A0A5K4F598_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F598, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 763 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	48.5	Very low	61.8	Low	210 Å²	210	130.5 Å²	130.5	100%	1.034	65%	0.648	S	S	*	*				0	106.2	0	-91.3	-170.1	173.5	0	0	106.8
2	D	57.7	Low	62.8	Low	130 Å²	130	127.7 Å²	127.7	70%	0.695	63%	0.632	S	S	*	*			trans	-67.2	138.8	-177.6	-84.4	-41.6	0	0	0	111.1	I4 Q5	D2-I4 PolarHBondContact O-N 3.34Å; D2-Q5 PolarHBondContact O-N 3.06Å
3	I	57.8	Low	63.9	Low	136 Å²	136	124.8 Å²	124.8	70%	0.697	62%	0.621	S	S	*	*	H	α-helix	trans	-49.2	-24.2	-177.9	-70.2	165	0	0	0	112.9	Q5 V6 N7	I3-Q5 PolarHBondContact O-N 2.82Å; I3-V6 PolarHBondContact O-N 3.15Å; I3-N7 PolarHBondContact O-N 3.29Å
4	I	58.2	Low	65.1	Low	127 Å²	127	126.1 Å²	126.1	65%	0.651	62%	0.617	S	S	*	*	H	α-helix	trans	-63.2	-37.6	175.8	-61.1	171.3	0	0	0	112.1	D2 V6 L8	D2-I4 PolarHBondContact O-N 3.34Å; I4-V6 PolarHBondContact O-N 3.3Å; I4-L8 HydrophobicContact CG2-CD1 4.28Å; I4-L8 PolarHBondContact O-N 3.44Å
5	Q	54	Low	66.1	Low	114 Å²	114	126.5 Å²	126.5	53%	0.533	61%	0.614	S	S	.	*	H	α-helix	trans	-67.5	-35.7	178.1	-83	-176.1	-25.7	0	0	112.5	D2 I3 L8 I9	D2-Q5 PolarHBondContact O-N 3.06Å; I3-Q5 PolarHBondContact O-N 2.82Å; Q5-L8 PolarHBondContact O-N 2.75Å; Q5-I9 WeakPolarHBondContact O-CG1 3.48Å; Q5-I9 PolarHBondContact O-N 2.9Å
6	V	63.3	Low	67.2	Low	81 Å²	81	126.6 Å²	126.6	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-68.3	-40.7	-179.5	179.7	0	0	0	0	110.9	I3 I4 L8 I9 H10	I3-V6 PolarHBondContact O-N 3.15Å; I4-V6 PolarHBondContact O-N 3.3Å; V6-L8 PolarHBondContact O-N 3.3Å; V6-I9 PolarHBondContact O-N 2.95Å; V6-H10 PolarHBondContact O-N 3.09Å; V6-H10 VanDerWaalsContact O-N 3.08Å
7	N	64.9	Low	68.1	Low	107 Å²	107	126.6 Å²	126.6	57%	0.572	60%	0.603	S	S	*	*	H	α-helix	trans	-68.1	-34.9	178.3	-77.9	-18.2	0	0	0	113	I3 H10 Y11	I3-N7 PolarHBondContact O-N 3.29Å; N7-H10 PolarHBondContact O-N 3.39Å; N7-Y11 WeakPolarHBondContact O-CB 3.02Å; N7-Y11 PolarHBondContact O-N 3.43Å
8	L	62.2	Low	68.9	Low	117 Å²	117	122.6 Å²	122.6	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-65.1	-42.3	175.3	-107.8	137.7	0	0	0	112.2	I4 Q5 V6 H10 Y11 E12	I4-L8 HydrophobicContact CG2-CD1 4.28Å; I4-L8 PolarHBondContact O-N 3.44Å; Q5-L8 PolarHBondContact O-N 2.75Å; V6-L8 PolarHBondContact O-N 3.3Å; L8-H10 VanDerWaalsContact C-N 3.34Å; L8-H10 PolarHBondContact O-N 3.01Å; L8-Y11 PolarHBondContact O-N 2.98Å; L8-E12 PolarHBondContact O-N 2.7Å
9	I	69.2	Low	69.5	Low	108 Å²	108	122.9 Å²	122.9	55%	0.554	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-40.7	176.3	-65.5	166.7	0	0	0	110.7	Q5 V6 Y11 N13	Q5-I9 WeakPolarHBondContact O-CG1 3.48Å; Q5-I9 PolarHBondContact O-N 2.9Å; V6-I9 PolarHBondContact O-N 2.95Å; I9-Y11 VanDerWaalsContact C-N 3.35Å; I9-Y11 PolarHBondContact O-N 3.2Å; I9-N13 WeakPolarHBondContact O-CB 3.49Å; I9-N13 PolarHBondContact O-N 3.32Å; I9-N13 PolarHBondContact O-ND2 2.88Å
10	H	69.4	Low	70.4	Confident	135 Å²	135	125.3 Å²	125.3	63%	0.625	59%	0.592	S	S	*	*	H	α-helix	trans	-67.2	-36.6	-179.7	-133.9	-56.8	0	0	0	112.4	V6 N7 L8 Y14	V6-H10 PolarHBondContact O-N 3.09Å; V6-H10 VanDerWaalsContact O-N 3.08Å; N7-H10 PolarHBondContact O-N 3.39Å; L8-H10 VanDerWaalsContact C-N 3.34Å; L8-H10 PolarHBondContact O-N 3.01Å; H10-Y14 WeakPolarHBondContact O-CB 3.36Å; H10-Y14 PolarHBondContact O-N 3.1Å
11	Y	74.1	Confident	71.2	Confident	170 Å²	170	124.6 Å²	124.6	67%	0.667	58%	0.584	S	S	*	*	H	α-helix	trans	-70	-43	177.2	-168.9	-97.5	0	0	0	112.5	N7 L8 I9 N13 Y14 K15	N7-Y11 WeakPolarHBondContact O-CB 3.02Å; N7-Y11 PolarHBondContact O-N 3.43Å; L8-Y11 PolarHBondContact O-N 2.98Å; I9-Y11 VanDerWaalsContact C-N 3.35Å; I9-Y11 PolarHBondContact O-N 3.2Å; Y11-N13 PolarHBondContact O-N 3.4Å; Y11-Y14 PolarHBondContact O-N 3.43Å; Y11-K15 PolarHBondContact O-N 3.35Å
12	E	73.9	Confident	73	Confident	97 Å²	97	118.3 Å²	118.3	45%	0.453	55%	0.554	S	S	.	*	H	α-helix	trans	-58	-46.2	172.9	-94	-85.1	139.2	0	0	111.8	L8 K15 K16	L8-E12 PolarHBondContact O-N 2.7Å; E12-K15 PolarHBondContact O-N 3.45Å; E12-K16 WeakPolarHBondContact O-CG 3.27Å; E12-K16 PolarHBondContact O-N 3.41Å; E12-K16 WeakPolarHBondContact OE2-CE 3.36Å; E12-K16 IonicContact OE2-NZ 3.38Å; E12-K16 PolarHBondContact OE2-NZ 3.42Å
13	N	78.2	Confident	74.2	Confident	91 Å²	91	115.8 Å²	115.8	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-39.5	178.9	-76.8	-22.5	0	0	0	112.4	I9 Y11 K16 W17	I9-N13 WeakPolarHBondContact O-CB 3.49Å; I9-N13 PolarHBondContact O-N 3.32Å; I9-N13 PolarHBondContact O-ND2 2.88Å; Y11-N13 PolarHBondContact O-N 3.4Å; N13-K16 PolarHBondContact O-N 2.88Å; N13-W17 WeakPolarHBondContact O-CB 3.49Å; N13-W17 PolarHBondContact O-N 3.16Å
14	Y	80.7	Confident	75.4	Confident	143 Å²	143	111.5 Å²	111.5	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-64.8	-40.5	176.7	-170.8	-106.6	0	0	0	111.9	H10 Y11 W17 I18	H10-Y14 WeakPolarHBondContact O-CB 3.36Å; H10-Y14 PolarHBondContact O-N 3.1Å; Y11-Y14 PolarHBondContact O-N 3.43Å; Y14-W17 PolarHBondContact O-N 3.46Å; Y14-I18 HydrophobicContact CD1-CD1 3.79Å; Y14-I18 HydrophobicContact CE1-CD1 3.31Å; Y14-I18 HydrophobicContact CE1-CG1 4.27Å; Y14-I18 PolarHBondContact O-N 3.35Å
15	K	79.3	Confident	76.7	Confident	132 Å²	132	110.1 Å²	110.1	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-42.4	176.2	-161.2	178.5	-177.2	-177.5	0	111.9	Y11 E12 W17 I18 L19	Y11-K15 PolarHBondContact O-N 3.35Å; E12-K15 PolarHBondContact O-N 3.45Å; K15-W17 VanDerWaalsContact C-N 3.34Å; K15-W17 PolarHBondContact O-N 3.43Å; K15-I18 PolarHBondContact O-N 2.81Å; K15-L19 PolarHBondContact O-N 3.41Å
16	K	83.5	Confident	78.2	Confident	127 Å²	127	109.5 Å²	109.5	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-62.5	-39.7	174.4	-74.2	176.3	-174.7	168.9	0	112.1	E12 N13 L19 W20	E12-K16 WeakPolarHBondContact O-CG 3.27Å; E12-K16 PolarHBondContact O-N 3.41Å; E12-K16 WeakPolarHBondContact OE2-CE 3.36Å; E12-K16 IonicContact OE2-NZ 3.38Å; E12-K16 PolarHBondContact OE2-NZ 3.42Å; N13-K16 PolarHBondContact O-N 2.88Å; K16-L19 PolarHBondContact O-N 3.21Å; K16-W20 WeakPolarHBondContact O-CB 3.34Å; K16-W20 PolarHBondContact O-N 3.46Å
17	W	83.1	Confident	79.4	Confident	128 Å²	128	110.9 Å²	110.9	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-43	177.5	-176	81.8	0	0	0	112.7	N13 Y14 K15 L19 W20 R21	N13-W17 WeakPolarHBondContact O-CB 3.49Å; N13-W17 PolarHBondContact O-N 3.16Å; Y14-W17 PolarHBondContact O-N 3.46Å; K15-W17 VanDerWaalsContact C-N 3.34Å; K15-W17 PolarHBondContact O-N 3.43Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-W20 PolarHBondContact O-N 3.29Å; W17-R21 WeakPolarHBondContact O-CB 3.24Å; W17-R21 PolarHBondContact O-N 3.17Å
18	I	81.8	Confident	80.3	Confident	54 Å²	54	112.6 Å²	112.6	28%	0.277	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175	-70.7	173.7	0	0	0	110.9	Y14 K15 W20 R21 N22	Y14-I18 HydrophobicContact CD1-CD1 3.79Å; Y14-I18 HydrophobicContact CE1-CD1 3.31Å; Y14-I18 HydrophobicContact CE1-CG1 4.27Å; Y14-I18 PolarHBondContact O-N 3.35Å; K15-I18 PolarHBondContact O-N 2.81Å; I18-W20 VanDerWaalsContact C-N 3.34Å; I18-W20 PolarHBondContact O-N 3.21Å; I18-R21 PolarHBondContact O-N 3.37Å; I18-N22 WeakPolarHBondContact O-CB 3.38Å; I18-N22 VanDerWaalsContact O-CG 3.27Å; I18-N22 PolarHBondContact O-N 3.24Å
19	L	81.8	Confident	81.4	Confident	129 Å²	129	111.4 Å²	111.4	68%	0.675	52%	0.521	S	S	*	.	H	α-helix	trans	-61.9	-44.6	178.9	-149	98.9	0	0	0	111	K15 K16 W17 S23	K15-L19 PolarHBondContact O-N 3.41Å; K16-L19 PolarHBondContact O-N 3.21Å; W17-L19 VanDerWaalsContact C-N 3.35Å; L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 3.22Å
20	W	87.4	Confident	82.2	Confident	169 Å²	169	110.3 Å²	110.3	64%	0.64	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-52.4	176.2	-176.4	79.5	0	0	0	111.2	K16 W17 I18 N22 S23 T24	K16-W20 WeakPolarHBondContact O-CB 3.34Å; K16-W20 PolarHBondContact O-N 3.46Å; W17-W20 PolarHBondContact O-N 3.29Å; I18-W20 VanDerWaalsContact C-N 3.34Å; I18-W20 PolarHBondContact O-N 3.21Å; W20-N22 VanDerWaalsContact C-N 3.31Å; W20-N22 PolarHBondContact O-N 3Å; W20-S23 WeakPolarHBondContact O-CB 3.2Å; W20-S23 PolarHBondContact O-N 3.36Å; W20-S23 VanDerWaalsContact O-N 3.11Å; W20-T24 PolarHBondContact O-N 3.24Å; W20-T24 PolarHBondContact O-OG1 3.18Å
21	R	86.8	Confident	82.9	Confident	111 Å²	111	106.5 Å²	106.5	42%	0.419	50%	0.503	S	S	.	.	H	α-helix	trans	-54.9	-46	179.3	-172.1	-169.4	75.6	175.5	3.5	112.2	W17 I18 T24 L25	W17-R21 WeakPolarHBondContact O-CB 3.24Å; W17-R21 PolarHBondContact O-N 3.17Å; I18-R21 PolarHBondContact O-N 3.37Å; R21-T24 PolarHBondContact O-N 3.27Å; R21-L25 HydrophobicContact CG-CD1 4.49Å; R21-L25 PolarHBondContact O-N 3.46Å
22	N	86.7	Confident	83.3	Confident	78 Å²	78	101.9 Å²	101.9	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-69.7	-35.1	-179	-69.1	-7.7	0	0	0	111.7	I18 W20 L25 L26	I18-N22 WeakPolarHBondContact O-CB 3.38Å; I18-N22 VanDerWaalsContact O-CG 3.27Å; I18-N22 PolarHBondContact O-N 3.24Å; W20-N22 VanDerWaalsContact C-N 3.31Å; W20-N22 PolarHBondContact O-N 3Å; N22-L25 PolarHBondContact O-N 2.86Å; N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 PolarHBondContact O-N 3.29Å
23	S	82.3	Confident	83.4	Confident	78 Å²	78	100.1 Å²	100.1	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.4	-158.4	0	0	0	0	111.7	L19 W20 L25 L26 L27	L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 3.22Å; W20-S23 WeakPolarHBondContact O-CB 3.2Å; W20-S23 PolarHBondContact O-N 3.36Å; W20-S23 VanDerWaalsContact O-N 3.11Å; S23-L25 PolarHBondContact O-N 3.25Å; S23-L26 PolarHBondContact O-N 3.28Å; S23-L27 PolarHBondContact O-N 2.96Å
24	T	83.3	Confident	83.7	Confident	46 Å²	46	100.1 Å²	100.1	28%	0.282	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.2	-34.7	0	0	0	0	111.7	W20 R21 L27 F28	W20-T24 PolarHBondContact O-N 3.24Å; W20-T24 PolarHBondContact O-OG1 3.18Å; R21-T24 PolarHBondContact O-N 3.27Å; T24-L27 PolarHBondContact O-N 2.81Å; T24-F28 HydrophobicContact CG2-CD2 4.36Å; T24-F28 HydrophobicContact CG2-CE2 4.31Å; T24-F28 WeakPolarHBondContact O-CD2 3.4Å; T24-F28 PolarHBondContact O-N 2.77Å
25	L	84.7	Confident	83.6	Confident	97 Å²	97	99.9 Å²	99.9	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-42.3	176.1	-114.2	141	0	0	0	112	R21 N22 S23 L27 F28 I29	R21-L25 HydrophobicContact CG-CD1 4.49Å; R21-L25 PolarHBondContact O-N 3.46Å; N22-L25 PolarHBondContact O-N 2.86Å; S23-L25 PolarHBondContact O-N 3.25Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-F28 PolarHBondContact O-N 3.36Å; L25-I29 WeakPolarHBondContact O-CG1 3.12Å; L25-I29 PolarHBondContact O-N 3.28Å; L25-I29 VanDerWaalsContact O-N 3.09Å
26	L	86	Confident	83.6	Confident	102 Å²	102	98.4 Å²	98.4	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-42.7	175.2	-173.4	71.7	0	0	0	111.4	N22 S23 F28 I29 I30	N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 PolarHBondContact O-N 3.29Å; S23-L26 PolarHBondContact O-N 3.28Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 3.14Å; L26-I29 PolarHBondContact O-N 2.93Å; L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.34Å
27	L	87.3	Confident	83	Confident	110 Å²	110	95.9 Å²	95.9	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-60.8	-43.1	176.7	-161.2	86.9	0	0	0	111.7	S23 T24 L25 I29 I30 C31	S23-L27 PolarHBondContact O-N 2.96Å; T24-L27 PolarHBondContact O-N 2.81Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.04Å; L27-I30 PolarHBondContact O-N 3.32Å; L27-C31 PolarHBondContact O-N 3.06Å; L27-C31 PolarHBondContact O-SG 3.43Å; L27-C31 VanDerWaalsContact O-SG 3.36Å
28	F	84.4	Confident	82.6	Confident	142 Å²	142	93.5 Å²	93.5	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-40.5	175.8	-94.5	-72.6	0	0	0	112.5	T24 L25 L26 C31 T32	T24-F28 HydrophobicContact CG2-CD2 4.36Å; T24-F28 HydrophobicContact CG2-CE2 4.31Å; T24-F28 WeakPolarHBondContact O-CD2 3.4Å; T24-F28 PolarHBondContact O-N 2.77Å; L25-F28 PolarHBondContact O-N 3.36Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 3.14Å; F28-C31 PolarHBondContact O-N 3.31Å; F28-T32 WeakPolarHBondContact O-CG2 3.33Å; F28-T32 PolarHBondContact O-N 2.92Å; F28-T32 PolarHBondContact O-OG1 3.47Å; F28-T32 VanDerWaalsContact O-OG1 3.09Å
29	I	85.4	Confident	82	Confident	93 Å²	93	95.5 Å²	95.5	48%	0.477	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-39.9	177.3	-66.4	166.3	0	0	0	111	L25 L26 L27 T32 S33	L25-I29 WeakPolarHBondContact O-CG1 3.12Å; L25-I29 PolarHBondContact O-N 3.28Å; L25-I29 VanDerWaalsContact O-N 3.09Å; L26-I29 PolarHBondContact O-N 2.93Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.04Å; I29-T32 PolarHBondContact O-OG1 3.36Å; I29-T32 VanDerWaalsContact O-OG1 3.05Å; I29-S33 WeakPolarHBondContact O-CB 3.48Å; I29-S33 PolarHBondContact O-N 3.31Å; I29-S33 VanDerWaalsContact O-N 3.08Å; I29-S33 PolarHBondContact O-OG 2.97Å
30	I	86.3	Confident	81.4	Confident	84 Å²	84	94.6 Å²	94.6	43%	0.431	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-46.4	176.2	-67.5	166.5	0	0	0	110.4	L26 L27 T32 S33 I34	L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.34Å; L27-I30 PolarHBondContact O-N 3.32Å; I30-T32 PolarHBondContact O-N 2.83Å; I30-S33 PolarHBondContact O-N 2.85Å; I30-I34 HydrophobicContact CG2-CD1 3.83Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 2.98Å; I30-I34 PolarHBondContact O-N 2.98Å
31	C	84.8	Confident	80.6	Confident	55 Å²	55	93.9 Å²	93.9	37%	0.372	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-45.7	179.2	-72.4	0	0	0	0	112.3	L27 F28 S33 I34 F35	L27-C31 PolarHBondContact O-N 3.06Å; L27-C31 PolarHBondContact O-SG 3.43Å; L27-C31 VanDerWaalsContact O-SG 3.36Å; F28-C31 PolarHBondContact O-N 3.31Å; C31-S33 VanDerWaalsContact C-N 3.32Å; C31-S33 PolarHBondContact O-N 3.49Å; C31-I34 PolarHBondContact O-N 3.35Å; C31-F35 WeakPolarHBondContact O-CD2 3.19Å; C31-F35 PolarHBondContact O-N 3.24Å
32	T	81.1	Confident	79.4	Confident	73 Å²	73	93.2 Å²	93.2	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-37.2	178.5	52.4	0	0	0	0	112	F28 I29 I30 I34 F35 I36	F28-T32 WeakPolarHBondContact O-CG2 3.33Å; F28-T32 PolarHBondContact O-N 2.92Å; F28-T32 PolarHBondContact O-OG1 3.47Å; F28-T32 VanDerWaalsContact O-OG1 3.09Å; I29-T32 PolarHBondContact O-OG1 3.36Å; I29-T32 VanDerWaalsContact O-OG1 3.05Å; I30-T32 PolarHBondContact O-N 2.83Å; T32-I34 VanDerWaalsContact C-N 3.33Å; T32-I34 PolarHBondContact O-N 3.04Å; T32-F35 PolarHBondContact O-N 2.49Å; T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 2.97Å; T32-I36 PolarHBondContact O-N 3.38Å
33	S	77.5	Confident	77.9	Confident	60 Å²	60	97 Å²	97	42%	0.42	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-38.7	174.7	-55.6	0	0	0	0	112.2	I29 I30 C31 S37	I29-S33 WeakPolarHBondContact O-CB 3.48Å; I29-S33 PolarHBondContact O-N 3.31Å; I29-S33 VanDerWaalsContact O-N 3.08Å; I29-S33 PolarHBondContact O-OG 2.97Å; I30-S33 PolarHBondContact O-N 2.85Å; C31-S33 VanDerWaalsContact C-N 3.32Å; C31-S33 PolarHBondContact O-N 3.49Å; S33-S37 WeakPolarHBondContact O-CB 3.23Å; S33-S37 PolarHBondContact O-N 3.42Å; S33-S37 PolarHBondContact O-OG 3.3Å
34	I	84.3	Confident	76.6	Confident	92 Å²	92	98 Å²	98	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-46.8	175.8	-68.5	165.8	0	0	0	110.7	I30 C31 T32 I36 S37 I38	I30-I34 HydrophobicContact CG2-CD1 3.83Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 2.98Å; I30-I34 PolarHBondContact O-N 2.98Å; C31-I34 PolarHBondContact O-N 3.35Å; T32-I34 VanDerWaalsContact C-N 3.33Å; T32-I34 PolarHBondContact O-N 3.04Å; I34-I36 PolarHBondContact O-N 3.13Å; I34-S37 PolarHBondContact O-N 2.82Å; I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.34Å; I34-I38 WeakPolarHBondContact O-CG1 3.44Å; I34-I38 PolarHBondContact O-N 3.25Å
35	F	78.1	Confident	74.6	Confident	137 Å²	137	100.7 Å²	100.7	60%	0.601	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-46.2	178	-83	-71.3	0	0	0	112.2	C31 T32 S37 I38 D39	C31-F35 WeakPolarHBondContact O-CD2 3.19Å; C31-F35 PolarHBondContact O-N 3.24Å; T32-F35 PolarHBondContact O-N 2.49Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.18Å; F35-I38 PolarHBondContact O-N 3.32Å; F35-D39 PolarHBondContact O-N 3.34Å
36	I	78.4	Confident	72.2	Confident	102 Å²	102	98.6 Å²	98.6	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-61.3	-38.4	176.9	-66.3	166.4	0	0	0	110.8	T32 I34 L40	T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 2.97Å; T32-I36 PolarHBondContact O-N 3.38Å; I34-I36 PolarHBondContact O-N 3.13Å; I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.28Å; I36-L40 PolarHBondContact O-N 3.16Å
37	S	72.2	Confident	69.8	Low	73 Å²	73	100.8 Å²	100.8	51%	0.51	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-37.5	177.6	-59.1	0	0	0	0	112.7	S33 I34 F35 Y41	S33-S37 WeakPolarHBondContact O-CB 3.23Å; S33-S37 PolarHBondContact O-N 3.42Å; S33-S37 PolarHBondContact O-OG 3.3Å; I34-S37 PolarHBondContact O-N 2.82Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.18Å; S37-Y41 VanDerWaalsContact O-CB 3.28Å; S37-Y41 WeakPolarHBondContact O-CB 3.11Å; S37-Y41 PolarHBondContact O-N 3.36Å
38	I	74	Confident	67.4	Low	78 Å²	78	105.4 Å²	105.4	40%	0.4	55%	0.554	S	S	.	*	H	α-helix	trans	-65.7	-46.8	175.6	-70.1	167.7	0	0	0	110.1	I34 F35 L40 Y41 I42	I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.34Å; I34-I38 WeakPolarHBondContact O-CG1 3.44Å; I34-I38 PolarHBondContact O-N 3.25Å; F35-I38 PolarHBondContact O-N 3.32Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.44Å; I38-Y41 PolarHBondContact O-N 3.3Å; I38-Y41 VanDerWaalsContact O-N 3.16Å; I38-I42 HydrophobicContact CG2-CD1 3.68Å; I38-I42 HydrophobicContact CG2-CG1 4.35Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.31Å; I38-I42 PolarHBondContact O-N 3.28Å
39	D	69	Low	64.8	Low	96 Å²	96	106 Å²	106	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-42.3	178.9	-71.1	-22.4	0	0	0	111.1	F35 Y41 I42 M43	F35-D39 PolarHBondContact O-N 3.34Å; D39-Y41 PolarHBondContact O-N 3.33Å; D39-I42 PolarHBondContact O-N 3.24Å; D39-M43 WeakPolarHBondContact O-CB 3.31Å; D39-M43 WeakPolarHBondContact O-CG 3.45Å; D39-M43 PolarHBondContact O-N 3.44Å
40	L	68.5	Low	62.1	Low	111 Å²	111	108.6 Å²	108.6	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-64.5	-37.5	173.8	-75.1	170.1	0	0	0	112.6	I36 I38 M43 S44	I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CB 3.4Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.28Å; I36-L40 PolarHBondContact O-N 3.16Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.44Å; L40-M43 PolarHBondContact O-N 3.33Å; L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.41Å
41	Y	71.4	Confident	59.4	Low	153 Å²	153	111.8 Å²	111.8	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-66.6	-43.3	175.8	-178.1	-97.5	0	0	0	111.7	S37 I38 D39 M43 S44 N45	S37-Y41 VanDerWaalsContact O-CB 3.28Å; S37-Y41 WeakPolarHBondContact O-CB 3.11Å; S37-Y41 PolarHBondContact O-N 3.36Å; I38-Y41 PolarHBondContact O-N 3.3Å; I38-Y41 VanDerWaalsContact O-N 3.16Å; D39-Y41 PolarHBondContact O-N 3.33Å; Y41-M43 VanDerWaalsContact C-N 3.31Å; Y41-M43 PolarHBondContact O-N 3.25Å; Y41-S44 PolarHBondContact O-N 3.36Å; Y41-N45 WeakPolarHBondContact O-CB 3.43Å; Y41-N45 PolarHBondContact O-N 2.88Å; Y41-N45 PolarHBondContact OH-ND2 3.42Å
42	I	60.7	Low	56.9	Low	97 Å²	97	119.2 Å²	119.2	50%	0.497	62%	0.616	S	S	.	*	H	α-helix	trans	-63.6	-39.4	176.9	-68.1	168.2	0	0	0	110.6	I38 D39	I38-I42 HydrophobicContact CG2-CD1 3.68Å; I38-I42 HydrophobicContact CG2-CG1 4.35Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.31Å; I38-I42 PolarHBondContact O-N 3.28Å; D39-I42 PolarHBondContact O-N 3.24Å
43	M	56.1	Low	54.2	Low	158 Å²	158	122.4 Å²	122.4	78%	0.778	63%	0.631	S	S	*	*	H	α-helix	trans	-72.4	-35.4	175.8	-72.7	-170.7	71.6	0	0	113.1	D39 L40 Y41	D39-M43 WeakPolarHBondContact O-CB 3.31Å; D39-M43 WeakPolarHBondContact O-CG 3.45Å; D39-M43 PolarHBondContact O-N 3.44Å; L40-M43 PolarHBondContact O-N 3.33Å; Y41-M43 VanDerWaalsContact C-N 3.31Å; Y41-M43 PolarHBondContact O-N 3.25Å
44	S	54.2	Low	51.8	Low	99 Å²	99	125.8 Å²	125.8	69%	0.692	64%	0.644	S	S	*	*	H	α-helix	trans	-72.4	-37.6	-178.7	171.6	0	0	0	0	112.7	L40 Y41 G46	L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.41Å; Y41-S44 PolarHBondContact O-N 3.36Å; S44-G46 PolarHBondContact O-N 2.93Å
45	N	42.4	Very low	49	Very low	102 Å²	102	129.8 Å²	129.8	55%	0.545	66%	0.661	S	S	.	*	S	Bend	trans	-81.9	46.4	-175.9	-137.1	10.4	0	0	0	112.4	Y41 N47	Y41-N45 WeakPolarHBondContact O-CB 3.43Å; Y41-N45 PolarHBondContact O-N 2.88Å; Y41-N45 PolarHBondContact OH-ND2 3.42Å; N45-N47 PolarHBondContact O-N 3.41Å; N45-N47 VanDerWaalsContact O-N 3.11Å
46	G	35	Very low	46.6	Very low	54 Å²	54	128.7 Å²	128.7	56%	0.557	67%	0.67	S	S	*	*			trans	-44.6	111.9	-178.6	0	0	0	0	0	112.6	S44	S44-G46 PolarHBondContact O-N 2.93Å
47	N	34.7	Very low	44.2	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	69%	0.687	S	S	*	*			trans	-149.6	31.1	163.9	-98.6	-20.8	0	0	0	111.8	N45 N49	N45-N47 PolarHBondContact O-N 3.41Å; N45-N47 VanDerWaalsContact O-N 3.11Å; N47-N49 PolarHBondContact O-N 2.95Å
48	Y	36.6	Very low	42	Very low	206 Å²	206	134 Å²	134	81%	0.808	70%	0.702	S	S	*	*			trans	-91.6	75.3	168.6	-71	-75.5	0	0	0	110.2	L50	Y48-L50 PolarHBondContact O-N 3.34Å
49	N	29.8	Very low	39.8	Very low	155 Å²	155	137.2 Å²	137.2	83%	0.829	72%	0.718	S	S	*	*			trans	-75.1	98.4	159.9	-103.1	-20.9	0	0	0	108.2	N47 N51	N47-N49 PolarHBondContact O-N 2.95Å; N49-N51 PolarHBondContact O-N 2.96Å
50	L	29.2	Very low	38	Very low	148 Å²	148	139.3 Å²	139.3	78%	0.775	73%	0.73	S	S	*	*			trans	-68.8	80.6	169.4	-95.7	122.7	0	0	0	109.5	Y48	Y48-L50 PolarHBondContact O-N 3.34Å
51	N	28.8	Very low	36.2	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	74%	0.74	S	S	*	*			trans	-96.5	97.4	170.7	-146.2	1.2	0	0	0	109.5	N49 N53	N49-N51 PolarHBondContact O-N 2.96Å; N51-N53 PolarHBondContact O-N 3.17Å
52	W	32.3	Very low	34.2	Very low	210 Å²	210	146.5 Å²	146.5	80%	0.795	75%	0.753	S	S	*	*			trans	-70.5	115.1	162.4	-80	70.8	0	0	0	107.3
53	N	26.1	Very low	32.8	Very low	141 Å²	141	146.6 Å²	146.6	75%	0.754	76%	0.758	S	S	*	*			trans	177.6	133.4	138.2	-88	-23.1	0	0	0	113.6	N51	N51-N53 PolarHBondContact O-N 3.17Å
54	N	26.3	Very low	31.5	Very low	130 Å²	130	144.2 Å²	144.2	70%	0.695	75%	0.748	S	S	*	*			trans	67.5	115.9	143.5	-70.3	-0.6	0	0	0	122.7
55	E	26.1	Very low	30.4	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	74%	0.744	S	S	*	*				67.1	99.9	128.2	-64.1	-176.2	162.4	0	0	118.5
56	S	26.2	Very low	29.8	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	75%	0.745	S	S	*	*				170.1	118.5	117.6	44.7	0	0	0	0	110.7
57	S	29.7	Very low	29.6	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	74%	0.742	S	S	*	*			trans	162.1	104.1	142	45.3	0	0	0	0	108.4
58	I	26	Very low	29.4	Very low	162 Å²	162	146.3 Å²	146.3	83%	0.831	73%	0.729	S	S	*	*			trans	-73.7	145.7	175.2	-69.6	158.8	0	0	0	107.6
59	I	26.9	Very low	29.1	Very low	146 Å²	146	142.1 Å²	142.1	75%	0.749	72%	0.717	S	S	*	*	S	Bend	trans	99.2	115.7	172.6	-47.9	174.5	0	0	0	114.9
60	N	30.3	Very low	29.2	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	71%	0.712	S	S	*	*	S	Bend	trans	80.5	34.7	168.4	-73.6	-9	0	0	0	121.8
61	K	31.1	Very low	29.3	Very low	185 Å²	185	142.2 Å²	142.2	80%	0.804	71%	0.706	S	S	*	*			trans	-118.3	-1.3	162	-96.7	-178.1	179.9	174.7	0	117.1	T63	K61-T63 PolarHBondContact O-N 3.07Å
62	R	30.1	Very low	29.3	Very low	230 Å²	230	143 Å²	143	87%	0.868	70%	0.703	S	S	*	*	H	α-helix	trans	-73.3	-22.8	-178.9	-120	179.4	-163.1	166.4	5.9	114.4
63	T	31.8	Very low	29.2	Very low	99 Å²	99	139.7 Å²	139.7	61%	0.607	70%	0.7	S	S	*	*	H	α-helix	trans	-84.3	-32.9	-176	-26.2	0	0	0	0	112.9	K61 I67	K61-T63 PolarHBondContact O-N 3.07Å; T63-I67 WeakPolarHBondContact O-CD1 3.39Å; T63-I67 WeakPolarHBondContact O-CG1 3.3Å
64	I	28.7	Very low	29.4	Very low	108 Å²	108	141.2 Å²	141.2	55%	0.554	70%	0.7	S	S	*	*	H	α-helix	trans	-81.9	-34	-172.1	-61.2	176.9	0	0	0	112.3	N66 I67 I68	I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.07Å; I64-I67 PolarHBondContact O-N 2.96Å; I64-I68 HydrophobicContact CG2-CD1 4.05Å; I64-I68 PolarHBondContact O-N 2.87Å
65	K	29.8	Very low	29.5	Very low	142 Å²	142	142.8 Å²	142.8	62%	0.617	70%	0.704	S	S	*	*	H	α-helix	trans	-68.1	-33.6	-179.6	-158.8	176.3	179.7	-175.5	0	112.7	I67 E69	K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.4Å; K65-E69 PolarHBondContact O-N 3Å
66	N	30.6	Very low	29.6	Very low	107 Å²	107	140.1 Å²	140.1	57%	0.572	70%	0.695	S	S	*	*	H	α-helix	trans	-73.6	-19.7	177.3	-74.3	-1.8	0	0	0	113.6	I64	I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.07Å
67	I	30.7	Very low	29.8	Very low	96 Å²	96	137.6 Å²	137.6	49%	0.492	68%	0.677	S	S	.	*	H	α-helix	trans	-80.4	-43.5	176.9	-65.4	169.2	0	0	0	109.9	T63 I64 K65 E69 K70 E71	T63-I67 WeakPolarHBondContact O-CD1 3.39Å; T63-I67 WeakPolarHBondContact O-CG1 3.3Å; I64-I67 PolarHBondContact O-N 2.96Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.4Å; I67-E69 PolarHBondContact O-N 3.42Å; I67-K70 PolarHBondContact O-N 3.47Å; I67-E71 PolarHBondContact O-N 2.92Å
68	I	31	Very low	29.7	Very low	101 Å²	101	135.9 Å²	135.9	52%	0.518	66%	0.661	S	S	.	*	H	α-helix	trans	-69.7	-35.4	-178.1	-61.1	174.2	0	0	0	112	I64 K70 K72	I64-I68 HydrophobicContact CG2-CD1 4.05Å; I64-I68 PolarHBondContact O-N 2.87Å; I68-K70 VanDerWaalsContact C-N 3.33Å; I68-K72 PolarHBondContact O-N 3.18Å
69	E	29.8	Very low	29.9	Very low	118 Å²	118	131.3 Å²	131.3	55%	0.551	64%	0.641	S	S	*	*	H	α-helix	trans	-73.1	-23.2	174.3	-85.3	176	-174.4	0	0	113.3	K65 I67	K65-E69 PolarHBondContact O-N 3Å; I67-E69 PolarHBondContact O-N 3.42Å
70	K	30.8	Very low	29.9	Very low	166 Å²	166	130.7 Å²	130.7	72%	0.722	64%	0.639	S	S	*	*	H	α-helix	trans	-78.9	-28.8	174.3	-98.5	-175.6	174.3	-179.6	0	113.6	I67 I68	I67-K70 PolarHBondContact O-N 3.47Å; I68-K70 VanDerWaalsContact C-N 3.33Å
71	E	31.3	Very low	29.8	Very low	139 Å²	139	127.4 Å²	127.4	65%	0.65	62%	0.621	S	S	*	*	H	α-helix	trans	-76.4	-39.3	178.3	-81.9	-173.4	154.1	0	0	113	I67 N73 K74	I67-E71 PolarHBondContact O-N 2.92Å; E71-N73 PolarHBondContact O-N 3.47Å; E71-K74 PolarHBondContact O-N 2.97Å; E71-K74 VanDerWaalsContact O-N 3.16Å
72	K	29.2	Very low	29.5	Very low	169 Å²	169	127.4 Å²	127.4	74%	0.735	63%	0.626	S	S	*	*	H	α-helix	trans	-64.9	-24.6	178.2	-81.9	-171.4	174.2	-177	0	114.2	I68	I68-K72 PolarHBondContact O-N 3.18Å
73	N	30.3	Very low	29.4	Very low	140 Å²	140	121.5 Å²	121.5	75%	0.749	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-0.6	178.8	-74.7	-22.3	0	0	0	114.1	E71	E71-N73 PolarHBondContact O-N 3.47Å
74	K	30	Very low	29.2	Very low	173 Å²	173	124 Å²	124	75%	0.752	62%	0.621	S	S	*	*	S	Bend	trans	-93.8	-8.4	178.4	-94	-173.9	173.7	-174	0	115.1	E71 N76	E71-K74 PolarHBondContact O-N 2.97Å; E71-K74 VanDerWaalsContact O-N 3.16Å; K74-N76 PolarHBondContact O-N 3.18Å; K74-N76 VanDerWaalsContact O-N 3.14Å
75	E	29.7	Very low	29.1	Very low	163 Å²	163	127.9 Å²	127.9	76%	0.762	64%	0.637	S	S	*	*	S	Bend	trans	-69.6	-8.4	-178.3	-76.1	-171.1	163	0	0	114.7
76	N	27	Very low	28.8	Very low	120 Å²	120	129 Å²	129	64%	0.642	65%	0.649	S	S	*	*			trans	-124.6	79	174.6	-70	-36.9	0	0	0	110.6	K74 V78	K74-N76 PolarHBondContact O-N 3.18Å; K74-N76 VanDerWaalsContact O-N 3.14Å; N76-V78 PolarHBondContact O-N 3.1Å
77	S	31.4	Very low	28.5	Very low	62 Å²	62	131.2 Å²	131.2	43%	0.434	66%	0.659	S	S	.	*			trans	-74	106.3	166	59.8	0	0	0	0	109.2	V79	S77-V79 PolarHBondContact O-N 3.07Å
78	V	26.7	Very low	28	Very low	87 Å²	87	133.5 Å²	133.5	53%	0.527	67%	0.667	S	S	.	*			trans	-72.5	119.7	164.5	-178.8	0	0	0	0	106.7	N76	N76-V78 PolarHBondContact O-N 3.1Å
79	V	29.8	Very low	27.6	Very low	66 Å²	66	138.8 Å²	138.8	40%	0.4	68%	0.681	S	S	.	*			trans	-97.2	105.3	175.8	-179.2	0	0	0	0	107.3	S77 I81 Y521	S77-V79 PolarHBondContact O-N 3.07Å; V79-I81 HydrophobicContact CG1-CD1 4.18Å; V79-I81 HydrophobicContact CG1-CG1 3.8Å; V79-Y521 HydrophobicContact CG2-CD1 3.67Å; V79-Y521 HydrophobicContact CG2-CE1 4Å
80	D	27	Very low	27.2	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	69%	0.69	S	S	*	*			trans	-84.3	117.5	173.3	-65.5	-35.7	0	0	0	108.7
81	I	29.7	Very low	26.9	Very low	71 Å²	71	137.7 Å²	137.7	36%	0.364	69%	0.686	S	S	.	*			trans	-108	121.8	-175.8	-57.6	-179.3	0	0	0	109.5	V79 L556	V79-I81 HydrophobicContact CG1-CD1 4.18Å; V79-I81 HydrophobicContact CG1-CG1 3.8Å; I81-L556 HydrophobicContact CD1-CB 4.28Å; I81-L556 HydrophobicContact CD1-CD2 3.48Å; I81-L556 VanDerWaalsContact CD1-CD2 3.48Å; I81-L556 HydrophobicContact CD1-CG 3.75Å
82	M	23.7	Very low	26.6	Very low	186 Å²	186	139.8 Å²	139.8	92%	0.916	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-73.9	134	175.9	-67.6	-174.7	82.8	0	0	110.7
83	N	28.1	Very low	26.4	Very low	106 Å²	106	138.2 Å²	138.2	57%	0.567	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-86.1	127.4	176.5	-159	19.5	0	0	0	109.8
84	D	28	Very low	26.3	Very low	151 Å²	151	140.6 Å²	140.6	81%	0.807	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-76.1	131.5	168.7	-88.3	-30.7	0	0	0	109.6
85	Q	27	Very low	26	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	70%	0.703	S	S	*	*			trans	129.5	76.7	162.1	-69.8	-177.9	11.6	0	0	113.2
86	L	22.7	Very low	26	Very low	165 Å²	165	141 Å²	141	86%	0.864	70%	0.704	S	S	*	*			trans	-123.2	72.7	157.9	-116.2	147.8	0	0	0	107.5
87	I	24.1	Very low	26	Very low	153 Å²	153	142.7 Å²	142.7	79%	0.785	71%	0.708	S	S	*	*			trans	-103.2	99.2	162.9	-59.8	-179.1	0	0	0	106.8	W89	I87-W89 PolarHBondContact O-N 2.97Å
88	H	21.7	Very low	25.8	Very low	145 Å²	145	145.8 Å²	145.8	67%	0.671	72%	0.72	S	S	*	*			trans	-63.7	114.3	178.2	-157.6	-72.6	0	0	0	109.3	N90	H88-N90 PolarHBondContact O-N 3.08Å
89	W	21.2	Very low	25.8	Very low	211 Å²	211	147.7 Å²	147.7	80%	0.799	73%	0.727	S	S	*	*			trans	-72.8	101.7	169.7	-71.3	79.5	0	0	0	108.7	I87 I91	I87-W89 PolarHBondContact O-N 2.97Å; W89-I91 HydrophobicContact CE3-CD1 3.87Å; W89-I91 HydrophobicContact CE3-CG1 3.96Å; W89-I91 HydrophobicContact CZ3-CD1 4.25Å
90	N	21.8	Very low	25.8	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	74%	0.741	S	S	*	*			trans	-114.5	90.6	156.1	-100.7	-0.3	0	0	0	107.1	H88 H92	H88-N90 PolarHBondContact O-N 3.08Å; N90-H92 PolarHBondContact O-N 2.94Å; N90-H92 VanDerWaalsContact O-N 3.15Å
91	I	24.9	Very low	25.8	Very low	124 Å²	124	151.4 Å²	151.4	64%	0.636	75%	0.745	S	S	*	*			trans	-70.4	102.2	167.8	-60.5	170	0	0	0	105.6	W89	W89-I91 HydrophobicContact CE3-CD1 3.87Å; W89-I91 HydrophobicContact CE3-CG1 3.96Å; W89-I91 HydrophobicContact CZ3-CD1 4.25Å
92	H	24	Very low	25.6	Very low	182 Å²	182	157.3 Å²	157.3	84%	0.843	77%	0.77	S	S	*	*			trans	-103.5	117	160.5	-105.4	7.7	0	0	0	108.4	N90 H94	N90-H92 PolarHBondContact O-N 2.94Å; N90-H92 VanDerWaalsContact O-N 3.15Å; H92-H94 PolarHBondContact O-N 2.84Å
93	D	26.2	Very low	25.7	Very low	137 Å²	137	157.9 Å²	157.9	73%	0.733	77%	0.768	S	S	*	*			trans	-48.8	120.2	176.9	-67.5	-54.8	0	0	0	112
94	H	27.2	Very low	25.5	Very low	190 Å²	190	161.7 Å²	161.7	88%	0.88	79%	0.785	S	S	*	*			trans	-133	105.5	149	-95.7	0.4	0	0	0	110	H92	H92-H94 PolarHBondContact O-N 2.84Å
95	H	24.5	Very low	25.3	Very low	174 Å²	174	162.3 Å²	162.3	81%	0.806	79%	0.788	S	S	*	*			trans	-26.2	128.7	151.8	-80.4	-76.9	0	0	0	113.1
96	H	29.4	Very low	25	Very low	169 Å²	169	156.4 Å²	156.4	78%	0.782	78%	0.778	S	S	*	*				-176.3	118.1	116.3	-104.3	-74.8	0	0	0	111.8
97	H	27.5	Very low	25.1	Very low	157 Å²	157	155.5 Å²	155.5	73%	0.727	78%	0.779	S	S	*	*			trans	37.7	128.8	141.2	-86.5	-70.1	0	0	0	123.4
98	N	27.7	Very low	25	Very low	127 Å²	127	154.4 Å²	154.4	68%	0.679	77%	0.774	S	S	*	*			trans	92.6	102.4	132.9	-84.8	0.6	0	0	0	120.3
99	N	26.9	Very low	25.1	Very low	126 Å²	126	155.4 Å²	155.4	67%	0.674	78%	0.783	S	S	*	*				67.1	110.3	118.9	-79.9	-6.7	0	0	0	120.1
100	N	27.8	Very low	25.1	Very low	131 Å²	131	155.4 Å²	155.4	70%	0.701	78%	0.783	S	S	*	*			trans	85.2	124.6	130.6	-64.2	-17.4	0	0	0	118.8
101	N	27.3	Very low	25.2	Very low	147 Å²	147	153.6 Å²	153.6	79%	0.786	78%	0.781	S	S	*	*			trans	84.4	72.5	158	-57.6	-20.9	0	0	0	118
102	H	26.7	Very low	25.2	Very low	194 Å²	194	156.5 Å²	156.5	90%	0.898	79%	0.792	S	S	*	*			trans	-119.1	91	152.8	-77.9	-58.2	0	0	0	111.4	M104	H102-M104 PolarHBondContact O-N 3.03Å
103	K	25.4	Very low	25.2	Very low	199 Å²	199	158.6 Å²	158.6	87%	0.865	79%	0.793	S	S	*	*			trans	-55.9	117.7	155.4	-114.6	174	175.7	175.9	0	107.5	N105	K103-N105 PolarHBondContact O-N 2.89Å
104	M	23.5	Very low	25.2	Very low	186 Å²	186	157.8 Å²	157.8	92%	0.916	80%	0.798	S	S	*	*			trans	-55	102.3	170.4	-80.2	178.1	157.6	0	0	109.9	H102	H102-M104 PolarHBondContact O-N 3.03Å
105	N	23	Very low	25	Very low	163 Å²	163	155 Å²	155	87%	0.872	79%	0.79	S	S	*	*			trans	-154.3	111.2	161.9	-97.8	-13.5	0	0	0	106.7	K103	K103-N105 PolarHBondContact O-N 2.89Å
106	G	21.8	Very low	25.1	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	78%	0.784	S	S	*	*			trans	161.2	75.4	179.7	0	0	0	0	0	113.4	L108	G106-L108 PolarHBondContact O-N 3.46Å; G106-L108 VanDerWaalsContact O-N 3.07Å
107	T	24.1	Very low	24.9	Very low	146 Å²	146	153.9 Å²	153.9	90%	0.896	79%	0.787	S	S	*	*			trans	-43	104.6	143.5	20.5	0	0	0	0	109.9
108	L	22.6	Very low	24.8	Very low	130 Å²	130	157.6 Å²	157.6	68%	0.681	80%	0.795	S	S	*	*			trans	-156.2	70.6	166.8	-115.1	141.8	0	0	0	109.4	G106 R110	G106-L108 PolarHBondContact O-N 3.46Å; G106-L108 VanDerWaalsContact O-N 3.07Å; L108-R110 HydrophobicContact CD2-CB 3.96Å; L108-R110 HydrophobicContact CD2-CG 3.78Å; L108-R110 PolarHBondContact O-N 3.43Å
109	I	23.3	Very low	24.7	Very low	166 Å²	166	157 Å²	157	85%	0.851	79%	0.791	S	S	*	*			trans	-70.2	80.7	156.6	-58.9	172.2	0	0	0	105.7
110	R	21	Very low	24.8	Very low	212 Å²	212	159 Å²	159	80%	0.8	79%	0.794	S	S	*	*			trans	-93	83.8	162.9	-115.2	-178.7	-178.9	173.2	-0.4	106.3	L108 H112	L108-R110 HydrophobicContact CD2-CB 3.96Å; L108-R110 HydrophobicContact CD2-CG 3.78Å; L108-R110 PolarHBondContact O-N 3.43Å; R110-H112 PolarHBondContact O-N 2.94Å
111	S	24.1	Very low	24.7	Very low	99 Å²	99	159.3 Å²	159.3	69%	0.692	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.2	168.5	44.1	0	0	0	0	108.7
112	H	24.4	Very low	24.7	Very low	186 Å²	186	159.9 Å²	159.9	86%	0.861	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.7	127.6	-176.9	-92.9	-83.9	0	0	0	111.9	R110 S114	R110-H112 PolarHBondContact O-N 2.94Å; H112-S114 PolarHBondContact O-N 3.28Å
113	Y	24.9	Very low	24.7	Very low	225 Å²	225	155.5 Å²	155.5	88%	0.882	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-57.8	116.2	163.5	-70.5	-93.7	0	0	0	110.7	N115	Y113-N115 PolarHBondContact O-N 3.48Å; Y113-N115 VanDerWaalsContact O-N 3.16Å
114	S	25.9	Very low	24.8	Very low	120 Å²	120	151 Å²	151	84%	0.839	75%	0.754	S	S	*	*			trans	-76.9	95.3	169.4	41.3	0	0	0	0	110.7	H112	H112-S114 PolarHBondContact O-N 3.28Å
115	N	23.6	Very low	25	Very low	133 Å²	133	145.2 Å²	145.2	71%	0.711	73%	0.732	S	S	*	*			trans	47.5	89.5	146.1	-147.2	-6.4	0	0	0	118.9	Y113 Y117	Y113-N115 PolarHBondContact O-N 3.48Å; Y113-N115 VanDerWaalsContact O-N 3.16Å; N115-Y117 VanDerWaalsContact C-N 3.31Å; N115-Y117 PolarHBondContact O-N 3.49Å; N115-Y117 VanDerWaalsContact O-N 3.14Å
116	P	26.3	Very low	25.3	Very low	104 Å²	104	140.3 Å²	140.3	68%	0.675	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	9.6	-173.9	29.9	-34.1	0	0	0	116.8	R118	P116-R118 PolarHBondContact O-N 3.19Å
117	Y	24.3	Very low	25.7	Very low	214 Å²	214	139.4 Å²	139.4	84%	0.839	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	3.3	-169.7	-92.2	-79.4	0	0	0	117.5	N115	N115-Y117 VanDerWaalsContact C-N 3.31Å; N115-Y117 PolarHBondContact O-N 3.49Å; N115-Y117 VanDerWaalsContact O-N 3.14Å
118	R	25.5	Very low	25.8	Very low	236 Å²	236	140.6 Å²	140.6	89%	0.891	68%	0.679	S	S	*	*	S	Bend	trans	-114	-9.7	175.6	-100.8	-176.2	174.4	178.4	-1.1	116.8	P116	P116-R118 PolarHBondContact O-N 3.19Å
119	L	27.1	Very low	26.1	Very low	115 Å²	115	140 Å²	140	60%	0.602	68%	0.681	S	S	*	*	S	Bend	trans	-85	-21.5	-175.5	-142.9	79.9	0	0	0	114.3	N121 Y122 M123	L119-N121 VanDerWaalsContact C-N 3.29Å; L119-N121 PolarHBondContact O-N 3.2Å; L119-Y122 PolarHBondContact O-N 3.43Å; L119-M123 HydrophobicContact CD2-CE 4.13Å; L119-M123 HydrophobicContact CD2-CG 4.36Å; L119-M123 HydrophobicContact CG-CG 4.42Å; L119-M123 PolarHBondContact O-N 2.8Å
120	K	27.7	Very low	26.4	Very low	167 Å²	167	134.9 Å²	134.9	73%	0.726	66%	0.659	S	S	*	*	H	α-helix	trans	-64.6	-30.3	-171.5	-158.3	171	-175.3	176.6	0	113.7
121	N	26.2	Very low	26.8	Very low	138 Å²	138	127.5 Å²	127.5	74%	0.738	64%	0.635	S	S	*	*	H	α-helix	trans	-85.8	-27.3	-179.8	-70.8	-8.3	0	0	0	113.3	L119	L119-N121 VanDerWaalsContact C-N 3.29Å; L119-N121 PolarHBondContact O-N 3.2Å
122	Y	27.5	Very low	26.9	Very low	158 Å²	158	130.1 Å²	130.1	62%	0.62	64%	0.642	S	S	*	*	H	α-helix	trans	-76.8	-41.8	-179.9	-161.4	-103.8	0	0	0	111.6	L119 N124 S125 I126	L119-Y122 PolarHBondContact O-N 3.43Å; Y122-N124 VanDerWaalsContact C-N 3.32Å; Y122-N124 PolarHBondContact O-N 3.22Å; Y122-S125 PolarHBondContact O-N 3.16Å; Y122-S125 PolarHBondContact O-OG 2.92Å; Y122-I126 HydrophobicContact CD1-CD1 3.91Å; Y122-I126 HydrophobicContact CE1-CD1 3.49Å; Y122-I126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-I126 HydrophobicContact CE1-CG1 4.49Å
123	M	26.2	Very low	26.9	Very low	103 Å²	103	126.4 Å²	126.4	51%	0.507	63%	0.626	S	S	.	*	H	α-helix	trans	-60.4	-36.5	177	-80.5	-73.9	-165.5	0	0	113.2	L119 S125 T127	L119-M123 HydrophobicContact CD2-CE 4.13Å; L119-M123 HydrophobicContact CD2-CG 4.36Å; L119-M123 HydrophobicContact CG-CG 4.42Å; L119-M123 PolarHBondContact O-N 2.8Å; M123-S125 VanDerWaalsContact C-N 3.29Å; M123-S125 PolarHBondContact O-N 3.37Å; M123-T127 PolarHBondContact O-N 2.85Å; M123-T127 VanDerWaalsContact O-N 3.17Å; M123-T127 PolarHBondContact O-OG1 2.83Å
124	N	28.5	Very low	26.9	Very low	103 Å²	103	123.9 Å²	123.9	55%	0.551	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-25.5	178.5	-89	-1.8	0	0	0	113.7	Y122 T127	Y122-N124 VanDerWaalsContact C-N 3.32Å; Y122-N124 PolarHBondContact O-N 3.22Å; N124-T127 WeakPolarHBondContact CA-OG1 3.48Å; N124-T127 PolarHBondContact O-OG1 3.2Å
125	S	27.2	Very low	27	Very low	65 Å²	65	123.7 Å²	123.7	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-80	-38.4	179.2	77.5	0	0	0	0	112.4	Y122 M123 T129	Y122-S125 PolarHBondContact O-N 3.16Å; Y122-S125 PolarHBondContact O-OG 2.92Å; M123-S125 VanDerWaalsContact C-N 3.29Å; M123-S125 PolarHBondContact O-N 3.37Å; S125-T129 PolarHBondContact O-N 3.49Å; S125-T129 PolarHBondContact O-OG1 2.82Å
126	I	29.2	Very low	27	Very low	61 Å²	61	122.8 Å²	122.8	31%	0.313	62%	0.615	S	S	.	*	H	α-helix	trans	-74.6	-39.9	-178.6	-63.3	177.3	0	0	0	110.9	Y122 K128 T129 C130	Y122-I126 HydrophobicContact CD1-CD1 3.91Å; Y122-I126 HydrophobicContact CE1-CD1 3.49Å; Y122-I126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-I126 HydrophobicContact CE1-CG1 4.49Å; I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 2.89Å; I126-T129 WeakPolarHBondContact CA-OG1 3.36Å; I126-T129 PolarHBondContact O-N 2.96Å; I126-T129 VanDerWaalsContact O-N 3.16Å; I126-T129 PolarHBondContact O-OG1 2.87Å; I126-C130 PolarHBondContact O-N 3.01Å
127	T	29.2	Very low	27	Very low	47 Å²	47	124.8 Å²	124.8	29%	0.288	62%	0.62	S	S	.	*	H	α-helix	trans	-62.6	-36.2	176.3	40.6	0	0	0	0	112.2	M123 N124 T129 C130 L131	M123-T127 PolarHBondContact O-N 2.85Å; M123-T127 VanDerWaalsContact O-N 3.17Å; M123-T127 PolarHBondContact O-OG1 2.83Å; N124-T127 WeakPolarHBondContact CA-OG1 3.48Å; N124-T127 PolarHBondContact O-OG1 3.2Å; T127-T129 VanDerWaalsContact C-N 3.35Å; T127-T129 PolarHBondContact O-N 2.86Å; T127-C130 PolarHBondContact O-N 2.82Å; T127-L131 PolarHBondContact O-N 2.78Å; T127-L131 VanDerWaalsContact O-N 3.09Å
128	K	26.9	Very low	27	Very low	170 Å²	170	123.9 Å²	123.9	74%	0.739	62%	0.615	S	S	*	*	H	α-helix	trans	-65	-32.7	173.6	-93	-173	172	-173	0	113.9	I126	I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 2.89Å
129	T	29.7	Very low	26.8	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.724	61%	0.609	S	S	*	*	H	α-helix	trans	-78.3	-26	177.9	41.6	0	0	0	0	113.8	S125 I126 T127	S125-T129 PolarHBondContact O-N 3.49Å; S125-T129 PolarHBondContact O-OG1 2.82Å; I126-T129 WeakPolarHBondContact CA-OG1 3.36Å; I126-T129 PolarHBondContact O-N 2.96Å; I126-T129 VanDerWaalsContact O-N 3.16Å; I126-T129 PolarHBondContact O-OG1 2.87Å; T127-T129 VanDerWaalsContact C-N 3.35Å; T127-T129 PolarHBondContact O-N 2.86Å
130	C	28.5	Very low	26.6	Very low	58 Å²	58	123 Å²	123	39%	0.392	63%	0.625	S	S	.	*	H	α-helix	trans	-83.5	-33.9	176.4	-103.2	0	0	0	0	112.9	I126 T127 C699	I126-C130 PolarHBondContact O-N 3.01Å; T127-C130 PolarHBondContact O-N 2.82Å; C130-C699 PolarHBondContact SG-O 2.81Å; C130-C699 VanDerWaalsContact SG-O 3.35Å
131	L	29.1	Very low	26.3	Very low	57 Å²	57	121.7 Å²	121.7	30%	0.298	63%	0.625	S	S	.	*			trans	-107.9	89.8	-179.7	-63	170.1	0	0	0	108	T127 M133 V739	T127-L131 PolarHBondContact O-N 2.78Å; T127-L131 VanDerWaalsContact O-N 3.09Å; L131-M133 HydrophobicContact CB-CG 4.31Å; L131-M133 HydrophobicContact CD2-CE 4.34Å; L131-M133 PolarHBondContact O-N 3.2Å; L131-V739 HydrophobicContact CD2-CB 4.22Å
132	N	26.5	Very low	26.2	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	63%	0.628	S	S	*	*			trans	-70.5	61.1	167.9	-143.5	16.4	0	0	0	108.9
133	M	25.4	Very low	25.8	Very low	108 Å²	108	126.3 Å²	126.3	53%	0.532	64%	0.642	S	S	.	*			trans	-103.2	71.3	178.7	-73.3	-167.7	176.2	0	0	108.4	L131 I136	L131-M133 HydrophobicContact CB-CG 4.31Å; L131-M133 HydrophobicContact CD2-CE 4.34Å; L131-M133 PolarHBondContact O-N 3.2Å; M133-I136 HydrophobicContact SD-CD1 4.45Å
134	E	25	Very low	25.7	Very low	172 Å²	172	131.7 Å²	131.7	80%	0.804	66%	0.656	S	S	*	*			trans	-74.8	124.7	159.2	-71.6	-172.2	161.8	0	0	107.8
135	S	26.7	Very low	25.4	Very low	116 Å²	116	134 Å²	134	81%	0.811	67%	0.668	S	S	*	*			trans	83.4	92.1	174.5	79.8	0	0	0	0	117.6
136	I	25.3	Very low	25.3	Very low	114 Å²	114	140.6 Å²	140.6	59%	0.585	69%	0.689	S	S	*	*			trans	-119.5	109.1	149.2	-60.9	177.6	0	0	0	106.7	M133	M133-I136 HydrophobicContact SD-CD1 4.45Å
137	N	25.2	Very low	25.1	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	71%	0.71	S	S	*	*			trans	-82	109.7	176	-166.8	-6.5	0	0	0	108.4	N139	N137-N139 PolarHBondContact O-N 3.44Å
138	W	25.1	Very low	24.9	Very low	195 Å²	195	146.5 Å²	146.5	74%	0.739	74%	0.736	S	S	*	*			trans	-76.1	18.4	-165	-82	90.2	0	0	0	116.5	M140	W138-M140 PolarHBondContact O-N 3.34Å
139	N	21.6	Very low	25	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	74%	0.742	S	S	*	*			trans	-98.1	41	-168.4	-78.5	-5.6	0	0	0	115.8	N137	N137-N139 PolarHBondContact O-N 3.44Å
140	M	22.2	Very low	24.8	Very low	191 Å²	191	152.7 Å²	152.7	94%	0.941	75%	0.749	S	S	*	*			trans	-131.7	78	163.9	-71.6	-165.9	-178.3	0	0	110.7	W138	W138-M140 PolarHBondContact O-N 3.34Å
141	I	22.4	Very low	24.6	Very low	140 Å²	140	156.5 Å²	156.5	72%	0.718	77%	0.766	S	S	*	*			trans	-93.4	103.8	169.6	-65.3	179.8	0	0	0	108.5
142	L	22.8	Very low	24.3	Very low	156 Å²	156	163.6 Å²	163.6	82%	0.817	80%	0.797	S	S	*	*			trans	46.9	110	130.7	-71.9	145.7	0	0	0	119.7
143	W	19.5	Very low	24.2	Very low	237 Å²	237	164.8 Å²	164.8	90%	0.898	80%	0.798	S	S	*	*			trans	-98.1	122.9	147.6	-83.2	82.2	0	0	0	110.5
144	R	24.1	Very low	24.1	Very low	215 Å²	215	168.2 Å²	168.2	81%	0.811	81%	0.812	S	S	*	*			trans	11.1	136.9	140.9	-104.9	175.8	-173.1	171.6	2.8	118.8
145	D	22.8	Very low	24	Very low	151 Å²	151	166.8 Å²	166.8	81%	0.807	81%	0.809	S	S	*	*				-167.6	158.7	90	-128.3	-25.5	0	0	0	114.8
146	K	25.2	Very low	23.7	Very low	205 Å²	205	172.4 Å²	172.4	89%	0.891	81%	0.812	S	S	*	*			trans	-77	136.2	179	-73.1	172.8	170.4	-179.7	0	111.6
147	G	23.8	Very low	23.7	Very low	72 Å²	72	172.9 Å²	172.9	74%	0.742	82%	0.815	S	S	*	*			trans	178.2	96.6	168	0	0	0	0	0	113.4
148	D	25.7	Very low	23.5	Very low	159 Å²	159	172 Å²	172	85%	0.85	82%	0.815	S	S	*	*			trans	29.4	113.6	153.2	-57.9	-29.4	0	0	0	121.2
149	F	28.9	Very low	23.4	Very low	197 Å²	197	169.5 Å²	169.5	86%	0.864	82%	0.816	S	S	*	*			trans	-33	130.1	153.3	-70	-98.6	0	0	0	113.5
150	Y	24.5	Very low	23.5	Very low	221 Å²	221	169.9 Å²	169.9	87%	0.867	82%	0.816	S	S	*	*			trans	-172.4	126.8	132.6	-96.7	-69.8	0	0	0	110
151	N	25.1	Very low	23.7	Very low	139 Å²	139	168.2 Å²	168.2	74%	0.743	81%	0.811	S	S	*	*			trans	60.6	101.8	165.1	-66.5	-17.6	0	0	0	117.7	Q153	N151-Q153 PolarHBondContact O-N 2.87Å
152	E	23.6	Very low	23.8	Very low	205 Å²	205	165.1 Å²	165.1	96%	0.958	81%	0.806	S	S	*	*			trans	-49.5	99.8	170.9	-65.7	176	165.3	0	0	111.4
153	Q	23.4	Very low	24.1	Very low	180 Å²	180	168.4 Å²	168.4	84%	0.841	81%	0.814	S	S	*	*			trans	-85.5	126.8	177.6	-75.2	-176.5	-4.1	0	0	110.3	N151	N151-Q153 PolarHBondContact O-N 2.87Å
154	H	23.3	Very low	24.5	Very low	180 Å²	180	159.6 Å²	159.6	83%	0.833	80%	0.797	S	S	*	*			trans	-31.8	135.9	156.8	-63.4	-61.2	0	0	0	112.7	R156	H154-R156 PolarHBondContact O-N 2.84Å
155	I	23	Very low	24.9	Very low	143 Å²	143	152.1 Å²	152.1	73%	0.733	78%	0.781	S	S	*	*			trans	-64.6	98.9	171.7	-61.3	172.8	0	0	0	108.5
156	R	20.4	Very low	25.4	Very low	234 Å²	234	147.6 Å²	147.6	88%	0.883	76%	0.755	S	S	*	*			trans	-80.2	113.4	161.3	-102.2	-177.9	179.1	179.1	0.9	108.4	H154 V158	H154-R156 PolarHBondContact O-N 2.84Å; R156-V158 PolarHBondContact O-N 2.83Å
157	L	24.7	Very low	26.1	Very low	124 Å²	124	141 Å²	141	65%	0.649	73%	0.729	S	S	*	*			trans	-70.6	113.1	172.6	-78.6	157.8	0	0	0	109.9
158	V	21.9	Very low	26.9	Very low	127 Å²	127	138.2 Å²	138.2	77%	0.77	70%	0.697	S	S	*	*			trans	-80.5	129	171.9	179	0	0	0	0	108.6	R156 I160	R156-V158 PolarHBondContact O-N 2.83Å; V158-I160 PolarHBondContact O-N 3.41Å; V158-I160 VanDerWaalsContact O-N 3.15Å
159	N	22	Very low	28	Very low	142 Å²	142	133.1 Å²	133.1	76%	0.759	68%	0.682	S	S	*	*			trans	-54.9	102.8	179.8	-160.2	6	0	0	0	111.6
160	I	24.8	Very low	29.2	Very low	149 Å²	149	124.2 Å²	124.2	76%	0.764	64%	0.642	S	S	*	*			trans	-99.7	110.6	167.8	-54	178.1	0	0	0	106.9	V158 A162	V158-I160 PolarHBondContact O-N 3.41Å; V158-I160 VanDerWaalsContact O-N 3.15Å; I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 2.85Å
161	N	25.3	Very low	30.7	Very low	157 Å²	157	116.9 Å²	116.9	84%	0.84	62%	0.619	S	S	*	*			trans	-54.6	88.3	171.5	-79.8	-32.7	0	0	0	110.9
162	A	24.7	Very low	32.2	Very low	74 Å²	74	112 Å²	112	61%	0.612	59%	0.594	S	S	*	*			trans	-151.1	119.4	162.6	0	0	0	0	0	107.8	I160 G164	I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 2.85Å; A162-G164 PolarHBondContact O-N 2.92Å
163	K	28.6	Very low	33.8	Very low	226 Å²	226	105.5 Å²	105.5	98%	0.983	57%	0.566	S	S	*	*	S	Bend	trans	-57.6	116.3	-178.1	-70.8	172.3	173	178.5	0	109.8
164	G	28.6	Very low	35.3	Very low	52 Å²	52	101 Å²	101	54%	0.536	55%	0.548	S	S	.	.			trans	108.2	81.9	174	0	0	0	0	0	113	A162	A162-G164 PolarHBondContact O-N 2.92Å
165	A	31.8	Very low	36.8	Very low	57 Å²	57	92.5 Å²	92.5	47%	0.471	51%	0.508	S	S	.	.			trans	-156.8	82.2	171.3	0	0	0	0	0	111.8	L167	A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 HydrophobicContact CB-CD1 3.95Å; A165-L167 HydrophobicContact CB-CG 4.36Å; A165-L167 PolarHBondContact O-N 3.2Å
166	H	33.9	Very low	38.4	Very low	56 Å²	56	92 Å²	92	26%	0.259	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	86.6	160.8	-68.1	-57.3	0	0	0	107.9	I506 L512 I758	H166-I506 HydrophobicContact CB-CD1 3.75Å; H166-L512 VanDerWaalsContact NE2-CD1 3.34Å; H166-L512 WeakPolarHBondContact NE2-CD1 3.41Å; H166-I758 PolarHBondContact O-N 2.91Å
167	L	40	Very low	40.2	Very low	68 Å²	68	85.7 Å²	85.7	36%	0.356	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.1	179.3	-80.6	149	0	0	0	109.8	A165 R755 T757	A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 HydrophobicContact CB-CD1 3.95Å; A165-L167 HydrophobicContact CB-CG 4.36Å; A165-L167 PolarHBondContact O-N 3.2Å; L167-R755 HydrophobicContact CD2-CG 3.85Å; L167-T757 HydrophobicContact CD2-CG2 4.31Å
168	F	41.9	Very low	42	Very low	13 Å²	13	86.7 Å²	86.7	6%	0.057	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.8	172.1	-165.1	-85.8	0	0	0	109.8	E170 S200 I202 L504 L694 V756	F168-E170 HydrophobicContact CE1-CB 4.48Å; F168-S200 WeakPolarHBondContact CE2-O 3.45Å; F168-S200 WeakPolarHBondContact CZ-O 3.41Å; F168-I202 HydrophobicContact CE1-CD1 3.76Å; F168-I202 HydrophobicContact CE1-CG1 3.49Å; F168-I202 VanDerWaalsContact CE1-CG1 3.49Å; F168-I202 HydrophobicContact CZ-CD1 4.22Å; F168-I202 HydrophobicContact CZ-CG1 3.42Å; F168-I202 VanDerWaalsContact CZ-CG1 3.42Å; F168-L504 HydrophobicContact CE1-CD2 4.27Å; F168-L504 HydrophobicContact CE2-CD2 4.48Å; F168-L504 HydrophobicContact CZ-CD2 4.24Å; F168-L694 HydrophobicContact CD1-CD2 4.04Å; F168-V756 PolarHBondContact N-O 2.68Å; F168-V756 PolarHBondContact O-N 3.1Å
