	0	0	108.9	T594 G595 E597 N645 Y646 R682 Y724 L746	T594-W684 WeakPolarHBondContact CA-O 3.4Å; T594-W684 WeakPolarHBondContact CB-O 3.27Å; T594-W684 PolarHBondContact N-O 3.43Å; G595-W684 PolarHBondContact N-O 3.33Å; G595-W684 VanDerWaalsContact N-O 3.14Å; G595-W684 WeakPolarHBondContact O-CB 3.37Å; G595-W684 PolarHBondContact O-N 2.99Å; E597-W684 PolarHBondContact OE2-NE1 3.03Å; N645-W684 HydrophobicContact CB-CD2 3.79Å; N645-W684 VanDerWaalsContact CB-CE2 3.49Å; N645-W684 HydrophobicContact CB-CG 3.77Å; N645-W684 HydrophobicContact CB-CZ2 4.04Å; Y646-W684 AromaticContact CD2-CH2 3.87Å; Y646-W684 HydrophobicContact CD2-CH2 3.87Å; Y646-W684 AromaticContact CD2-CZ3 3.8Å; Y646-W684 HydrophobicContact CD2-CZ3 3.8Å; R682-W684 VanDerWaalsContact CD-CE2 3.41Å; R682-W684 VanDerWaalsContact CD-NE1 3.26Å; W684-Y724 HydrophobicContact CB-CE2 4.12Å; W684-Y724 HydrophobicContact CD2-CE2 4.5Å; W684-Y724 AromaticContact CE3-CD2 3.99Å; W684-Y724 HydrophobicContact CE3-CD2 3.99Å; W684-Y724 HydrophobicContact CE3-CE1 4.45Å; W684-Y724 AromaticContact CE3-CE2 3.61Å; W684-Y724 HydrophobicContact CE3-CE2 3.61Å; W684-Y724 AromaticContact CE3-CZ 3.87Å; W684-Y724 HydrophobicContact CZ3-CE1 4.47Å; W684-Y724 HydrophobicContact CZ3-CE2 4.38Å; W684-L746 HydrophobicContact CH2-CD1 3.78Å; W684-L746 HydrophobicContact CH2-CD2 3.48Å; W684-L746 VanDerWaalsContact CH2-CD2 3.48Å; W684-L746 HydrophobicContact CH2-CG 4.19Å; W684-L746 HydrophobicContact CZ2-CD1 4.35Å; W684-L746 HydrophobicContact CZ2-CD2 3.76Å; W684-L746 HydrophobicContact CZ2-CG 4.48Å
685	N	95.9	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	162.4	-173.5	-148.3	-10.9	0	0	0	112.4	T594 N687 G696 V697 I714 N715 A717 Y724	T594-N685 PolarHBondContact OG1-O 2.94Å; N685-N687 PolarHBondContact O-N 3.27Å; N685-N687 VanDerWaalsContact O-N 3.13Å; N685-G696 VanDerWaalsContact OD1-C 3.3Å; N685-G696 WeakPolarHBondContact OD1-CA 3.46Å; N685-V697 PolarHBondContact ND2-O 2.98Å; N685-V697 PolarHBondContact OD1-N 2.77Å; N685-I714 HydrophobicContact CB-CG2 4.36Å; N685-N715 WeakPolarHBondContact CB-O 2.92Å; N685-N715 PolarHBondContact ND2-O 2.93Å; N685-A717 HydrophobicContact CB-CB 4.22Å; N685-Y724 WeakPolarHBondContact O-CD2 3.43Å; N685-Y724 WeakPolarHBondContact O-CE2 3.41Å
686	Y	96.1	Very high	93.9	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.012	14%	0.139	C	C	.	.			trans	-64.5	111	-171.3	-164.8	-92.7	0	0	0	112.8	M653 W654 L655 Q688 H692 Y695 A717	M653-Y686 HydrophobicContact CB-CD2 4.1Å; M653-Y686 HydrophobicContact CB-CE2 3.62Å; M653-Y686 HydrophobicContact CG-CE2 4.32Å; M653-Y686 HydrophobicContact SD-CD2 4.1Å; M653-Y686 HydrophobicContact SD-CE1 4.34Å; M653-Y686 HydrophobicContact SD-CE2 3.94Å; M653-Y686 HydrophobicContact SD-CG 4.39Å; W654-Y686 WeakPolarHBondContact O-CD2 2.93Å; W654-Y686 WeakPolarHBondContact O-CE2 3.39Å; L655-Y686 HydrophobicContact CB-CE2 3.94Å; L655-Y686 HydrophobicContact CD1-CD2 4.35Å; L655-Y686 HydrophobicContact CD1-CE1 4.47Å; L655-Y686 HydrophobicContact CD1-CE2 3.96Å; L655-Y686 HydrophobicContact CG-CE2 4.44Å; Y686-Q688 HydrophobicContact CD1-CB 4.26Å; Y686-Q688 HydrophobicContact CE1-CB 3.57Å; Y686-Q688 PolarHBondContact OH-OE1 2.96Å; Y686-H692 HydrophobicContact CD1-CB 4.23Å; Y686-H692 HydrophobicContact CE1-CB 3.91Å; Y686-Y695 HydrophobicContact CD1-CD2 4.26Å; Y686-Y695 AromaticContact CE1-CD2 3.92Å; Y686-Y695 HydrophobicContact CE1-CD2 3.92Å; Y686-A717 WeakPolarHBondContact O-CB 3.32Å
687	N	94.8	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.			trans	-111.7	8.9	-164.8	-165.8	52.9	0	0	0	115.4	T594 T647 C648 M653 N685 S689 A717 G719 I720 Y724	T594-N687 PolarHBondContact OG1-N 3.45Å; T647-N687 PolarHBondContact O-ND2 2.67Å; C648-N687 PolarHBondContact SG-ND2 3.17Å; M653-N687 HydrophobicContact CE-CB 4.03Å; N685-N687 PolarHBondContact O-N 3.27Å; N685-N687 VanDerWaalsContact O-N 3.13Å; N687-S689 PolarHBondContact O-N 2.9Å; N687-A717 HydrophobicContact CB-CB 4Å; N687-A717 WeakPolarHBondContact OD1-CB 3.34Å; N687-G719 WeakPolarHBondContact O-CA 3.5Å; N687-G719 VanDerWaalsContact OD1-CA 3.23Å; N687-G719 WeakPolarHBondContact OD1-CA 3.34Å; N687-G719 PolarHBondContact OD1-N 3.4Å; N687-I720 PolarHBondContact ND2-O 2.97Å; N687-I720 PolarHBondContact OD1-N 3.22Å; N687-I720 PolarHBondContact OD1-O 2.9Å; N687-Y724 HydrophobicContact CB-CD1 4.14Å; N687-Y724 HydrophobicContact CB-CD2 3.93Å; N687-Y724 HydrophobicContact CB-CE1 3.84Å; N687-Y724 HydrophobicContact CB-CE2 3.58Å; N687-Y724 HydrophobicContact CB-CG 4.2Å; N687-Y724 VanDerWaalsContact CG-CD1 3.49Å; N687-Y724 WeakPolarHBondContact ND2-CD1 3.31Å; N687-Y724 WeakPolarHBondContact ND2-CE1 3.34Å
688	Q	93.3	Very high	94.5	Very high	59 Å²	59	28 Å²	28	28%	0.276	13%	0.131	S	C	.	.	S	Bend	trans	-54	-34.1	-169.4	-160.2	-153.5	-0.2	0	0	115.1	C648 K650 M653 Y686 H692	C648-Q688 WeakPolarHBondContact O-CA 3.48Å; C648-Q688 WeakPolarHBondContact O-CG 3.4Å; K650-Q688 HydrophobicContact CB-CG 4.25Å; M653-Q688 HydrophobicContact CE-CB 4.43Å; M653-Q688 HydrophobicContact SD-CB 3.76Å; M653-Q688 HydrophobicContact SD-CG 4.44Å; M653-Q688 PolarHBondContact SD-N 3.07Å; Y686-Q688 HydrophobicContact CD1-CB 4.26Å; Y686-Q688 HydrophobicContact CE1-CB 3.57Å; Y686-Q688 PolarHBondContact OH-OE1 2.96Å; Q688-H692 HydrophobicContact CB-CB 4.35Å; Q688-H692 PolarHBondContact OE1-ND1 2.95Å
689	S	92.6	Very high	94.4	Very high	34 Å²	34	30.3 Å²	30.3	24%	0.238	14%	0.142	C	C	.	.			trans	-163.9	164.9	173.5	71.2	0	0	0	0	111.9	N687 R691 H692 S693	N687-S689 PolarHBondContact O-N 2.9Å; S689-R691 PolarHBondContact O-N 2.89Å; S689-R691 VanDerWaalsContact O-N 3.13Å; S689-R691 PolarHBondContact OG-N 3.46Å; S689-H692 CarbonylContact O-C 3.58Å; S689-H692 PolarHBondContact O-N 3.04Å; S689-H692 WeakPolarHBondContact OG-CB 3.33Å; S689-H692 VanDerWaalsContact OG-CG 3.23Å; S689-H692 PolarHBondContact OG-N 3.49Å; S689-H692 VanDerWaalsContact OG-N 3.08Å; S689-H692 PolarHBondContact OG-ND1 2.82Å; S689-S693 PolarHBondContact O-N 2.85Å
690	L	90.7	Very high	94.4	Very high	129 Å²	129	30.3 Å²	30.3	68%	0.675	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-33	175.2	177.9	63	0	0	0	112.3	S693 Q718	L690-S693 PolarHBondContact O-OG 2.86Å; L690-Q718 VanDerWaalsContact CD1-O 3.27Å; L690-Q718 WeakPolarHBondContact CD1-O 3.5Å
691	R	90.9	Very high	94.3	Very high	172 Å²	172	30 Å²	30	65%	0.649	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.8	174.1	-177.2	-172	168.1	92.7	-2.1	111.8	S689 S693	S689-R691 PolarHBondContact O-N 2.89Å; S689-R691 VanDerWaalsContact O-N 3.13Å; S689-R691 PolarHBondContact OG-N 3.46Å; R691-S693 VanDerWaalsContact C-N 3.32Å
692	H	92.5	Very high	94.2	Very high	31 Å²	31	30 Å²	30	14%	0.144	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-82.6	-10.3	-172.8	-56.4	168.5	0	0	0	113.2	Y686 Q688 S689 L694 Y695	Y686-H692 HydrophobicContact CD1-CB 4.23Å; Y686-H692 HydrophobicContact CE1-CB 3.91Å; Q688-H692 HydrophobicContact CB-CB 4.35Å; Q688-H692 PolarHBondContact OE1-ND1 2.95Å; S689-H692 CarbonylContact O-C 3.58Å; S689-H692 PolarHBondContact O-N 3.04Å; S689-H692 WeakPolarHBondContact OG-CB 3.33Å; S689-H692 VanDerWaalsContact OG-CG 3.23Å; S689-H692 PolarHBondContact OG-N 3.49Å; S689-H692 VanDerWaalsContact OG-N 3.08Å; S689-H692 PolarHBondContact OG-ND1 2.82Å; H692-L694 PolarHBondContact O-N 3.2Å; H692-Y695 HydrophobicContact CB-CD1 4.41Å; H692-Y695 HydrophobicContact CB-CD2 3.87Å; H692-Y695 HydrophobicContact CB-CE1 4.31Å; H692-Y695 HydrophobicContact CB-CE2 3.76Å; H692-Y695 HydrophobicContact CB-CG 4.23Å; H692-Y695 AromaticContact CD2-CE1 3.91Å; H692-Y695 AromaticContact CD2-CE2 3.76Å; H692-Y695 AromaticContact CD2-CZ 3.33Å; H692-Y695 PolarHBondContact CD2-OH 3.35Å; H692-Y695 AromaticContact CG-CE2 3.66Å; H692-Y695 AromaticContact CG-CZ 3.72Å; H692-Y695 PolarHBondContact NE2-OH 3.39Å; H692-Y695 WeakPolarHBondContact O-CA 3.4Å; H692-Y695 WeakPolarHBondContact O-CB 3.34Å; H692-Y695 WeakPolarHBondContact O-CD1 3.47Å; H692-Y695 PolarHBondContact O-N 3.19Å
