A0A5K4FB68_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 670 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	38.1	Very low	44.6	Very low	194 Å²	194	125.9 Å²	125.9	96%	0.956	61%	0.614	S	S	*	*				0	-48.1	0	-148.9	170.1	84.6	0	0	112.3	F4 K5	M1-F4 WeakPolarHBondContact O-CB 3.48Å; M1-F4 PolarHBondContact O-N 3.43Å; M1-K5 PolarHBondContact O-N 3.44Å
2	I	35	Very low	45.4	Very low	143 Å²	143	124.4 Å²	124.4	73%	0.733	60%	0.602	S	S	*	*	H	α-helix	trans	-63.8	-45.8	175.7	-64.5	170.4	0	0	0	111.9	F4 K5 C6	I2-F4 VanDerWaalsContact C-N 3.26Å; I2-F4 PolarHBondContact O-N 3.24Å; I2-K5 PolarHBondContact O-N 3.31Å; I2-C6 PolarHBondContact O-N 3.13Å; I2-C6 PolarHBondContact O-SG 3.33Å
3	L	35.5	Very low	46.2	Very low	142 Å²	142	123.7 Å²	123.7	74%	0.743	60%	0.602	S	S	*	*	H	α-helix	trans	-56.2	-37.2	173.3	-87.2	150.5	0	0	0	113.5	C6 E7	L3-C6 PolarHBondContact O-N 3.45Å; L3-E7 PolarHBondContact O-N 3.44Å
4	F	37.3	Very low	47.4	Very low	124 Å²	124	120.7 Å²	120.7	54%	0.544	59%	0.589	S	S	.	*	H	α-helix	trans	-69.5	-37.5	179.7	-139.4	-85.9	0	0	0	112.2	M1 I2 E8 H57	M1-F4 WeakPolarHBondContact O-CB 3.48Å; M1-F4 PolarHBondContact O-N 3.43Å; I2-F4 VanDerWaalsContact C-N 3.26Å; I2-F4 PolarHBondContact O-N 3.24Å; F4-E8 PolarHBondContact O-N 3.5Å; F4-H57 AromaticContact CE2-NE2 3.79Å
5	K	41.3	Very low	47.9	Very low	140 Å²	140	120 Å²	120	61%	0.609	58%	0.584	S	S	*	*	H	α-helix	trans	-70.8	-35.3	172.4	-79.3	-169	174.1	-174.2	0	111.6	M1 I2 Y9	M1-K5 PolarHBondContact O-N 3.44Å; I2-K5 PolarHBondContact O-N 3.31Å; K5-Y9 WeakPolarHBondContact O-CB 3.37Å; K5-Y9 WeakPolarHBondContact O-CD2 3.26Å; K5-Y9 PolarHBondContact O-N 3.17Å
6	C	42.1	Very low	48.3	Very low	68 Å²	68	117.1 Å²	117.1	46%	0.459	58%	0.576	S	S	.	*	H	α-helix	trans	-65.5	-42.6	176.4	-73.4	0	0	0	0	112.3	I2 L3 Y9 V10	I2-C6 PolarHBondContact O-N 3.13Å; I2-C6 PolarHBondContact O-SG 3.33Å; L3-C6 PolarHBondContact O-N 3.45Å; C6-Y9 PolarHBondContact O-N 3.26Å; C6-V10 WeakPolarHBondContact O-CB 3.29Å; C6-V10 VanDerWaalsContact O-CG2 3.25Å; C6-V10 WeakPolarHBondContact O-CG2 3.49Å; C6-V10 PolarHBondContact O-N 2.98Å
7	E	47.4	Very low	48.7	Very low	127 Å²	127	114.9 Å²	114.9	59%	0.593	57%	0.573	S	S	*	*	H	α-helix	trans	-63	-42.5	176.7	-77.2	-177	157.1	0	0	112.4	L3 Y9 V10 L11	L3-E7 PolarHBondContact O-N 3.44Å; E7-Y9 VanDerWaalsContact C-N 3.33Å; E7-Y9 PolarHBondContact O-N 3.46Å; E7-V10 PolarHBondContact O-N 2.96Å; E7-L11 WeakPolarHBondContact O-CB 3.49Å; E7-L11 PolarHBondContact O-N 3.47Å
8	E	49.7	Very low	49.2	Very low	103 Å²	103	112.3 Å²	112.3	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-66.2	-36.3	177.8	-152.2	-163.4	144.2	0	0	112.1	F4 K12	F4-E8 PolarHBondContact O-N 3.5Å; E8-K12 WeakPolarHBondContact O-CB 3.2Å; E8-K12 WeakPolarHBondContact O-CG 3.46Å; E8-K12 PolarHBondContact O-N 3Å; E8-K12 VanDerWaalsContact O-N 3.07Å; E8-K12 IonicContact OE1-NZ 3.83Å; E8-K12 PolarHBondContact OE1-NZ 3.03Å