169	G	48.7	Very low	44.5	Very low	52 Å²	52	82 Å²	82	54%	0.536	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	173.7	0	0	0	0	0	109.6
170	E	53.9	Low	47.5	Very low	9 Å²	9	78.2 Å²	78.2	4%	0.042	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	101.5	176	-167	174.5	176.6	0	0	108.6	F168 T172 L175 I202 S692 L693 L694	F168-E170 HydrophobicContact CE1-CB 4.48Å; E170-T172 PolarHBondContact O-N 3.03Å; E170-L175 HydrophobicContact CG-CD1 3.21Å; E170-L175 HydrophobicContact CG-CG 4.46Å; E170-L175 WeakPolarHBondContact OE1-CD1 3.42Å; E170-I202 HydrophobicContact CB-CD1 4.48Å; E170-I202 HydrophobicContact CG-CD1 3.82Å; E170-S692 WeakPolarHBondContact OE2-CA 3.31Å; E170-S692 WeakPolarHBondContact OE2-CB 3.35Å; E170-S692 PolarHBondContact OE2-OG 3.47Å; E170-L693 WeakPolarHBondContact OE1-CB 3.47Å; E170-L693 PolarHBondContact OE1-N 2.93Å; E170-L693 PolarHBondContact OE2-N 3.36Å; E170-L693 VanDerWaalsContact OE2-N 3.13Å; E170-L694 WeakPolarHBondContact OE2-CB 2.98Å; E170-L694 PolarHBondContact OE2-N 2.83Å
171	D	55.3	Low	50.5	Low	68 Å²	68	75.9 Å²	75.9	36%	0.364	42%	0.423	S	S	.	.			trans	-77.5	107.3	170.2	-166.8	-23.6	0	0	0	109	N173 D174 L175	D171-N173 PolarHBondContact O-N 2.93Å; D171-N173 WeakPolarHBondContact OD1-CB 3.38Å; D171-N173 PolarHBondContact OD1-N 3.07Å; D171-D174 HydrophobicContact CB-CB 4.33Å; D171-D174 PolarHBondContact O-N 2.99Å; D171-L175 WeakPolarHBondContact O-CG 3.4Å; D171-L175 PolarHBondContact O-N 3.37Å
172	T	56.3	Low	53.6	Low	37 Å²	37	74.3 Å²	74.3	23%	0.227	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.4	179	50.3	0	0	0	0	112.9	E170 L175 K176	E170-T172 PolarHBondContact O-N 3.03Å; T172-L175 PolarHBondContact O-N 3.22Å; T172-K176 PolarHBondContact O-N 3.01Å
173	N	57.2	Low	56.9	Low	68 Å²	68	74.9 Å²	74.9	36%	0.364	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-38.9	177.9	-71.1	-34.8	0	0	0	111.8	D171 L175 K176	D171-N173 PolarHBondContact O-N 2.93Å; D171-N173 WeakPolarHBondContact OD1-CB 3.38Å; D171-N173 PolarHBondContact OD1-N 3.07Å; N173-L175 PolarHBondContact O-N 3.48Å; N173-K176 PolarHBondContact O-N 3.32Å; N173-K176 PolarHBondContact OD1-NZ 3.29Å
174	D	54.3	Low	59.9	Low	86 Å²	86	67.2 Å²	67.2	46%	0.46	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-67.5	-23.4	174	-73.6	-16.9	0	0	0	112.5	D171 N177	D171-D174 HydrophobicContact CB-CB 4.33Å; D171-D174 PolarHBondContact O-N 2.99Å; D174-N177 PolarHBondContact O-ND2 3.14Å
175	L	54.8	Low	62.9	Low	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-83.8	-14.2	178.4	-73.7	173	0	0	0	115	E170 D171 T172 N173 N177 Y198 I689	E170-L175 HydrophobicContact CG-CD1 3.21Å; E170-L175 HydrophobicContact CG-CG 4.46Å; E170-L175 WeakPolarHBondContact OE1-CD1 3.42Å; D171-L175 WeakPolarHBondContact O-CG 3.4Å; D171-L175 PolarHBondContact O-N 3.37Å; T172-L175 PolarHBondContact O-N 3.22Å; N173-L175 PolarHBondContact O-N 3.48Å; L175-N177 PolarHBondContact O-N 3.4Å; L175-Y198 HydrophobicContact CD2-CD1 3.24Å; L175-Y198 HydrophobicContact CD2-CD2 4.32Å; L175-Y198 HydrophobicContact CD2-CE1 4.14Å; L175-Y198 HydrophobicContact CD2-CG 3.37Å; L175-I689 HydrophobicContact CB-CB 4.3Å; L175-I689 HydrophobicContact CB-CD1 3.73Å; L175-I689 HydrophobicContact CB-CG2 4.12Å; L175-I689 HydrophobicContact CD1-CD1 4.24Å; L175-I689 HydrophobicContact CD1-CG2 4.24Å; L175-I689 HydrophobicContact CD2-CD1 3.75Å; L175-I689 HydrophobicContact CG-CD1 4.14Å
176	K	56.5	Low	65.5	Low	131 Å²	131	65.6 Å²	65.6	57%	0.57	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-65.5	-6.7	-179.8	-83	172.5	-178.2	162.5	0	113.9	T172 N173 Q178	T172-K176 PolarHBondContact O-N 3.01Å; N173-K176 PolarHBondContact O-N 3.32Å; N173-K176 PolarHBondContact OD1-NZ 3.29Å; K176-Q178 PolarHBondContact O-N 2.81Å
177	N	58.8	Low	68.1	Low	102 Å²	102	68.1 Å²	68.1	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-61.9	100	171.5	-70.4	-32.4	0	0	0	109.6	D174 L175 M179	D174-N177 PolarHBondContact O-ND2 3.14Å; L175-N177 PolarHBondContact O-N 3.4Å; N177-M179 PolarHBondContact O-N 2.84Å
178	Q	63.5	Low	70.3	Confident	146 Å²	146	68.1 Å²	68.1	68%	0.682	35%	0.346	S	S	*	.			trans	-59	108.4	174.8	-72.9	-177.4	0.2	0	0	109.2	K176	K176-Q178 PolarHBondContact O-N 2.81Å
179	M	74.8	Confident	72.6	Confident	27 Å²	27	71.8 Å²	71.8	13%	0.133	36%	0.362	C	S	.	.			trans	-89.2	126.5	168.2	-58.8	-179.2	-152.4	0	0	108.7	N177 Y181 L196 A197 Y198 K686 S687	N177-M179 PolarHBondContact O-N 2.84Å; M179-Y181 HydrophobicContact CB-CD2 4.42Å; M179-Y181 HydrophobicContact CB-CE2 3.88Å; M179-Y181 HydrophobicContact SD-CE2 4.28Å; M179-L196 HydrophobicContact CB-CD2 4.25Å; M179-L196 HydrophobicContact SD-CB 4.16Å; M179-L196 HydrophobicContact SD-CD2 4.48Å; M179-A197 WeakPolarHBondContact CE-O 3.13Å; M179-Y198 HydrophobicContact CE-CD1 3.16Å; M179-Y198 HydrophobicContact CE-CD2 4.41Å; M179-Y198 HydrophobicContact CE-CE1 3.41Å; M179-Y198 VanDerWaalsContact CE-CE1 3.41Å; M179-Y198 HydrophobicContact CE-CG 3.72Å; M179-Y198 HydrophobicContact SD-CD1 4.43Å; M179-Y198 HydrophobicContact SD-CE1 4.19Å; M179-K686 CarbonylContact O-C 3.59Å; M179-K686 WeakPolarHBondContact O-CA 3.35Å; M179-S687 WeakPolarHBondContact CB-OG 3.27Å; M179-S687 PolarHBondContact N-OG 3.13Å; M179-S687 PolarHBondContact O-N 3.4Å; M179-S687 PolarHBondContact O-OG 3.18Å
180	S	83.4	Confident	74.5	Confident	63 Å²	63	70 Å²	70	44%	0.441	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.8	166.3	-177	0	0	0	0	110	E684 I685	S180-E684 PolarHBondContact OG-OE1 3.1Å; S180-I685 CarbonylContact C-O 3.56Å; S180-I685 VanDerWaalsContact CA-O 3.24Å; S180-I685 WeakPolarHBondContact CA-O 3.03Å
181	Y	88.1	Confident	76.4	Confident	101 Å²	101	74.2 Å²	74.2	40%	0.396	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.7	172.5	-65.6	-83.9	0	0	0	109.6	M179 L196 E684 I685	M179-Y181 HydrophobicContact CB-CD2 4.42Å; M179-Y181 HydrophobicContact CB-CE2 3.88Å; M179-Y181 HydrophobicContact SD-CE2 4.28Å; Y181-L196 HydrophobicContact CD2-CD2 3.4Å; Y181-L196 HydrophobicContact CE2-CD2 3.46Å; Y181-L196 VanDerWaalsContact CE2-CD2 3.46Å; Y181-E684 CarbonylContact O-C 3.59Å; Y181-E684 VanDerWaalsContact O-CA 3.32Å; Y181-E684 WeakPolarHBondContact O-CA 3.36Å; Y181-I685 PolarHBondContact N-O 2.7Å; Y181-I685 PolarHBondContact O-N 3.14Å
182	K	91.6	Very high	78.3	Confident	124 Å²	124	72 Å²	72	54%	0.539	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	178.4	-172.5	169.5	-173.1	153.2	0	110.5	T682 E684	K182-T682 WeakPolarHBondContact CE-OG1 3.39Å; K182-E684 HydrophobicContact CB-CB 4.34Å; K182-E684 HydrophobicContact CB-CG 4.07Å; K182-E684 HydrophobicContact CG-CB 4.2Å; K182-E684 HydrophobicContact CG-CG 4.37Å; K182-E684 IonicContact NZ-OE2 3.04Å
183	K	93.6	Very high	80.1	Confident	85 Å²	85	73.3 Å²	73.3	37%	0.37	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.9	175.6	-69.3	-172.3	177.3	-170.9	0	110.7	L192 S193 F194 T682 I683	K183-L192 HydrophobicContact CB-CD1 3.91Å; K183-L192 HydrophobicContact CB-CD2 4.25Å; K183-L192 HydrophobicContact CD-CB 4.46Å; K183-L192 HydrophobicContact CD-CD2 4.25Å; K183-S193 PolarHBondContact NZ-O 2.81Å; K183-F194 HydrophobicContact CB-CE1 4.02Å; K183-F194 HydrophobicContact CB-CZ 3.92Å; K183-F194 HydrophobicContact CD-CD1 4.25Å; K183-F194 HydrophobicContact CD-CE1 3.74Å; K183-F194 HydrophobicContact CD-CZ 3.91Å; K183-F194 HydrophobicContact CG-CD1 4.5Å; K183-F194 HydrophobicContact CG-CE1 3.68Å; K183-F194 HydrophobicContact CG-CZ 4.01Å; K183-T682 CarbonylContact O-C 3.54Å; K183-T682 VanDerWaalsContact O-CA 3.3Å; K183-T682 WeakPolarHBondContact O-CA 3.23Å; K183-I683 PolarHBondContact N-O 3.5Å; K183-I683 PolarHBondContact O-N 3.38Å
184	E	91.8	Very high	81.8	Confident	66 Å²	66	70.5 Å²	70.5	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.1	177.7	-176.8	174.2	176.2	0	0	110.9	T186 R680	E184-T186 HydrophobicContact CG-CG2 4.18Å; E184-R680 VanDerWaalsContact CD-CD 3.45Å; E184-R680 HydrophobicContact CG-CB 4.31Å; E184-R680 WeakPolarHBondContact OE1-CD 3.41Å; E184-R680 VanDerWaalsContact OE1-CG 3.28Å; E184-R680 WeakPolarHBondContact OE1-CG 3.45Å; E184-R680 IonicContact OE1-NE 3.65Å; E184-R680 VanDerWaalsContact OE2-CD 3.3Å; E184-R680 WeakPolarHBondContact OE2-CD 3.35Å; E184-R680 IonicContact OE2-CZ 3.1Å; E184-R680 IonicContact OE2-NE 3.93Å; E184-R680 IonicContact OE2-NH1 2.74Å; E184-R680 PolarHBondContact OE2-NH1 2.88Å
185	V	91.1	Very high	83.5	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.4	170.8	-178.1	0	0	0	0	107.6	D190 L192 I211 L213 L214 S681 I683	V185-D190 HydrophobicContact CG1-CB 4.24Å; V185-L192 HydrophobicContact CG2-CD1 4.25Å; V185-I211 HydrophobicContact CG1-CB 4.48Å; V185-I211 HydrophobicContact CG1-CG2 3.87Å; V185-I211 HydrophobicContact CG2-CD1 4.5Å; V185-I211 HydrophobicContact CG2-CG2 3.78Å; V185-L213 HydrophobicContact CG2-CD1 4.11Å; V185-L214 HydrophobicContact CG1-CG 4.24Å; V185-S681 PolarHBondContact N-O 3.05Å; V185-I683 HydrophobicContact CG2-CD1 4.43Å; V185-I683 HydrophobicContact CG2-CG1 4.19Å
186	T	86	Confident	85.1	Confident	72 Å²	72	70.2 Å²	70.2	44%	0.442	34%	0.344	S	S	.	.			trans	-108	-27.5	-169.7	60.4	0	0	0	0	113.1	E184 D190	E184-T186 HydrophobicContact CG-CG2 4.18Å; T186-D190 PolarHBondContact N-OD2 2.88Å; T186-D190 PolarHBondContact OG1-OD2 2.89Å
187	Q	88.4	Confident	86.3	Confident	108 Å²	108	66.4 Å²	66.4	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	-141.9	164.7	-179.4	57.1	179.1	1.7	0	0	111.3	D190	Q187-D190 VanDerWaalsContact CD-OD1 3.31Å; Q187-D190 HydrophobicContact CG-CB 4.36Å; Q187-D190 WeakPolarHBondContact CG-OD1 3.45Å; Q187-D190 WeakPolarHBondContact CG-OD2 3.31Å; Q187-D190 PolarHBondContact N-OD2 2.91Å; Q187-D190 PolarHBondContact NE2-OD1 2.79Å; Q187-D190 PolarHBondContact O-N 2.89Å
188	R	86.6	Confident	87.2	Confident	69 Å²	69	62 Å²	62	26%	0.26	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	138.1	173.4	-161.7	-176.4	-176	-159.5	4.6	109.9	D190 E216 T673	R188-D190 VanDerWaalsContact C-N 3.25Å; R188-D190 PolarHBondContact O-N 2.83Å; R188-E216 IonicContact CZ-OE1 3.77Å; R188-E216 IonicContact CZ-OE2 2.94Å; R188-E216 VanDerWaalsContact NE-CD 3.32Å; R188-E216 IonicContact NE-OE1 2.6Å; R188-E216 PolarHBondContact NE-OE1 3.07Å; R188-E216 IonicContact NE-OE2 3.29Å; R188-E216 PolarHBondContact NE-OE2 3.37Å; R188-E216 IonicContact NH2-OE1 3.44Å; R188-E216 IonicContact NH2-OE2 3.33Å; R188-E216 PolarHBondContact NH2-OE2 2.91Å; R188-T673 HydrophobicContact CB-CG2 4.15Å; R188-T673 HydrophobicContact CG-CG2 4.49Å
189	F	89.7	Confident	87.4	Confident	90 Å²	90	59.2 Å²	59.2	40%	0.395	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	28.1	-178	-47.6	-67.8	0	0	0	114.1	N210 I211 R212	F189-N210 HydrophobicContact CD1-CB 4.4Å; F189-I211 WeakPolarHBondContact CA-O 3.4Å; F189-I211 PolarHBondContact N-O 2.79Å; F189-R212 HydrophobicContact CD1-CG 4.06Å; F189-R212 HydrophobicContact CE1-CG 3.95Å
190	D	89.6	Confident	87.1	Confident	14 Å²	14	59.2 Å²	59.2	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	148	171.3	-101.4	-22.8	0	0	0	111.5	V185 T186 Q187 R188 N210 I211	V185-D190 HydrophobicContact CG1-CB 4.24Å; T186-D190 PolarHBondContact N-OD2 2.88Å; T186-D190 PolarHBondContact OG1-OD2 2.89Å; Q187-D190 VanDerWaalsContact CD-OD1 3.31Å; Q187-D190 HydrophobicContact CG-CB 4.36Å; Q187-D190 WeakPolarHBondContact CG-OD1 3.45Å; Q187-D190 WeakPolarHBondContact CG-OD2 3.31Å; Q187-D190 PolarHBondContact N-OD2 2.91Å; Q187-D190 PolarHBondContact NE2-OD1 2.79Å; Q187-D190 PolarHBondContact O-N 2.89Å; R188-D190 VanDerWaalsContact C-N 3.25Å; R188-D190 PolarHBondContact O-N 2.83Å; D190-N210 PolarHBondContact O-N 2.67Å; D190-I211 HydrophobicContact CB-CB 4.45Å; D190-I211 HydrophobicContact CB-CD1 4.38Å; D190-I211 WeakPolarHBondContact O-CB 3.33Å; D190-I211 WeakPolarHBondContact O-CD1 2.86Å; D190-I211 VanDerWaalsContact O-CG1 3.24Å; D190-I211 WeakPolarHBondContact O-CG1 3.24Å; D190-I211 PolarHBondContact O-N 2.78Å
191	N	94.2	Very high	86.6	Confident	98 Å²	98	57.1 Å²	57.1	52%	0.524	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	175.2	-64.2	-43.6	0	0	0	108.5	V208 K209 N210	N191-V208 CarbonylContact C-O 3.57Å; N191-V208 WeakPolarHBondContact CA-O 3.5Å; N191-K209 WeakPolarHBondContact OD1-CA 3.37Å; N191-K209 WeakPolarHBondContact OD1-CB 3.49Å; N191-N210 PolarHBondContact OD1-N 2.94Å
192	L	94.8	Very high	86	Confident	20 Å²	20	52.3 Å²	52.3	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.4	-178.8	-59.4	177.9	0	0	0	109.7	K183 V185 F194 N207 V208 I211 I683	K183-L192 HydrophobicContact CB-CD1 3.91Å; K183-L192 HydrophobicContact CB-CD2 4.25Å; K183-L192 HydrophobicContact CD-CB 4.46Å; K183-L192 HydrophobicContact CD-CD2 4.25Å; V185-L192 HydrophobicContact CG2-CD1 4.25Å; L192-F194 HydrophobicContact CB-CD2 4.47Å; L192-F194 HydrophobicContact CB-CE2 3.64Å; L192-F194 HydrophobicContact CB-CZ 4.13Å; L192-F194 HydrophobicContact CD1-CZ 4.37Å; L192-N207 CarbonylContact O-C 3.55Å; L192-N207 WeakPolarHBondContact O-CA 3.23Å; L192-V208 PolarHBondContact N-O 2.78Å; L192-V208 PolarHBondContact O-N 2.81Å; L192-I211 HydrophobicContact CB-CD1 4.08Å; L192-I211 HydrophobicContact CD1-CD1 3.6Å; L192-I211 HydrophobicContact CG-CD1 3.56Å; L192-I683 HydrophobicContact CD1-CB 4.32Å; L192-I683 HydrophobicContact CD1-CD1 4.3Å; L192-I683 HydrophobicContact CD1-CG1 4.48Å
193	S	94	Very high	85.7	Confident	66 Å²	66	47 Å²	47	46%	0.462	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.7	174.8	-65	0	0	0	0	110.8	K183 I206 N207	K183-S193 PolarHBondContact NZ-O 2.81Å; S193-I206 CarbonylContact C-O 3.58Å; S193-I206 WeakPolarHBondContact CA-O 3.42Å; S193-N207 VanDerWaalsContact CB-OD1 3.24Å; S193-N207 WeakPolarHBondContact CB-OD1 3.17Å; S193-N207 PolarHBondContact OG-OD1 2.78Å
194	F	92.9	Very high	85.4	Confident	8 Å²	8	43 Å²	43	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.7	178.7	-56.3	-100.9	0	0	0	108.9	K183 L192 I206 V208 I683 I685	K183-F194 HydrophobicContact CB-CE1 4.02Å; K183-F194 HydrophobicContact CB-CZ 3.92Å; K183-F194 HydrophobicContact CD-CD1 4.25Å; K183-F194 HydrophobicContact CD-CE1 3.74Å; K183-F194 HydrophobicContact CD-CZ 3.91Å; K183-F194 HydrophobicContact CG-CD1 4.5Å; K183-F194 HydrophobicContact CG-CE1 3.68Å; K183-F194 HydrophobicContact CG-CZ 4.01Å; L192-F194 HydrophobicContact CB-CD2 4.47Å; L192-F194 HydrophobicContact CB-CE2 3.64Å; L192-F194 HydrophobicContact CB-CZ 4.13Å; L192-F194 HydrophobicContact CD1-CZ 4.37Å; F194-I206 HydrophobicContact CB-CB 4.34Å; F194-I206 PolarHBondContact N-O 2.9Å; F194-I206 PolarHBondContact O-N 2.65Å; F194-V208 HydrophobicContact CD2-CG2 4.3Å; F194-V208 HydrophobicContact CE2-CG2 3.91Å; F194-I683 HydrophobicContact CE2-CG2 4.34Å; F194-I683 HydrophobicContact CZ-CB 4.38Å; F194-I683 HydrophobicContact CZ-CG2 4.06Å; F194-I685 HydrophobicContact CB-CD1 3.63Å; F194-I685 HydrophobicContact CD1-CB 4.46Å; F194-I685 HydrophobicContact CD1-CD1 3.79Å; F194-I685 HydrophobicContact CD1-CG1 4.02Å; F194-I685 HydrophobicContact CD2-CD1 3.4Å; F194-I685 HydrophobicContact CD2-CG1 4.26Å; F194-I685 HydrophobicContact CE1-CD1 4.22Å; F194-I685 HydrophobicContact CE1-CG1 4.1Å; F194-I685 HydrophobicContact CE2-CD1 3.89Å; F194-I685 HydrophobicContact CE2-CG1 4.36Å; F194-I685 HydrophobicContact CG-CD1 3.34Å; F194-I685 HydrophobicContact CG-CG1 4.09Å; F194-I685 HydrophobicContact CZ-CD1 4.26Å; F194-I685 HydrophobicContact CZ-CG1 4.27Å
195	L	90	Very high	85.4	Confident	82 Å²	82	42 Å²	42	43%	0.429	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.9	177.4	175.5	61.1	0	0	0	107.8	A197 H205	L195-A197 HydrophobicContact CG-CB 4.3Å; L195-H205 VanDerWaalsContact CD1-CE1 3.5Å; L195-H205 WeakPolarHBondContact CD1-CE1 3.2Å
196	L	87.7	Confident	85.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	94	171.4	-51	177.9	0	0	0	107	M179 Y181 Y198 S203 V204 I206 I563 I685	M179-L196 HydrophobicContact CB-CD2 4.25Å; M179-L196 HydrophobicContact SD-CB 4.16Å; M179-L196 HydrophobicContact SD-CD2 4.48Å; Y181-L196 HydrophobicContact CD2-CD2 3.4Å; Y181-L196 HydrophobicContact CE2-CD2 3.46Å; Y181-L196 VanDerWaalsContact CE2-CD2 3.46Å; L196-Y198 HydrophobicContact CB-CE2 3.71Å; L196-Y198 WeakPolarHBondContact O-CD2 3.35Å; L196-Y198 WeakPolarHBondContact O-CE2 3.49Å; L196-S203 CarbonylContact O-C 3.5Å; L196-S203 VanDerWaalsContact O-CA 3.31Å; L196-S203 WeakPolarHBondContact O-CA 3.17Å; L196-V204 HydrophobicContact CB-CB 4.24Å; L196-V204 HydrophobicContact CD1-CB 4.46Å; L196-V204 PolarHBondContact N-O 2.78Å; L196-V204 PolarHBondContact O-N 2.92Å; L196-I206 HydrophobicContact CD1-CD1 4.21Å; L196-I563 HydrophobicContact CD1-CD1 3.64Å; L196-I563 HydrophobicContact CD1-CG1 3.94Å; L196-I563 HydrophobicContact CD1-CG2 4.2Å; L196-I685 HydrophobicContact CD1-CG2 4.06Å; L196-I685 HydrophobicContact CD2-CG2 4.23Å
197	A	82.7	Confident	85.9	Confident	51 Å²	51	39.9 Å²	39.9	42%	0.421	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.8	-179	0	0	0	0	0	109.7	M179 L195	M179-A197 WeakPolarHBondContact CE-O 3.13Å; L195-A197 HydrophobicContact CG-CB 4.3Å
198	Y	76.8	Confident	86.2	Confident	9 Å²	9	34.7 Å²	34.7	4%	0.035	20%	0.198	C	C	.	.			trans	-89.8	147.8	-176.4	-64.1	-83.6	0	0	0	111.9	L175 M179 L196 S200 G201 I202 V204 S687 I689 L693	L175-Y198 HydrophobicContact CD2-CD1 3.24Å; L175-Y198 HydrophobicContact CD2-CD2 4.32Å; L175-Y198 HydrophobicContact CD2-CE1 4.14Å; L175-Y198 HydrophobicContact CD2-CG 3.37Å; M179-Y198 HydrophobicContact CE-CD1 3.16Å; M179-Y198 HydrophobicContact CE-CD2 4.41Å; M179-Y198 HydrophobicContact CE-CE1 3.41Å; M179-Y198 VanDerWaalsContact CE-CE1 3.41Å; M179-Y198 HydrophobicContact CE-CG 3.72Å; M179-Y198 HydrophobicContact SD-CD1 4.43Å; M179-Y198 HydrophobicContact SD-CE1 4.19Å; L196-Y198 HydrophobicContact CB-CE2 3.71Å; L196-Y198 WeakPolarHBondContact O-CD2 3.35Å; L196-Y198 WeakPolarHBondContact O-CE2 3.49Å; Y198-S200 PolarHBondContact O-N 3.17Å; Y198-S200 VanDerWaalsContact O-N 3.07Å; Y198-G201 PolarHBondContact O-N 3.15Å; Y198-I202 WeakPolarHBondContact CB-O 3.45Å; Y198-I202 HydrophobicContact CD2-CB 4.43Å; Y198-I202 HydrophobicContact CD2-CG2 4.33Å; Y198-I202 WeakPolarHBondContact CD2-O 3.39Å; Y198-I202 PolarHBondContact N-O 3.47Å; Y198-V204 HydrophobicContact CE2-CG2 4.02Å; Y198-S687 WeakPolarHBondContact OH-CB 3.47Å; Y198-I689 HydrophobicContact CD1-CD1 3.77Å; Y198-I689 HydrophobicContact CE1-CD1 3.21Å; Y198-I689 HydrophobicContact CE1-CG1 4.3Å; Y198-I689 HydrophobicContact CE2-CD1 4.37Å; Y198-L693 HydrophobicContact CD2-CD1 4Å; Y198-L693 HydrophobicContact CE2-CD1 3.55Å
199	P	68.5	Low	86.5	Confident	87 Å²	87	34.4 Å²	34.4	57%	0.565	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.4	178.6	-25.8	34.5	0	0	0	114.2	G201	P199-G201 PolarHBondContact O-N 3.26Å
200	S	67.3	Low	86.7	Confident	28 Å²	28	34 Å²	34	20%	0.196	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.3	176.2	56.9	0	0	0	0	113.8	F168 Y198 I202	F168-S200 WeakPolarHBondContact CE2-O 3.45Å; F168-S200 WeakPolarHBondContact CZ-O 3.41Å; Y198-S200 PolarHBondContact O-N 3.17Å; Y198-S200 VanDerWaalsContact O-N 3.07Å; S200-I202 WeakPolarHBondContact OG-CG1 3.27Å; S200-I202 PolarHBondContact OG-N 3.32Å
201	G	72.4	Confident	86.8	Confident	19 Å²	19	33.4 Å²	33.4	20%	0.196	20%	0.197	C	C	.	.	S	Bend	trans	94.9	-2.7	-170.9	0	0	0	0	0	113.3	Y198 P199 E505	Y198-G201 PolarHBondContact O-N 3.15Å; P199-G201 PolarHBondContact O-N 3.26Å; G201-E505 PolarHBondContact O-N 3.22Å
202	I	76.6	Confident	86.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.3	167.1	-56.3	-168.5	0	0	0	108.9	F168 E170 Y198 S200 V204 L502 L504 L693 L694	F168-I202 HydrophobicContact CE1-CD1 3.76Å; F168-I202 HydrophobicContact CE1-CG1 3.49Å; F168-I202 VanDerWaalsContact CE1-CG1 3.49Å; F168-I202 HydrophobicContact CZ-CD1 4.22Å; F168-I202 HydrophobicContact CZ-CG1 3.42Å; F168-I202 VanDerWaalsContact CZ-CG1 3.42Å; E170-I202 HydrophobicContact CB-CD1 4.48Å; E170-I202 HydrophobicContact CG-CD1 3.82Å; Y198-I202 WeakPolarHBondContact CB-O 3.45Å; Y198-I202 HydrophobicContact CD2-CB 4.43Å; Y198-I202 HydrophobicContact CD2-CG2 4.33Å; Y198-I202 WeakPolarHBondContact CD2-O 3.39Å; Y198-I202 PolarHBondContact N-O 3.47Å; S200-I202 WeakPolarHBondContact OG-CG1 3.27Å; S200-I202 PolarHBondContact OG-N 3.32Å; I202-V204 HydrophobicContact CG2-CG2 4.48Å; I202-L502 HydrophobicContact CG2-CD1 3.71Å; I202-L502 HydrophobicContact CG2-CD2 3.99Å; I202-L502 HydrophobicContact CG2-CG 3.82Å; I202-L504 HydrophobicContact CB-CD2 4.36Å; I202-L504 HydrophobicContact CD1-CD2 4.23Å; I202-L504 HydrophobicContact CG1-CD2 3.67Å; I202-L693 HydrophobicContact CD1-CB 4.39Å; I202-L693 HydrophobicContact CG2-CD1 4.1Å; I202-L694 HydrophobicContact CD1-CB 4.39Å
203	S	85.1	Confident	86.5	Confident	13 Å²	13	30.3 Å²	30.3	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.6	170.3	-76.2	0	0	0	0	110.7	L196 L502 T503	L196-S203 CarbonylContact O-C 3.5Å; L196-S203 VanDerWaalsContact O-CA 3.31Å; L196-S203 WeakPolarHBondContact O-CA 3.17Å; S203-L502 CarbonylContact O-C 3.57Å; S203-L502 WeakPolarHBondContact O-CA 3.28Å; S203-T503 WeakPolarHBondContact CB-OG1 3.39Å; S203-T503 PolarHBondContact N-O 2.73Å; S203-T503 PolarHBondContact O-N 3.47Å
204	V	87.9	Confident	86.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.3	174.6	-175.7	0	0	0	0	109.2	L196 Y198 I202 I206 L502 I563 L693	L196-V204 HydrophobicContact CB-CB 4.24Å; L196-V204 HydrophobicContact CD1-CB 4.46Å; L196-V204 PolarHBondContact N-O 2.78Å; L196-V204 PolarHBondContact O-N 2.92Å; Y198-V204 HydrophobicContact CE2-CG2 4.02Å; I202-V204 HydrophobicContact CG2-CG2 4.48Å; V204-I206 HydrophobicContact CG1-CD1 4.28Å; V204-I206 HydrophobicContact CG1-CG1 4.05Å; V204-L502 HydrophobicContact CG2-CD1 4.31Å; V204-L502 HydrophobicContact CG2-CG 4.48Å; V204-I563 HydrophobicContact CB-CD1 4.13Å; V204-I563 HydrophobicContact CG1-CD1 3.75Å; V204-I563 HydrophobicContact CG2-CD1 4.1Å; V204-L693 HydrophobicContact CG2-CD1 3.92Å
205	H	91.9	Very high	86.3	Confident	46 Å²	46	27.3 Å²	27.3	21%	0.213	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.7	176.4	-61.6	-104.4	0	0	0	108.9	L195 T500 W501 T503	L195-H205 VanDerWaalsContact CD1-CE1 3.5Å; L195-H205 WeakPolarHBondContact CD1-CE1 3.2Å; H205-T500 WeakPolarHBondContact O-CA 3.03Å; H205-T500 WeakPolarHBondContact O-CB 3.4Å; H205-T500 PolarHBondContact O-OG1 2.68Å; H205-W501 HydrophobicContact CB-CD2 3.62Å; H205-W501 HydrophobicContact CB-CE3 3.98Å; H205-W501 HydrophobicContact CB-CG 4.21Å; H205-W501 HydrophobicContact CB-CH2 3.71Å; H205-W501 HydrophobicContact CB-CZ2 3.34Å; H205-W501 HydrophobicContact CB-CZ3 4.03Å; H205-W501 AromaticContact CD2-CD1 3.91Å; H205-W501 AromaticContact CD2-CE2 3.94Å; H205-W501 AromaticContact CD2-NE1 3.4Å; H205-W501 PolarHBondContact CD2-NE1 3.46Å; H205-W501 AromaticContact CG-CE2 3.48Å; H205-W501 VanDerWaalsContact CG-CE2 3.48Å; H205-W501 AromaticContact CG-CZ2 3.56Å; H205-W501 AromaticContact CG-NE1 3.43Å; H205-W501 PolarHBondContact N-O 3.01Å; H205-W501 AromaticContact ND1-CZ2 3.71Å; H205-W501 PolarHBondContact O-N 2.65Å; H205-W501 VanDerWaalsContact O-N 3.1Å; H205-T503 PolarHBondContact NE2-OG1 3.5Å
206	I	92.8	Very high	86.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	113.8	178.2	-55.5	170.9	0	0	0	108.3	S193 F194 L196 V204 V208 I498 L558 I563 L565 I685	S193-I206 CarbonylContact C-O 3.58Å; S193-I206 WeakPolarHBondContact CA-O 3.42Å; F194-I206 HydrophobicContact CB-CB 4.34Å; F194-I206 PolarHBondContact N-O 2.9Å; F194-I206 PolarHBondContact O-N 2.65Å; L196-I206 HydrophobicContact CD1-CD1 4.21Å; V204-I206 HydrophobicContact CG1-CD1 4.28Å; V204-I206 HydrophobicContact CG1-CG1 4.05Å; I206-V208 HydrophobicContact CG2-CG2 4.26Å; I206-I498 HydrophobicContact CG2-CG2 4.05Å; I206-L558 HydrophobicContact CD1-CD1 4.43Å; I206-I563 HydrophobicContact CD1-CG2 3.82Å; I206-L565 HydrophobicContact CG2-CD1 4.5Å; I206-I685 HydrophobicContact CB-CD1 3.95Å; I206-I685 HydrophobicContact CD1-CD1 3.76Å; I206-I685 HydrophobicContact CD1-CG2 4.02Å; I206-I685 HydrophobicContact CG1-CD1 4.45Å; I206-I685 HydrophobicContact CG2-CD1 3.78Å
207	N	94.2	Very high	86.7	Confident	29 Å²	29	23.6 Å²	23.6	16%	0.155	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.5	173.2	-75.3	-15.8	0	0	0	109.2	L192 S193 K209 I498 E499 W501	L192-N207 CarbonylContact O-C 3.55Å; L192-N207 WeakPolarHBondContact O-CA 3.23Å; S193-N207 VanDerWaalsContact CB-OD1 3.24Å; S193-N207 WeakPolarHBondContact CB-OD1 3.17Å; S193-N207 PolarHBondContact OG-OD1 2.78Å; N207-K209 HydrophobicContact CB-CG 4.48Å; N207-I498 CarbonylContact O-C 3.6Å; N207-I498 WeakPolarHBondContact O-CA 3.34Å; N207-E499 HydrophobicContact CB-CB 4.19Å; N207-E499 PolarHBondContact N-O 3.15Å; N207-E499 PolarHBondContact O-N 3.49Å; N207-W501 HydrophobicContact CB-CZ3 4.47Å; N207-W501 VanDerWaalsContact ND2-CH2 3.31Å; N207-W501 WeakPolarHBondContact ND2-CH2 3.42Å; N207-W501 WeakPolarHBondContact ND2-CZ3 3.46Å
208	V	94.3	Very high	87.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.6	171.8	-167.1	0	0	0	0	107.3	N191 L192 F194 I206 I211 Y496 T497 L565 I683	N191-V208 CarbonylContact C-O 3.57Å; N191-V208 WeakPolarHBondContact CA-O 3.5Å; L192-V208 PolarHBondContact N-O 2.78Å; L192-V208 PolarHBondContact O-N 2.81Å; F194-V208 HydrophobicContact CD2-CG2 4.3Å; F194-V208 HydrophobicContact CE2-CG2 3.91Å; I206-V208 HydrophobicContact CG2-CG2 4.26Å; V208-I211 HydrophobicContact CB-CD1 4.1Å; V208-I211 HydrophobicContact CB-CG1 4.37Å; V208-I211 HydrophobicContact CG1-CD1 3.85Å; V208-I211 HydrophobicContact CG1-CG1 3.67Å; V208-Y496 HydrophobicContact CG1-CD2 3.73Å; V208-Y496 HydrophobicContact CG1-CE2 4.41Å; V208-Y496 HydrophobicContact CG1-CG 3.79Å; V208-T497 CarbonylContact C-O 3.49Å; V208-L565 HydrophobicContact CG2-CD1 3.7Å; V208-I683 HydrophobicContact CB-CD1 4.41Å; V208-I683 HydrophobicContact CG1-CD1 3.73Å
209	K	93.5	Very high	88.1	Confident	62 Å²	62	22.6 Å²	22.6	27%	0.27	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.6	-173.2	-60.9	-175.8	-176	174.1	0	112.2	N191 N207 I211 T497 E499	N191-K209 WeakPolarHBondContact OD1-CA 3.37Å; N191-K209 WeakPolarHBondContact OD1-CB 3.49Å; N207-K209 HydrophobicContact CB-CG 4.48Å; K209-I211 VanDerWaalsContact C-N 3.33Å; K209-I211 PolarHBondContact O-N 2.77Å; K209-T497 PolarHBondContact N-O 3.15Å; K209-T497 PolarHBondContact O-N 3.5Å; K209-E499 VanDerWaalsContact CE-OE2 3.3Å; K209-E499 WeakPolarHBondContact CE-OE2 3.29Å; K209-E499 IonicContact NZ-OE1 3.54Å; K209-E499 PolarHBondContact NZ-OE1 2.97Å; K209-E499 IonicContact NZ-OE2 3.2Å; K209-E499 PolarHBondContact NZ-OE2 2.85Å
210	N	92.8	Very high	89.4	Confident	83 Å²	83	19.7 Å²	19.7	44%	0.444	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	46.8	174.4	-60.3	-39.1	0	0	0	112.6	F189 D190 N191 R212	F189-N210 HydrophobicContact CD1-CB 4.4Å; D190-N210 PolarHBondContact O-N 2.67Å; N191-N210 PolarHBondContact OD1-N 2.94Å; N210-R212 PolarHBondContact O-N 2.78Å
211	I	92.8	Very high	90.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.3	-173	-57.7	161.3	0	0	0	111.5	V185 F189 D190 L192 V208 K209 L213 Y496 I683	V185-I211 HydrophobicContact CG1-CB 4.48Å; V185-I211 HydrophobicContact CG1-CG2 3.87Å; V185-I211 HydrophobicContact CG2-CD1 4.5Å; V185-I211 HydrophobicContact CG2-CG2 3.78Å; F189-I211 WeakPolarHBondContact CA-O 3.4Å; F189-I211 PolarHBondContact N-O 2.79Å; D190-I211 HydrophobicContact CB-CB 4.45Å; D190-I211 HydrophobicContact CB-CD1 4.38Å; D190-I211 WeakPolarHBondContact O-CB 3.33Å; D190-I211 WeakPolarHBondContact O-CD1 2.86Å; D190-I211 VanDerWaalsContact O-CG1 3.24Å; D190-I211 WeakPolarHBondContact O-CG1 3.24Å; D190-I211 PolarHBondContact O-N 2.78Å; L192-I211 HydrophobicContact CB-CD1 4.08Å; L192-I211 HydrophobicContact CD1-CD1 3.6Å; L192-I211 HydrophobicContact CG-CD1 3.56Å; V208-I211 HydrophobicContact CB-CD1 4.1Å; V208-I211 HydrophobicContact CB-CG1 4.37Å; V208-I211 HydrophobicContact CG1-CD1 3.85Å; V208-I211 HydrophobicContact CG1-CG1 3.67Å; K209-I211 VanDerWaalsContact C-N 3.33Å; K209-I211 PolarHBondContact O-N 2.77Å; I211-L213 HydrophobicContact CG2-CB 4.09Å; I211-L213 HydrophobicContact CG2-CD1 3.75Å; I211-L213 HydrophobicContact CG2-CG 3.75Å; I211-Y496 HydrophobicContact CG2-CD1 4.48Å; I211-I683 HydrophobicContact CD1-CD1 3.72Å; I211-I683 HydrophobicContact CG1-CD1 4.11Å; I211-I683 HydrophobicContact CG2-CD1 4.11Å
212	R	91.6	Very high	91.6	Very high	53 Å²	53	25 Å²	25	20%	0.2	12%	0.121	C	C	.	.			trans	-125.5	54.7	179.1	-61.7	-178.2	73.6	-173.5	-4.5	111.2	F189 N210 E216 P492 I495	F189-R212 HydrophobicContact CD1-CG 4.06Å; F189-R212 HydrophobicContact CE1-CG 3.95Å; N210-R212 PolarHBondContact O-N 2.78Å; R212-E216 IonicContact CZ-OE1 2.68Å; R212-E216 IonicContact CZ-OE2 2.65Å; R212-E216 IonicContact NE-OE1 2.64Å; R212-E216 PolarHBondContact NE-OE1 3.38Å; R212-E216 IonicContact NE-OE2 3.54Å; R212-E216 VanDerWaalsContact NH2-CD 3.25Å; R212-E216 IonicContact NH2-OE1 3.51Å; R212-E216 PolarHBondContact NH2-OE1 2.69Å; R212-E216 VanDerWaalsContact NH2-OE1 3.16Å; R212-E216 IonicContact NH2-OE2 3.95Å; R212-E216 PolarHBondContact NH2-OE2 2.77Å; R212-P492 HydrophobicContact CB-CB 3.9Å; R212-P492 HydrophobicContact CB-CG 3.97Å; R212-I495 PolarHBondContact N-O 3.04Å
213	L	90.4	Very high	92.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.			trans	-90.9	-14.6	176.7	-72.4	172.9	0	0	0	113.7	V185 I211 I495 Y496 L551 H567 I683	V185-L213 HydrophobicContact CG2-CD1 4.11Å; I211-L213 HydrophobicContact CG2-CB 4.09Å; I211-L213 HydrophobicContact CG2-CD1 3.75Å; I211-L213 HydrophobicContact CG2-CG 3.75Å; L213-I495 HydrophobicContact CD2-CG2 3.41Å; L213-I495 VanDerWaalsContact CD2-CG2 3.41Å; L213-I495 HydrophobicContact CG-CG2 4.04Å; L213-Y496 HydrophobicContact CD1-CD1 4.44Å; L213-Y496 HydrophobicContact CD1-CE1 4.29Å; L213-Y496 HydrophobicContact CD2-CE1 4.23Å; L213-Y496 HydrophobicContact CG-CD1 4.37Å; L213-Y496 HydrophobicContact CG-CE1 4.42Å; L213-L551 HydrophobicContact CD2-CD1 4.47Å; L213-H567 HydrophobicContact CD1-CB 3.69Å; L213-H567 HydrophobicContact CD2-CB 4.2Å; L213-H567 WeakPolarHBondContact CD2-CD2 3.36Å; L213-I683 HydrophobicContact CD1-CD1 3.81Å; L213-I683 HydrophobicContact CD1-CG1 3.63Å
214	L	91.3	Very high	92.5	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	17%	0.172	C	C	.	.	S	Bend	trans	-75.3	131.8	174.6	-61.7	-178.5	0	0	0	109.5	V185 E216 T659 T673 K675	V185-L214 HydrophobicContact CG1-CG 4.24Å; L214-E216 PolarHBondContact O-N 2.87Å; L214-T659 HydrophobicContact CD1-CG2 3.61Å; L214-T673 HydrophobicContact CB-CG2 3.78Å; L214-T673 HydrophobicContact CD1-CG2 4.09Å; L214-K675 HydrophobicContact CD1-CB 4.47Å; L214-K675 HydrophobicContact CD2-CB 4.24Å
215	P	91.7	Very high	92.8	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	18%	0.179	C	C	.	.			trans	-57.5	126.8	178.9	-25.8	34.3	0	0	0	112.2	Y217 L571 I573 L674	P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 HydrophobicContact CB-CE2 3.71Å; P215-L571 HydrophobicContact CG-CB 3.99Å; P215-L571 HydrophobicContact CG-CD1 4.04Å; P215-I573 HydrophobicContact CG-CD1 4.41Å; P215-I573 HydrophobicContact CG-CG1 4.12Å; P215-L674 PolarHBondContact O-N 3.4Å
216	E	91.7	Very high	92.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.7	176.7	-61.6	-174.5	-159	0	0	109.7	R188 R212 L214 H489 R490 L671 Y672	R188-E216 IonicContact CZ-OE1 3.77Å; R188-E216 IonicContact CZ-OE2 2.94Å; R188-E216 VanDerWaalsContact NE-CD 3.32Å; R188-E216 IonicContact NE-OE1 2.6Å; R188-E216 PolarHBondContact NE-OE1 3.07Å; R188-E216 IonicContact NE-OE2 3.29Å; R188-E216 PolarHBondContact NE-OE2 3.37Å; R188-E216 IonicContact NH2-OE1 3.44Å; R188-E216 IonicContact NH2-OE2 3.33Å; R188-E216 PolarHBondContact NH2-OE2 2.91Å; R212-E216 IonicContact CZ-OE1 2.68Å; R212-E216 IonicContact CZ-OE2 2.65Å; R212-E216 IonicContact NE-OE1 2.64Å; R212-E216 PolarHBondContact NE-OE1 3.38Å; R212-E216 IonicContact NE-OE2 3.54Å; R212-E216 VanDerWaalsContact NH2-CD 3.25Å; R212-E216 IonicContact NH2-OE1 3.51Å; R212-E216 PolarHBondContact NH2-OE1 2.69Å; R212-E216 VanDerWaalsContact NH2-OE1 3.16Å; R212-E216 IonicContact NH2-OE2 3.95Å; R212-E216 PolarHBondContact NH2-OE2 2.77Å; L214-E216 PolarHBondContact O-N 2.87Å; E216-H489 PolarHBondContact O-ND1 2.64Å; E216-R490 PolarHBondContact O-N 3.23Å; E216-L671 HydrophobicContact CB-CD1 4.27Å; E216-Y672 WeakPolarHBondContact CA-O 3.27Å
217	Y	94.1	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.4	180	-74.6	-94.5	0	0	0	110.4	P215 V487 Q488 H489 W574 A577 L589 L671 Y672 L674	P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 HydrophobicContact CB-CE2 3.71Å; Y217-V487 HydrophobicContact CD1-CB 4.25Å; Y217-V487 HydrophobicContact CD1-CG2 3.6Å; Y217-V487 HydrophobicContact CE1-CG2 4.4Å; Y217-V487 HydrophobicContact CG-CG2 3.96Å; Y217-Q488 CarbonylContact C-O 3.51Å; Y217-Q488 VanDerWaalsContact CA-O 3.32Å; Y217-Q488 WeakPolarHBondContact CA-O 3.29Å; Y217-H489 HydrophobicContact CD1-CB 4.06Å; Y217-H489 HydrophobicContact CE1-CB 3.7Å; Y217-W574 VanDerWaalsContact CE1-O 3.28Å; Y217-W574 WeakPolarHBondContact CE1-O 3.27Å; Y217-W574 PolarHBondContact OH-N 3.32Å; Y217-W574 VanDerWaalsContact OH-N 3.07Å; Y217-W574 PolarHBondContact OH-O 3.46Å; Y217-A577 HydrophobicContact CD1-CB 4.31Å; Y217-A577 HydrophobicContact CE1-CB 3.71Å; Y217-L589 HydrophobicContact CE2-CD2 4.04Å; Y217-L671 CarbonylContact O-C 3.47Å; Y217-L671 WeakPolarHBondContact O-CA 3.35Å; Y217-Y672 PolarHBondContact N-O 2.81Å; Y217-Y672 PolarHBondContact O-N 2.78Å; Y217-L674 HydrophobicContact CD2-CD1 3.75Å; Y217-L674 HydrophobicContact CD2-CG 4.44Å; Y217-L674 HydrophobicContact CE2-CD1 4.01Å
218	E	94.9	Very high	92.7	Very high	32 Å²	32	35.2 Å²	35.2	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.4	171.4	-75.1	177.1	179.1	0	0	109.9	V487 Q488 R490 T665 A669 F670 L671	E218-V487 CarbonylContact O-C 3.57Å; E218-V487 WeakPolarHBondContact O-CA 3.36Å; E218-V487 WeakPolarHBondContact O-CB 3.3Å; E218-Q488 PolarHBondContact N-O 3.05Å; E218-Q488 PolarHBondContact O-N 2.95Å; E218-R490 HydrophobicContact CB-CG 4.04Å; E218-R490 HydrophobicContact CG-CG 3.74Å; E218-R490 IonicContact OE2-CZ 3.59Å; E218-R490 IonicContact OE2-NE 2.65Å; E218-R490 PolarHBondContact OE2-NE 3.43Å; E218-R490 IonicContact OE2-NH2 2.72Å; E218-R490 PolarHBondContact OE2-NH2 3.31Å; E218-R490 VanDerWaalsContact OE2-NH2 3.09Å; E218-T665 HydrophobicContact CG-CG2 4.48Å; E218-A669 HydrophobicContact CB-CB 4.2Å; E218-A669 HydrophobicContact CG-CB 4.41Å; E218-F670 WeakPolarHBondContact CA-O 3.37Å; E218-L671 HydrophobicContact CG-CD1 3.94Å
219	D	95	Very high	92.4	Very high	6 Å²	6	36 Å²	36	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	141	170.3	79.7	-40.4	0	0	0	111.2	C254 R255 H486 V487 A669 F670	D219-C254 HydrophobicContact CB-CB 3.93Å; D219-R255 PolarHBondContact O-NH2 2.82Å; D219-R255 IonicContact OD1-CZ 3.82Å; D219-R255 IonicContact OD1-NE 3.39Å; D219-R255 PolarHBondContact OD1-NE 2.87Å; D219-R255 VanDerWaalsContact OD1-NE 3.1Å; D219-R255 IonicContact OD1-NH2 3.41Å; D219-R255 PolarHBondContact OD1-NH2 2.75Å; D219-R255 VanDerWaalsContact OD2-CB 3.24Å; D219-R255 WeakPolarHBondContact OD2-CB 3.48Å; D219-R255 VanDerWaalsContact OD2-CG 3.26Å; D219-R255 WeakPolarHBondContact OD2-CG 3.38Å; D219-R255 IonicContact OD2-CZ 3.62Å; D219-R255 PolarHBondContact OD2-N 3.11Å; D219-R255 IonicContact OD2-NE 3.37Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-H486 WeakPolarHBondContact CA-O 3.26Å; D219-V487 HydrophobicContact CB-CG1 4.5Å; D219-A669 VanDerWaalsContact OD1-C 3.31Å; D219-A669 WeakPolarHBondContact OD1-CA 3.35Å; D219-A669 VanDerWaalsContact OD1-CB 3.31Å; D219-A669 WeakPolarHBondContact OD1-CB 3.39Å; D219-F670 HydrophobicContact CB-CB 4.49Å; D219-F670 PolarHBondContact N-O 3.21Å; D219-F670 PolarHBondContact OD1-N 3.35Å
220	V	94.7	Very high	92.3	Very high	27 Å²	27	33.1 Å²	33.1	16%	0.164	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-80.5	136.2	-174.4	178.7	0	0	0	0	110.6	H222 Y256 H486 Q488	V220-H222 PolarHBondContact O-CD2 2.97Å; V220-H222 VanDerWaalsContact O-CD2 3.31Å; V220-Y256 WeakPolarHBondContact O-CD2 3.24Å; V220-H486 WeakPolarHBondContact CB-ND1 3.42Å; V220-H486 PolarHBondContact N-O 2.81Å; V220-Q488 HydrophobicContact CG2-CB 3.66Å
221	E	93.5	Very high	92.1	Very high	130 Å²	130	31.8 Å²	31.8	61%	0.607	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-80.4	126.9	172	-169.6	166.8	172.5	0	0	110.6	R255 Y256	E221-R255 IonicContact OE2-NH1 3.2Å; E221-R255 PolarHBondContact OE2-NH1 3.34Å; E221-Y256 HydrophobicContact CG-CE2 4.32Å
222	H	93.3	Very high	91.7	Very high	28 Å²	28	34 Å²	34	13%	0.13	19%	0.186	C	C	.	.			trans	-114.6	133.3	-179.8	-69.2	-78.8	0	0	0	110.9	V220 A224 Y256 H486 F622	V220-H222 PolarHBondContact O-CD2 2.97Å; V220-H222 VanDerWaalsContact O-CD2 3.31Å; H222-A224 WeakPolarHBondContact CB-O 3.47Å; H222-A224 PolarHBondContact O-N 3.47Å; H222-Y256 HydrophobicContact CB-CD2 4.3Å; H222-Y256 HydrophobicContact CB-CG 4.42Å; H222-H486 AromaticContact CE1-ND1 3.31Å; H222-H486 PolarHBondContact CE1-ND1 3.24Å; H222-H486 VanDerWaalsContact CE1-ND1 3.31Å; H222-H486 AromaticContact NE2-CG 3.89Å; H222-H486 AromaticContact NE2-ND1 3.09Å; H222-H486 PolarHBondContact NE2-ND1 3.46Å; H222-F622 HydrophobicContact CB-CD2 3.9Å; H222-F622 HydrophobicContact CB-CG 4.48Å; H222-F622 AromaticContact CD2-CD2 3.49Å; H222-F622 VanDerWaalsContact CD2-CD2 3.49Å; H222-F622 WeakPolarHBondContact CD2-CD2 3.31Å; H222-F622 AromaticContact CD2-CE2 3.72Å; H222-F622 AromaticContact CE1-CD2 3.97Å; H222-F622 AromaticContact CG-CD2 3.45Å; H222-F622 VanDerWaalsContact CG-CD2 3.45Å; H222-F622 AromaticContact ND1-CD2 3.76Å; H222-F622 AromaticContact NE2-CD2 3.82Å
223	L	88.2	Confident	90.8	Very high	195 Å²	195	36.4 Å²	36.4	100%	1.021	21%	0.209	S	C	*	.	S	Bend	trans	-64.4	-24.7	176.5	-65.6	175.6	0	0	0	113
224	A	91.9	Very high	89.9	Confident	16 Å²	16	41.1 Å²	41.1	13%	0.132	24%	0.242	C	C	.	.	S	Bend	trans	-130.1	149.6	179.8	0	0	0	0	0	109.2	H222 F622 S625 S627 N628	H222-A224 WeakPolarHBondContact CB-O 3.47Å; H222-A224 PolarHBondContact O-N 3.47Å; A224-F622 WeakPolarHBondContact O-CB 3.16Å; A224-S625 WeakPolarHBondContact CB-OG 3.5Å; A224-S627 WeakPolarHBondContact CB-OG 3.24Å; A224-N628 HydrophobicContact CB-CB 4.01Å
225	S	94.1	Very high	88.6	Confident	21 Å²	21	44.7 Å²	44.7	15%	0.147	26%	0.255	C	S	.	.			trans	-152.1	171.8	177.4	72.8	0	0	0	0	112.3	N227 Y256 S627	S225-N227 PolarHBondContact OG-N 3.39Å; S225-Y256 VanDerWaalsContact CB-CD1 3.41Å; S225-S627 PolarHBondContact N-OG 2.95Å; S225-S627 WeakPolarHBondContact O-CB 3.43Å; S225-S627 PolarHBondContact O-OG 3.14Å
226	D	93.6	Very high	87.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-96.8	-0.5	173.4	-69.3	-56.2	0	0	0	113.4	G228 I229 Y262 P474 F476 F622 T626	D226-G228 VanDerWaalsContact C-N 3.28Å; D226-G228 PolarHBondContact O-N 2.86Å; D226-I229 WeakPolarHBondContact O-CG2 3.32Å; D226-I229 PolarHBondContact O-N 3.2Å; D226-Y262 VanDerWaalsContact OD2-CE1 3.3Å; D226-Y262 WeakPolarHBondContact OD2-CE1 3.41Å; D226-Y262 PolarHBondContact OD2-OH 2.81Å; D226-P474 HydrophobicContact CB-CB 4.24Å; D226-P474 HydrophobicContact CB-CG 3.97Å; D226-F476 HydrophobicContact CB-CE2 4.39Å; D226-F476 HydrophobicContact CB-CZ 3.97Å; D226-F622 HydrophobicContact CB-CE1 4.48Å; D226-T626 WeakPolarHBondContact CA-OG1 3.47Å; D226-T626 WeakPolarHBondContact OD1-CB 3.45Å; D226-T626 VanDerWaalsContact OD1-CG2 3.28Å; D226-T626 WeakPolarHBondContact OD1-CG2 2.83Å; D226-T626 PolarHBondContact OD1-N 2.98Å; D226-T626 PolarHBondContact OD1-OG1 3.09Å
227	N	93.1	Very high	85.9	Confident	20 Å²	20	55.3 Å²	55.3	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-39.9	-176.7	-67	-9.1	0	0	0	111.6	S225 I229 V230 M231 I250 R255	S225-N227 PolarHBondContact OG-N 3.39Å; N227-I229 PolarHBondContact O-N 2.88Å; N227-V230 PolarHBondContact O-N 2.87Å; N227-M231 WeakPolarHBondContact O-CB 3.27Å; N227-M231 VanDerWaalsContact O-CG 3.23Å; N227-M231 WeakPolarHBondContact O-CG 3.28Å; N227-M231 PolarHBondContact O-N 3.34Å; N227-I250 HydrophobicContact CB-CD1 4.32Å; N227-I250 WeakPolarHBondContact ND2-CD1 3.36Å; N227-R255 PolarHBondContact ND2-O 3.46Å
228	G	90.2	Very high	85	Confident	51 Å²	51	61.1 Å²	61.1	53%	0.526	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-45.4	-175.6	0	0	0	0	0	113.3	D226 V230 M231 D232	D226-G228 VanDerWaalsContact C-N 3.28Å; D226-G228 PolarHBondContact O-N 2.86Å; G228-V230 PolarHBondContact O-N 3.29Å; G228-M231 PolarHBondContact O-N 3.16Å; G228-D232 WeakPolarHBondContact O-CB 3.43Å; G228-D232 PolarHBondContact O-N 3.45Å
229	I	89	Confident	84.5	Confident	17 Å²	17	59.8 Å²	59.8	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-70.9	-31.4	-177.3	-162.2	167.2	0	0	0	112.8	D226 N227 M239 N323 P474 T626	D226-I229 WeakPolarHBondContact O-CG2 3.32Å; D226-I229 PolarHBondContact O-N 3.2Å; N227-I229 PolarHBondContact O-N 2.88Å; I229-M239 HydrophobicContact CD1-SD 4.49Å; I229-M239 HydrophobicContact CG1-SD 4.3Å; I229-M239 HydrophobicContact CG2-SD 3.86Å; I229-N323 HydrophobicContact CD1-CB 3.81Å; I229-N323 WeakPolarHBondContact CD1-ND2 3.45Å; I229-P474 HydrophobicContact CG2-CG 4.43Å; I229-T626 HydrophobicContact CB-CG2 4.44Å; I229-T626 HydrophobicContact CD1-CG2 3.91Å; I229-T626 HydrophobicContact CG2-CG2 3.81Å; I229-T626 WeakPolarHBondContact CG2-OG1 3.48Å
230	V	89.9	Confident	84	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-77	-38.5	178	-178.7	0	0	0	0	110.5	N227 G228 M239 W242 R243 L246 F476	N227-V230 PolarHBondContact O-N 2.87Å; G228-V230 PolarHBondContact O-N 3.29Å; V230-M239 HydrophobicContact CG2-CB 4.47Å; V230-M239 HydrophobicContact CG2-SD 4.31Å; V230-W242 HydrophobicContact CG1-CB 3.85Å; V230-R243 PolarHBondContact O-NE 2.95Å; V230-R243 PolarHBondContact O-NH2 3.44Å; V230-L246 HydrophobicContact CB-CD2 3.63Å; V230-L246 HydrophobicContact CG1-CB 4.45Å; V230-L246 HydrophobicContact CG1-CD2 3.58Å; V230-L246 HydrophobicContact CG2-CD2 4.24Å; V230-F476 HydrophobicContact CG2-CD2 4.45Å; V230-F476 HydrophobicContact CG2-CE2 3.88Å
231	M	88.9	Confident	83.6	Confident	56 Å²	56	69.4 Å²	69.4	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-78.5	-18.2	-179.8	-65.8	-55.6	-167.6	0	0	113.9	N227 G228 P233 R243 L246 E247 I250	N227-M231 WeakPolarHBondContact O-CB 3.27Å; N227-M231 VanDerWaalsContact O-CG 3.23Å; N227-M231 WeakPolarHBondContact O-CG 3.28Å; N227-M231 PolarHBondContact O-N 3.34Å; G228-M231 PolarHBondContact O-N 3.16Å; M231-P233 WeakPolarHBondContact O-CD 3.32Å; M231-P233 VanDerWaalsContact O-N 3.16Å; M231-R243 PolarHBondContact O-NE 3.35Å; M231-R243 PolarHBondContact O-NH2 3.02Å; M231-R243 HydrophobicContact SD-CG 3.83Å; M231-L246 HydrophobicContact CE-CB 4.09Å; M231-L246 HydrophobicContact CE-CD2 3.77Å; M231-L246 HydrophobicContact CE-CG 3.72Å; M231-L246 HydrophobicContact CG-CD2 4.31Å; M231-L246 HydrophobicContact SD-CD2 4.32Å; M231-E247 HydrophobicContact CE-CB 3.77Å; M231-E247 HydrophobicContact CE-CG 4.38Å; M231-I250 HydrophobicContact CE-CD1 3.79Å
232	D	85.5	Confident	83.5	Confident	45 Å²	45	65 Å²	65	24%	0.241	35%	0.348	C	S	.	.			trans	-63.1	108.9	-178.4	-178.4	-0.5	0	0	0	112.6	G228 S234 R235 R243	G228-D232 WeakPolarHBondContact O-CB 3.43Å; G228-D232 PolarHBondContact O-N 3.45Å; D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 VanDerWaalsContact CG-OG 3.25Å; D232-S234 PolarHBondContact O-N 3.46Å; D232-S234 VanDerWaalsContact OD1-CB 3.29Å; D232-S234 WeakPolarHBondContact OD1-CB 3.33Å; D232-S234 PolarHBondContact OD1-N 3.17Å; D232-S234 PolarHBondContact OD1-OG 3.47Å; D232-S234 PolarHBondContact OD2-OG 3.23Å; D232-R235 IonicContact OD2-NE 3.95Å; D232-R243 PolarHBondContact O-NH2 2.94Å
233	P	72.4	Confident	83.4	Confident	105 Å²	105	66.1 Å²	66.1	68%	0.682	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.6	-178.5	32.3	-34.6	0	0	0	113.4	M231 R235	M231-P233 WeakPolarHBondContact O-CD 3.32Å; M231-P233 VanDerWaalsContact O-N 3.16Å; P233-R235 VanDerWaalsContact C-N 3.28Å; P233-R235 PolarHBondContact O-N 2.99Å
234	S	71.9	Confident	83.6	Confident	100 Å²	100	64.6 Å²	64.6	70%	0.699	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-27.1	-174.8	72.2	0	0	0	0	112.4	D232	D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 VanDerWaalsContact CG-OG 3.25Å; D232-S234 PolarHBondContact O-N 3.46Å; D232-S234 VanDerWaalsContact OD1-CB 3.29Å; D232-S234 WeakPolarHBondContact OD1-CB 3.33Å; D232-S234 PolarHBondContact OD1-N 3.17Å; D232-S234 PolarHBondContact OD1-OG 3.47Å; D232-S234 PolarHBondContact OD2-OG 3.23Å
235	R	63.1	Low	83.7	Confident	82 Å²	82	65.9 Å²	65.9	31%	0.309	34%	0.344	S	S	.	.	S	Bend	trans	-86.6	121.9	175.8	-61.2	-177.8	-178.7	-155.7	-4.7	108.3	D232 P233 S237 N323	D232-R235 IonicContact OD2-NE 3.95Å; P233-R235 VanDerWaalsContact C-N 3.28Å; P233-R235 PolarHBondContact O-N 2.99Å; R235-S237 PolarHBondContact O-N 3.36Å; R235-N323 PolarHBondContact NH1-OD1 3.44Å
236	K	60.5	Low	83.7	Confident	210 Å²	210	64.9 Å²	64.9	91%	0.913	34%	0.337	S	S	*	.			trans	-65.3	53.8	152	-70.4	-176.6	177.8	179.6	0	108.9
237	S	65.6	Low	83.7	Confident	21 Å²	21	68.8 Å²	68.8	15%	0.147	36%	0.355	C	S	.	.			trans	-72.6	148.5	-176	70.9	0	0	0	0	108.5	R235 M239 Q240	R235-S237 PolarHBondContact O-N 3.36Å; S237-M239 PolarHBondContact O-N 3.28Å; S237-M239 PolarHBondContact OG-N 3.47Å; S237-Q240 PolarHBondContact O-N 3.05Å
238	N	74.9	Confident	83.7	Confident	122 Å²	122	71.5 Å²	71.5	65%	0.652	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-10.7	166.9	56.9	-16	0	0	0	113.2	H241	N238-H241 PolarHBondContact O-CE1 2.93Å; N238-H241 PolarHBondContact O-ND1 3.48Å
239	M	85	Confident	83.9	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.02	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.2	-177.9	-55.8	-179.2	179.3	0	0	114.2	I229 V230 S237 H241 W242 N473 P474	I229-M239 HydrophobicContact CD1-SD 4.49Å; I229-M239 HydrophobicContact CG1-SD 4.3Å; I229-M239 HydrophobicContact CG2-SD 3.86Å; V230-M239 HydrophobicContact CG2-CB 4.47Å; V230-M239 HydrophobicContact CG2-SD 4.31Å; S237-M239 PolarHBondContact O-N 3.28Å; S237-M239 PolarHBondContact OG-N 3.47Å; M239-H241 PolarHBondContact O-N 3.04Å; M239-H241 VanDerWaalsContact O-N 3.09Å; M239-W242 HydrophobicContact CB-CE3 3.86Å; M239-W242 HydrophobicContact CB-CZ3 4.17Å; M239-W242 HydrophobicContact CG-CE3 4Å; M239-W242 HydrophobicContact CG-CZ3 3.78Å; M239-W242 PolarHBondContact O-N 3.45Å; M239-W242 HydrophobicContact SD-CZ3 4.49Å; M239-N473 HydrophobicContact CE-CB 3.56Å; M239-P474 HydrophobicContact CE-CG 4.16Å; M239-P474 HydrophobicContact SD-CG 4.26Å
240	Q	83.7	Confident	84.1	Confident	113 Å²	113	70.4 Å²	70.4	53%	0.528	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-56.2	-31.5	-175.7	-172.6	174.6	3.8	0	0	113.2	S237 W242 R243	S237-Q240 PolarHBondContact O-N 3.05Å; Q240-W242 PolarHBondContact O-N 3.32Å; Q240-R243 WeakPolarHBondContact O-CB 3.19Å; Q240-R243 PolarHBondContact O-N 2.97Å
241	H	87.8	Confident	84.1	Confident	121 Å²	121	76.3 Å²	76.3	56%	0.56	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.2	178.7	68.9	-79.8	0	0	0	113.7	N238 M239	N238-H241 PolarHBondContact O-CE1 2.93Å; N238-H241 PolarHBondContact O-ND1 3.48Å; M239-H241 PolarHBondContact O-N 3.04Å; M239-H241 VanDerWaalsContact O-N 3.09Å