693	S	92.6	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-54.1	-20.7	165.8	65.2	0	0	0	0	114.7	S689 L690 R691 Y695 G696 K716 A717	S689-S693 PolarHBondContact O-N 2.85Å; L690-S693 PolarHBondContact O-OG 2.86Å; R691-S693 VanDerWaalsContact C-N 3.32Å; S693-Y695 PolarHBondContact O-N 3.21Å; S693-G696 PolarHBondContact O-N 3.25Å; S693-K716 WeakPolarHBondContact O-CE 3.24Å; S693-K716 VanDerWaalsContact OG-CE 3.23Å; S693-K716 WeakPolarHBondContact OG-CE 3.35Å; S693-K716 PolarHBondContact OG-NZ 3.31Å; S693-A717 WeakPolarHBondContact CB-O 3.47Å
694	L	93.8	Very high	94.1	Very high	73 Å²	73	30.5 Å²	30.5	38%	0.382	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-70.1	-14	171.9	-64.2	169.6	0	0	0	113.1	W585 G586 N587 H692 G696	W585-L694 CarbonylContact C-O 3.53Å; W585-L694 VanDerWaalsContact O-CD2 3.26Å; W585-L694 WeakPolarHBondContact O-CD2 3.27Å; G586-L694 PolarHBondContact N-O 2.69Å; N587-L694 WeakPolarHBondContact CB-O 3.45Å; N587-L694 PolarHBondContact N-O 3.34Å; H692-L694 PolarHBondContact O-N 3.2Å; L694-G696 VanDerWaalsContact C-N 3.31Å
695	Y	95.3	Very high	93.9	Very high	18 Å²	18	33.6 Å²	33.6	7%	0.071	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-85.5	-12.2	178.8	-50.7	2.3	0	0	0	110.5	N587 V591 G592 L655 Y686 H692 S693	N587-Y695 HydrophobicContact CB-CD1 3.77Å; N587-Y695 HydrophobicContact CB-CE1 4.41Å; N587-Y695 HydrophobicContact CB-CG 4.46Å; N587-Y695 WeakPolarHBondContact ND2-CD1 3.36Å; N587-Y695 WeakPolarHBondContact ND2-CE1 3.39Å; V591-Y695 CarbonylContact C-O 3.59Å; V591-Y695 VanDerWaalsContact CA-O 3.28Å; V591-Y695 WeakPolarHBondContact CA-O 3.28Å; G592-Y695 PolarHBondContact N-O 2.9Å; L655-Y695 HydrophobicContact CD1-CD2 3.72Å; L655-Y695 HydrophobicContact CD1-CG 4.33Å; L655-Y695 HydrophobicContact CD2-CD2 4.24Å; L655-Y695 HydrophobicContact CD2-CE2 4.45Å; Y686-Y695 HydrophobicContact CD1-CD2 4.26Å; Y686-Y695 AromaticContact CE1-CD2 3.92Å; Y686-Y695 HydrophobicContact CE1-CD2 3.92Å; H692-Y695 HydrophobicContact CB-CD1 4.41Å; H692-Y695 HydrophobicContact CB-CD2 3.87Å; H692-Y695 HydrophobicContact CB-CE1 4.31Å; H692-Y695 HydrophobicContact CB-CE2 3.76Å; H692-Y695 HydrophobicContact CB-CG 4.23Å; H692-Y695 AromaticContact CD2-CE1 3.91Å; H692-Y695 AromaticContact CD2-CE2 3.76Å; H692-Y695 AromaticContact CD2-CZ 3.33Å; H692-Y695 PolarHBondContact CD2-OH 3.35Å; H692-Y695 AromaticContact CG-CE2 3.66Å; H692-Y695 AromaticContact CG-CZ 3.72Å; H692-Y695 PolarHBondContact NE2-OH 3.39Å; H692-Y695 WeakPolarHBondContact O-CA 3.4Å; H692-Y695 WeakPolarHBondContact O-CB 3.34Å; H692-Y695 WeakPolarHBondContact O-CD1 3.47Å; H692-Y695 PolarHBondContact O-N 3.19Å; S693-Y695 PolarHBondContact O-N 3.21Å
696	G	95.9	Very high	93.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-64.8	149.9	178.5	0	0	0	0	0	113.3	T584 W585 N685 S693 L694 K698	T584-G696 CarbonylContact C-O 3.52Å; T584-G696 VanDerWaalsContact CA-O 3.27Å; T584-G696 WeakPolarHBondContact CA-O 3.35Å; W585-G696 PolarHBondContact N-O 2.7Å; N685-G696 VanDerWaalsContact OD1-C 3.3Å; N685-G696 WeakPolarHBondContact OD1-CA 3.46Å; S693-G696 PolarHBondContact O-N 3.25Å; L694-G696 VanDerWaalsContact C-N 3.31Å; G696-K698 PolarHBondContact O-N 2.67Å
697	V	97	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-58.8	132.1	171.7	175.9	0	0	0	0	109.9	I581 W585 V591 L593 N685 M700 I714	I581-V697 HydrophobicContact CD1-CG2 3.92Å; I581-V697 HydrophobicContact CG1-CG1 4.49Å; I581-V697 HydrophobicContact CG1-CG2 3.94Å; I581-V697 HydrophobicContact CG2-CG1 4.33Å; I581-V697 HydrophobicContact CG2-CG2 4.06Å; W585-V697 PolarHBondContact NE1-O 2.79Å; W585-V697 VanDerWaalsContact NE1-O 3.1Å; V591-V697 HydrophobicContact CG2-CG2 3.67Å; L593-V697 HydrophobicContact CD1-CG2 4.27Å; L593-V697 HydrophobicContact CD2-CB 4.02Å; L593-V697 HydrophobicContact CD2-CG2 3.7Å; L593-V697 HydrophobicContact CG-CG2 3.81Å; N685-V697 PolarHBondContact ND2-O 2.98Å; N685-V697 PolarHBondContact OD1-N 2.77Å; V697-M700 HydrophobicContact CG1-CB 4.1Å; V697-M700 HydrophobicContact CG1-CE 4.38Å; V697-M700 HydrophobicContact CG1-SD 4.42Å; V697-I714 HydrophobicContact CG1-CG1 4.25Å
698	K	95.5	Very high	93	Very high	45 Å²	45	48.3 Å²	48.3	20%	0.196	23%	0.23	C	C	.	.			trans	-98.1	-67.3	170.4	179.4	-173.4	-179.9	-69	0	110.5	S583 T584 W585 G696 E713 I714	S583-K698 PolarHBondContact O-N 2.93Å; T584-K698 VanDerWaalsContact C-CB 3.42Å; T584-K698 WeakPolarHBondContact O-CB 3.48Å; W585-K698 HydrophobicContact CD2-CB 4.12Å; W585-K698 HydrophobicContact CD2-CG 4.12Å; W585-K698 HydrophobicContact CE3-CD 4.49Å; W585-K698 HydrophobicContact CE3-CG 4.46Å; W585-K698 HydrophobicContact CG-CB 4.09Å; W585-K698 HydrophobicContact CH2-CG 4.43Å; W585-K698 HydrophobicContact CZ2-CG 4.08Å; G696-K698 PolarHBondContact O-N 2.67Å; K698-E713 IonicContact NZ-OE1 2.9Å; K698-E713 PolarHBondContact NZ-OE1 3.46Å; K698-E713 CarbonylContact O-C 3.45Å; K698-E713 WeakPolarHBondContact O-CA 3.37Å; K698-I714 PolarHBondContact O-N 3.46Å
699	E	93.3	Very high	92.9	Very high	52 Å²	52	45.8 Å²	45.8	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.4	178.8	-67.1	142.7	-179	0	0	111.3	I582 S583 G712 E713	I582-E699 HydrophobicContact CB-CB 3.87Å; I582-E699 WeakPolarHBondContact CB-O 3.41Å; I582-E699 HydrophobicContact CD1-CB 4.47Å; I582-E699 HydrophobicContact CG2-CB 4.09Å; I582-E699 PolarHBondContact N-O 3.18Å; S583-E699 WeakPolarHBondContact CB-OE2 3.07Å; S583-E699 PolarHBondContact N-O 2.75Å; S583-E699 WeakPolarHBondContact OG-CB 3.44Å; S583-E699 PolarHBondContact OG-N 3.41Å; S583-E699 PolarHBondContact OG-OE2 2.97Å; E699-G712 WeakPolarHBondContact CA-O 3.48Å; E699-E713 HydrophobicContact CG-CG 4.07Å
700	M	94	Very high	92.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.6	169.7	80.5	-166.9	-36.5	0	0	113	F579 D580 I581 I683 V697 I702 F710 G712 I714	F579-M700 HydrophobicContact CB-CE 3.81Å; F579-M700 HydrophobicContact CD1-CE 3.82Å; F579-M700 HydrophobicContact CD1-SD 4.43Å; F579-M700 HydrophobicContact CG-CE 4.31Å; D580-M700 VanDerWaalsContact O-CA 3.27Å; D580-M700 WeakPolarHBondContact O-CA 3.42Å; D580-M700 WeakPolarHBondContact O-CB 3.12Å; I581-M700 HydrophobicContact CG1-CE 4.24Å; I683-M700 HydrophobicContact CD1-CE 4.38Å; I683-M700 HydrophobicContact CD1-SD 3.45Å; I683-M700 WeakPolarHBondContact CD1-SD 3.27Å; V697-M700 HydrophobicContact CG1-CB 4.1Å; V697-M700 HydrophobicContact CG1-CE 4.38Å; V697-M700 HydrophobicContact CG1-SD 4.42Å; M700-I702 HydrophobicContact CG-CG1 4.37Å; M700-I702 HydrophobicContact SD-CG1 4.41Å; M700-F710 HydrophobicContact CG-CD1 4.32Å; M700-F710 HydrophobicContact CG-CE1 4.17Å; M700-G712 PolarHBondContact N-O 3.12Å; M700-G712 VanDerWaalsContact N-O 3.11Å; M700-G712 PolarHBondContact O-N 3.34Å; M700-I714 HydrophobicContact CG-CD1 4.25Å; M700-I714 HydrophobicContact CG-CG1 4.15Å; M700-I714 HydrophobicContact SD-CD1 3.77Å; M700-I714 HydrophobicContact SD-CG1 3.67Å