9	Y	50	Low	49.4	Very low	178 Å²	178	113.9 Å²	113.9	70%	0.698	57%	0.565	S	S	*	*	H	α-helix	trans	-70	-40.9	175.1	-99.5	-86.9	0	0	0	112.6	K5 C6 E7 L11 K12 L13	K5-Y9 WeakPolarHBondContact O-CB 3.37Å; K5-Y9 WeakPolarHBondContact O-CD2 3.26Å; K5-Y9 PolarHBondContact O-N 3.17Å; C6-Y9 PolarHBondContact O-N 3.26Å; E7-Y9 VanDerWaalsContact C-N 3.33Å; E7-Y9 PolarHBondContact O-N 3.46Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-K12 PolarHBondContact O-N 3.1Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 3.35Å
10	V	58.2	Low	49.4	Very low	83 Å²	83	114.3 Å²	114.3	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-40.9	176.7	170.6	0	0	0	0	110.4	C6 E7 L13 I14	C6-V10 WeakPolarHBondContact O-CB 3.29Å; C6-V10 VanDerWaalsContact O-CG2 3.25Å; C6-V10 WeakPolarHBondContact O-CG2 3.49Å; C6-V10 PolarHBondContact O-N 2.98Å; E7-V10 PolarHBondContact O-N 2.96Å; V10-L13 PolarHBondContact O-N 3.48Å; V10-I14 HydrophobicContact CG1-CD1 3.78Å; V10-I14 HydrophobicContact CG1-CG1 4.45Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.08Å
11	L	56.4	Low	49.6	Very low	83 Å²	83	111.5 Å²	111.5	44%	0.435	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-42.9	177.1	-156.4	83.4	0	0	0	111.9	E7 Y9 I14 Q15 I50	E7-L11 WeakPolarHBondContact O-CB 3.49Å; E7-L11 PolarHBondContact O-N 3.47Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; L11-I14 PolarHBondContact O-N 3.08Å; L11-Q15 WeakPolarHBondContact O-CG 3.32Å; L11-Q15 PolarHBondContact O-N 3.07Å; L11-I50 HydrophobicContact CD1-CG2 4.37Å
12	K	53.5	Low	50.2	Low	108 Å²	108	104.7 Å²	104.7	47%	0.47	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-42.1	173.7	-81.5	170.2	173.1	159.3	0	111.6	E8 Y9 I14 Q15 T16	E8-K12 WeakPolarHBondContact O-CB 3.2Å; E8-K12 WeakPolarHBondContact O-CG 3.46Å; E8-K12 PolarHBondContact O-N 3Å; E8-K12 VanDerWaalsContact O-N 3.07Å; E8-K12 IonicContact OE1-NZ 3.83Å; E8-K12 PolarHBondContact OE1-NZ 3.03Å; Y9-K12 PolarHBondContact O-N 3.1Å; K12-I14 PolarHBondContact O-N 3.41Å; K12-Q15 PolarHBondContact O-N 3.07Å; K12-T16 PolarHBondContact O-N 3.32Å; K12-T16 PolarHBondContact O-OG1 3.47Å
13	L	56.7	Low	50.8	Low	115 Å²	115	104.1 Å²	104.1	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-44.9	177.5	-161.3	85.8	0	0	0	111.2	Y9 V10 T16 C17	Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 3.35Å; V10-L13 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-N 3.1Å; L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 3.2Å; L13-C17 PolarHBondContact O-SG 2.93Å; L13-C17 VanDerWaalsContact O-SG 3.34Å
14	I	61.8	Low	51.4	Low	82 Å²	82	102.3 Å²	102.3	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177.3	-69.1	167.2	0	0	0	111.2	V10 L11 K12 T16 C17 L18	V10-I14 HydrophobicContact CG1-CD1 3.78Å; V10-I14 HydrophobicContact CG1-CG1 4.45Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.08Å; L11-I14 PolarHBondContact O-N 3.08Å; K12-I14 PolarHBondContact O-N 3.41Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.08Å; I14-C17 PolarHBondContact O-N 3.43Å; I14-L18 HydrophobicContact CG2-CD1 3.92Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3Å