242	W	91.5	Very high	84.2	Confident	37 Å²	37	77.3 Å²	77.3	14%	0.14	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-86.7	-10.4	176.1	-67.2	-41.1	0	0	0	114.5	V230 M239 Q240 K244 P245 L246 P474 E475 F476 F478	V230-W242 HydrophobicContact CG1-CB 3.85Å; M239-W242 HydrophobicContact CB-CE3 3.86Å; M239-W242 HydrophobicContact CB-CZ3 4.17Å; M239-W242 HydrophobicContact CG-CE3 4Å; M239-W242 HydrophobicContact CG-CZ3 3.78Å; M239-W242 PolarHBondContact O-N 3.45Å; M239-W242 HydrophobicContact SD-CZ3 4.49Å; Q240-W242 PolarHBondContact O-N 3.32Å; W242-K244 PolarHBondContact O-N 3.34Å; W242-P245 WeakPolarHBondContact O-CD 3.36Å; W242-L246 WeakPolarHBondContact O-CB 3.37Å; W242-L246 PolarHBondContact O-N 3.33Å; W242-P474 VanDerWaalsContact CZ3-O 3.29Å; W242-P474 WeakPolarHBondContact CZ3-O 3.18Å; W242-E475 HydrophobicContact CH2-CB 4.36Å; W242-E475 HydrophobicContact CH2-CG 4.14Å; W242-E475 HydrophobicContact CZ2-CG 4.1Å; W242-F476 HydrophobicContact CD2-CB 4.13Å; W242-F476 HydrophobicContact CD2-CD2 4.17Å; W242-F476 AromaticContact CE3-CD2 3.89Å; W242-F476 HydrophobicContact CE3-CD2 3.89Å; W242-F476 HydrophobicContact CG-CB 4.32Å; W242-F476 HydrophobicContact CZ3-CD2 4.28Å; W242-F476 PolarHBondContact NE1-O 2.81Å; W242-F478 HydrophobicContact CB-CD2 4.04Å; W242-F478 HydrophobicContact CB-CE2 4.09Å; W242-F478 AromaticContact CD1-CD2 3.8Å; W242-F478 HydrophobicContact CG-CD2 4.07Å; W242-F478 HydrophobicContact CG-CE2 4.32Å
243	R	91	Very high	84.5	Confident	52 Å²	52	75.3 Å²	75.3	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-56.3	-55	-174.2	178.4	172.4	-67.1	155.8	8.6	113.1	V230 M231 D232 Q240 L246 E247	V230-R243 PolarHBondContact O-NE 2.95Å; V230-R243 PolarHBondContact O-NH2 3.44Å; M231-R243 PolarHBondContact O-NE 3.35Å; M231-R243 PolarHBondContact O-NH2 3.02Å; M231-R243 HydrophobicContact SD-CG 3.83Å; D232-R243 PolarHBondContact O-NH2 2.94Å; Q240-R243 WeakPolarHBondContact O-CB 3.19Å; Q240-R243 PolarHBondContact O-N 2.97Å; R243-L246 PolarHBondContact O-N 3.49Å; R243-E247 WeakPolarHBondContact O-CB 3.47Å; R243-E247 PolarHBondContact O-N 2.84Å
244	K	91.6	Very high	85.5	Confident	164 Å²	164	70.3 Å²	70.3	71%	0.713	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-45.4	-176.5	-177.8	-177.5	-177.5	-178.2	0	112.4	W242 E247 T248	W242-K244 PolarHBondContact O-N 3.34Å; K244-E247 PolarHBondContact O-N 3.49Å; K244-T248 PolarHBondContact O-N 2.92Å; K244-T248 VanDerWaalsContact O-N 3.14Å; K244-T248 PolarHBondContact O-OG1 3.32Å
245	P	93.7	Very high	86.6	Confident	43 Å²	43	66.8 Å²	66.8	28%	0.279	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-46.8	171.4	-25.2	32.7	0	0	0	113.2	W242 E247 T248 I249 F478	W242-P245 WeakPolarHBondContact O-CD 3.36Å; P245-E247 VanDerWaalsContact C-N 3.34Å; P245-E247 PolarHBondContact O-N 3.39Å; P245-T248 WeakPolarHBondContact O-CB 3.35Å; P245-T248 PolarHBondContact O-N 3.33Å; P245-I249 WeakPolarHBondContact O-CG1 3.34Å; P245-I249 PolarHBondContact O-N 2.96Å; P245-F478 HydrophobicContact CB-CB 3.65Å; P245-F478 HydrophobicContact CB-CD2 3.86Å; P245-F478 HydrophobicContact CB-CG 4.01Å; P245-F478 HydrophobicContact CG-CB 4.43Å
246	L	94.7	Very high	88.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-44.8	179.2	179.8	64.7	0	0	0	111.4	V230 M231 W242 R243 T248 I249 I250 P257 F478	V230-L246 HydrophobicContact CB-CD2 3.63Å; V230-L246 HydrophobicContact CG1-CB 4.45Å; V230-L246 HydrophobicContact CG1-CD2 3.58Å; V230-L246 HydrophobicContact CG2-CD2 4.24Å; M231-L246 HydrophobicContact CE-CB 4.09Å; M231-L246 HydrophobicContact CE-CD2 3.77Å; M231-L246 HydrophobicContact CE-CG 3.72Å; M231-L246 HydrophobicContact CG-CD2 4.31Å; M231-L246 HydrophobicContact SD-CD2 4.32Å; W242-L246 WeakPolarHBondContact O-CB 3.37Å; W242-L246 PolarHBondContact O-N 3.33Å; R243-L246 PolarHBondContact O-N 3.49Å; L246-T248 VanDerWaalsContact C-N 3.26Å; L246-T248 PolarHBondContact O-N 3.11Å; L246-I249 PolarHBondContact O-N 3.3Å; L246-I250 HydrophobicContact CD1-CD1 3.9Å; L246-I250 HydrophobicContact CD1-CG1 4.11Å; L246-I250 HydrophobicContact CD2-CD1 4.25Å; L246-I250 HydrophobicContact CG-CD1 3.7Å; L246-I250 HydrophobicContact CG-CG1 4.29Å; L246-I250 WeakPolarHBondContact O-CB 3.37Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.4Å; L246-P257 HydrophobicContact CD1-CB 4.22Å; L246-P257 HydrophobicContact CD1-CG 3.79Å; L246-F478 HydrophobicContact CB-CE2 3.9Å; L246-F478 HydrophobicContact CB-CZ 4.36Å; L246-F478 HydrophobicContact CD1-CE2 4.16Å; L246-F478 HydrophobicContact CD1-CZ 3.81Å
247	E	93.7	Very high	89.8	Confident	81 Å²	81	55.2 Å²	55.2	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-38.9	179.2	-169.9	-177.1	172.2	0	0	111.5	M231 R243 K244 P245 K251	M231-E247 HydrophobicContact CE-CB 3.77Å; M231-E247 HydrophobicContact CE-CG 4.38Å; R243-E247 WeakPolarHBondContact O-CB 3.47Å; R243-E247 PolarHBondContact O-N 2.84Å; K244-E247 PolarHBondContact O-N 3.49Å; P245-E247 VanDerWaalsContact C-N 3.34Å; P245-E247 PolarHBondContact O-N 3.39Å; E247-K251 HydrophobicContact CG-CD 4.37Å; E247-K251 WeakPolarHBondContact O-CB 3.37Å; E247-K251 VanDerWaalsContact O-CG 3.3Å; E247-K251 WeakPolarHBondContact O-CG 3.3Å; E247-K251 PolarHBondContact O-N 3.48Å; E247-K251 VanDerWaalsContact O-N 3.13Å; E247-K251 WeakPolarHBondContact OE1-CE 3.43Å; E247-K251 IonicContact OE1-NZ 2.8Å; E247-K251 PolarHBondContact OE1-NZ 3.35Å
248	T	93.3	Very high	91.3	Very high	77 Å²	77	54.7 Å²	54.7	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-47.3	176.7	-54.8	0	0	0	0	111	K244 P245 L246 K251 T252	K244-T248 PolarHBondContact O-N 2.92Å; K244-T248 VanDerWaalsContact O-N 3.14Å; K244-T248 PolarHBondContact O-OG1 3.32Å; P245-T248 WeakPolarHBondContact O-CB 3.35Å; P245-T248 PolarHBondContact O-N 3.33Å; L246-T248 VanDerWaalsContact C-N 3.26Å; L246-T248 PolarHBondContact O-N 3.11Å; T248-K251 PolarHBondContact O-N 3.04Å; T248-T252 WeakPolarHBondContact O-CB 3.25Å; T248-T252 WeakPolarHBondContact O-CG2 3.24Å; T248-T252 PolarHBondContact O-N 3.41Å; T248-T252 VanDerWaalsContact O-N 3.11Å; T248-T252 PolarHBondContact O-OG1 3.4Å
249	I	93.5	Very high	92.3	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-43.9	179.6	-62.7	161.5	0	0	0	110.8	P245 L246 K251 T252 A253 C254 P257 F478 Y483	P245-I249 WeakPolarHBondContact O-CG1 3.34Å; P245-I249 PolarHBondContact O-N 2.96Å; L246-I249 PolarHBondContact O-N 3.3Å; I249-K251 PolarHBondContact O-N 3Å; I249-T252 PolarHBondContact O-N 3.48Å; I249-T252 VanDerWaalsContact O-N 3.11Å; I249-A253 HydrophobicContact CG2-CB 3.92Å; I249-A253 PolarHBondContact O-N 3.22Å; I249-C254 PolarHBondContact O-N 3.49Å; I249-P257 HydrophobicContact CB-CG 4.18Å; I249-P257 HydrophobicContact CG2-CB 4.13Å; I249-P257 HydrophobicContact CG2-CG 3.44Å; I249-P257 VanDerWaalsContact CG2-CG 3.44Å; I249-F478 HydrophobicContact CD1-CD1 3.32Å; I249-F478 HydrophobicContact CD1-CE1 3.49Å; I249-F478 VanDerWaalsContact CD1-CE1 3.49Å; I249-F478 HydrophobicContact CD1-CG 3.93Å; I249-F478 HydrophobicContact CD1-CZ 4.19Å; I249-Y483 HydrophobicContact CG1-CD1 4.35Å; I249-Y483 HydrophobicContact CG2-CD1 4.32Å; I249-Y483 HydrophobicContact CG2-CG 4.12Å
250	I	93.5	Very high	92.8	Very high	37 Å²	37	54.4 Å²	54.4	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-34.5	177.5	-70.4	171.8	0	0	0	111.7	N227 M231 L246 C254 P257 R664 F670	N227-I250 HydrophobicContact CB-CD1 4.32Å; N227-I250 WeakPolarHBondContact ND2-CD1 3.36Å; M231-I250 HydrophobicContact CE-CD1 3.79Å; L246-I250 HydrophobicContact CD1-CD1 3.9Å; L246-I250 HydrophobicContact CD1-CG1 4.11Å; L246-I250 HydrophobicContact CD2-CD1 4.25Å; L246-I250 HydrophobicContact CG-CD1 3.7Å; L246-I250 HydrophobicContact CG-CG1 4.29Å; L246-I250 WeakPolarHBondContact O-CB 3.37Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.4Å; I250-C254 WeakPolarHBondContact CA-O 3.44Å; I250-P257 HydrophobicContact CG1-CG 4.36Å; I250-R664 PolarHBondContact O-NH2 2.92Å; I250-F670 WeakPolarHBondContact O-CE2 3.05Å; I250-F670 WeakPolarHBondContact O-CZ 3.48Å
251	K	91.2	Very high	93.3	Very high	125 Å²	125	50.7 Å²	50.7	54%	0.543	24%	0.24	S	C	.	.	H	α-helix	trans	-78.1	-28.8	178.5	-73.7	176.6	-174	174.3	0	113.4	E247 T248 I249 F670	E247-K251 HydrophobicContact CG-CD 4.37Å; E247-K251 WeakPolarHBondContact O-CB 3.37Å; E247-K251 VanDerWaalsContact O-CG 3.3Å; E247-K251 WeakPolarHBondContact O-CG 3.3Å; E247-K251 PolarHBondContact O-N 3.48Å; E247-K251 VanDerWaalsContact O-N 3.13Å; E247-K251 WeakPolarHBondContact OE1-CE 3.43Å; E247-K251 IonicContact OE1-NZ 2.8Å; E247-K251 PolarHBondContact OE1-NZ 3.35Å; T248-K251 PolarHBondContact O-N 3.04Å; I249-K251 PolarHBondContact O-N 3Å; K251-F670 WeakPolarHBondContact O-CZ 3.38Å
252	T	90.4	Very high	93.8	Very high	77 Å²	77	45.1 Å²	45.1	47%	0.472	22%	0.215	S	C	.	.	H	α-helix	trans	-121.1	-20.8	-164.1	58.6	0	0	0	0	115.7	T248 I249	T248-T252 WeakPolarHBondContact O-CB 3.25Å; T248-T252 WeakPolarHBondContact O-CG2 3.24Å; T248-T252 PolarHBondContact O-N 3.41Å; T248-T252 VanDerWaalsContact O-N 3.11Å; T248-T252 PolarHBondContact O-OG1 3.4Å; I249-T252 PolarHBondContact O-N 3.48Å; I249-T252 VanDerWaalsContact O-N 3.11Å
253	A	91.4	Very high	94	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-64.7	-169.9	0	0	0	0	0	112.5	I249 Y483 F670 Y672	I249-A253 HydrophobicContact CG2-CB 3.92Å; I249-A253 PolarHBondContact O-N 3.22Å; A253-Y483 HydrophobicContact CB-CD1 4.29Å; A253-Y483 HydrophobicContact CB-CD2 4.44Å; A253-Y483 HydrophobicContact CB-CE1 3.74Å; A253-Y483 HydrophobicContact CB-CE2 3.95Å; A253-F670 WeakPolarHBondContact O-CB 3.3Å; A253-F670 WeakPolarHBondContact O-CD1 3.07Å; A253-F670 WeakPolarHBondContact O-CD2 3.47Å; A253-F670 WeakPolarHBondContact O-CG 3.44Å; A253-Y672 PolarHBondContact O-OH 3.39Å
254	C	93.9	Very high	94.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	21%	0.213	C	C	.	.			trans	-152.3	153.7	-179.6	64.4	0	0	0	0	112.4	D219 I249 I250 Y256 C485 F670	D219-C254 HydrophobicContact CB-CB 3.93Å; I249-C254 PolarHBondContact O-N 3.49Å; I250-C254 WeakPolarHBondContact CA-O 3.44Å; C254-Y256 PolarHBondContact O-N 3.23Å; C254-C485 HydrophobicContact CB-CB 3.61Å; C254-C485 WeakPolarHBondContact CB-SG 3.45Å; C254-C485 WeakPolarHBondContact SG-CB 3.16Å; C254-C485 CovalentContact SG-SG 2.03Å; C254-C485 PolarHBondContact SG-SG 3.36Å; C254-F670 VanDerWaalsContact CA-CD2 3.48Å
255	R	94.5	Very high	94.4	Very high	26 Å²	26	37.8 Å²	37.8	10%	0.098	19%	0.187	C	C	.	.	S	Bend	trans	-66.5	-35.4	-176.6	-66.7	174.7	-75.5	174.1	-1.1	112.8	D219 E221 N227 N668 A669 F670	D219-R255 PolarHBondContact O-NH2 2.82Å; D219-R255 IonicContact OD1-CZ 3.82Å; D219-R255 IonicContact OD1-NE 3.39Å; D219-R255 PolarHBondContact OD1-NE 2.87Å; D219-R255 VanDerWaalsContact OD1-NE 3.1Å; D219-R255 IonicContact OD1-NH2 3.41Å; D219-R255 PolarHBondContact OD1-NH2 2.75Å; D219-R255 VanDerWaalsContact OD2-CB 3.24Å; D219-R255 WeakPolarHBondContact OD2-CB 3.48Å; D219-R255 VanDerWaalsContact OD2-CG 3.26Å; D219-R255 WeakPolarHBondContact OD2-CG 3.38Å; D219-R255 IonicContact OD2-CZ 3.62Å; D219-R255 PolarHBondContact OD2-N 3.11Å; D219-R255 IonicContact OD2-NE 3.37Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; E221-R255 IonicContact OE2-NH1 3.2Å; E221-R255 PolarHBondContact OE2-NH1 3.34Å; N227-R255 PolarHBondContact ND2-O 3.46Å; R255-N668 WeakPolarHBondContact CD-O 3.27Å; R255-A669 VanDerWaalsContact NH2-CB 3.27Å; R255-F670 HydrophobicContact CG-CD2 4.24Å; R255-F670 HydrophobicContact CG-CE2 4.22Å
256	Y	95.5	Very high	94.6	Very high	49 Å²	49	35.9 Å²	35.9	19%	0.192	18%	0.175	C	C	.	.	S	Bend	trans	-132.5	81.5	-174	-52	-75.2	0	0	0	111.2	V220 E221 H222 S225 C254 L258	V220-Y256 WeakPolarHBondContact O-CD2 3.24Å; E221-Y256 HydrophobicContact CG-CE2 4.32Å; H222-Y256 HydrophobicContact CB-CD2 4.3Å; H222-Y256 HydrophobicContact CB-CG 4.42Å; S225-Y256 VanDerWaalsContact CB-CD1 3.41Å; C254-Y256 PolarHBondContact O-N 3.23Å; Y256-L258 PolarHBondContact O-N 3.27Å
257	P	96.2	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.8	136.8	174.1	-25	38.2	0	0	0	110.6	L246 I249 I250 F476 F478 F622	L246-P257 HydrophobicContact CD1-CB 4.22Å; L246-P257 HydrophobicContact CD1-CG 3.79Å; I249-P257 HydrophobicContact CB-CG 4.18Å; I249-P257 HydrophobicContact CG2-CB 4.13Å; I249-P257 HydrophobicContact CG2-CG 3.44Å; I249-P257 VanDerWaalsContact CG2-CG 3.44Å; I250-P257 HydrophobicContact CG1-CG 4.36Å; P257-F476 WeakPolarHBondContact O-CE1 3.38Å; P257-F478 HydrophobicContact CB-CE1 4.17Å; P257-F478 HydrophobicContact CB-CZ 4.27Å; P257-F622 WeakPolarHBondContact O-CZ 3.5Å
258	L	96.8	Very high	94.7	Very high	10 Å²	10	35 Å²	35	5%	0.052	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-83.6	136.3	-179.5	-62.4	177.5	0	0	0	110.8	Y256 T484 H486 I578 P621 F622 I647	Y256-L258 PolarHBondContact O-N 3.27Å; L258-T484 HydrophobicContact CB-CG2 4.3Å; L258-T484 HydrophobicContact CD1-CG2 4.06Å; L258-T484 PolarHBondContact N-O 3.32Å; L258-H486 HydrophobicContact CD1-CB 4.12Å; L258-I578 HydrophobicContact CD1-CD1 3.57Å; L258-P621 HydrophobicContact CD2-CB 3.82Å; L258-F622 HydrophobicContact CD2-CD2 3.98Å; L258-F622 HydrophobicContact CD2-CE1 4.48Å; L258-F622 HydrophobicContact CD2-CE2 3.38Å; L258-F622 HydrophobicContact CD2-CZ 3.69Å; L258-I647 HydrophobicContact CD1-CG2 4.23Å
259	P	95.5	Very high	94.7	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.045	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-68.2	150.4	167.5	27.8	-30	0	0	0	110.2	Q261 Y262 P474 E475 F476	P259-Q261 VanDerWaalsContact C-N 3.28Å; P259-Q261 PolarHBondContact O-N 2.94Å; P259-Y262 HydrophobicContact CG-CD2 4.34Å; P259-Y262 HydrophobicContact CG-CE1 3.82Å; P259-Y262 HydrophobicContact CG-CE2 3.55Å; P259-Y262 WeakPolarHBondContact CG-OH 3.47Å; P259-P474 HydrophobicContact CB-CB 3.77Å; P259-P474 HydrophobicContact CG-CB 4.08Å; P259-E475 CarbonylContact C-O 3.57Å; P259-E475 WeakPolarHBondContact CA-O 3.35Å; P259-E475 VanDerWaalsContact CB-O 3.28Å; P259-E475 WeakPolarHBondContact CB-O 3.36Å; P259-F476 HydrophobicContact CB-CD1 4.02Å; P259-F476 HydrophobicContact CB-CE1 3.83Å; P259-F476 HydrophobicContact CB-CE2 4.47Å; P259-F476 HydrophobicContact CB-CG 4.45Å; P259-F476 HydrophobicContact CB-CZ 4.07Å; P259-F476 HydrophobicContact CG-CE1 4.36Å; P259-F476 HydrophobicContact CG-CZ 4.47Å
260	K	94.6	Very high	94.4	Very high	113 Å²	113	38.6 Å²	38.6	49%	0.491	18%	0.183	S	C	.	.	S	Bend	trans	-61.9	-42.3	174.2	178	178.2	177.6	177.3	0	110.4	E475 D477 Q617	K260-E475 PolarHBondContact N-O 2.98Å; K260-D477 HydrophobicContact CD-CB 4.31Å; K260-Q617 PolarHBondContact O-NE2 3.47Å
261	Q	95.6	Very high	94	Very high	34 Å²	34	41.2 Å²	41.2	16%	0.159	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	175.4	-178.7	60.4	-168.1	15.4	0	0	110.4	P259 E475 V615 A644	P259-Q261 VanDerWaalsContact C-N 3.28Å; P259-Q261 PolarHBondContact O-N 2.94Å; Q261-E475 HydrophobicContact CG-CB 4.04Å; Q261-E475 WeakPolarHBondContact CG-OE2 3.46Å; Q261-E475 PolarHBondContact NE2-OE2 3.4Å; Q261-E475 PolarHBondContact O-N 2.77Å; Q261-V615 HydrophobicContact CB-CG1 4.15Å; Q261-V615 HydrophobicContact CG-CG1 3.8Å; Q261-A644 HydrophobicContact CB-CB 4.31Å
262	Y	96.9	Very high	93.9	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.1	174.8	-67.6	-91	0	0	0	111.4	D226 P259 L472 N473 P474 V615 V616 F618	D226-Y262 VanDerWaalsContact OD2-CE1 3.3Å; D226-Y262 WeakPolarHBondContact OD2-CE1 3.41Å; D226-Y262 PolarHBondContact OD2-OH 2.81Å; P259-Y262 HydrophobicContact CG-CD2 4.34Å; P259-Y262 HydrophobicContact CG-CE1 3.82Å; P259-Y262 HydrophobicContact CG-CE2 3.55Å; P259-Y262 WeakPolarHBondContact CG-OH 3.47Å; Y262-L472 HydrophobicContact CD1-CD1 3.89Å; Y262-L472 HydrophobicContact CD1-CD2 4.03Å; Y262-L472 HydrophobicContact CD1-CG 3.83Å; Y262-L472 HydrophobicContact CE1-CD2 4.24Å; Y262-L472 HydrophobicContact CE1-CG 4.46Å; Y262-L472 HydrophobicContact CG-CD1 4.04Å; Y262-L472 HydrophobicContact CG-CG 4.48Å; Y262-N473 WeakPolarHBondContact CA-O 3.34Å; Y262-P474 HydrophobicContact CD1-CB 4.04Å; Y262-P474 HydrophobicContact CE1-CB 3.84Å; Y262-V615 WeakPolarHBondContact O-CA 3.2Å; Y262-V616 PolarHBondContact N-O 3.25Å; Y262-V616 PolarHBondContact O-N 3.27Å; Y262-F618 HydrophobicContact CD1-CE2 4.14Å; Y262-F618 AromaticContact CD2-CD2 3.63Å; Y262-F618 HydrophobicContact CD2-CD2 3.63Å; Y262-F618 AromaticContact CD2-CE2 3.4Å; Y262-F618 HydrophobicContact CD2-CE2 3.4Å; Y262-F618 HydrophobicContact CD2-CZ 4.36Å; Y262-F618 HydrophobicContact CE1-CE2 4.36Å; Y262-F618 AromaticContact CE2-CD2 3.57Å; Y262-F618 HydrophobicContact CE2-CD2 3.57Å; Y262-F618 AromaticContact CE2-CE2 3.65Å; Y262-F618 HydrophobicContact CE2-CE2 3.65Å; Y262-F618 HydrophobicContact CG-CD2 4.35Å; Y262-F618 AromaticContact CG-CE2 3.66Å; Y262-F618 HydrophobicContact CG-CE2 3.66Å; Y262-F618 HydrophobicContact CG-CZ 4.37Å
263	Y	95.9	Very high	93.7	Very high	78 Å²	78	33.6 Å²	33.6	31%	0.306	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.3	162.8	-64.8	-82	0	0	0	108.9	N473 E475 Y613 V615	Y263-N473 PolarHBondContact N-O 3.39Å; Y263-N473 PolarHBondContact O-N 2.94Å; Y263-E475 HydrophobicContact CD2-CB 4.25Å; Y263-E475 HydrophobicContact CE2-CB 3.76Å; Y263-E475 HydrophobicContact CE2-CG 4.08Å; Y263-E475 WeakPolarHBondContact CE2-OE2 3.34Å; Y263-E475 PolarHBondContact OH-OE2 3.02Å; Y263-Y613 HydrophobicContact CD1-CD2 4.08Å; Y263-Y613 HydrophobicContact CD1-CE2 4.36Å; Y263-Y613 HydrophobicContact CE1-CE2 4.46Å; Y263-V615 HydrophobicContact CD1-CG1 4.5Å; Y263-V615 HydrophobicContact CD1-CG2 3.88Å; Y263-V615 HydrophobicContact CE1-CG1 4.23Å; Y263-V615 HydrophobicContact CE1-CG2 3.64Å
264	L	96.7	Very high	93.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.3	169.2	176.4	53	0	0	0	107.9	L333 L337 F338 F470 L472 Y613 I614 V616 W629	L264-L333 HydrophobicContact CD2-CD1 4.11Å; L264-L337 HydrophobicContact CD2-CD2 4.17Å; L264-F338 HydrophobicContact CD2-CE2 4.05Å; L264-F338 HydrophobicContact CD2-CZ 4.47Å; L264-F338 HydrophobicContact CG-CE2 3.95Å; L264-F338 HydrophobicContact CG-CZ 3.91Å; L264-F338 WeakPolarHBondContact O-CZ 3.5Å; L264-F470 HydrophobicContact CD1-CB 4.35Å; L264-L472 HydrophobicContact CB-CD1 4.37Å; L264-Y613 CarbonylContact O-C 3.59Å; L264-Y613 VanDerWaalsContact O-CA 3.25Å; L264-Y613 WeakPolarHBondContact O-CA 3.47Å; L264-I614 HydrophobicContact CB-CD1 4.36Å; L264-I614 HydrophobicContact CB-CG1 3.86Å; L264-I614 HydrophobicContact CD2-CD1 4.16Å; L264-I614 HydrophobicContact CG-CD1 4.47Å; L264-I614 HydrophobicContact CG-CG1 4.34Å; L264-I614 PolarHBondContact N-O 2.74Å; L264-I614 PolarHBondContact O-N 2.81Å; L264-V616 HydrophobicContact CB-CG2 4.25Å; L264-W629 HydrophobicContact CD1-CH2 3.87Å; L264-W629 HydrophobicContact CD1-CZ2 3.3Å; L264-W629 HydrophobicContact CD2-CH2 3.98Å; L264-W629 HydrophobicContact CD2-CZ2 4.22Å; L264-W629 HydrophobicContact CG-CZ2 4.42Å
265	A	96	Very high	93.4	Very high	21 Å²	21	34.1 Å²	34.1	17%	0.174	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.9	-178	0	0	0	0	0	111.2	F470 T471 K612	A265-F470 CarbonylContact O-C 3.55Å; A265-F470 VanDerWaalsContact O-CA 3.29Å; A265-F470 WeakPolarHBondContact O-CA 3.5Å; A265-T471 PolarHBondContact N-O 3.14Å; A265-T471 PolarHBondContact O-N 3.18Å; A265-K612 CarbonylContact C-O 3.51Å; A265-K612 WeakPolarHBondContact CA-O 3.11Å
266	M	96.8	Very high	93	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.5	173	-178.2	-152.6	76.8	0	0	108.9	F338 E340 L468 K469 F470 K612	M266-F338 HydrophobicContact CB-CD1 3.46Å; M266-F338 VanDerWaalsContact CB-CD1 3.46Å; M266-F338 HydrophobicContact CB-CE1 3.36Å; M266-F338 HydrophobicContact CB-CG 4.11Å; M266-F338 HydrophobicContact CB-CZ 3.92Å; M266-F338 HydrophobicContact CG-CD1 4.24Å; M266-F338 HydrophobicContact SD-CB 3.97Å; M266-F338 HydrophobicContact SD-CD1 3.93Å; M266-F338 HydrophobicContact SD-CG 4.07Å; M266-E340 HydrophobicContact CE-CG 3.81Å; M266-E340 HydrophobicContact SD-CB 4.31Å; M266-E340 HydrophobicContact SD-CG 3.73Å; M266-L468 HydrophobicContact CE-CD2 4.42Å; M266-L468 HydrophobicContact CG-CB 4.16Å; M266-L468 HydrophobicContact CG-CD1 4.47Å; M266-L468 HydrophobicContact CG-CD2 4.38Å; M266-L468 HydrophobicContact SD-CD1 3.87Å; M266-L468 HydrophobicContact SD-CD2 4.08Å; M266-L468 HydrophobicContact SD-CG 4.4Å; M266-K469 CarbonylContact C-O 3.28Å; M266-K469 VanDerWaalsContact CA-O 3.28Å; M266-K469 WeakPolarHBondContact CA-O 3.33Å; M266-F470 HydrophobicContact CB-CD1 3.94Å; M266-F470 HydrophobicContact CB-CE1 3.66Å; M266-F470 HydrophobicContact CB-CZ 4.44Å; M266-F470 HydrophobicContact CG-CD1 4.12Å; M266-F470 HydrophobicContact CG-CE1 3.54Å; M266-F470 HydrophobicContact CG-CZ 3.83Å; M266-F470 HydrophobicContact SD-CE1 4.28Å; M266-F470 HydrophobicContact SD-CZ 4.31Å; M266-K612 HydrophobicContact CE-CB 4.01Å; M266-K612 HydrophobicContact CE-CD 3.86Å; M266-K612 HydrophobicContact CE-CG 3.7Å; M266-K612 PolarHBondContact N-O 2.9Å; M266-K612 PolarHBondContact O-N 2.82Å
267	H	95.3	Very high	92.4	Very high	49 Å²	49	38.5 Å²	38.5	23%	0.227	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.2	174.9	-178.9	94.3	0	0	0	109.8	Y269 K469 E611	H267-Y269 AromaticContact CD2-CD2 3.96Å; H267-Y269 AromaticContact CD2-CE2 3.58Å; H267-Y269 AromaticContact CD2-CZ 3.62Å; H267-Y269 AromaticContact NE2-CE1 3.91Å; H267-Y269 AromaticContact NE2-CZ 3.9Å; H267-K469 HydrophobicContact CB-CB 4.37Å; H267-K469 PolarHBondContact N-O 2.88Å; H267-K469 PolarHBondContact O-N 3.04Å; H267-E611 HydrophobicContact CB-CG 4.38Å; H267-E611 IonicContact CE1-OE1 2.75Å; H267-E611 IonicContact CG-OE1 3.72Å; H267-E611 WeakPolarHBondContact ND1-CG 3.37Å; H267-E611 IonicContact ND1-OE1 3.52Å; H267-E611 PolarHBondContact ND1-OE1 2.79Å
268	P	94.5	Very high	91.6	Very high	15 Å²	15	42.4 Å²	42.4	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.9	178.9	33.1	-32	0	0	0	111.9	L270 L468 E610	P268-L270 HydrophobicContact CB-CD2 4.08Å; P268-L468 HydrophobicContact CB-CD2 3.78Å; P268-E610 VanDerWaalsContact CD-O 3.22Å; P268-E610 WeakPolarHBondContact CD-O 3.44Å; P268-E610 HydrophobicContact CG-CB 4.14Å; P268-E610 WeakPolarHBondContact CG-O 3.23Å
269	Y	93.1	Very high	90.6	Very high	67 Å²	67	44.8 Å²	44.8	26%	0.263	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	103.8	161.8	-63.9	-87.5	0	0	0	108.8	H267 L318 Y326 K466 T467 K469	H267-Y269 AromaticContact CD2-CD2 3.96Å; H267-Y269 AromaticContact CD2-CE2 3.58Å; H267-Y269 AromaticContact CD2-CZ 3.62Å; H267-Y269 AromaticContact NE2-CE1 3.91Å; H267-Y269 AromaticContact NE2-CZ 3.9Å; Y269-L318 HydrophobicContact CD1-CD2 4Å; Y269-L318 HydrophobicContact CD2-CD1 3.93Å; Y269-L318 HydrophobicContact CD2-CD2 4.11Å; Y269-L318 HydrophobicContact CE1-CD2 3.67Å; Y269-L318 HydrophobicContact CE2-CD1 4.23Å; Y269-L318 HydrophobicContact CE2-CD2 3.78Å; Y269-L318 HydrophobicContact CG-CD1 4.23Å; Y269-L318 HydrophobicContact CG-CD2 4.21Å; Y269-Y326 HydrophobicContact CE2-CE1 4.08Å; Y269-K466 CarbonylContact O-C 3.49Å; Y269-K466 VanDerWaalsContact O-CA 3.3Å; Y269-K466 WeakPolarHBondContact O-CA 3.47Å; Y269-T467 PolarHBondContact N-O 3.38Å; Y269-T467 PolarHBondContact O-N 3.35Å; Y269-K469 HydrophobicContact CD2-CB 4.44Å; Y269-K469 HydrophobicContact CE2-CB 3.89Å; Y269-K469 HydrophobicContact CE2-CD 4.23Å
270	L	88.8	Confident	89.4	Confident	92 Å²	92	47.5 Å²	47.5	48%	0.482	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	158.3	-176.9	-55.4	179.6	0	0	0	111.8	P268 R272 K466	P268-L270 HydrophobicContact CB-CD2 4.08Å; L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 3.48Å; L270-R272 VanDerWaalsContact O-N 3.1Å; L270-K466 HydrophobicContact CD2-CB 4.1Å
271	D	83.8	Confident	88.1	Confident	92 Å²	92	42.5 Å²	42.5	49%	0.492	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.3	45	169.5	-62.7	-51.7	0	0	0	115.6	H273 Q464	D271-H273 PolarHBondContact O-CD2 3.22Å; D271-H273 PolarHBondContact O-NE2 3.41Å; D271-Q464 PolarHBondContact OD1-NE2 3.45Å
272	R	88.8	Confident	86.7	Confident	12 Å²	12	46.8 Å²	46.8	5%	0.045	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.1	176.7	-69.4	-175.2	62.8	88.3	-2.6	110.9	L270 I306 S316 Q464 G465 T467	L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 3.48Å; L270-R272 VanDerWaalsContact O-N 3.1Å; R272-I306 PolarHBondContact NH2-O 2.96Å; R272-S316 PolarHBondContact NH1-O 2.98Å; R272-S316 PolarHBondContact NH2-O 3.03Å; R272-Q464 WeakPolarHBondContact O-CA 3.33Å; R272-G465 PolarHBondContact N-O 3.49Å; R272-G465 PolarHBondContact O-N 3.34Å; R272-G465 VanDerWaalsContact O-N 3.13Å; R272-T467 WeakPolarHBondContact CD-OG1 3.29Å
273	H	88.2	Confident	84.9	Confident	30 Å²	30	51 Å²	51	14%	0.139	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.2	177	-60.1	-98.7	0	0	0	109.6	D271 T311 S347 Y348 Q464	D271-H273 PolarHBondContact O-CD2 3.22Å; D271-H273 PolarHBondContact O-NE2 3.41Å; H273-T311 HydrophobicContact CB-CG2 3.83Å; H273-T311 WeakPolarHBondContact CB-OG1 3.37Å; H273-S347 PolarHBondContact CE1-OG 2.75Å; H273-S347 PolarHBondContact ND1-OG 2.98Å; H273-Y348 AromaticContact CE1-CE2 3.81Å; H273-Q464 PolarHBondContact CE1-OE1 3.14Å
274	T	89.3	Confident	82.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.1	-172.7	43.9	0	0	0	0	112.3	R304 S305 G308 C310 A315 L463	T274-R304 WeakPolarHBondContact OG1-CD 3.33Å; T274-R304 WeakPolarHBondContact OG1-CG 3.34Å; T274-R304 PolarHBondContact OG1-NH1 3.29Å; T274-R304 VanDerWaalsContact OG1-NH1 3.08Å; T274-S305 WeakPolarHBondContact CB-O 3.34Å; T274-S305 PolarHBondContact OG1-O 3.08Å; T274-S305 VanDerWaalsContact OG1-O 3.1Å; T274-G308 CarbonylContact C-O 3.55Å; T274-G308 WeakPolarHBondContact CA-O 3.41Å; T274-G308 WeakPolarHBondContact CB-O 3.41Å; T274-G308 WeakPolarHBondContact CG2-O 3.28Å; T274-C310 PolarHBondContact O-SG 3.43Å; T274-A315 HydrophobicContact CG2-CB 4.23Å; T274-L463 PolarHBondContact N-O 3.04Å; T274-L463 PolarHBondContact O-N 2.96Å
275	T	87.8	Confident	80.8	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.092	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	141.8	178.1	55.2	0	0	0	0	110.7	S305 G308 C310 E460 I461	T275-S305 VanDerWaalsContact O-CB 3.31Å; T275-S305 WeakPolarHBondContact O-CB 3.3Å; T275-S305 PolarHBondContact O-N 2.69Å; T275-G308 PolarHBondContact N-O 3.33Å; T275-G308 VanDerWaalsContact OG1-CA 3.31Å; T275-G308 WeakPolarHBondContact OG1-CA 3.35Å; T275-C310 HydrophobicContact CG2-CB 3.76Å; T275-E460 VanDerWaalsContact CB-OE1 3.22Å; T275-E460 WeakPolarHBondContact CB-OE1 3.49Å; T275-E460 HydrophobicContact CG2-CG 4.24Å; T275-E460 WeakPolarHBondContact CG2-OE1 3.1Å; T275-I461 CarbonylContact C-O 3.58Å; T275-I461 WeakPolarHBondContact CA-O 3.42Å
276	A	86.8	Confident	78.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.5	171.4	0	0	0	0	0	111	D303 R304 E460 I461 L463	A276-D303 CarbonylContact C-O 3.56Å; A276-D303 VanDerWaalsContact CA-O 3.27Å; A276-D303 WeakPolarHBondContact CA-O 3.4Å; A276-R304 HydrophobicContact CB-CB 4.04Å; A276-R304 HydrophobicContact CB-CG 4.31Å; A276-E460 WeakPolarHBondContact O-CA 3.45Å; A276-I461 HydrophobicContact CB-CG1 4.14Å; A276-I461 PolarHBondContact N-O 3.05Å; A276-I461 PolarHBondContact O-N 2.71Å; A276-L463 HydrophobicContact CB-CB 4.25Å; A276-L463 HydrophobicContact CB-CD1 3.4Å; A276-L463 HydrophobicContact CB-CG 3.62Å
277	R	83.5	Confident	75.8	Confident	167 Å²	167	70.3 Å²	70.3	63%	0.63	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.8	-177.6	-70.3	-176.4	179.1	174.2	-1.2	110.9	H279 Y302 D303	R277-H279 PolarHBondContact O-CD2 3.11Å; R277-Y302 CarbonylContact O-C 3.54Å; R277-Y302 WeakPolarHBondContact O-CA 3.09Å; R277-D303 PolarHBondContact N-O 2.98Å; R277-D303 PolarHBondContact O-N 2.85Å
278	R	78.3	Confident	73.5	Confident	81 Å²	81	69.8 Å²	69.8	31%	0.306	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.1	178.6	-170.1	175.6	169.6	-102.3	-0.6	110.8	I300 Y302 S456 A458 T459	R278-I300 HydrophobicContact CG-CG2 3.56Å; R278-Y302 HydrophobicContact CB-CD1 4.11Å; R278-Y302 HydrophobicContact CB-CE1 3.65Å; R278-Y302 HydrophobicContact CG-CE1 3.97Å; R278-S456 PolarHBondContact NH1-O 3.42Å; R278-A458 WeakPolarHBondContact CD-O 3.48Å; R278-T459 PolarHBondContact N-O 3.07Å
279	H	75.9	Confident	71.4	Confident	61 Å²	61	80 Å²	80	28%	0.282	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135	171.4	-70.5	-82.2	0	0	0	109.8	R277 I300 F301	R277-H279 PolarHBondContact O-CD2 3.11Å; H279-I300 WeakPolarHBondContact O-CA 3.48Å; H279-F301 WeakPolarHBondContact CA-O 3.42Å; H279-F301 PolarHBondContact N-O 3.5Å; H279-F301 PolarHBondContact O-N 3.44Å; H279-F301 VanDerWaalsContact O-O 3.13Å
280	V	71.7	Confident	69.7	Low	63 Å²	63	80 Å²	80	38%	0.382	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.7	174.2	-176.8	0	0	0	0	107.9	Q282 I300	V280-Q282 PolarHBondContact O-N 3.49Å; V280-I300 HydrophobicContact CG2-CG1 4.47Å
281	C	66.7	Low	68.2	Low	8 Å²	8	77.1 Å²	77.1	5%	0.054	39%	0.386	C	S	.	.			trans	-73.8	118	-178.8	-64.8	0	0	0	0	110.7	C291 G298 Y299	C281-C291 WeakPolarHBondContact CA-SG 3.36Å; C281-C291 HydrophobicContact CB-CB 3.87Å; C281-C291 WeakPolarHBondContact CB-SG 3.27Å; C281-C291 WeakPolarHBondContact SG-CB 3.35Å; C281-C291 CovalentContact SG-SG 2.04Å; C281-C291 PolarHBondContact SG-SG 2.84Å; C281-G298 PolarHBondContact O-N 2.74Å; C281-Y299 PolarHBondContact N-O 3.46Å
282	Q	66.1	Low	66.9	Low	125 Å²	125	74.9 Å²	74.9	58%	0.584	38%	0.377	S	S	*	.			trans	-108.3	139.2	178.6	-68.1	-174.8	-11.9	0	0	110.4	V280 N284 N285	V280-Q282 PolarHBondContact O-N 3.49Å; Q282-N284 PolarHBondContact O-N 3.38Å; Q282-N285 PolarHBondContact O-N 3.22Å
283	P	58.4	Low	65.4	Low	92 Å²	92	79.3 Å²	79.3	60%	0.597	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.3	-176.3	19.4	-28.8	0	0	0	113.7	S297	P283-S297 WeakPolarHBondContact CB-OG 3.26Å
284	N	54.6	Low	63.9	Low	149 Å²	149	85.3 Å²	85.3	80%	0.797	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.4	-170.8	-65.4	-8.5	0	0	0	114.2	Q282 V286	Q282-N284 PolarHBondContact O-N 3.38Å; N284-V286 PolarHBondContact O-N 2.93Å
285	N	51.7	Low	62.4	Low	83 Å²	83	89.9 Å²	89.9	44%	0.444	47%	0.467	S	S	.	.			trans	-100.4	73	-177.5	-146.8	-8.8	0	0	0	110.5	Q282 N287 S288	Q282-N285 PolarHBondContact O-N 3.22Å; N285-N287 PolarHBondContact O-N 3.48Å; N285-S288 PolarHBondContact O-N 3.13Å; N285-S288 PolarHBondContact O-OG 2.95Å
286	V	45.4	Very low	61.1	Low	135 Å²	135	93.1 Å²	93.1	82%	0.818	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-19.8	176.9	-172.1	0	0	0	0	112.1	N284	N284-V286 PolarHBondContact O-N 2.93Å
287	N	43.8	Very low	59.9	Low	141 Å²	141	97.2 Å²	97.2	75%	0.754	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.6	179.2	-76.7	-18.2	0	0	0	115.3	N285 R289	N285-N287 PolarHBondContact O-N 3.48Å; N287-R289 PolarHBondContact O-N 2.89Å
288	S	46.7	Very low	59	Low	38 Å²	38	91.6 Å²	91.6	27%	0.266	51%	0.511	S	S	.	.			trans	-77.9	77.5	170.6	77.4	0	0	0	0	109.2	N285 L290 C291	N285-S288 PolarHBondContact O-N 3.13Å; N285-S288 PolarHBondContact O-OG 2.95Å; S288-L290 PolarHBondContact O-N 3.02Å; S288-C291 PolarHBondContact O-N 2.95Å
289	R	51	Low	58.5	Low	228 Å²	228	93.1 Å²	93.1	86%	0.86	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-11	168.1	-72.6	-177.5	-177.7	-179.1	0.4	114	N287	N287-R289 PolarHBondContact O-N 2.89Å
290	L	55.8	Low	58.1	Low	68 Å²	68	93.2 Å²	93.2	36%	0.356	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-17.8	-177.1	-61.3	171.2	0	0	0	114.2	S288 P292	S288-L290 PolarHBondContact O-N 3.02Å; L290-P292 VanDerWaalsContact O-CD 3.29Å; L290-P292 WeakPolarHBondContact O-CD 3.39Å
291	C	57.9	Low	58.2	Low	31 Å²	31	91.7 Å²	91.7	21%	0.209	51%	0.508	C	S	.	.	S	Bend	trans	-88	111.7	176.8	-77.6	0	0	0	0	109.6	C281 S288	C281-C291 WeakPolarHBondContact CA-SG 3.36Å; C281-C291 HydrophobicContact CB-CB 3.87Å; C281-C291 WeakPolarHBondContact CB-SG 3.27Å; C281-C291 WeakPolarHBondContact SG-CB 3.35Å; C281-C291 CovalentContact SG-SG 2.04Å; C281-C291 PolarHBondContact SG-SG 2.84Å; S288-C291 PolarHBondContact O-N 2.95Å
292	P	56.7	Low	58.7	Low	45 Å²	45	92.7 Å²	92.7	29%	0.292	51%	0.511	S	S	.	.			trans	-63.8	145.4	-179.6	-14.2	28.8	0	0	0	109.7	L290 N294 Y295	L290-P292 VanDerWaalsContact O-CD 3.29Å; L290-P292 WeakPolarHBondContact O-CD 3.39Å; P292-N294 PolarHBondContact O-N 2.89Å; P292-Y295 HydrophobicContact CB-CD2 3.58Å; P292-Y295 HydrophobicContact CB-CE2 3.66Å; P292-Y295 HydrophobicContact CG-CD2 3.6Å; P292-Y295 HydrophobicContact CG-CE2 3.45Å; P292-Y295 VanDerWaalsContact CG-CE2 3.45Å; P292-Y295 PolarHBondContact O-N 2.84Å; P292-Y295 VanDerWaalsContact O-N 3.12Å
293	A	58.2	Low	59.4	Low	106 Å²	106	89 Å²	89	88%	0.876	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.1	-169.8	0	0	0	0	0	115
294	N	56.1	Low	60.8	Low	156 Å²	156	84.8 Å²	84.8	83%	0.834	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	3.4	-175.5	-62.3	-4.8	0	0	0	114	P292	P292-N294 PolarHBondContact O-N 2.89Å
295	Y	57.8	Low	62.5	Low	95 Å²	95	80 Å²	80	37%	0.373	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-91.7	131.7	-175.1	-78.7	-92.3	0	0	0	112.4	P292 Y299	P292-Y295 HydrophobicContact CB-CD2 3.58Å; P292-Y295 HydrophobicContact CB-CE2 3.66Å; P292-Y295 HydrophobicContact CG-CD2 3.6Å; P292-Y295 HydrophobicContact CG-CE2 3.45Å; P292-Y295 VanDerWaalsContact CG-CE2 3.45Å; P292-Y295 PolarHBondContact O-N 2.84Å; P292-Y295 VanDerWaalsContact O-N 3.12Å; Y295-Y299 AromaticContact CD1-CD1 3.15Å; Y295-Y299 HydrophobicContact CD1-CD1 3.15Å; Y295-Y299 HydrophobicContact CD1-CD2 4.04Å; Y295-Y299 AromaticContact CD1-CE1 3.41Å; Y295-Y299 HydrophobicContact CD1-CE1 3.41Å; Y295-Y299 VanDerWaalsContact CD1-CE1 3.41Å; Y295-Y299 HydrophobicContact CD1-CE2 4.24Å; Y295-Y299 AromaticContact CD1-CG 3.5Å; Y295-Y299 HydrophobicContact CD1-CG 3.5Å; Y295-Y299 VanDerWaalsContact CD1-CG 3.5Å; Y295-Y299 AromaticContact CD1-CZ 3.93Å; Y295-Y299 AromaticContact CE1-CD1 3.47Å; Y295-Y299 HydrophobicContact CE1-CD1 3.47Å; Y295-Y299 VanDerWaalsContact CE1-CD1 3.47Å; Y295-Y299 AromaticContact CE1-CE1 3.16Å; Y295-Y299 HydrophobicContact CE1-CE1 3.16Å; Y295-Y299 HydrophobicContact CE1-CE2 4.28Å; Y295-Y299 HydrophobicContact CE1-CG 4.16Å; Y295-Y299 AromaticContact CE1-CZ 3.6Å; Y295-Y299 HydrophobicContact CG-CD1 4.26Å
296	P	59.3	Low	64.3	Low	84 Å²	84	78.4 Å²	78.4	55%	0.545	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-67.5	155.7	177.7	26	-31	0	0	0	111.6	G298 Y299	P296-G298 PolarHBondContact O-N 2.84Å; P296-Y299 HydrophobicContact CG-CD2 4.15Å; P296-Y299 VanDerWaalsContact O-CB 3.23Å; P296-Y299 WeakPolarHBondContact O-CB 3.34Å; P296-Y299 PolarHBondContact O-N 2.88Å; P296-Y299 VanDerWaalsContact O-N 3.12Å
297	S	62.5	Low	66.5	Low	85 Å²	85	73.8 Å²	73.8	59%	0.594	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133.8	175.7	-70.1	0	0	0	0	110.9	P283 Y299	P283-S297 WeakPolarHBondContact CB-OG 3.26Å; S297-Y299 VanDerWaalsContact C-N 3.33Å
298	G	65	Low	68.7	Low	50 Å²	50	68 Å²	68	52%	0.515	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-4	-177.1	0	0	0	0	0	114.8	C281 P296	C281-G298 PolarHBondContact O-N 2.74Å; P296-G298 PolarHBondContact O-N 2.84Å
299	Y	66.7	Low	70.5	Confident	112 Å²	112	69.6 Å²	69.6	44%	0.439	38%	0.384	S	S	.	.			trans	-66.2	142.3	176.3	-161.8	-84.4	0	0	0	111.7	C281 Y295 P296 S297	C281-Y299 PolarHBondContact N-O 3.46Å; Y295-Y299 AromaticContact CD1-CD1 3.15Å; Y295-Y299 HydrophobicContact CD1-CD1 3.15Å; Y295-Y299 HydrophobicContact CD1-CD2 4.04Å; Y295-Y299 AromaticContact CD1-CE1 3.41Å; Y295-Y299 HydrophobicContact CD1-CE1 3.41Å; Y295-Y299 VanDerWaalsContact CD1-CE1 3.41Å; Y295-Y299 HydrophobicContact CD1-CE2 4.24Å; Y295-Y299 AromaticContact CD1-CG 3.5Å; Y295-Y299 HydrophobicContact CD1-CG 3.5Å; Y295-Y299 VanDerWaalsContact CD1-CG 3.5Å; Y295-Y299 AromaticContact CD1-CZ 3.93Å; Y295-Y299 AromaticContact CE1-CD1 3.47Å; Y295-Y299 HydrophobicContact CE1-CD1 3.47Å; Y295-Y299 VanDerWaalsContact CE1-CD1 3.47Å; Y295-Y299 AromaticContact CE1-CE1 3.16Å; Y295-Y299 HydrophobicContact CE1-CE1 3.16Å; Y295-Y299 HydrophobicContact CE1-CE2 4.28Å; Y295-Y299 HydrophobicContact CE1-CG 4.16Å; Y295-Y299 AromaticContact CE1-CZ 3.6Å; Y295-Y299 HydrophobicContact CG-CD1 4.26Å; P296-Y299 HydrophobicContact CG-CD2 4.15Å; P296-Y299 VanDerWaalsContact O-CB 3.23Å; P296-Y299 WeakPolarHBondContact O-CB 3.34Å; P296-Y299 PolarHBondContact O-N 2.88Å; P296-Y299 VanDerWaalsContact O-N 3.12Å; S297-Y299 VanDerWaalsContact C-N 3.33Å
300	I	67.6	Low	71.9	Confident	63 Å²	63	61.1 Å²	61.1	32%	0.323	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.3	-179.2	-58.4	167.2	0	0	0	108.9	R278 H279 V280 Y302	R278-I300 HydrophobicContact CG-CG2 3.56Å; H279-I300 WeakPolarHBondContact O-CA 3.48Å; V280-I300 HydrophobicContact CG2-CG1 4.47Å; I300-Y302 HydrophobicContact CG2-CD2 4.41Å; I300-Y302 HydrophobicContact CG2-CE2 3.87Å
301	F	73.7	Confident	72.8	Confident	31 Å²	31	59 Å²	59	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.1	174.9	173.1	-100.6	0	0	0	109.8	H279 D303 I329	H279-F301 WeakPolarHBondContact CA-O 3.42Å; H279-F301 PolarHBondContact N-O 3.5Å; H279-F301 PolarHBondContact O-N 3.44Å; H279-F301 VanDerWaalsContact O-O 3.13Å; F301-D303 HydrophobicContact CD1-CB 4.46Å; F301-D303 HydrophobicContact CE1-CB 3.87Å; F301-I329 HydrophobicContact CZ-CG2 3.84Å
302	Y	77.7	Confident	73.4	Confident	30 Å²	30	66.9 Å²	66.9	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.5	176	-74.8	-85.8	0	0	0	109.9	R277 R278 I300 S453 I461	R277-Y302 CarbonylContact O-C 3.54Å; R277-Y302 WeakPolarHBondContact O-CA 3.09Å; R278-Y302 HydrophobicContact CB-CD1 4.11Å; R278-Y302 HydrophobicContact CB-CE1 3.65Å; R278-Y302 HydrophobicContact CG-CE1 3.97Å; I300-Y302 HydrophobicContact CG2-CD2 4.41Å; I300-Y302 HydrophobicContact CG2-CE2 3.87Å; Y302-S453 PolarHBondContact OH-O 3.22Å; Y302-I461 HydrophobicContact CD1-CD1 3.49Å; Y302-I461 VanDerWaalsContact CD1-CD1 3.49Å; Y302-I461 HydrophobicContact CD1-CG1 3.63Å; Y302-I461 HydrophobicContact CD2-CD1 4.06Å; Y302-I461 HydrophobicContact CE1-CD1 3.55Å; Y302-I461 HydrophobicContact CE1-CG1 3.74Å; Y302-I461 HydrophobicContact CE1-CG2 4.11Å; Y302-I461 HydrophobicContact CE2-CD1 4.12Å; Y302-I461 HydrophobicContact CG-CD1 3.75Å; Y302-I461 HydrophobicContact CG-CG1 4.32Å
303	D	81.5	Confident	74.1	Confident	47 Å²	47	70.8 Å²	70.8	25%	0.251	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.8	177.2	-173.5	17.3	0	0	0	109.8	A276 R277 F301	A276-D303 CarbonylContact C-O 3.56Å; A276-D303 VanDerWaalsContact CA-O 3.27Å; A276-D303 WeakPolarHBondContact CA-O 3.4Å; R277-D303 PolarHBondContact N-O 2.98Å; R277-D303 PolarHBondContact O-N 2.85Å; F301-D303 HydrophobicContact CD1-CB 4.46Å; F301-D303 HydrophobicContact CE1-CB 3.87Å
304	R	87.8	Confident	75.1	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.9	-177.6	-170	168.7	60.9	89.8	-2.9	111.3	T274 A276 T328 E344 L463 K466 T467	T274-R304 WeakPolarHBondContact OG1-CD 3.33Å; T274-R304 WeakPolarHBondContact OG1-CG 3.34Å; T274-R304 PolarHBondContact OG1-NH1 3.29Å; T274-R304 VanDerWaalsContact OG1-NH1 3.08Å; A276-R304 HydrophobicContact CB-CB 4.04Å; A276-R304 HydrophobicContact CB-CG 4.31Å; R304-T328 PolarHBondContact O-OG1 2.74Å; R304-E344 IonicContact CZ-OE1 3.17Å; R304-E344 VanDerWaalsContact CZ-OE1 3.29Å; R304-E344 IonicContact NE-OE1 2.91Å; R304-E344 PolarHBondContact NE-OE1 3.27Å; R304-E344 IonicContact NH2-OE1 2.68Å; R304-E344 PolarHBondContact NH2-OE1 3.38Å; R304-L463 HydrophobicContact CB-CD1 4.44Å; R304-L463 HydrophobicContact CG-CB 4.28Å; R304-K466 PolarHBondContact NH2-O 3.01Å; R304-T467 PolarHBondContact NH1-OG1 3.01Å; R304-T467 VanDerWaalsContact NH1-OG1 3.11Å
305	S	89.5	Confident	76.4	Confident	48 Å²	48	66.9 Å²	66.9	34%	0.336	36%	0.36	S	S	.	.			trans	-65.2	143.2	172	-175.1	0	0	0	0	111.2	T274 T275 N307 G308	T274-S305 WeakPolarHBondContact CB-O 3.34Å; T274-S305 PolarHBondContact OG1-O 3.08Å; T274-S305 VanDerWaalsContact OG1-O 3.1Å; T275-S305 VanDerWaalsContact O-CB 3.31Å; T275-S305 WeakPolarHBondContact O-CB 3.3Å; T275-S305 PolarHBondContact O-N 2.69Å; S305-N307 VanDerWaalsContact C-N 3.32Å; S305-N307 PolarHBondContact OG-N 3.05Å; S305-G308 PolarHBondContact OG-N 3.09Å
306	I	90.2	Very high	77.8	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.256	37%	0.372	S	S	.	.	S	Bend	trans	-71.4	-30.6	174.2	-63.8	153.3	0	0	0	111.5	R272 L318 Y326 T328 T467	R272-I306 PolarHBondContact NH2-O 2.96Å; I306-L318 HydrophobicContact CG2-CB 3.94Å; I306-L318 HydrophobicContact CG2-CD1 3.83Å; I306-L318 HydrophobicContact CG2-CG 4.4Å; I306-Y326 HydrophobicContact CD1-CD2 4.49Å; I306-Y326 HydrophobicContact CD1-CG 4.43Å; I306-Y326 HydrophobicContact CG2-CD2 4.47Å; I306-Y326 HydrophobicContact CG2-CG 4.22Å; I306-T328 HydrophobicContact CG1-CG2 4.21Å; I306-T467 HydrophobicContact CG2-CG2 4.32Å
307	N	91.5	Very high	79.3	Confident	38 Å²	38	70.1 Å²	70.1	20%	0.203	38%	0.375	C	S	.	.	S	Bend	trans	-131.1	-6.9	-168.5	-73.8	-40.7	0	0	0	114.9	S305 Q309 Y317 L318	S305-N307 VanDerWaalsContact C-N 3.32Å; S305-N307 PolarHBondContact OG-N 3.05Å; N307-Q309 PolarHBondContact O-N 3.09Å; N307-Q309 PolarHBondContact O-NE2 3.29Å; N307-Y317 HydrophobicContact CB-CD2 4.07Å; N307-Y317 HydrophobicContact CB-CE2 4.12Å; N307-Y317 WeakPolarHBondContact ND2-CE2 3.46Å; N307-L318 PolarHBondContact ND2-O 3.23Å; N307-L318 PolarHBondContact OD1-N 3.46Å
308	G	89.2	Confident	80.8	Confident	19 Å²	19	66.4 Å²	66.4	20%	0.196	35%	0.349	C	S	.	.			trans	-68.7	122.8	-179.6	0	0	0	0	0	111	T274 T275 S305	T274-G308 CarbonylContact C-O 3.55Å; T274-G308 WeakPolarHBondContact CA-O 3.41Å; T274-G308 WeakPolarHBondContact CB-O 3.41Å; T274-G308 WeakPolarHBondContact CG2-O 3.28Å; T275-G308 PolarHBondContact N-O 3.33Å; T275-G308 VanDerWaalsContact OG1-CA 3.31Å; T275-G308 WeakPolarHBondContact OG1-CA 3.35Å; S305-G308 PolarHBondContact OG-N 3.09Å
309	Q	85.7	Confident	82	Confident	72 Å²	72	66.6 Å²	66.6	34%	0.336	34%	0.341	S	S	.	.			trans	-91.9	132.3	-170.3	-55.9	-65.6	-38.9	0	0	110.4	N307 A315	N307-Q309 PolarHBondContact O-N 3.09Å; N307-Q309 PolarHBondContact O-NE2 3.29Å; Q309-A315 PolarHBondContact NE2-O 2.96Å
310	C	80.6	Confident	83	Confident	50 Å²	50	66.5 Å²	66.5	34%	0.338	35%	0.354	S	S	.	.			trans	-130.5	-8.2	178	50.6	0	0	0	0	114.9	T274 T275 C462	T274-C310 PolarHBondContact O-SG 3.43Å; T275-C310 HydrophobicContact CG2-CB 3.76Å; C310-C462 HydrophobicContact CB-CB 3.55Å; C310-C462 WeakPolarHBondContact CB-SG 3.49Å; C310-C462 WeakPolarHBondContact SG-CA 3.43Å; C310-C462 WeakPolarHBondContact SG-CB 3.41Å; C310-C462 CovalentContact SG-SG 2.03Å; C310-C462 PolarHBondContact SG-SG 2.86Å
311	T	73.4	Confident	84	Confident	24 Å²	24	66.4 Å²	66.4	15%	0.147	35%	0.352	C	S	.	.	S	Bend	trans	-117.7	160	-178	45.2	0	0	0	0	111.5	H273 N313 Y348	H273-T311 HydrophobicContact CB-CG2 3.83Å; H273-T311 WeakPolarHBondContact CB-OG1 3.37Å; T311-N313 VanDerWaalsContact C-N 3.3Å; T311-N313 PolarHBondContact OG1-O 3.46Å; T311-Y348 HydrophobicContact CG2-CD2 4.01Å
312	Q	70.9	Confident	84.7	Confident	195 Å²	195	70.6 Å²	70.6	91%	0.911	38%	0.376	S	S	*	.	S	Bend	trans	-62.7	-39.9	171	-67.9	-176.4	-1	0	0	111.2	K314	Q312-K314 PolarHBondContact O-N 3.05Å
313	N	71.3	Confident	85.5	Confident	128 Å²	128	69.5 Å²	69.5	68%	0.684	37%	0.372	S	S	*	.	S	Bend	trans	-73.5	95.2	168.8	-68.2	-12.2	0	0	0	108.7	T311	T311-N313 VanDerWaalsContact C-N 3.3Å; T311-N313 PolarHBondContact OG1-O 3.46Å
314	K	79.1	Confident	86.1	Confident	166 Å²	166	67.4 Å²	67.4	72%	0.722	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-68.8	131	-178.4	-68.2	-177.7	-178.7	178	0	110.5	Q312	Q312-K314 PolarHBondContact O-N 3.05Å
315	A	83.7	Confident	86.4	Confident	14 Å²	14	67.7 Å²	67.7	12%	0.116	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.6	134.1	172.4	0	0	0	0	0	109.6	T274 Q309 Y317	T274-A315 HydrophobicContact CG2-CB 4.23Å; Q309-A315 PolarHBondContact NE2-O 2.96Å; A315-Y317 PolarHBondContact O-N 3Å
316	S	87.1	Confident	86.7	Confident	91 Å²	91	66.7 Å²	66.7	64%	0.636	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-52.2	131.5	179.4	-53.4	0	0	0	0	111.1	R272 L318	R272-S316 PolarHBondContact NH1-O 2.98Å; R272-S316 PolarHBondContact NH2-O 3.03Å; S316-L318 PolarHBondContact O-N 3.39Å
317	Y	91.6	Very high	86.9	Confident	155 Å²	155	64.3 Å²	64.3	61%	0.608	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-64.4	130.6	-179.1	-178.7	-101.3	0	0	0	111.1	N307 A315 P319	N307-Y317 HydrophobicContact CB-CD2 4.07Å; N307-Y317 HydrophobicContact CB-CE2 4.12Å; N307-Y317 WeakPolarHBondContact ND2-CE2 3.46Å; A315-Y317 PolarHBondContact O-N 3Å; Y317-P319 HydrophobicContact CD1-CB 4.29Å; Y317-P319 HydrophobicContact CE1-CB 3.84Å; Y317-P319 WeakPolarHBondContact O-CD 3.41Å
318	L	92.8	Very high	86.8	Confident	7 Å²	7	63 Å²	63	4%	0.037	33%	0.332	C	S	.	.			trans	-103.7	103.4	176.2	-62.7	-179	0	0	0	109	Y269 I306 N307 S316 Y326 T467	Y269-L318 HydrophobicContact CD1-CD2 4Å; Y269-L318 HydrophobicContact CD2-CD1 3.93Å; Y269-L318 HydrophobicContact CD2-CD2 4.11Å; Y269-L318 HydrophobicContact CE1-CD2 3.67Å; Y269-L318 HydrophobicContact CE2-CD1 4.23Å; Y269-L318 HydrophobicContact CE2-CD2 3.78Å; Y269-L318 HydrophobicContact CG-CD1 4.23Å; Y269-L318 HydrophobicContact CG-CD2 4.21Å; I306-L318 HydrophobicContact CG2-CB 3.94Å; I306-L318 HydrophobicContact CG2-CD1 3.83Å; I306-L318 HydrophobicContact CG2-CG 4.4Å; N307-L318 PolarHBondContact ND2-O 3.23Å; N307-L318 PolarHBondContact OD1-N 3.46Å; S316-L318 PolarHBondContact O-N 3.39Å; L318-Y326 HydrophobicContact CB-CE1 3.91Å; L318-Y326 HydrophobicContact CB-CE2 4.32Å; L318-Y326 HydrophobicContact CD1-CD1 3.9Å; L318-Y326 HydrophobicContact CD1-CE1 3.79Å; L318-Y326 HydrophobicContact CD2-CE1 4.34Å; L318-Y326 HydrophobicContact CG-CE1 4.22Å; L318-T467 HydrophobicContact CD1-CG2 4.15Å
319	P	90.7	Very high	86.5	Confident	54 Å²	54	64 Å²	64	35%	0.351	33%	0.333	S	S	.	.			trans	-73.2	149.7	-176.3	29.9	-34.9	0	0	0	111.5	Y317 Y326	Y317-P319 HydrophobicContact CD1-CB 4.29Å; Y317-P319 HydrophobicContact CE1-CB 3.84Å; Y317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-Y326 PolarHBondContact O-OH 3.42Å; P319-Y326 VanDerWaalsContact O-OH 3.11Å
320	P	88.3	Confident	86.5	Confident	111 Å²	111	63.9 Å²	63.9	72%	0.721	33%	0.334	S	S	*	.			trans	-62.2	140.7	169.4	28.4	-33.8	0	0	0	110.1
321	Q	88.5	Confident	86.8	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-134.5	142	173.9	-43.2	-174.4	-26.5	0	0	109.5	N323 S324	Q321-N323 PolarHBondContact O-N 3.41Å; Q321-S324 WeakPolarHBondContact CB-OG 3.39Å; Q321-S324 PolarHBondContact O-N 3.49Å; Q321-S324 VanDerWaalsContact O-N 3.15Å; Q321-S324 PolarHBondContact OE1-OG 3Å
322	L	88	Confident	87.6	Confident	120 Å²	120	62.8 Å²	62.8	63%	0.628	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-36.6	-177.8	-69.7	172.4	0	0	0	113.2	T626 G630	L322-T626 CarbonylContact C-O 3.52Å; L322-G630 VanDerWaalsContact O-CA 3.25Å; L322-G630 WeakPolarHBondContact O-CA 3.3Å; L322-G630 PolarHBondContact O-N 2.96Å
323	N	93.2	Very high	88.6	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.032	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	16.7	-177.9	72.7	-52.4	0	0	0	113.6	I229 R235 Q321 T471 L472 N473 T626 W629	I229-N323 HydrophobicContact CD1-CB 3.81Å; I229-N323 WeakPolarHBondContact CD1-ND2 3.45Å; R235-N323 PolarHBondContact NH1-OD1 3.44Å; Q321-N323 PolarHBondContact O-N 3.41Å; N323-T471 WeakPolarHBondContact ND2-CG2 3.42Å; N323-T471 WeakPolarHBondContact O-CA 3.36Å; N323-L472 PolarHBondContact ND2-O 2.04Å; N323-L472 PolarHBondContact O-N 2.88Å; N323-N473 PolarHBondContact ND2-OD1 3.04Å; N323-T626 HydrophobicContact CB-CG2 3.99Å; N323-T626 PolarHBondContact N-O 3.05Å; N323-W629 VanDerWaalsContact C-CD1 3.45Å
324	S	94.9	Very high	89.6	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146.7	174.4	75.9	0	0	0	0	114	Q321 K469 F470	Q321-S324 WeakPolarHBondContact CB-OG 3.39Å; Q321-S324 PolarHBondContact O-N 3.49Å; Q321-S324 VanDerWaalsContact O-N 3.15Å; Q321-S324 PolarHBondContact OE1-OG 3Å; S324-K469 WeakPolarHBondContact OG-CE 3.27Å; S324-F470 WeakPolarHBondContact CA-O 3.43Å; S324-F470 WeakPolarHBondContact CB-O 2.89Å
325	F	95.2	Very high	90.2	Very high	11 Å²	11	42.2 Å²	42.2	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	171.2	166.6	68.9	-90.9	0	0	0	110.5	C327 L333 F470 W629 Q632 T633	F325-C327 VanDerWaalsContact CE2-SG 3.58Å; F325-L333 HydrophobicContact CE2-CD2 4.13Å; F325-L333 HydrophobicContact CZ-CD2 3.64Å; F325-F470 HydrophobicContact CE1-CB 4.17Å; F325-F470 HydrophobicContact CE2-CB 4.4Å; F325-F470 HydrophobicContact CE2-CD2 4.05Å; F325-F470 HydrophobicContact CZ-CB 4.09Å; F325-F470 HydrophobicContact CZ-CD2 4.34Å; F325-F470 HydrophobicContact CZ-CG 4.43Å; F325-F470 PolarHBondContact N-O 3.34Å; F325-F470 VanDerWaalsContact N-O 3.14Å; F325-F470 PolarHBondContact O-N 3.03Å; F325-W629 AromaticContact CD1-CD1 3.92Å; F325-W629 HydrophobicContact CD1-CD2 4.41Å; F325-W629 AromaticContact CD1-CE2 3.87Å; F325-W629 HydrophobicContact CD1-CG 4.48Å; F325-W629 HydrophobicContact CD1-CZ2 4.3Å; F325-W629 AromaticContact CD1-NE1 3.55Å; F325-W629 WeakPolarHBondContact CD1-O 3.43Å; F325-W629 HydrophobicContact CE1-CD2 4.1Å; F325-W629 AromaticContact CE1-CE2 3.42Å; F325-W629 VanDerWaalsContact CE1-CE2 3.42Å; F325-W629 HydrophobicContact CE1-CH2 4.11Å; F325-W629 AromaticContact CE1-CZ2 3.41Å; F325-W629 HydrophobicContact CE1-CZ2 3.41Å; F325-W629 VanDerWaalsContact CE1-CZ2 3.41Å; F325-W629 AromaticContact CE1-NE1 3.57Å; F325-W629 HydrophobicContact CZ-CZ2 4.12Å; F325-Q632 HydrophobicContact CD1-CB 3.91Å; F325-Q632 HydrophobicContact CE1-CB 3.72Å; F325-Q632 HydrophobicContact CZ-CB 4.35Å; F325-T633 VanDerWaalsContact CE2-C 3.49Å