701	I	92.2	Very high	92.8	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.9	164.3	-56	154.1	0	0	0	107.6	R560 I563 F579 D580 I582 Y703 P708 F710 Y711	R560-I701 HydrophobicContact CG-CD1 4.11Å; I563-I701 HydrophobicContact CD1-CD1 3.61Å; I563-I701 HydrophobicContact CD1-CG1 3.68Å; I563-I701 HydrophobicContact CD1-CG2 4.19Å; F579-I701 CarbonylContact C-O 3.56Å; F579-I701 WeakPolarHBondContact CA-O 3.28Å; D580-I701 HydrophobicContact CB-CB 4.37Å; D580-I701 PolarHBondContact N-O 3.5Å; D580-I701 PolarHBondContact O-N 2.86Å; I582-I701 HydrophobicContact CD1-CD1 3.84Å; I582-I701 HydrophobicContact CD1-CG1 3.79Å; I701-Y703 HydrophobicContact CB-CE2 3.93Å; I701-Y703 HydrophobicContact CG2-CD1 4.41Å; I701-Y703 HydrophobicContact CG2-CD2 3.95Å; I701-Y703 HydrophobicContact CG2-CE1 3.97Å; I701-Y703 HydrophobicContact CG2-CE2 3.45Å; I701-Y703 VanDerWaalsContact CG2-CE2 3.45Å; I701-Y703 HydrophobicContact CG2-CG 4.4Å; I701-Y703 VanDerWaalsContact CG2-CZ 3.47Å; I701-P708 HydrophobicContact CG2-CB 4.44Å; I701-F710 CarbonylContact C-O 3.54Å; I701-F710 WeakPolarHBondContact CA-O 3.48Å; I701-F710 WeakPolarHBondContact CG2-O 3.02Å; I701-Y711 HydrophobicContact CG1-CD2 3.52Å; I701-Y711 HydrophobicContact CG1-CE2 4.19Å; I701-Y711 HydrophobicContact CG1-CG 4.21Å
702	I	94.7	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.6	167.2	-48.9	173.1	0	0	0	107.6	L577 L578 F579 I683 M700 I709 F710 I728	L577-I702 HydrophobicContact CD2-CG2 3.93Å; L578-I702 CarbonylContact O-C 3.54Å; L578-I702 WeakPolarHBondContact O-CA 3.43Å; F579-I702 HydrophobicContact CD1-CD1 3.77Å; F579-I702 HydrophobicContact CD1-CG1 3.67Å; F579-I702 HydrophobicContact CD1-CG2 4.14Å; F579-I702 HydrophobicContact CE1-CD1 3.62Å; F579-I702 HydrophobicContact CE1-CG1 4.01Å; F579-I702 HydrophobicContact CE1-CG2 4.12Å; F579-I702 HydrophobicContact CG-CG1 4.4Å; F579-I702 HydrophobicContact CG-CG2 4.38Å; F579-I702 HydrophobicContact CZ-CG2 4.33Å; I683-I702 HydrophobicContact CD1-CD1 4Å; M700-I702 HydrophobicContact CG-CG1 4.37Å; M700-I702 HydrophobicContact SD-CG1 4.41Å; I702-I709 HydrophobicContact CB-CG1 4.15Å; I702-I709 HydrophobicContact CG2-CD1 4.1Å; I702-I709 HydrophobicContact CG2-CG1 3.98Å; I702-I709 WeakPolarHBondContact O-CG1 3.5Å; I702-I709 PolarHBondContact O-N 3.06Å; I702-F710 HydrophobicContact CB-CB 4.03Å; I702-F710 HydrophobicContact CD1-CB 4Å; I702-F710 HydrophobicContact CD1-CD1 4.04Å; I702-F710 HydrophobicContact CD1-CG 4.27Å; I702-F710 HydrophobicContact CG1-CB 4.06Å; I702-F710 HydrophobicContact CG1-CD1 4.05Å; I702-F710 HydrophobicContact CG1-CG 4.49Å; I702-F710 PolarHBondContact N-O 2.96Å; I702-F710 PolarHBondContact O-N 3.09Å; I702-F710 VanDerWaalsContact O-N 3.14Å; I702-I728 HydrophobicContact CD1-CD1 3.43Å; I702-I728 VanDerWaalsContact CD1-CD1 3.43Å
703	Y	94	Very high	92.6	Very high	11 Å²	11	38 Å²	38	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.5	171	-52.1	-97.6	0	0	0	109.8	P558 L577 L578 D580 I701 Q707 P708	P558-Y703 HydrophobicContact CB-CD1 3.97Å; P558-Y703 HydrophobicContact CB-CE1 3.42Å; P558-Y703 VanDerWaalsContact CB-CE1 3.42Å; P558-Y703 HydrophobicContact CB-CE2 4.22Å; P558-Y703 HydrophobicContact CG-CD1 3.79Å; P558-Y703 HydrophobicContact CG-CD2 4.38Å; P558-Y703 HydrophobicContact CG-CE1 3.79Å; P558-Y703 HydrophobicContact CG-CE2 4.38Å; P558-Y703 HydrophobicContact CG-CG 4.1Å; L577-Y703 CarbonylContact C-O 3.54Å; L577-Y703 VanDerWaalsContact CA-O 3.29Å; L577-Y703 WeakPolarHBondContact CA-O 3.44Å; L578-Y703 HydrophobicContact CB-CD2 4.44Å; L578-Y703 HydrophobicContact CD2-CD2 4.11Å; L578-Y703 HydrophobicContact CG-CD2 4.49Å; L578-Y703 PolarHBondContact N-O 3.27Å; L578-Y703 PolarHBondContact O-N 2.9Å; D580-Y703 HydrophobicContact CB-CE2 4.06Å; I701-Y703 HydrophobicContact CB-CE2 3.93Å; I701-Y703 HydrophobicContact CG2-CD1 4.41Å; I701-Y703 HydrophobicContact CG2-CD2 3.95Å; I701-Y703 HydrophobicContact CG2-CE1 3.97Å; I701-Y703 HydrophobicContact CG2-CE2 3.45Å; I701-Y703 VanDerWaalsContact CG2-CE2 3.45Å; I701-Y703 HydrophobicContact CG2-CG 4.4Å; I701-Y703 VanDerWaalsContact CG2-CZ 3.47Å; Y703-Q707 CarbonylContact C-O 3.58Å; Y703-Q707 WeakPolarHBondContact CA-O 3.46Å; Y703-P708 HydrophobicContact CD1-CB 3.97Å; Y703-P708 HydrophobicContact CE1-CB 4.07Å
704	L	95	Very high	92.7	Very high	8 Å²	8	38 Å²	38	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	166	-177.3	66.9	0	0	0	107.8	P572 Q576 L577 I678 K706 Q707 I709	P572-L704 HydrophobicContact CB-CD2 3.91Å; Q576-L704 CarbonylContact O-C 3.59Å; Q576-L704 WeakPolarHBondContact O-CA 3.34Å; L577-L704 HydrophobicContact CD2-CB 4.15Å; L577-L704 HydrophobicContact CD2-CD1 3.69Å; L577-L704 HydrophobicContact CD2-CG 4.48Å; L577-L704 HydrophobicContact CG-CD1 3.96Å; I678-L704 HydrophobicContact CD1-CD1 4.01Å; I678-L704 HydrophobicContact CD1-CD2 4.15Å; L704-K706 PolarHBondContact O-N 2.99Å; L704-K706 VanDerWaalsContact O-N 3.11Å; L704-Q707 PolarHBondContact N-O 3.29Å; L704-Q707 PolarHBondContact O-N 3.41Å; L704-I709 HydrophobicContact CB-CD1 3.95Å; L704-I709 HydrophobicContact CB-CG1 4.23Å; L704-I709 HydrophobicContact CB-CG2 3.69Å
705	D	92.4	Very high	92.6	Very high	68 Å²	68	37 Å²	37	36%	0.364	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	43.3	-176	-63.4	-17.2	0	0	0	112.7	G574 H575 Q576 Q707	G574-D705 WeakPolarHBondContact CA-OD2 3.41Å; H575-D705 PolarHBondContact N-OD1 2.99Å; H575-D705 VanDerWaalsContact N-OD1 3.16Å; H575-D705 PolarHBondContact N-OD2 3.38Å; Q576-D705 WeakPolarHBondContact CB-OD1 3.2Å; Q576-D705 PolarHBondContact N-OD1 3.46Å; Q576-D705 PolarHBondContact O-N 3.39Å; D705-Q707 VanDerWaalsContact C-N 3.26Å; D705-Q707 PolarHBondContact O-N 2.94Å
706	K	89.5	Confident	92.5	Very high	126 Å²	126	39.5 Å²	39.5	55%	0.548	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-4.2	-176.8	-49.5	178.7	-178	-174.4	0	116.5	P558 L704	P558-K706 HydrophobicContact CG-CB 4.31Å; L704-K706 PolarHBondContact O-N 2.99Å; L704-K706 VanDerWaalsContact O-N 3.11Å
707	Q	88.9	Confident	92.4	Very high	135 Å²	135	39.6 Å²	39.6	63%	0.631	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.4	172.5	-60.6	-56	-35.1	0	0	110.9	Y703 L704 D705 I709	Y703-Q707 CarbonylContact C-O 3.58Å; Y703-Q707 WeakPolarHBondContact CA-O 3.46Å; L704-Q707 PolarHBondContact N-O 3.29Å; L704-Q707 PolarHBondContact O-N 3.41Å; D705-Q707 VanDerWaalsContact C-N 3.26Å; D705-Q707 PolarHBondContact O-N 2.94Å; Q707-I709 PolarHBondContact O-N 2.86Å
708	P	89.7	Confident	92.1	Very high	50 Å²	50	44 Å²	44	33%	0.325	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.8	176.8	27.8	-33.3	0	0	0	110.5	F566 I701 Y703	F566-P708 HydrophobicContact CD2-CB 4.46Å; F566-P708 HydrophobicContact CE2-CB 4.39Å; F566-P708 WeakPolarHBondContact CE2-O 3.35Å; I701-P708 HydrophobicContact CG2-CB 4.44Å; Y703-P708 HydrophobicContact CD1-CB 3.97Å; Y703-P708 HydrophobicContact CE1-CB 4.07Å
709	I	91.4	Very high	91.7	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-13.7	176	63.9	159.1	0	0	0	113.2	F566 P569 P572 L577 I681 I702 L704 Q707 F730	F566-I709 VanDerWaalsContact CZ-C 3.42Å; F566-I709 WeakPolarHBondContact CZ-O 3.31Å; P569-I709 WeakPolarHBondContact CD-O 3.25Å; P569-I709 HydrophobicContact CG-CB 4.06Å; P569-I709 HydrophobicContact CG-CG2 4Å; P572-I709 HydrophobicContact CB-CG2 4.32Å; L577-I709 HydrophobicContact CD2-CD1 3.76Å; I681-I709 HydrophobicContact CD1-CD1 4.35Å; I702-I709 HydrophobicContact CB-CG1 4.15Å; I702-I709 HydrophobicContact CG2-CD1 4.1Å; I702-I709 HydrophobicContact CG2-CG1 3.98Å; I702-I709 WeakPolarHBondContact O-CG1 3.5Å; I702-I709 PolarHBondContact O-N 3.06Å; L704-I709 HydrophobicContact CB-CD1 3.95Å; L704-I709 HydrophobicContact CB-CG1 4.23Å; L704-I709 HydrophobicContact CB-CG2 3.69Å; Q707-I709 PolarHBondContact O-N 2.86Å; I709-F730 HydrophobicContact CB-CE1 4.09Å; I709-F730 HydrophobicContact CD1-CE1 3.99Å; I709-F730 HydrophobicContact CD1-CZ 3.74Å; I709-F730 HydrophobicContact CG1-CE1 4.32Å; I709-F730 HydrophobicContact CG1-CZ 4.35Å; I709-F730 WeakPolarHBondContact O-CE1 3.26Å