15	Q	55.3	Low	52	Low	110 Å²	110	100.1 Å²	100.1	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-60	-41.4	174.2	-80.5	-179.5	-24.7	0	0	112	L11 K12 L18 F19	L11-Q15 WeakPolarHBondContact O-CG 3.32Å; L11-Q15 PolarHBondContact O-N 3.07Å; K12-Q15 PolarHBondContact O-N 3.07Å; Q15-L18 PolarHBondContact O-N 3.43Å; Q15-F19 WeakPolarHBondContact O-CB 3.32Å; Q15-F19 PolarHBondContact O-N 3.03Å
16	T	54.8	Low	52.3	Low	73 Å²	73	97.7 Å²	97.7	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-41	-179.5	-34.8	0	0	0	0	111.2	K12 L13 I14 F19 F20	K12-T16 PolarHBondContact O-N 3.32Å; K12-T16 PolarHBondContact O-OG1 3.47Å; L13-T16 PolarHBondContact O-N 3.1Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.08Å; T16-F19 PolarHBondContact O-N 3.38Å; T16-F20 HydrophobicContact CG2-CD2 4.18Å; T16-F20 HydrophobicContact CG2-CE2 4.22Å; T16-F20 WeakPolarHBondContact O-CD2 3.43Å; T16-F20 PolarHBondContact O-N 2.75Å
17	C	54.8	Low	52.3	Low	80 Å²	80	99.4 Å²	99.4	54%	0.541	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-40.2	175.6	-71.6	0	0	0	0	112.5	L13 I14 F20 A21	L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 3.2Å; L13-C17 PolarHBondContact O-SG 2.93Å; L13-C17 VanDerWaalsContact O-SG 3.34Å; I14-C17 PolarHBondContact O-N 3.43Å; C17-F20 PolarHBondContact O-N 2.92Å; C17-A21 WeakPolarHBondContact O-CB 3.48Å; C17-A21 PolarHBondContact O-N 3.34Å
18	L	57	Low	51.8	Low	68 Å²	68	99.1 Å²	99.1	36%	0.356	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-39.8	174.5	-79.8	164.6	0	0	0	111.8	I14 Q15 A21 L22 I46	I14-L18 HydrophobicContact CG2-CD1 3.92Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3Å; Q15-L18 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 PolarHBondContact O-N 3.25Å; L18-I46 HydrophobicContact CD1-CG2 4.36Å; L18-I46 HydrophobicContact CD2-CD1 4.48Å
19	F	53.8	Low	51.3	Low	143 Å²	143	101.7 Å²	101.7	63%	0.627	52%	0.517	S	S	*	.	H	α-helix	trans	-64.6	-43.3	176.2	-167.1	-93.6	0	0	0	112	Q15 T16 L22 Y23	Q15-F19 WeakPolarHBondContact O-CB 3.32Å; Q15-F19 PolarHBondContact O-N 3.03Å; T16-F19 PolarHBondContact O-N 3.38Å; F19-L22 PolarHBondContact O-N 3.34Å; F19-Y23 WeakPolarHBondContact O-CB 3.42Å; F19-Y23 PolarHBondContact O-N 3.4Å
20	F	49.8	Very low	50.6	Low	122 Å²	122	102.2 Å²	102.2	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-67.7	-38.4	175.8	-92.6	-77.5	0	0	0	113	T16 C17 L22 Y23 I24	T16-F20 HydrophobicContact CG2-CD2 4.18Å; T16-F20 HydrophobicContact CG2-CE2 4.22Å; T16-F20 WeakPolarHBondContact O-CD2 3.43Å; T16-F20 PolarHBondContact O-N 2.75Å; C17-F20 PolarHBondContact O-N 2.92Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-Y23 PolarHBondContact O-N 2.88Å; F20-I24 VanDerWaalsContact O-CG1 3.29Å; F20-I24 WeakPolarHBondContact O-CG1 3.46Å; F20-I24 PolarHBondContact O-N 2.97Å
21	A	53.4	Low	49.3	Very low	55 Å²	55	109 Å²	109	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.8	0	0	0	0	0	111.4	C17 L18 I24 T25	C17-A21 WeakPolarHBondContact O-CB 3.48Å; C17-A21 PolarHBondContact O-N 3.34Å; L18-A21 PolarHBondContact O-N 3.45Å; A21-I24 PolarHBondContact O-N 3.26Å; A21-T25 WeakPolarHBondContact O-CG2 3.31Å; A21-T25 PolarHBondContact O-N 2.87Å; A21-T25 VanDerWaalsContact O-N 3.1Å; A21-T25 PolarHBondContact O-OG1 2.78Å