326	Y	95.2	Very high	90.5	Very high	26 Å²	26	49 Å²	49	10%	0.102	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.4	-173.4	-58.2	-89	0	0	0	111.7	Y269 I306 L318 P319 T467 L468 K469	Y269-Y326 HydrophobicContact CE2-CE1 4.08Å; I306-Y326 HydrophobicContact CD1-CD2 4.49Å; I306-Y326 HydrophobicContact CD1-CG 4.43Å; I306-Y326 HydrophobicContact CG2-CD2 4.47Å; I306-Y326 HydrophobicContact CG2-CG 4.22Å; L318-Y326 HydrophobicContact CB-CE1 3.91Å; L318-Y326 HydrophobicContact CB-CE2 4.32Å; L318-Y326 HydrophobicContact CD1-CD1 3.9Å; L318-Y326 HydrophobicContact CD1-CE1 3.79Å; L318-Y326 HydrophobicContact CD2-CE1 4.34Å; L318-Y326 HydrophobicContact CG-CE1 4.22Å; P319-Y326 PolarHBondContact O-OH 3.42Å; P319-Y326 VanDerWaalsContact O-OH 3.11Å; Y326-T467 HydrophobicContact CD1-CG2 4.34Å; Y326-L468 CarbonylContact C-O 3.46Å; Y326-L468 VanDerWaalsContact CA-O 3.27Å; Y326-L468 WeakPolarHBondContact CA-O 3.45Å; Y326-K469 HydrophobicContact CD1-CB 3.7Å; Y326-K469 HydrophobicContact CD1-CG 3.97Å; Y326-K469 HydrophobicContact CE1-CB 3.63Å; Y326-K469 HydrophobicContact CE1-CD 3.8Å; Y326-K469 HydrophobicContact CE1-CG 3.56Å
327	C	93.1	Very high	90.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.3	177.3	-70.2	0	0	0	0	112.6	F325 V334 I342 T467 L468 F470 C634	F325-C327 VanDerWaalsContact CE2-SG 3.58Å; C327-V334 HydrophobicContact CB-CG2 4.36Å; C327-I342 HydrophobicContact CB-CD1 4.43Å; C327-T467 WeakPolarHBondContact O-CA 3.43Å; C327-L468 HydrophobicContact CB-CB 4.45Å; C327-L468 PolarHBondContact N-O 3.07Å; C327-L468 PolarHBondContact O-N 2.89Å; C327-F470 HydrophobicContact CB-CD2 4.35Å; C327-F470 HydrophobicContact CB-CE2 3.86Å; C327-C634 WeakPolarHBondContact CA-SG 3.12Å; C327-C634 HydrophobicContact CB-CB 4.07Å; C327-C634 WeakPolarHBondContact CB-SG 3.47Å; C327-C634 WeakPolarHBondContact SG-CA 3.22Å; C327-C634 WeakPolarHBondContact SG-CB 3.47Å; C327-C634 CovalentContact SG-SG 2.02Å; C327-C634 PolarHBondContact SG-SG 2.84Å
328	T	89.8	Confident	90.8	Very high	11 Å²	11	38 Å²	38	7%	0.067	20%	0.203	C	C	.	.			trans	-112.5	-4.5	171.3	51.5	0	0	0	0	111.7	R304 I306 I342 T467	R304-T328 PolarHBondContact O-OG1 2.74Å; I306-T328 HydrophobicContact CG1-CG2 4.21Å; T328-I342 WeakPolarHBondContact O-CG2 3.33Å; T328-T467 HydrophobicContact CG2-CG2 4.04Å
329	I	84.3	Confident	90.7	Very high	41 Å²	41	43.9 Å²	43.9	21%	0.21	23%	0.23	C	C	.	.	S	Bend	trans	-119.5	151.9	-177.7	63.8	171.7	0	0	0	112.1	F301 C634	F301-I329 HydrophobicContact CZ-CG2 3.84Å; I329-C634 HydrophobicContact CD1-CB 4.29Å; I329-C634 HydrophobicContact CG1-CB 3.96Å
330	N	85.1	Confident	90.7	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.364	22%	0.223	S	C	.	.			trans	-65.9	136	168.6	-72	-46.2	0	0	0	110.5	N335 N341 I342	N330-N335 WeakPolarHBondContact CB-OD1 3.34Å; N330-N335 PolarHBondContact OD1-OD1 3.5Å; N330-N335 VanDerWaalsContact OD1-OD1 3.13Å; N330-N341 WeakPolarHBondContact OD1-CA 3.39Å; N330-I342 PolarHBondContact ND2-O 3.41Å; N330-I342 PolarHBondContact OD1-N 3.03Å
331	S	87.2	Confident	90.7	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.049	21%	0.212	C	C	.	.			trans	-150.7	168.5	179	81.7	0	0	0	0	110.6	L333 V334 N335 C634	S331-L333 PolarHBondContact O-N 3.08Å; S331-L333 PolarHBondContact OG-N 3.47Å; S331-V334 PolarHBondContact O-N 3.5Å; S331-V334 PolarHBondContact OG-N 3.28Å; S331-N335 PolarHBondContact N-OD1 3.4Å; S331-N335 PolarHBondContact O-N 3.27Å; S331-N335 PolarHBondContact O-OD1 3.36Å; S331-C634 WeakPolarHBondContact CB-O 3.4Å; S331-C634 PolarHBondContact OG-O 3.43Å
332	P	89.2	Confident	90.6	Very high	44 Å²	44	39.8 Å²	39.8	29%	0.286	20%	0.2	S	C	.	.	H	α-helix	trans	-54.8	-35.7	174.4	-26.8	36.3	0	0	0	113	K336 L337 I638	P332-K336 HydrophobicContact CB-CD 4.41Å; P332-K336 WeakPolarHBondContact O-CA 3.31Å; P332-K336 VanDerWaalsContact O-CB 3.24Å; P332-K336 WeakPolarHBondContact O-CB 3.3Å; P332-K336 PolarHBondContact O-N 3.44Å; P332-L337 PolarHBondContact O-N 3.38Å; P332-L337 VanDerWaalsContact O-N 3.15Å; P332-I638 HydrophobicContact CB-CD1 3.61Å; P332-I638 HydrophobicContact CB-CG1 3.99Å; P332-I638 HydrophobicContact CB-CG2 4.32Å
333	L	93.3	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-60.8	-48.5	173.8	176.1	64.6	0	0	0	111.5	L264 F325 S331 L337 F338 F470 I636 I638	L264-L333 HydrophobicContact CD2-CD1 4.11Å; F325-L333 HydrophobicContact CE2-CD2 4.13Å; F325-L333 HydrophobicContact CZ-CD2 3.64Å; S331-L333 PolarHBondContact O-N 3.08Å; S331-L333 PolarHBondContact OG-N 3.47Å; L333-L337 HydrophobicContact CD1-CB 4.41Å; L333-L337 HydrophobicContact CD1-CD2 3.61Å; L333-L337 VanDerWaalsContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CB 3.41Å; L333-L337 PolarHBondContact O-N 2.92Å; L333-F338 HydrophobicContact CD1-CD2 4.1Å; L333-F338 HydrophobicContact CD1-CE2 4.04Å; L333-F338 PolarHBondContact O-N 2.76Å; L333-F338 VanDerWaalsContact O-N 3.15Å; L333-F470 HydrophobicContact CD1-CD1 4.39Å; L333-F470 HydrophobicContact CD1-CE1 4.28Å; L333-F470 HydrophobicContact CD2-CB 4.5Å; L333-F470 HydrophobicContact CD2-CD1 3.87Å; L333-F470 HydrophobicContact CD2-CD2 3.76Å; L333-F470 HydrophobicContact CD2-CE1 3.97Å; L333-F470 HydrophobicContact CD2-CE2 3.86Å; L333-F470 HydrophobicContact CD2-CG 3.77Å; L333-F470 HydrophobicContact CD2-CZ 3.96Å; L333-F470 HydrophobicContact CG-CD1 4.16Å; L333-F470 HydrophobicContact CG-CE1 3.85Å; L333-F470 HydrophobicContact CG-CE2 4.3Å; L333-F470 HydrophobicContact CG-CZ 3.93Å; L333-I636 HydrophobicContact CB-CG2 3.98Å; L333-I636 HydrophobicContact CD1-CG2 4.49Å; L333-I636 HydrophobicContact CD2-CG2 3.94Å; L333-I636 HydrophobicContact CG-CG2 4.37Å; L333-I638 HydrophobicContact CB-CG2 4.17Å
334	V	92.3	Very high	89.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-69.7	-52.4	-177.5	179.1	0	0	0	0	111	C327 S331 F338 Q339 E340 I342 L468 F470	C327-V334 HydrophobicContact CB-CG2 4.36Å; S331-V334 PolarHBondContact O-N 3.5Å; S331-V334 PolarHBondContact OG-N 3.28Å; V334-F338 CarbonylContact O-C 3.51Å; V334-F338 WeakPolarHBondContact O-CB 3.42Å; V334-F338 PolarHBondContact O-N 2.88Å; V334-Q339 PolarHBondContact O-N 2.8Å; V334-E340 HydrophobicContact CG1-CB 3.83Å; V334-E340 PolarHBondContact O-N 3.46Å; V334-I342 HydrophobicContact CG1-CG1 4.22Å; V334-L468 HydrophobicContact CB-CD1 4.45Å; V334-L468 HydrophobicContact CG1-CD1 3.6Å; V334-L468 HydrophobicContact CG2-CD1 4.06Å; V334-F470 HydrophobicContact CG2-CE2 4Å; V334-F470 HydrophobicContact CG2-CZ 3.87Å
335	N	90.6	Very high	88.8	Confident	57 Å²	57	39.9 Å²	39.9	31%	0.305	20%	0.201	S	C	.	.	I	π-helix	trans	-86.7	-42.6	-166.3	-61.4	34.2	0	0	0	112.4	N330 S331 Q339 E340 N341	N330-N335 WeakPolarHBondContact CB-OD1 3.34Å; N330-N335 PolarHBondContact OD1-OD1 3.5Å; N330-N335 VanDerWaalsContact OD1-OD1 3.13Å; S331-N335 PolarHBondContact N-OD1 3.4Å; S331-N335 PolarHBondContact O-N 3.27Å; S331-N335 PolarHBondContact O-OD1 3.36Å; N335-Q339 WeakPolarHBondContact O-CA 3.47Å; N335-E340 VanDerWaalsContact CA-O 3.31Å; N335-E340 WeakPolarHBondContact CA-O 3.43Å; N335-E340 PolarHBondContact OD1-O 3.2Å; N335-N341 PolarHBondContact ND2-OD1 2.92Å; N335-N341 VanDerWaalsContact ND2-OD1 3.14Å
336	K	89.2	Confident	87.9	Confident	157 Å²	157	40.9 Å²	40.9	68%	0.683	21%	0.206	S	C	*	.	I	π-helix	trans	-86.5	-44	-177.2	-59.4	-173.8	175.9	-175.9	0	111.6	P332 I638	P332-K336 HydrophobicContact CB-CD 4.41Å; P332-K336 WeakPolarHBondContact O-CA 3.31Å; P332-K336 VanDerWaalsContact O-CB 3.24Å; P332-K336 WeakPolarHBondContact O-CB 3.3Å; P332-K336 PolarHBondContact O-N 3.44Å; K336-I638 HydrophobicContact CB-CD1 4.07Å; K336-I638 HydrophobicContact CD-CD1 4.19Å
337	L	91.9	Very high	86.8	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.084	20%	0.202	C	C	.	.	I	π-helix	trans	-84.7	-43.3	-173.7	-161.8	68.8	0	0	0	112.7	L264 P332 L333 P603 I614 I641	L264-L337 HydrophobicContact CD2-CD2 4.17Å; P332-L337 PolarHBondContact O-N 3.38Å; P332-L337 VanDerWaalsContact O-N 3.15Å; L333-L337 HydrophobicContact CD1-CB 4.41Å; L333-L337 HydrophobicContact CD1-CD2 3.61Å; L333-L337 VanDerWaalsContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CB 3.41Å; L333-L337 PolarHBondContact O-N 2.92Å; L337-P603 HydrophobicContact CD1-CG 4.12Å; L337-I614 HydrophobicContact CD1-CD1 3.94Å; L337-I614 HydrophobicContact CD2-CD1 3.35Å; L337-I614 HydrophobicContact CG-CD1 3.46Å; L337-I614 VanDerWaalsContact CG-CD1 3.46Å; L337-I641 HydrophobicContact CD2-CD1 4.19Å; L337-I641 HydrophobicContact CD2-CG2 4.19Å
338	F	94.1	Very high	85.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-100.6	-3	-178.1	-83	-89.3	0	0	0	115.2	L264 M266 L333 V334 E340 F470 L605 K612 I614	L264-F338 HydrophobicContact CD2-CE2 4.05Å; L264-F338 HydrophobicContact CD2-CZ 4.47Å; L264-F338 HydrophobicContact CG-CE2 3.95Å; L264-F338 HydrophobicContact CG-CZ 3.91Å; L264-F338 WeakPolarHBondContact O-CZ 3.5Å; M266-F338 HydrophobicContact CB-CD1 3.46Å; M266-F338 VanDerWaalsContact CB-CD1 3.46Å; M266-F338 HydrophobicContact CB-CE1 3.36Å; M266-F338 HydrophobicContact CB-CG 4.11Å; M266-F338 HydrophobicContact CB-CZ 3.92Å; M266-F338 HydrophobicContact CG-CD1 4.24Å; M266-F338 HydrophobicContact SD-CB 3.97Å; M266-F338 HydrophobicContact SD-CD1 3.93Å; M266-F338 HydrophobicContact SD-CG 4.07Å; L333-F338 HydrophobicContact CD1-CD2 4.1Å; L333-F338 HydrophobicContact CD1-CE2 4.04Å; L333-F338 PolarHBondContact O-N 2.76Å; L333-F338 VanDerWaalsContact O-N 3.15Å; V334-F338 CarbonylContact O-C 3.51Å; V334-F338 WeakPolarHBondContact O-CB 3.42Å; V334-F338 PolarHBondContact O-N 2.88Å; F338-E340 PolarHBondContact O-N 3.45Å; F338-F470 HydrophobicContact CD2-CD1 4.26Å; F338-F470 AromaticContact CD2-CE1 3.52Å; F338-F470 HydrophobicContact CD2-CE1 3.52Å; F338-F470 HydrophobicContact CD2-CZ 4.45Å; F338-F470 AromaticContact CE2-CD1 3.9Å; F338-F470 HydrophobicContact CE2-CD1 3.9Å; F338-F470 AromaticContact CE2-CE1 3.64Å; F338-F470 HydrophobicContact CE2-CE1 3.64Å; F338-F470 AromaticContact CG-CE1 3.99Å; F338-F470 HydrophobicContact CG-CE1 3.99Å; F338-F470 HydrophobicContact CZ-CD1 4.31Å; F338-F470 HydrophobicContact CZ-CE1 4.23Å; F338-L605 HydrophobicContact CD1-CD1 3.74Å; F338-L605 HydrophobicContact CE1-CD1 4.16Å; F338-L605 HydrophobicContact CG-CD1 4.46Å; F338-L605 WeakPolarHBondContact O-CD2 3.34Å; F338-K612 HydrophobicContact CD1-CB 3.86Å; F338-K612 HydrophobicContact CE1-CB 4.06Å; F338-K612 PolarHBondContact O-NZ 2.99Å; F338-I614 HydrophobicContact CE2-CD1 3.95Å; F338-I614 HydrophobicContact CE2-CG1 4.32Å; F338-I614 HydrophobicContact CZ-CD1 4.09Å; F338-I614 HydrophobicContact CZ-CG1 3.95Å
339	Q	91.3	Very high	84.1	Confident	129 Å²	129	44.5 Å²	44.5	60%	0.603	22%	0.22	S	C	*	.			trans	49.2	45.8	-179.2	-57.8	175.7	5.5	0	0	111.2	V334 N335 L605	V334-Q339 PolarHBondContact O-N 2.8Å; N335-Q339 WeakPolarHBondContact O-CA 3.47Å; Q339-L605 HydrophobicContact CB-CD2 4.27Å
340	E	90.4	Very high	83.2	Confident	42 Å²	42	52 Å²	52	20%	0.196	25%	0.251	C	S	.	.			trans	-117.6	158.1	177.7	-85.6	-60.2	155.3	0	0	110.6	M266 V334 N335 F338 K466 L468 K612	M266-E340 HydrophobicContact CE-CG 3.81Å; M266-E340 HydrophobicContact SD-CB 4.31Å; M266-E340 HydrophobicContact SD-CG 3.73Å; V334-E340 HydrophobicContact CG1-CB 3.83Å; V334-E340 PolarHBondContact O-N 3.46Å; N335-E340 VanDerWaalsContact CA-O 3.31Å; N335-E340 WeakPolarHBondContact CA-O 3.43Å; N335-E340 PolarHBondContact OD1-O 3.2Å; F338-E340 PolarHBondContact O-N 3.45Å; E340-K466 IonicContact OE2-NZ 2.87Å; E340-K466 PolarHBondContact OE2-NZ 3.41Å; E340-L468 HydrophobicContact CB-CD1 4.37Å; E340-K612 HydrophobicContact CG-CD 4.49Å; E340-K612 WeakPolarHBondContact OE1-CE 3.2Å; E340-K612 IonicContact OE1-NZ 3.6Å; E340-K612 PolarHBondContact OE1-NZ 2.78Å
341	N	88.3	Confident	82.5	Confident	91 Å²	91	50.6 Å²	50.6	49%	0.487	24%	0.243	S	C	.	.			trans	-136.1	121.9	174	-69.1	-55.2	0	0	0	110.2	N330 N335 K466	N330-N341 WeakPolarHBondContact OD1-CA 3.39Å; N335-N341 PolarHBondContact ND2-OD1 2.92Å; N335-N341 VanDerWaalsContact ND2-OD1 3.14Å; N341-K466 VanDerWaalsContact C-CE 3.48Å; N341-K466 WeakPolarHBondContact O-CE 3.23Å; N341-K466 PolarHBondContact O-NZ 3.23Å
342	I	85.8	Confident	81.9	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.036	28%	0.279	C	S	.	.			trans	-81.1	123.1	170.5	-54.9	178.2	0	0	0	108.6	C327 T328 N330 V334 E344 K466 L468	C327-I342 HydrophobicContact CB-CD1 4.43Å; T328-I342 WeakPolarHBondContact O-CG2 3.33Å; N330-I342 PolarHBondContact ND2-O 3.41Å; N330-I342 PolarHBondContact OD1-N 3.03Å; V334-I342 HydrophobicContact CG1-CG1 4.22Å; I342-E344 HydrophobicContact CG2-CG 4.03Å; I342-K466 HydrophobicContact CB-CG 4.47Å; I342-K466 HydrophobicContact CG1-CG 4.14Å; I342-K466 HydrophobicContact CG2-CG 4.14Å; I342-L468 HydrophobicContact CD1-CD1 3.85Å; I342-L468 HydrophobicContact CD1-CG 4Å; I342-L468 HydrophobicContact CG1-CD1 3.87Å; I342-L468 HydrophobicContact CG1-CG 4.22Å
343	I	80.4	Confident	81.6	Confident	47 Å²	47	58.6 Å²	58.6	24%	0.241	28%	0.278	C	S	.	.			trans	-120.8	131.5	173.9	-55.6	172.4	0	0	0	105.8	N415	I343-N415 HydrophobicContact CB-CB 4.21Å; I343-N415 HydrophobicContact CD1-CB 3.63Å; I343-N415 HydrophobicContact CG2-CB 3.88Å
344	E	80.7	Confident	81.1	Confident	51 Å²	51	58.6 Å²	58.6	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.3	-177.7	-54.1	-166.6	142.8	0	0	108.5	R304 I342 L463 Q464	R304-E344 IonicContact CZ-OE1 3.17Å; R304-E344 VanDerWaalsContact CZ-OE1 3.29Å; R304-E344 IonicContact NE-OE1 2.91Å; R304-E344 PolarHBondContact NE-OE1 3.27Å; R304-E344 IonicContact NH2-OE1 2.68Å; R304-E344 PolarHBondContact NH2-OE1 3.38Å; I342-E344 HydrophobicContact CG2-CG 4.03Å; E344-L463 WeakPolarHBondContact OE2-CD1 3.43Å; E344-Q464 WeakPolarHBondContact CA-O 3.35Å
345	S	77.5	Confident	80.4	Confident	32 Å²	32	59 Å²	59	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.7	176.4	60.4	0	0	0	0	109.1	S347 L463 Q464	S345-S347 PolarHBondContact O-N 3.38Å; S345-L463 CarbonylContact O-C 3.53Å; S345-L463 WeakPolarHBondContact O-CA 3.17Å; S345-Q464 PolarHBondContact N-O 3.38Å; S345-Q464 PolarHBondContact O-N 2.9Å
346	Q	76.2	Confident	79.9	Confident	33 Å²	33	59.4 Å²	59.4	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.4	173.4	-168.9	172.8	-7.3	0	0	109.8	L349 R358 Y451 L463	Q346-L349 VanDerWaalsContact NE2-CD2 3.3Å; Q346-R358 PolarHBondContact O-NH1 2.76Å; Q346-Y451 PolarHBondContact NE2-O 2.9Å; Q346-L463 HydrophobicContact CB-CD2 4.33Å
347	S	71.6	Confident	79.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	26%	0.258	C	S	.	.			trans	-81	-172.7	178.6	-158.7	0	0	0	0	112.4	H273 S345 L349 R358 C462	H273-S347 PolarHBondContact CE1-OG 2.75Å; H273-S347 PolarHBondContact ND1-OG 2.98Å; S345-S347 PolarHBondContact O-N 3.38Å; S347-L349 PolarHBondContact O-N 3.47Å; S347-R358 PolarHBondContact O-NH1 2.91Å; S347-C462 PolarHBondContact N-O 3.46Å
348	Y	66.4	Low	79.2	Confident	101 Å²	101	53.3 Å²	53.3	40%	0.396	26%	0.257	S	S	.	.			trans	-43	132.1	177.4	-59.4	-73	0	0	0	111.7	H273 T311 D355	H273-Y348 AromaticContact CE1-CE2 3.81Å; T311-Y348 HydrophobicContact CG2-CD2 4.01Å; Y348-D355 WeakPolarHBondContact CD1-OD2 3.28Å
349	L	61.5	Low	78.6	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.058	28%	0.281	C	S	.	.			trans	-72.1	144.1	170.7	-58	-179.6	0	0	0	108.7	Q346 S347 D351 C354 D355 R358 Y443 Y451 T452	Q346-L349 VanDerWaalsContact NE2-CD2 3.3Å; S347-L349 PolarHBondContact O-N 3.47Å; L349-D351 PolarHBondContact O-N 3.46Å; L349-C354 HydrophobicContact CB-CB 4.33Å; L349-C354 HydrophobicContact CD1-CB 3.62Å; L349-D355 HydrophobicContact CB-CB 4.17Å; L349-D355 PolarHBondContact N-OD1 2.85Å; L349-R358 HydrophobicContact CD1-CB 4.39Å; L349-Y443 HydrophobicContact CD1-CD2 4.22Å; L349-Y443 HydrophobicContact CD1-CE2 3.97Å; L349-Y451 WeakPolarHBondContact CD2-O 3.33Å; L349-T452 HydrophobicContact CD1-CG2 4.48Å; L349-T452 HydrophobicContact CD2-CG2 4.28Å
350	K	65.1	Low	78.2	Confident	198 Å²	198	56.9 Å²	56.9	86%	0.861	27%	0.27	S	S	*	.	S	Bend	trans	-58.9	-29.2	179.8	-165.1	177.2	-179.4	-178.6	0	111.9	Y451	K350-Y451 HydrophobicContact CB-CD1 4.09Å; K350-Y451 HydrophobicContact CB-CE1 4.25Å
351	D	70.1	Confident	77.8	Confident	38 Å²	38	54.9 Å²	54.9	20%	0.203	26%	0.261	C	S	.	.	S	Bend	trans	-91.4	121.5	176.2	-177.2	-81	0	0	0	111.1	L349 H353 C354 D355 Y451	L349-D351 PolarHBondContact O-N 3.46Å; D351-H353 VanDerWaalsContact C-N 3.3Å; D351-H353 PolarHBondContact O-N 3.16Å; D351-H353 WeakPolarHBondContact OD1-CA 3.36Å; D351-H353 VanDerWaalsContact OD1-CB 3.27Å; D351-H353 WeakPolarHBondContact OD1-CB 3.4Å; D351-H353 PolarHBondContact OD1-N 2.88Å; D351-C354 HydrophobicContact CB-CB 4.06Å; D351-C354 PolarHBondContact O-N 3.12Å; D351-C354 PolarHBondContact OD1-N 2.9Å; D351-C354 PolarHBondContact OD1-SG 3.41Å; D351-D355 PolarHBondContact O-N 2.8Å; D351-Y451 HydrophobicContact CB-CD2 4.1Å; D351-Y451 HydrophobicContact CB-CE2 3.68Å
352	M	75.1	Confident	77.4	Confident	160 Å²	160	53.1 Å²	53.1	79%	0.788	25%	0.25	S	C	*	.	H	α-helix	trans	-61.8	-36	-177.1	-174.4	-178.7	78.6	0	0	112.6	T356	M352-T356 WeakPolarHBondContact O-CB 3.39Å; M352-T356 PolarHBondContact O-N 3.08Å; M352-T356 PolarHBondContact O-OG1 3.31Å
353	H	82.9	Confident	77.1	Confident	59 Å²	59	56.1 Å²	56.1	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-49.8	178.6	166	84.3	0	0	0	109.8	D351 D355 T356 Q357 D442	D351-H353 VanDerWaalsContact C-N 3.3Å; D351-H353 PolarHBondContact O-N 3.16Å; D351-H353 WeakPolarHBondContact OD1-CA 3.36Å; D351-H353 VanDerWaalsContact OD1-CB 3.27Å; D351-H353 WeakPolarHBondContact OD1-CB 3.4Å; D351-H353 PolarHBondContact OD1-N 2.88Å; H353-D355 VanDerWaalsContact C-N 3.31Å; H353-D355 PolarHBondContact O-N 2.87Å; H353-T356 WeakPolarHBondContact O-CB 3.28Å; H353-T356 PolarHBondContact O-N 3.27Å; H353-T356 VanDerWaalsContact O-N 3.1Å; H353-Q357 PolarHBondContact CE1-NE2 2.72Å; H353-Q357 WeakPolarHBondContact O-CG 3.37Å; H353-Q357 PolarHBondContact O-N 3.07Å; H353-D442 IonicContact NE2-OD2 3.81Å
354	C	81.9	Confident	77	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-38.7	177.1	-67.9	0	0	0	0	112.8	L349 D351 T356 Q357 R358 C448	L349-C354 HydrophobicContact CB-CB 4.33Å; L349-C354 HydrophobicContact CD1-CB 3.62Å; D351-C354 HydrophobicContact CB-CB 4.06Å; D351-C354 PolarHBondContact O-N 3.12Å; D351-C354 PolarHBondContact OD1-N 2.9Å; D351-C354 PolarHBondContact OD1-SG 3.41Å; C354-T356 VanDerWaalsContact C-N 3.32Å; C354-T356 PolarHBondContact O-N 2.65Å; C354-Q357 PolarHBondContact O-N 3.16Å; C354-R358 VanDerWaalsContact O-CB 3.31Å; C354-R358 WeakPolarHBondContact O-CB 3.45Å; C354-R358 PolarHBondContact O-N 2.76Å; C354-C448 WeakPolarHBondContact CA-SG 3.44Å; C354-C448 HydrophobicContact CB-CB 3.61Å; C354-C448 WeakPolarHBondContact CB-SG 3.33Å; C354-C448 WeakPolarHBondContact SG-CA 3.32Å; C354-C448 WeakPolarHBondContact SG-CB 3.42Å; C354-C448 CovalentContact SG-SG 2.04Å; C354-C448 PolarHBondContact SG-SG 3.49Å
355	D	76.9	Confident	76.7	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-38.7	175.4	-171.5	59.3	0	0	0	112.1	Y348 L349 D351 H353 R358 R359	Y348-D355 WeakPolarHBondContact CD1-OD2 3.28Å; L349-D355 HydrophobicContact CB-CB 4.17Å; L349-D355 PolarHBondContact N-OD1 2.85Å; D351-D355 PolarHBondContact O-N 2.8Å; H353-D355 VanDerWaalsContact C-N 3.31Å; H353-D355 PolarHBondContact O-N 2.87Å; D355-R358 WeakPolarHBondContact O-CB 3.4Å; D355-R358 PolarHBondContact O-N 3.43Å; D355-R358 IonicContact OD1-CZ 3.34Å; D355-R358 IonicContact OD1-NE 2.76Å; D355-R358 PolarHBondContact OD1-NE 3.09Å; D355-R358 VanDerWaalsContact OD1-NE 3.1Å; D355-R358 IonicContact OD1-NH2 3.09Å; D355-R358 PolarHBondContact OD1-NH2 3.5Å; D355-R359 WeakPolarHBondContact O-CG 3.32Å; D355-R359 PolarHBondContact O-N 2.89Å; D355-R359 IonicContact OD2-CZ 3.39Å; D355-R359 IonicContact OD2-NE 4Å; D355-R359 PolarHBondContact OD2-NE 2.89Å; D355-R359 IonicContact OD2-NH2 3.25Å; D355-R359 PolarHBondContact OD2-NH2 3.05Å
356	T	81.1	Confident	76.4	Confident	65 Å²	65	57.2 Å²	57.2	40%	0.399	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-48.7	175.1	-56.3	0	0	0	0	110.9	M352 H353 C354 R358 R359 I360	M352-T356 WeakPolarHBondContact O-CB 3.39Å; M352-T356 PolarHBondContact O-N 3.08Å; M352-T356 PolarHBondContact O-OG1 3.31Å; H353-T356 WeakPolarHBondContact O-CB 3.28Å; H353-T356 PolarHBondContact O-N 3.27Å; H353-T356 VanDerWaalsContact O-N 3.1Å; C354-T356 VanDerWaalsContact C-N 3.32Å; C354-T356 PolarHBondContact O-N 2.65Å; T356-R358 VanDerWaalsContact C-N 3.32Å; T356-R358 PolarHBondContact O-N 2.75Å; T356-R359 PolarHBondContact O-N 2.9Å; T356-I360 HydrophobicContact CG2-CD1 4.07Å; T356-I360 WeakPolarHBondContact O-CG1 3.38Å; T356-I360 PolarHBondContact O-N 2.69Å; T356-I360 VanDerWaalsContact O-N 3.11Å
357	Q	84.5	Confident	76.1	Confident	27 Å²	27	61.1 Å²	61.1	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178	-61	-49.4	-20.1	0	0	112	H353 C354 R359 I360 C361 S439 D442	H353-Q357 PolarHBondContact CE1-NE2 2.72Å; H353-Q357 WeakPolarHBondContact O-CG 3.37Å; H353-Q357 PolarHBondContact O-N 3.07Å; C354-Q357 PolarHBondContact O-N 3.16Å; Q357-R359 PolarHBondContact O-N 2.93Å; Q357-I360 PolarHBondContact O-N 3.08Å; Q357-C361 VanDerWaalsContact O-CB 3.27Å; Q357-C361 WeakPolarHBondContact O-CB 3.49Å; Q357-C361 PolarHBondContact O-N 3.42Å; Q357-S439 PolarHBondContact OE1-OG 2.84Å; Q357-D442 HydrophobicContact CB-CB 4.34Å; Q357-D442 HydrophobicContact CG-CB 3.9Å
358	R	82.4	Confident	75.9	Confident	18 Å²	18	62.3 Å²	62.3	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-50.9	173.2	179.5	-175.9	72.5	138	4.6	111.8	Q346 S347 L349 C354 D355 T356 I360 C361 Q362 Y443	Q346-R358 PolarHBondContact O-NH1 2.76Å; S347-R358 PolarHBondContact O-NH1 2.91Å; L349-R358 HydrophobicContact CD1-CB 4.39Å; C354-R358 VanDerWaalsContact O-CB 3.31Å; C354-R358 WeakPolarHBondContact O-CB 3.45Å; C354-R358 PolarHBondContact O-N 2.76Å; D355-R358 WeakPolarHBondContact O-CB 3.4Å; D355-R358 PolarHBondContact O-N 3.43Å; D355-R358 IonicContact OD1-CZ 3.34Å; D355-R358 IonicContact OD1-NE 2.76Å; D355-R358 PolarHBondContact OD1-NE 3.09Å; D355-R358 VanDerWaalsContact OD1-NE 3.1Å; D355-R358 IonicContact OD1-NH2 3.09Å; D355-R358 PolarHBondContact OD1-NH2 3.5Å; T356-R358 VanDerWaalsContact C-N 3.32Å; T356-R358 PolarHBondContact O-N 2.75Å; R358-I360 PolarHBondContact O-N 2.89Å; R358-C361 PolarHBondContact O-N 3.25Å; R358-Q362 HydrophobicContact CG-CG 4.25Å; R358-Q362 WeakPolarHBondContact O-CB 3.32Å; R358-Q362 WeakPolarHBondContact O-CG 3.34Å; R358-Q362 PolarHBondContact O-N 2.9Å; R358-Y443 HydrophobicContact CB-CD2 3.55Å; R358-Y443 HydrophobicContact CB-CE2 3.61Å; R358-Y443 HydrophobicContact CB-CG 4.13Å; R358-Y443 HydrophobicContact CG-CD2 4.03Å; R358-Y443 HydrophobicContact CG-CE1 4.3Å; R358-Y443 HydrophobicContact CG-CE2 3.58Å
359	R	80.2	Confident	75.8	Confident	129 Å²	129	57.9 Å²	57.9	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-44.3	-178.1	-70.8	179.1	-157.9	-174.2	9.3	111.5	D355 T356 Q357 T363	D355-R359 WeakPolarHBondContact O-CG 3.32Å; D355-R359 PolarHBondContact O-N 2.89Å; D355-R359 IonicContact OD2-CZ 3.39Å; D355-R359 IonicContact OD2-NE 4Å; D355-R359 PolarHBondContact OD2-NE 2.89Å; D355-R359 IonicContact OD2-NH2 3.25Å; D355-R359 PolarHBondContact OD2-NH2 3.05Å; T356-R359 PolarHBondContact O-N 2.9Å; Q357-R359 PolarHBondContact O-N 2.93Å; R359-T363 WeakPolarHBondContact O-CB 3.28Å; R359-T363 PolarHBondContact O-N 2.85Å; R359-T363 PolarHBondContact O-OG1 2.92Å
360	I	82.9	Confident	75.6	Confident	76 Å²	76	62.2 Å²	62.2	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-48.3	177.7	-63	167.7	0	0	0	109.8	T356 Q357 R358 T363 C364 S439	T356-I360 HydrophobicContact CG2-CD1 4.07Å; T356-I360 WeakPolarHBondContact O-CG1 3.38Å; T356-I360 PolarHBondContact O-N 2.69Å; T356-I360 VanDerWaalsContact O-N 3.11Å; Q357-I360 PolarHBondContact O-N 3.08Å; R358-I360 PolarHBondContact O-N 2.89Å; I360-T363 PolarHBondContact O-N 3.39Å; I360-C364 PolarHBondContact O-N 2.83Å; I360-C364 VanDerWaalsContact O-N 3.09Å; I360-S439 WeakPolarHBondContact CG2-OG 3.15Å
361	C	82.8	Confident	75.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-50	179.6	-178.3	0	0	0	0	112.6	Q357 R358 T363 C364 L365 C440 Y443	Q357-C361 VanDerWaalsContact O-CB 3.27Å; Q357-C361 WeakPolarHBondContact O-CB 3.49Å; Q357-C361 PolarHBondContact O-N 3.42Å; R358-C361 PolarHBondContact O-N 3.25Å; C361-T363 VanDerWaalsContact C-N 3.27Å; C361-T363 PolarHBondContact O-N 2.94Å; C361-C364 WeakPolarHBondContact O-CB 3.38Å; C361-C364 PolarHBondContact O-N 3.47Å; C361-L365 WeakPolarHBondContact O-CG 3.33Å; C361-L365 PolarHBondContact O-N 2.85Å; C361-C440 WeakPolarHBondContact CA-SG 3.24Å; C361-C440 HydrophobicContact CB-CB 3.94Å; C361-C440 WeakPolarHBondContact CB-SG 3.33Å; C361-C440 WeakPolarHBondContact SG-CA 3.35Å; C361-C440 WeakPolarHBondContact SG-CB 3.09Å; C361-C440 CovalentContact SG-SG 2.04Å; C361-C440 PolarHBondContact SG-SG 2.82Å; C361-Y443 HydrophobicContact CB-CD1 4.26Å
362	Q	79.6	Confident	74.2	Confident	54 Å²	54	58.6 Å²	58.6	25%	0.252	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-34.3	178.3	-74.6	-176.6	-22.5	0	0	112.3	R358 K366	R358-Q362 HydrophobicContact CG-CG 4.25Å; R358-Q362 WeakPolarHBondContact O-CB 3.32Å; R358-Q362 WeakPolarHBondContact O-CG 3.34Å; R358-Q362 PolarHBondContact O-N 2.9Å; Q362-K366 WeakPolarHBondContact O-CB 3.49Å; Q362-K366 WeakPolarHBondContact O-CG 3.43Å; Q362-K366 PolarHBondContact O-N 3.3Å
363	T	79.3	Confident	72.8	Confident	70 Å²	70	55.6 Å²	55.6	43%	0.429	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.7	-57.6	0	0	0	0	111.1	R359 I360 C361 K366 Q367	R359-T363 WeakPolarHBondContact O-CB 3.28Å; R359-T363 PolarHBondContact O-N 2.85Å; R359-T363 PolarHBondContact O-OG1 2.92Å; I360-T363 PolarHBondContact O-N 3.39Å; C361-T363 VanDerWaalsContact C-N 3.27Å; C361-T363 PolarHBondContact O-N 2.94Å; T363-K366 PolarHBondContact O-N 2.63Å; T363-Q367 WeakPolarHBondContact O-CG 3.38Å; T363-Q367 PolarHBondContact O-N 2.93Å
364	C	78.2	Confident	71.2	Confident	31 Å²	31	57.2 Å²	57.2	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-52.5	174.1	-169.4	0	0	0	0	111.4	I360 C361 K366 Q367 S368 C434	I360-C364 PolarHBondContact O-N 2.83Å; I360-C364 VanDerWaalsContact O-N 3.09Å; C361-C364 WeakPolarHBondContact O-CB 3.38Å; C361-C364 PolarHBondContact O-N 3.47Å; C364-K366 VanDerWaalsContact C-N 3.26Å; C364-K366 PolarHBondContact O-N 3.2Å; C364-Q367 PolarHBondContact O-N 2.66Å; C364-Q367 VanDerWaalsContact O-N 3.09Å; C364-S368 PolarHBondContact O-N 2.93Å; C364-C434 HydrophobicContact CB-CB 3.92Å; C364-C434 WeakPolarHBondContact CB-SG 3.44Å; C364-C434 PolarHBondContact O-SG 3.47Å; C364-C434 VanDerWaalsContact SG-CA 3.54Å; C364-C434 WeakPolarHBondContact SG-CB 3.26Å; C364-C434 CovalentContact SG-SG 2.06Å; C364-C434 PolarHBondContact SG-SG 2.87Å
365	L	75.8	Confident	69.5	Low	34 Å²	34	63.5 Å²	63.5	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-35.2	-178.8	-68.5	169.7	0	0	0	112.4	C361 S368 C369 C434 Y435	C361-L365 WeakPolarHBondContact O-CG 3.33Å; C361-L365 PolarHBondContact O-N 2.85Å; L365-S368 PolarHBondContact O-OG 2.83Å; L365-C369 PolarHBondContact O-N 3.39Å; L365-C434 HydrophobicContact CD2-CB 3.7Å; L365-C434 HydrophobicContact CG-CB 4.19Å; L365-Y435 HydrophobicContact CD2-CD2 4.21Å; L365-Y435 HydrophobicContact CD2-CE2 3.85Å
366	K	69.2	Low	67.8	Low	88 Å²	88	68 Å²	68	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-68.8	-44.2	174.5	-75	171.9	-178.7	-178.7	0	111.9	Q362 T363 C364 C369 L370	Q362-K366 WeakPolarHBondContact O-CB 3.49Å; Q362-K366 WeakPolarHBondContact O-CG 3.43Å; Q362-K366 PolarHBondContact O-N 3.3Å; T363-K366 PolarHBondContact O-N 2.63Å; C364-K366 VanDerWaalsContact C-N 3.26Å; C364-K366 PolarHBondContact O-N 3.2Å; K366-C369 PolarHBondContact O-N 3.17Å; K366-L370 PolarHBondContact O-N 3.16Å
367	Q	71.1	Confident	65.8	Low	115 Å²	115	70.9 Å²	70.9	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-35.9	-179.4	-74.3	178.3	-5.3	0	0	112.5	T363 C364 L370 K371	T363-Q367 WeakPolarHBondContact O-CG 3.38Å; T363-Q367 PolarHBondContact O-N 2.93Å; C364-Q367 PolarHBondContact O-N 2.66Å; C364-Q367 VanDerWaalsContact O-N 3.09Å; Q367-L370 PolarHBondContact O-N 3.39Å; Q367-K371 PolarHBondContact O-N 2.72Å; Q367-K371 VanDerWaalsContact O-N 3.14Å
368	S	67.3	Low	63.8	Low	25 Å²	25	72.9 Å²	72.9	18%	0.175	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-44.8	174.7	59	0	0	0	0	111.8	C364 L365 L370 K371 S372 C429	C364-S368 PolarHBondContact O-N 2.93Å; L365-S368 PolarHBondContact O-OG 2.83Å; S368-L370 PolarHBondContact O-N 3.47Å; S368-K371 PolarHBondContact O-N 3.48Å; S368-S372 PolarHBondContact O-N 3.15Å; S368-C429 PolarHBondContact OG-O 3.13Å; S368-C429 VanDerWaalsContact OG-O 3.05Å
369	C	63.1	Low	61.9	Low	9 Å²	9	78 Å²	78	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-65.4	-32.2	176.5	-88.1	0	0	0	0	114.2	L365 K366 S372 C429	L365-C369 PolarHBondContact O-N 3.39Å; K366-C369 PolarHBondContact O-N 3.17Å; C369-S372 PolarHBondContact O-OG 2.76Å; C369-C429 VanDerWaalsContact CA-SG 3.51Å; C369-C429 HydrophobicContact CB-CB 4.26Å; C369-C429 WeakPolarHBondContact CB-SG 3.31Å; C369-C429 VanDerWaalsContact SG-CA 3.55Å; C369-C429 WeakPolarHBondContact SG-CB 3.46Å; C369-C429 PolarHBondContact SG-O 3.32Å; C369-C429 CovalentContact SG-SG 2.04Å; C369-C429 PolarHBondContact SG-SG 3.23Å
370	L	58.3	Low	59.9	Low	101 Å²	101	77.7 Å²	77.7	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-73.9	-38.7	178	-88.9	150.9	0	0	0	111.9	K366 Q367 S368 S372 K373 T374	K366-L370 PolarHBondContact O-N 3.16Å; Q367-L370 PolarHBondContact O-N 3.39Å; S368-L370 PolarHBondContact O-N 3.47Å; L370-S372 PolarHBondContact O-N 2.8Å; L370-K373 PolarHBondContact O-N 3.18Å; L370-T374 PolarHBondContact O-N 2.91Å; L370-T374 PolarHBondContact O-OG1 2.76Å
371	K	54.8	Low	57.7	Low	147 Å²	147	78.6 Å²	78.6	64%	0.639	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-43.6	176.8	-75.3	-175.1	178.2	-174.1	0	111.7	Q367 S368 K373 T374 E375	Q367-K371 PolarHBondContact O-N 2.72Å; Q367-K371 VanDerWaalsContact O-N 3.14Å; S368-K371 PolarHBondContact O-N 3.48Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 3.4Å; K371-T374 PolarHBondContact O-N 2.86Å; K371-E375 PolarHBondContact O-N 3.04Å; K371-E375 VanDerWaalsContact O-N 3.13Å
372	S	50.5	Low	55.7	Low	14 Å²	14	84 Å²	84	10%	0.098	43%	0.427	C	S	.	.	H	α-helix	trans	-60.2	-40.8	178.5	80.5	0	0	0	0	112.5	S368 C369 L370 L376 D426	S368-S372 PolarHBondContact O-N 3.15Å; C369-S372 PolarHBondContact O-OG 2.76Å; L370-S372 PolarHBondContact O-N 2.8Å; S372-L376 PolarHBondContact O-N 2.96Å; S372-L376 VanDerWaalsContact O-N 3.14Å; S372-D426 PolarHBondContact OG-OD2 3.11Å; S372-D426 VanDerWaalsContact OG-OD2 3.09Å
373	K	46.2	Very low	54	Low	97 Å²	97	89 Å²	89	42%	0.422	45%	0.448	S	S	.	.	H	α-helix	trans	-69.8	-35.9	176.7	-81.1	-173.3	176.2	178.9	0	114	L370 K371 E375 L376 F377	L370-K373 PolarHBondContact O-N 3.18Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 3.4Å; K373-E375 VanDerWaalsContact C-N 3.31Å; K373-L376 PolarHBondContact O-N 2.94Å; K373-F377 WeakPolarHBondContact O-CD2 3.45Å; K373-F377 PolarHBondContact O-N 2.95Å
374	T	48.4	Very low	52.2	Low	93 Å²	93	92.5 Å²	92.5	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-69.9	-36.2	-177.9	-39	0	0	0	0	110.3	L370 K371 S378	L370-T374 PolarHBondContact O-N 2.91Å; L370-T374 PolarHBondContact O-OG1 2.76Å; K371-T374 PolarHBondContact O-N 2.86Å; T374-S378 WeakPolarHBondContact O-CB 3.33Å; T374-S378 PolarHBondContact O-N 2.9Å
375	E	47.5	Very low	50.2	Low	132 Å²	132	93 Å²	93	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-64	-44.1	171	-71.9	175	179.8	0	0	111	K371 K373 F377 S378 E379	K371-E375 PolarHBondContact O-N 3.04Å; K371-E375 VanDerWaalsContact O-N 3.13Å; K373-E375 VanDerWaalsContact C-N 3.31Å; E375-F377 PolarHBondContact O-N 3.05Å; E375-S378 PolarHBondContact O-N 3.48Å; E375-S378 PolarHBondContact O-OG 3.01Å; E375-E379 PolarHBondContact O-N 2.86Å
376	L	41.6	Very low	48.7	Very low	102 Å²	102	97.5 Å²	97.5	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-41.8	178.3	-146.8	94.5	0	0	0	113.5	S372 K373 S378 E379 M380	S372-L376 PolarHBondContact O-N 2.96Å; S372-L376 VanDerWaalsContact O-N 3.14Å; K373-L376 PolarHBondContact O-N 2.94Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-E379 PolarHBondContact O-N 2.82Å; L376-M380 PolarHBondContact O-N 3.42Å; L376-M380 VanDerWaalsContact O-N 3.08Å
377	F	38.4	Very low	47.4	Very low	127 Å²	127	100.7 Å²	100.7	56%	0.557	50%	0.499	S	S	*	.	H	α-helix	trans	-69.3	-32.8	175.2	-90.9	-78.4	0	0	0	112.1	K373 E375 N381	K373-F377 WeakPolarHBondContact O-CD2 3.45Å; K373-F377 PolarHBondContact O-N 2.95Å; E375-F377 PolarHBondContact O-N 3.05Å; F377-N381 VanDerWaalsContact O-CB 3.26Å; F377-N381 WeakPolarHBondContact O-CB 3.31Å; F377-N381 PolarHBondContact O-N 2.89Å; F377-N381 PolarHBondContact O-ND2 2.82Å
378	S	42	Very low	45.8	Very low	69 Å²	69	100.1 Å²	100.1	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-42.1	174.5	80.2	0	0	0	0	111.2	T374 E375 L376 L382	T374-S378 WeakPolarHBondContact O-CB 3.33Å; T374-S378 PolarHBondContact O-N 2.9Å; E375-S378 PolarHBondContact O-N 3.48Å; E375-S378 PolarHBondContact O-OG 3.01Å; L376-S378 VanDerWaalsContact C-N 3.33Å; S378-L382 VanDerWaalsContact O-CB 3.23Å; S378-L382 WeakPolarHBondContact O-CB 3.46Å; S378-L382 PolarHBondContact O-N 3.18Å
379	E	42.2	Very low	44.2	Very low	125 Å²	125	105.9 Å²	105.9	58%	0.584	53%	0.528	S	S	*	.	H	α-helix	trans	-70.1	-40.1	178.4	-75.2	-167.6	152	0	0	112.9	E375 L376 L382 K383	E375-E379 PolarHBondContact O-N 2.86Å; L376-E379 PolarHBondContact O-N 2.82Å; E379-L382 PolarHBondContact O-N 3.08Å; E379-K383 PolarHBondContact O-N 3.13Å
380	M	39.1	Very low	43.2	Very low	123 Å²	123	113.3 Å²	113.3	61%	0.606	57%	0.566	S	S	*	*	H	α-helix	trans	-68.3	-40.5	177.9	-112.7	-177.9	52.2	0	0	112	L376 K384	L376-M380 PolarHBondContact O-N 3.42Å; L376-M380 VanDerWaalsContact O-N 3.08Å; M380-K384 WeakPolarHBondContact O-CB 3.21Å; M380-K384 PolarHBondContact O-N 3.39Å
381	N	36.3	Very low	41.9	Very low	94 Å²	94	112.1 Å²	112.1	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-73.3	-31.2	175.8	-73.9	-26.8	0	0	0	111.9	F377 K384 A385	F377-N381 VanDerWaalsContact O-CB 3.26Å; F377-N381 WeakPolarHBondContact O-CB 3.31Å; F377-N381 PolarHBondContact O-N 2.89Å; F377-N381 PolarHBondContact O-ND2 2.82Å; N381-K384 PolarHBondContact O-N 2.87Å; N381-A385 WeakPolarHBondContact O-CA 3.36Å; N381-A385 WeakPolarHBondContact O-CB 3.47Å; N381-A385 PolarHBondContact O-N 3.27Å
382	L	40.1	Very low	40.7	Very low	114 Å²	114	112.3 Å²	112.3	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-67.1	-40.2	173.8	-154.3	84.2	0	0	0	111.1	S378 E379 Q386	S378-L382 VanDerWaalsContact O-CB 3.23Å; S378-L382 WeakPolarHBondContact O-CB 3.46Å; S378-L382 PolarHBondContact O-N 3.18Å; E379-L382 PolarHBondContact O-N 3.08Å; L382-Q386 VanDerWaalsContact O-CB 3.31Å; L382-Q386 WeakPolarHBondContact O-CB 3.49Å; L382-Q386 WeakPolarHBondContact O-CG 3.3Å; L382-Q386 PolarHBondContact O-N 3.25Å
383	K	45.6	Very low	39.6	Very low	158 Å²	158	121.4 Å²	121.4	69%	0.687	62%	0.615	S	S	*	*	H	α-helix	trans	-68.7	-37	175	-77.3	-178.1	177.8	172.9	0	112.7	E379 H387	E379-K383 PolarHBondContact O-N 3.13Å; K383-H387 PolarHBondContact O-N 3.1Å; K383-H387 VanDerWaalsContact O-N 3.16Å
384	K	40	Very low	38.8	Very low	145 Å²	145	120.1 Å²	120.1	63%	0.63	63%	0.629	S	S	*	*	H	α-helix	trans	-76.4	-34.1	177.2	-140.9	175.6	-172.3	-178.7	0	112.5	M380 N381 H387 N388	M380-K384 WeakPolarHBondContact O-CB 3.21Å; M380-K384 PolarHBondContact O-N 3.39Å; N381-K384 PolarHBondContact O-N 2.87Å; K384-H387 PolarHBondContact O-N 2.71Å; K384-N388 WeakPolarHBondContact O-CB 3.43Å; K384-N388 PolarHBondContact O-N 3.24Å
385	A	36.7	Very low	37.8	Very low	40 Å²	40	125 Å²	125	33%	0.331	65%	0.645	S	S	.	*	H	α-helix	trans	-69.7	-39.8	172.8	0	0	0	0	0	111	N381 H387 N388 L389	N381-A385 WeakPolarHBondContact O-CA 3.36Å; N381-A385 WeakPolarHBondContact O-CB 3.47Å; N381-A385 PolarHBondContact O-N 3.27Å; A385-H387 PolarHBondContact O-N 2.78Å; A385-N388 PolarHBondContact O-N 3.2Å; A385-L389 HydrophobicContact CB-CD1 4.15Å; A385-L389 WeakPolarHBondContact O-CB 3.38Å; A385-L389 WeakPolarHBondContact O-CD1 3.38Å; A385-L389 VanDerWaalsContact O-CG 3.31Å; A385-L389 WeakPolarHBondContact O-CG 3.5Å; A385-L389 PolarHBondContact O-N 3.04Å
386	Q	43.6	Very low	37	Very low	129 Å²	129	126.7 Å²	126.7	60%	0.603	66%	0.657	S	S	*	*	H	α-helix	trans	-63.6	-31.5	172.3	-82.9	-179.5	-26.7	0	0	112.5	L382	L382-Q386 VanDerWaalsContact O-CB 3.31Å; L382-Q386 WeakPolarHBondContact O-CB 3.49Å; L382-Q386 WeakPolarHBondContact O-CG 3.3Å; L382-Q386 PolarHBondContact O-N 3.25Å
387	H	41.8	Very low	36.3	Very low	155 Å²	155	130.5 Å²	130.5	72%	0.718	67%	0.672	S	S	*	*	H	α-helix	trans	-80.6	-23.3	176.5	-145.9	-60.9	0	0	0	113.8	K383 K384 A385	K383-H387 PolarHBondContact O-N 3.1Å; K383-H387 VanDerWaalsContact O-N 3.16Å; K384-H387 PolarHBondContact O-N 2.71Å; A385-H387 PolarHBondContact O-N 2.78Å
388	N	37.9	Very low	35.8	Very low	103 Å²	103	131.6 Å²	131.6	55%	0.551	68%	0.683	S	S	*	*	H	α-helix	trans	-98.3	-21.9	178.4	-73.6	-6.5	0	0	0	113.7	K384 A385 L390 S391	K384-N388 WeakPolarHBondContact O-CB 3.43Å; K384-N388 PolarHBondContact O-N 3.24Å; A385-N388 PolarHBondContact O-N 3.2Å; N388-L390 PolarHBondContact O-N 3.45Å; N388-S391 CarbonylContact O-C 3.45Å; N388-S391 PolarHBondContact O-N 3.36Å
389	L	35.1	Very low	35.1	Very low	147 Å²	147	136 Å²	136	77%	0.77	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-7.3	177.4	-83.9	158.4	0	0	0	113.6	A385 S391	A385-L389 HydrophobicContact CB-CD1 4.15Å; A385-L389 WeakPolarHBondContact O-CB 3.38Å; A385-L389 WeakPolarHBondContact O-CD1 3.38Å; A385-L389 VanDerWaalsContact O-CG 3.31Å; A385-L389 WeakPolarHBondContact O-CG 3.5Å; A385-L389 PolarHBondContact O-N 3.04Å; L389-S391 VanDerWaalsContact C-N 3.26Å
390	L	40.5	Very low	34.4	Very low	165 Å²	165	137.1 Å²	137.1	86%	0.864	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	3.6	164.1	-81.8	160.8	0	0	0	113.1	N388	N388-L390 PolarHBondContact O-N 3.45Å
391	S	31.7	Very low	34	Very low	75 Å²	75	137.7 Å²	137.7	52%	0.524	71%	0.712	S	S	.	*	S	Bend	trans	-138.3	107.5	177.7	-179.3	0	0	0	0	110.8	N388 L389	N388-S391 CarbonylContact O-C 3.45Å; N388-S391 PolarHBondContact O-N 3.36Å; L389-S391 VanDerWaalsContact C-N 3.26Å
392	N	30.3	Very low	33.6	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	72%	0.724	S	S	*	*			trans	81.5	95.3	163.8	-58.6	-14.1	0	0	0	117.3
393	H	27.5	Very low	33.1	Very low	205 Å²	205	141 Å²	141	95%	0.949	72%	0.723	S	S	*	*			trans	-56.6	126.3	149.7	-82.1	-43.4	0	0	0	110.8
394	G	28	Very low	32.4	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	73%	0.73	S	S	*	*			trans	-178.7	108.1	170.9	0	0	0	0	0	110.1
395	E	28.6	Very low	32	Very low	197 Å²	197	142.9 Å²	142.9	92%	0.921	74%	0.736	S	S	*	*			trans	-53.9	132.5	-177.3	-62.7	163.4	158.8	0	0	112.6
396	I	31.1	Very low	31.6	Very low	167 Å²	167	145.8 Å²	145.8	86%	0.856	75%	0.745	S	S	*	*			trans	-134.4	112.4	161.8	-60.9	-178.5	0	0	0	108.1
397	E	26.5	Very low	30.9	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	75%	0.75	S	S	*	*			trans	-70.7	147.8	177.9	-74.6	180	137.2	0	0	113.1
398	N	27.9	Very low	30.1	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	75%	0.75	S	S	*	*			trans	-37	125.1	168.8	-60.7	-40.6	0	0	0	114.6
399	N	26.8	Very low	29.7	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	74%	0.741	S	S	*	*			trans	-129.3	98.5	152.4	-142.5	-3.9	0	0	0	109.4	D401	N399-D401 PolarHBondContact O-N 3.09Å
400	H	27.8	Very low	29.3	Very low	148 Å²	148	142.6 Å²	142.6	69%	0.685	73%	0.727	S	S	*	*			trans	-79.1	105.3	170.4	-95.9	-69.2	0	0	0	108.2	F402	H400-F402 AromaticContact CE1-CE2 3.96Å; H400-F402 AromaticContact ND1-CD2 3.78Å; H400-F402 AromaticContact ND1-CE2 3.7Å
401	D	29.6	Very low	28.7	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	71%	0.71	S	S	*	*			trans	-137.2	93.2	157.9	-135.3	-5	0	0	0	108.6	N399 N403	N399-D401 PolarHBondContact O-N 3.09Å; D401-N403 PolarHBondContact O-N 3.31Å
402	F	27.8	Very low	28.5	Very low	171 Å²	171	142.7 Å²	142.7	75%	0.75	72%	0.721	S	S	*	*			trans	-75.3	85.5	-179.6	-101.3	-94	0	0	0	108.8	H400	H400-F402 AromaticContact CE1-CE2 3.96Å; H400-F402 AromaticContact ND1-CD2 3.78Å; H400-F402 AromaticContact ND1-CE2 3.7Å
403	N	30.2	Very low	28.3	Very low	107 Å²	107	143.8 Å²	143.8	57%	0.572	71%	0.714	S	S	*	*			trans	-70.7	132.8	177.2	-89.8	-31.1	0	0	0	112.6	D401 E405	D401-N403 PolarHBondContact O-N 3.31Å; N403-E405 PolarHBondContact O-N 3.31Å
404	E	31	Very low	28.6	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	-4.3	175.2	-76.3	-179.4	133.1	0	0	115.5	I406 F407	E404-I406 PolarHBondContact O-N 2.73Å; E404-I406 VanDerWaalsContact O-N 3.15Å; E404-F407 PolarHBondContact O-N 3.21Å
405	E	30.9	Very low	29	Very low	161 Å²	161	135.7 Å²	135.7	75%	0.752	66%	0.663	S	S	*	*	H	α-helix	trans	-61.7	-19.8	175.8	-86.2	-170.7	143.7	0	0	114	N403 F407 G409	N403-E405 PolarHBondContact O-N 3.31Å; E405-F407 VanDerWaalsContact C-N 3.3Å; E405-F407 PolarHBondContact O-N 2.99Å; E405-G409 PolarHBondContact O-N 3.31Å; E405-G409 VanDerWaalsContact O-N 3.15Å
406	I	29.7	Very low	29.1	Very low	101 Å²	101	129.5 Å²	129.5	52%	0.518	64%	0.638	S	S	.	*	H	α-helix	trans	-67.8	-28.7	-179.9	-63.1	178.3	0	0	0	112	E404 N410	E404-I406 PolarHBondContact O-N 2.73Å; E404-I406 VanDerWaalsContact O-N 3.15Å; I406-N410 VanDerWaalsContact CG2-ND2 3.31Å; I406-N410 WeakPolarHBondContact CG2-ND2 3.38Å; I406-N410 WeakPolarHBondContact O-CB 3.49Å; I406-N410 VanDerWaalsContact O-CG 3.28Å; I406-N410 PolarHBondContact O-N 2.82Å; I406-N410 PolarHBondContact O-ND2 2.96Å
407	F	28	Very low	29.4	Very low	161 Å²	161	124.5 Å²	124.5	71%	0.706	61%	0.613	S	S	*	*	H	α-helix	trans	-72.8	-40.9	-174.2	-155.8	-96.1	0	0	0	112.6	E404 E405	E404-F407 PolarHBondContact O-N 3.21Å; E405-F407 VanDerWaalsContact C-N 3.3Å; E405-F407 PolarHBondContact O-N 2.99Å
408	Y	26.3	Very low	29.9	Very low	185 Å²	185	120.2 Å²	120.2	73%	0.725	59%	0.593	S	S	*	*	H	α-helix	trans	-81.4	-32.4	175.7	-74.8	-79.4	0	0	0	112.9	N410 L411	Y408-N410 PolarHBondContact O-N 3.21Å; Y408-L411 PolarHBondContact O-N 3.04Å
409	G	28	Very low	30.4	Very low	36 Å²	36	119.2 Å²	119.2	37%	0.371	58%	0.583	S	S	.	*	H	α-helix	trans	-62.1	-29.9	174.8	0	0	0	0	0	113.4	E405 R413	E405-G409 PolarHBondContact O-N 3.31Å; E405-G409 VanDerWaalsContact O-N 3.15Å; G409-R413 PolarHBondContact O-N 3.35Å
410	N	27.3	Very low	30.7	Very low	86 Å²	86	114.7 Å²	114.7	46%	0.46	56%	0.559	S	S	.	*	H	α-helix	trans	-76.8	-32.8	-179.5	-80.1	-25.3	0	0	0	113.9	I406 Y408 L412 R413 V414	I406-N410 VanDerWaalsContact CG2-ND2 3.31Å; I406-N410 WeakPolarHBondContact CG2-ND2 3.38Å; I406-N410 WeakPolarHBondContact O-CB 3.49Å; I406-N410 VanDerWaalsContact O-CG 3.28Å; I406-N410 PolarHBondContact O-N 2.82Å; I406-N410 PolarHBondContact O-ND2 2.96Å; Y408-N410 PolarHBondContact O-N 3.21Å; N410-L412 VanDerWaalsContact C-N 3.33Å; N410-L412 PolarHBondContact O-N 2.99Å; N410-R413 PolarHBondContact O-N 3.35Å; N410-V414 VanDerWaalsContact O-CG2 3.24Å; N410-V414 WeakPolarHBondContact O-CG2 3.45Å; N410-V414 PolarHBondContact O-N 2.85Å
411	L	27.6	Very low	31.2	Very low	99 Å²	99	109.9 Å²	109.9	52%	0.518	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-37.4	176.3	-108	126	0	0	0	112.3	Y408 V414	Y408-L411 PolarHBondContact O-N 3.04Å; L411-V414 WeakPolarHBondContact O-CB 3.34Å; L411-V414 PolarHBondContact O-N 3.26Å
412	L	27.2	Very low	31.6	Very low	143 Å²	143	114.1 Å²	114.1	75%	0.749	54%	0.544	S	S	*	.	H	α-helix	trans	-73.2	-26.9	176.8	-75.4	162.1	0	0	0	113	N410	N410-L412 VanDerWaalsContact C-N 3.33Å; N410-L412 PolarHBondContact O-N 2.99Å
413	R	27.3	Very low	32.2	Very low	175 Å²	175	113.3 Å²	113.3	66%	0.66	54%	0.542	S	S	*	.	H	α-helix	trans	-79.1	-13.6	172.9	-85.4	-176.2	169.9	-177.7	-1.8	114.1	G409 N410 N415 T416 I417	G409-R413 PolarHBondContact O-N 3.35Å; N410-R413 PolarHBondContact O-N 3.35Å; R413-N415 PolarHBondContact O-N 2.83Å; R413-T416 PolarHBondContact O-N 3.16Å; R413-T416 PolarHBondContact O-OG1 3.31Å; R413-T416 VanDerWaalsContact O-OG1 3.06Å; R413-I417 WeakPolarHBondContact O-CG1 3.45Å
414	V	33.2	Very low	32.5	Very low	53 Å²	53	109.9 Å²	109.9	32%	0.321	53%	0.529	S	S	.	.	H	α-helix	trans	-59.7	-33.6	178.1	-178.1	0	0	0	0	111.9	N410 L411 I417	N410-V414 VanDerWaalsContact O-CG2 3.24Å; N410-V414 WeakPolarHBondContact O-CG2 3.45Å; N410-V414 PolarHBondContact O-N 2.85Å; L411-V414 WeakPolarHBondContact O-CB 3.34Å; L411-V414 PolarHBondContact O-N 3.26Å; V414-I417 PolarHBondContact O-N 2.92Å
415	N	36	Very low	32.9	Very low	50 Å²	50	108.9 Å²	108.9	27%	0.267	53%	0.529	S	S	.	.	H	α-helix	trans	-80.3	-29.1	-173.8	-75.7	-13.7	0	0	0	114.3	I343 R413 I417	I343-N415 HydrophobicContact CB-CB 4.21Å; I343-N415 HydrophobicContact CD1-CB 3.63Å; I343-N415 HydrophobicContact CG2-CB 3.88Å; R413-N415 PolarHBondContact O-N 2.83Å; N415-I417 PolarHBondContact O-N 3.46Å
416	T	31.8	Very low	33.5	Very low	67 Å²	67	103.5 Å²	103.5	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-71.5	-24	171.9	43.2	0	0	0	0	111.3	R413 N420	R413-T416 PolarHBondContact O-N 3.16Å; R413-T416 PolarHBondContact O-OG1 3.31Å; R413-T416 VanDerWaalsContact O-OG1 3.06Å; T416-N420 WeakPolarHBondContact O-CB 3.27Å; T416-N420 PolarHBondContact O-N 3.15Å; T416-N420 PolarHBondContact O-ND2 2.88Å
417	I	36	Very low	34.5	Very low	63 Å²	63	104 Å²	104	32%	0.323	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-40.6	179.4	-64.9	168.8	0	0	0	111.4	R413 V414 N415 Q419 N420 I421	R413-I417 WeakPolarHBondContact O-CG1 3.45Å; V414-I417 PolarHBondContact O-N 2.92Å; N415-I417 PolarHBondContact O-N 3.46Å; I417-Q419 PolarHBondContact O-N 3.34Å; I417-N420 CarbonylContact O-C 3.55Å; I417-N420 PolarHBondContact O-N 3.19Å; I417-I421 HydrophobicContact CG2-CD1 3.67Å; I417-I421 HydrophobicContact CG2-CG1 4.01Å; I417-I421 WeakPolarHBondContact O-CB 3.39Å; I417-I421 WeakPolarHBondContact O-CD1 3.46Å; I417-I421 WeakPolarHBondContact O-CG1 3.31Å; I417-I421 PolarHBondContact O-N 3.19Å
418	E	36.9	Very low	35.4	Very low	91 Å²	91	101.9 Å²	101.9	43%	0.425	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-42.1	178.1	-80.2	-171	163.7	0	0	113.1	I421 W422	E418-I421 PolarHBondContact O-N 3.38Å; E418-W422 VanDerWaalsContact O-CD1 3.25Å
419	Q	38.1	Very low	36.6	Very low	130 Å²	130	93.4 Å²	93.4	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-70.8	-36.1	174.1	-76	-172.9	-23.3	0	0	112.3	I417 I421 W422 Q423	I417-Q419 PolarHBondContact O-N 3.34Å; Q419-I421 VanDerWaalsContact C-N 3.31Å; Q419-I421 PolarHBondContact O-N 3.11Å; Q419-W422 PolarHBondContact O-N 2.88Å; Q419-Q423 PolarHBondContact O-N 3.36Å
420	N	34.5	Very low	37.8	Very low	65 Å²	65	94.3 Å²	94.3	35%	0.348	48%	0.479	S	S	.	.	H	α-helix	trans	-71.4	-24	175.8	-70	-25.1	0	0	0	112.7	T416 I417 W422 Q423 A424	T416-N420 WeakPolarHBondContact O-CB 3.27Å; T416-N420 PolarHBondContact O-N 3.15Å; T416-N420 PolarHBondContact O-ND2 2.88Å; I417-N420 CarbonylContact O-C 3.55Å; I417-N420 PolarHBondContact O-N 3.19Å; N420-W422 VanDerWaalsContact C-N 3.26Å; N420-W422 PolarHBondContact O-N 3.36Å; N420-Q423 PolarHBondContact O-N 3.49Å; N420-A424 WeakPolarHBondContact O-CB 3.21Å; N420-A424 PolarHBondContact O-N 2.74Å
421	I	37.8	Very low	39.2	Very low	47 Å²	47	91.4 Å²	91.4	24%	0.241	47%	0.469	C	S	.	.	H	α-helix	trans	-64.4	-34.9	173.9	-77.4	162.6	0	0	0	110.3	I417 E418 Q419	I417-I421 HydrophobicContact CG2-CD1 3.67Å; I417-I421 HydrophobicContact CG2-CG1 4.01Å; I417-I421 WeakPolarHBondContact O-CB 3.39Å; I417-I421 WeakPolarHBondContact O-CD1 3.46Å; I417-I421 WeakPolarHBondContact O-CG1 3.31Å; I417-I421 PolarHBondContact O-N 3.19Å; E418-I421 PolarHBondContact O-N 3.38Å; Q419-I421 VanDerWaalsContact C-N 3.31Å; Q419-I421 PolarHBondContact O-N 3.11Å