710	F	92	Very high	91.4	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.2	169.4	175.2	-97.8	0	0	0	110.7	I568 M700 I701 I702 I714 I728	I568-F710 HydrophobicContact CD1-CD2 4.32Å; M700-F710 HydrophobicContact CG-CD1 4.32Å; M700-F710 HydrophobicContact CG-CE1 4.17Å; I701-F710 CarbonylContact C-O 3.54Å; I701-F710 WeakPolarHBondContact CA-O 3.48Å; I701-F710 WeakPolarHBondContact CG2-O 3.02Å; I702-F710 HydrophobicContact CB-CB 4.03Å; I702-F710 HydrophobicContact CD1-CB 4Å; I702-F710 HydrophobicContact CD1-CD1 4.04Å; I702-F710 HydrophobicContact CD1-CG 4.27Å; I702-F710 HydrophobicContact CG1-CB 4.06Å; I702-F710 HydrophobicContact CG1-CD1 4.05Å; I702-F710 HydrophobicContact CG1-CG 4.49Å; I702-F710 PolarHBondContact N-O 2.96Å; I702-F710 PolarHBondContact O-N 3.09Å; I702-F710 VanDerWaalsContact O-N 3.14Å; F710-I714 HydrophobicContact CE1-CD1 3.92Å; F710-I714 HydrophobicContact CZ-CD1 4.14Å; F710-I728 HydrophobicContact CB-CD1 4.42Å; F710-I728 HydrophobicContact CB-CG2 4.17Å; F710-I728 HydrophobicContact CD1-CD1 3.8Å; F710-I728 HydrophobicContact CD2-CB 4.43Å; F710-I728 HydrophobicContact CD2-CD1 3.89Å; F710-I728 HydrophobicContact CD2-CG1 4.01Å; F710-I728 HydrophobicContact CD2-CG2 3.57Å; F710-I728 HydrophobicContact CE1-CD1 3.92Å; F710-I728 HydrophobicContact CE2-CD1 4Å; F710-I728 HydrophobicContact CE2-CG1 3.91Å; F710-I728 HydrophobicContact CE2-CG2 4.2Å; F710-I728 HydrophobicContact CG-CD1 3.77Å; F710-I728 HydrophobicContact CG-CG1 4.39Å; F710-I728 HydrophobicContact CG-CG2 4.05Å; F710-I728 HydrophobicContact CZ-CD1 4.01Å; F710-I728 HydrophobicContact CZ-CG1 4.23Å
711	Y	89.3	Confident	90.8	Very high	92 Å²	92	47.4 Å²	47.4	36%	0.361	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	127	162.8	170.2	-128.4	0	0	0	108.5	I563 I582 I701	I563-Y711 HydrophobicContact CB-CD1 3.71Å; I563-Y711 HydrophobicContact CB-CE1 4.01Å; I563-Y711 HydrophobicContact CB-CG 4.37Å; I563-Y711 HydrophobicContact CD1-CD1 4.03Å; I563-Y711 HydrophobicContact CD1-CD2 4.18Å; I563-Y711 HydrophobicContact CD1-CG 3.79Å; I563-Y711 HydrophobicContact CG1-CD1 4.37Å; I563-Y711 HydrophobicContact CG2-CD1 3.66Å; I563-Y711 HydrophobicContact CG2-CE1 4.42Å; I563-Y711 HydrophobicContact CG2-CG 4.2Å; I582-Y711 HydrophobicContact CD1-CD2 4.2Å; I582-Y711 HydrophobicContact CD1-CE2 3.65Å; I701-Y711 HydrophobicContact CG1-CD2 3.52Å; I701-Y711 HydrophobicContact CG1-CE2 4.19Å; I701-Y711 HydrophobicContact CG1-CG 4.21Å
712	G	87.1	Confident	90.1	Very high	17 Å²	17	51.7 Å²	51.7	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-170.3	-179.4	0	0	0	0	0	114.6	E699 M700	E699-G712 WeakPolarHBondContact CA-O 3.48Å; M700-G712 PolarHBondContact N-O 3.12Å; M700-G712 VanDerWaalsContact N-O 3.11Å; M700-G712 PolarHBondContact O-N 3.34Å
713	E	91.2	Very high	89.2	Confident	88 Å²	88	55 Å²	55	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.4	178.6	-62	-173.1	153	0	0	112.6	R26 K698 E699	R26-E713 PolarHBondContact NH2-O 3.29Å; K698-E713 IonicContact NZ-OE1 2.9Å; K698-E713 PolarHBondContact NZ-OE1 3.46Å; K698-E713 CarbonylContact O-C 3.45Å; K698-E713 WeakPolarHBondContact O-CA 3.37Å; E699-E713 HydrophobicContact CG-CG 4.07Å
714	I	93.8	Very high	88.8	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-99	130.4	173.8	-54.9	-53.3	0	0	0	108.7	W585 I683 N685 V697 K698 M700 F710 K716 E726 I728	W585-I714 VanDerWaalsContact CZ2-O 3.31Å; W585-I714 WeakPolarHBondContact CZ2-O 3.39Å; W585-I714 PolarHBondContact NE1-O 3.19Å; I683-I714 HydrophobicContact CB-CG2 4.45Å; I683-I714 HydrophobicContact CD1-CD1 4.03Å; I683-I714 HydrophobicContact CG2-CG2 3.98Å; N685-I714 HydrophobicContact CB-CG2 4.36Å; V697-I714 HydrophobicContact CG1-CG1 4.25Å; K698-I714 PolarHBondContact O-N 3.46Å; M700-I714 HydrophobicContact CG-CD1 4.25Å; M700-I714 HydrophobicContact CG-CG1 4.15Å; M700-I714 HydrophobicContact SD-CD1 3.77Å; M700-I714 HydrophobicContact SD-CG1 3.67Å; F710-I714 HydrophobicContact CE1-CD1 3.92Å; F710-I714 HydrophobicContact CZ-CD1 4.14Å; I714-K716 PolarHBondContact O-N 3.48Å; I714-E726 HydrophobicContact CD1-CB 4.3Å; I714-E726 HydrophobicContact CD1-CG 3.96Å; I714-E726 HydrophobicContact CG2-CB 3.92Å; I714-I728 HydrophobicContact CD1-CD1 4.41Å
715	N	91.8	Very high	88.5	Confident	52 Å²	52	54.8 Å²	54.8	28%	0.278	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-52.3	139	-179.7	-72.7	-34.5	0	0	0	112.2	R22 N685 S725 E726	R22-N715 VanDerWaalsContact NH2-CG 3.31Å; R22-N715 PolarHBondContact NH2-ND2 2.81Å; R22-N715 VanDerWaalsContact NH2-ND2 3.18Å; R22-N715 PolarHBondContact NH2-OD1 2.81Å; N685-N715 WeakPolarHBondContact CB-O 2.92Å; N685-N715 PolarHBondContact ND2-O 2.93Å; N715-S725 PolarHBondContact ND2-O 3.39Å; N715-E726 PolarHBondContact ND2-OE2 3.05Å; N715-E726 PolarHBondContact OD1-OE2 2.86Å
716	K	94.2	Very high	88.5	Confident	70 Å²	70	51.8 Å²	51.8	30%	0.304	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-66.7	134.8	170	-162.1	-177.7	174.2	-121.7	0	109.9	W585 S693 I714	W585-K716 HydrophobicContact CB-CD 3.97Å; W585-K716 HydrophobicContact CB-CG 3.87Å; W585-K716 HydrophobicContact CD2-CB 3.55Å; W585-K716 HydrophobicContact CD2-CD 4Å; W585-K716 HydrophobicContact CD2-CG 3.74Å; W585-K716 HydrophobicContact CE3-CB 4.03Å; W585-K716 HydrophobicContact CE3-CD 4.02Å; W585-K716 HydrophobicContact CE3-CG 4.24Å; W585-K716 HydrophobicContact CG-CB 3.82Å; W585-K716 HydrophobicContact CG-CD 3.98Å; W585-K716 HydrophobicContact CG-CG 3.54Å; W585-K716 HydrophobicContact CH2-CB 4.47Å; W585-K716 HydrophobicContact CZ2-CB 4.05Å; W585-K716 HydrophobicContact CZ3-CB 4.46Å; S693-K716 WeakPolarHBondContact O-CE 3.24Å; S693-K716 VanDerWaalsContact OG-CE 3.23Å; S693-K716 WeakPolarHBondContact OG-CE 3.35Å; S693-K716 PolarHBondContact OG-NZ 3.31Å; I714-K716 PolarHBondContact O-N 3.48Å
717	A	93.5	Very high	88.6	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.017	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.3	154	168.3	0	0	0	0	0	111.9	N685 Y686 N687 S693 Y724	N685-A717 HydrophobicContact CB-CB 4.22Å; Y686-A717 WeakPolarHBondContact O-CB 3.32Å; N687-A717 HydrophobicContact CB-CB 4Å; N687-A717 WeakPolarHBondContact OD1-CB 3.34Å; S693-A717 WeakPolarHBondContact CB-O 3.47Å; A717-Y724 HydrophobicContact CB-CD2 4.11Å; A717-Y724 HydrophobicContact CB-CG 4.07Å
718	Q	90.3	Very high	88.8	Confident	92 Å²	92	40.3 Å²	40.3	43%	0.43	21%	0.205	S	C	.	.			trans	-90.3	-20.2	179.9	-66.1	-164.4	74.9	0	0	112.9	L690 I720 E722	L690-Q718 VanDerWaalsContact CD1-O 3.27Å; L690-Q718 WeakPolarHBondContact CD1-O 3.5Å; Q718-I720 HydrophobicContact CB-CD1 4.17Å; Q718-I720 HydrophobicContact CB-CG1 3.63Å; Q718-E722 PolarHBondContact NE2-OE2 2.74Å
719	G	87.4	Confident	88.9	Confident	11 Å²	11	39.3 Å²	39.3	11%	0.113	20%	0.196	C	C	.	.	S	Bend	trans	84.1	21.4	-173.2	0	0	0	0	0	114	N687	N687-G719 WeakPolarHBondContact O-CA 3.5Å; N687-G719 VanDerWaalsContact OD1-CA 3.23Å; N687-G719 WeakPolarHBondContact OD1-CA 3.34Å; N687-G719 PolarHBondContact OD1-N 3.4Å
720	I	86.7	Confident	89	Confident	75 Å²	75	39.2 Å²	39.2	39%	0.385	20%	0.196	S	C	.	.	S	Bend	trans	-143	164.5	-178.5	54.7	173.5	0	0	0	109.1	N687 Q718 E722	N687-I720 PolarHBondContact ND2-O 2.97Å; N687-I720 PolarHBondContact OD1-N 3.22Å; N687-I720 PolarHBondContact OD1-O 2.9Å; Q718-I720 HydrophobicContact CB-CD1 4.17Å; Q718-I720 HydrophobicContact CB-CG1 3.63Å; I720-E722 VanDerWaalsContact C-N 3.29Å; I720-E722 HydrophobicContact CD1-CG 3.87Å; I720-E722 WeakPolarHBondContact CD1-OE1 3.37Å; I720-E722 HydrophobicContact CG1-CB 4.5Å; I720-E722 HydrophobicContact CG1-CG 4.12Å; I720-E722 PolarHBondContact O-N 2.91Å
721	I	82.8	Confident	88.7	Confident	83 Å²	83	39.1 Å²	39.1	43%	0.426	20%	0.196	S	C	.	.	S	Bend	trans	-83.2	74.8	-178.2	-58	-65	0	0	0	109.9	Y646 T647 C648	Y646-I721 HydrophobicContact CD1-CG2 3.87Å; Y646-I721 HydrophobicContact CE1-CG2 3.21Å; Y646-I721 HydrophobicContact CE2-CG2 4.28Å; Y646-I721 VanDerWaalsContact CZ-CG2 3.46Å; Y646-I721 PolarHBondContact OH-O 3.5Å; T647-I721 VanDerWaalsContact C-CD1 3.43Å; C648-I721 HydrophobicContact CB-CD1 4.3Å; C648-I721 WeakPolarHBondContact SG-CD1 3.21Å
722	E	77.2	Confident	88.5	Confident	93 Å²	93	39.2 Å²	39.2	44%	0.435	21%	0.206	S	C	.	.	S	Bend	trans	-128.6	-175.7	170.7	-67.9	-171.5	-177.9	0	0	109.5	Y646 Q718 I720 Y724	Y646-E722 WeakPolarHBondContact CE2-O 3.17Å; Q718-E722 PolarHBondContact NE2-OE2 2.74Å; I720-E722 VanDerWaalsContact C-N 3.29Å; I720-E722 HydrophobicContact CD1-CG 3.87Å; I720-E722 WeakPolarHBondContact CD1-OE1 3.37Å; I720-E722 HydrophobicContact CG1-CB 4.5Å; I720-E722 HydrophobicContact CG1-CG 4.12Å; I720-E722 PolarHBondContact O-N 2.91Å; E722-Y724 WeakPolarHBondContact O-CD1 3.11Å; E722-Y724 PolarHBondContact O-N 3.45Å; E722-Y724 VanDerWaalsContact O-N 3.12Å
723	D	76.2	Confident	88.4	Confident	70 Å²	70	41.6 Å²	41.6	37%	0.374	22%	0.215	S	C	.	.			trans	-77.4	99.7	174.2	-160.5	-19.6	0	0	0	111.7	S725 K750	D723-S725 WeakPolarHBondContact OD1-CB 3.49Å; D723-S725 PolarHBondContact OD1-N 3.32Å; D723-S725 PolarHBondContact OD1-OG 2.83Å; D723-K750 IonicContact OD2-NZ 2.71Å; D723-K750 PolarHBondContact OD2-NZ 3.02Å
724	Y	84.1	Confident	88.2	Confident	6 Å²	6	41 Å²	41	2%	0.024	21%	0.214	C	C	.	.			trans	-104.8	18.8	171.8	56.8	-91.1	0	0	0	113.1	T594 N645 T647 W684 N685 N687 A717 E722	T594-Y724 HydrophobicContact CG2-CE2 4.43Å; N645-Y724 PolarHBondContact O-OH 3.36Å; T647-Y724 PolarHBondContact N-OH 2.95Å; T647-Y724 PolarHBondContact O-OH 3.16Å; W684-Y724 HydrophobicContact CB-CE2 4.12Å; W684-Y724 HydrophobicContact CD2-CE2 4.5Å; W684-Y724 AromaticContact CE3-CD2 3.99Å; W684-Y724 HydrophobicContact CE3-CD2 3.99Å; W684-Y724 HydrophobicContact CE3-CE1 4.45Å; W684-Y724 AromaticContact CE3-CE2 3.61Å; W684-Y724 HydrophobicContact CE3-CE2 3.61Å; W684-Y724 AromaticContact CE3-CZ 3.87Å; W684-Y724 HydrophobicContact CZ3-CE1 4.47Å; W684-Y724 HydrophobicContact CZ3-CE2 4.38Å; N685-Y724 WeakPolarHBondContact O-CD2 3.43Å; N685-Y724 WeakPolarHBondContact O-CE2 3.41Å; N687-Y724 HydrophobicContact CB-CD1 4.14Å; N687-Y724 HydrophobicContact CB-CD2 3.93Å; N687-Y724 HydrophobicContact CB-CE1 3.84Å; N687-Y724 HydrophobicContact CB-CE2 3.58Å; N687-Y724 HydrophobicContact CB-CG 4.2Å; N687-Y724 VanDerWaalsContact CG-CD1 3.49Å; N687-Y724 WeakPolarHBondContact ND2-CD1 3.31Å; N687-Y724 WeakPolarHBondContact ND2-CE1 3.34Å; A717-Y724 HydrophobicContact CB-CD2 4.11Å; A717-Y724 HydrophobicContact CB-CG 4.07Å; E722-Y724 WeakPolarHBondContact O-CD1 3.11Å; E722-Y724 PolarHBondContact O-N 3.45Å; E722-Y724 VanDerWaalsContact O-N 3.12Å
725	S	89.9	Confident	87.8	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.7	177.1	73.2	0	0	0	0	112.2	I683 N715 D723	I683-S725 WeakPolarHBondContact O-CA 3.43Å; N715-S725 PolarHBondContact ND2-O 3.39Å; D723-S725 WeakPolarHBondContact OD1-CB 3.49Å; D723-S725 PolarHBondContact OD1-N 3.32Å; D723-S725 PolarHBondContact OD1-OG 2.83Å
726	E	91.9	Very high	87.5	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.6	160.8	-179.4	66	-162.5	0	0	108.1	R22 R26 R682 I683 I714 N715	R22-E726 IonicContact CZ-OE2 2.61Å; R22-E726 IonicContact NH2-OE1 3.37Å; R22-E726 IonicContact NH2-OE2 2.7Å; R22-E726 PolarHBondContact NH2-OE2 3.18Å; R26-E726 IonicContact CZ-OE1 2.71Å; R26-E726 IonicContact NH1-OE1 3.45Å; R26-E726 PolarHBondContact NH1-OE1 2.98Å; R26-E726 IonicContact NH2-OE1 3.29Å; R26-E726 PolarHBondContact NH2-OE1 3.22Å; R26-E726 IonicContact NH2-OE2 2.93Å; R682-E726 CarbonylContact C-O 3.56Å; R682-E726 WeakPolarHBondContact CA-O 3.31Å; I683-E726 PolarHBondContact N-O 2.94Å; I683-E726 PolarHBondContact O-N 3.47Å; I714-E726 HydrophobicContact CD1-CB 4.3Å; I714-E726 HydrophobicContact CD1-CG 3.96Å; I714-E726 HydrophobicContact CG2-CB 3.92Å; N715-E726 PolarHBondContact ND2-OE2 3.05Å; N715-E726 PolarHBondContact OD1-OE2 2.86Å
727	I	91.8	Very high	87.1	Confident	15 Å²	15	41.5 Å²	41.5	8%	0.077	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.2	-175.8	-77.3	165.2	0	0	0	109.4	Y15 L19 L680 R682	Y15-I727 WeakPolarHBondContact OH-CD1 3.44Å; L19-I727 HydrophobicContact CD1-CG2 4.27Å; L680-I727 HydrophobicContact CD1-CG2 3.59Å; L680-I727 HydrophobicContact CD2-CG2 4.41Å; L680-I727 HydrophobicContact CG-CG2 3.94Å; R682-I727 HydrophobicContact CB-CG1 4.15Å; R682-I727 HydrophobicContact CG-CD1 4.33Å; R682-I727 HydrophobicContact CG-CG1 3.74Å
728	I	92.9	Very high	86.6	Confident	4 Å²	4	45 Å²	45	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	96.9	179	-54	171.8	0	0	0	106.5	L680 I681 I683 I702 F710 I714 F730	L680-I728 WeakPolarHBondContact CA-O 3.39Å; I681-I728 HydrophobicContact CB-CB 4.46Å; I681-I728 PolarHBondContact N-O 2.99Å; I681-I728 PolarHBondContact O-N 2.91Å; I683-I728 HydrophobicContact CD1-CD1 3.79Å; I683-I728 HydrophobicContact CG1-CD1 4.38Å; I702-I728 HydrophobicContact CD1-CD1 3.43Å; I702-I728 VanDerWaalsContact CD1-CD1 3.43Å; F710-I728 HydrophobicContact CB-CD1 4.42Å; F710-I728 HydrophobicContact CB-CG2 4.17Å; F710-I728 HydrophobicContact CD1-CD1 3.8Å; F710-I728 HydrophobicContact CD2-CB 4.43Å; F710-I728 HydrophobicContact CD2-CD1 3.89Å; F710-I728 HydrophobicContact CD2-CG1 4.01Å; F710-I728 HydrophobicContact CD2-CG2 3.57Å; F710-I728 HydrophobicContact CE1-CD1 3.92Å; F710-I728 HydrophobicContact CE2-CD1 4Å; F710-I728 HydrophobicContact CE2-CG1 3.91Å; F710-I728 HydrophobicContact CE2-CG2 4.2Å; F710-I728 HydrophobicContact CG-CD1 3.77Å; F710-I728 HydrophobicContact CG-CG1 4.39Å; F710-I728 HydrophobicContact CG-CG2 4.05Å; F710-I728 HydrophobicContact CZ-CD1 4.01Å; F710-I728 HydrophobicContact CZ-CG1 4.23Å; I714-I728 HydrophobicContact CD1-CD1 4.41Å; I728-F730 HydrophobicContact CB-CE2 4.31Å; I728-F730 HydrophobicContact CB-CZ 4.41Å; I728-F730 HydrophobicContact CG2-CE1 4.07Å; I728-F730 HydrophobicContact CG2-CE2 3.74Å; I728-F730 HydrophobicContact CG2-CZ 3.43Å; I728-F730 VanDerWaalsContact CG2-CZ 3.43Å; I728-F730 WeakPolarHBondContact O-CD2 3.33Å; I728-F730 WeakPolarHBondContact O-CE2 3.34Å
729	L	92.2	Very high	86.4	Confident	29 Å²	29	43.8 Å²	43.8	15%	0.152	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.7	-175.9	179.2	62.2	0	0	0	110.7	L19 L680 C731 L737	L19-L729 HydrophobicContact CD1-CD2 4.23Å; L680-L729 HydrophobicContact CB-CD1 4.36Å; L680-L729 HydrophobicContact CD1-CD1 4.25Å; L729-C731 HydrophobicContact CD1-CB 4.2Å; L729-C731 WeakPolarHBondContact CD1-O 3.02Å; L729-C731 WeakPolarHBondContact CD2-O 3.02Å; L729-C731 WeakPolarHBondContact CG-O 3.47Å; L729-L737 HydrophobicContact CD1-CD2 3.72Å; L729-L737 HydrophobicContact CD2-CD2 4.33Å