422	W	38.1	Very low	40.7	Very low	226 Å²	226	93.7 Å²	93.7	86%	0.856	48%	0.481	S	S	*	.	H	α-helix	trans	-80.3	-26.6	176.2	-69.3	98.1	0	0	0	113.5	E418 Q419 N420	E418-W422 VanDerWaalsContact O-CD1 3.25Å; Q419-W422 PolarHBondContact O-N 2.88Å; N420-W422 VanDerWaalsContact C-N 3.26Å; N420-W422 PolarHBondContact O-N 3.36Å
423	Q	39.6	Very low	42.6	Very low	153 Å²	153	95.7 Å²	95.7	72%	0.715	48%	0.483	S	S	*	.	H	α-helix	trans	-89.5	-22.9	177.1	-72.2	-172.3	-9.3	0	0	113.7	Q419 N420 N425	Q419-Q423 PolarHBondContact O-N 3.36Å; N420-Q423 PolarHBondContact O-N 3.49Å; Q423-N425 VanDerWaalsContact C-N 3.3Å; Q423-N425 PolarHBondContact O-N 3.15Å
424	A	37.8	Very low	44.9	Very low	35 Å²	35	87.7 Å²	87.7	29%	0.289	45%	0.454	S	S	.	.			trans	-71.2	93.1	170	0	0	0	0	0	107.3	N420 D426	N420-A424 WeakPolarHBondContact O-CB 3.21Å; N420-A424 PolarHBondContact O-N 2.74Å; A424-D426 HydrophobicContact CB-CB 4.22Å; A424-D426 PolarHBondContact O-N 3.29Å
425	N	39	Very low	46.9	Very low	159 Å²	159	89.8 Å²	89.8	85%	0.85	46%	0.457	S	S	*	.			trans	-64.2	36	158.5	-74.3	-24.4	0	0	0	111.3	Q423 P427	Q423-N425 VanDerWaalsContact C-N 3.3Å; Q423-N425 PolarHBondContact O-N 3.15Å; N425-P427 WeakPolarHBondContact O-CD 3.47Å
426	D	43.8	Very low	48.9	Very low	49 Å²	49	91 Å²	91	26%	0.262	47%	0.469	S	S	.	.			trans	-94.4	96.8	174.2	-171.4	3	0	0	0	106.4	S372 A424 D428 C429	S372-D426 PolarHBondContact OG-OD2 3.11Å; S372-D426 VanDerWaalsContact OG-OD2 3.09Å; A424-D426 HydrophobicContact CB-CB 4.22Å; A424-D426 PolarHBondContact O-N 3.29Å; D426-D428 PolarHBondContact O-N 2.93Å; D426-C429 HydrophobicContact CB-CB 4.45Å; D426-C429 PolarHBondContact O-N 3.11Å; D426-C429 VanDerWaalsContact O-N 3.09Å
427	P	49.4	Very low	51.3	Low	111 Å²	111	90.2 Å²	90.2	72%	0.721	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.2	-174.4	22.7	-32.5	0	0	0	112.8	N425	N425-P427 WeakPolarHBondContact O-CD 3.47Å
428	D	48.2	Very low	53.6	Low	117 Å²	117	91.6 Å²	91.6	63%	0.626	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.6	-178.8	-69.9	-25	0	0	0	114.3	D426 C430 G431	D426-D428 PolarHBondContact O-N 2.93Å; D428-C430 PolarHBondContact O-N 3Å; D428-G431 PolarHBondContact O-N 2.95Å
429	C	51.4	Low	55.9	Low	7 Å²	7	88 Å²	88	5%	0.047	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.3	-179.9	-160.6	0	0	0	0	111.2	S368 C369 D426	S368-C429 PolarHBondContact OG-O 3.13Å; S368-C429 VanDerWaalsContact OG-O 3.05Å; C369-C429 VanDerWaalsContact CA-SG 3.51Å; C369-C429 HydrophobicContact CB-CB 4.26Å; C369-C429 WeakPolarHBondContact CB-SG 3.31Å; C369-C429 VanDerWaalsContact SG-CA 3.55Å; C369-C429 WeakPolarHBondContact SG-CB 3.46Å; C369-C429 PolarHBondContact SG-O 3.32Å; C369-C429 CovalentContact SG-SG 2.04Å; C369-C429 PolarHBondContact SG-SG 3.23Å; D426-C429 HydrophobicContact CB-CB 4.45Å; D426-C429 PolarHBondContact O-N 3.11Å; D426-C429 VanDerWaalsContact O-N 3.09Å
430	C	53.6	Low	58.1	Low	55 Å²	55	81.8 Å²	81.8	37%	0.372	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	39	-177.3	-68	0	0	0	0	113.6	D428 I432	D428-C430 PolarHBondContact O-N 3Å; C430-I432 PolarHBondContact O-N 2.86Å; C430-I432 VanDerWaalsContact O-N 3.13Å
431	G	54.8	Low	60.5	Low	24 Å²	24	83.6 Å²	83.6	25%	0.247	44%	0.441	C	S	.	.			trans	-42.8	119	-175.6	0	0	0	0	0	113.9	D428 K433 C434	D428-G431 PolarHBondContact O-N 2.95Å; G431-K433 PolarHBondContact O-N 2.95Å; G431-C434 PolarHBondContact O-N 3.47Å
432	I	59.1	Low	62.8	Low	147 Å²	147	85 Å²	85	75%	0.754	45%	0.448	S	S	*	.	H	α-helix	trans	-45	-29	177.5	-63.8	166.5	0	0	0	112.1	C430 C434 Y435 S436	C430-I432 PolarHBondContact O-N 2.86Å; C430-I432 VanDerWaalsContact O-N 3.13Å; I432-C434 VanDerWaalsContact C-N 3.34Å; I432-C434 PolarHBondContact O-N 3.43Å; I432-Y435 PolarHBondContact O-N 3.07Å; I432-Y435 VanDerWaalsContact O-N 3.12Å; I432-S436 PolarHBondContact O-N 3.31Å; I432-S436 VanDerWaalsContact O-N 3.13Å
433	K	68.4	Low	64.9	Low	185 Å²	185	75.2 Å²	75.2	80%	0.804	41%	0.412	S	S	*	.	H	α-helix	trans	-54.7	-40.7	176.2	-70.7	-176	178.9	176.7	0	114	G431 S436	G431-K433 PolarHBondContact O-N 2.95Å; K433-S436 WeakPolarHBondContact CA-OG 3.48Å; K433-S436 PolarHBondContact O-N 2.81Å; K433-S436 PolarHBondContact O-OG 2.88Å
434	C	74.9	Confident	66.8	Low	8 Å²	8	70.4 Å²	70.4	5%	0.054	39%	0.388	C	S	.	.	H	α-helix	trans	-70	-38.2	177.7	-76.8	0	0	0	0	111.3	C364 L365 G431 I432 S436 N437 C440	C364-C434 HydrophobicContact CB-CB 3.92Å; C364-C434 WeakPolarHBondContact CB-SG 3.44Å; C364-C434 PolarHBondContact O-SG 3.47Å; C364-C434 VanDerWaalsContact SG-CA 3.54Å; C364-C434 WeakPolarHBondContact SG-CB 3.26Å; C364-C434 CovalentContact SG-SG 2.06Å; C364-C434 PolarHBondContact SG-SG 2.87Å; L365-C434 HydrophobicContact CD2-CB 3.7Å; L365-C434 HydrophobicContact CG-CB 4.19Å; G431-C434 PolarHBondContact O-N 3.47Å; I432-C434 VanDerWaalsContact C-N 3.34Å; I432-C434 PolarHBondContact O-N 3.43Å; C434-S436 PolarHBondContact O-N 2.66Å; C434-N437 WeakPolarHBondContact O-CB 3.44Å; C434-N437 PolarHBondContact O-N 3.32Å; C434-C440 VanDerWaalsContact O-CB 3.22Å; C434-C440 WeakPolarHBondContact O-CB 3.05Å; C434-C440 PolarHBondContact O-SG 2.84Å
435	Y	74.7	Confident	68.9	Low	97 Å²	97	69.9 Å²	69.9	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-63.2	-29.7	176.4	-78.3	-80.7	0	0	0	113	L365 I432 N437 L441 F444	L365-Y435 HydrophobicContact CD2-CD2 4.21Å; L365-Y435 HydrophobicContact CD2-CE2 3.85Å; I432-Y435 PolarHBondContact O-N 3.07Å; I432-Y435 VanDerWaalsContact O-N 3.12Å; Y435-N437 VanDerWaalsContact C-N 3.3Å; Y435-N437 PolarHBondContact O-N 2.03Å; Y435-L441 WeakPolarHBondContact O-CD2 3.49Å; Y435-F444 AromaticContact CD1-CD2 3.9Å; Y435-F444 HydrophobicContact CD1-CD2 3.9Å; Y435-F444 AromaticContact CD1-CE2 3.58Å; Y435-F444 HydrophobicContact CD1-CE2 3.58Å; Y435-F444 HydrophobicContact CD1-CZ 4.47Å; Y435-F444 AromaticContact CE1-CD2 3.98Å; Y435-F444 HydrophobicContact CE1-CD2 3.98Å; Y435-F444 AromaticContact CE1-CE2 3.35Å; Y435-F444 HydrophobicContact CE1-CE2 3.35Å; Y435-F444 AromaticContact CE1-CZ 3.8Å; Y435-F444 HydrophobicContact CE1-CZ 3.8Å
436	S	78.5	Confident	70.9	Confident	75 Å²	75	66.9 Å²	66.9	52%	0.524	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.7	173.8	58.2	0	0	0	0	115	I432 K433 C434	I432-S436 PolarHBondContact O-N 3.31Å; I432-S436 VanDerWaalsContact O-N 3.13Å; K433-S436 WeakPolarHBondContact CA-OG 3.48Å; K433-S436 PolarHBondContact O-N 2.81Å; K433-S436 PolarHBondContact O-OG 2.88Å; C434-S436 PolarHBondContact O-N 2.66Å
437	N	82.7	Confident	72.5	Confident	51 Å²	51	71.7 Å²	71.7	27%	0.273	39%	0.393	S	S	.	.	S	Bend	trans	-65.9	133	175.8	-176.2	-37.1	0	0	0	109.5	C434 Y435 S439 C440 L441	C434-N437 WeakPolarHBondContact O-CB 3.44Å; C434-N437 PolarHBondContact O-N 3.32Å; Y435-N437 VanDerWaalsContact C-N 3.3Å; Y435-N437 PolarHBondContact O-N 2.03Å; N437-S439 PolarHBondContact O-N 3.05Å; N437-S439 VanDerWaalsContact O-N 3.08Å; N437-S439 PolarHBondContact OD1-N 2.62Å; N437-C440 HydrophobicContact CB-CB 4.45Å; N437-C440 WeakPolarHBondContact O-CA 3Å; N437-C440 PolarHBondContact O-N 2.77Å; N437-L441 PolarHBondContact O-N 3.36Å
438	P	84.8	Confident	73.9	Confident	91 Å²	91	66.5 Å²	66.5	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-47.3	-38.8	176.3	-30	35	0	0	0	114	C440 L441 D442	P438-C440 PolarHBondContact O-N 3.35Å; P438-L441 PolarHBondContact O-N 3.2Å; P438-D442 WeakPolarHBondContact O-CB 3.34Å; P438-D442 PolarHBondContact O-N 3.42Å
439	S	85.4	Confident	75.2	Confident	15 Å²	15	64.1 Å²	64.1	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-37.4	176.7	-65.9	0	0	0	0	113.6	Q357 I360 N437 Y443	Q357-S439 PolarHBondContact OE1-OG 2.84Å; I360-S439 WeakPolarHBondContact CG2-OG 3.15Å; N437-S439 PolarHBondContact O-N 3.05Å; N437-S439 VanDerWaalsContact O-N 3.08Å; N437-S439 PolarHBondContact OD1-N 2.62Å; S439-Y443 VanDerWaalsContact O-CB 3.27Å; S439-Y443 WeakPolarHBondContact O-CB 2.98Å; S439-Y443 PolarHBondContact O-N 3.12Å
440	C	84.1	Confident	76.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-71.9	-39.1	173.7	-76.7	0	0	0	0	111.5	C361 C434 N437 P438 D442 Y443 F444	C361-C440 WeakPolarHBondContact CA-SG 3.24Å; C361-C440 HydrophobicContact CB-CB 3.94Å; C361-C440 WeakPolarHBondContact CB-SG 3.33Å; C361-C440 WeakPolarHBondContact SG-CA 3.35Å; C361-C440 WeakPolarHBondContact SG-CB 3.09Å; C361-C440 CovalentContact SG-SG 2.04Å; C361-C440 PolarHBondContact SG-SG 2.82Å; C434-C440 VanDerWaalsContact O-CB 3.22Å; C434-C440 WeakPolarHBondContact O-CB 3.05Å; C434-C440 PolarHBondContact O-SG 2.84Å; N437-C440 HydrophobicContact CB-CB 4.45Å; N437-C440 WeakPolarHBondContact O-CA 3Å; N437-C440 PolarHBondContact O-N 2.77Å; P438-C440 PolarHBondContact O-N 3.35Å; C440-D442 VanDerWaalsContact C-N 3.35Å; C440-Y443 PolarHBondContact O-N 2.91Å; C440-F444 HydrophobicContact CB-CD2 4.18Å; C440-F444 HydrophobicContact CB-CE2 4.19Å; C440-F444 WeakPolarHBondContact O-CB 3.49Å; C440-F444 WeakPolarHBondContact O-CD2 3.4Å; C440-F444 WeakPolarHBondContact O-CG 3.42Å; C440-F444 PolarHBondContact O-N 3.12Å
441	L	84.3	Confident	76.7	Confident	104 Å²	104	68.1 Å²	68.1	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-42.3	175.2	-67.6	174.2	0	0	0	111.7	Y435 N437 P438 F444 G445	Y435-L441 WeakPolarHBondContact O-CD2 3.49Å; N437-L441 PolarHBondContact O-N 3.36Å; P438-L441 PolarHBondContact O-N 3.2Å; L441-F444 CarbonylContact O-C 3.58Å; L441-G445 VanDerWaalsContact O-CA 3.3Å; L441-G445 WeakPolarHBondContact O-CA 3.29Å; L441-G445 PolarHBondContact O-N 3.39Å
442	D	85.1	Confident	77.3	Confident	75 Å²	75	67.1 Å²	67.1	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-45.1	175.5	-82.2	-9.3	0	0	0	111.7	H353 Q357 P438 C440 F444 G445 C448	H353-D442 IonicContact NE2-OD2 3.81Å; Q357-D442 HydrophobicContact CB-CB 4.34Å; Q357-D442 HydrophobicContact CG-CB 3.9Å; P438-D442 WeakPolarHBondContact O-CB 3.34Å; P438-D442 PolarHBondContact O-N 3.42Å; C440-D442 VanDerWaalsContact C-N 3.35Å; D442-F444 PolarHBondContact O-N 3.29Å; D442-G445 PolarHBondContact O-N 3.06Å; D442-G445 VanDerWaalsContact O-N 3.1Å; D442-C448 WeakPolarHBondContact O-CB 3.34Å; D442-C448 PolarHBondContact O-SG 3.05Å
443	Y	83.1	Confident	77.6	Confident	21 Å²	21	62.7 Å²	62.7	8%	0.082	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-42.4	178.7	171.6	-122	0	0	0	112.5	L349 R358 C361 S439 C440 G445 C448 T452	L349-Y443 HydrophobicContact CD1-CD2 4.22Å; L349-Y443 HydrophobicContact CD1-CE2 3.97Å; R358-Y443 HydrophobicContact CB-CD2 3.55Å; R358-Y443 HydrophobicContact CB-CE2 3.61Å; R358-Y443 HydrophobicContact CB-CG 4.13Å; R358-Y443 HydrophobicContact CG-CD2 4.03Å; R358-Y443 HydrophobicContact CG-CE1 4.3Å; R358-Y443 HydrophobicContact CG-CE2 3.58Å; C361-Y443 HydrophobicContact CB-CD1 4.26Å; S439-Y443 VanDerWaalsContact O-CB 3.27Å; S439-Y443 WeakPolarHBondContact O-CB 2.98Å; S439-Y443 PolarHBondContact O-N 3.12Å; C440-Y443 PolarHBondContact O-N 2.91Å; Y443-G445 VanDerWaalsContact C-N 3.29Å; Y443-C448 WeakPolarHBondContact O-CB 3.44Å; Y443-T452 HydrophobicContact CE2-CG2 3.7Å
444	F	80.5	Confident	77.4	Confident	52 Å²	52	60.7 Å²	60.7	23%	0.228	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.4	175.3	-62.6	-53.5	0	0	0	113.3	Y435 C440 L441 D442	Y435-F444 AromaticContact CD1-CD2 3.9Å; Y435-F444 HydrophobicContact CD1-CD2 3.9Å; Y435-F444 AromaticContact CD1-CE2 3.58Å; Y435-F444 HydrophobicContact CD1-CE2 3.58Å; Y435-F444 HydrophobicContact CD1-CZ 4.47Å; Y435-F444 AromaticContact CE1-CD2 3.98Å; Y435-F444 HydrophobicContact CE1-CD2 3.98Å; Y435-F444 AromaticContact CE1-CE2 3.35Å; Y435-F444 HydrophobicContact CE1-CE2 3.35Å; Y435-F444 AromaticContact CE1-CZ 3.8Å; Y435-F444 HydrophobicContact CE1-CZ 3.8Å; C440-F444 HydrophobicContact CB-CD2 4.18Å; C440-F444 HydrophobicContact CB-CE2 4.19Å; C440-F444 WeakPolarHBondContact O-CB 3.49Å; C440-F444 WeakPolarHBondContact O-CD2 3.4Å; C440-F444 WeakPolarHBondContact O-CG 3.42Å; C440-F444 PolarHBondContact O-N 3.12Å; L441-F444 CarbonylContact O-C 3.58Å; D442-F444 PolarHBondContact O-N 3.29Å
445	G	81.8	Confident	77	Confident	24 Å²	24	62.6 Å²	62.6	25%	0.247	32%	0.324	C	S	.	.	S	Bend	trans	-77.2	159	177.5	0	0	0	0	0	111.8	L441 D442 Y443 R447 C448 E449	L441-G445 VanDerWaalsContact O-CA 3.3Å; L441-G445 WeakPolarHBondContact O-CA 3.29Å; L441-G445 PolarHBondContact O-N 3.39Å; D442-G445 PolarHBondContact O-N 3.06Å; D442-G445 VanDerWaalsContact O-N 3.1Å; Y443-G445 VanDerWaalsContact C-N 3.29Å; G445-R447 PolarHBondContact O-N 3.19Å; G445-C448 PolarHBondContact O-N 3.48Å; G445-E449 VanDerWaalsContact O-CB 3.32Å; G445-E449 WeakPolarHBondContact O-CB 3.45Å; G445-E449 PolarHBondContact O-N 3.47Å
446	S	79.1	Confident	76.6	Confident	97 Å²	97	61.5 Å²	61.5	68%	0.678	33%	0.331	S	S	*	.	H	α-helix	trans	-53.4	-32.5	-175.4	58.6	0	0	0	0	113.9	T450	S446-T450 WeakPolarHBondContact O-CG2 3.36Å
447	R	79	Confident	76	Confident	150 Å²	150	63.7 Å²	63.7	57%	0.566	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-43	177.7	-179.1	-179	176.4	-178.4	0.4	113	G445 T450	G445-R447 PolarHBondContact O-N 3.19Å; R447-T450 PolarHBondContact O-OG1 3Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å
448	C	78.1	Confident	75.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-95.5	-28	-176.3	-66.4	0	0	0	0	112.3	C354 D442 Y443 G445 T450 Y451	C354-C448 WeakPolarHBondContact CA-SG 3.44Å; C354-C448 HydrophobicContact CB-CB 3.61Å; C354-C448 WeakPolarHBondContact CB-SG 3.33Å; C354-C448 WeakPolarHBondContact SG-CA 3.32Å; C354-C448 WeakPolarHBondContact SG-CB 3.42Å; C354-C448 CovalentContact SG-SG 2.04Å; C354-C448 PolarHBondContact SG-SG 3.49Å; D442-C448 WeakPolarHBondContact O-CB 3.34Å; D442-C448 PolarHBondContact O-SG 3.05Å; Y443-C448 WeakPolarHBondContact O-CB 3.44Å; G445-C448 PolarHBondContact O-N 3.48Å; C448-T450 PolarHBondContact O-N 3.39Å; C448-Y451 PolarHBondContact O-N 2.9Å
449	E	75.1	Confident	74.8	Confident	67 Å²	67	62.6 Å²	62.6	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-53.1	-39.2	176.4	-168.1	-178.1	-169.7	0	0	111.6	G445 Y451 T452 R454 H455	G445-E449 VanDerWaalsContact O-CB 3.32Å; G445-E449 WeakPolarHBondContact O-CB 3.45Å; G445-E449 PolarHBondContact O-N 3.47Å; E449-Y451 PolarHBondContact O-N 3.49Å; E449-T452 WeakPolarHBondContact O-CA 3.43Å; E449-T452 WeakPolarHBondContact O-CB 3.49Å; E449-T452 PolarHBondContact O-N 3.11Å; E449-T452 PolarHBondContact O-OG1 3Å; E449-R454 HydrophobicContact CG-CB 4.27Å; E449-H455 HydrophobicContact CG-CB 4.28Å; E449-H455 VanDerWaalsContact O-CB 3.24Å; E449-H455 WeakPolarHBondContact O-CB 3.44Å
450	T	70.3	Confident	74.4	Confident	59 Å²	59	66.6 Å²	66.6	36%	0.362	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.3	178.4	51.7	0	0	0	0	114.5	S446 R447 C448	S446-T450 WeakPolarHBondContact O-CG2 3.36Å; R447-T450 PolarHBondContact O-OG1 3Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å; C448-T450 PolarHBondContact O-N 3.39Å
451	Y	66.2	Low	74.2	Confident	87 Å²	87	67.1 Å²	67.1	34%	0.341	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.2	177.9	-56.7	-72.9	0	0	0	113.1	Q346 L349 K350 D351 C448 E449	Q346-Y451 PolarHBondContact NE2-O 2.9Å; L349-Y451 WeakPolarHBondContact CD2-O 3.33Å; K350-Y451 HydrophobicContact CB-CD1 4.09Å; K350-Y451 HydrophobicContact CB-CE1 4.25Å; D351-Y451 HydrophobicContact CB-CD2 4.1Å; D351-Y451 HydrophobicContact CB-CE2 3.68Å; C448-Y451 PolarHBondContact O-N 2.9Å; E449-Y451 PolarHBondContact O-N 3.49Å
452	T	67.6	Low	74.1	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.018	33%	0.329	C	S	.	.	S	Bend	trans	-94.8	160.4	-177.1	71.4	0	0	0	0	112.3	L349 Y443 E449 R454 H455	L349-T452 HydrophobicContact CD1-CG2 4.48Å; L349-T452 HydrophobicContact CD2-CG2 4.28Å; Y443-T452 HydrophobicContact CE2-CG2 3.7Å; E449-T452 WeakPolarHBondContact O-CA 3.43Å; E449-T452 WeakPolarHBondContact O-CB 3.49Å; E449-T452 PolarHBondContact O-N 3.11Å; E449-T452 PolarHBondContact O-OG1 3Å; T452-R454 PolarHBondContact O-N 3.18Å; T452-R454 VanDerWaalsContact O-N 3.08Å; T452-R454 WeakPolarHBondContact OG1-CB 3.47Å; T452-R454 PolarHBondContact OG1-N 2.74Å; T452-H455 PolarHBondContact O-N 3.32Å
453	S	65.5	Low	74.1	Confident	55 Å²	55	59.9 Å²	59.9	39%	0.385	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.5	169.7	59.1	0	0	0	0	114.2	Y302	Y302-S453 PolarHBondContact OH-O 3.22Å
454	R	64	Low	74.2	Confident	143 Å²	143	61.1 Å²	61.1	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.7	179.8	-60.1	-175.8	178.5	-170.9	1.4	113.1	E449 T452 S456	E449-R454 HydrophobicContact CG-CB 4.27Å; T452-R454 PolarHBondContact O-N 3.18Å; T452-R454 VanDerWaalsContact O-N 3.08Å; T452-R454 WeakPolarHBondContact OG1-CB 3.47Å; T452-R454 PolarHBondContact OG1-N 2.74Å; R454-S456 PolarHBondContact O-N 2.89Å
455	H	67.1	Low	74.5	Confident	47 Å²	47	58.9 Å²	58.9	22%	0.218	31%	0.312	C	S	.	.			trans	-75.4	124.6	-179	-167.7	65.5	0	0	0	111.7	E449 T452 N457 A458	E449-H455 HydrophobicContact CG-CB 4.28Å; E449-H455 VanDerWaalsContact O-CB 3.24Å; E449-H455 WeakPolarHBondContact O-CB 3.44Å; T452-H455 PolarHBondContact O-N 3.32Å; H455-N457 PolarHBondContact O-N 3.07Å; H455-N457 VanDerWaalsContact O-N 3.13Å; H455-A458 HydrophobicContact CB-CB 4.21Å; H455-A458 WeakPolarHBondContact O-CB 3.43Å; H455-A458 PolarHBondContact O-N 3.17Å; H455-A458 VanDerWaalsContact O-N 3.09Å
456	S	65.4	Low	74.9	Confident	75 Å²	75	59.5 Å²	59.5	52%	0.524	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.4	-176.9	52.9	0	0	0	0	113.9	R278 R454	R278-S456 PolarHBondContact NH1-O 3.42Å; R454-S456 PolarHBondContact O-N 2.89Å
457	N	67.6	Low	75.6	Confident	121 Å²	121	54.9 Å²	54.9	65%	0.647	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.6	-178.8	-62	-22	0	0	0	114.2	H455 T459	H455-N457 PolarHBondContact O-N 3.07Å; H455-N457 VanDerWaalsContact O-N 3.13Å; N457-T459 PolarHBondContact O-N 3.12Å
458	A	67.5	Low	76.3	Confident	10 Å²	10	47.7 Å²	47.7	8%	0.083	25%	0.248	C	C	.	.			trans	-71.5	95.4	177.6	0	0	0	0	0	110.2	R278 H455 I461	R278-A458 WeakPolarHBondContact CD-O 3.48Å; H455-A458 HydrophobicContact CB-CB 4.21Å; H455-A458 WeakPolarHBondContact O-CB 3.43Å; H455-A458 PolarHBondContact O-N 3.17Å; H455-A458 VanDerWaalsContact O-N 3.09Å; A458-I461 HydrophobicContact CB-CG2 4.1Å
459	T	73.6	Confident	77.2	Confident	108 Å²	108	48.9 Å²	48.9	66%	0.663	25%	0.253	S	S	*	.			trans	-74.2	-30.4	-179.8	54.1	0	0	0	0	112.8	R278 N457	R278-T459 PolarHBondContact N-O 3.07Å; N457-T459 PolarHBondContact O-N 3.12Å
460	E	77.1	Confident	78.2	Confident	99 Å²	99	45.7 Å²	45.7	46%	0.463	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.1	-178.2	-173.8	169.1	-136.5	0	0	110	T275 A276	T275-E460 VanDerWaalsContact CB-OE1 3.22Å; T275-E460 WeakPolarHBondContact CB-OE1 3.49Å; T275-E460 HydrophobicContact CG2-CG 4.24Å; T275-E460 WeakPolarHBondContact CG2-OE1 3.1Å; A276-E460 WeakPolarHBondContact O-CA 3.45Å
461	I	79.2	Confident	79.4	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	166.8	177.6	62.6	172.3	0	0	0	110	T275 A276 Y302 A458 L463	T275-I461 CarbonylContact C-O 3.58Å; T275-I461 WeakPolarHBondContact CA-O 3.42Å; A276-I461 HydrophobicContact CB-CG1 4.14Å; A276-I461 PolarHBondContact N-O 3.05Å; A276-I461 PolarHBondContact O-N 2.71Å; Y302-I461 HydrophobicContact CD1-CD1 3.49Å; Y302-I461 VanDerWaalsContact CD1-CD1 3.49Å; Y302-I461 HydrophobicContact CD1-CG1 3.63Å; Y302-I461 HydrophobicContact CD2-CD1 4.06Å; Y302-I461 HydrophobicContact CE1-CD1 3.55Å; Y302-I461 HydrophobicContact CE1-CG1 3.74Å; Y302-I461 HydrophobicContact CE1-CG2 4.11Å; Y302-I461 HydrophobicContact CE2-CD1 4.12Å; Y302-I461 HydrophobicContact CG-CD1 3.75Å; Y302-I461 HydrophobicContact CG-CG1 4.32Å; A458-I461 HydrophobicContact CB-CG2 4.1Å; I461-L463 HydrophobicContact CD1-CD1 4.49Å; I461-L463 HydrophobicContact CD1-CD2 3.61Å; I461-L463 HydrophobicContact CD1-CG 4.02Å; I461-L463 HydrophobicContact CG1-CD2 4.2Å; I461-L463 HydrophobicContact CG1-CG 4.17Å
462	C	82.1	Confident	80.8	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.088	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.7	173.1	-165.6	0	0	0	0	109.6	C310 S347	C310-C462 HydrophobicContact CB-CB 3.55Å; C310-C462 WeakPolarHBondContact CB-SG 3.49Å; C310-C462 WeakPolarHBondContact SG-CA 3.43Å; C310-C462 WeakPolarHBondContact SG-CB 3.41Å; C310-C462 CovalentContact SG-SG 2.03Å; C310-C462 PolarHBondContact SG-SG 2.86Å; S347-C462 PolarHBondContact N-O 3.46Å
463	L	85.1	Confident	82.1	Confident	14 Å²	14	41.3 Å²	41.3	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.1	177.6	-69.3	-171.6	0	0	0	110.4	T274 A276 R304 E344 S345 Q346 I461	T274-L463 PolarHBondContact N-O 3.04Å; T274-L463 PolarHBondContact O-N 2.96Å; A276-L463 HydrophobicContact CB-CB 4.25Å; A276-L463 HydrophobicContact CB-CD1 3.4Å; A276-L463 HydrophobicContact CB-CG 3.62Å; R304-L463 HydrophobicContact CB-CD1 4.44Å; R304-L463 HydrophobicContact CG-CB 4.28Å; E344-L463 WeakPolarHBondContact OE2-CD1 3.43Å; S345-L463 CarbonylContact O-C 3.53Å; S345-L463 WeakPolarHBondContact O-CA 3.17Å; Q346-L463 HydrophobicContact CB-CD2 4.33Å; I461-L463 HydrophobicContact CD1-CD1 4.49Å; I461-L463 HydrophobicContact CD1-CD2 3.61Å; I461-L463 HydrophobicContact CD1-CG 4.02Å; I461-L463 HydrophobicContact CG1-CD2 4.2Å; I461-L463 HydrophobicContact CG1-CG 4.17Å
464	Q	85.4	Confident	83.5	Confident	47 Å²	47	38.8 Å²	38.8	22%	0.22	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.5	170.8	178	179.9	-10.6	0	0	108.8	D271 R272 H273 E344 S345	D271-Q464 PolarHBondContact OD1-NE2 3.45Å; R272-Q464 WeakPolarHBondContact O-CA 3.33Å; H273-Q464 PolarHBondContact CE1-OE1 3.14Å; E344-Q464 WeakPolarHBondContact CA-O 3.35Å; S345-Q464 PolarHBondContact N-O 3.38Å; S345-Q464 PolarHBondContact O-N 2.9Å
465	G	87.1	Confident	85	Confident	5 Å²	5	34.2 Å²	34.2	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	170.2	176.1	0	0	0	0	0	112.2	R272	R272-G465 PolarHBondContact N-O 3.49Å; R272-G465 PolarHBondContact O-N 3.34Å; R272-G465 VanDerWaalsContact O-N 3.13Å
466	K	90.3	Very high	86.3	Confident	37 Å²	37	32.4 Å²	32.4	16%	0.161	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	147.1	174.5	69	-177.2	178.4	-164.4	0	111.2	Y269 L270 R304 E340 N341 I342 L468	Y269-K466 CarbonylContact O-C 3.49Å; Y269-K466 VanDerWaalsContact O-CA 3.3Å; Y269-K466 WeakPolarHBondContact O-CA 3.47Å; L270-K466 HydrophobicContact CD2-CB 4.1Å; R304-K466 PolarHBondContact NH2-O 3.01Å; E340-K466 IonicContact OE2-NZ 2.87Å; E340-K466 PolarHBondContact OE2-NZ 3.41Å; N341-K466 VanDerWaalsContact C-CE 3.48Å; N341-K466 WeakPolarHBondContact O-CE 3.23Å; N341-K466 PolarHBondContact O-NZ 3.23Å; I342-K466 HydrophobicContact CB-CG 4.47Å; I342-K466 HydrophobicContact CG1-CG 4.14Å; I342-K466 HydrophobicContact CG2-CG 4.14Å; K466-L468 HydrophobicContact CD-CD2 4.07Å; K466-L468 HydrophobicContact CG-CD2 4.33Å
467	T	93.7	Very high	87.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122	172.2	-53.1	0	0	0	0	108.2	Y269 R272 R304 I306 L318 Y326 C327 T328	Y269-T467 PolarHBondContact N-O 3.38Å; Y269-T467 PolarHBondContact O-N 3.35Å; R272-T467 WeakPolarHBondContact CD-OG1 3.29Å; R304-T467 PolarHBondContact NH1-OG1 3.01Å; R304-T467 VanDerWaalsContact NH1-OG1 3.11Å; I306-T467 HydrophobicContact CG2-CG2 4.32Å; L318-T467 HydrophobicContact CD1-CG2 4.15Å; Y326-T467 HydrophobicContact CD1-CG2 4.34Å; C327-T467 WeakPolarHBondContact O-CA 3.43Å; T328-T467 HydrophobicContact CG2-CG2 4.04Å
468	L	95.1	Very high	88.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.1	-176	-56.9	-179.5	0	0	0	109.6	M266 P268 Y326 C327 V334 E340 I342 K466 F470	M266-L468 HydrophobicContact CE-CD2 4.42Å; M266-L468 HydrophobicContact CG-CB 4.16Å; M266-L468 HydrophobicContact CG-CD1 4.47Å; M266-L468 HydrophobicContact CG-CD2 4.38Å; M266-L468 HydrophobicContact SD-CD1 3.87Å; M266-L468 HydrophobicContact SD-CD2 4.08Å; M266-L468 HydrophobicContact SD-CG 4.4Å; P268-L468 HydrophobicContact CB-CD2 3.78Å; Y326-L468 CarbonylContact C-O 3.46Å; Y326-L468 VanDerWaalsContact CA-O 3.27Å; Y326-L468 WeakPolarHBondContact CA-O 3.45Å; C327-L468 HydrophobicContact CB-CB 4.45Å; C327-L468 PolarHBondContact N-O 3.07Å; C327-L468 PolarHBondContact O-N 2.89Å; V334-L468 HydrophobicContact CB-CD1 4.45Å; V334-L468 HydrophobicContact CG1-CD1 3.6Å; V334-L468 HydrophobicContact CG2-CD1 4.06Å; E340-L468 HydrophobicContact CB-CD1 4.37Å; I342-L468 HydrophobicContact CD1-CD1 3.85Å; I342-L468 HydrophobicContact CD1-CG 4Å; I342-L468 HydrophobicContact CG1-CD1 3.87Å; I342-L468 HydrophobicContact CG1-CG 4.22Å; K466-L468 HydrophobicContact CD-CD2 4.07Å; K466-L468 HydrophobicContact CG-CD2 4.33Å; L468-F470 HydrophobicContact CB-CE2 3.85Å; L468-F470 HydrophobicContact CB-CZ 4.18Å; L468-F470 HydrophobicContact CD1-CZ 4.27Å
469	K	96.2	Very high	89.4	Confident	26 Å²	26	30.1 Å²	30.1	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123	173	-179.3	-172.8	-179.5	-173.5	0	109.5	M266 H267 Y269 S324 Y326 T471	M266-K469 CarbonylContact C-O 3.28Å; M266-K469 VanDerWaalsContact CA-O 3.28Å; M266-K469 WeakPolarHBondContact CA-O 3.33Å; H267-K469 HydrophobicContact CB-CB 4.37Å; H267-K469 PolarHBondContact N-O 2.88Å; H267-K469 PolarHBondContact O-N 3.04Å; Y269-K469 HydrophobicContact CD2-CB 4.44Å; Y269-K469 HydrophobicContact CE2-CB 3.89Å; Y269-K469 HydrophobicContact CE2-CD 4.23Å; S324-K469 WeakPolarHBondContact OG-CE 3.27Å; Y326-K469 HydrophobicContact CD1-CB 3.7Å; Y326-K469 HydrophobicContact CD1-CG 3.97Å; Y326-K469 HydrophobicContact CE1-CB 3.63Å; Y326-K469 HydrophobicContact CE1-CD 3.8Å; Y326-K469 HydrophobicContact CE1-CG 3.56Å; K469-T471 WeakPolarHBondContact CE-OG1 3.25Å
470	F	96.9	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.5	175.1	-68	-79.8	0	0	0	110.2	L264 A265 M266 S324 F325 C327 L333 V334 F338 L468 W629	L264-F470 HydrophobicContact CD1-CB 4.35Å; A265-F470 CarbonylContact O-C 3.55Å; A265-F470 VanDerWaalsContact O-CA 3.29Å; A265-F470 WeakPolarHBondContact O-CA 3.5Å; M266-F470 HydrophobicContact CB-CD1 3.94Å; M266-F470 HydrophobicContact CB-CE1 3.66Å; M266-F470 HydrophobicContact CB-CZ 4.44Å; M266-F470 HydrophobicContact CG-CD1 4.12Å; M266-F470 HydrophobicContact CG-CE1 3.54Å; M266-F470 HydrophobicContact CG-CZ 3.83Å; M266-F470 HydrophobicContact SD-CE1 4.28Å; M266-F470 HydrophobicContact SD-CZ 4.31Å; S324-F470 WeakPolarHBondContact CA-O 3.43Å; S324-F470 WeakPolarHBondContact CB-O 2.89Å; F325-F470 HydrophobicContact CE1-CB 4.17Å; F325-F470 HydrophobicContact CE2-CB 4.4Å; F325-F470 HydrophobicContact CE2-CD2 4.05Å; F325-F470 HydrophobicContact CZ-CB 4.09Å; F325-F470 HydrophobicContact CZ-CD2 4.34Å; F325-F470 HydrophobicContact CZ-CG 4.43Å; F325-F470 PolarHBondContact N-O 3.34Å; F325-F470 VanDerWaalsContact N-O 3.14Å; F325-F470 PolarHBondContact O-N 3.03Å; C327-F470 HydrophobicContact CB-CD2 4.35Å; C327-F470 HydrophobicContact CB-CE2 3.86Å; L333-F470 HydrophobicContact CD1-CD1 4.39Å; L333-F470 HydrophobicContact CD1-CE1 4.28Å; L333-F470 HydrophobicContact CD2-CB 4.5Å; L333-F470 HydrophobicContact CD2-CD1 3.87Å; L333-F470 HydrophobicContact CD2-CD2 3.76Å; L333-F470 HydrophobicContact CD2-CE1 3.97Å; L333-F470 HydrophobicContact CD2-CE2 3.86Å; L333-F470 HydrophobicContact CD2-CG 3.77Å; L333-F470 HydrophobicContact CD2-CZ 3.96Å; L333-F470 HydrophobicContact CG-CD1 4.16Å; L333-F470 HydrophobicContact CG-CE1 3.85Å; L333-F470 HydrophobicContact CG-CE2 4.3Å; L333-F470 HydrophobicContact CG-CZ 3.93Å; V334-F470 HydrophobicContact CG2-CE2 4Å; V334-F470 HydrophobicContact CG2-CZ 3.87Å; F338-F470 HydrophobicContact CD2-CD1 4.26Å; F338-F470 AromaticContact CD2-CE1 3.52Å; F338-F470 HydrophobicContact CD2-CE1 3.52Å; F338-F470 HydrophobicContact CD2-CZ 4.45Å; F338-F470 AromaticContact CE2-CD1 3.9Å; F338-F470 HydrophobicContact CE2-CD1 3.9Å; F338-F470 AromaticContact CE2-CE1 3.64Å; F338-F470 HydrophobicContact CE2-CE1 3.64Å; F338-F470 AromaticContact CG-CE1 3.99Å; F338-F470 HydrophobicContact CG-CE1 3.99Å; F338-F470 HydrophobicContact CZ-CD1 4.31Å; F338-F470 HydrophobicContact CZ-CE1 4.23Å; L468-F470 HydrophobicContact CB-CE2 3.85Å; L468-F470 HydrophobicContact CB-CZ 4.18Å; L468-F470 HydrophobicContact CD1-CZ 4.27Å; F470-W629 HydrophobicContact CB-CZ2 4.25Å; F470-W629 PolarHBondContact O-NE1 3.36Å
471	T	95.4	Very high	90.3	Very high	20 Å²	20	27.4 Å²	27.4	12%	0.123	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131	-177.3	-51.8	0	0	0	0	110.1	A265 N323 K469	A265-T471 PolarHBondContact N-O 3.14Å; A265-T471 PolarHBondContact O-N 3.18Å; N323-T471 WeakPolarHBondContact ND2-CG2 3.42Å; N323-T471 WeakPolarHBondContact O-CA 3.36Å; K469-T471 WeakPolarHBondContact CE-OG1 3.25Å
472	L	95.8	Very high	90.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.9	176.1	-172	69.6	0	0	0	110	Y262 L264 N323 F618 T626 W629	Y262-L472 HydrophobicContact CD1-CD1 3.89Å; Y262-L472 HydrophobicContact CD1-CD2 4.03Å; Y262-L472 HydrophobicContact CD1-CG 3.83Å; Y262-L472 HydrophobicContact CE1-CD2 4.24Å; Y262-L472 HydrophobicContact CE1-CG 4.46Å; Y262-L472 HydrophobicContact CG-CD1 4.04Å; Y262-L472 HydrophobicContact CG-CG 4.48Å; L264-L472 HydrophobicContact CB-CD1 4.37Å; N323-L472 PolarHBondContact ND2-O 2.04Å; N323-L472 PolarHBondContact O-N 2.88Å; L472-F618 HydrophobicContact CD1-CE2 4.07Å; L472-F618 HydrophobicContact CD1-CZ 3.69Å; L472-F618 HydrophobicContact CD2-CE2 3.99Å; L472-F618 HydrophobicContact CD2-CZ 4.12Å; L472-T626 VanDerWaalsContact O-CG2 3.32Å; L472-T626 WeakPolarHBondContact O-CG2 3.33Å; L472-W629 HydrophobicContact CB-CB 4.19Å; L472-W629 HydrophobicContact CB-CD2 3.65Å; L472-W629 HydrophobicContact CB-CE3 4.24Å; L472-W629 HydrophobicContact CB-CG 3.61Å; L472-W629 HydrophobicContact CD2-CB 4.28Å; L472-W629 HydrophobicContact CD2-CD2 4.01Å; L472-W629 HydrophobicContact CD2-CE3 3.79Å; L472-W629 HydrophobicContact CD2-CG 4.24Å; L472-W629 HydrophobicContact CD2-CZ3 4.45Å; L472-W629 HydrophobicContact CG-CD2 4.36Å; L472-W629 HydrophobicContact CG-CE3 4.48Å
473	N	94.2	Very high	91.6	Very high	37 Å²	37	27.2 Å²	27.2	20%	0.198	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.6	178.2	-69.3	-35.6	0	0	0	110.3	M239 Y262 Y263 N323	M239-N473 HydrophobicContact CE-CB 3.56Å; Y262-N473 WeakPolarHBondContact CA-O 3.34Å; Y263-N473 PolarHBondContact N-O 3.39Å; Y263-N473 PolarHBondContact O-N 2.94Å; N323-N473 PolarHBondContact ND2-OD1 3.04Å
474	P	95.4	Very high	92.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.8	175.4	30.2	-38.9	0	0	0	111.4	D226 I229 M239 W242 P259 Y262 F476 T626	D226-P474 HydrophobicContact CB-CB 4.24Å; D226-P474 HydrophobicContact CB-CG 3.97Å; I229-P474 HydrophobicContact CG2-CG 4.43Å; M239-P474 HydrophobicContact CE-CG 4.16Å; M239-P474 HydrophobicContact SD-CG 4.26Å; W242-P474 VanDerWaalsContact CZ3-O 3.29Å; W242-P474 WeakPolarHBondContact CZ3-O 3.18Å; P259-P474 HydrophobicContact CB-CB 3.77Å; P259-P474 HydrophobicContact CG-CB 4.08Å; Y262-P474 HydrophobicContact CD1-CB 4.04Å; Y262-P474 HydrophobicContact CE1-CB 3.84Å; P474-F476 HydrophobicContact CB-CD2 4.32Å; P474-F476 HydrophobicContact CB-CE2 3.72Å; P474-F476 HydrophobicContact CB-CZ 4.18Å; P474-F476 HydrophobicContact CG-CE2 3.82Å; P474-T626 VanDerWaalsContact CD-CG2 3.4Å; P474-T626 HydrophobicContact CG-CG2 4.27Å
475	E	94.5	Very high	92.6	Very high	47 Å²	47	25.4 Å²	25.4	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.8	165.7	-171.8	179	-178.7	0	0	110.1	W242 P259 K260 Q261 Y263	W242-E475 HydrophobicContact CH2-CB 4.36Å; W242-E475 HydrophobicContact CH2-CG 4.14Å; W242-E475 HydrophobicContact CZ2-CG 4.1Å; P259-E475 CarbonylContact C-O 3.57Å; P259-E475 WeakPolarHBondContact CA-O 3.35Å; P259-E475 VanDerWaalsContact CB-O 3.28Å; P259-E475 WeakPolarHBondContact CB-O 3.36Å; K260-E475 PolarHBondContact N-O 2.98Å; Q261-E475 HydrophobicContact CG-CB 4.04Å; Q261-E475 WeakPolarHBondContact CG-OE2 3.46Å; Q261-E475 PolarHBondContact NE2-OE2 3.4Å; Q261-E475 PolarHBondContact O-N 2.77Å; Y263-E475 HydrophobicContact CD2-CB 4.25Å; Y263-E475 HydrophobicContact CE2-CB 3.76Å; Y263-E475 HydrophobicContact CE2-CG 4.08Å; Y263-E475 WeakPolarHBondContact CE2-OE2 3.34Å; Y263-E475 PolarHBondContact OH-OE2 3.02Å
476	F	94	Very high	93.1	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.035	14%	0.142	C	C	.	.			trans	-103.5	142.3	176.9	-66.8	-82.3	0	0	0	111.2	D226 V230 W242 P257 P259 P474 F478	D226-F476 HydrophobicContact CB-CE2 4.39Å; D226-F476 HydrophobicContact CB-CZ 3.97Å; V230-F476 HydrophobicContact CG2-CD2 4.45Å; V230-F476 HydrophobicContact CG2-CE2 3.88Å; W242-F476 HydrophobicContact CD2-CB 4.13Å; W242-F476 HydrophobicContact CD2-CD2 4.17Å; W242-F476 AromaticContact CE3-CD2 3.89Å; W242-F476 HydrophobicContact CE3-CD2 3.89Å; W242-F476 HydrophobicContact CG-CB 4.32Å; W242-F476 HydrophobicContact CZ3-CD2 4.28Å; W242-F476 PolarHBondContact NE1-O 2.81Å; P257-F476 WeakPolarHBondContact O-CE1 3.38Å; P259-F476 HydrophobicContact CB-CD1 4.02Å; P259-F476 HydrophobicContact CB-CE1 3.83Å; P259-F476 HydrophobicContact CB-CE2 4.47Å; P259-F476 HydrophobicContact CB-CG 4.45Å; P259-F476 HydrophobicContact CB-CZ 4.07Å; P259-F476 HydrophobicContact CG-CE1 4.36Å; P259-F476 HydrophobicContact CG-CZ 4.47Å; P474-F476 HydrophobicContact CB-CD2 4.32Å; P474-F476 HydrophobicContact CB-CE2 3.72Å; P474-F476 HydrophobicContact CB-CZ 4.18Å; P474-F476 HydrophobicContact CG-CE2 3.82Å; F476-F478 HydrophobicContact CB-CD1 4.22Å; F476-F478 HydrophobicContact CB-CD2 3.7Å; F476-F478 HydrophobicContact CB-CE1 3.94Å; F476-F478 HydrophobicContact CB-CE2 3.38Å; F476-F478 HydrophobicContact CB-CG 4.12Å; F476-F478 HydrophobicContact CB-CZ 3.52Å; F476-F478 AromaticContact CD1-CE1 3.68Å; F476-F478 HydrophobicContact CD1-CE1 3.68Å; F476-F478 AromaticContact CD1-CE2 3.82Å; F476-F478 HydrophobicContact CD1-CE2 3.82Å; F476-F478 AromaticContact CD1-CZ 3.15Å; F476-F478 HydrophobicContact CD1-CZ 3.15Å; F476-F478 HydrophobicContact CD2-CE2 4.09Å; F476-F478 HydrophobicContact CD2-CZ 4.23Å; F476-F478 AromaticContact CE1-CZ 3.84Å; F476-F478 HydrophobicContact CE1-CZ 3.84Å; F476-F478 HydrophobicContact CG-CD2 4.32Å; F476-F478 HydrophobicContact CG-CE1 4.09Å; F476-F478 AromaticContact CG-CE2 3.5Å; F476-F478 HydrophobicContact CG-CE2 3.5Å; F476-F478 VanDerWaalsContact CG-CE2 3.5Å; F476-F478 AromaticContact CG-CZ 3.37Å; F476-F478 HydrophobicContact CG-CZ 3.37Å
477	D	90.7	Very high	93.4	Very high	64 Å²	64	24.1 Å²	24.1	34%	0.342	13%	0.134	S	C	.	.			trans	-105.2	99.7	164	-171.4	-9.6	0	0	0	107.7	K260 T479 T482	K260-D477 HydrophobicContact CD-CB 4.31Å; D477-T479 WeakPolarHBondContact OD1-CB 3.3Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.48Å; D477-T479 PolarHBondContact OD1-N 3.18Å; D477-T479 PolarHBondContact OD1-OG1 3.11Å; D477-T482 VanDerWaalsContact C-OG1 3.32Å; D477-T482 PolarHBondContact O-OG1 2.79Å; D477-T482 PolarHBondContact OD1-OG1 2.86Å
478	F	91.3	Very high	93.4	Very high	16 Å²	16	27.8 Å²	27.8	7%	0.07	15%	0.151	C	C	.	.			trans	-113.3	19.5	175.1	-60.3	-38.1	0	0	0	111.9	W242 P245 L246 I249 P257 F476 N480 G481 T482	W242-F478 HydrophobicContact CB-CD2 4.04Å; W242-F478 HydrophobicContact CB-CE2 4.09Å; W242-F478 AromaticContact CD1-CD2 3.8Å; W242-F478 HydrophobicContact CG-CD2 4.07Å; W242-F478 HydrophobicContact CG-CE2 4.32Å; P245-F478 HydrophobicContact CB-CB 3.65Å; P245-F478 HydrophobicContact CB-CD2 3.86Å; P245-F478 HydrophobicContact CB-CG 4.01Å; P245-F478 HydrophobicContact CG-CB 4.43Å; L246-F478 HydrophobicContact CB-CE2 3.9Å; L246-F478 HydrophobicContact CB-CZ 4.36Å; L246-F478 HydrophobicContact CD1-CE2 4.16Å; L246-F478 HydrophobicContact CD1-CZ 3.81Å; I249-F478 HydrophobicContact CD1-CD1 3.32Å; I249-F478 HydrophobicContact CD1-CE1 3.49Å; I249-F478 VanDerWaalsContact CD1-CE1 3.49Å; I249-F478 HydrophobicContact CD1-CG 3.93Å; I249-F478 HydrophobicContact CD1-CZ 4.19Å; P257-F478 HydrophobicContact CB-CE1 4.17Å; P257-F478 HydrophobicContact CB-CZ 4.27Å; F476-F478 HydrophobicContact CB-CD1 4.22Å; F476-F478 HydrophobicContact CB-CD2 3.7Å; F476-F478 HydrophobicContact CB-CE1 3.94Å; F476-F478 HydrophobicContact CB-CE2 3.38Å; F476-F478 HydrophobicContact CB-CG 4.12Å; F476-F478 HydrophobicContact CB-CZ 3.52Å; F476-F478 AromaticContact CD1-CE1 3.68Å; F476-F478 HydrophobicContact CD1-CE1 3.68Å; F476-F478 AromaticContact CD1-CE2 3.82Å; F476-F478 HydrophobicContact CD1-CE2 3.82Å; F476-F478 AromaticContact CD1-CZ 3.15Å; F476-F478 HydrophobicContact CD1-CZ 3.15Å; F476-F478 HydrophobicContact CD2-CE2 4.09Å; F476-F478 HydrophobicContact CD2-CZ 4.23Å; F476-F478 AromaticContact CE1-CZ 3.84Å; F476-F478 HydrophobicContact CE1-CZ 3.84Å; F476-F478 HydrophobicContact CG-CD2 4.32Å; F476-F478 HydrophobicContact CG-CE1 4.09Å; F476-F478 AromaticContact CG-CE2 3.5Å; F476-F478 HydrophobicContact CG-CE2 3.5Å; F476-F478 VanDerWaalsContact CG-CE2 3.5Å; F476-F478 AromaticContact CG-CZ 3.37Å; F476-F478 HydrophobicContact CG-CZ 3.37Å; F478-N480 PolarHBondContact O-N 2.98Å; F478-G481 PolarHBondContact O-N 2.66Å; F478-T482 VanDerWaalsContact C-OG1 3.3Å; F478-T482 WeakPolarHBondContact CA-OG1 3.48Å
479	T	85.1	Confident	93.3	Very high	78 Å²	78	28.3 Å²	28.3	48%	0.479	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-57.3	124.6	178.9	56.3	0	0	0	0	110.1	D477 G481 T482	D477-T479 WeakPolarHBondContact OD1-CB 3.3Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.48Å; D477-T479 PolarHBondContact OD1-N 3.18Å; D477-T479 PolarHBondContact OD1-OG1 3.11Å; T479-G481 PolarHBondContact O-N 3.28Å; T479-T482 PolarHBondContact N-OG1 2.79Å; T479-T482 WeakPolarHBondContact O-CB 3.49Å; T479-T482 VanDerWaalsContact O-CG2 3.25Å; T479-T482 WeakPolarHBondContact O-CG2 3.3Å; T479-T482 PolarHBondContact O-N 2.9Å; T479-T482 PolarHBondContact O-OG1 2.91Å
480	N	83.5	Confident	92.9	Very high	126 Å²	126	32.7 Å²	32.7	67%	0.674	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	52	26.8	-178.4	-65.4	-13.4	0	0	0	115.3	F478 V583	F478-N480 PolarHBondContact O-N 2.98Å; N480-V583 HydrophobicContact CB-CG1 3.98Å
481	G	84.6	Confident	92.3	Very high	25 Å²	25	35.4 Å²	35.4	26%	0.258	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	79.8	22.3	178.6	0	0	0	0	0	114.6	F478 T479 Y483 R581	F478-G481 PolarHBondContact O-N 2.66Å; T479-G481 PolarHBondContact O-N 3.28Å; G481-Y483 WeakPolarHBondContact O-CD1 3.34Å; G481-R581 PolarHBondContact O-NH1 3.17Å
482	T	93.3	Very high	91.8	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	18%	0.182	C	C	.	.			trans	-56.4	146.6	161.7	48.4	0	0	0	0	110.7	D477 F478 T479 R581 V583	D477-T482 VanDerWaalsContact C-OG1 3.32Å; D477-T482 PolarHBondContact O-OG1 2.79Å; D477-T482 PolarHBondContact OD1-OG1 2.86Å; F478-T482 VanDerWaalsContact C-OG1 3.3Å; F478-T482 WeakPolarHBondContact CA-OG1 3.48Å; T479-T482 PolarHBondContact N-OG1 2.79Å; T479-T482 WeakPolarHBondContact O-CB 3.49Å; T479-T482 VanDerWaalsContact O-CG2 3.25Å; T479-T482 WeakPolarHBondContact O-CG2 3.3Å; T479-T482 PolarHBondContact O-N 2.9Å; T479-T482 PolarHBondContact O-OG1 2.91Å; T482-R581 VanDerWaalsContact CA-O 3.27Å; T482-R581 WeakPolarHBondContact CA-O 3.38Å; T482-V583 HydrophobicContact CG2-CB 4.28Å; T482-V583 HydrophobicContact CG2-CG2 3.5Å; T482-V583 VanDerWaalsContact CG2-CG2 3.5Å; T482-V583 VanDerWaalsContact CG2-N 3.33Å
483	Y	95.1	Very high	91.2	Very high	15 Å²	15	43 Å²	43	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	160.4	171.6	62.4	-101.3	0	0	0	110.9	I249 A253 G481 C485 V579 H580 R581	I249-Y483 HydrophobicContact CG1-CD1 4.35Å; I249-Y483 HydrophobicContact CG2-CD1 4.32Å; I249-Y483 HydrophobicContact CG2-CG 4.12Å; A253-Y483 HydrophobicContact CB-CD1 4.29Å; A253-Y483 HydrophobicContact CB-CD2 4.44Å; A253-Y483 HydrophobicContact CB-CE1 3.74Å; A253-Y483 HydrophobicContact CB-CE2 3.95Å; G481-Y483 WeakPolarHBondContact O-CD1 3.34Å; Y483-C485 WeakPolarHBondContact CD2-SG 3.15Å; Y483-C485 VanDerWaalsContact CE2-SG 3.54Å; Y483-V579 HydrophobicContact CE2-CG1 4.44Å; Y483-H580 WeakPolarHBondContact O-CA 3.47Å; Y483-R581 HydrophobicContact CD1-CB 3.92Å; Y483-R581 HydrophobicContact CD2-CB 4.36Å; Y483-R581 HydrophobicContact CE1-CB 3.67Å; Y483-R581 HydrophobicContact CE1-CG 4.13Å; Y483-R581 HydrophobicContact CE2-CB 4.13Å; Y483-R581 HydrophobicContact CG-CB 4.26Å; Y483-R581 PolarHBondContact N-O 3.23Å; Y483-R581 PolarHBondContact O-N 2.76Å
484	T	96	Very high	90.7	Very high	22 Å²	22	44 Å²	44	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.5	172.4	-53	0	0	0	0	108.6	L258 I578 V579 Y648	L258-T484 HydrophobicContact CB-CG2 4.3Å; L258-T484 HydrophobicContact CD1-CG2 4.06Å; L258-T484 PolarHBondContact N-O 3.32Å; T484-I578 HydrophobicContact CG2-CG2 3.19Å; T484-V579 CarbonylContact C-O 3.56Å; T484-V579 WeakPolarHBondContact CA-O 3.33Å; T484-Y648 HydrophobicContact CG2-CD1 4.48Å; T484-Y648 HydrophobicContact CG2-CE1 4.3Å
485	C	96.1	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.9	-179.4	-61.7	0	0	0	0	110.4	C254 Y483 V487 I578 V579	C254-C485 HydrophobicContact CB-CB 3.61Å; C254-C485 WeakPolarHBondContact CB-SG 3.45Å; C254-C485 WeakPolarHBondContact SG-CB 3.16Å; C254-C485 CovalentContact SG-SG 2.03Å; C254-C485 PolarHBondContact SG-SG 3.36Å; Y483-C485 WeakPolarHBondContact CD2-SG 3.15Å; Y483-C485 VanDerWaalsContact CE2-SG 3.54Å; C485-V487 HydrophobicContact CB-CG1 4.45Å; C485-I578 WeakPolarHBondContact O-CA 3.44Å; C485-V579 PolarHBondContact N-O 2.78Å; C485-V579 PolarHBondContact O-N 2.87Å
486	H	97.5	Very high	90.3	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.2	170.2	-174.5	-145.3	0	0	0	110.1	D219 V220 H222 L258 D576 I578 P621	D219-H486 WeakPolarHBondContact CA-O 3.26Å; V220-H486 WeakPolarHBondContact CB-ND1 3.42Å; V220-H486 PolarHBondContact N-O 2.81Å; H222-H486 AromaticContact CE1-ND1 3.31Å; H222-H486 PolarHBondContact CE1-ND1 3.24Å; H222-H486 VanDerWaalsContact CE1-ND1 3.31Å; H222-H486 AromaticContact NE2-CG 3.89Å; H222-H486 AromaticContact NE2-ND1 3.09Å; H222-H486 PolarHBondContact NE2-ND1 3.46Å; L258-H486 HydrophobicContact CD1-CB 4.12Å; H486-D576 IonicContact NE2-OD1 2.78Å; H486-I578 HydrophobicContact CB-CD1 4.22Å; H486-P621 HydrophobicContact CB-CB 4.46Å; H486-P621 HydrophobicContact CB-CG 4.35Å
487	V	96.1	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.5	-178	-56.4	0	0	0	0	111	Y217 E218 D219 C485 A577 V579 L589 Y672	Y217-V487 HydrophobicContact CD1-CB 4.25Å; Y217-V487 HydrophobicContact CD1-CG2 3.6Å; Y217-V487 HydrophobicContact CE1-CG2 4.4Å; Y217-V487 HydrophobicContact CG-CG2 3.96Å; E218-V487 CarbonylContact O-C 3.57Å; E218-V487 WeakPolarHBondContact O-CA 3.36Å; E218-V487 WeakPolarHBondContact O-CB 3.3Å; D219-V487 HydrophobicContact CB-CG1 4.5Å; C485-V487 HydrophobicContact CB-CG1 4.45Å; V487-A577 HydrophobicContact CG2-CB 3.99Å; V487-A577 WeakPolarHBondContact CG2-O 3.36Å; V487-A577 PolarHBondContact N-O 3Å; V487-A577 PolarHBondContact O-N 3.47Å; V487-A577 VanDerWaalsContact O-O 3.08Å; V487-V579 HydrophobicContact CB-CG2 4.5Å; V487-V579 HydrophobicContact CG1-CB 4.37Å; V487-V579 HydrophobicContact CG1-CG2 3.88Å; V487-V579 HydrophobicContact CG2-CG2 3.75Å; V487-L589 HydrophobicContact CG2-CD1 4.37Å; V487-Y672 HydrophobicContact CG1-CD2 4Å; V487-Y672 HydrophobicContact CG1-CE2 3.87Å
488	Q	94.7	Very high	90	Very high	76 Å²	76	38.8 Å²	38.8	36%	0.355	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.1	178.4	-178.2	170.7	58.8	0	0	110.3	Y217 E218 V220 R490 D575	Y217-Q488 CarbonylContact C-O 3.51Å; Y217-Q488 VanDerWaalsContact CA-O 3.32Å; Y217-Q488 WeakPolarHBondContact CA-O 3.29Å; E218-Q488 PolarHBondContact N-O 3.05Å; E218-Q488 PolarHBondContact O-N 2.95Å; V220-Q488 HydrophobicContact CG2-CB 3.66Å; Q488-R490 PolarHBondContact O-N 3.25Å; Q488-D575 CarbonylContact C-O 3.52Å; Q488-D575 VanDerWaalsContact CA-O 3.28Å; Q488-D575 WeakPolarHBondContact CA-O 3.39Å; Q488-D575 WeakPolarHBondContact CG-O 3Å
489	H	92.6	Very high	90	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.9	178.9	-178.1	47.6	0	0	0	111	E216 Y217 P491 I573 W574 D575	E216-H489 PolarHBondContact O-ND1 2.64Å; Y217-H489 HydrophobicContact CD1-CB 4.06Å; Y217-H489 HydrophobicContact CE1-CB 3.7Å; H489-P491 WeakPolarHBondContact O-CD 3.36Å; H489-I573 VanDerWaalsContact CD2-CG2 3.42Å; H489-I573 WeakPolarHBondContact CD2-CG2 3.25Å; H489-I573 WeakPolarHBondContact NE2-CG2 3.29Å; H489-W574 WeakPolarHBondContact CB-O 3Å; H489-D575 PolarHBondContact N-O 3.25Å
490	R	87.7	Confident	90.2	Very high	118 Å²	118	35.6 Å²	35.6	45%	0.445	18%	0.178	S	C	.	.			trans	-115.7	92.5	174.7	-70.1	-61.2	-157.9	178.9	0.5	109.6	E216 E218 Q488	E216-R490 PolarHBondContact O-N 3.23Å; E218-R490 HydrophobicContact CB-CG 4.04Å; E218-R490 HydrophobicContact CG-CG 3.74Å; E218-R490 IonicContact OE2-CZ 3.59Å; E218-R490 IonicContact OE2-NE 2.65Å; E218-R490 PolarHBondContact OE2-NE 3.43Å; E218-R490 IonicContact OE2-NH2 2.72Å; E218-R490 PolarHBondContact OE2-NH2 3.31Å; E218-R490 VanDerWaalsContact OE2-NH2 3.09Å; Q488-R490 PolarHBondContact O-N 3.25Å
491	P	84.3	Confident	90.5	Very high	56 Å²	56	30.8 Å²	30.8	36%	0.364	15%	0.15	S	C	.	.			trans	-61.7	136	178.4	22.2	-30.8	0	0	0	110.7	H489 L525	H489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-L525 HydrophobicContact CB-CD1 3.57Å
492	P	86.1	Confident	90.4	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.026	14%	0.138	C	C	.	.			trans	-74.9	133.1	179.5	31.8	-35.9	0	0	0	110.9	R212 I494 L525 L551	R212-P492 HydrophobicContact CB-CB 3.9Å; R212-P492 HydrophobicContact CB-CG 3.97Å; P492-I494 VanDerWaalsContact C-N 3.27Å; P492-I494 PolarHBondContact O-N 2.83Å; P492-L525 HydrophobicContact CG-CD1 4.47Å; P492-L525 WeakPolarHBondContact O-CD1 3.39Å; P492-L551 HydrophobicContact CG-CD1 4.21Å
493	K	82.9	Confident	89.9	Confident	176 Å²	176	30 Å²	30	77%	0.765	14%	0.14	S	C	*	.	S	Bend	trans	-55.7	-42.5	176.1	-68.5	-174.4	178.5	-177.3	0	112.9	Q524 L525	K493-Q524 VanDerWaalsContact O-CA 3.24Å; K493-Q524 WeakPolarHBondContact O-CA 3.21Å; K493-Q524 VanDerWaalsContact O-CB 3.25Å; K493-Q524 WeakPolarHBondContact O-CB 3.23Å; K493-Q524 WeakPolarHBondContact O-CG 3.32Å; K493-L525 PolarHBondContact O-N 3.35Å
494	I	84.2	Confident	88.9	Confident	59 Å²	59	29.3 Å²	29.3	30%	0.303	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.9	175.4	-61.6	162.5	0	0	0	106.5	P492 I523 Q524	P492-I494 VanDerWaalsContact C-N 3.27Å; P492-I494 PolarHBondContact O-N 2.83Å; I494-I523 CarbonylContact C-O 3.57Å; I494-I523 WeakPolarHBondContact CA-O 3.3Å; I494-Q524 HydrophobicContact CB-CG 4.45Å; I494-Q524 HydrophobicContact CG1-CG 3.74Å
495	I	88.1	Confident	87.7	Confident	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-45.3	177.6	-48.7	-175.8	0	0	0	109.5	R212 L213 I523 L525 F550 L551	R212-I495 PolarHBondContact N-O 3.04Å; L213-I495 HydrophobicContact CD2-CG2 3.41Å; L213-I495 VanDerWaalsContact CD2-CG2 3.41Å; L213-I495 HydrophobicContact CG-CG2 4.04Å; I495-I523 PolarHBondContact N-O 3.05Å; I495-L525 HydrophobicContact CD1-CD2 3.91Å; I495-L525 HydrophobicContact CD1-CG 3.93Å; I495-L525 HydrophobicContact CG1-CG 4.03Å; I495-F550 HydrophobicContact CD1-CD1 3.53Å; I495-F550 HydrophobicContact CD1-CE1 3.48Å; I495-F550 VanDerWaalsContact CD1-CE1 3.48Å; I495-L551 HydrophobicContact CD1-CD1 4.32Å; I495-L551 HydrophobicContact CG1-CD1 4.47Å; I495-L551 HydrophobicContact CG2-CD1 4.15Å
496	Y	91.4	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	167.3	172.9	44.1	-100.1	0	0	0	110.8	V208 I211 L213 I498 I523 L556 L565 H567	V208-Y496 HydrophobicContact CG1-CD2 3.73Å; V208-Y496 HydrophobicContact CG1-CE2 4.41Å; V208-Y496 HydrophobicContact CG1-CG 3.79Å; I211-Y496 HydrophobicContact CG2-CD1 4.48Å; L213-Y496 HydrophobicContact CD1-CD1 4.44Å; L213-Y496 HydrophobicContact CD1-CE1 4.29Å; L213-Y496 HydrophobicContact CD2-CE1 4.23Å; L213-Y496 HydrophobicContact CG-CD1 4.37Å; L213-Y496 HydrophobicContact CG-CE1 4.42Å; Y496-I498 HydrophobicContact CD2-CD1 4.44Å; Y496-I498 HydrophobicContact CD2-CG1 3.95Å; Y496-I498 HydrophobicContact CE2-CD1 3.99Å; Y496-I498 HydrophobicContact CE2-CG1 4Å; Y496-I523 HydrophobicContact CD2-CB 4.03Å; Y496-I523 HydrophobicContact CD2-CG1 3.77Å; Y496-I523 HydrophobicContact CE2-CB 3.89Å; Y496-I523 HydrophobicContact CE2-CG1 3.51Å; Y496-I523 HydrophobicContact CE2-CG2 4.22Å; Y496-I523 PolarHBondContact O-N 3.48Å; Y496-L556 HydrophobicContact CE2-CD1 3.87Å; Y496-L556 WeakPolarHBondContact OH-CD1 3.46Å; Y496-L565 HydrophobicContact CE2-CD2 4.15Å; Y496-L565 WeakPolarHBondContact OH-CD2 3.28Å; Y496-H567 HydrophobicContact CE1-CB 4.33Å; Y496-H567 AromaticContact CE1-ND1 3.67Å; Y496-H567 AromaticContact CZ-ND1 3.66Å; Y496-H567 PolarHBondContact OH-ND1 3.21Å