730	F	92.2	Very high	86.3	Confident	5 Å²	5	43.5 Å²	43.5	2%	0.022	23%	0.23	C	C	.	.			trans	-110	9.8	177.8	-55.6	-84.9	0	0	0	112.7	I568 P569 E570 L571 P572 I678 A679 I681 I709 I728	I568-F730 HydrophobicContact CG2-CD1 3.63Å; I568-F730 HydrophobicContact CG2-CE1 3.85Å; P569-F730 HydrophobicContact CG-CD1 4.35Å; P569-F730 WeakPolarHBondContact O-CD1 3.46Å; E570-F730 CarbonylContact C-O 3.55Å; E570-F730 WeakPolarHBondContact CA-O 3.48Å; L571-F730 PolarHBondContact N-O 2.86Å; P572-F730 HydrophobicContact CG-CB 4.28Å; P572-F730 HydrophobicContact CG-CD1 3.75Å; P572-F730 HydrophobicContact CG-CE1 4.25Å; P572-F730 HydrophobicContact CG-CG 4.01Å; I678-F730 HydrophobicContact CG2-CD2 4.07Å; I678-F730 HydrophobicContact CG2-CE2 4.24Å; A679-F730 WeakPolarHBondContact O-CA 3.39Å; A679-F730 PolarHBondContact O-N 3.49Å; I681-F730 HydrophobicContact CB-CE2 4.09Å; I681-F730 HydrophobicContact CD1-CE2 3.88Å; I681-F730 HydrophobicContact CD1-CZ 4.22Å; I681-F730 HydrophobicContact CG1-CE2 3.83Å; I709-F730 HydrophobicContact CB-CE1 4.09Å; I709-F730 HydrophobicContact CD1-CE1 3.99Å; I709-F730 HydrophobicContact CD1-CZ 3.74Å; I709-F730 HydrophobicContact CG1-CE1 4.32Å; I709-F730 HydrophobicContact CG1-CZ 4.35Å; I709-F730 WeakPolarHBondContact O-CE1 3.26Å; I728-F730 HydrophobicContact CB-CE2 4.31Å; I728-F730 HydrophobicContact CB-CZ 4.41Å; I728-F730 HydrophobicContact CG2-CE1 4.07Å; I728-F730 HydrophobicContact CG2-CE2 3.74Å; I728-F730 HydrophobicContact CG2-CZ 3.43Å; I728-F730 VanDerWaalsContact CG2-CZ 3.43Å; I728-F730 WeakPolarHBondContact O-CD2 3.33Å; I728-F730 WeakPolarHBondContact O-CE2 3.34Å
731	C	86.1	Confident	86	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.22	C	C	.	.			trans	-134.7	132.4	-173.4	-174	0	0	0	0	111.2	L571 A679 L729 N733 I736	L571-C731 HydrophobicContact CD2-CB 3.74Å; L571-C731 HydrophobicContact CG-CB 4.47Å; A679-C731 HydrophobicContact CB-CB 4.07Å; A679-C731 PolarHBondContact O-N 3.13Å; L729-C731 HydrophobicContact CD1-CB 4.2Å; L729-C731 WeakPolarHBondContact CD1-O 3.02Å; L729-C731 WeakPolarHBondContact CD2-O 3.02Å; L729-C731 WeakPolarHBondContact CG-O 3.47Å; C731-N733 PolarHBondContact SG-N 2.74Å; C731-N733 VanDerWaalsContact SG-N 3.4Å; C731-I736 HydrophobicContact CB-CG2 4.43Å
732	T	84.9	Confident	85.8	Confident	95 Å²	95	42.6 Å²	42.6	58%	0.583	23%	0.228	S	C	*	.			trans	-100.3	-8.5	171.9	65.7	0	0	0	0	114.1	E570 N734	E570-T732 WeakPolarHBondContact OE1-CB 3.44Å; E570-T732 WeakPolarHBondContact OE1-CG2 3.44Å; E570-T732 PolarHBondContact OE1-N 2.6Å; E570-T732 PolarHBondContact OE1-OG1 3.04Å; T732-N734 PolarHBondContact O-N 3.13Å
733	N	84.8	Confident	85.7	Confident	67 Å²	67	41.6 Å²	41.6	36%	0.358	23%	0.225	S	C	.	.			trans	-77.9	118.4	-176.5	-176.2	-2.5	0	0	0	112.3	C731 D735 I736 L737	C731-N733 PolarHBondContact SG-N 2.74Å; C731-N733 VanDerWaalsContact SG-N 3.4Å; N733-D735 VanDerWaalsContact C-N 3.26Å; N733-D735 PolarHBondContact O-N 2.68Å; N733-D735 PolarHBondContact OD1-N 3.41Å; N733-I736 HydrophobicContact CB-CB 4.48Å; N733-I736 HydrophobicContact CB-CD1 4.2Å; N733-I736 HydrophobicContact CB-CG1 4.36Å; N733-I736 PolarHBondContact O-N 2.82Å; N733-L737 WeakPolarHBondContact O-CB 3.12Å; N733-L737 WeakPolarHBondContact O-CG 3.44Å; N733-L737 PolarHBondContact O-N 3.29Å; N733-L737 VanDerWaalsContact O-N 3.08Å
734	N	86.8	Confident	86.1	Confident	74 Å²	74	38.3 Å²	38.3	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-55.9	-33.7	176.5	-72.7	5.7	0	0	0	113.5	T732 L737 N738	T732-N734 PolarHBondContact O-N 3.13Å; N734-L737 PolarHBondContact O-N 2.76Å; N734-N738 WeakPolarHBondContact O-CB 3.48Å; N734-N738 PolarHBondContact O-N 3.43Å; N734-N738 PolarHBondContact O-ND2 3.06Å
735	D	86.2	Confident	85.7	Confident	109 Å²	109	42.1 Å²	42.1	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-67.4	-44.4	-178.8	-60.8	-35.8	0	0	0	111.6	N733 N738 L739	N733-D735 VanDerWaalsContact C-N 3.26Å; N733-D735 PolarHBondContact O-N 2.68Å; N733-D735 PolarHBondContact OD1-N 3.41Å; D735-N738 PolarHBondContact O-N 3.32Å; D735-L739 WeakPolarHBondContact O-CG 3.45Å; D735-L739 PolarHBondContact O-N 3.06Å
736	I	84.9	Confident	85	Confident	22 Å²	22	42.2 Å²	42.2	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-42.3	175.8	-65.7	175.1	0	0	0	110	L571 A679 C731 N733 N738 L739 I740	L571-I736 HydrophobicContact CD1-CD1 3.96Å; L571-I736 HydrophobicContact CD2-CD1 4.43Å; A679-I736 HydrophobicContact CB-CG2 3.81Å; C731-I736 HydrophobicContact CB-CG2 4.43Å; N733-I736 HydrophobicContact CB-CB 4.48Å; N733-I736 HydrophobicContact CB-CD1 4.2Å; N733-I736 HydrophobicContact CB-CG1 4.36Å; N733-I736 PolarHBondContact O-N 2.82Å; I736-N738 VanDerWaalsContact C-N 3.33Å; I736-N738 PolarHBondContact O-N 2.92Å; I736-L739 PolarHBondContact O-N 3.01Å; I736-I740 HydrophobicContact CG2-CD1 4.12Å; I736-I740 WeakPolarHBondContact O-CG1 3.13Å; I736-I740 PolarHBondContact O-N 2.71Å
737	L	86.7	Confident	83.9	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-41.4	175.7	-78.9	167.4	0	0	0	111.9	Y12 L16 L729 N733 N734 I740 G741	Y12-L737 HydrophobicContact CE1-CB 4.4Å; Y12-L737 WeakPolarHBondContact OH-CB 3.42Å; Y12-L737 PolarHBondContact OH-O 3.01Å; L16-L737 HydrophobicContact CD1-CD1 3.96Å; L16-L737 HydrophobicContact CD2-CD1 3.86Å; L16-L737 HydrophobicContact CD2-CD2 4.01Å; L16-L737 HydrophobicContact CD2-CG 4.46Å; L729-L737 HydrophobicContact CD1-CD2 3.72Å; L729-L737 HydrophobicContact CD2-CD2 4.33Å; N733-L737 WeakPolarHBondContact O-CB 3.12Å; N733-L737 WeakPolarHBondContact O-CG 3.44Å; N733-L737 PolarHBondContact O-N 3.29Å; N733-L737 VanDerWaalsContact O-N 3.08Å; N734-L737 PolarHBondContact O-N 2.76Å; L737-I740 PolarHBondContact O-N 2.79Å; L737-G741 PolarHBondContact O-N 3.31Å
738	N	83.2	Confident	82.7	Confident	74 Å²	74	47.7 Å²	47.7	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-41.5	174.1	-72.3	-22.6	0	0	0	112.3	N734 D735 I736 I740 G741 Q742	N734-N738 WeakPolarHBondContact O-CB 3.48Å; N734-N738 PolarHBondContact O-N 3.43Å; N734-N738 PolarHBondContact O-ND2 3.06Å; D735-N738 PolarHBondContact O-N 3.32Å; I736-N738 VanDerWaalsContact C-N 3.33Å; I736-N738 PolarHBondContact O-N 2.92Å; N738-I740 VanDerWaalsContact C-N 3.34Å; N738-I740 PolarHBondContact O-N 3.3Å; N738-G741 PolarHBondContact O-N 3.04Å; N738-Q742 VanDerWaalsContact O-CG 3.31Å; N738-Q742 WeakPolarHBondContact O-CG 3.48Å; N738-Q742 PolarHBondContact O-N 2.88Å
739	L	85	Confident	81.3	Confident	68 Å²	68	52.3 Å²	52.3	36%	0.356	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-38.4	174	-71.3	170.5	0	0	0	112.3	D735 I736 Q742 N743	D735-L739 WeakPolarHBondContact O-CG 3.45Å; D735-L739 PolarHBondContact O-N 3.06Å; I736-L739 PolarHBondContact O-N 3.01Å; L739-Q742 PolarHBondContact O-N 3.18Å; L739-N743 PolarHBondContact O-N 3.29Å; L739-N743 PolarHBondContact O-ND2 2.8Å
740	I	84.8	Confident	79.9	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-48.2	171.4	-68.8	167.7	0	0	0	110.1	F599 A679 L680 I736 L737 N738 Q742 N743 D744	F599-I740 HydrophobicContact CB-CD1 4.3Å; F599-I740 HydrophobicContact CB-CG1 4.21Å; F599-I740 HydrophobicContact CB-CG2 4.41Å; F599-I740 HydrophobicContact CD1-CG2 3.75Å; F599-I740 HydrophobicContact CE1-CG2 4.14Å; F599-I740 HydrophobicContact CG-CG2 4.13Å; A679-I740 HydrophobicContact CB-CD1 3.83Å; L680-I740 HydrophobicContact CB-CD1 4.23Å; I736-I740 HydrophobicContact CG2-CD1 4.12Å; I736-I740 WeakPolarHBondContact O-CG1 3.13Å; I736-I740 PolarHBondContact O-N 2.71Å; L737-I740 PolarHBondContact O-N 2.79Å; N738-I740 VanDerWaalsContact C-N 3.34Å; N738-I740 PolarHBondContact O-N 3.3Å; I740-Q742 VanDerWaalsContact C-N 3.25Å; I740-Q742 PolarHBondContact O-N 3.37Å; I740-N743 PolarHBondContact O-N 3.26Å; I740-D744 WeakPolarHBondContact O-CB 3.23Å; I740-D744 PolarHBondContact O-N 3.15Å
741	G	81.9	Confident	78.1	Confident	17 Å²	17	58.5 Å²	58.5	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-31.8	178	0	0	0	0	0	114	L737 N738 N743	L737-G741 PolarHBondContact O-N 3.31Å; N738-G741 PolarHBondContact O-N 3.04Å; G741-N743 VanDerWaalsContact C-N 3.28Å; G741-N743 PolarHBondContact O-N 3.12Å
742	Q	77.9	Confident	76.3	Confident	123 Å²	123	66.8 Å²	66.8	58%	0.575	34%	0.34	S	S	*	.	H	α-helix	trans	-71.5	-18.6	174.3	-72.6	169.2	29	0	0	113.7	N738 L739 I740 K748	N738-Q742 VanDerWaalsContact O-CG 3.31Å; N738-Q742 WeakPolarHBondContact O-CG 3.48Å; N738-Q742 PolarHBondContact O-N 2.88Å; L739-Q742 PolarHBondContact O-N 3.18Å; I740-Q742 VanDerWaalsContact C-N 3.25Å; I740-Q742 PolarHBondContact O-N 3.37Å; Q742-K748 WeakPolarHBondContact O-CE 3.23Å; Q742-K748 PolarHBondContact O-NZ 3.29Å
743	N	75.5	Confident	74.4	Confident	72 Å²	72	66.8 Å²	66.8	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-111.1	-21.5	-178.7	-70.7	-31.6	0	0	0	113.8	G603 L739 I740 G741 T745	G603-N743 VanDerWaalsContact C-ND2 3.31Å; G603-N743 VanDerWaalsContact O-CB 3.29Å; G603-N743 WeakPolarHBondContact O-CB 3.13Å; G603-N743 PolarHBondContact O-ND2 3.18Å; L739-N743 PolarHBondContact O-N 3.29Å; L739-N743 PolarHBondContact O-ND2 2.8Å; I740-N743 PolarHBondContact O-N 3.26Å; G741-N743 VanDerWaalsContact C-N 3.28Å; G741-N743 PolarHBondContact O-N 3.12Å; N743-T745 PolarHBondContact O-N 3.02Å
744	D	84.5	Confident	72.4	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	34%	0.341	C	S	.	.			trans	-68.4	110.6	179.5	-176.5	16.4	0	0	0	112.4	F599 R682 I740 L746 L747 K748	F599-D744 HydrophobicContact CE1-CB 3.99Å; F599-D744 HydrophobicContact CZ-CB 4.12Å; R682-D744 IonicContact CZ-OD1 3.62Å; R682-D744 IonicContact CZ-OD2 2.79Å; R682-D744 IonicContact NH1-OD1 3.67Å; R682-D744 PolarHBondContact NH1-OD1 3.25Å; R682-D744 IonicContact NH1-OD2 3.17Å; R682-D744 IonicContact NH2-OD1 2.59Å; R682-D744 IonicContact NH2-OD2 3.58Å; R682-D744 PolarHBondContact NH2-OD2 3.02Å; I740-D744 WeakPolarHBondContact O-CB 3.23Å; I740-D744 PolarHBondContact O-N 3.15Å; D744-L746 VanDerWaalsContact C-N 3.27Å; D744-L746 PolarHBondContact O-N 2.93Å; D744-L746 WeakPolarHBondContact OD1-CB 3.48Å; D744-L746 PolarHBondContact OD1-N 3.23Å; D744-L747 HydrophobicContact CB-CB 4.22Å; D744-L747 HydrophobicContact CB-CD1 4.17Å; D744-L747 HydrophobicContact CB-CG 4.43Å; D744-L747 PolarHBondContact O-N 3.48Å; D744-L747 VanDerWaalsContact OD2-CD1 3.29Å; D744-L747 WeakPolarHBondContact OD2-CD1 3.22Å; D744-L747 WeakPolarHBondContact OD2-CG 3.4Å; D744-K748 PolarHBondContact O-N 3.49Å
745	T	76.4	Confident	70.3	Confident	86 Å²	86	69 Å²	69	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-33	179.3	50.7	0	0	0	0	112.2	N743 K748 L749	N743-T745 PolarHBondContact O-N 3.02Å; T745-K748 PolarHBondContact O-N 3.33Å; T745-L749 WeakPolarHBondContact O-CG 3.02Å; T745-L749 PolarHBondContact O-N 3.4Å
746	L	74	Confident	68	Low	11 Å²	11	65.5 Å²	65.5	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-43.6	178.6	-174.5	73.8	0	0	0	111.9	Y646 W684 D744 K748 L749 K750	Y646-L746 HydrophobicContact CD2-CD1 3.87Å; Y646-L746 HydrophobicContact CE2-CD1 4.25Å; Y646-L746 HydrophobicContact CG-CD1 4.14Å; W684-L746 HydrophobicContact CH2-CD1 3.78Å; W684-L746 HydrophobicContact CH2-CD2 3.48Å; W684-L746 VanDerWaalsContact CH2-CD2 3.48Å; W684-L746 HydrophobicContact CH2-CG 4.19Å; W684-L746 HydrophobicContact CZ2-CD1 4.35Å; W684-L746 HydrophobicContact CZ2-CD2 3.76Å; W684-L746 HydrophobicContact CZ2-CG 4.48Å; D744-L746 VanDerWaalsContact C-N 3.27Å; D744-L746 PolarHBondContact O-N 2.93Å; D744-L746 WeakPolarHBondContact OD1-CB 3.48Å; D744-L746 PolarHBondContact OD1-N 3.23Å; L746-K748 VanDerWaalsContact C-N 3.35Å; L746-L749 PolarHBondContact O-N 3.3Å; L746-K750 HydrophobicContact CG-CD 4.27Å; L746-K750 WeakPolarHBondContact O-CB 3.43Å; L746-K750 WeakPolarHBondContact O-CG 3.43Å; L746-K750 PolarHBondContact O-N 3.11Å
747	L	69.9	Low	65.7	Low	37 Å²	37	70.2 Å²	70.2	19%	0.194	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-40.5	177.7	-81.2	171.2	0	0	0	111.2	Y12 D744 L749 K750 Q751	Y12-L747 HydrophobicContact CE2-CD1 4.42Å; D744-L747 HydrophobicContact CB-CB 4.22Å; D744-L747 HydrophobicContact CB-CD1 4.17Å; D744-L747 HydrophobicContact CB-CG 4.43Å; D744-L747 PolarHBondContact O-N 3.48Å; D744-L747 VanDerWaalsContact OD2-CD1 3.29Å; D744-L747 WeakPolarHBondContact OD2-CD1 3.22Å; D744-L747 WeakPolarHBondContact OD2-CG 3.4Å; L747-L749 PolarHBondContact O-N 3.5Å; L747-K750 PolarHBondContact O-N 2.91Å; L747-Q751 WeakPolarHBondContact O-CB 3.4Å; L747-Q751 VanDerWaalsContact O-CG 3.24Å; L747-Q751 WeakPolarHBondContact O-CG 3.44Å; L747-Q751 PolarHBondContact O-N 2.99Å
748	K	65.3	Low	63.5	Low	97 Å²	97	74.9 Å²	74.9	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-46.5	173.3	-67.8	172.3	-176.7	173.3	0	112.2	Q742 D744 T745 L746 Q751 Y752	Q742-K748 WeakPolarHBondContact O-CE 3.23Å; Q742-K748 PolarHBondContact O-NZ 3.29Å; D744-K748 PolarHBondContact O-N 3.49Å; T745-K748 PolarHBondContact O-N 3.33Å; L746-K748 VanDerWaalsContact C-N 3.35Å; K748-Q751 PolarHBondContact O-N 2.91Å; K748-Y752 PolarHBondContact O-N 3.11Å
749	L	63.4	Low	61.5	Low	102 Å²	102	74.7 Å²	74.7	53%	0.534	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-43.9	177.1	-72.7	168.1	0	0	0	112.1	T745 L746 L747 Y752 N753	T745-L749 WeakPolarHBondContact O-CG 3.02Å; T745-L749 PolarHBondContact O-N 3.4Å; L746-L749 PolarHBondContact O-N 3.3Å; L747-L749 PolarHBondContact O-N 3.5Å; L749-Y752 PolarHBondContact O-N 3.36Å; L749-N753 WeakPolarHBondContact O-CB 3.38Å; L749-N753 VanDerWaalsContact O-CG 3.28Å; L749-N753 PolarHBondContact O-N 2.99Å
750	K	63	Low	59.4	Low	64 Å²	64	75.6 Å²	75.6	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176.4	-74.7	176.4	177.4	176.6	0	112.3	D723 L746 L747 N753 Q754	D723-K750 IonicContact OD2-NZ 2.71Å; D723-K750 PolarHBondContact OD2-NZ 3.02Å; L746-K750 HydrophobicContact CG-CD 4.27Å; L746-K750 WeakPolarHBondContact O-CB 3.43Å; L746-K750 WeakPolarHBondContact O-CG 3.43Å; L746-K750 PolarHBondContact O-N 3.11Å; L747-K750 PolarHBondContact O-N 2.91Å; K750-N753 PolarHBondContact O-N 3.08Å; K750-Q754 WeakPolarHBondContact O-CB 3.37Å; K750-Q754 WeakPolarHBondContact O-CG 3.4Å; K750-Q754 PolarHBondContact O-N 3.44Å
751	Q	54.4	Low	57.2	Low	99 Å²	99	82 Å²	82	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-44.9	175.4	-74.5	168.5	-5	0	0	111.6	L747 K748 N753 Q754 V755	L747-Q751 WeakPolarHBondContact O-CB 3.4Å; L747-Q751 VanDerWaalsContact O-CG 3.24Å; L747-Q751 WeakPolarHBondContact O-CG 3.44Å; L747-Q751 PolarHBondContact O-N 2.99Å; K748-Q751 PolarHBondContact O-N 2.91Å; Q751-N753 VanDerWaalsContact C-N 3.35Å; Q751-N753 PolarHBondContact O-N 3.48Å; Q751-Q754 PolarHBondContact O-N 3.02Å; Q751-V755 WeakPolarHBondContact O-CG2 3.48Å; Q751-V755 PolarHBondContact O-N 2.84Å
752	Y	48.3	Very low	55.2	Low	177 Å²	177	90.4 Å²	90.4	69%	0.694	44%	0.443	S	S	*	.	H	α-helix	trans	-62.9	-40.6	177.3	-164.6	-91.2	0	0	0	112.4	K748 L749 S756	K748-Y752 PolarHBondContact O-N 3.11Å; L749-Y752 PolarHBondContact O-N 3.36Å; Y752-S756 WeakPolarHBondContact O-CB 3.46Å; Y752-S756 PolarHBondContact O-N 2.75Å; Y752-S756 PolarHBondContact O-OG 3.36Å
753	N	45.7	Very low	53.4	Low	95 Å²	95	90.6 Å²	90.6	51%	0.508	45%	0.447	S	S	.	.	H	α-helix	trans	-69.9	-32.8	176.3	-69.8	-7.6	0	0	0	112.7	L749 K750 Q751 S756 M757	L749-N753 WeakPolarHBondContact O-CB 3.38Å; L749-N753 VanDerWaalsContact O-CG 3.28Å; L749-N753 PolarHBondContact O-N 2.99Å; K750-N753 PolarHBondContact O-N 3.08Å; Q751-N753 VanDerWaalsContact C-N 3.35Å; Q751-N753 PolarHBondContact O-N 3.48Å; N753-S756 WeakPolarHBondContact CA-OG 3.49Å; N753-S756 PolarHBondContact O-OG 3.35Å; N753-M757 VanDerWaalsContact O-CG 3.22Å; N753-M757 WeakPolarHBondContact O-CG 3.17Å; N753-M757 PolarHBondContact O-N 3.5Å
754	Q	42.9	Very low	51.7	Low	98 Å²	98	94.7 Å²	94.7	46%	0.458	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-50.2	172.8	-78	177	-16.8	0	0	111.4	N11 K750 Q751 S756 M757 D758	N11-Q754 PolarHBondContact ND2-OE1 3.14Å; K750-Q754 WeakPolarHBondContact O-CB 3.37Å; K750-Q754 WeakPolarHBondContact O-CG 3.4Å; K750-Q754 PolarHBondContact O-N 3.44Å; Q751-Q754 PolarHBondContact O-N 3.02Å; Q754-S756 VanDerWaalsContact C-N 3.29Å; Q754-S756 PolarHBondContact O-N 3.46Å; Q754-M757 PolarHBondContact O-N 3.5Å; Q754-D758 PolarHBondContact O-N 3.13Å