497	T	90.9	Very high	83.9	Confident	11 Å²	11	42.6 Å²	42.6	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131	172.3	-61.7	0	0	0	0	109.1	V208 K209 K520 Y521 N522	V208-T497 CarbonylContact C-O 3.49Å; K209-T497 PolarHBondContact N-O 3.15Å; K209-T497 PolarHBondContact O-N 3.5Å; T497-K520 HydrophobicContact CG2-CD 4.3Å; T497-K520 HydrophobicContact CG2-CG 3.81Å; T497-Y521 CarbonylContact C-O 3.59Å; T497-Y521 VanDerWaalsContact CA-O 3.26Å; T497-Y521 WeakPolarHBondContact CA-O 3.4Å; T497-Y521 WeakPolarHBondContact CG2-O 3.31Å; T497-N522 VanDerWaalsContact CG2-OD1 3.3Å; T497-N522 WeakPolarHBondContact CG2-OD1 3.38Å; T497-N522 PolarHBondContact OG1-OD1 3.14Å
498	I	88.6	Confident	81.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.2	173.9	-57.8	170.6	0	0	0	108.4	I206 N207 Y496 K520 Y521 I523 L556 L558 L565	I206-I498 HydrophobicContact CG2-CG2 4.05Å; N207-I498 CarbonylContact O-C 3.6Å; N207-I498 WeakPolarHBondContact O-CA 3.34Å; Y496-I498 HydrophobicContact CD2-CD1 4.44Å; Y496-I498 HydrophobicContact CD2-CG1 3.95Å; Y496-I498 HydrophobicContact CE2-CD1 3.99Å; Y496-I498 HydrophobicContact CE2-CG1 4Å; I498-K520 CarbonylContact O-C 3.55Å; I498-K520 VanDerWaalsContact O-CA 3.27Å; I498-K520 WeakPolarHBondContact O-CA 3.44Å; I498-Y521 HydrophobicContact CB-CD2 4.32Å; I498-Y521 HydrophobicContact CG2-CD2 4.37Å; I498-Y521 PolarHBondContact N-O 2.99Å; I498-Y521 PolarHBondContact O-N 3.35Å; I498-I523 HydrophobicContact CD1-CD1 4.3Å; I498-I523 HydrophobicContact CD1-CG1 4.08Å; I498-I523 HydrophobicContact CG1-CG1 4.36Å; I498-L556 HydrophobicContact CD1-CD1 4.48Å; I498-L556 HydrophobicContact CD1-CD2 4.28Å; I498-L558 HydrophobicContact CD1-CD2 4.48Å; I498-L558 HydrophobicContact CG2-CD1 4.28Å; I498-L565 HydrophobicContact CD1-CD1 3.91Å; I498-L565 HydrophobicContact CG1-CD1 4.3Å
499	E	91.7	Very high	79.3	Confident	26 Å²	26	48.6 Å²	48.6	12%	0.121	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.7	163.3	-74.9	175.4	-155.6	0	0	108.8	N207 K209 L519 K520	N207-E499 HydrophobicContact CB-CB 4.19Å; N207-E499 PolarHBondContact N-O 3.15Å; N207-E499 PolarHBondContact O-N 3.49Å; K209-E499 VanDerWaalsContact CE-OE2 3.3Å; K209-E499 WeakPolarHBondContact CE-OE2 3.29Å; K209-E499 IonicContact NZ-OE1 3.54Å; K209-E499 PolarHBondContact NZ-OE1 2.97Å; K209-E499 IonicContact NZ-OE2 3.2Å; K209-E499 PolarHBondContact NZ-OE2 2.85Å; E499-L519 CarbonylContact C-O 3.44Å; E499-L519 VanDerWaalsContact CA-O 3.23Å; E499-L519 WeakPolarHBondContact CA-O 3.42Å; E499-K520 HydrophobicContact CG-CB 4.33Å; E499-K520 HydrophobicContact CG-CD 4.48Å; E499-K520 HydrophobicContact CG-CG 4.02Å
500	T	89.8	Confident	77.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.4	-179.5	-176	0	0	0	0	111.9	H205 L519 Y521 W559	H205-T500 WeakPolarHBondContact O-CA 3.03Å; H205-T500 WeakPolarHBondContact O-CB 3.4Å; H205-T500 PolarHBondContact O-OG1 2.68Å; T500-L519 HydrophobicContact CG2-CB 4.03Å; T500-L519 PolarHBondContact N-O 2.82Å; T500-L519 PolarHBondContact O-N 2.76Å; T500-Y521 HydrophobicContact CG2-CE2 3.91Å; T500-W559 HydrophobicContact CG2-CZ2 4.03Å; T500-W559 PolarHBondContact OG1-NE1 3.39Å
501	W	88.2	Confident	76	Confident	25 Å²	25	53.3 Å²	53.3	10%	0.095	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.3	175.4	66.5	97.2	0	0	0	110.2	H205 N207 R518	H205-W501 HydrophobicContact CB-CD2 3.62Å; H205-W501 HydrophobicContact CB-CE3 3.98Å; H205-W501 HydrophobicContact CB-CG 4.21Å; H205-W501 HydrophobicContact CB-CH2 3.71Å; H205-W501 HydrophobicContact CB-CZ2 3.34Å; H205-W501 HydrophobicContact CB-CZ3 4.03Å; H205-W501 AromaticContact CD2-CD1 3.91Å; H205-W501 AromaticContact CD2-CE2 3.94Å; H205-W501 AromaticContact CD2-NE1 3.4Å; H205-W501 PolarHBondContact CD2-NE1 3.46Å; H205-W501 AromaticContact CG-CE2 3.48Å; H205-W501 VanDerWaalsContact CG-CE2 3.48Å; H205-W501 AromaticContact CG-CZ2 3.56Å; H205-W501 AromaticContact CG-NE1 3.43Å; H205-W501 PolarHBondContact N-O 3.01Å; H205-W501 AromaticContact ND1-CZ2 3.71Å; H205-W501 PolarHBondContact O-N 2.65Å; H205-W501 VanDerWaalsContact O-N 3.1Å; N207-W501 HydrophobicContact CB-CZ3 4.47Å; N207-W501 VanDerWaalsContact ND2-CH2 3.31Å; N207-W501 WeakPolarHBondContact ND2-CH2 3.42Å; N207-W501 WeakPolarHBondContact ND2-CZ3 3.46Å; W501-R518 HydrophobicContact CB-CG 4.07Å; W501-R518 HydrophobicContact CD2-CG 3.93Å; W501-R518 HydrophobicContact CE3-CG 3.73Å; W501-R518 HydrophobicContact CG-CG 4.09Å
502	L	84.2	Confident	74.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138	179.7	-169.7	151.9	0	0	0	109.2	I202 S203 V204 L504 S515 S516 W559 L693 A697 F705	I202-L502 HydrophobicContact CG2-CD1 3.71Å; I202-L502 HydrophobicContact CG2-CD2 3.99Å; I202-L502 HydrophobicContact CG2-CG 3.82Å; S203-L502 CarbonylContact O-C 3.57Å; S203-L502 WeakPolarHBondContact O-CA 3.28Å; V204-L502 HydrophobicContact CG2-CD1 4.31Å; V204-L502 HydrophobicContact CG2-CG 4.48Å; L502-L504 HydrophobicContact CD2-CD1 4.35Å; L502-L504 HydrophobicContact CD2-CD2 3.53Å; L502-L504 HydrophobicContact CD2-CG 3.58Å; L502-S515 CarbonylContact O-C 3.56Å; L502-S515 WeakPolarHBondContact O-CA 3.24Å; L502-S516 PolarHBondContact N-OG 3.45Å; L502-S516 PolarHBondContact O-N 3.18Å; L502-W559 HydrophobicContact CB-CH2 4.34Å; L502-L693 HydrophobicContact CD1-CB 4.15Å; L502-A697 HydrophobicContact CD1-CB 4.45Å; L502-F705 HydrophobicContact CB-CE1 4.36Å; L502-F705 HydrophobicContact CD2-CE1 3.6Å; L502-F705 HydrophobicContact CD2-CZ 3.97Å
503	T	81.6	Confident	74	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.5	167.7	58.3	0	0	0	0	110.9	S203 H205 V513 W514	S203-T503 WeakPolarHBondContact CB-OG1 3.39Å; S203-T503 PolarHBondContact N-O 2.73Å; S203-T503 PolarHBondContact O-N 3.47Å; H205-T503 PolarHBondContact NE2-OG1 3.5Å; T503-V513 HydrophobicContact CG2-CG1 4.44Å; T503-W514 CarbonylContact C-O 3.48Å; T503-W514 WeakPolarHBondContact CA-O 3.29Å
504	L	74.7	Confident	73.4	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.2	175.9	-58	163.2	0	0	0	108.1	F168 I202 L502 V513 W514 L694 F705 I758	F168-L504 HydrophobicContact CE1-CD2 4.27Å; F168-L504 HydrophobicContact CE2-CD2 4.48Å; F168-L504 HydrophobicContact CZ-CD2 4.24Å; I202-L504 HydrophobicContact CB-CD2 4.36Å; I202-L504 HydrophobicContact CD1-CD2 4.23Å; I202-L504 HydrophobicContact CG1-CD2 3.67Å; L502-L504 HydrophobicContact CD2-CD1 4.35Å; L502-L504 HydrophobicContact CD2-CD2 3.53Å; L502-L504 HydrophobicContact CD2-CG 3.58Å; L504-V513 WeakPolarHBondContact O-CA 3.39Å; L504-W514 HydrophobicContact CB-CB 4.22Å; L504-W514 HydrophobicContact CD1-CB 4.48Å; L504-W514 PolarHBondContact N-O 3.32Å; L504-W514 PolarHBondContact O-N 2.92Å; L504-L694 HydrophobicContact CD1-CD1 3.79Å; L504-L694 HydrophobicContact CD2-CD1 4.25Å; L504-F705 HydrophobicContact CD1-CD1 3.92Å; L504-F705 HydrophobicContact CD1-CE1 3.88Å; L504-F705 HydrophobicContact CD1-CG 4.43Å; L504-F705 HydrophobicContact CD1-CZ 4.34Å; L504-F705 HydrophobicContact CG-CE1 4.27Å; L504-I758 HydrophobicContact CD1-CD1 4.01Å
505	E	69.5	Low	73.1	Confident	99 Å²	99	43 Å²	43	46%	0.463	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.2	171.7	-62.3	-166.8	178.2	0	0	109.2	G201 V513	G201-E505 PolarHBondContact O-N 3.22Å; E505-V513 HydrophobicContact CG-CG2 4.23Å
506	I	61.7	Low	72.6	Confident	19 Å²	19	43.1 Å²	43.1	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125	179.2	-52.9	-174.4	0	0	0	108.1	H166 G508 L512	H166-I506 HydrophobicContact CB-CD1 3.75Å; I506-G508 PolarHBondContact O-N 2.69Å; I506-L512 PolarHBondContact N-O 3.3Å; I506-L512 VanDerWaalsContact N-O 3.17Å
507	Q	53.4	Low	71.7	Confident	200 Å²	200	45.9 Å²	45.9	94%	0.935	25%	0.245	S	C	*	.	S	Bend	trans	-69.1	98.4	173.8	-66.1	-171.4	5.3	0	0	109.1
508	G	50.9	Low	71.4	Confident	35 Å²	35	53.2 Å²	53.2	36%	0.361	27%	0.272	S	S	.	.	S	Bend	trans	-165.9	156.2	175.9	0	0	0	0	0	109.2	I506 P510 K511	I506-G508 PolarHBondContact O-N 2.69Å; G508-P510 CarbonylContact C-O 3.59Å; G508-P510 CarbonylContact O-C 3.54Å; G508-K511 VanDerWaalsContact O-CA 3.3Å; G508-K511 WeakPolarHBondContact O-CA 3.43Å; G508-K511 PolarHBondContact O-N 3.48Å; G508-K511 VanDerWaalsContact O-N 3.07Å
509	L	43.3	Very low	71.2	Confident	167 Å²	167	54.9 Å²	54.9	87%	0.874	28%	0.28	S	S	*	.	S	Bend	trans	-100.8	124.5	169.6	-81	165.3	0	0	0	108.3
510	P	50.3	Low	70.9	Confident	84 Å²	84	58.6 Å²	58.6	55%	0.545	30%	0.296	S	S	.	.	S	Bend	cis	-70.5	152.2	-4.3	30.4	-34.3	0	0	0	112.2	G508 L512	G508-P510 CarbonylContact C-O 3.59Å; G508-P510 CarbonylContact O-C 3.54Å; P510-L512 HydrophobicContact CG-CD2 4.5Å; P510-L512 PolarHBondContact O-N 3.41Å
511	K	60.1	Low	70.6	Confident	144 Å²	144	60.4 Å²	60.4	63%	0.626	30%	0.303	S	S	*	.			trans	-59.5	115	172.7	-78.5	-172.8	176.5	-172.4	0	108.5	G508 P710	G508-K511 VanDerWaalsContact O-CA 3.3Å; G508-K511 WeakPolarHBondContact O-CA 3.43Å; G508-K511 PolarHBondContact O-N 3.48Å; G508-K511 VanDerWaalsContact O-N 3.07Å; K511-P710 WeakPolarHBondContact O-CD 3.4Å
512	L	60.7	Low	70.2	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.8	177.3	-68.6	171.1	0	0	0	109.4	H166 I506 P510 Q707	H166-L512 VanDerWaalsContact NE2-CD1 3.34Å; H166-L512 WeakPolarHBondContact NE2-CD1 3.41Å; I506-L512 PolarHBondContact N-O 3.3Å; I506-L512 VanDerWaalsContact N-O 3.17Å; P510-L512 HydrophobicContact CG-CD2 4.5Å; P510-L512 PolarHBondContact O-N 3.41Å; L512-Q707 HydrophobicContact CD2-CG 4.07Å
513	V	68.7	Low	70.1	Confident	32 Å²	32	61.7 Å²	61.7	19%	0.194	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.7	176.1	-174.9	0	0	0	0	108.5	T503 L504 E505 S708	T503-V513 HydrophobicContact CG2-CG1 4.44Å; L504-V513 WeakPolarHBondContact O-CA 3.39Å; E505-V513 HydrophobicContact CG-CG2 4.23Å; V513-S708 PolarHBondContact O-N 3.32Å; V513-S708 PolarHBondContact O-OG 2.89Å
514	W	70.3	Confident	70	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.019	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.6	173.3	-62.8	78.6	0	0	0	109.4	T503 L504 F705 T706 Q707 P735 I758 D760	T503-W514 CarbonylContact C-O 3.48Å; T503-W514 WeakPolarHBondContact CA-O 3.29Å; L504-W514 HydrophobicContact CB-CB 4.22Å; L504-W514 HydrophobicContact CD1-CB 4.48Å; L504-W514 PolarHBondContact N-O 3.32Å; L504-W514 PolarHBondContact O-N 2.92Å; W514-F705 HydrophobicContact CB-CB 4.41Å; W514-F705 HydrophobicContact CB-CD1 4.46Å; W514-F705 HydrophobicContact CE3-CB 4.17Å; W514-T706 WeakPolarHBondContact CA-O 3.27Å; W514-Q707 HydrophobicContact CD2-CB 4.06Å; W514-Q707 HydrophobicContact CD2-CG 4.43Å; W514-Q707 HydrophobicContact CE3-CB 3.92Å; W514-Q707 HydrophobicContact CH2-CB 3.87Å; W514-Q707 HydrophobicContact CH2-CG 4.43Å; W514-Q707 HydrophobicContact CZ2-CB 4Å; W514-Q707 HydrophobicContact CZ2-CG 4.09Å; W514-Q707 HydrophobicContact CZ3-CB 3.82Å; W514-P735 HydrophobicContact CZ3-CB 4.22Å; W514-P735 HydrophobicContact CZ3-CG 3.95Å; W514-I758 HydrophobicContact CD2-CD1 4.16Å; W514-I758 HydrophobicContact CD2-CG2 4.14Å; W514-I758 HydrophobicContact CE3-CG2 4.04Å; W514-I758 HydrophobicContact CG-CD1 4.21Å; W514-I758 HydrophobicContact CH2-CG2 3.4Å; W514-I758 HydrophobicContact CZ2-CG2 3.5Å; W514-I758 VanDerWaalsContact CZ2-CG2 3.5Å; W514-I758 HydrophobicContact CZ3-CG2 3.69Å; W514-D760 WeakPolarHBondContact CH2-OD1 3.4Å
515	S	76.2	Confident	69.6	Low	28 Å²	28	65.7 Å²	65.7	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.7	178.4	-173.6	0	0	0	0	110.8	L502 T706	L502-S515 CarbonylContact O-C 3.56Å; L502-S515 WeakPolarHBondContact O-CA 3.24Å; S515-T706 PolarHBondContact N-O 2.95Å; S515-T706 PolarHBondContact O-N 3.1Å; S515-T706 PolarHBondContact O-OG1 2.84Å
516	S	77.8	Confident	69.1	Low	4 Å²	4	68 Å²	68	3%	0.028	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-75	163.5	164.7	79.3	0	0	0	0	110.7	L502	L502-S516 PolarHBondContact N-OG 3.45Å; L502-S516 PolarHBondContact O-N 3.18Å
517	P	74	Confident	68.1	Low	58 Å²	58	71.7 Å²	71.7	38%	0.377	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-55.1	152.7	162	-23.6	30	0	0	0	110.8	L519 T704	P517-L519 PolarHBondContact O-N 3.33Å; P517-T704 WeakPolarHBondContact CD-O 3.39Å
518	R	84.7	Confident	67.3	Low	164 Å²	164	68.5 Å²	68.5	62%	0.619	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-80.4	118	172.9	-63.6	-174.6	178.1	150.1	2.3	109.7	W501	W501-R518 HydrophobicContact CB-CG 4.07Å; W501-R518 HydrophobicContact CD2-CG 3.93Å; W501-R518 HydrophobicContact CE3-CG 3.73Å; W501-R518 HydrophobicContact CG-CG 4.09Å
519	L	82.8	Confident	66.4	Low	35 Å²	35	70.3 Å²	70.3	18%	0.183	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.3	170	-63.6	178.8	0	0	0	109.3	E499 T500 P517 Y521 W559 L703	E499-L519 CarbonylContact C-O 3.44Å; E499-L519 VanDerWaalsContact CA-O 3.23Å; E499-L519 WeakPolarHBondContact CA-O 3.42Å; T500-L519 HydrophobicContact CG2-CB 4.03Å; T500-L519 PolarHBondContact N-O 2.82Å; T500-L519 PolarHBondContact O-N 2.76Å; P517-L519 PolarHBondContact O-N 3.33Å; L519-Y521 HydrophobicContact CB-CE2 3.84Å; L519-Y521 WeakPolarHBondContact CD1-OH 3.39Å; L519-W559 HydrophobicContact CD1-CH2 3.96Å; L519-W559 HydrophobicContact CD1-CZ2 4.25Å; L519-W559 HydrophobicContact CD1-CZ3 4.36Å; L519-L703 HydrophobicContact CD1-CD1 4.1Å; L519-L703 HydrophobicContact CD1-CD2 4.49Å; L519-L703 HydrophobicContact CD2-CD2 3.93Å; L519-L703 HydrophobicContact CG-CD1 4.49Å; L519-L703 HydrophobicContact CG-CD2 4.41Å
520	K	85.4	Confident	65.7	Low	104 Å²	104	72.6 Å²	72.6	45%	0.452	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	-177.5	-172.4	179.5	-179.7	-177.1	0	110.9	T497 I498 E499	T497-K520 HydrophobicContact CG2-CD 4.3Å; T497-K520 HydrophobicContact CG2-CG 3.81Å; I498-K520 CarbonylContact O-C 3.55Å; I498-K520 VanDerWaalsContact O-CA 3.27Å; I498-K520 WeakPolarHBondContact O-CA 3.44Å; E499-K520 HydrophobicContact CG-CB 4.33Å; E499-K520 HydrophobicContact CG-CD 4.48Å; E499-K520 HydrophobicContact CG-CG 4.02Å
521	Y	83.3	Confident	64.9	Low	38 Å²	38	72 Å²	72	15%	0.149	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.4	179.8	-52.6	-76.8	0	0	0	110.3	V79 T497 I498 T500 L519 L558	V79-Y521 HydrophobicContact CG2-CD1 3.67Å; V79-Y521 HydrophobicContact CG2-CE1 4Å; T497-Y521 CarbonylContact C-O 3.59Å; T497-Y521 VanDerWaalsContact CA-O 3.26Å; T497-Y521 WeakPolarHBondContact CA-O 3.4Å; T497-Y521 WeakPolarHBondContact CG2-O 3.31Å; I498-Y521 HydrophobicContact CB-CD2 4.32Å; I498-Y521 HydrophobicContact CG2-CD2 4.37Å; I498-Y521 PolarHBondContact N-O 2.99Å; I498-Y521 PolarHBondContact O-N 3.35Å; T500-Y521 HydrophobicContact CG2-CE2 3.91Å; L519-Y521 HydrophobicContact CB-CE2 3.84Å; L519-Y521 WeakPolarHBondContact CD1-OH 3.39Å; Y521-L558 HydrophobicContact CD2-CD2 4.33Å; Y521-L558 HydrophobicContact CE2-CD2 4.23Å
522	N	80.9	Confident	63.5	Low	45 Å²	45	71 Å²	71	24%	0.241	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119	171.7	-70.5	-36.1	0	0	0	109.1	T497	T497-N522 VanDerWaalsContact CG2-OD1 3.3Å; T497-N522 WeakPolarHBondContact CG2-OD1 3.38Å; T497-N522 PolarHBondContact OG1-OD1 3.14Å
523	I	81.4	Confident	62.2	Low	8 Å²	8	81.2 Å²	81.2	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.2	-177.6	-51.6	-42.5	0	0	0	108.3	I494 I495 Y496 I498 F550 L556	I494-I523 CarbonylContact C-O 3.57Å; I494-I523 WeakPolarHBondContact CA-O 3.3Å; I495-I523 PolarHBondContact N-O 3.05Å; Y496-I523 HydrophobicContact CD2-CB 4.03Å; Y496-I523 HydrophobicContact CD2-CG1 3.77Å; Y496-I523 HydrophobicContact CE2-CB 3.89Å; Y496-I523 HydrophobicContact CE2-CG1 3.51Å; Y496-I523 HydrophobicContact CE2-CG2 4.22Å; Y496-I523 PolarHBondContact O-N 3.48Å; I498-I523 HydrophobicContact CD1-CD1 4.3Å; I498-I523 HydrophobicContact CD1-CG1 4.08Å; I498-I523 HydrophobicContact CG1-CG1 4.36Å; I523-F550 HydrophobicContact CG2-CE1 4.1Å; I523-F550 HydrophobicContact CG2-CZ 4.2Å; I523-L556 HydrophobicContact CD1-CD2 3.25Å; I523-L556 HydrophobicContact CG1-CD1 4.35Å; I523-L556 HydrophobicContact CG1-CD2 3.65Å; I523-L556 HydrophobicContact CG2-CD1 4.33Å; I523-L556 HydrophobicContact CG2-CD2 4.15Å
524	Q	79	Confident	60.7	Low	88 Å²	88	90.5 Å²	90.5	41%	0.411	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.4	-171.1	-64.7	-174.8	3.4	0	0	111.3	K493 I494	K493-Q524 VanDerWaalsContact O-CA 3.24Å; K493-Q524 WeakPolarHBondContact O-CA 3.21Å; K493-Q524 VanDerWaalsContact O-CB 3.25Å; K493-Q524 WeakPolarHBondContact O-CB 3.23Å; K493-Q524 WeakPolarHBondContact O-CG 3.32Å; I494-Q524 HydrophobicContact CB-CG 4.45Å; I494-Q524 HydrophobicContact CG1-CG 3.74Å
525	L	67.7	Low	59.1	Low	10 Å²	10	100.6 Å²	100.6	5%	0.052	49%	0.493	C	S	.	.			trans	-73.9	137	164.3	-71.1	167.5	0	0	0	108	P491 P492 K493 I495 S527 E547 F550 L551	P491-L525 HydrophobicContact CB-CD1 3.57Å; P492-L525 HydrophobicContact CG-CD1 4.47Å; P492-L525 WeakPolarHBondContact O-CD1 3.39Å; K493-L525 PolarHBondContact O-N 3.35Å; I495-L525 HydrophobicContact CD1-CD2 3.91Å; I495-L525 HydrophobicContact CD1-CG 3.93Å; I495-L525 HydrophobicContact CG1-CG 4.03Å; L525-S527 PolarHBondContact O-N 2.02Å; L525-E547 HydrophobicContact CD2-CB 4.25Å; L525-E547 WeakPolarHBondContact CD2-O 3.25Å; L525-F550 HydrophobicContact CD2-CB 4.24Å; L525-F550 HydrophobicContact CD2-CD1 3.8Å; L525-L551 HydrophobicContact CD2-CB 4.45Å
526	M	57.6	Low	57.3	Low	148 Å²	148	102 Å²	102	73%	0.729	50%	0.503	S	S	*	.			trans	-60.9	95.6	-176.4	-76.6	-143.2	-62.6	0	0	111.9	N528 E547	M526-N528 PolarHBondContact O-N 2.83Å; M526-E547 VanDerWaalsContact O-OE1 3.14Å
527	S	42.1	Very low	55.5	Low	96 Å²	96	110.1 Å²	110.1	67%	0.671	55%	0.545	S	S	*	.			trans	-79.8	103	172.5	149.5	0	0	0	0	110.2	L525 G529	L525-S527 PolarHBondContact O-N 2.02Å; S527-G529 PolarHBondContact O-N 2.92Å
528	N	35.3	Very low	54	Low	133 Å²	133	115 Å²	115	71%	0.711	56%	0.561	S	S	*	*			trans	50.3	55.4	150	-71.9	-31.7	0	0	0	117.3	M526 R530	M526-N528 PolarHBondContact O-N 2.83Å; N528-R530 VanDerWaalsContact C-N 3.34Å; N528-R530 PolarHBondContact O-N 2.9Å
529	G	32	Very low	51.7	Low	73 Å²	73	109.6 Å²	109.6	75%	0.753	55%	0.546	S	S	*	.			trans	-76.5	91.7	146.4	0	0	0	0	0	107.7	S527 P531	S527-G529 PolarHBondContact O-N 2.92Å; G529-P531 WeakPolarHBondContact O-CD 3.36Å
530	R	29.2	Very low	49.6	Very low	214 Å²	214	113.7 Å²	113.7	81%	0.808	57%	0.568	S	S	*	*			trans	-43.1	110.9	175.1	-79	177.1	176.6	159.6	0.7	109.1	N528	N528-R530 VanDerWaalsContact C-N 3.34Å; N528-R530 PolarHBondContact O-N 2.9Å
531	P	32.9	Very low	47.5	Very low	72 Å²	72	115.9 Å²	115.9	47%	0.468	58%	0.575	S	S	.	*			trans	-59.7	139.4	169.3	23.7	-29.7	0	0	0	107	G529 R533 V539	G529-P531 WeakPolarHBondContact O-CD 3.36Å; P531-R533 PolarHBondContact O-N 2.96Å; P531-V539 HydrophobicContact CG-CG1 3.98Å
532	P	32.4	Very low	45.8	Very low	122 Å²	122	118.4 Å²	118.4	79%	0.792	59%	0.59	S	S	*	*	S	Bend	trans	-53.1	116.6	-172.2	19.8	-30.5	0	0	0	108.8	R534	P532-R534 PolarHBondContact O-N 2.81Å
533	R	32.4	Very low	44.2	Very low	229 Å²	229	118.7 Å²	118.7	86%	0.864	59%	0.592	S	S	*	*			trans	-28.1	90.6	-175.2	-75.5	175.2	168.6	163.2	-4.6	112.7	P531	P531-R533 PolarHBondContact O-N 2.96Å
534	R	37.4	Very low	42.9	Very low	226 Å²	226	122.7 Å²	122.7	85%	0.853	61%	0.61	S	S	*	*			trans	-101.9	111.9	152.7	-82.2	-172.6	175.8	174.5	-0	105.9	P532 S536	P532-R534 PolarHBondContact O-N 2.81Å; R534-S536 VanDerWaalsContact C-N 3.3Å; R534-S536 PolarHBondContact O-N 2.94Å
535	K	36.8	Very low	42.2	Very low	218 Å²	218	120.3 Å²	120.3	95%	0.948	60%	0.602	S	S	*	*			trans	-53.4	93.5	175.7	-73.1	177.5	174.2	178.9	0	108.9
536	S	38.7	Very low	42	Very low	58 Å²	58	123.8 Å²	123.8	41%	0.406	62%	0.62	S	S	.	*			trans	-149.5	105	174.6	169.1	0	0	0	0	105.9	R534 K538 V539	R534-S536 VanDerWaalsContact C-N 3.3Å; R534-S536 PolarHBondContact O-N 2.94Å; S536-K538 PolarHBondContact O-N 2.67Å; S536-V539 WeakPolarHBondContact O-CG2 3.37Å; S536-V539 PolarHBondContact O-N 2.73Å
537	N	39.7	Very low	42.6	Very low	173 Å²	173	118.8 Å²	118.8	93%	0.925	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	1.1	176.4	-68.2	-10.2	0	0	0	112.9
538	K	41.8	Very low	44	Very low	161 Å²	161	115.5 Å²	115.5	70%	0.7	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-20	173.7	-83.3	-176.7	169.6	-176.3	0	114	S536 D540 Y541	S536-K538 PolarHBondContact O-N 2.67Å; K538-D540 PolarHBondContact O-N 3.28Å; K538-Y541 PolarHBondContact O-N 3.13Å
539	V	37.3	Very low	45.9	Very low	51 Å²	51	114.2 Å²	114.2	31%	0.309	56%	0.558	S	S	.	*	H	α-helix	trans	-67.8	-33.5	-169.6	-179.4	0	0	0	0	113	P531 S536 Y541 D542 I543	P531-V539 HydrophobicContact CG-CG1 3.98Å; S536-V539 WeakPolarHBondContact O-CG2 3.37Å; S536-V539 PolarHBondContact O-N 2.73Å; V539-Y541 PolarHBondContact O-N 2.85Å; V539-D542 PolarHBondContact O-N 3.14Å; V539-I543 HydrophobicContact CG1-CD1 3.82Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 WeakPolarHBondContact O-CG1 3.49Å; V539-I543 PolarHBondContact O-N 3.23Å
540	D	38.6	Very low	48.1	Very low	121 Å²	121	112.6 Å²	112.6	65%	0.647	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-36.1	-178	-77.8	-16	0	0	0	112.9	K538 Q544	K538-D540 PolarHBondContact O-N 3.28Å; D540-Q544 PolarHBondContact O-N 3.22Å
541	Y	41.5	Very low	50.6	Low	150 Å²	150	102.5 Å²	102.5	59%	0.588	49%	0.493	S	S	*	.	H	α-helix	trans	-68.5	-42.5	178.8	-167.7	-98.8	0	0	0	111.2	K538 V539 I543 Q544 T545	K538-Y541 PolarHBondContact O-N 3.13Å; V539-Y541 PolarHBondContact O-N 2.85Å; Y541-I543 VanDerWaalsContact C-N 3.33Å; Y541-I543 PolarHBondContact O-N 3.44Å; Y541-Q544 PolarHBondContact O-N 2.93Å; Y541-T545 HydrophobicContact CD1-CG2 4.26Å; Y541-T545 HydrophobicContact CE1-CG2 4.01Å; Y541-T545 WeakPolarHBondContact O-CG2 3.36Å; Y541-T545 PolarHBondContact O-N 2.99Å; Y541-T545 VanDerWaalsContact O-N 3.16Å; Y541-T545 PolarHBondContact O-OG1 3.2Å
542	D	47.3	Very low	53.1	Low	90 Å²	90	102.3 Å²	102.3	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-38.8	179.6	-67.6	-22.2	0	0	0	111.3	V539 T545 L546	V539-D542 PolarHBondContact O-N 3.14Å; D542-T545 PolarHBondContact O-N 3.18Å; D542-T545 PolarHBondContact O-OG1 2.6Å; D542-L546 PolarHBondContact O-N 2.91Å; D542-L546 VanDerWaalsContact O-N 3.11Å
543	I	47.9	Very low	55.7	Low	52 Å²	52	100.5 Å²	100.5	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-64.6	-46.8	177.8	-66.5	169.2	0	0	0	111.6	V539 Y541 T545 L546 E547	V539-I543 HydrophobicContact CG1-CD1 3.82Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 WeakPolarHBondContact O-CG1 3.49Å; V539-I543 PolarHBondContact O-N 3.23Å; Y541-I543 VanDerWaalsContact C-N 3.33Å; Y541-I543 PolarHBondContact O-N 3.44Å; I543-T545 VanDerWaalsContact C-N 3.27Å; I543-T545 PolarHBondContact O-N 2.86Å; I543-L546 PolarHBondContact O-N 3.5Å; I543-L546 VanDerWaalsContact O-N 3.14Å; I543-E547 PolarHBondContact O-N 2.81Å
544	Q	53.5	Low	58.2	Low	91 Å²	91	89.8 Å²	89.8	43%	0.425	43%	0.426	S	S	.	.	H	α-helix	trans	-59.6	-39.9	178.1	-74.9	-179.2	-19.8	0	0	111.6	D540 Y541 L546 E547 Q548	D540-Q544 PolarHBondContact O-N 3.22Å; Y541-Q544 PolarHBondContact O-N 2.93Å; Q544-L546 PolarHBondContact O-N 3.21Å; Q544-E547 PolarHBondContact O-N 2.94Å; Q544-Q548 WeakPolarHBondContact O-CG 3.46Å; Q544-Q548 PolarHBondContact O-N 3.33Å; Q544-Q548 VanDerWaalsContact O-N 3.08Å
545	T	63.9	Low	60.3	Low	39 Å²	39	82.6 Å²	82.6	24%	0.239	40%	0.404	C	S	.	.	H	α-helix	trans	-65.6	-36.4	177.1	61	0	0	0	0	112.9	Y541 D542 I543 Q549	Y541-T545 HydrophobicContact CD1-CG2 4.26Å; Y541-T545 HydrophobicContact CE1-CG2 4.01Å; Y541-T545 WeakPolarHBondContact O-CG2 3.36Å; Y541-T545 PolarHBondContact O-N 2.99Å; Y541-T545 VanDerWaalsContact O-N 3.16Å; Y541-T545 PolarHBondContact O-OG1 3.2Å; D542-T545 PolarHBondContact O-N 3.18Å; D542-T545 PolarHBondContact O-OG1 2.6Å; I543-T545 VanDerWaalsContact C-N 3.27Å; I543-T545 PolarHBondContact O-N 2.86Å; T545-Q549 WeakPolarHBondContact O-CB 3.32Å; T545-Q549 VanDerWaalsContact O-CG 3.23Å; T545-Q549 WeakPolarHBondContact O-CG 3.46Å; T545-Q549 PolarHBondContact O-N 3.07Å
546	L	64.7	Low	62.6	Low	82 Å²	82	72.4 Å²	72.4	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176.1	-81.3	160	0	0	0	112.2	D542 I543 Q544 Q548 Q549 F550	D542-L546 PolarHBondContact O-N 2.91Å; D542-L546 VanDerWaalsContact O-N 3.11Å; I543-L546 PolarHBondContact O-N 3.5Å; I543-L546 VanDerWaalsContact O-N 3.14Å; Q544-L546 PolarHBondContact O-N 3.21Å; L546-Q548 VanDerWaalsContact C-N 3.34Å; L546-Q548 PolarHBondContact O-N 3.4Å; L546-Q549 PolarHBondContact O-N 2.73Å; L546-F550 PolarHBondContact O-N 3.2Å
547	E	69.6	Low	64.6	Low	44 Å²	44	73.8 Å²	73.8	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-44.3	176	-71.1	-175.8	160.7	0	0	111.4	L525 M526 I543 Q544 Q549 F550 L551	L525-E547 HydrophobicContact CD2-CB 4.25Å; L525-E547 WeakPolarHBondContact CD2-O 3.25Å; M526-E547 VanDerWaalsContact O-OE1 3.14Å; I543-E547 PolarHBondContact O-N 2.81Å; Q544-E547 PolarHBondContact O-N 2.94Å; E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.94Å; E547-F550 PolarHBondContact O-N 3.15Å; E547-L551 WeakPolarHBondContact O-CB 3.14Å; E547-L551 PolarHBondContact O-N 3.41Å
548	Q	70.8	Confident	66.6	Low	26 Å²	26	66.1 Å²	66.1	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-37.8	175.3	-71.4	176.3	5.2	0	0	112.5	Q544 L546 K552 I573 D575	Q544-Q548 WeakPolarHBondContact O-CG 3.46Å; Q544-Q548 PolarHBondContact O-N 3.33Å; Q544-Q548 VanDerWaalsContact O-N 3.08Å; L546-Q548 VanDerWaalsContact C-N 3.34Å; L546-Q548 PolarHBondContact O-N 3.4Å; Q548-K552 WeakPolarHBondContact O-CB 2.9Å; Q548-K552 WeakPolarHBondContact O-CG 3.2Å; Q548-K552 PolarHBondContact O-N 3.09Å; Q548-I573 HydrophobicContact CG-CG2 4.33Å; Q548-D575 PolarHBondContact NE2-OD1 3.48Å; Q548-D575 PolarHBondContact NE2-OD2 3.29Å
549	Q	76.1	Confident	68.3	Low	106 Å²	106	59 Å²	59	50%	0.495	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-45.7	176.3	-79.4	175.4	4.5	0	0	111.3	T545 L546 E547 K552 H553	T545-Q549 WeakPolarHBondContact O-CB 3.32Å; T545-Q549 VanDerWaalsContact O-CG 3.23Å; T545-Q549 WeakPolarHBondContact O-CG 3.46Å; T545-Q549 PolarHBondContact O-N 3.07Å; L546-Q549 PolarHBondContact O-N 2.73Å; E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.94Å; Q549-K552 WeakPolarHBondContact O-CB 3.36Å; Q549-K552 PolarHBondContact O-N 2.88Å; Q549-K552 VanDerWaalsContact O-N 3.13Å; Q549-H553 PolarHBondContact O-N 2.81Å
550	F	76.9	Confident	70	Confident	39 Å²	39	60.2 Å²	60.2	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-41.3	178.6	-170.8	-105.8	0	0	0	111.6	I495 I523 L525 L546 E547 K552 H553 H567	I495-F550 HydrophobicContact CD1-CD1 3.53Å; I495-F550 HydrophobicContact CD1-CE1 3.48Å; I495-F550 VanDerWaalsContact CD1-CE1 3.48Å; I523-F550 HydrophobicContact CG2-CE1 4.1Å; I523-F550 HydrophobicContact CG2-CZ 4.2Å; L525-F550 HydrophobicContact CD2-CB 4.24Å; L525-F550 HydrophobicContact CD2-CD1 3.8Å; L546-F550 PolarHBondContact O-N 3.2Å; E547-F550 PolarHBondContact O-N 3.15Å; F550-K552 PolarHBondContact O-N 3.39Å; F550-H553 CarbonylContact O-C 3.59Å; F550-H553 VanDerWaalsContact O-C 3.28Å; F550-H553 PolarHBondContact O-N 3.27Å; F550-H567 PolarHBondContact O-NE2 3.13Å
551	L	81.9	Confident	71.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-31	174.2	-171.4	63.1	0	0	0	112.3	L213 P492 I495 L525 E547 I573	L213-L551 HydrophobicContact CD2-CD1 4.47Å; P492-L551 HydrophobicContact CG-CD1 4.21Å; I495-L551 HydrophobicContact CD1-CD1 4.32Å; I495-L551 HydrophobicContact CG1-CD1 4.47Å; I495-L551 HydrophobicContact CG2-CD1 4.15Å; L525-L551 HydrophobicContact CD2-CB 4.45Å; E547-L551 WeakPolarHBondContact O-CB 3.14Å; E547-L551 PolarHBondContact O-N 3.41Å; L551-I573 HydrophobicContact CB-CD1 4.3Å; L551-I573 HydrophobicContact CD2-CD1 3.69Å; L551-I573 HydrophobicContact CG-CD1 3.92Å
552	K	86.3	Confident	73.4	Confident	68 Å²	68	52.3 Å²	52.3	30%	0.296	26%	0.259	S	S	.	.	H	α-helix	trans	-73	-41	175.1	-83.3	175.9	-179.5	165.6	0	113.1	Q548 Q549 F550 K568 T569 I573	Q548-K552 WeakPolarHBondContact O-CB 2.9Å; Q548-K552 WeakPolarHBondContact O-CG 3.2Å; Q548-K552 PolarHBondContact O-N 3.09Å; Q549-K552 WeakPolarHBondContact O-CB 3.36Å; Q549-K552 PolarHBondContact O-N 2.88Å; Q549-K552 VanDerWaalsContact O-N 3.13Å; F550-K552 PolarHBondContact O-N 3.39Å; K552-K568 CarbonylContact O-C 3.5Å; K552-K568 VanDerWaalsContact O-CA 3.28Å; K552-K568 WeakPolarHBondContact O-CA 3.48Å; K552-T569 HydrophobicContact CB-CG2 4.41Å; K552-T569 HydrophobicContact CG-CG2 4.17Å; K552-T569 PolarHBondContact O-N 2.91Å; K552-I573 HydrophobicContact CG-CD1 3.99Å; K552-I573 HydrophobicContact CG-CG1 4.3Å
553	H	86	Confident	75.2	Confident	85 Å²	85	48 Å²	48	39%	0.394	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	125.2	-177.5	176.7	-133	0	0	0	110.4	Q549 F550 E566 H567	Q549-H553 PolarHBondContact O-N 2.81Å; F550-H553 CarbonylContact O-C 3.59Å; F550-H553 VanDerWaalsContact O-C 3.28Å; F550-H553 PolarHBondContact O-N 3.27Å; H553-E566 IonicContact CD2-OE1 2.65Å; H553-E566 IonicContact NE2-OE1 2.78Å; H553-E566 PolarHBondContact NE2-OE1 2.87Å; H553-H567 WeakPolarHBondContact CA-O 2.98Å; H553-H567 PolarHBondContact CD2-O 3.38Å
554	G	84.8	Confident	76.9	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145	175.6	0	0	0	0	0	111.6	E566 H567	G554-E566 WeakPolarHBondContact O-CA 3.29Å; G554-H567 VanDerWaalsContact CA-CE1 3.47Å; G554-H567 WeakPolarHBondContact CA-CE1 3.38Å; G554-H567 PolarHBondContact N-NE2 2.68Å; G554-H567 PolarHBondContact N-O 3.34Å; G554-H567 VanDerWaalsContact N-O 3.07Å; G554-H567 PolarHBondContact O-N 2.73Å; G554-H567 PolarHBondContact O-ND1 3Å
555	I	82.2	Confident	78.6	Confident	75 Å²	75	44.1 Å²	44.1	39%	0.385	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.8	178.7	-59.1	172.6	0	0	0	108	L557 L565 E566	I555-L557 HydrophobicContact CG2-CD2 4.15Å; I555-L565 CarbonylContact C-O 3.48Å; I555-L565 WeakPolarHBondContact CA-O 3.29Å; I555-E566 HydrophobicContact CG1-CB 4.41Å; I555-E566 HydrophobicContact CG1-CG 4.13Å
556	L	84.4	Confident	79.7	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.6	172.9	-69.5	116	0	0	0	110.3	I81 Y496 I498 I523 Y564 L565	I81-L556 HydrophobicContact CD1-CB 4.28Å; I81-L556 HydrophobicContact CD1-CD2 3.48Å; I81-L556 VanDerWaalsContact CD1-CD2 3.48Å; I81-L556 HydrophobicContact CD1-CG 3.75Å; Y496-L556 HydrophobicContact CE2-CD1 3.87Å; Y496-L556 WeakPolarHBondContact OH-CD1 3.46Å; I498-L556 HydrophobicContact CD1-CD1 4.48Å; I498-L556 HydrophobicContact CD1-CD2 4.28Å; I523-L556 HydrophobicContact CD1-CD2 3.25Å; I523-L556 HydrophobicContact CG1-CD1 4.35Å; I523-L556 HydrophobicContact CG1-CD2 3.65Å; I523-L556 HydrophobicContact CG2-CD1 4.33Å; I523-L556 HydrophobicContact CG2-CD2 4.15Å; L556-Y564 CarbonylContact O-C 3.57Å; L556-Y564 WeakPolarHBondContact O-CA 3.29Å; L556-L565 HydrophobicContact CB-CB 4.35Å; L556-L565 HydrophobicContact CD1-CD2 3.87Å; L556-L565 PolarHBondContact N-O 3.3Å; L556-L565 PolarHBondContact O-N 3.24Å
557	L	81.8	Confident	81	Confident	87 Å²	87	40.3 Å²	40.3	46%	0.455	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.8	177.7	-52.6	179.4	0	0	0	108.4	I555 E561 Y564	I555-L557 HydrophobicContact CG2-CD2 4.15Å; L557-E561 HydrophobicContact CB-CG 4.37Å; L557-E561 HydrophobicContact CD1-CG 4.03Å; L557-Y564 HydrophobicContact CD2-CD1 3.12Å; L557-Y564 HydrophobicContact CD2-CE1 3.48Å; L557-Y564 VanDerWaalsContact CD2-CE1 3.48Å; L557-Y564 HydrophobicContact CD2-CG 4.15Å
558	L	81.7	Confident	82	Confident	11 Å²	11	43.8 Å²	43.8	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	154.8	177.8	-58	177.3	0	0	0	109.3	I206 I498 Y521 N560 E561 N562 I563	I206-L558 HydrophobicContact CD1-CD1 4.43Å; I498-L558 HydrophobicContact CD1-CD2 4.48Å; I498-L558 HydrophobicContact CG2-CD1 4.28Å; Y521-L558 HydrophobicContact CD2-CD2 4.33Å; Y521-L558 HydrophobicContact CE2-CD2 4.23Å; L558-N560 PolarHBondContact O-N 2.86Å; L558-E561 PolarHBondContact O-N 2.99Å; L558-N562 PolarHBondContact O-N 2.99Å; L558-I563 HydrophobicContact CB-CB 4.28Å; L558-I563 HydrophobicContact CB-CG2 4.47Å; L558-I563 PolarHBondContact N-O 3.34Å; L558-I563 PolarHBondContact O-N 3.09Å
559	W	76.5	Confident	82.8	Confident	11 Å²	11	42.9 Å²	42.9	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	55.3	173.7	-58.1	99.5	0	0	0	113	T500 L502 L519 E561 N562 I563 L693 T696 A697 L703	T500-W559 HydrophobicContact CG2-CZ2 4.03Å; T500-W559 PolarHBondContact OG1-NE1 3.39Å; L502-W559 HydrophobicContact CB-CH2 4.34Å; L519-W559 HydrophobicContact CD1-CH2 3.96Å; L519-W559 HydrophobicContact CD1-CZ2 4.25Å; L519-W559 HydrophobicContact CD1-CZ3 4.36Å; W559-E561 PolarHBondContact O-N 3.26Å; W559-N562 WeakPolarHBondContact O-CB 3.42Å; W559-N562 PolarHBondContact O-N 2.94Å; W559-N562 PolarHBondContact O-ND2 2.68Å; W559-I563 HydrophobicContact CB-CD1 4.49Å; W559-I563 HydrophobicContact CG-CD1 4.28Å; W559-L693 HydrophobicContact CB-CD2 4.27Å; W559-T696 VanDerWaalsContact C-CG2 3.49Å; W559-T696 HydrophobicContact CB-CG2 4.28Å; W559-T696 HydrophobicContact CE3-CG2 4.34Å; W559-A697 HydrophobicContact CE3-CB 4.36Å; W559-A697 HydrophobicContact CZ3-CB 3.68Å; W559-L703 HydrophobicContact CH2-CD1 3.59Å; W559-L703 HydrophobicContact CZ3-CD1 3.63Å
560	N	73.9	Confident	83.3	Confident	78 Å²	78	39.7 Å²	39.7	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	51.7	179.2	-167.2	57.3	0	0	0	112.3	L558 N562 T696 L700	L558-N560 PolarHBondContact O-N 2.86Å; N560-N562 PolarHBondContact O-N 2.78Å; N560-N562 VanDerWaalsContact O-N 3.1Å; N560-T696 HydrophobicContact CB-CG2 3.54Å; N560-L700 HydrophobicContact CB-CD1 3.8Å
561	E	75.2	Confident	83.8	Confident	105 Å²	105	38.1 Å²	38.1	49%	0.491	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	5.3	178.4	-45.4	-178	176.2	0	0	115.2	L557 L558 W559 I563 Y564	L557-E561 HydrophobicContact CB-CG 4.37Å; L557-E561 HydrophobicContact CD1-CG 4.03Å; L558-E561 PolarHBondContact O-N 2.99Å; W559-E561 PolarHBondContact O-N 3.26Å; E561-I563 VanDerWaalsContact C-N 3.26Å; E561-I563 PolarHBondContact O-N 3.1Å; E561-Y564 VanDerWaalsContact O-CE2 3.27Å; E561-Y564 WeakPolarHBondContact O-CE2 3.25Å; E561-Y564 PolarHBondContact O-OH 2.83Å
562	N	77.1	Confident	84.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.5	176	-68.1	-54.8	0	0	0	112.7	L558 W559 N560 S687 H688 N690 H691 L693 T696	L558-N562 PolarHBondContact O-N 2.99Å; W559-N562 WeakPolarHBondContact O-CB 3.42Å; W559-N562 PolarHBondContact O-N 2.94Å; W559-N562 PolarHBondContact O-ND2 2.68Å; N560-N562 PolarHBondContact O-N 2.78Å; N560-N562 VanDerWaalsContact O-N 3.1Å; N562-S687 CarbonylContact O-C 3.59Å; N562-S687 WeakPolarHBondContact O-CA 3.45Å; N562-H688 WeakPolarHBondContact CA-O 3Å; N562-H688 CarbonylContact O-C 3Å; N562-H688 PolarHBondContact O-N 2.88Å; N562-N690 PolarHBondContact OD1-N 2.7Å; N562-H691 PolarHBondContact ND2-O 2.71Å; N562-H691 PolarHBondContact OD1-N 3.05Å; N562-H691 PolarHBondContact OD1-O 2.04Å; N562-L693 HydrophobicContact CB-CD2 3.78Å; N562-T696 PolarHBondContact ND2-OG1 3.41Å
563	I	83	Confident	84.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.9	-178.5	-64.2	166.8	0	0	0	109.6	L196 V204 I206 L558 W559 E561 I685 K686 L693	L196-I563 HydrophobicContact CD1-CD1 3.64Å; L196-I563 HydrophobicContact CD1-CG1 3.94Å; L196-I563 HydrophobicContact CD1-CG2 4.2Å; V204-I563 HydrophobicContact CB-CD1 4.13Å; V204-I563 HydrophobicContact CG1-CD1 3.75Å; V204-I563 HydrophobicContact CG2-CD1 4.1Å; I206-I563 HydrophobicContact CD1-CG2 3.82Å; L558-I563 HydrophobicContact CB-CB 4.28Å; L558-I563 HydrophobicContact CB-CG2 4.47Å; L558-I563 PolarHBondContact N-O 3.34Å; L558-I563 PolarHBondContact O-N 3.09Å; W559-I563 HydrophobicContact CB-CD1 4.49Å; W559-I563 HydrophobicContact CG-CD1 4.28Å; E561-I563 VanDerWaalsContact C-N 3.26Å; E561-I563 PolarHBondContact O-N 3.1Å; I563-I685 HydrophobicContact CG2-CG2 3.74Å; I563-K686 WeakPolarHBondContact CA-O 3.36Å; I563-L693 HydrophobicContact CD1-CD2 4.43Å
564	Y	85.2	Confident	84.5	Confident	60 Å²	60	33.6 Å²	33.6	24%	0.235	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.8	178.9	-45.2	-103.3	0	0	0	108.1	L556 L557 E561 I685 K686 H688	L556-Y564 CarbonylContact O-C 3.57Å; L556-Y564 WeakPolarHBondContact O-CA 3.29Å; L557-Y564 HydrophobicContact CD2-CD1 3.12Å; L557-Y564 HydrophobicContact CD2-CE1 3.48Å; L557-Y564 VanDerWaalsContact CD2-CE1 3.48Å; L557-Y564 HydrophobicContact CD2-CG 4.15Å; E561-Y564 VanDerWaalsContact O-CE2 3.27Å; E561-Y564 WeakPolarHBondContact O-CE2 3.25Å; E561-Y564 PolarHBondContact O-OH 2.83Å; Y564-I685 CarbonylContact O-C 3.56Å; Y564-I685 WeakPolarHBondContact O-CA 3.35Å; Y564-K686 HydrophobicContact CD2-CB 4.44Å; Y564-K686 PolarHBondContact N-O 3.05Å; Y564-K686 PolarHBondContact O-N 2.84Å; Y564-H688 HydrophobicContact CE2-CB 3.53Å
565	L	87.7	Confident	84.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.2	168	-175.7	158.6	0	0	0	107.8	I206 V208 Y496 I498 I555 L556 I683 E684 I685	I206-L565 HydrophobicContact CG2-CD1 4.5Å; V208-L565 HydrophobicContact CG2-CD1 3.7Å; Y496-L565 HydrophobicContact CE2-CD2 4.15Å; Y496-L565 WeakPolarHBondContact OH-CD2 3.28Å; I498-L565 HydrophobicContact CD1-CD1 3.91Å; I498-L565 HydrophobicContact CG1-CD1 4.3Å; I555-L565 CarbonylContact C-O 3.48Å; I555-L565 WeakPolarHBondContact CA-O 3.29Å; L556-L565 HydrophobicContact CB-CB 4.35Å; L556-L565 HydrophobicContact CD1-CD2 3.87Å; L556-L565 PolarHBondContact N-O 3.3Å; L556-L565 PolarHBondContact O-N 3.24Å; L565-I683 HydrophobicContact CD1-CG2 4.21Å; L565-I683 HydrophobicContact CD2-CG2 3.9Å; L565-I683 HydrophobicContact CG-CG2 3.86Å; L565-E684 WeakPolarHBondContact CA-O 3.49Å; L565-I685 HydrophobicContact CD1-CD1 4.36Å; L565-I685 HydrophobicContact CD1-CG1 4.48Å; L565-I685 HydrophobicContact CG-CG1 4.35Å
566	E	88.8	Confident	85.2	Confident	42 Å²	42	35 Å²	35	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125	177.4	-177.8	-176.7	169.6	0	0	108.4	H553 G554 I555 I683 E684 K686	H553-E566 IonicContact CD2-OE1 2.65Å; H553-E566 IonicContact NE2-OE1 2.78Å; H553-E566 PolarHBondContact NE2-OE1 2.87Å; G554-E566 WeakPolarHBondContact O-CA 3.29Å; I555-E566 HydrophobicContact CG1-CB 4.41Å; I555-E566 HydrophobicContact CG1-CG 4.13Å; E566-I683 WeakPolarHBondContact O-CA 2.98Å; E566-E684 PolarHBondContact N-O 3.44Å; E566-E684 PolarHBondContact O-N 3.43Å; E566-K686 IonicContact OE2-NZ 2.81Å; E566-K686 PolarHBondContact OE2-NZ 3.36Å
567	H	91.1	Very high	85.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.8	167.1	73.8	-102	0	0	0	110.1	L213 Y496 F550 H553 G554 T682 I683	L213-H567 HydrophobicContact CD1-CB 3.69Å; L213-H567 HydrophobicContact CD2-CB 4.2Å; L213-H567 WeakPolarHBondContact CD2-CD2 3.36Å; Y496-H567 HydrophobicContact CE1-CB 4.33Å; Y496-H567 AromaticContact CE1-ND1 3.67Å; Y496-H567 AromaticContact CZ-ND1 3.66Å; Y496-H567 PolarHBondContact OH-ND1 3.21Å; F550-H567 PolarHBondContact O-NE2 3.13Å; H553-H567 WeakPolarHBondContact CA-O 2.98Å; H553-H567 PolarHBondContact CD2-O 3.38Å; G554-H567 VanDerWaalsContact CA-CE1 3.47Å; G554-H567 WeakPolarHBondContact CA-CE1 3.38Å; G554-H567 PolarHBondContact N-NE2 2.68Å; G554-H567 PolarHBondContact N-O 3.34Å; G554-H567 VanDerWaalsContact N-O 3.07Å; G554-H567 PolarHBondContact O-N 2.73Å; G554-H567 PolarHBondContact O-ND1 3Å; H567-T682 WeakPolarHBondContact CA-O 3.19Å; H567-I683 HydrophobicContact CB-CG1 4.14Å
568	K	89.9	Confident	86.5	Confident	116 Å²	116	30.7 Å²	30.7	50%	0.504	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.6	178.6	-172.9	173.4	-179.2	172.2	0	110.9	K552 S681 T682	K552-K568 CarbonylContact O-C 3.5Å; K552-K568 VanDerWaalsContact O-CA 3.28Å; K552-K568 WeakPolarHBondContact O-CA 3.48Å; K568-S681 CarbonylContact O-C 3.55Å; K568-S681 WeakPolarHBondContact O-CA 3.36Å; K568-T682 PolarHBondContact N-O 2.64Å; K568-T682 PolarHBondContact O-N 3.18Å
569	T	89	Confident	87.2	Confident	8 Å²	8	30.1 Å²	30.1	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.2	166.3	-178.4	0	0	0	0	111.1	K552 L571 I573 S681	K552-T569 HydrophobicContact CB-CG2 4.41Å; K552-T569 HydrophobicContact CG-CG2 4.17Å; K552-T569 PolarHBondContact O-N 2.91Å; T569-L571 VanDerWaalsContact C-N 3.27Å; T569-L571 PolarHBondContact OG1-N 2.6Å; T569-I573 HydrophobicContact CG2-CD1 4.36Å; T569-S681 VanDerWaalsContact CB-OG 3.31Å; T569-S681 WeakPolarHBondContact CB-OG 3.35Å; T569-S681 PolarHBondContact OG1-OG 2.86Å
570	G	85.6	Confident	88.1	Confident	38 Å²	38	31.6 Å²	31.6	39%	0.392	16%	0.161	S	C	.	.			trans	-78.8	-9.5	174.3	0	0	0	0	0	113.7	K679 R680	G570-K679 WeakPolarHBondContact O-CD 3.27Å; G570-R680 PolarHBondContact N-O 2.88Å; G570-R680 VanDerWaalsContact N-O 3.12Å
571	L	87.6	Confident	89.1	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	-76.6	136.3	-177.9	-80.3	168	0	0	0	111.2	P215 T569 V654 V656 N676 K679	P215-L571 HydrophobicContact CG-CB 3.99Å; P215-L571 HydrophobicContact CG-CD1 4.04Å; T569-L571 VanDerWaalsContact C-N 3.27Å; T569-L571 PolarHBondContact OG1-N 2.6Å; L571-V654 HydrophobicContact CD2-CG1 3.89Å; L571-V656 HydrophobicContact CD2-CG1 4.2Å; L571-N676 HydrophobicContact CD1-CB 4.43Å; L571-N676 HydrophobicContact CD2-CB 3.57Å; L571-N676 HydrophobicContact CG-CB 4.23Å; L571-K679 HydrophobicContact CD2-CB 4.2Å; L571-K679 HydrophobicContact CG-CB 4.27Å
572	P	88.9	Confident	90	Very high	23 Å²	23	27.2 Å²	27.2	15%	0.149	14%	0.138	C	C	.	.			trans	-66.9	144.7	168.2	29.7	-32.2	0	0	0	110.1	W574 V654	P572-W574 HydrophobicContact CB-CD2 4.49Å; P572-W574 HydrophobicContact CB-CH2 4.08Å; P572-W574 HydrophobicContact CB-CZ2 3.67Å; P572-W574 HydrophobicContact CG-CH2 3.68Å; P572-W574 HydrophobicContact CG-CZ2 3.78Å; P572-W574 HydrophobicContact CG-CZ3 4.24Å; P572-V654 HydrophobicContact CG-CB 4.48Å; P572-V654 HydrophobicContact CG-CG2 3.61Å
573	I	89.3	Confident	90.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.156	C	C	.	.			trans	-122.5	125.8	175.4	-52.6	-177.7	0	0	0	105.5	P215 H489 Q548 L551 K552 T569	P215-I573 HydrophobicContact CG-CD1 4.41Å; P215-I573 HydrophobicContact CG-CG1 4.12Å; H489-I573 VanDerWaalsContact CD2-CG2 3.42Å; H489-I573 WeakPolarHBondContact CD2-CG2 3.25Å; H489-I573 WeakPolarHBondContact NE2-CG2 3.29Å; Q548-I573 HydrophobicContact CG-CG2 4.33Å; L551-I573 HydrophobicContact CB-CD1 4.3Å; L551-I573 HydrophobicContact CD2-CD1 3.69Å; L551-I573 HydrophobicContact CG-CD1 3.92Å; K552-I573 HydrophobicContact CG-CD1 3.99Å; K552-I573 HydrophobicContact CG-CG1 4.3Å; T569-I573 HydrophobicContact CG2-CD1 4.36Å
574	W	91.1	Very high	90.7	Very high	35 Å²	35	36.5 Å²	36.5	13%	0.133	19%	0.19	C	C	.	.			trans	-126.7	142.8	178.1	-59.3	-59.6	0	0	0	108.1	Y217 H489 P572 A577 L589 Q591 T652 V654	Y217-W574 VanDerWaalsContact CE1-O 3.28Å; Y217-W574 WeakPolarHBondContact CE1-O 3.27Å; Y217-W574 PolarHBondContact OH-N 3.32Å; Y217-W574 VanDerWaalsContact OH-N 3.07Å; Y217-W574 PolarHBondContact OH-O 3.46Å; H489-W574 WeakPolarHBondContact CB-O 3Å; P572-W574 HydrophobicContact CB-CD2 4.49Å; P572-W574 HydrophobicContact CB-CH2 4.08Å; P572-W574 HydrophobicContact CB-CZ2 3.67Å; P572-W574 HydrophobicContact CG-CH2 3.68Å; P572-W574 HydrophobicContact CG-CZ2 3.78Å; P572-W574 HydrophobicContact CG-CZ3 4.24Å; W574-A577 HydrophobicContact CB-CB 4.46Å; W574-A577 HydrophobicContact CE3-CB 4.1Å; W574-L589 HydrophobicContact CE3-CD2 3.93Å; W574-L589 HydrophobicContact CE3-CG 4.11Å; W574-L589 HydrophobicContact CZ3-CB 4.35Å; W574-L589 HydrophobicContact CZ3-CD2 3.78Å; W574-L589 HydrophobicContact CZ3-CG 3.77Å; W574-Q591 HydrophobicContact CB-CG 4.43Å; W574-Q591 HydrophobicContact CD2-CB 3.76Å; W574-Q591 HydrophobicContact CD2-CG 4.04Å; W574-Q591 HydrophobicContact CE3-CB 4.18Å; W574-Q591 HydrophobicContact CG-CB 4.12Å; W574-Q591 HydrophobicContact CG-CG 3.84Å; W574-Q591 HydrophobicContact CH2-CB 4.43Å; W574-Q591 HydrophobicContact CZ2-CB 4.03Å; W574-Q591 HydrophobicContact CZ3-CB 4.49Å; W574-T652 VanDerWaalsContact CH2-O 3.32Å; W574-T652 WeakPolarHBondContact CH2-O 3.11Å; W574-T652 HydrophobicContact CZ2-CG2 4.44Å; W574-V654 HydrophobicContact CH2-CG2 4.31Å
575	D	89.8	Confident	90.8	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	21%	0.207	S	C	.	.	S	Bend	trans	-61	-48.4	177.9	-65	-57.2	0	0	0	111.4	Q488 H489 Q548	Q488-D575 CarbonylContact C-O 3.52Å; Q488-D575 VanDerWaalsContact CA-O 3.28Å; Q488-D575 WeakPolarHBondContact CA-O 3.39Å; Q488-D575 WeakPolarHBondContact CG-O 3Å; H489-D575 PolarHBondContact N-O 3.25Å; Q548-D575 PolarHBondContact NE2-OD1 3.48Å; Q548-D575 PolarHBondContact NE2-OD2 3.29Å
576	D	92.6	Very high	90.9	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.5	174.5	-63.6	-59.4	0	0	0	110	H486 L592	H486-D576 IonicContact NE2-OD1 2.78Å; D576-L592 HydrophobicContact CB-CB 4.21Å; D576-L592 HydrophobicContact CB-CD2 3.96Å; D576-L592 PolarHBondContact O-N 3.43Å
577	A	96.1	Very high	91.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	166.5	-177.2	0	0	0	0	0	111.3	Y217 V487 W574 L589 F590	Y217-A577 HydrophobicContact CD1-CB 4.31Å; Y217-A577 HydrophobicContact CE1-CB 3.71Å; V487-A577 HydrophobicContact CG2-CB 3.99Å; V487-A577 WeakPolarHBondContact CG2-O 3.36Å; V487-A577 PolarHBondContact N-O 3Å; V487-A577 PolarHBondContact O-N 3.47Å; V487-A577 VanDerWaalsContact O-O 3.08Å; W574-A577 HydrophobicContact CB-CB 4.46Å; W574-A577 HydrophobicContact CE3-CB 4.1Å; A577-L589 HydrophobicContact CB-CD1 3.75Å; A577-L589 HydrophobicContact CB-CG 4.18Å; A577-F590 CarbonylContact C-O 3.57Å; A577-F590 VanDerWaalsContact CA-O 3.3Å; A577-F590 WeakPolarHBondContact CA-O 3.47Å; A577-F590 WeakPolarHBondContact CB-O 3.35Å
578	I	97.3	Very high	91.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.6	177.5	-62.7	-70.8	0	0	0	108.7	L258 T484 C485 H486 L589 F590 L592 I647 Y648	L258-I578 HydrophobicContact CD1-CD1 3.57Å; T484-I578 HydrophobicContact CG2-CG2 3.19Å; C485-I578 WeakPolarHBondContact O-CA 3.44Å; H486-I578 HydrophobicContact CB-CD1 4.22Å; I578-L589 WeakPolarHBondContact O-CA 3.5Å; I578-F590 HydrophobicContact CB-CB 4.47Å; I578-F590 PolarHBondContact N-O 2.93Å; I578-F590 PolarHBondContact O-N 3.48Å; I578-L592 HydrophobicContact CD1-CD1 4.01Å; I578-L592 HydrophobicContact CG1-CD1 3.99Å; I578-I647 HydrophobicContact CD1-CG2 4.15Å; I578-I647 HydrophobicContact CG1-CG2 4.37Å; I578-Y648 HydrophobicContact CB-CD1 4.22Å; I578-Y648 HydrophobicContact CB-CG 4.38Å; I578-Y648 HydrophobicContact CG1-CD1 4.47Å; I578-Y648 HydrophobicContact CG2-CD1 3.67Å; I578-Y648 HydrophobicContact CG2-CE1 4.32Å; I578-Y648 HydrophobicContact CG2-CG 4.26Å
579	V	96	Very high	91.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.2	169.1	173.1	0	0	0	0	107.8	Y483 T484 C485 V487 I587 S588 L589 Y672	Y483-V579 HydrophobicContact CE2-CG1 4.44Å; T484-V579 CarbonylContact C-O 3.56Å; T484-V579 WeakPolarHBondContact CA-O 3.33Å; C485-V579 PolarHBondContact N-O 2.78Å; C485-V579 PolarHBondContact O-N 2.87Å; V487-V579 HydrophobicContact CB-CG2 4.5Å; V487-V579 HydrophobicContact CG1-CB 4.37Å; V487-V579 HydrophobicContact CG1-CG2 3.88Å; V487-V579 HydrophobicContact CG2-CG2 3.75Å; V579-I587 HydrophobicContact CG1-CG2 3.72Å; V579-S588 WeakPolarHBondContact CA-O 3.5Å; V579-L589 HydrophobicContact CG2-CD1 3.71Å; V579-Y672 HydrophobicContact CG1-CE1 4.18Å
580	H	95.8	Very high	92	Very high	42 Å²	42	39.6 Å²	39.6	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.1	177.7	171.6	-98.7	0	0	0	110	Y483 S588 F590	Y483-H580 WeakPolarHBondContact O-CA 3.47Å; H580-S588 PolarHBondContact N-O 2.73Å; H580-S588 PolarHBondContact ND1-OG 2.78Å; H580-S588 PolarHBondContact O-N 3.11Å; H580-S588 PolarHBondContact O-OG 2.98Å; H580-F590 HydrophobicContact CB-CD2 4.21Å; H580-F590 HydrophobicContact CB-CE2 3.88Å
581	R	94.9	Very high	92.5	Very high	68 Å²	68	40.3 Å²	40.3	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.5	173.2	-174.5	-179.2	-177.3	-152.5	11.8	109.8	G481 T482 Y483 E586 I587	G481-R581 PolarHBondContact O-NH1 3.17Å; T482-R581 VanDerWaalsContact CA-O 3.27Å; T482-R581 WeakPolarHBondContact CA-O 3.38Å; Y483-R581 HydrophobicContact CD1-CB 3.92Å; Y483-R581 HydrophobicContact CD2-CB 4.36Å; Y483-R581 HydrophobicContact CE1-CB 3.67Å; Y483-R581 HydrophobicContact CE1-CG 4.13Å; Y483-R581 HydrophobicContact CE2-CB 4.13Å; Y483-R581 HydrophobicContact CG-CB 4.26Å; Y483-R581 PolarHBondContact N-O 3.23Å; Y483-R581 PolarHBondContact O-N 2.76Å; R581-E586 CarbonylContact C-O 3.48Å; R581-E586 WeakPolarHBondContact CA-O 3.28Å; R581-I587 HydrophobicContact CG-CG1 4.44Å
582	S	92.5	Very high	92.9	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.161	20%	0.204	C	C	.	.			trans	-78.8	172.3	178	73.6	0	0	0	0	112.7	D584 K585 E586	S582-D584 PolarHBondContact O-N 3.45Å; S582-D584 PolarHBondContact OG-N 2.98Å; S582-K585 WeakPolarHBondContact O-CA 2.88Å; S582-K585 PolarHBondContact O-N 3.43Å; S582-E586 PolarHBondContact N-O 3.09Å; S582-E586 WeakPolarHBondContact OG-CB 2.99Å; S582-E586 PolarHBondContact OG-N 3.34Å; S582-E586 PolarHBondContact OG-O 2.87Å
583	V	88.7	Confident	93.2	Very high	64 Å²	64	41.3 Å²	41.3	39%	0.388	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.1	173.6	175.6	0	0	0	0	111.2	N480 T482 K585	N480-V583 HydrophobicContact CB-CG1 3.98Å; T482-V583 HydrophobicContact CG2-CB 4.28Å; T482-V583 HydrophobicContact CG2-CG2 3.5Å; T482-V583 VanDerWaalsContact CG2-CG2 3.5Å; T482-V583 VanDerWaalsContact CG2-N 3.33Å; V583-K585 PolarHBondContact O-N 2.93Å; V583-K585 VanDerWaalsContact O-N 3.11Å
584	D	87.1	Confident	93.3	Very high	131 Å²	131	46 Å²	46	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	8.7	176.8	-52.7	-50.5	0	0	0	112.9	S582 E586	S582-D584 PolarHBondContact O-N 3.45Å; S582-D584 PolarHBondContact OG-N 2.98Å; D584-E586 HydrophobicContact CB-CG 4.31Å; D584-E586 PolarHBondContact O-N 2.84Å
585	K	86.3	Confident	93.1	Very high	140 Å²	140	48.8 Å²	48.8	61%	0.609	24%	0.24	S	C	*	.			trans	63.2	13.7	-177.6	-52.7	173.8	-178.8	171.4	0	114	S582 V583	S582-K585 WeakPolarHBondContact O-CA 2.88Å; S582-K585 PolarHBondContact O-N 3.43Å; V583-K585 PolarHBondContact O-N 2.93Å; V583-K585 VanDerWaalsContact O-N 3.11Å
586	E	91.3	Very high	93.1	Very high	107 Å²	107	54.8 Å²	54.8	50%	0.5	26%	0.263	S	S	.	.			trans	-71.1	136.3	171.9	-60.1	-172.1	158.2	0	0	110	R581 S582 D584	R581-E586 CarbonylContact C-O 3.48Å; R581-E586 WeakPolarHBondContact CA-O 3.28Å; S582-E586 PolarHBondContact N-O 3.09Å; S582-E586 WeakPolarHBondContact OG-CB 2.99Å; S582-E586 PolarHBondContact OG-N 3.34Å; S582-E586 PolarHBondContact OG-O 2.87Å; D584-E586 HydrophobicContact CB-CG 4.31Å; D584-E586 PolarHBondContact O-N 2.84Å
587	I	93.8	Very high	93.1	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.1	175.2	-57.2	176.5	0	0	0	108.1	V579 R581 V656 T658	V579-I587 HydrophobicContact CG1-CG2 3.72Å; R581-I587 HydrophobicContact CG-CG1 4.44Å; I587-V656 HydrophobicContact CB-CG2 4.35Å; I587-V656 HydrophobicContact CG2-CG2 3.83Å; I587-V656 PolarHBondContact O-N 3.47Å; I587-T658 HydrophobicContact CD1-CG2 3.83Å
588	S	95.2	Very high	92.9	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.1	178.8	45.5	0	0	0	0	110	V579 H580 F590 V654	V579-S588 WeakPolarHBondContact CA-O 3.5Å; H580-S588 PolarHBondContact N-O 2.73Å; H580-S588 PolarHBondContact ND1-OG 2.78Å; H580-S588 PolarHBondContact O-N 3.11Å; H580-S588 PolarHBondContact O-OG 2.98Å; S588-F590 VanDerWaalsContact OG-CE2 3.27Å; S588-F590 WeakPolarHBondContact OG-CE2 3.29Å; S588-V654 CarbonylContact C-O 3.54Å; S588-V654 WeakPolarHBondContact CA-O 3.31Å
589	L	96	Very high	92.4	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.5	174.2	-167.1	74	0	0	0	108.8	Y217 V487 W574 A577 I578 V579 V654 V656 L674	Y217-L589 HydrophobicContact CE2-CD2 4.04Å; V487-L589 HydrophobicContact CG2-CD1 4.37Å; W574-L589 HydrophobicContact CE3-CD2 3.93Å; W574-L589 HydrophobicContact CE3-CG 4.11Å; W574-L589 HydrophobicContact CZ3-CB 4.35Å; W574-L589 HydrophobicContact CZ3-CD2 3.78Å; W574-L589 HydrophobicContact CZ3-CG 3.77Å; A577-L589 HydrophobicContact CB-CD1 3.75Å; A577-L589 HydrophobicContact CB-CG 4.18Å; I578-L589 WeakPolarHBondContact O-CA 3.5Å; V579-L589 HydrophobicContact CG2-CD1 3.71Å; L589-V654 PolarHBondContact N-O 2.82Å; L589-V654 PolarHBondContact O-N 2.87Å; L589-V656 HydrophobicContact CB-CG1 4.3Å; L589-V656 HydrophobicContact CB-CG2 4.27Å; L589-L674 HydrophobicContact CD1-CD1 3.83Å; L589-L674 HydrophobicContact CD2-CD1 3.89Å; L589-L674 HydrophobicContact CG-CD1 4.3Å
590	F	96.9	Very high	91.9	Very high	11 Å²	11	64.3 Å²	64.3	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.4	175	-60.9	-98.1	0	0	0	110.6	A577 I578 H580 S588 Y648 K653	A577-F590 CarbonylContact C-O 3.57Å; A577-F590 VanDerWaalsContact CA-O 3.3Å; A577-F590 WeakPolarHBondContact CA-O 3.47Å; A577-F590 WeakPolarHBondContact CB-O 3.35Å; I578-F590 HydrophobicContact CB-CB 4.47Å; I578-F590 PolarHBondContact N-O 2.93Å; I578-F590 PolarHBondContact O-N 3.48Å; H580-F590 HydrophobicContact CB-CD2 4.21Å; H580-F590 HydrophobicContact CB-CE2 3.88Å; S588-F590 VanDerWaalsContact OG-CE2 3.27Å; S588-F590 WeakPolarHBondContact OG-CE2 3.29Å; F590-Y648 HydrophobicContact CB-CD2 3.86Å; F590-Y648 HydrophobicContact CB-CG 3.92Å; F590-Y648 AromaticContact CD1-CD2 3.49Å; F590-Y648 HydrophobicContact CD1-CD2 3.49Å; F590-Y648 VanDerWaalsContact CD1-CD2 3.49Å; F590-Y648 AromaticContact CD1-CE2 3.94Å; F590-Y648 HydrophobicContact CD1-CE2 3.94Å; F590-Y648 HydrophobicContact CD1-CG 4.39Å; F590-Y648 AromaticContact CD2-CD2 3.92Å; F590-Y648 HydrophobicContact CD2-CD2 3.92Å; F590-Y648 HydrophobicContact CD2-CE2 4.11Å; F590-Y648 HydrophobicContact CD2-CG 4.32Å; F590-Y648 AromaticContact CE1-CD2 3.85Å; F590-Y648 HydrophobicContact CE1-CD2 3.85Å; F590-Y648 AromaticContact CE1-CE2 3.79Å; F590-Y648 HydrophobicContact CE1-CE2 3.79Å; F590-Y648 HydrophobicContact CE2-CD2 4.27Å; F590-Y648 HydrophobicContact CE2-CE2 4.01Å; F590-Y648 AromaticContact CG-CD2 3.5Å; F590-Y648 HydrophobicContact CG-CD2 3.5Å; F590-Y648 HydrophobicContact CG-CE2 4.08Å; F590-Y648 HydrophobicContact CG-CG 4Å; F590-Y648 HydrophobicContact CZ-CD2 4.24Å; F590-Y648 AromaticContact CZ-CE2 3.85Å; F590-Y648 HydrophobicContact CZ-CE2 3.85Å; F590-K653 HydrophobicContact CD1-CB 3.98Å; F590-K653 HydrophobicContact CD1-CG 4.47Å; F590-K653 HydrophobicContact CE1-CB 3.38Å; F590-K653 HydrophobicContact CE1-CD 4.21Å; F590-K653 HydrophobicContact CE1-CG 3.65Å; F590-K653 HydrophobicContact CE2-CG 4.37Å; F590-K653 HydrophobicContact CZ-CB 3.9Å; F590-K653 HydrophobicContact CZ-CD 3.93Å; F590-K653 HydrophobicContact CZ-CG 3.58Å
591	Q	95.7	Very high	91.5	Very high	52 Å²	52	67.9 Å²	67.9	24%	0.243	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.2	168	-166.3	174	9.1	0	0	110.1	W574 Y648 A649 T652	W574-Q591 HydrophobicContact CB-CG 4.43Å; W574-Q591 HydrophobicContact CD2-CB 3.76Å; W574-Q591 HydrophobicContact CD2-CG 4.04Å; W574-Q591 HydrophobicContact CE3-CB 4.18Å; W574-Q591 HydrophobicContact CG-CB 4.12Å; W574-Q591 HydrophobicContact CG-CG 3.84Å; W574-Q591 HydrophobicContact CH2-CB 4.43Å; W574-Q591 HydrophobicContact CZ2-CB 4.03Å; W574-Q591 HydrophobicContact CZ3-CB 4.49Å; Q591-Y648 CarbonylContact O-C 3.59Å; Q591-Y648 WeakPolarHBondContact O-CA 3.1Å; Q591-Y648 WeakPolarHBondContact O-CB 3.4Å; Q591-A649 PolarHBondContact O-N 3.08Å; Q591-T652 HydrophobicContact CB-CG2 3.99Å; Q591-T652 PolarHBondContact N-OG1 3.1Å
592	L	95.7	Very high	91.1	Very high	24 Å²	24	69.5 Å²	69.5	13%	0.126	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-65.4	135.8	168.8	-174.1	68.9	0	0	0	110	D576 I578 P621 I647	D576-L592 HydrophobicContact CB-CB 4.21Å; D576-L592 HydrophobicContact CB-CD2 3.96Å; D576-L592 PolarHBondContact O-N 3.43Å; I578-L592 HydrophobicContact CD1-CD1 4.01Å; I578-L592 HydrophobicContact CG1-CD1 3.99Å; L592-P621 HydrophobicContact CD1-CG 4.21Å; L592-I647 HydrophobicContact CD1-CD1 4.46Å; L592-I647 HydrophobicContact CD1-CG1 3.98Å
593	K	94.6	Very high	91.1	Very high	27 Å²	27	69 Å²	69	12%	0.117	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.2	177.4	-80.7	178.8	174.3	166.3	0	111.5	D597 F598 P646 I647 Y648 A649	K593-D597 HydrophobicContact CB-CB 4.15Å; K593-D597 HydrophobicContact CD-CB 4.37Å; K593-D597 HydrophobicContact CG-CB 4.06Å; K593-F598 HydrophobicContact CB-CD2 4.26Å; K593-F598 HydrophobicContact CB-CE2 3.63Å; K593-F598 HydrophobicContact CB-CZ 4Å; K593-F598 HydrophobicContact CD-CE1 4.5Å; K593-F598 HydrophobicContact CD-CE2 4.42Å; K593-F598 HydrophobicContact CD-CZ 4.34Å; K593-P646 WeakPolarHBondContact CD-O 3.11Å; K593-P646 WeakPolarHBondContact CE-O 3.17Å; K593-P646 PolarHBondContact NZ-O 3.4Å; K593-I647 WeakPolarHBondContact CB-O 3.31Å; K593-I647 PolarHBondContact N-O 3.4Å; K593-Y648 WeakPolarHBondContact CE-O 3.36Å; K593-A649 HydrophobicContact CG-CB 4.22Å
594	F	91.4	Very high	91.2	Very high	101 Å²	101	68.9 Å²	68.9	44%	0.443	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-81.1	158.9	163.6	-59.5	-76.9	0	0	0	110.2	K596 D597 F598	F594-K596 HydrophobicContact CB-CG 4.01Å; F594-K596 PolarHBondContact O-N 2.79Å; F594-K596 VanDerWaalsContact O-N 3.08Å; F594-D597 WeakPolarHBondContact CB-OD2 3.22Å; F594-D597 WeakPolarHBondContact CD2-OD2 3.49Å; F594-D597 PolarHBondContact N-OD2 2.71Å; F594-D597 WeakPolarHBondContact O-CB 3.31Å; F594-D597 PolarHBondContact O-N 2.87Å; F594-F598 VanDerWaalsContact O-CD2 3.31Å; F594-F598 WeakPolarHBondContact O-CD2 3.44Å
595	L	88.2	Confident	91.5	Very high	93 Å²	93	64.7 Å²	64.7	49%	0.487	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-52.8	-35.7	179.6	-178.3	63.5	0	0	0	113	D597 F598	L595-D597 VanDerWaalsContact C-N 3.26Å; L595-D597 PolarHBondContact O-N 3.36Å; L595-F598 PolarHBondContact O-N 3.33Å
596	K	89.9	Confident	91.8	Very high	173 Å²	173	61.5 Å²	61.5	75%	0.752	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.8	178	63.7	176.6	-177.1	178.2	0	114.3	F594 F598	F594-K596 HydrophobicContact CB-CG 4.01Å; F594-K596 PolarHBondContact O-N 2.79Å; F594-K596 VanDerWaalsContact O-N 3.08Å; K596-F598 VanDerWaalsContact C-N 3.33Å
597	D	91.3	Very high	91.8	Very high	70 Å²	70	64.3 Å²	64.3	37%	0.374	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.1	-7.7	-178.2	-51.3	-35.6	0	0	0	111.7	K593 F594 L595	K593-D597 HydrophobicContact CB-CB 4.15Å; K593-D597 HydrophobicContact CD-CB 4.37Å; K593-D597 HydrophobicContact CG-CB 4.06Å; F594-D597 WeakPolarHBondContact CB-OD2 3.22Å; F594-D597 WeakPolarHBondContact CD2-OD2 3.49Å; F594-D597 PolarHBondContact N-OD2 2.71Å; F594-D597 WeakPolarHBondContact O-CB 3.31Å; F594-D597 PolarHBondContact O-N 2.87Å; L595-D597 VanDerWaalsContact C-N 3.26Å; L595-D597 PolarHBondContact O-N 3.36Å
598	F	91.7	Very high	91.4	Very high	10 Å²	10	68.5 Å²	68.5	4%	0.044	35%	0.351	C	S	.	.	S	Bend	trans	-80.4	133.1	172.2	-70.9	-96.2	0	0	0	110	K593 F594 L595 K596 Q617 H642 Q645 I647	K593-F598 HydrophobicContact CB-CD2 4.26Å; K593-F598 HydrophobicContact CB-CE2 3.63Å; K593-F598 HydrophobicContact CB-CZ 4Å; K593-F598 HydrophobicContact CD-CE1 4.5Å; K593-F598 HydrophobicContact CD-CE2 4.42Å; K593-F598 HydrophobicContact CD-CZ 4.34Å; F594-F598 VanDerWaalsContact O-CD2 3.31Å; F594-F598 WeakPolarHBondContact O-CD2 3.44Å; L595-F598 PolarHBondContact O-N 3.33Å; K596-F598 VanDerWaalsContact C-N 3.33Å; F598-Q617 HydrophobicContact CE1-CG 4.2Å; F598-H642 HydrophobicContact CB-CB 4.39Å; F598-H642 HydrophobicContact CD1-CB 3.94Å; F598-H642 AromaticContact CD1-CD2 3.67Å; F598-H642 AromaticContact CD1-CG 3.74Å; F598-H642 AromaticContact CG-CD2 3.83Å; F598-H642 AromaticContact CG-CG 3.94Å; F598-Q645 HydrophobicContact CD1-CG 4.17Å; F598-Q645 HydrophobicContact CE1-CG 4.41Å; F598-I647 HydrophobicContact CZ-CG1 4.27Å
599	G	87.7	Confident	91	Very high	38 Å²	38	77.4 Å²	77.4	39%	0.392	39%	0.389	S	S	.	.			trans	-55.9	146.4	173.9	0	0	0	0	0	113.1	E601	G599-E601 VanDerWaalsContact C-N 3.35Å
600	T	85.7	Confident	90.5	Very high	143 Å²	143	83.2 Å²	83.2	88%	0.877	42%	0.416	S	S	*	.			trans	-85.6	-7.3	179.1	54.2	0	0	0	0	113.5
601	E	87	Confident	90.2	Very high	117 Å²	117	86.8 Å²	86.8	55%	0.547	43%	0.433	S	S	.	.	S	Bend	trans	-65.7	134.3	178.9	-67.5	-176.4	177	0	0	111.5	G599 R643	G599-E601 VanDerWaalsContact C-N 3.35Å; E601-R643 IonicContact OE2-CZ 2.7Å; E601-R643 IonicContact OE2-NH1 3.1Å; E601-R643 PolarHBondContact OE2-NH1 3.3Å
602	P	85.8	Confident	90.2	Very high	103 Å²	103	84.7 Å²	84.7	67%	0.669	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-67.9	148.4	175.3	28.9	-33.7	0	0	0	111
603	P	92.3	Very high	90.2	Very high	12 Å²	12	87 Å²	87	8%	0.078	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-58.7	137.8	172.3	-20.8	31	0	0	0	111.7	L337 L605 I614 V616	L337-P603 HydrophobicContact CD1-CG 4.12Å; P603-L605 PolarHBondContact O-N 3.08Å; P603-I614 HydrophobicContact CB-CB 3.92Å; P603-I614 HydrophobicContact CB-CD1 4.33Å; P603-I614 HydrophobicContact CB-CG2 4.23Å; P603-I614 HydrophobicContact CG-CD1 4.38Å; P603-V616 HydrophobicContact CB-CG1 3.96Å; P603-V616 HydrophobicContact CG-CG1 3.65Å
604	P	92.2	Very high	90.3	Very high	62 Å²	62	85.7 Å²	85.7	40%	0.403	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-68	128.3	176.5	27.7	-33.3	0	0	0	110.5	Q606	P604-Q606 PolarHBondContact O-N 2.8Å
605	L	93.2	Very high	90.5	Very high	42 Å²	42	81.7 Å²	81.7	22%	0.22	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-79.8	118.2	178.4	-173.2	65.8	0	0	0	110.6	F338 Q339 P603 K612 I614	F338-L605 HydrophobicContact CD1-CD1 3.74Å; F338-L605 HydrophobicContact CE1-CD1 4.16Å; F338-L605 HydrophobicContact CG-CD1 4.46Å; F338-L605 WeakPolarHBondContact O-CD2 3.34Å; Q339-L605 HydrophobicContact CB-CD2 4.27Å; P603-L605 PolarHBondContact O-N 3.08Å; L605-K612 HydrophobicContact CD1-CB 3.92Å; L605-K612 HydrophobicContact CD1-CD 4.08Å; L605-K612 HydrophobicContact CD2-CD 3.93Å; L605-K612 HydrophobicContact CG-CD 4.24Å; L605-I614 HydrophobicContact CB-CG2 4.42Å; L605-I614 HydrophobicContact CD1-CG2 3.77Å
606	Q	93.3	Very high	90.9	Very high	74 Å²	74	77.2 Å²	77.2	35%	0.346	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.3	175.8	-58.7	-174.9	13.6	0	0	109.1	P604 K612 Y613	P604-Q606 PolarHBondContact O-N 2.8Å; Q606-K612 CarbonylContact O-C 3.6Å; Q606-K612 VanDerWaalsContact O-CA 3.29Å; Q606-K612 WeakPolarHBondContact O-CA 3.31Å; Q606-Y613 HydrophobicContact CB-CD1 4.16Å; Q606-Y613 HydrophobicContact CB-CD2 4.14Å; Q606-Y613 HydrophobicContact CB-CE1 3.78Å; Q606-Y613 HydrophobicContact CB-CE2 3.79Å; Q606-Y613 HydrophobicContact CB-CG 4.33Å; Q606-Y613 HydrophobicContact CG-CE2 4.25Å; Q606-Y613 PolarHBondContact N-O 3.32Å; Q606-Y613 PolarHBondContact O-N 3.05Å; Q606-Y613 PolarHBondContact OE1-OH 2.82Å
607	R	89.6	Confident	91.2	Very high	166 Å²	166	69.4 Å²	69.4	63%	0.626	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	133	179.9	-59.3	-169.3	-176.6	-177.5	1.1	109.4	E611 K612	R607-E611 WeakPolarHBondContact CA-O 3.35Å; R607-K612 HydrophobicContact CG-CD 4.3Å; R607-K612 HydrophobicContact CG-CG 4.11Å
608	H	85.5	Confident	91.4	Very high	113 Å²	113	66 Å²	66	52%	0.523	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	104.6	174.5	179.9	-94.8	0	0	0	108.3	E610 E611 Y613	H608-E610 PolarHBondContact O-N 3.11Å; H608-E611 PolarHBondContact N-O 2.81Å; H608-E611 PolarHBondContact O-N 2.85Å; H608-Y613 HydrophobicContact CB-CE1 4.26Å
609	K	87.4	Confident	91.4	Very high	190 Å²	190	66 Å²	66	83%	0.826	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-123.9	-168.1	-54.3	179.6	178.1	-177.5	0	110.1
610	E	85.1	Confident	91.7	Very high	126 Å²	126	72.4 Å²	72.4	59%	0.589	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.3	177.8	-63	178.2	-178.5	0	0	113.1	P268 H608	P268-E610 VanDerWaalsContact CD-O 3.22Å; P268-E610 WeakPolarHBondContact CD-O 3.44Å; P268-E610 HydrophobicContact CG-CB 4.14Å; P268-E610 WeakPolarHBondContact CG-O 3.23Å; H608-E610 PolarHBondContact O-N 3.11Å
611	E	91.2	Very high	92.2	Very high	86 Å²	86	66.3 Å²	66.3	40%	0.402	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.4	-179.6	-62.6	-173.8	162.3	0	0	110.9	H267 R607 H608	H267-E611 HydrophobicContact CB-CG 4.38Å; H267-E611 IonicContact CE1-OE1 2.75Å; H267-E611 IonicContact CG-OE1 3.72Å; H267-E611 WeakPolarHBondContact ND1-CG 3.37Å; H267-E611 IonicContact ND1-OE1 3.52Å; H267-E611 PolarHBondContact ND1-OE1 2.79Å; R607-E611 WeakPolarHBondContact CA-O 3.35Å; H608-E611 PolarHBondContact N-O 2.81Å; H608-E611 PolarHBondContact O-N 2.85Å
612	K	95.6	Very high	92.6	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.039	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.8	169.8	-53.5	-164.8	-172.2	176.5	0	109.4	A265 M266 F338 E340 L605 Q606 R607	A265-K612 CarbonylContact C-O 3.51Å; A265-K612 WeakPolarHBondContact CA-O 3.11Å; M266-K612 HydrophobicContact CE-CB 4.01Å; M266-K612 HydrophobicContact CE-CD 3.86Å; M266-K612 HydrophobicContact CE-CG 3.7Å; M266-K612 PolarHBondContact N-O 2.9Å; M266-K612 PolarHBondContact O-N 2.82Å; F338-K612 HydrophobicContact CD1-CB 3.86Å; F338-K612 HydrophobicContact CE1-CB 4.06Å; F338-K612 PolarHBondContact O-NZ 2.99Å; E340-K612 HydrophobicContact CG-CD 4.49Å; E340-K612 WeakPolarHBondContact OE1-CE 3.2Å; E340-K612 IonicContact OE1-NZ 3.6Å; E340-K612 PolarHBondContact OE1-NZ 2.78Å; L605-K612 HydrophobicContact CD1-CB 3.92Å; L605-K612 HydrophobicContact CD1-CD 4.08Å; L605-K612 HydrophobicContact CD2-CD 3.93Å; L605-K612 HydrophobicContact CG-CD 4.24Å; Q606-K612 CarbonylContact O-C 3.6Å; Q606-K612 VanDerWaalsContact O-CA 3.29Å; Q606-K612 WeakPolarHBondContact O-CA 3.31Å; R607-K612 HydrophobicContact CG-CD 4.3Å; R607-K612 HydrophobicContact CG-CG 4.11Å
613	Y	95.7	Very high	93	Very high	72 Å²	72	58.6 Å²	58.6	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.6	171.6	65.8	-83.7	0	0	0	111.2	Y263 L264 Q606 H608	Y263-Y613 HydrophobicContact CD1-CD2 4.08Å; Y263-Y613 HydrophobicContact CD1-CE2 4.36Å; Y263-Y613 HydrophobicContact CE1-CE2 4.46Å; L264-Y613 CarbonylContact O-C 3.59Å; L264-Y613 VanDerWaalsContact O-CA 3.25Å; L264-Y613 WeakPolarHBondContact O-CA 3.47Å; Q606-Y613 HydrophobicContact CB-CD1 4.16Å; Q606-Y613 HydrophobicContact CB-CD2 4.14Å; Q606-Y613 HydrophobicContact CB-CE1 3.78Å; Q606-Y613 HydrophobicContact CB-CE2 3.79Å; Q606-Y613 HydrophobicContact CB-CG 4.33Å; Q606-Y613 HydrophobicContact CG-CE2 4.25Å; Q606-Y613 PolarHBondContact N-O 3.32Å; Q606-Y613 PolarHBondContact O-N 3.05Å; Q606-Y613 PolarHBondContact OE1-OH 2.82Å; H608-Y613 HydrophobicContact CB-CE1 4.26Å
614	I	96.2	Very high	93.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.8	173.9	56.4	178.2	0	0	0	108.2	L264 L337 F338 P603 L605 V616	L264-I614 HydrophobicContact CB-CD1 4.36Å; L264-I614 HydrophobicContact CB-CG1 3.86Å; L264-I614 HydrophobicContact CD2-CD1 4.16Å; L264-I614 HydrophobicContact CG-CD1 4.47Å; L264-I614 HydrophobicContact CG-CG1 4.34Å; L264-I614 PolarHBondContact N-O 2.74Å; L264-I614 PolarHBondContact O-N 2.81Å; L337-I614 HydrophobicContact CD1-CD1 3.94Å; L337-I614 HydrophobicContact CD2-CD1 3.35Å; L337-I614 HydrophobicContact CG-CD1 3.46Å; L337-I614 VanDerWaalsContact CG-CD1 3.46Å; F338-I614 HydrophobicContact CE2-CD1 3.95Å; F338-I614 HydrophobicContact CE2-CG1 4.32Å; F338-I614 HydrophobicContact CZ-CD1 4.09Å; F338-I614 HydrophobicContact CZ-CG1 3.95Å; P603-I614 HydrophobicContact CB-CB 3.92Å; P603-I614 HydrophobicContact CB-CD1 4.33Å; P603-I614 HydrophobicContact CB-CG2 4.23Å; P603-I614 HydrophobicContact CG-CD1 4.38Å; L605-I614 HydrophobicContact CB-CG2 4.42Å; L605-I614 HydrophobicContact CD1-CG2 3.77Å; I614-V616 HydrophobicContact CB-CG1 4.19Å; I614-V616 HydrophobicContact CD1-CG1 3.59Å; I614-V616 HydrophobicContact CG1-CG1 3.68Å
615	V	96.6	Very high	93.2	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.6	175.4	-162.7	0	0	0	0	108.1	Q261 Y262 Y263 A644	Q261-V615 HydrophobicContact CB-CG1 4.15Å; Q261-V615 HydrophobicContact CG-CG1 3.8Å; Y262-V615 WeakPolarHBondContact O-CA 3.2Å; Y263-V615 HydrophobicContact CD1-CG1 4.5Å; Y263-V615 HydrophobicContact CD1-CG2 3.88Å; Y263-V615 HydrophobicContact CE1-CG1 4.23Å; Y263-V615 HydrophobicContact CE1-CG2 3.64Å; V615-A644 HydrophobicContact CB-CB 4.08Å; V615-A644 HydrophobicContact CG1-CB 3.69Å; V615-A644 PolarHBondContact O-N 3.01Å
616	V	96.7	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.2	-166.9	-60.3	0	0	0	0	112.9	Y262 L264 P603 I614 F618 I641 H642	Y262-V616 PolarHBondContact N-O 3.25Å; Y262-V616 PolarHBondContact O-N 3.27Å; L264-V616 HydrophobicContact CB-CG2 4.25Å; P603-V616 HydrophobicContact CB-CG1 3.96Å; P603-V616 HydrophobicContact CG-CG1 3.65Å; I614-V616 HydrophobicContact CB-CG1 4.19Å; I614-V616 HydrophobicContact CD1-CG1 3.59Å; I614-V616 HydrophobicContact CG1-CG1 3.68Å; V616-F618 HydrophobicContact CG2-CE1 4.08Å; V616-F618 HydrophobicContact CG2-CZ 4.11Å; V616-I641 HydrophobicContact CB-CG2 3.79Å; V616-I641 HydrophobicContact CG1-CG2 3.62Å; V616-I641 HydrophobicContact CG2-CG2 4.14Å; V616-H642 CarbonylContact C-O 3.54Å; V616-H642 WeakPolarHBondContact CA-O 3.26Å; V616-H642 WeakPolarHBondContact CB-O 3.43Å
617	Q	95.3	Very high	93.2	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.8	165.2	-176.4	60.2	-80.7	0	0	109.3	K260 F598 H642 Q645 I647	K260-Q617 PolarHBondContact O-NE2 3.47Å; F598-Q617 HydrophobicContact CE1-CG 4.2Å; Q617-H642 PolarHBondContact N-O 3.33Å; Q617-H642 PolarHBondContact O-N 2.72Å; Q617-Q645 HydrophobicContact CB-CG 4.45Å; Q617-Q645 WeakPolarHBondContact CG-O 3.02Å; Q617-Q645 PolarHBondContact NE2-O 3.38Å; Q617-I647 HydrophobicContact CG-CB 4.37Å
618	F	95.4	Very high	93.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	150.8	177.3	-55.2	-55.4	0	0	0	112.3	Y262 L472 V616 R620 Y624 H640 I641	Y262-F618 HydrophobicContact CD1-CE2 4.14Å; Y262-F618 AromaticContact CD2-CD2 3.63Å; Y262-F618 HydrophobicContact CD2-CD2 3.63Å; Y262-F618 AromaticContact CD2-CE2 3.4Å; Y262-F618 HydrophobicContact CD2-CE2 3.4Å; Y262-F618 HydrophobicContact CD2-CZ 4.36Å; Y262-F618 HydrophobicContact CE1-CE2 4.36Å; Y262-F618 AromaticContact CE2-CD2 3.57Å; Y262-F618 HydrophobicContact CE2-CD2 3.57Å; Y262-F618 AromaticContact CE2-CE2 3.65Å; Y262-F618 HydrophobicContact CE2-CE2 3.65Å; Y262-F618 HydrophobicContact CG-CD2 4.35Å; Y262-F618 AromaticContact CG-CE2 3.66Å; Y262-F618 HydrophobicContact CG-CE2 3.66Å; Y262-F618 HydrophobicContact CG-CZ 4.37Å; L472-F618 HydrophobicContact CD1-CE2 4.07Å; L472-F618 HydrophobicContact CD1-CZ 3.69Å; L472-F618 HydrophobicContact CD2-CE2 3.99Å; L472-F618 HydrophobicContact CD2-CZ 4.12Å; V616-F618 HydrophobicContact CG2-CE1 4.08Å; V616-F618 HydrophobicContact CG2-CZ 4.11Å; F618-R620 PolarHBondContact O-N 3.25Å; F618-R620 VanDerWaalsContact O-N 3.16Å; F618-Y624 AromaticContact CD1-CD2 3.57Å; F618-Y624 HydrophobicContact CD1-CD2 3.57Å; F618-Y624 HydrophobicContact CD1-CE2 4.36Å; F618-Y624 HydrophobicContact CD2-CD2 4.46Å; F618-Y624 WeakPolarHBondContact CD2-O 3.46Å; F618-Y624 AromaticContact CE1-CD2 3.66Å; F618-Y624 HydrophobicContact CE1-CD2 3.66Å; F618-Y624 HydrophobicContact CE1-CG 4.36Å; F618-Y624 WeakPolarHBondContact CE2-O 3.46Å; F618-Y624 AromaticContact CG-CD2 3.99Å; F618-Y624 HydrophobicContact CG-CD2 3.99Å; F618-Y624 HydrophobicContact CZ-CD2 4.16Å; F618-Y624 HydrophobicContact CZ-CG 4.43Å; F618-H640 WeakPolarHBondContact CA-O 3.42Å; F618-I641 HydrophobicContact CD1-CG1 4.17Å; F618-I641 HydrophobicContact CE1-CD1 4.49Å; F618-I641 HydrophobicContact CE1-CG1 3.97Å; F618-I641 HydrophobicContact CE1-CG2 4.25Å
619	S	92.9	Very high	93.9	Very high	9 Å²	9	41 Å²	41	6%	0.063	19%	0.188	C	C	.	.	S	Bend	trans	-64.6	-19.7	-176.6	70.1	0	0	0	0	114.5	Q623 H640	S619-Q623 PolarHBondContact OG-OE1 3.25Å; S619-H640 PolarHBondContact N-O 3.45Å; S619-H640 VanDerWaalsContact N-O 3.15Å; S619-H640 PolarHBondContact OG-ND1 2.03Å
620	R	94	Very high	94.2	Very high	172 Å²	172	33.1 Å²	33.1	65%	0.649	16%	0.16	S	C	*	.	S	Bend	trans	-137.9	146.5	177.5	-66.3	-178.9	179.2	-179.8	-1.6	111.1	F618 F622 Q623	F618-R620 PolarHBondContact O-N 3.25Å; F618-R620 VanDerWaalsContact O-N 3.16Å; R620-F622 PolarHBondContact O-N 3.06Å; R620-Q623 HydrophobicContact CB-CB 4.13Å; R620-Q623 WeakPolarHBondContact O-CB 3.34Å; R620-Q623 PolarHBondContact O-N 3.38Å
621	P	95.2	Very high	94.5	Very high	15 Å²	15	33.5 Å²	33.5	10%	0.097	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	127.8	174.7	-26.9	35.2	0	0	0	112.2	L258 H486 L592 Q623 I647	L258-P621 HydrophobicContact CD2-CB 3.82Å; H486-P621 HydrophobicContact CB-CB 4.46Å; H486-P621 HydrophobicContact CB-CG 4.35Å; L592-P621 HydrophobicContact CD1-CG 4.21Å; P621-Q623 PolarHBondContact O-N 3.13Å; P621-I647 HydrophobicContact CB-CD1 4.47Å; P621-I647 HydrophobicContact CG-CD1 3.85Å
622	F	94.9	Very high	94.6	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.044	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	22.9	179.3	-53.6	-69.8	0	0	0	115.8	H222 A224 D226 P257 L258 R620 Y624	H222-F622 HydrophobicContact CB-CD2 3.9Å; H222-F622 HydrophobicContact CB-CG 4.48Å; H222-F622 AromaticContact CD2-CD2 3.49Å; H222-F622 VanDerWaalsContact CD2-CD2 3.49Å; H222-F622 WeakPolarHBondContact CD2-CD2 3.31Å; H222-F622 AromaticContact CD2-CE2 3.72Å; H222-F622 AromaticContact CE1-CD2 3.97Å; H222-F622 AromaticContact CG-CD2 3.45Å; H222-F622 VanDerWaalsContact CG-CD2 3.45Å; H222-F622 AromaticContact ND1-CD2 3.76Å; H222-F622 AromaticContact NE2-CD2 3.82Å; A224-F622 WeakPolarHBondContact O-CB 3.16Å; D226-F622 HydrophobicContact CB-CE1 4.48Å; P257-F622 WeakPolarHBondContact O-CZ 3.5Å; L258-F622 HydrophobicContact CD2-CD2 3.98Å; L258-F622 HydrophobicContact CD2-CE1 4.48Å; L258-F622 HydrophobicContact CD2-CE2 3.38Å; L258-F622 HydrophobicContact CD2-CZ 3.69Å; R620-F622 PolarHBondContact O-N 3.06Å; F622-Y624 PolarHBondContact O-N 2.04Å
623	Q	93.6	Very high	94.3	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.224	18%	0.18	C	C	.	.	S	Bend	trans	-54.2	-45.8	170.3	179.8	171.3	5.4	0	0	110.4	S619 R620 P621 N628 H640	S619-Q623 PolarHBondContact OG-OE1 3.25Å; R620-Q623 HydrophobicContact CB-CB 4.13Å; R620-Q623 WeakPolarHBondContact O-CB 3.34Å; R620-Q623 PolarHBondContact O-N 3.38Å; P621-Q623 PolarHBondContact O-N 3.13Å; Q623-N628 PolarHBondContact O-ND2 3.08Å; Q623-H640 PolarHBondContact NE2-CD2 2.99Å; Q623-H640 VanDerWaalsContact NE2-CD2 3.26Å; Q623-H640 PolarHBondContact NE2-ND1 2.92Å
624	Y	95	Very high	93.9	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.063	17%	0.17	C	C	.	.	S	Bend	trans	-122.5	134.7	164.7	-55.1	-62	0	0	0	108.3	F618 F622 N628 W629 Q632 I636 N637 H640 I641	F618-Y624 AromaticContact CD1-CD2 3.57Å; F618-Y624 HydrophobicContact CD1-CD2 3.57Å; F618-Y624 HydrophobicContact CD1-CE2 4.36Å; F618-Y624 HydrophobicContact CD2-CD2 4.46Å; F618-Y624 WeakPolarHBondContact CD2-O 3.46Å; F618-Y624 AromaticContact CE1-CD2 3.66Å; F618-Y624 HydrophobicContact CE1-CD2 3.66Å; F618-Y624 HydrophobicContact CE1-CG 4.36Å; F618-Y624 WeakPolarHBondContact CE2-O 3.46Å; F618-Y624 AromaticContact CG-CD2 3.99Å; F618-Y624 HydrophobicContact CG-CD2 3.99Å; F618-Y624 HydrophobicContact CZ-CD2 4.16Å; F618-Y624 HydrophobicContact CZ-CG 4.43Å; F622-Y624 PolarHBondContact O-N 2.04Å; Y624-N628 WeakPolarHBondContact CA-OD1 3.24Å; Y624-W629 HydrophobicContact CD1-CE3 4.35Å; Y624-W629 HydrophobicContact CD1-CZ3 4.25Å; Y624-W629 HydrophobicContact CG-CE3 4.25Å; Y624-W629 AromaticContact CG-CZ3 4Å; Y624-W629 HydrophobicContact CG-CZ3 4Å; Y624-Q632 HydrophobicContact CD1-CG 4.27Å; Y624-Q632 HydrophobicContact CE1-CG 4.45Å; Y624-I636 HydrophobicContact CD1-CD1 3.91Å; Y624-I636 HydrophobicContact CD2-CD1 4.4Å; Y624-I636 HydrophobicContact CE1-CD1 3.47Å; Y624-I636 VanDerWaalsContact CE1-CD1 3.47Å; Y624-I636 HydrophobicContact CE1-CG1 3.81Å; Y624-I636 HydrophobicContact CE2-CD1 4Å; Y624-I636 HydrophobicContact CE2-CG1 4.32Å; Y624-I636 HydrophobicContact CG-CD1 4.36Å; Y624-I636 VanDerWaalsContact OH-CG1 3.29Å; Y624-I636 WeakPolarHBondContact OH-CG1 2.98Å; Y624-N637 PolarHBondContact OH-O 2.76Å; Y624-H640 HydrophobicContact CE2-CB 4.23Å; Y624-I641 HydrophobicContact CE2-CG1 4.43Å
625	S	95.4	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-150.6	166.9	178.8	70.2	0	0	0	0	109.2	A224 S627 N628 W629	A224-S625 WeakPolarHBondContact CB-OG 3.5Å; S625-S627 PolarHBondContact O-N 3.21Å; S625-S627 PolarHBondContact OG-OG 3.29Å; S625-S627 VanDerWaalsContact OG-OG 3.07Å; S625-N628 PolarHBondContact N-OD1 3.44Å; S625-N628 PolarHBondContact O-N 2.92Å; S625-N628 VanDerWaalsContact O-N 3.12Å; S625-N628 PolarHBondContact O-OD1 3.02Å; S625-W629 WeakPolarHBondContact O-CB 3.48Å; S625-W629 PolarHBondContact O-N 3.46Å
626	T	93.8	Very high	93	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.025	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20	-179	51.3	0	0	0	0	114.5	D226 I229 L322 N323 L472 P474	D226-T626 WeakPolarHBondContact CA-OG1 3.47Å; D226-T626 WeakPolarHBondContact OD1-CB 3.45Å; D226-T626 VanDerWaalsContact OD1-CG2 3.28Å; D226-T626 WeakPolarHBondContact OD1-CG2 2.83Å; D226-T626 PolarHBondContact OD1-N 2.98Å; D226-T626 PolarHBondContact OD1-OG1 3.09Å; I229-T626 HydrophobicContact CB-CG2 4.44Å; I229-T626 HydrophobicContact CD1-CG2 3.91Å; I229-T626 HydrophobicContact CG2-CG2 3.81Å; I229-T626 WeakPolarHBondContact CG2-OG1 3.48Å; L322-T626 CarbonylContact C-O 3.52Å; N323-T626 HydrophobicContact CB-CG2 3.99Å; N323-T626 PolarHBondContact N-O 3.05Å; L472-T626 VanDerWaalsContact O-CG2 3.32Å; L472-T626 WeakPolarHBondContact O-CG2 3.33Å; P474-T626 VanDerWaalsContact CD-CG2 3.4Å; P474-T626 HydrophobicContact CG-CG2 4.27Å
627	S	92.7	Very high	92.7	Very high	48 Å²	48	40 Å²	40	34%	0.336	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-25.9	177.3	50.2	0	0	0	0	114	A224 S225 S625	A224-S627 WeakPolarHBondContact CB-OG 3.24Å; S225-S627 PolarHBondContact N-OG 2.95Å; S225-S627 WeakPolarHBondContact O-CB 3.43Å; S225-S627 PolarHBondContact O-OG 3.14Å; S625-S627 PolarHBondContact O-N 3.21Å; S625-S627 PolarHBondContact OG-OG 3.29Å; S625-S627 VanDerWaalsContact OG-OG 3.07Å
628	N	94.3	Very high	92.5	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.171	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.9	-179.9	74.9	8.2	0	0	0	113.8	A224 Q623 Y624 S625 N631 Q632	A224-N628 HydrophobicContact CB-CB 4.01Å; Q623-N628 PolarHBondContact O-ND2 3.08Å; Y624-N628 WeakPolarHBondContact CA-OD1 3.24Å; S625-N628 PolarHBondContact N-OD1 3.44Å; S625-N628 PolarHBondContact O-N 2.92Å; S625-N628 VanDerWaalsContact O-N 3.12Å; S625-N628 PolarHBondContact O-OD1 3.02Å; N628-N631 PolarHBondContact O-N 3.01Å; N628-Q632 PolarHBondContact O-NE2 3.34Å; N628-Q632 VanDerWaalsContact O-NE2 3.07Å
629	W	95.6	Very high	92.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66	-41	-176.8	-173.3	-101	0	0	0	113	L264 N323 F325 F470 L472 Y624 S625 N631 Q632 I636	L264-W629 HydrophobicContact CD1-CH2 3.87Å; L264-W629 HydrophobicContact CD1-CZ2 3.3Å; L264-W629 HydrophobicContact CD2-CH2 3.98Å; L264-W629 HydrophobicContact CD2-CZ2 4.22Å; L264-W629 HydrophobicContact CG-CZ2 4.42Å; N323-W629 VanDerWaalsContact C-CD1 3.45Å; F325-W629 AromaticContact CD1-CD1 3.92Å; F325-W629 HydrophobicContact CD1-CD2 4.41Å; F325-W629 AromaticContact CD1-CE2 3.87Å; F325-W629 HydrophobicContact CD1-CG 4.48Å; F325-W629 HydrophobicContact CD1-CZ2 4.3Å; F325-W629 AromaticContact CD1-NE1 3.55Å; F325-W629 WeakPolarHBondContact CD1-O 3.43Å; F325-W629 HydrophobicContact CE1-CD2 4.1Å; F325-W629 AromaticContact CE1-CE2 3.42Å; F325-W629 VanDerWaalsContact CE1-CE2 3.42Å; F325-W629 HydrophobicContact CE1-CH2 4.11Å; F325-W629 AromaticContact CE1-CZ2 3.41Å; F325-W629 HydrophobicContact CE1-CZ2 3.41Å; F325-W629 VanDerWaalsContact CE1-CZ2 3.41Å; F325-W629 AromaticContact CE1-NE1 3.57Å; F325-W629 HydrophobicContact CZ-CZ2 4.12Å; F470-W629 HydrophobicContact CB-CZ2 4.25Å; F470-W629 PolarHBondContact O-NE1 3.36Å; L472-W629 HydrophobicContact CB-CB 4.19Å; L472-W629 HydrophobicContact CB-CD2 3.65Å; L472-W629 HydrophobicContact CB-CE3 4.24Å; L472-W629 HydrophobicContact CB-CG 3.61Å; L472-W629 HydrophobicContact CD2-CB 4.28Å; L472-W629 HydrophobicContact CD2-CD2 4.01Å; L472-W629 HydrophobicContact CD2-CE3 3.79Å; L472-W629 HydrophobicContact CD2-CG 4.24Å; L472-W629 HydrophobicContact CD2-CZ3 4.45Å; L472-W629 HydrophobicContact CG-CD2 4.36Å; L472-W629 HydrophobicContact CG-CE3 4.48Å; Y624-W629 HydrophobicContact CD1-CE3 4.35Å; Y624-W629 HydrophobicContact CD1-CZ3 4.25Å; Y624-W629 HydrophobicContact CG-CE3 4.25Å; Y624-W629 AromaticContact CG-CZ3 4Å; Y624-W629 HydrophobicContact CG-CZ3 4Å; S625-W629 WeakPolarHBondContact O-CB 3.48Å; S625-W629 PolarHBondContact O-N 3.46Å; W629-N631 PolarHBondContact O-N 3.43Å; W629-N631 VanDerWaalsContact O-N 3.17Å; W629-Q632 HydrophobicContact CE3-CG 4.21Å; W629-Q632 VanDerWaalsContact O-CB 3.25Å; W629-Q632 WeakPolarHBondContact O-CB 3.35Å; W629-Q632 VanDerWaalsContact O-CG 3.29Å; W629-Q632 WeakPolarHBondContact O-CG 3.44Å; W629-Q632 PolarHBondContact O-N 2.84Å; W629-I636 HydrophobicContact CE3-CD1 4.41Å; W629-I636 HydrophobicContact CH2-CD1 3.75Å; W629-I636 HydrophobicContact CZ3-CD1 3.5Å; W629-I636 VanDerWaalsContact CZ3-CD1 3.5Å
630	G	93	Very high	92.2	Very high	24 Å²	24	45.7 Å²	45.7	25%	0.247	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.2	179	0	0	0	0	0	113.8	L322 Q632	L322-G630 VanDerWaalsContact O-CA 3.25Å; L322-G630 WeakPolarHBondContact O-CA 3.3Å; L322-G630 PolarHBondContact O-N 2.96Å; G630-Q632 VanDerWaalsContact C-N 3.33Å
631	N	91.4	Very high	92.3	Very high	134 Å²	134	38 Å²	38	72%	0.717	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-87.4	-3.9	174.9	-62.2	-16.5	0	0	0	112.7	N628 W629	N628-N631 PolarHBondContact O-N 3.01Å; W629-N631 PolarHBondContact O-N 3.43Å; W629-N631 VanDerWaalsContact O-N 3.17Å
632	Q	93	Very high	92.3	Very high	53 Å²	53	38.3 Å²	38.3	25%	0.248	21%	0.213	C	C	.	.			trans	-78.3	167.1	177.3	-55	-53.2	-46.9	0	0	111.3	F325 Y624 N628 W629 G630 I636	F325-Q632 HydrophobicContact CD1-CB 3.91Å; F325-Q632 HydrophobicContact CE1-CB 3.72Å; F325-Q632 HydrophobicContact CZ-CB 4.35Å; Y624-Q632 HydrophobicContact CD1-CG 4.27Å; Y624-Q632 HydrophobicContact CE1-CG 4.45Å; N628-Q632 PolarHBondContact O-NE2 3.34Å; N628-Q632 VanDerWaalsContact O-NE2 3.07Å; W629-Q632 HydrophobicContact CE3-CG 4.21Å; W629-Q632 VanDerWaalsContact O-CB 3.25Å; W629-Q632 WeakPolarHBondContact O-CB 3.35Å; W629-Q632 VanDerWaalsContact O-CG 3.29Å; W629-Q632 WeakPolarHBondContact O-CG 3.44Å; W629-Q632 PolarHBondContact O-N 2.84Å; G630-Q632 VanDerWaalsContact C-N 3.33Å; Q632-I636 HydrophobicContact CB-CD1 4.39Å; Q632-I636 HydrophobicContact CG-CD1 4.22Å
633	T	89.2	Confident	92.3	Very high	77 Å²	77	43.2 Å²	43.2	47%	0.472	23%	0.231	S	C	.	.			trans	-125.8	173	176.4	70.5	0	0	0	0	110	F325 Q635 I636	F325-T633 VanDerWaalsContact CE2-C 3.49Å; T633-Q635 PolarHBondContact O-N 3.35Å; T633-Q635 VanDerWaalsContact O-N 3.11Å; T633-Q635 PolarHBondContact OG1-N 2.74Å; T633-I636 PolarHBondContact O-N 3.35Å
634	C	87.8	Confident	92.3	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.074	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	176.2	-52.1	0	0	0	0	113.5	C327 I329 S331 I636	C327-C634 WeakPolarHBondContact CA-SG 3.12Å; C327-C634 HydrophobicContact CB-CB 4.07Å; C327-C634 WeakPolarHBondContact CB-SG 3.47Å; C327-C634 WeakPolarHBondContact SG-CA 3.22Å; C327-C634 WeakPolarHBondContact SG-CB 3.47Å; C327-C634 CovalentContact SG-SG 2.02Å; C327-C634 PolarHBondContact SG-SG 2.84Å; I329-C634 HydrophobicContact CD1-CB 4.29Å; I329-C634 HydrophobicContact CG1-CB 3.96Å; S331-C634 WeakPolarHBondContact CB-O 3.4Å; S331-C634 PolarHBondContact OG-O 3.43Å; C634-I636 PolarHBondContact O-N 3Å
635	Q	85.4	Confident	92.3	Very high	91 Å²	91	43.5 Å²	43.5	43%	0.425	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	29.8	179.7	-56.5	-59.7	-14.4	0	0	112.7	T633	T633-Q635 PolarHBondContact O-N 3.35Å; T633-Q635 VanDerWaalsContact O-N 3.11Å; T633-Q635 PolarHBondContact OG1-N 2.74Å
636	I	89.4	Confident	92.2	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.036	25%	0.25	C	C	.	.			trans	-57	141.5	172.6	-170.2	169.3	0	0	0	110.9	L333 Y624 W629 Q632 T633 C634 I638	L333-I636 HydrophobicContact CB-CG2 3.98Å; L333-I636 HydrophobicContact CD1-CG2 4.49Å; L333-I636 HydrophobicContact CD2-CG2 3.94Å; L333-I636 HydrophobicContact CG-CG2 4.37Å; Y624-I636 HydrophobicContact CD1-CD1 3.91Å; Y624-I636 HydrophobicContact CD2-CD1 4.4Å; Y624-I636 HydrophobicContact CE1-CD1 3.47Å; Y624-I636 VanDerWaalsContact CE1-CD1 3.47Å; Y624-I636 HydrophobicContact CE1-CG1 3.81Å; Y624-I636 HydrophobicContact CE2-CD1 4Å; Y624-I636 HydrophobicContact CE2-CG1 4.32Å; Y624-I636 HydrophobicContact CG-CD1 4.36Å; Y624-I636 VanDerWaalsContact OH-CG1 3.29Å; Y624-I636 WeakPolarHBondContact OH-CG1 2.98Å; W629-I636 HydrophobicContact CE3-CD1 4.41Å; W629-I636 HydrophobicContact CH2-CD1 3.75Å; W629-I636 HydrophobicContact CZ3-CD1 3.5Å; W629-I636 VanDerWaalsContact CZ3-CD1 3.5Å; Q632-I636 HydrophobicContact CB-CD1 4.39Å; Q632-I636 HydrophobicContact CG-CD1 4.22Å; T633-I636 PolarHBondContact O-N 3.35Å; C634-I636 PolarHBondContact O-N 3Å; I636-I638 HydrophobicContact CG2-CG2 4.26Å; I636-I638 PolarHBondContact O-N 3.16Å
637	N	89.5	Confident	92.3	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	25%	0.251	S	S	.	.			trans	-75.3	101.3	175.2	-174.8	7.1	0	0	0	110.4	Y624 S639 H640	Y624-N637 PolarHBondContact OH-O 2.76Å; N637-S639 VanDerWaalsContact CG-OG 3.29Å; N637-S639 PolarHBondContact ND2-OG 2.98Å; N637-S639 PolarHBondContact O-N 3.23Å; N637-S639 WeakPolarHBondContact OD1-CB 3.19Å; N637-S639 PolarHBondContact OD1-N 3.36Å; N637-S639 PolarHBondContact OD1-OG 2.96Å; N637-H640 PolarHBondContact ND2-CD2 2.89Å; N637-H640 PolarHBondContact ND2-NE2 3.23Å
638	I	90.5	Very high	92.5	Very high	37 Å²	37	45 Å²	45	19%	0.19	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.7	-10.7	179.5	65.1	166.7	0	0	0	113.5	P332 L333 K336 I636 H640 I641	P332-I638 HydrophobicContact CB-CD1 3.61Å; P332-I638 HydrophobicContact CB-CG1 3.99Å; P332-I638 HydrophobicContact CB-CG2 4.32Å; L333-I638 HydrophobicContact CB-CG2 4.17Å; K336-I638 HydrophobicContact CB-CD1 4.07Å; K336-I638 HydrophobicContact CD-CD1 4.19Å; I636-I638 HydrophobicContact CG2-CG2 4.26Å; I636-I638 PolarHBondContact O-N 3.16Å; I638-H640 PolarHBondContact O-N 3.08Å; I638-H640 VanDerWaalsContact O-N 3.11Å; I638-I641 HydrophobicContact CB-CD1 4.48Å; I638-I641 HydrophobicContact CG2-CD1 4.32Å; I638-I641 PolarHBondContact O-N 2.76Å
639	S	90.9	Very high	92.5	Very high	60 Å²	60	44 Å²	44	42%	0.42	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.9	-14.7	178.9	76.8	0	0	0	0	113.6	N637 H642	N637-S639 VanDerWaalsContact CG-OG 3.29Å; N637-S639 PolarHBondContact ND2-OG 2.98Å; N637-S639 PolarHBondContact O-N 3.23Å; N637-S639 WeakPolarHBondContact OD1-CB 3.19Å; N637-S639 PolarHBondContact OD1-N 3.36Å; N637-S639 PolarHBondContact OD1-OG 2.96Å; S639-H642 PolarHBondContact O-CE1 2.87Å; S639-H642 PolarHBondContact O-NE2 3Å
640	H	92.5	Very high	92.3	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-97.2	0.9	176.8	-63.3	-75.3	0	0	0	113.1	F618 S619 Q623 Y624 N637 I638 H642	F618-H640 WeakPolarHBondContact CA-O 3.42Å; S619-H640 PolarHBondContact N-O 3.45Å; S619-H640 VanDerWaalsContact N-O 3.15Å; S619-H640 PolarHBondContact OG-ND1 2.03Å; Q623-H640 PolarHBondContact NE2-CD2 2.99Å; Q623-H640 VanDerWaalsContact NE2-CD2 3.26Å; Q623-H640 PolarHBondContact NE2-ND1 2.92Å; Y624-H640 HydrophobicContact CE2-CB 4.23Å; N637-H640 PolarHBondContact ND2-CD2 2.89Å; N637-H640 PolarHBondContact ND2-NE2 3.23Å; I638-H640 PolarHBondContact O-N 3.08Å; I638-H640 VanDerWaalsContact O-N 3.11Å; H640-H642 PolarHBondContact O-CD2 3.03Å
641	I	94.5	Very high	92.3	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.8	-178.9	-51.7	-177.8	0	0	0	107.7	L337 V616 F618 Y624 I638	L337-I641 HydrophobicContact CD2-CD1 4.19Å; L337-I641 HydrophobicContact CD2-CG2 4.19Å; V616-I641 HydrophobicContact CB-CG2 3.79Å; V616-I641 HydrophobicContact CG1-CG2 3.62Å; V616-I641 HydrophobicContact CG2-CG2 4.14Å; F618-I641 HydrophobicContact CD1-CG1 4.17Å; F618-I641 HydrophobicContact CE1-CD1 4.49Å; F618-I641 HydrophobicContact CE1-CG1 3.97Å; F618-I641 HydrophobicContact CE1-CG2 4.25Å; Y624-I641 HydrophobicContact CE2-CG1 4.43Å; I638-I641 HydrophobicContact CB-CD1 4.48Å; I638-I641 HydrophobicContact CG2-CD1 4.32Å; I638-I641 PolarHBondContact O-N 2.76Å
642	H	95.2	Very high	92.4	Very high	22 Å²	22	50.4 Å²	50.4	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	159.7	-176.3	-56.4	-81.3	0	0	0	110.6	F598 V616 Q617 S639 H640 A644	F598-H642 HydrophobicContact CB-CB 4.39Å; F598-H642 HydrophobicContact CD1-CB 3.94Å; F598-H642 AromaticContact CD1-CD2 3.67Å; F598-H642 AromaticContact CD1-CG 3.74Å; F598-H642 AromaticContact CG-CD2 3.83Å; F598-H642 AromaticContact CG-CG 3.94Å; V616-H642 CarbonylContact C-O 3.54Å; V616-H642 WeakPolarHBondContact CA-O 3.26Å; V616-H642 WeakPolarHBondContact CB-O 3.43Å; Q617-H642 PolarHBondContact N-O 3.33Å; Q617-H642 PolarHBondContact O-N 2.72Å; S639-H642 PolarHBondContact O-CE1 2.87Å; S639-H642 PolarHBondContact O-NE2 3Å; H640-H642 PolarHBondContact O-CD2 3.03Å; H642-A644 PolarHBondContact O-N 3.03Å
643	R	94.9	Very high	92.4	Very high	112 Å²	112	53.3 Å²	53.3	42%	0.423	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	140.5	167.9	-177.9	176.6	178.6	-178.7	1.2	109.8	E601 Q645	E601-R643 IonicContact OE2-CZ 2.7Å; E601-R643 IonicContact OE2-NH1 3.1Å; E601-R643 PolarHBondContact OE2-NH1 3.3Å; R643-Q645 WeakPolarHBondContact O-CG 3.45Å; R643-Q645 PolarHBondContact O-N 3.2Å; R643-Q645 PolarHBondContact O-NE2 2.71Å; R643-Q645 VanDerWaalsContact O-NE2 3.15Å
644	A	94.8	Very high	92.6	Very high	30 Å²	30	50 Å²	50	25%	0.248	26%	0.255	C	S	.	.	S	Bend	trans	-48.8	123.1	178.5	0	0	0	0	0	112	Q261 V615 H642	Q261-A644 HydrophobicContact CB-CB 4.31Å; V615-A644 HydrophobicContact CB-CB 4.08Å; V615-A644 HydrophobicContact CG1-CB 3.69Å; V615-A644 PolarHBondContact O-N 3.01Å; H642-A644 PolarHBondContact O-N 3.03Å
645	Q	94.3	Very high	92.9	Very high	40 Å²	40	52.4 Å²	52.4	19%	0.187	27%	0.272	C	S	.	.			trans	-163.5	162.8	-179.1	65	-170	-72.6	0	0	108.8	F598 Q617 R643 I647	F598-Q645 HydrophobicContact CD1-CG 4.17Å; F598-Q645 HydrophobicContact CE1-CG 4.41Å; Q617-Q645 HydrophobicContact CB-CG 4.45Å; Q617-Q645 WeakPolarHBondContact CG-O 3.02Å; Q617-Q645 PolarHBondContact NE2-O 3.38Å; R643-Q645 WeakPolarHBondContact O-CG 3.45Å; R643-Q645 PolarHBondContact O-N 3.2Å; R643-Q645 PolarHBondContact O-NE2 2.71Å; R643-Q645 VanDerWaalsContact O-NE2 3.15Å; Q645-I647 PolarHBondContact O-N 2.83Å
646	P	94.6	Very high	93.3	Very high	39 Å²	39	48.4 Å²	48.4	25%	0.253	25%	0.254	S	S	.	.			trans	-60.2	138.6	172.1	-27.2	39.2	0	0	0	111.7	K593 Y648 E650	K593-P646 WeakPolarHBondContact CD-O 3.11Å; K593-P646 WeakPolarHBondContact CE-O 3.17Å; K593-P646 PolarHBondContact NZ-O 3.4Å; P646-Y648 HydrophobicContact CB-CD1 4.23Å; P646-Y648 HydrophobicContact CB-CD2 4.13Å; P646-Y648 HydrophobicContact CB-CE1 3.98Å; P646-Y648 HydrophobicContact CB-CE2 3.86Å; P646-Y648 HydrophobicContact CB-CG 4.31Å; P646-Y648 PolarHBondContact O-N 2.93Å; P646-E650 HydrophobicContact CB-CG 4.24Å; P646-E650 HydrophobicContact CG-CG 4.16Å; P646-E650 WeakPolarHBondContact CG-OE1 3.4Å
647	I	95.1	Very high	93.3	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.046	27%	0.273	C	S	.	.	S	Bend	trans	-73.8	-11	176.9	-160.6	167.2	0	0	0	112.6	L258 I578 L592 K593 F598 Q617 P621 Q645	L258-I647 HydrophobicContact CD1-CG2 4.23Å; I578-I647 HydrophobicContact CD1-CG2 4.15Å; I578-I647 HydrophobicContact CG1-CG2 4.37Å; L592-I647 HydrophobicContact CD1-CD1 4.46Å; L592-I647 HydrophobicContact CD1-CG1 3.98Å; K593-I647 WeakPolarHBondContact CB-O 3.31Å; K593-I647 PolarHBondContact N-O 3.4Å; F598-I647 HydrophobicContact CZ-CG1 4.27Å; Q617-I647 HydrophobicContact CG-CB 4.37Å; P621-I647 HydrophobicContact CB-CD1 4.47Å; P621-I647 HydrophobicContact CG-CD1 3.85Å; Q645-I647 PolarHBondContact O-N 2.83Å
648	Y	95.8	Very high	93.2	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.141	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-108.4	156.4	178.6	51.3	-94.7	0	0	0	112.3	T484 I578 F590 Q591 K593 P646 E650	T484-Y648 HydrophobicContact CG2-CD1 4.48Å; T484-Y648 HydrophobicContact CG2-CE1 4.3Å; I578-Y648 HydrophobicContact CB-CD1 4.22Å; I578-Y648 HydrophobicContact CB-CG 4.38Å; I578-Y648 HydrophobicContact CG1-CD1 4.47Å; I578-Y648 HydrophobicContact CG2-CD1 3.67Å; I578-Y648 HydrophobicContact CG2-CE1 4.32Å; I578-Y648 HydrophobicContact CG2-CG 4.26Å; F590-Y648 HydrophobicContact CB-CD2 3.86Å; F590-Y648 HydrophobicContact CB-CG 3.92Å; F590-Y648 AromaticContact CD1-CD2 3.49Å; F590-Y648 HydrophobicContact CD1-CD2 3.49Å; F590-Y648 VanDerWaalsContact CD1-CD2 3.49Å; F590-Y648 AromaticContact CD1-CE2 3.94Å; F590-Y648 HydrophobicContact CD1-CE2 3.94Å; F590-Y648 HydrophobicContact CD1-CG 4.39Å; F590-Y648 AromaticContact CD2-CD2 3.92Å; F590-Y648 HydrophobicContact CD2-CD2 3.92Å; F590-Y648 HydrophobicContact CD2-CE2 4.11Å; F590-Y648 HydrophobicContact CD2-CG 4.32Å; F590-Y648 AromaticContact CE1-CD2 3.85Å; F590-Y648 HydrophobicContact CE1-CD2 3.85Å; F590-Y648 AromaticContact CE1-CE2 3.79Å; F590-Y648 HydrophobicContact CE1-CE2 3.79Å; F590-Y648 HydrophobicContact CE2-CD2 4.27Å; F590-Y648 HydrophobicContact CE2-CE2 4.01Å; F590-Y648 AromaticContact CG-CD2 3.5Å; F590-Y648 HydrophobicContact CG-CD2 3.5Å; F590-Y648 HydrophobicContact CG-CE2 4.08Å; F590-Y648 HydrophobicContact CG-CG 4Å; F590-Y648 HydrophobicContact CZ-CD2 4.24Å; F590-Y648 AromaticContact CZ-CE2 3.85Å; F590-Y648 HydrophobicContact CZ-CE2 3.85Å; Q591-Y648 CarbonylContact O-C 3.59Å; Q591-Y648 WeakPolarHBondContact O-CA 3.1Å; Q591-Y648 WeakPolarHBondContact O-CB 3.4Å; K593-Y648 WeakPolarHBondContact CE-O 3.36Å; P646-Y648 HydrophobicContact CB-CD1 4.23Å; P646-Y648 HydrophobicContact CB-CD2 4.13Å; P646-Y648 HydrophobicContact CB-CE1 3.98Å; P646-Y648 HydrophobicContact CB-CE2 3.86Å; P646-Y648 HydrophobicContact CB-CG 4.31Å; P646-Y648 PolarHBondContact O-N 2.93Å; Y648-E650 HydrophobicContact CD2-CG 4.25Å; Y648-E650 HydrophobicContact CE2-CG 4.03Å; Y648-E650 PolarHBondContact O-N 3.28Å
649	A	94.4	Very high	92.7	Very high	11 Å²	11	50.9 Å²	50.9	9%	0.091	27%	0.267	C	S	.	.			trans	-80.2	101	180	0	0	0	0	0	110.2	Q591 K593 N651 T652	Q591-A649 PolarHBondContact O-N 3.08Å; K593-A649 HydrophobicContact CG-CB 4.22Å; A649-N651 PolarHBondContact O-N 2.71Å; A649-T652 HydrophobicContact CB-CG2 3.82Å; A649-T652 WeakPolarHBondContact O-CB 3.17Å; A649-T652 PolarHBondContact O-N 3.13Å; A649-T652 PolarHBondContact O-OG1 3.49Å
650	E	92.3	Very high	92	Very high	117 Å²	117	50.7 Å²	50.7	55%	0.547	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58.4	-33.3	-171.9	-65.9	176.1	-116.6	0	0	113.9	P646 Y648 T652 K653	P646-E650 HydrophobicContact CB-CG 4.24Å; P646-E650 HydrophobicContact CG-CG 4.16Å; P646-E650 WeakPolarHBondContact CG-OE1 3.4Å; Y648-E650 HydrophobicContact CD2-CG 4.25Å; Y648-E650 HydrophobicContact CE2-CG 4.03Å; Y648-E650 PolarHBondContact O-N 3.28Å; E650-T652 PolarHBondContact O-N 3.1Å; E650-T652 VanDerWaalsContact O-N 3.16Å; E650-K653 PolarHBondContact O-N 3.12Å
651	N	93.2	Very high	91.3	Very high	150 Å²	150	55.4 Å²	55.4	80%	0.802	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-65.5	-12.4	175.7	64.8	-26	0	0	0	114	A649	A649-N651 PolarHBondContact O-N 2.71Å
652	T	93.1	Very high	90.6	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.153	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-94.1	6.4	179.4	68.7	0	0	0	0	113.7	W574 Q591 A649 E650 V654	W574-T652 VanDerWaalsContact CH2-O 3.32Å; W574-T652 WeakPolarHBondContact CH2-O 3.11Å; W574-T652 HydrophobicContact CZ2-CG2 4.44Å; Q591-T652 HydrophobicContact CB-CG2 3.99Å; Q591-T652 PolarHBondContact N-OG1 3.1Å; A649-T652 HydrophobicContact CB-CG2 3.82Å; A649-T652 WeakPolarHBondContact O-CB 3.17Å; A649-T652 PolarHBondContact O-N 3.13Å; A649-T652 PolarHBondContact O-OG1 3.49Å; E650-T652 PolarHBondContact O-N 3.1Å; E650-T652 VanDerWaalsContact O-N 3.16Å; T652-V654 PolarHBondContact O-N 3.06Å
653	K	94.1	Very high	89.9	Confident	114 Å²	114	61.4 Å²	61.4	50%	0.496	32%	0.321	S	S	.	.			trans	-49.2	123.5	-176.9	-170.5	176.6	176.9	-174.6	0	112.4	F590 E650	F590-K653 HydrophobicContact CD1-CB 3.98Å; F590-K653 HydrophobicContact CD1-CG 4.47Å; F590-K653 HydrophobicContact CE1-CB 3.38Å; F590-K653 HydrophobicContact CE1-CD 4.21Å; F590-K653 HydrophobicContact CE1-CG 3.65Å; F590-K653 HydrophobicContact CE2-CG 4.37Å; F590-K653 HydrophobicContact CZ-CB 3.9Å; F590-K653 HydrophobicContact CZ-CD 3.93Å; F590-K653 HydrophobicContact CZ-CG 3.58Å; E650-K653 PolarHBondContact O-N 3.12Å