755	V	42.8	Very low	49.8	Very low	89 Å²	89	99.5 Å²	99.5	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-37.5	179.5	172.6	0	0	0	0	112	Q751 T759	Q751-V755 WeakPolarHBondContact O-CG2 3.48Å; Q751-V755 PolarHBondContact O-N 2.84Å; V755-T759 WeakPolarHBondContact O-CG2 3.27Å; V755-T759 PolarHBondContact O-N 3.26Å; V755-T759 PolarHBondContact O-OG1 2.89Å; V755-T759 VanDerWaalsContact O-OG1 3.12Å
756	S	38.3	Very low	47.9	Very low	35 Å²	35	100.2 Å²	100.2	25%	0.245	50%	0.503	C	S	.	.	H	α-helix	trans	-73.8	-24.8	175.9	52.4	0	0	0	0	113.8	Y752 N753 Q754 T759 N760	Y752-S756 WeakPolarHBondContact O-CB 3.46Å; Y752-S756 PolarHBondContact O-N 2.75Å; Y752-S756 PolarHBondContact O-OG 3.36Å; N753-S756 WeakPolarHBondContact CA-OG 3.49Å; N753-S756 PolarHBondContact O-OG 3.35Å; Q754-S756 VanDerWaalsContact C-N 3.29Å; Q754-S756 PolarHBondContact O-N 3.46Å; S756-T759 PolarHBondContact O-OG1 2.74Å; S756-N760 WeakPolarHBondContact O-CB 3.44Å; S756-N760 VanDerWaalsContact O-CG 3.28Å; S756-N760 PolarHBondContact O-N 3.17Å; S756-N760 PolarHBondContact O-ND2 2.91Å
757	M	35.6	Very low	46.1	Very low	121 Å²	121	102.8 Å²	102.8	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-77.2	-43.5	169.9	-68.5	-64.6	159.9	0	0	111.4	N753 Q754 T759 N760 E761	N753-M757 VanDerWaalsContact O-CG 3.22Å; N753-M757 WeakPolarHBondContact O-CG 3.17Å; N753-M757 PolarHBondContact O-N 3.5Å; Q754-M757 PolarHBondContact O-N 3.5Å; M757-T759 VanDerWaalsContact C-N 3.33Å; M757-T759 PolarHBondContact O-N 3.21Å; M757-N760 PolarHBondContact O-N 3.2Å; M757-N760 VanDerWaalsContact O-N 3.15Å; M757-E761 PolarHBondContact O-N 2.92Å
758	D	40.4	Very low	44.5	Very low	103 Å²	103	105.9 Å²	105.9	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-60.5	-38.4	176.3	-76.8	-23.3	0	0	0	112.7	Q754 R762	Q754-D758 PolarHBondContact O-N 3.13Å; D758-R762 WeakPolarHBondContact O-CB 3.39Å; D758-R762 PolarHBondContact O-N 3.23Å
759	T	42.2	Very low	43	Very low	70 Å²	70	109.5 Å²	109.5	43%	0.429	58%	0.578	S	S	.	*	H	α-helix	trans	-70.2	-39.2	174.5	54.9	0	0	0	0	112	V755 S756 M757 R762 L763	V755-T759 WeakPolarHBondContact O-CG2 3.27Å; V755-T759 PolarHBondContact O-N 3.26Å; V755-T759 PolarHBondContact O-OG1 2.89Å; V755-T759 VanDerWaalsContact O-OG1 3.12Å; S756-T759 PolarHBondContact O-OG1 2.74Å; M757-T759 VanDerWaalsContact C-N 3.33Å; M757-T759 PolarHBondContact O-N 3.21Å; T759-R762 PolarHBondContact O-N 3.34Å; T759-L763 WeakPolarHBondContact O-CB 3.41Å; T759-L763 VanDerWaalsContact O-CG 3.23Å; T759-L763 WeakPolarHBondContact O-CG 3.23Å; T759-L763 PolarHBondContact O-N 3Å
760	N	39.9	Very low	41.7	Very low	86 Å²	86	109.4 Å²	109.4	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-67.4	-41.6	175.7	-79.1	-43.1	0	0	0	112.3	S756 M757 L763 M764	S756-N760 WeakPolarHBondContact O-CB 3.44Å; S756-N760 VanDerWaalsContact O-CG 3.28Å; S756-N760 PolarHBondContact O-N 3.17Å; S756-N760 PolarHBondContact O-ND2 2.91Å; M757-N760 PolarHBondContact O-N 3.2Å; M757-N760 VanDerWaalsContact O-N 3.15Å; N760-L763 PolarHBondContact O-N 3.41Å; N760-M764 WeakPolarHBondContact O-CB 3.46Å; N760-M764 WeakPolarHBondContact O-CG 3.41Å; N760-M764 PolarHBondContact O-N 3.23Å
761	E	38.2	Very low	40.3	Very low	138 Å²	138	113.6 Å²	113.6	65%	0.645	61%	0.609	S	S	*	*	H	α-helix	trans	-66	-37.9	174.4	-72.7	-158.4	162.5	0	0	112.1	M757 M764 T765	M757-E761 PolarHBondContact O-N 2.92Å; E761-M764 PolarHBondContact O-N 3.36Å; E761-T765 WeakPolarHBondContact O-CB 3.39Å; E761-T765 WeakPolarHBondContact O-CG2 3.31Å; E761-T765 PolarHBondContact O-N 3.12Å; E761-T765 PolarHBondContact O-OG1 3.49Å
762	R	40.4	Very low	39.4	Very low	194 Å²	194	116.5 Å²	116.5	73%	0.732	62%	0.624	S	S	*	*	H	α-helix	trans	-61.2	-46.2	169.2	-85.9	-174.4	167.8	176.8	0.9	112.2	D758 T759 M764 T765 C766	D758-R762 WeakPolarHBondContact O-CB 3.39Å; D758-R762 PolarHBondContact O-N 3.23Å; T759-R762 PolarHBondContact O-N 3.34Å; R762-M764 PolarHBondContact O-N 3.02Å; R762-T765 WeakPolarHBondContact CA-OG1 3.39Å; R762-T765 PolarHBondContact O-N 3.06Å; R762-T765 PolarHBondContact O-OG1 3.19Å; R762-C766 WeakPolarHBondContact O-CB 3.42Å; R762-C766 PolarHBondContact O-N 3.33Å; R762-C766 PolarHBondContact O-SG 3.44Å
763	L	40.8	Very low	38.6	Very low	127 Å²	127	114.8 Å²	114.8	67%	0.665	63%	0.627	S	S	*	*	H	α-helix	trans	-65.3	-38.6	179.3	-72.9	166.1	0	0	0	112.2	T759 N760	T759-L763 WeakPolarHBondContact O-CB 3.41Å; T759-L763 VanDerWaalsContact O-CG 3.23Å; T759-L763 WeakPolarHBondContact O-CG 3.23Å; T759-L763 PolarHBondContact O-N 3Å; N760-L763 PolarHBondContact O-N 3.41Å
764	M	39.9	Very low	37.9	Very low	158 Å²	158	123 Å²	123	78%	0.778	66%	0.662	S	S	*	*	H	α-helix	trans	-63.3	-46.5	172.8	-71.7	-80	-154.9	0	0	112	N760 E761 R762 C766 G767	N760-M764 WeakPolarHBondContact O-CB 3.46Å; N760-M764 WeakPolarHBondContact O-CG 3.41Å; N760-M764 PolarHBondContact O-N 3.23Å; E761-M764 PolarHBondContact O-N 3.36Å; R762-M764 PolarHBondContact O-N 3.02Å; M764-C766 PolarHBondContact O-N 2.7Å; M764-G767 PolarHBondContact O-N 2.74Å
765	T	43.1	Very low	37.7	Very low	103 Å²	103	124.3 Å²	124.3	63%	0.632	67%	0.673	S	S	*	*	H	α-helix	trans	-72.5	-25.9	-179.1	49.6	0	0	0	0	113.4	E761 R762 G767	E761-T765 WeakPolarHBondContact O-CB 3.39Å; E761-T765 WeakPolarHBondContact O-CG2 3.31Å; E761-T765 PolarHBondContact O-N 3.12Å; E761-T765 PolarHBondContact O-OG1 3.49Å; R762-T765 WeakPolarHBondContact CA-OG1 3.39Å; R762-T765 PolarHBondContact O-N 3.06Å; R762-T765 PolarHBondContact O-OG1 3.19Å; T765-G767 PolarHBondContact O-N 3.2Å
766	C	37.6	Very low	37.4	Very low	100 Å²	100	126.2 Å²	126.2	68%	0.676	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-16.2	169.3	-77.7	0	0	0	0	114.2	R762 M764 S768	R762-C766 WeakPolarHBondContact O-CB 3.42Å; R762-C766 PolarHBondContact O-N 3.33Å; R762-C766 PolarHBondContact O-SG 3.44Å; M764-C766 PolarHBondContact O-N 2.7Å; C766-S768 PolarHBondContact O-N 3.23Å
767	G	36	Very low	37.3	Very low	66 Å²	66	131.2 Å²	131.2	68%	0.68	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-8	-180	0	0	0	0	0	115.5	M764 T765 M769	M764-G767 PolarHBondContact O-N 2.74Å; T765-G767 PolarHBondContact O-N 3.2Å; G767-M769 PolarHBondContact O-N 3.34Å
768	S	36.3	Very low	37.4	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	71%	0.71	S	S	*	*			trans	-95.6	67.8	-173.7	-62	0	0	0	0	113.1	C766	C766-S768 PolarHBondContact O-N 3.23Å
769	M	34.5	Very low	37.3	Very low	173 Å²	173	133.6 Å²	133.6	85%	0.852	72%	0.72	S	S	*	*			trans	-65.8	128.6	169.5	-80.3	-168.1	68.6	0	0	110.9	G767	G767-M769 PolarHBondContact O-N 3.34Å
770	P	35.6	Very low	36.9	Very low	100 Å²	100	137.9 Å²	137.9	65%	0.649	74%	0.739	S	S	*	*			trans	-71.3	135	173.4	29.7	-33.4	0	0	0	110.4	M772	P770-M772 PolarHBondContact O-N 3.39Å
771	N	33.9	Very low	36.7	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	76%	0.759	S	S	*	*			trans	-75.1	94.3	-179.3	-136.1	7.8	0	0	0	109.8	N773	N771-N773 PolarHBondContact O-N 3.04Å
772	M	34.8	Very low	36.6	Very low	160 Å²	160	141.8 Å²	141.8	79%	0.788	77%	0.768	S	S	*	*			trans	-86.7	83.9	179.1	-67.3	-72.5	-73.4	0	0	110.3	P770	P770-M772 PolarHBondContact O-N 3.39Å
773	N	30.7	Very low	36.3	Very low	141 Å²	141	137.5 Å²	137.5	75%	0.754	77%	0.771	S	S	*	*			trans	-102.9	79	168.9	-82.4	-9	0	0	0	110.2	N771	N771-N773 PolarHBondContact O-N 3.04Å
774	E	32.1	Very low	35.9	Very low	268 Å²	268	138.5 Å²	138.5	100%	1.252	78%	0.781	S	S	*	*			trans	-170.4	0	152.7	-109.6	170.8	-160.3	0	0	110.3

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