654	V	93.3	Very high	89.4	Confident	8 Å²	8	61.2 Å²	61.2	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116	166.7	-178.3	0	0	0	0	109.3	L571 P572 W574 S588 L589 T652 V656 K679	L571-V654 HydrophobicContact CD2-CG1 3.89Å; P572-V654 HydrophobicContact CG-CB 4.48Å; P572-V654 HydrophobicContact CG-CG2 3.61Å; W574-V654 HydrophobicContact CH2-CG2 4.31Å; S588-V654 CarbonylContact C-O 3.54Å; S588-V654 WeakPolarHBondContact CA-O 3.31Å; L589-V654 PolarHBondContact N-O 2.82Å; L589-V654 PolarHBondContact O-N 2.87Å; T652-V654 PolarHBondContact O-N 3.06Å; V654-V656 HydrophobicContact CG1-CG1 3.97Å; V654-V656 PolarHBondContact O-N 3.1Å; V654-K679 HydrophobicContact CG1-CD 4.4Å
655	S	93	Very high	89	Confident	61 Å²	61	61.3 Å²	61.3	43%	0.427	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.1	171.2	-58	0	0	0	0	109.4	N676	S655-N676 PolarHBondContact O-ND2 3.4Å
656	V	93.5	Very high	88.5	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.048	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.8	-176.4	-67.2	0	0	0	0	110.1	L571 I587 L589 V654 L674 K675	L571-V656 HydrophobicContact CD2-CG1 4.2Å; I587-V656 HydrophobicContact CB-CG2 4.35Å; I587-V656 HydrophobicContact CG2-CG2 3.83Å; I587-V656 PolarHBondContact O-N 3.47Å; L589-V656 HydrophobicContact CB-CG1 4.3Å; L589-V656 HydrophobicContact CB-CG2 4.27Å; V654-V656 HydrophobicContact CG1-CG1 3.97Å; V654-V656 PolarHBondContact O-N 3.1Å; V656-L674 HydrophobicContact CB-CB 4.42Å; V656-L674 HydrophobicContact CB-CD2 4.5Å; V656-L674 HydrophobicContact CG2-CD1 4.43Å; V656-L674 HydrophobicContact CG2-CD2 4.04Å; V656-K675 CarbonylContact C-O 3.46Å; V656-K675 WeakPolarHBondContact CA-O 3.4Å
657	E	90.7	Very high	87.9	Confident	95 Å²	95	67.6 Å²	67.6	44%	0.444	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.6	170.3	-65.8	168.3	-153.9	0	0	108.6	L674 K675	E657-L674 WeakPolarHBondContact O-CA 3.21Å; E657-K675 HydrophobicContact CB-CG 3.86Å; E657-K675 PolarHBondContact N-O 2.87Å; E657-K675 PolarHBondContact O-N 3.3Å; E657-K675 WeakPolarHBondContact OE2-CE 3.24Å; E657-K675 IonicContact OE2-NZ 3.16Å; E657-K675 PolarHBondContact OE2-NZ 2.97Å
658	T	85.9	Confident	87.6	Confident	39 Å²	39	72 Å²	72	24%	0.239	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	169.2	52.8	0	0	0	0	108.6	I587 S660 Y672 T673 L674	I587-T658 HydrophobicContact CD1-CG2 3.83Å; T658-S660 WeakPolarHBondContact CB-O 3.42Å; T658-S660 PolarHBondContact O-N 2.87Å; T658-Y672 HydrophobicContact CG2-CD1 4.18Å; T658-T673 WeakPolarHBondContact CA-O 3.46Å; T658-L674 HydrophobicContact CG2-CD2 4.11Å
659	T	79.7	Confident	87.4	Confident	42 Å²	42	70.2 Å²	70.2	26%	0.258	38%	0.377	S	S	.	.	S	Bend	trans	-69.4	-25.1	178	59.6	0	0	0	0	112	L214 T673 K675	L214-T659 HydrophobicContact CD1-CG2 3.61Å; T659-T673 HydrophobicContact CG2-CG2 4.09Å; T659-T673 PolarHBondContact N-O 3.45Å; T659-T673 VanDerWaalsContact N-O 3.08Å; T659-T673 WeakPolarHBondContact OG1-CB 3.09Å; T659-K675 HydrophobicContact CG2-CB 4.21Å; T659-K675 HydrophobicContact CG2-CD 3.88Å; T659-K675 HydrophobicContact CG2-CG 4.06Å
660	S	77	Confident	87.4	Confident	57 Å²	57	69.9 Å²	69.9	40%	0.399	37%	0.373	S	S	.	.	S	Bend	trans	-150.2	160.4	177.2	57.2	0	0	0	0	109.4	T658	T658-S660 WeakPolarHBondContact CB-O 3.42Å; T658-S660 PolarHBondContact O-N 2.87Å
661	I	78.3	Confident	87.4	Confident	137 Å²	137	65.3 Å²	65.3	70%	0.703	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-53.2	133.4	170.6	-60.4	171.1	0	0	0	108.4	Q663	I661-Q663 WeakPolarHBondContact O-CG 3.08Å; I661-Q663 PolarHBondContact O-N 2.78Å; I661-Q663 VanDerWaalsContact O-N 3.15Å
662	P	80.3	Confident	87.4	Confident	20 Å²	20	58.2 Å²	58.2	13%	0.13	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-53.3	122.3	178.3	-27.2	35.1	0	0	0	111.2	F670 L671 Y672	P662-F670 HydrophobicContact CB-CB 4.35Å; P662-F670 HydrophobicContact CB-CD1 4.07Å; P662-L671 WeakPolarHBondContact CA-O 3.36Å; P662-Y672 HydrophobicContact CB-CD1 4.28Å; P662-Y672 HydrophobicContact CB-CE1 4.08Å; P662-Y672 HydrophobicContact CG-CD1 3.73Å; P662-Y672 HydrophobicContact CG-CE1 3.5Å
663	Q	79.3	Confident	87.4	Confident	140 Å²	140	57.2 Å²	57.2	65%	0.654	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.3	-179	-67.6	-173	-18.5	0	0	110.4	I661 F670 L671	I661-Q663 WeakPolarHBondContact O-CG 3.08Å; I661-Q663 PolarHBondContact O-N 2.78Å; I661-Q663 VanDerWaalsContact O-N 3.15Å; Q663-F670 WeakPolarHBondContact O-CA 3.5Å; Q663-L671 PolarHBondContact O-N 3.25Å
664	R	85.6	Confident	87.3	Confident	108 Å²	108	51.9 Å²	51.9	41%	0.408	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130	172.6	-69	-177.2	-174.9	-93.5	5	110.2	I250 N668 A669 F670	I250-R664 PolarHBondContact O-NH2 2.92Å; R664-N668 PolarHBondContact NH1-O 3.03Å; R664-A669 CarbonylContact C-O 3.6Å; R664-A669 VanDerWaalsContact CA-O 3.31Å; R664-A669 WeakPolarHBondContact CA-O 3.07Å; R664-F670 HydrophobicContact CG-CD1 4.22Å; R664-F670 HydrophobicContact CG-CE1 4Å; R664-F670 HydrophobicContact CG-CE2 4.39Å; R664-F670 HydrophobicContact CG-CZ 4.11Å; R664-F670 VanDerWaalsContact CZ-CE2 3.42Å; R664-F670 VanDerWaalsContact NH2-CZ 3.28Å
665	T	85.4	Confident	87.2	Confident	31 Å²	31	54.7 Å²	54.7	19%	0.19	30%	0.297	C	S	.	.			trans	-78.3	176.6	171	65.9	0	0	0	0	110.6	E218 S667 N668 A669 L671	E218-T665 HydrophobicContact CG-CG2 4.48Å; T665-S667 PolarHBondContact O-N 3.33Å; T665-S667 PolarHBondContact OG1-N 3.12Å; T665-S667 PolarHBondContact OG1-OG 3.28Å; T665-N668 WeakPolarHBondContact O-CA 3.5Å; T665-N668 PolarHBondContact O-N 3.13Å; T665-A669 WeakPolarHBondContact CG2-O 3.1Å; T665-A669 PolarHBondContact N-O 2.04Å; T665-A669 PolarHBondContact OG1-N 3.41Å; T665-A669 PolarHBondContact OG1-O 3.31Å; T665-L671 HydrophobicContact CG2-CB 3.92Å
666	T	83.3	Confident	87.1	Confident	157 Å²	157	52.6 Å²	52.6	96%	0.963	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	173.8	51.3	0	0	0	0	113.4	N668	T666-N668 PolarHBondContact O-N 3.49Å
667	S	83.6	Confident	86.6	Confident	55 Å²	55	55.6 Å²	55.6	39%	0.385	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	7.3	173.7	71	0	0	0	0	113.7	T665 A669	T665-S667 PolarHBondContact O-N 3.33Å; T665-S667 PolarHBondContact OG1-N 3.12Å; T665-S667 PolarHBondContact OG1-OG 3.28Å; S667-A669 PolarHBondContact O-N 3.41Å; S667-A669 VanDerWaalsContact O-N 3.13Å; S667-A669 WeakPolarHBondContact OG-CB 3.32Å; S667-A669 PolarHBondContact OG-N 2.99Å
668	N	87.8	Confident	86.3	Confident	100 Å²	100	59.2 Å²	59.2	54%	0.535	32%	0.319	S	S	.	.	S	Bend	trans	61.8	5.1	-169	-75.1	-28.2	0	0	0	115.6	R255 R664 T665 T666	R255-N668 WeakPolarHBondContact CD-O 3.27Å; R664-N668 PolarHBondContact NH1-O 3.03Å; T665-N668 WeakPolarHBondContact O-CA 3.5Å; T665-N668 PolarHBondContact O-N 3.13Å; T666-N668 PolarHBondContact O-N 3.49Å
669	A	91.8	Very high	86.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-71.4	142.4	173.5	0	0	0	0	0	111.8	E218 D219 R255 R664 T665 S667	E218-A669 HydrophobicContact CB-CB 4.2Å; E218-A669 HydrophobicContact CG-CB 4.41Å; D219-A669 VanDerWaalsContact OD1-C 3.31Å; D219-A669 WeakPolarHBondContact OD1-CA 3.35Å; D219-A669 VanDerWaalsContact OD1-CB 3.31Å; D219-A669 WeakPolarHBondContact OD1-CB 3.39Å; R255-A669 VanDerWaalsContact NH2-CB 3.27Å; R664-A669 CarbonylContact C-O 3.6Å; R664-A669 VanDerWaalsContact CA-O 3.31Å; R664-A669 WeakPolarHBondContact CA-O 3.07Å; T665-A669 WeakPolarHBondContact CG2-O 3.1Å; T665-A669 PolarHBondContact N-O 2.04Å; T665-A669 PolarHBondContact OG1-N 3.41Å; T665-A669 PolarHBondContact OG1-O 3.31Å; S667-A669 PolarHBondContact O-N 3.41Å; S667-A669 VanDerWaalsContact O-N 3.13Å; S667-A669 WeakPolarHBondContact OG-CB 3.32Å; S667-A669 PolarHBondContact OG-N 2.99Å
670	F	94	Very high	86.7	Confident	3 Å²	3	65.9 Å²	65.9	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.4	173.2	-73.1	-92.9	0	0	0	110.8	E218 D219 I250 K251 A253 C254 R255 P662 Q663 R664 Y672	E218-F670 WeakPolarHBondContact CA-O 3.37Å; D219-F670 HydrophobicContact CB-CB 4.49Å; D219-F670 PolarHBondContact N-O 3.21Å; D219-F670 PolarHBondContact OD1-N 3.35Å; I250-F670 WeakPolarHBondContact O-CE2 3.05Å; I250-F670 WeakPolarHBondContact O-CZ 3.48Å; K251-F670 WeakPolarHBondContact O-CZ 3.38Å; A253-F670 WeakPolarHBondContact O-CB 3.3Å; A253-F670 WeakPolarHBondContact O-CD1 3.07Å; A253-F670 WeakPolarHBondContact O-CD2 3.47Å; A253-F670 WeakPolarHBondContact O-CG 3.44Å; C254-F670 VanDerWaalsContact CA-CD2 3.48Å; R255-F670 HydrophobicContact CG-CD2 4.24Å; R255-F670 HydrophobicContact CG-CE2 4.22Å; P662-F670 HydrophobicContact CB-CB 4.35Å; P662-F670 HydrophobicContact CB-CD1 4.07Å; Q663-F670 WeakPolarHBondContact O-CA 3.5Å; R664-F670 HydrophobicContact CG-CD1 4.22Å; R664-F670 HydrophobicContact CG-CE1 4Å; R664-F670 HydrophobicContact CG-CE2 4.39Å; R664-F670 HydrophobicContact CG-CZ 4.11Å; R664-F670 VanDerWaalsContact CZ-CE2 3.42Å; R664-F670 VanDerWaalsContact NH2-CZ 3.28Å; F670-Y672 HydrophobicContact CB-CE2 4.1Å
671	L	93	Very high	87.4	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.11	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.9	177.7	-177.9	68.9	0	0	0	110.8	E216 Y217 E218 P662 Q663 T665	E216-L671 HydrophobicContact CB-CD1 4.27Å; Y217-L671 CarbonylContact O-C 3.47Å; Y217-L671 WeakPolarHBondContact O-CA 3.35Å; E218-L671 HydrophobicContact CG-CD1 3.94Å; P662-L671 WeakPolarHBondContact CA-O 3.36Å; Q663-L671 PolarHBondContact O-N 3.25Å; T665-L671 HydrophobicContact CG2-CB 3.92Å
672	Y	93.5	Very high	88.2	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.4	172.6	-63.2	-94.3	0	0	0	109.4	E216 Y217 A253 V487 V579 T658 P662 F670	E216-Y672 WeakPolarHBondContact CA-O 3.27Å; Y217-Y672 PolarHBondContact N-O 2.81Å; Y217-Y672 PolarHBondContact O-N 2.78Å; A253-Y672 PolarHBondContact O-OH 3.39Å; V487-Y672 HydrophobicContact CG1-CD2 4Å; V487-Y672 HydrophobicContact CG1-CE2 3.87Å; V579-Y672 HydrophobicContact CG1-CE1 4.18Å; T658-Y672 HydrophobicContact CG2-CD1 4.18Å; P662-Y672 HydrophobicContact CB-CD1 4.28Å; P662-Y672 HydrophobicContact CB-CE1 4.08Å; P662-Y672 HydrophobicContact CG-CD1 3.73Å; P662-Y672 HydrophobicContact CG-CE1 3.5Å; F670-Y672 HydrophobicContact CB-CE2 4.1Å
673	T	92.2	Very high	88.8	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.7	166.6	-54.7	0	0	0	0	108.1	R188 L214 T658 T659	R188-T673 HydrophobicContact CB-CG2 4.15Å; R188-T673 HydrophobicContact CG-CG2 4.49Å; L214-T673 HydrophobicContact CB-CG2 3.78Å; L214-T673 HydrophobicContact CD1-CG2 4.09Å; T658-T673 WeakPolarHBondContact CA-O 3.46Å; T659-T673 HydrophobicContact CG2-CG2 4.09Å; T659-T673 PolarHBondContact N-O 3.45Å; T659-T673 VanDerWaalsContact N-O 3.08Å; T659-T673 WeakPolarHBondContact OG1-CB 3.09Å
674	L	92.2	Very high	89.4	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.9	-167.5	-56.6	179.7	0	0	0	111.4	P215 Y217 L589 V656 E657 T658	P215-L674 PolarHBondContact O-N 3.4Å; Y217-L674 HydrophobicContact CD2-CD1 3.75Å; Y217-L674 HydrophobicContact CD2-CG 4.44Å; Y217-L674 HydrophobicContact CE2-CD1 4.01Å; L589-L674 HydrophobicContact CD1-CD1 3.83Å; L589-L674 HydrophobicContact CD2-CD1 3.89Å; L589-L674 HydrophobicContact CG-CD1 4.3Å; V656-L674 HydrophobicContact CB-CB 4.42Å; V656-L674 HydrophobicContact CB-CD2 4.5Å; V656-L674 HydrophobicContact CG2-CD1 4.43Å; V656-L674 HydrophobicContact CG2-CD2 4.04Å; E657-L674 WeakPolarHBondContact O-CA 3.21Å; T658-L674 HydrophobicContact CG2-CD2 4.11Å
675	K	91.5	Very high	89.6	Confident	68 Å²	68	46.5 Å²	46.5	30%	0.296	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.2	171.4	68	175.7	179.9	165.2	0	110.8	L214 V656 E657 T659	L214-K675 HydrophobicContact CD1-CB 4.47Å; L214-K675 HydrophobicContact CD2-CB 4.24Å; V656-K675 CarbonylContact C-O 3.46Å; V656-K675 WeakPolarHBondContact CA-O 3.4Å; E657-K675 HydrophobicContact CB-CG 3.86Å; E657-K675 PolarHBondContact N-O 2.87Å; E657-K675 PolarHBondContact O-N 3.3Å; E657-K675 WeakPolarHBondContact OE2-CE 3.24Å; E657-K675 IonicContact OE2-NZ 3.16Å; E657-K675 PolarHBondContact OE2-NZ 2.97Å; T659-K675 HydrophobicContact CG2-CB 4.21Å; T659-K675 HydrophobicContact CG2-CD 3.88Å; T659-K675 HydrophobicContact CG2-CG 4.06Å
676	N	90.8	Very high	89.7	Confident	16 Å²	16	48.6 Å²	48.6	9%	0.086	25%	0.249	C	C	.	.			trans	-144.9	132.6	175.1	174.7	-47.6	0	0	0	109.3	L571 S655 Q678 K679	L571-N676 HydrophobicContact CD1-CB 4.43Å; L571-N676 HydrophobicContact CD2-CB 3.57Å; L571-N676 HydrophobicContact CG-CB 4.23Å; S655-N676 PolarHBondContact O-ND2 3.4Å; N676-Q678 VanDerWaalsContact C-N 3.33Å; N676-Q678 PolarHBondContact O-N 3.4Å; N676-Q678 WeakPolarHBondContact OD1-CA 3.46Å; N676-Q678 WeakPolarHBondContact OD1-CB 3.37Å; N676-Q678 PolarHBondContact OD1-N 2.91Å; N676-K679 HydrophobicContact CB-CB 4.16Å; N676-K679 CarbonylContact O-C 3.21Å; N676-K679 PolarHBondContact OD1-N 2.97Å
677	S	82.9	Confident	89.7	Confident	71 Å²	71	41.3 Å²	41.3	50%	0.497	20%	0.204	S	C	.	.	S	Bend	trans	-67.8	-27.9	-175.9	54.2	0	0	0	0	114.3	R680	S677-R680 PolarHBondContact O-NE 3.06Å
678	Q	84.7	Confident	89.3	Confident	172 Å²	172	42.4 Å²	42.4	80%	0.804	20%	0.203	S	C	*	.	S	Bend	trans	-89.7	-39.9	176.5	-59.8	179.6	-9.1	0	0	112.1	N676	N676-Q678 VanDerWaalsContact C-N 3.33Å; N676-Q678 PolarHBondContact O-N 3.4Å; N676-Q678 WeakPolarHBondContact OD1-CA 3.46Å; N676-Q678 WeakPolarHBondContact OD1-CB 3.37Å; N676-Q678 PolarHBondContact OD1-N 2.91Å
679	K	86.1	Confident	88.4	Confident	86 Å²	86	38.2 Å²	38.2	37%	0.374	18%	0.181	S	C	.	.	S	Bend	trans	-103.6	74	-178	-69.8	-179.8	174.9	-172.4	0	110.2	G570 L571 V654 N676	G570-K679 WeakPolarHBondContact O-CD 3.27Å; L571-K679 HydrophobicContact CD2-CB 4.2Å; L571-K679 HydrophobicContact CG-CB 4.27Å; V654-K679 HydrophobicContact CG1-CD 4.4Å; N676-K679 HydrophobicContact CB-CB 4.16Å; N676-K679 CarbonylContact O-C 3.21Å; N676-K679 PolarHBondContact OD1-N 2.97Å
680	R	87.6	Confident	87.1	Confident	134 Å²	134	42.2 Å²	42.2	51%	0.506	20%	0.202	S	C	.	.			trans	-76.2	156.4	-172.3	-60.5	173.4	179.2	-156.7	11.1	112.5	E184 G570 S677 T682	E184-R680 VanDerWaalsContact CD-CD 3.45Å; E184-R680 HydrophobicContact CG-CB 4.31Å; E184-R680 WeakPolarHBondContact OE1-CD 3.41Å; E184-R680 VanDerWaalsContact OE1-CG 3.28Å; E184-R680 WeakPolarHBondContact OE1-CG 3.45Å; E184-R680 IonicContact OE1-NE 3.65Å; E184-R680 VanDerWaalsContact OE2-CD 3.3Å; E184-R680 WeakPolarHBondContact OE2-CD 3.35Å; E184-R680 IonicContact OE2-CZ 3.1Å; E184-R680 IonicContact OE2-NE 3.93Å; E184-R680 IonicContact OE2-NH1 2.74Å; E184-R680 PolarHBondContact OE2-NH1 2.88Å; G570-R680 PolarHBondContact N-O 2.88Å; G570-R680 VanDerWaalsContact N-O 3.12Å; S677-R680 PolarHBondContact O-NE 3.06Å; R680-T682 HydrophobicContact CB-CG2 4.37Å
681	S	92.4	Very high	85.8	Confident	3 Å²	3	47 Å²	47	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.1	167.7	-57.3	0	0	0	0	108.6	V185 K568 T569	V185-S681 PolarHBondContact N-O 3.05Å; K568-S681 CarbonylContact O-C 3.55Å; K568-S681 WeakPolarHBondContact O-CA 3.36Å; T569-S681 VanDerWaalsContact CB-OG 3.31Å; T569-S681 WeakPolarHBondContact CB-OG 3.35Å; T569-S681 PolarHBondContact OG1-OG 2.86Å
682	T	93.3	Very high	84.6	Confident	20 Å²	20	46.2 Å²	46.2	12%	0.123	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149	-172.9	61.1	0	0	0	0	111.9	K182 K183 H567 K568 R680	K182-T682 WeakPolarHBondContact CE-OG1 3.39Å; K183-T682 CarbonylContact O-C 3.54Å; K183-T682 VanDerWaalsContact O-CA 3.3Å; K183-T682 WeakPolarHBondContact O-CA 3.23Å; H567-T682 WeakPolarHBondContact CA-O 3.19Å; K568-T682 PolarHBondContact N-O 2.64Å; K568-T682 PolarHBondContact O-N 3.18Å; R680-T682 HydrophobicContact CB-CG2 4.37Å
683	I	93.4	Very high	83.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.4	165.5	-60.6	-173.6	0	0	0	107.5	K183 V185 L192 F194 V208 I211 L213 L565 E566 H567	K183-I683 PolarHBondContact N-O 3.5Å; K183-I683 PolarHBondContact O-N 3.38Å; V185-I683 HydrophobicContact CG2-CD1 4.43Å; V185-I683 HydrophobicContact CG2-CG1 4.19Å; L192-I683 HydrophobicContact CD1-CB 4.32Å; L192-I683 HydrophobicContact CD1-CD1 4.3Å; L192-I683 HydrophobicContact CD1-CG1 4.48Å; F194-I683 HydrophobicContact CE2-CG2 4.34Å; F194-I683 HydrophobicContact CZ-CB 4.38Å; F194-I683 HydrophobicContact CZ-CG2 4.06Å; V208-I683 HydrophobicContact CB-CD1 4.41Å; V208-I683 HydrophobicContact CG1-CD1 3.73Å; I211-I683 HydrophobicContact CD1-CD1 3.72Å; I211-I683 HydrophobicContact CG1-CD1 4.11Å; I211-I683 HydrophobicContact CG2-CD1 4.11Å; L213-I683 HydrophobicContact CD1-CD1 3.81Å; L213-I683 HydrophobicContact CD1-CG1 3.63Å; L565-I683 HydrophobicContact CD1-CG2 4.21Å; L565-I683 HydrophobicContact CD2-CG2 3.9Å; L565-I683 HydrophobicContact CG-CG2 3.86Å; E566-I683 WeakPolarHBondContact O-CA 2.98Å; H567-I683 HydrophobicContact CB-CG1 4.14Å
684	E	93.2	Very high	82.5	Confident	32 Å²	32	46.1 Å²	46.1	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.5	178.8	-171.4	170.2	170.8	0	0	109.3	S180 Y181 K182 L565 E566 K686	S180-E684 PolarHBondContact OG-OE1 3.1Å; Y181-E684 CarbonylContact O-C 3.59Å; Y181-E684 VanDerWaalsContact O-CA 3.32Å; Y181-E684 WeakPolarHBondContact O-CA 3.36Å; K182-E684 HydrophobicContact CB-CB 4.34Å; K182-E684 HydrophobicContact CB-CG 4.07Å; K182-E684 HydrophobicContact CG-CB 4.2Å; K182-E684 HydrophobicContact CG-CG 4.37Å; K182-E684 IonicContact NZ-OE2 3.04Å; L565-E684 WeakPolarHBondContact CA-O 3.49Å; E566-E684 PolarHBondContact N-O 3.44Å; E566-E684 PolarHBondContact O-N 3.43Å; E684-K686 HydrophobicContact CG-CG 4.34Å; E684-K686 WeakPolarHBondContact OE1-CE 3.39Å; E684-K686 IonicContact OE1-NZ 3.6Å
685	I	89.9	Confident	81.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	174.8	-59	-167.5	0	0	0	107.6	S180 Y181 F194 L196 I206 I563 Y564 L565	S180-I685 CarbonylContact C-O 3.56Å; S180-I685 VanDerWaalsContact CA-O 3.24Å; S180-I685 WeakPolarHBondContact CA-O 3.03Å; Y181-I685 PolarHBondContact N-O 2.7Å; Y181-I685 PolarHBondContact O-N 3.14Å; F194-I685 HydrophobicContact CB-CD1 3.63Å; F194-I685 HydrophobicContact CD1-CB 4.46Å; F194-I685 HydrophobicContact CD1-CD1 3.79Å; F194-I685 HydrophobicContact CD1-CG1 4.02Å; F194-I685 HydrophobicContact CD2-CD1 3.4Å; F194-I685 HydrophobicContact CD2-CG1 4.26Å; F194-I685 HydrophobicContact CE1-CD1 4.22Å; F194-I685 HydrophobicContact CE1-CG1 4.1Å; F194-I685 HydrophobicContact CE2-CD1 3.89Å; F194-I685 HydrophobicContact CE2-CG1 4.36Å; F194-I685 HydrophobicContact CG-CD1 3.34Å; F194-I685 HydrophobicContact CG-CG1 4.09Å; F194-I685 HydrophobicContact CZ-CD1 4.26Å; F194-I685 HydrophobicContact CZ-CG1 4.27Å; L196-I685 HydrophobicContact CD1-CG2 4.06Å; L196-I685 HydrophobicContact CD2-CG2 4.23Å; I206-I685 HydrophobicContact CB-CD1 3.95Å; I206-I685 HydrophobicContact CD1-CD1 3.76Å; I206-I685 HydrophobicContact CD1-CG2 4.02Å; I206-I685 HydrophobicContact CG1-CD1 4.45Å; I206-I685 HydrophobicContact CG2-CD1 3.78Å; I563-I685 HydrophobicContact CG2-CG2 3.74Å; Y564-I685 CarbonylContact O-C 3.56Å; Y564-I685 WeakPolarHBondContact O-CA 3.35Å; L565-I685 HydrophobicContact CD1-CD1 4.36Å; L565-I685 HydrophobicContact CD1-CG1 4.48Å; L565-I685 HydrophobicContact CG-CG1 4.35Å
686	K	86	Confident	80.1	Confident	76 Å²	76	45 Å²	45	33%	0.33	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.6	174.4	-65.6	170	-174.1	155.8	0	108.8	M179 I563 Y564 E566 E684	M179-K686 CarbonylContact O-C 3.59Å; M179-K686 WeakPolarHBondContact O-CA 3.35Å; I563-K686 WeakPolarHBondContact CA-O 3.36Å; Y564-K686 HydrophobicContact CD2-CB 4.44Å; Y564-K686 PolarHBondContact N-O 3.05Å; Y564-K686 PolarHBondContact O-N 2.84Å; E566-K686 IonicContact OE2-NZ 2.81Å; E566-K686 PolarHBondContact OE2-NZ 3.36Å; E684-K686 HydrophobicContact CG-CG 4.34Å; E684-K686 WeakPolarHBondContact OE1-CE 3.39Å; E684-K686 IonicContact OE1-NZ 3.6Å
687	S	83.1	Confident	78.9	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.7	170.1	53.4	0	0	0	0	110	M179 Y198 N562	M179-S687 WeakPolarHBondContact CB-OG 3.27Å; M179-S687 PolarHBondContact N-OG 3.13Å; M179-S687 PolarHBondContact O-N 3.4Å; M179-S687 PolarHBondContact O-OG 3.18Å; Y198-S687 WeakPolarHBondContact OH-CB 3.47Å; N562-S687 CarbonylContact O-C 3.59Å; N562-S687 WeakPolarHBondContact O-CA 3.45Å
688	H	75.4	Confident	78.1	Confident	78 Å²	78	41.7 Å²	41.7	36%	0.361	19%	0.194	S	C	.	.			trans	-133.9	90.7	169.3	-168.3	-79.5	0	0	0	107.9	N562 Y564 N690	N562-H688 WeakPolarHBondContact CA-O 3Å; N562-H688 CarbonylContact O-C 3Å; N562-H688 PolarHBondContact O-N 2.88Å; Y564-H688 HydrophobicContact CE2-CB 3.53Å; H688-N690 PolarHBondContact CE1-OD1 3.18Å; H688-N690 PolarHBondContact ND1-OD1 2.98Å; H688-N690 PolarHBondContact O-N 3.18Å; H688-N690 VanDerWaalsContact O-N 3.08Å
689	I	68.6	Low	77	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.062	16%	0.162	C	C	.	.			trans	-77.9	103.8	-174	-62.4	-179.3	0	0	0	109	L175 Y198 H691 L693	L175-I689 HydrophobicContact CB-CB 4.3Å; L175-I689 HydrophobicContact CB-CD1 3.73Å; L175-I689 HydrophobicContact CB-CG2 4.12Å; L175-I689 HydrophobicContact CD1-CD1 4.24Å; L175-I689 HydrophobicContact CD1-CG2 4.24Å; L175-I689 HydrophobicContact CD2-CD1 3.75Å; L175-I689 HydrophobicContact CG-CD1 4.14Å; Y198-I689 HydrophobicContact CD1-CD1 3.77Å; Y198-I689 HydrophobicContact CE1-CD1 3.21Å; Y198-I689 HydrophobicContact CE1-CG1 4.3Å; Y198-I689 HydrophobicContact CE2-CD1 4.37Å; I689-H691 VanDerWaalsContact CG2-O 3.23Å; I689-H691 WeakPolarHBondContact CG2-O 3.45Å; I689-L693 HydrophobicContact CD1-CD1 3.82Å; I689-L693 HydrophobicContact CD1-CG 4.19Å
690	N	66.2	Low	75.8	Confident	84 Å²	84	33.6 Å²	33.6	45%	0.449	16%	0.161	S	C	.	.	S	Bend	trans	-91.6	-27.6	171.7	-71.6	-27.7	0	0	0	111.5	N562 H688	N562-N690 PolarHBondContact OD1-N 2.7Å; H688-N690 PolarHBondContact CE1-OD1 3.18Å; H688-N690 PolarHBondContact ND1-OD1 2.98Å; H688-N690 PolarHBondContact O-N 3.18Å; H688-N690 VanDerWaalsContact O-N 3.08Å
691	H	65.9	Low	74.7	Confident	102 Å²	102	30.4 Å²	30.4	47%	0.472	15%	0.154	S	C	.	.	S	Bend	trans	-138.7	157.4	-175.5	-58.3	-60.7	0	0	0	110.6	N562 I689 L693	N562-H691 PolarHBondContact ND2-O 2.71Å; N562-H691 PolarHBondContact OD1-N 3.05Å; N562-H691 PolarHBondContact OD1-O 2.04Å; I689-H691 VanDerWaalsContact CG2-O 3.23Å; I689-H691 WeakPolarHBondContact CG2-O 3.45Å; H691-L693 PolarHBondContact O-N 3.33Å
692	S	68.1	Low	73.3	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.042	18%	0.179	C	C	.	.			trans	-50.6	125.1	173.4	159.8	0	0	0	0	111.4	E170 L694 Y695 T696	E170-S692 WeakPolarHBondContact OE2-CA 3.31Å; E170-S692 WeakPolarHBondContact OE2-CB 3.35Å; E170-S692 PolarHBondContact OE2-OG 3.47Å; S692-L694 VanDerWaalsContact C-N 3.25Å; S692-L694 PolarHBondContact OG-N 3.37Å; S692-Y695 PolarHBondContact O-N 3.18Å; S692-Y695 WeakPolarHBondContact OG-CB 3.34Å; S692-Y695 PolarHBondContact OG-N 2.85Å; S692-T696 PolarHBondContact O-N 3.37Å; S692-T696 PolarHBondContact O-OG1 3.46Å
693	L	72.7	Confident	71.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-36.4	173.6	-74	174.7	0	0	0	110.2	E170 Y198 I202 V204 L502 W559 N562 I563 I689 H691 T696 A697	E170-L693 WeakPolarHBondContact OE1-CB 3.47Å; E170-L693 PolarHBondContact OE1-N 2.93Å; E170-L693 PolarHBondContact OE2-N 3.36Å; E170-L693 VanDerWaalsContact OE2-N 3.13Å; Y198-L693 HydrophobicContact CD2-CD1 4Å; Y198-L693 HydrophobicContact CE2-CD1 3.55Å; I202-L693 HydrophobicContact CD1-CB 4.39Å; I202-L693 HydrophobicContact CG2-CD1 4.1Å; V204-L693 HydrophobicContact CG2-CD1 3.92Å; L502-L693 HydrophobicContact CD1-CB 4.15Å; W559-L693 HydrophobicContact CB-CD2 4.27Å; N562-L693 HydrophobicContact CB-CD2 3.78Å; I563-L693 HydrophobicContact CD1-CD2 4.43Å; I689-L693 HydrophobicContact CD1-CD1 3.82Å; I689-L693 HydrophobicContact CD1-CG 4.19Å; H691-L693 PolarHBondContact O-N 3.33Å; L693-T696 WeakPolarHBondContact O-CB 3.46Å; L693-T696 PolarHBondContact O-N 3.44Å; L693-A697 WeakPolarHBondContact O-CB 3.22Å; L693-A697 PolarHBondContact O-N 3.03Å
694	L	68.7	Low	70.4	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-69.3	-40.2	179.3	-168.5	57.1	0	0	0	112	F168 E170 I202 L504 S692 T696 A697 A698 F705 V756	F168-L694 HydrophobicContact CD1-CD2 4.04Å; E170-L694 WeakPolarHBondContact OE2-CB 2.98Å; E170-L694 PolarHBondContact OE2-N 2.83Å; I202-L694 HydrophobicContact CD1-CB 4.39Å; L504-L694 HydrophobicContact CD1-CD1 3.79Å; L504-L694 HydrophobicContact CD2-CD1 4.25Å; S692-L694 VanDerWaalsContact C-N 3.25Å; S692-L694 PolarHBondContact OG-N 3.37Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 2.88Å; L694-A697 PolarHBondContact O-N 3.45Å; L694-A698 WeakPolarHBondContact O-CB 3.35Å; L694-A698 PolarHBondContact O-N 3.41Å; L694-F705 HydrophobicContact CD1-CE2 3.84Å; L694-F705 HydrophobicContact CD1-CZ 3.74Å; L694-V756 HydrophobicContact CD2-CB 3.42Å; L694-V756 VanDerWaalsContact CD2-CB 3.42Å; L694-V756 HydrophobicContact CD2-CG1 3.67Å; L694-V756 HydrophobicContact CD2-CG2 3.53Å; L694-V756 HydrophobicContact CG-CB 4.22Å; L694-V756 HydrophobicContact CG-CG1 4.24Å; L694-V756 HydrophobicContact CG-CG2 3.88Å
695	Y	66.2	Low	69	Low	46 Å²	46	35.2 Å²	35.2	18%	0.18	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-45.6	170.5	173.9	-98.7	0	0	0	111.1	S692 A697 C699 L700 W754	S692-Y695 PolarHBondContact O-N 3.18Å; S692-Y695 WeakPolarHBondContact OG-CB 3.34Å; S692-Y695 PolarHBondContact OG-N 2.85Å; Y695-A697 VanDerWaalsContact C-N 3.33Å; Y695-A697 PolarHBondContact O-N 3Å; Y695-C699 HydrophobicContact CD2-CB 3.76Å; Y695-C699 VanDerWaalsContact CD2-SG 3.58Å; Y695-C699 HydrophobicContact CE2-CB 3.62Å; Y695-C699 HydrophobicContact CG-CB 4.36Å; Y695-C699 WeakPolarHBondContact O-CA 3.16Å; Y695-C699 WeakPolarHBondContact O-CB 3.42Å; Y695-C699 PolarHBondContact O-N 2.7Å; Y695-L700 HydrophobicContact CD1-CD1 4.35Å; Y695-L700 HydrophobicContact CD1-CG 4.29Å; Y695-L700 HydrophobicContact CE1-CD1 4.01Å; Y695-L700 HydrophobicContact CE1-CD2 3.99Å; Y695-L700 HydrophobicContact CE1-CG 3.82Å; Y695-L700 PolarHBondContact O-N 3.1Å; Y695-W754 HydrophobicContact CD2-CE3 4.36Å; Y695-W754 HydrophobicContact CD2-CH2 4.4Å; Y695-W754 HydrophobicContact CD2-CZ3 4.11Å; Y695-W754 HydrophobicContact CE2-CH2 4.19Å; Y695-W754 HydrophobicContact CE2-CZ3 4.17Å
696	T	65.7	Low	67.6	Low	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-60.9	-44.3	177.6	-58.3	0	0	0	0	111.6	W559 N560 N562 S692 L693 L694 L700 N701	W559-T696 VanDerWaalsContact C-CG2 3.49Å; W559-T696 HydrophobicContact CB-CG2 4.28Å; W559-T696 HydrophobicContact CE3-CG2 4.34Å; N560-T696 HydrophobicContact CB-CG2 3.54Å; N562-T696 PolarHBondContact ND2-OG1 3.41Å; S692-T696 PolarHBondContact O-N 3.37Å; S692-T696 PolarHBondContact O-OG1 3.46Å; L693-T696 WeakPolarHBondContact O-CB 3.46Å; L693-T696 PolarHBondContact O-N 3.44Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 2.88Å; T696-L700 HydrophobicContact CG2-CB 4.5Å; T696-L700 HydrophobicContact CG2-CD1 4.21Å; T696-L700 WeakPolarHBondContact O-CB 3.15Å; T696-L700 PolarHBondContact O-N 3.3Å; T696-N701 PolarHBondContact O-N 2.93Å
697	A	67.6	Low	66.4	Low	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-65.8	-54.5	179.2	0	0	0	0	0	112.4	L502 W559 L693 L694 Y695 N701 G702 L703 F705	L502-A697 HydrophobicContact CD1-CB 4.45Å; W559-A697 HydrophobicContact CE3-CB 4.36Å; W559-A697 HydrophobicContact CZ3-CB 3.68Å; L693-A697 WeakPolarHBondContact O-CB 3.22Å; L693-A697 PolarHBondContact O-N 3.03Å; L694-A697 PolarHBondContact O-N 3.45Å; Y695-A697 VanDerWaalsContact C-N 3.33Å; Y695-A697 PolarHBondContact O-N 3Å; A697-N701 WeakPolarHBondContact O-CB 3.27Å; A697-G702 PolarHBondContact O-N 2.86Å; A697-L703 HydrophobicContact CB-CD1 4.16Å; A697-L703 VanDerWaalsContact O-CB 3.31Å; A697-L703 WeakPolarHBondContact O-CB 3.35Å; A697-L703 VanDerWaalsContact O-CG 3.31Å; A697-L703 WeakPolarHBondContact O-CG 3.31Å; A697-L703 PolarHBondContact O-N 3.08Å; A697-F705 HydrophobicContact CB-CE2 4.3Å; A697-F705 HydrophobicContact CB-CZ 3.95Å
698	A	64.6	Low	65.2	Low	18 Å²	18	41.8 Å²	41.8	15%	0.149	24%	0.239	C	C	.	.	I	π-helix	trans	-78.8	-44.1	-172.7	0	0	0	0	0	112.7	L694 G702 I737	L694-A698 WeakPolarHBondContact O-CB 3.35Å; L694-A698 PolarHBondContact O-N 3.41Å; A698-G702 VanDerWaalsContact O-CA 3.24Å; A698-G702 WeakPolarHBondContact O-CA 3.46Å; A698-G702 PolarHBondContact O-N 3.49Å; A698-I737 HydrophobicContact CB-CD1 3.92Å; A698-I737 HydrophobicContact CB-CG2 4.12Å
699	C	61.8	Low	64.1	Low	20 Å²	20	46 Å²	46	14%	0.135	26%	0.256	C	S	.	.	I	π-helix	trans	-91.2	-50.2	-172.7	-58.9	0	0	0	0	112.5	C130 Y695	C130-C699 PolarHBondContact SG-O 2.81Å; C130-C699 VanDerWaalsContact SG-O 3.35Å; Y695-C699 HydrophobicContact CD2-CB 3.76Å; Y695-C699 VanDerWaalsContact CD2-SG 3.58Å; Y695-C699 HydrophobicContact CE2-CB 3.62Å; Y695-C699 HydrophobicContact CG-CB 4.36Å; Y695-C699 WeakPolarHBondContact O-CA 3.16Å; Y695-C699 WeakPolarHBondContact O-CB 3.42Å; Y695-C699 PolarHBondContact O-N 2.7Å
700	L	61.3	Low	63	Low	67 Å²	67	48.9 Å²	48.9	35%	0.351	28%	0.276	S	S	.	.	I	π-helix	trans	-77.4	-41.7	-175.6	-59.8	-179.8	0	0	0	112.1	N560 Y695 T696	N560-L700 HydrophobicContact CB-CD1 3.8Å; Y695-L700 HydrophobicContact CD1-CD1 4.35Å; Y695-L700 HydrophobicContact CD1-CG 4.29Å; Y695-L700 HydrophobicContact CE1-CD1 4.01Å; Y695-L700 HydrophobicContact CE1-CD2 3.99Å; Y695-L700 HydrophobicContact CE1-CG 3.82Å; Y695-L700 PolarHBondContact O-N 3.1Å; T696-L700 HydrophobicContact CG2-CB 4.5Å; T696-L700 HydrophobicContact CG2-CD1 4.21Å; T696-L700 WeakPolarHBondContact O-CB 3.15Å; T696-L700 PolarHBondContact O-N 3.3Å
701	N	63.9	Low	61.6	Low	68 Å²	68	53.4 Å²	53.4	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-94.9	-10.4	-179.4	-68.2	-14	0	0	0	113.6	T696 A697 L703	T696-N701 PolarHBondContact O-N 2.93Å; A697-N701 WeakPolarHBondContact O-CB 3.27Å; N701-L703 VanDerWaalsContact C-N 3.31Å; N701-L703 HydrophobicContact CB-CD1 4.25Å; N701-L703 HydrophobicContact CB-CD2 4.27Å; N701-L703 HydrophobicContact CB-CG 3.83Å; N701-L703 PolarHBondContact O-N 3.49Å
702	G	63.4	Low	60	Low	54 Å²	54	51.2 Å²	51.2	56%	0.557	31%	0.306	S	S	*	.			trans	66.1	28.5	179.1	0	0	0	0	0	114.2	A697 A698	A697-G702 PolarHBondContact O-N 2.86Å; A698-G702 VanDerWaalsContact O-CA 3.24Å; A698-G702 WeakPolarHBondContact O-CA 3.46Å; A698-G702 PolarHBondContact O-N 3.49Å
703	L	64.8	Low	58.2	Low	15 Å²	15	59 Å²	59	8%	0.079	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-78.8	131.8	-175.1	-56.4	-178.7	0	0	0	111.9	L519 W559 A697 N701	L519-L703 HydrophobicContact CD1-CD1 4.1Å; L519-L703 HydrophobicContact CD1-CD2 4.49Å; L519-L703 HydrophobicContact CD2-CD2 3.93Å; L519-L703 HydrophobicContact CG-CD1 4.49Å; L519-L703 HydrophobicContact CG-CD2 4.41Å; W559-L703 HydrophobicContact CH2-CD1 3.59Å; W559-L703 HydrophobicContact CZ3-CD1 3.63Å; A697-L703 HydrophobicContact CB-CD1 4.16Å; A697-L703 VanDerWaalsContact O-CB 3.31Å; A697-L703 WeakPolarHBondContact O-CB 3.35Å; A697-L703 VanDerWaalsContact O-CG 3.31Å; A697-L703 WeakPolarHBondContact O-CG 3.31Å; A697-L703 PolarHBondContact O-N 3.08Å; N701-L703 VanDerWaalsContact C-N 3.31Å; N701-L703 HydrophobicContact CB-CD1 4.25Å; N701-L703 HydrophobicContact CB-CD2 4.27Å; N701-L703 HydrophobicContact CB-CG 3.83Å; N701-L703 PolarHBondContact O-N 3.49Å
704	T	61.6	Low	56	Low	84 Å²	84	64.4 Å²	64.4	52%	0.515	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-91.5	133.9	172.3	55.3	0	0	0	0	110.8	P517	P517-T704 WeakPolarHBondContact CD-O 3.39Å
705	F	63.5	Low	54.2	Low	3 Å²	3	70.3 Å²	70.3	1%	0.013	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-93.8	138.3	179.2	-72.8	-95.3	0	0	0	111.8	L502 L504 W514 L694 A697 P735 I737	L502-F705 HydrophobicContact CB-CE1 4.36Å; L502-F705 HydrophobicContact CD2-CE1 3.6Å; L502-F705 HydrophobicContact CD2-CZ 3.97Å; L504-F705 HydrophobicContact CD1-CD1 3.92Å; L504-F705 HydrophobicContact CD1-CE1 3.88Å; L504-F705 HydrophobicContact CD1-CG 4.43Å; L504-F705 HydrophobicContact CD1-CZ 4.34Å; L504-F705 HydrophobicContact CG-CE1 4.27Å; W514-F705 HydrophobicContact CB-CB 4.41Å; W514-F705 HydrophobicContact CB-CD1 4.46Å; W514-F705 HydrophobicContact CE3-CB 4.17Å; L694-F705 HydrophobicContact CD1-CE2 3.84Å; L694-F705 HydrophobicContact CD1-CZ 3.74Å; A697-F705 HydrophobicContact CB-CE2 4.3Å; A697-F705 HydrophobicContact CB-CZ 3.95Å; F705-P735 WeakPolarHBondContact O-CG 3.42Å; F705-I737 HydrophobicContact CD2-CD1 3.97Å
706	T	60.2	Low	52.4	Low	90 Å²	90	77.8 Å²	77.8	55%	0.552	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.8	176.4	56.1	0	0	0	0	110.7	W514 S515	W514-T706 WeakPolarHBondContact CA-O 3.27Å; S515-T706 PolarHBondContact N-O 2.95Å; S515-T706 PolarHBondContact O-N 3.1Å; S515-T706 PolarHBondContact O-OG1 2.84Å
707	Q	62	Low	50.8	Low	71 Å²	71	85 Å²	85	33%	0.332	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.1	177.2	-168.8	-173.3	65.6	0	0	111	L512 W514	L512-Q707 HydrophobicContact CD2-CG 4.07Å; W514-Q707 HydrophobicContact CD2-CB 4.06Å; W514-Q707 HydrophobicContact CD2-CG 4.43Å; W514-Q707 HydrophobicContact CE3-CB 3.92Å; W514-Q707 HydrophobicContact CH2-CB 3.87Å; W514-Q707 HydrophobicContact CH2-CG 4.43Å; W514-Q707 HydrophobicContact CZ2-CB 4Å; W514-Q707 HydrophobicContact CZ2-CG 4.09Å; W514-Q707 HydrophobicContact CZ3-CB 3.82Å
708	S	57.3	Low	48.9	Very low	56 Å²	56	91.6 Å²	91.6	39%	0.392	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.7	169.3	62.4	0	0	0	0	109.8	V513	V513-S708 PolarHBondContact O-N 3.32Å; V513-S708 PolarHBondContact O-OG 2.89Å
709	K	51.8	Low	47.1	Very low	166 Å²	166	97.3 Å²	97.3	72%	0.722	55%	0.547	S	S	*	.			trans	-85.3	125.4	170.1	-74.1	-177.7	179.1	177.3	0	108.2	N711	K709-N711 PolarHBondContact O-N 3.47Å
710	P	46.4	Very low	45.5	Very low	74 Å²	74	102 Å²	102	48%	0.481	58%	0.578	S	S	.	*			trans	-64	120.6	173.5	22.9	-29	0	0	0	109.4	K511 G712	K511-P710 WeakPolarHBondContact O-CD 3.4Å; P710-G712 PolarHBondContact O-N 3.4Å
711	N	37.1	Very low	43.9	Very low	178 Å²	178	103.7 Å²	103.7	95%	0.952	60%	0.595	S	S	*	*	S	Bend	trans	-62.4	95.3	174.7	-81.2	-15.9	0	0	0	109.3	K709	K709-N711 PolarHBondContact O-N 3.47Å
712	G	31.4	Very low	42.1	Very low	57 Å²	57	108 Å²	108	59%	0.588	62%	0.618	S	S	*	*			trans	170.8	44.8	-178.5	0	0	0	0	0	115	P710	P710-G712 PolarHBondContact O-N 3.4Å
713	F	29.5	Very low	40.4	Very low	168 Å²	168	114.1 Å²	114.1	74%	0.737	63%	0.632	S	S	*	*			trans	-139.1	68.6	160.6	-87	-79.8	0	0	0	108.3	D715	F713-D715 VanDerWaalsContact C-N 3.27Å
714	S	27.8	Very low	38.6	Very low	114 Å²	114	122.7 Å²	122.7	80%	0.797	67%	0.669	S	S	*	*			trans	-100	47.5	159	68.6	0	0	0	0	108.8	K716	S714-K716 PolarHBondContact O-N 2.99Å
715	D	30.1	Very low	36.8	Very low	128 Å²	128	129.3 Å²	129.3	68%	0.684	69%	0.686	S	S	*	*			trans	-78.8	112.4	168.1	-83.6	-24.6	0	0	0	107.6	F713 I717	F713-D715 VanDerWaalsContact C-N 3.27Å; D715-I717 VanDerWaalsContact C-N 3.27Å; D715-I717 PolarHBondContact O-N 2.69Å
716	K	29.3	Very low	34.9	Very low	202 Å²	202	138 Å²	138	88%	0.878	72%	0.724	S	S	*	*			trans	-48.1	90.6	167.8	-68.3	171.8	174.7	175.9	0	109.2	S714	S714-K716 PolarHBondContact O-N 2.99Å
717	I	30.8	Very low	33.1	Very low	153 Å²	153	140.2 Å²	140.2	79%	0.785	74%	0.738	S	S	*	*			trans	-104.3	105.3	162.5	-61.6	179.6	0	0	0	105.9	D715 T719	D715-I717 VanDerWaalsContact C-N 3.27Å; D715-I717 PolarHBondContact O-N 2.69Å; I717-T719 PolarHBondContact O-N 3.48Å
718	N	28.9	Very low	31.2	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	76%	0.758	S	S	*	*			trans	-21.3	121.7	169.4	-64.5	-35.8	0	0	0	113.5	P720	N718-P720 VanDerWaalsContact O-CD 3.28Å; N718-P720 WeakPolarHBondContact O-CD 3.49Å
719	T	25.4	Very low	29.6	Very low	138 Å²	138	151.2 Å²	151.2	85%	0.847	78%	0.783	S	S	*	*			trans	-7.8	116	150.1	47.2	0	0	0	0	114.9	I717	I717-T719 PolarHBondContact O-N 3.48Å
720	P	29.1	Very low	28.3	Very low	119 Å²	119	149 Å²	149	77%	0.773	78%	0.783	S	S	*	*			trans	-106.1	132.7	131.5	6.5	14.1	0	0	0	108.3	N718	N718-P720 VanDerWaalsContact O-CD 3.28Å; N718-P720 WeakPolarHBondContact O-CD 3.49Å
721	S	27	Very low	27.2	Very low	103 Å²	103	148 Å²	148	72%	0.72	79%	0.786	S	S	*	*			trans	-39.1	134.6	174.8	47.5	0	0	0	0	115.6
722	D	27.7	Very low	26.6	Very low	158 Å²	158	149.8 Å²	149.8	85%	0.845	78%	0.78	S	S	*	*			trans	49.8	79	137	-58.8	-26.3	0	0	0	119.1
723	E	25.9	Very low	26.4	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	77%	0.773	S	S	*	*			trans	-130	130.6	142.9	-77.9	-167.4	158.9	0	0	111.2	Y725	E723-Y725 PolarHBondContact O-N 3.03Å
724	K	27.2	Very low	26.4	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	77%	0.767	S	S	*	*			trans	-53.7	116.1	-176.2	-75.2	166.2	172.1	171.5	0	111	F726	K724-F726 PolarHBondContact O-N 2.75Å
725	Y	24.9	Very low	26.7	Very low	223 Å²	223	146.5 Å²	146.5	88%	0.875	74%	0.738	S	S	*	*			trans	-60.3	99.7	168.1	-71.1	-92.6	0	0	0	110.2	E723 T727	E723-Y725 PolarHBondContact O-N 3.03Å; Y725-T727 PolarHBondContact O-N 3.17Å
726	F	22.6	Very low	26.8	Very low	187 Å²	187	146.2 Å²	146.2	82%	0.82	73%	0.733	S	S	*	*			trans	-72.2	103.7	157.2	-95.9	-92.5	0	0	0	107.7	K724 E728	K724-F726 PolarHBondContact O-N 2.75Å; F726-E728 PolarHBondContact O-N 2.06Å
727	T	22.3	Very low	27.1	Very low	136 Å²	136	138.8 Å²	138.8	83%	0.834	70%	0.702	S	S	*	*			trans	-75	76.8	164.5	23.7	0	0	0	0	108.8	Y725 Q729	Y725-T727 PolarHBondContact O-N 3.17Å; T727-Q729 PolarHBondContact O-N 3.09Å
728	E	23.1	Very low	27.3	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	69%	0.691	S	S	*	*			trans	-69.7	119.9	163.1	-104.1	179.1	168.2	0	0	108.6	F726 V730	F726-E728 PolarHBondContact O-N 2.06Å; E728-V730 VanDerWaalsContact C-N 3.33Å; E728-V730 PolarHBondContact O-N 3.03Å
729	Q	23.1	Very low	27.4	Very low	194 Å²	194	131.4 Å²	131.4	91%	0.907	66%	0.661	S	S	*	*			trans	-57.2	99	166.5	-81.1	-179.4	-21	0	0	108	T727 G731	T727-Q729 PolarHBondContact O-N 3.09Å; Q729-G731 VanDerWaalsContact C-N 3.29Å; Q729-G731 PolarHBondContact O-N 3.34Å
730	V	24.9	Very low	28	Very low	119 Å²	119	127.3 Å²	127.3	72%	0.721	64%	0.638	S	S	*	*			trans	-61.5	95.5	170.6	-177.9	0	0	0	0	107.2	E728 L733	E728-V730 VanDerWaalsContact C-N 3.33Å; E728-V730 PolarHBondContact O-N 3.03Å; V730-L733 HydrophobicContact CG1-CD1 3.53Å; V730-L733 HydrophobicContact CG1-CG 4.25Å
731	G	22.8	Very low	28.1	Very low	54 Å²	54	125.5 Å²	125.5	56%	0.557	63%	0.625	S	S	*	*			trans	-53.2	148.5	170.4	0	0	0	0	0	109.6	Q729 L733	Q729-G731 VanDerWaalsContact C-N 3.29Å; Q729-G731 PolarHBondContact O-N 3.34Å; G731-L733 PolarHBondContact O-N 3.28Å
732	R	24.7	Very low	28.6	Very low	214 Å²	214	126 Å²	126	81%	0.808	62%	0.616	S	S	*	*			trans	-45.7	96	179.8	-71.5	174.2	173.1	176.8	-2.5	111.3	Y734	R732-Y734 HydrophobicContact CB-CD2 4.34Å; R732-Y734 HydrophobicContact CB-CE2 3.73Å; R732-Y734 VanDerWaalsContact O-CD2 3.27Å; R732-Y734 WeakPolarHBondContact O-CD2 3.4Å; R732-Y734 PolarHBondContact O-N 3.28Å
733	L	27.2	Very low	28.7	Very low	87 Å²	87	127.4 Å²	127.4	46%	0.455	61%	0.609	S	S	.	*			trans	-78.5	108.3	174.9	-76.4	162.3	0	0	0	107.9	V730 G731 T761	V730-L733 HydrophobicContact CG1-CD1 3.53Å; V730-L733 HydrophobicContact CG1-CG 4.25Å; G731-L733 PolarHBondContact O-N 3.28Å; L733-T761 WeakPolarHBondContact CD2-O 3.46Å
734	Y	29.1	Very low	29.1	Very low	155 Å²	155	122.5 Å²	122.5	61%	0.608	59%	0.588	S	S	*	*			trans	-91.6	113.5	172.7	-67.2	-89.3	0	0	0	107.6	R732 E736	R732-Y734 HydrophobicContact CB-CD2 4.34Å; R732-Y734 HydrophobicContact CB-CE2 3.73Å; R732-Y734 VanDerWaalsContact O-CD2 3.27Å; R732-Y734 WeakPolarHBondContact O-CD2 3.4Å; R732-Y734 PolarHBondContact O-N 3.28Å; Y734-E736 PolarHBondContact O-N 3.09Å
735	P	34.1	Very low	29.1	Very low	29 Å²	29	120.4 Å²	120.4	19%	0.188	59%	0.586	C	S	.	*			trans	-63.9	125.8	175.4	25.9	-33.7	0	0	0	109.7	W514 F705 I737 I758	W514-P735 HydrophobicContact CZ3-CB 4.22Å; W514-P735 HydrophobicContact CZ3-CG 3.95Å; F705-P735 WeakPolarHBondContact O-CG 3.42Å; P735-I737 PolarHBondContact O-N 3.15Å; P735-I758 HydrophobicContact CB-CG2 3.81Å
736	E	31.8	Very low	29.5	Very low	122 Å²	122	113.7 Å²	113.7	57%	0.57	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.9	111.8	173.3	-162.4	178.3	-169.1	0	0	108.7	Y734 Q738	Y734-E736 PolarHBondContact O-N 3.09Å; E736-Q738 PolarHBondContact O-N 3.17Å
737	I	36.2	Very low	30.1	Very low	46 Å²	46	112.8 Å²	112.8	24%	0.236	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	102.4	178.4	-63	178.3	0	0	0	107.7	A698 F705 P735 V739 V756	A698-I737 HydrophobicContact CB-CD1 3.92Å; A698-I737 HydrophobicContact CB-CG2 4.12Å; F705-I737 HydrophobicContact CD2-CD1 3.97Å; P735-I737 PolarHBondContact O-N 3.15Å; I737-V739 HydrophobicContact CG2-CG2 4.11Å; I737-V756 HydrophobicContact CG2-CG1 3.69Å
738	Q	35	Very low	30.6	Very low	120 Å²	120	112.5 Å²	112.5	56%	0.561	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94	125.3	171.1	-69.6	-172.9	-0.4	0	0	110.4	E736 T757	E736-Q738 PolarHBondContact O-N 3.17Å; Q738-T757 PolarHBondContact O-N 3.37Å
739	V	31.7	Very low	30.7	Very low	15 Å²	15	111.5 Å²	111.5	9%	0.091	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	111.2	-179.2	-177.6	0	0	0	0	108.6	L131 I737 W754 V756	L131-V739 HydrophobicContact CD2-CB 4.22Å; I737-V739 HydrophobicContact CG2-CG2 4.11Å; V739-W754 HydrophobicContact CG1-CE3 3.33Å; V739-W754 HydrophobicContact CG1-CZ3 3.51Å; V739-V756 HydrophobicContact CG2-CG2 4.45Å
740	S	37.1	Very low	30.9	Very low	52 Å²	52	108.7 Å²	108.7	36%	0.364	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	172.8	64	0	0	0	0	110.3	R755	S740-R755 PolarHBondContact N-O 3.31Å; S740-R755 PolarHBondContact O-N 3.15Å
741	T	31.7	Very low	31.2	Very low	81 Å²	81	106.3 Å²	106.3	50%	0.497	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.8	166.5	42.6	0	0	0	0	108.9	W754	T741-W754 HydrophobicContact CG2-CD2 3.89Å; T741-W754 HydrophobicContact CG2-CE3 3.48Å; T741-W754 VanDerWaalsContact CG2-CE3 3.48Å; T741-W754 HydrophobicContact CG2-CH2 3.15Å; T741-W754 HydrophobicContact CG2-CZ2 3.53Å; T741-W754 HydrophobicContact CG2-CZ3 3.13Å
742	Q	38	Very low	31.8	Very low	113 Å²	113	107.1 Å²	107.1	53%	0.528	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.4	169.7	-156.7	167.7	7.9	0	0	108.3	L744	Q742-L744 PolarHBondContact O-N 2.9Å
743	R	29.7	Very low	32.3	Very low	187 Å²	187	99.3 Å²	99.3	71%	0.706	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	103.5	176.3	-148.4	-178.7	-165.2	172	1.4	107.2	D745	R743-D745 PolarHBondContact O-N 3.41Å
744	L	33.2	Very low	32.8	Very low	80 Å²	80	97.8 Å²	97.8	42%	0.419	50%	0.502	S	S	.	.			trans	-83.6	105.6	170.7	-77.8	154.3	0	0	0	107.1	Q742 T746	Q742-L744 PolarHBondContact O-N 2.9Å; L744-T746 PolarHBondContact O-N 2.99Å
745	D	28.2	Very low	33.3	Very low	150 Å²	150	95.3 Å²	95.3	80%	0.802	49%	0.492	S	S	*	.			trans	-74	72.5	170.5	-81.3	-23.7	0	0	0	108.9	R743	R743-D745 PolarHBondContact O-N 3.41Å
746	T	33.9	Very low	33.6	Very low	82 Å²	82	94.2 Å²	94.2	50%	0.503	48%	0.484	S	S	.	.			trans	-92.2	122	163.2	47	0	0	0	0	107.8	L744 C748 E749	L744-T746 PolarHBondContact O-N 2.99Å; T746-C748 PolarHBondContact O-N 2.78Å; T746-E749 PolarHBondContact OG1-O 3.04Å
747	N	33.6	Very low	34	Very low	169 Å²	169	90.1 Å²	90.1	90%	0.904	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	113.9	178	-76.8	-33.5	0	0	0	110.4
748	C	32.8	Very low	34.2	Very low	130 Å²	130	88 Å²	88	88%	0.878	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-3.5	168.9	-62	0	0	0	0	121.6	T746	T746-C748 PolarHBondContact O-N 2.78Å
749	E	26	Very low	34.3	Very low	142 Å²	142	83.7 Å²	83.7	66%	0.664	44%	0.442	S	S	*	.			trans	-141	121.4	166.4	-72.9	-169	163.4	0	0	112.6	T746 N751	T746-E749 PolarHBondContact OG1-O 3.04Å; E749-N751 PolarHBondContact O-N 2.68Å
750	L	27.6	Very low	34.4	Very low	136 Å²	136	85.3 Å²	85.3	71%	0.712	45%	0.45	S	S	*	.			trans	-72.8	85	175.6	-80.7	156.9	0	0	0	109.8	T752	L750-T752 PolarHBondContact O-N 2.94Å
751	N	30.7	Very low	34.1	Very low	69 Å²	69	85.9 Å²	85.9	37%	0.369	45%	0.451	S	S	.	.			trans	-86.9	99.2	167.7	-79.4	-22.7	0	0	0	109.5	E749 T753	E749-N751 PolarHBondContact O-N 2.68Å; N751-T753 PolarHBondContact O-N 3.11Å
752	T	34.5	Very low	33.9	Very low	70 Å²	70	90.6 Å²	90.6	43%	0.429	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.7	170.5	53.2	0	0	0	0	109.4	L750 W754	L750-T752 PolarHBondContact O-N 2.94Å; T752-W754 PolarHBondContact OG1-NE1 3.21Å
753	T	36.8	Very low	33.6	Very low	50 Å²	50	94.1 Å²	94.1	31%	0.307	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	166.3	39.9	0	0	0	0	109.3	N751	N751-T753 PolarHBondContact O-N 3.11Å
754	W	37.4	Very low	33.8	Very low	55 Å²	55	89.5 Å²	89.5	21%	0.208	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.1	179.5	-64.5	83.9	0	0	0	108.8	Y695 V739 T741 T752	Y695-W754 HydrophobicContact CD2-CE3 4.36Å; Y695-W754 HydrophobicContact CD2-CH2 4.4Å; Y695-W754 HydrophobicContact CD2-CZ3 4.11Å; Y695-W754 HydrophobicContact CE2-CH2 4.19Å; Y695-W754 HydrophobicContact CE2-CZ3 4.17Å; V739-W754 HydrophobicContact CG1-CE3 3.33Å; V739-W754 HydrophobicContact CG1-CZ3 3.51Å; T741-W754 HydrophobicContact CG2-CD2 3.89Å; T741-W754 HydrophobicContact CG2-CE3 3.48Å; T741-W754 VanDerWaalsContact CG2-CE3 3.48Å; T741-W754 HydrophobicContact CG2-CH2 3.15Å; T741-W754 HydrophobicContact CG2-CZ2 3.53Å; T741-W754 HydrophobicContact CG2-CZ3 3.13Å; T752-W754 PolarHBondContact OG1-NE1 3.21Å
755	R	39.7	Very low	33.8	Very low	104 Å²	104	89.9 Å²	89.9	39%	0.392	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.8	175.8	-178	-177.8	-74.7	172.5	3.6	108.4	L167 S740	L167-R755 HydrophobicContact CD2-CG 3.85Å; S740-R755 PolarHBondContact N-O 3.31Å; S740-R755 PolarHBondContact O-N 3.15Å
756	V	39.9	Very low	34.2	Very low	5 Å²	5	86.6 Å²	86.6	3%	0.03	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.5	173	172.7	0	0	0	0	107.8	F168 L694 I737 V739 I758	F168-V756 PolarHBondContact N-O 2.68Å; F168-V756 PolarHBondContact O-N 3.1Å; L694-V756 HydrophobicContact CD2-CB 3.42Å; L694-V756 VanDerWaalsContact CD2-CB 3.42Å; L694-V756 HydrophobicContact CD2-CG1 3.67Å; L694-V756 HydrophobicContact CD2-CG2 3.53Å; L694-V756 HydrophobicContact CG-CB 4.22Å; L694-V756 HydrophobicContact CG-CG1 4.24Å; L694-V756 HydrophobicContact CG-CG2 3.88Å; I737-V756 HydrophobicContact CG2-CG1 3.69Å; V739-V756 HydrophobicContact CG2-CG2 4.45Å; V756-I758 HydrophobicContact CG1-CG1 4.49Å
757	T	40.2	Very low	34.2	Very low	37 Å²	37	86.9 Å²	86.9	23%	0.227	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.8	174.3	-49.9	0	0	0	0	108.3	L167 Q738	L167-T757 HydrophobicContact CD2-CG2 4.31Å; Q738-T757 PolarHBondContact O-N 3.37Å
758	I	40.1	Very low	34.2	Very low	2 Å²	2	81.8 Å²	81.8	1%	0.01	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	95.1	166.1	-59.5	174.7	0	0	0	105.6	H166 L504 W514 P735 V756	H166-I758 PolarHBondContact O-N 2.91Å; L504-I758 HydrophobicContact CD1-CD1 4.01Å; W514-I758 HydrophobicContact CD2-CD1 4.16Å; W514-I758 HydrophobicContact CD2-CG2 4.14Å; W514-I758 HydrophobicContact CE3-CG2 4.04Å; W514-I758 HydrophobicContact CG-CD1 4.21Å; W514-I758 HydrophobicContact CH2-CG2 3.4Å; W514-I758 HydrophobicContact CZ2-CG2 3.5Å; W514-I758 VanDerWaalsContact CZ2-CG2 3.5Å; W514-I758 HydrophobicContact CZ3-CG2 3.69Å; P735-I758 HydrophobicContact CB-CG2 3.81Å; V756-I758 HydrophobicContact CG1-CG1 4.49Å
759	A	37.4	Very low	34.3	Very low	29 Å²	29	78.5 Å²	78.5	24%	0.24	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.2	174.9	0	0	0	0	0	109	T761	A759-T761 VanDerWaalsContact C-N 3.35Å; A759-T761 PolarHBondContact O-N 3.04Å; A759-T761 VanDerWaalsContact O-N 3.1Å
760	D	34.3	Very low	34.9	Very low	49 Å²	49	74 Å²	74	26%	0.262	40%	0.399	S	S	.	.			trans	-68.7	100.7	156.4	-81.3	-19	0	0	0	105.8	W514 F762	W514-D760 WeakPolarHBondContact CH2-OD1 3.4Å; D760-F762 PolarHBondContact O-N 3.49Å
761	T	30.2	Very low	35.5	Very low	64 Å²	64	69.2 Å²	69.2	39%	0.393	37%	0.374	S	S	.	.			trans	-69.9	86.7	172.2	50.1	0	0	0	0	108.2	L733 A759	L733-T761 WeakPolarHBondContact CD2-O 3.46Å; A759-T761 VanDerWaalsContact C-N 3.35Å; A759-T761 PolarHBondContact O-N 3.04Å; A759-T761 VanDerWaalsContact O-N 3.1Å
762	F	27.7	Very low	35.9	Very low	179 Å²	179	69.3 Å²	69.3	79%	0.785	38%	0.375	S	S	*	.			trans	-64.7	125.7	161.1	-101.5	-91.6	0	0	0	107.7	D760	D760-F762 PolarHBondContact O-N 3.49Å
763	P	32.2	Very low	36	Very low	187 Å²	187	69.2 Å²	69.2	100%	1.214	37%	0.37	S	S	*	.			trans	-63	0	172.5	26.6	-32.8	0	0	0	112.4

Retrieved 763 of 763 residues in 732.8 ms (Link to these results)

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