22	L	50.6	Low	48.6	Very low	51 Å²	51	110.1 Å²	110.1	27%	0.267	55%	0.55	S	S	.	.	H	α-helix	trans	-62.5	-44.5	174.5	-85.4	159.6	0	0	0	112	L18 F19 F20 I24 T25 T26 L39 I43	L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 PolarHBondContact O-N 3.25Å; F19-L22 PolarHBondContact O-N 3.34Å; F20-L22 VanDerWaalsContact C-N 3.35Å; L22-I24 PolarHBondContact O-N 2.86Å; L22-T25 WeakPolarHBondContact CA-OG1 3.33Å; L22-T25 PolarHBondContact O-N 2.81Å; L22-T25 PolarHBondContact O-OG1 2.86Å; L22-T26 PolarHBondContact O-N 3.5Å; L22-T26 VanDerWaalsContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 2.6Å; L22-L39 HydrophobicContact CD2-CD1 4.21Å; L22-L39 HydrophobicContact CD2-CD2 3.45Å; L22-L39 VanDerWaalsContact CD2-CD2 3.45Å; L22-L39 HydrophobicContact CD2-CG 3.85Å; L22-I43 HydrophobicContact CD1-CD1 4.23Å; L22-I43 HydrophobicContact CD1-CG1 4.32Å; L22-I43 HydrophobicContact CD2-CD1 4.07Å
23	Y	46.4	Very low	47.9	Very low	132 Å²	132	110.6 Å²	110.6	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-63.8	-38	178.9	-172.7	-101	0	0	0	113.1	F19 F20 T26 I27	F19-Y23 WeakPolarHBondContact O-CB 3.42Å; F19-Y23 PolarHBondContact O-N 3.4Å; F20-Y23 PolarHBondContact O-N 2.88Å; Y23-T26 PolarHBondContact O-OG1 3.32Å; Y23-I27 HydrophobicContact CD1-CD1 3.89Å; Y23-I27 HydrophobicContact CE1-CD1 3.36Å; Y23-I27 HydrophobicContact CE2-CD1 4.13Å; Y23-I27 HydrophobicContact CG-CD1 4.46Å; Y23-I27 WeakPolarHBondContact O-CG1 3.44Å
24	I	48.9	Very low	47	Very low	103 Å²	103	112.6 Å²	112.6	53%	0.528	56%	0.563	S	S	.	*	H	α-helix	trans	-72	-34.5	176.9	-67.2	168.4	0	0	0	111	F20 A21 L22 T26	F20-I24 VanDerWaalsContact O-CG1 3.29Å; F20-I24 WeakPolarHBondContact O-CG1 3.46Å; F20-I24 PolarHBondContact O-N 2.97Å; A21-I24 PolarHBondContact O-N 3.26Å; L22-I24 PolarHBondContact O-N 2.86Å; I24-T26 PolarHBondContact O-N 2.92Å
25	T	49.4	Very low	46	Very low	79 Å²	79	115.9 Å²	115.9	49%	0.485	57%	0.574	S	S	.	*	H	α-helix	trans	-70.6	-27	177.6	53.3	0	0	0	0	114.3	A21 L22	A21-T25 WeakPolarHBondContact O-CG2 3.31Å; A21-T25 PolarHBondContact O-N 2.87Å; A21-T25 VanDerWaalsContact O-N 3.1Å; A21-T25 PolarHBondContact O-OG1 2.78Å; L22-T25 WeakPolarHBondContact CA-OG1 3.33Å; L22-T25 PolarHBondContact O-N 2.81Å; L22-T25 PolarHBondContact O-OG1 2.86Å
26	T	47.4	Very low	45.2	Very low	88 Å²	88	115.4 Å²	115.4	54%	0.54	57%	0.572	S	S	.	*	H	α-helix	trans	-81.7	-26.1	179.6	47.3	0	0	0	0	113.3	L22 Y23 I24	L22-T26 PolarHBondContact O-N 3.5Å; L22-T26 VanDerWaalsContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 2.6Å; Y23-T26 PolarHBondContact O-OG1 3.32Å; I24-T26 PolarHBondContact O-N 2.92Å
27	I	43.8	Very low	44.7	Very low	104 Å²	104	116.6 Å²	116.6	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-80.7	-26.2	-178.3	-68.7	174.3	0	0	0	112.6	Y23	Y23-I27 HydrophobicContact CD1-CD1 3.89Å; Y23-I27 HydrophobicContact CE1-CD1 3.36Å; Y23-I27 HydrophobicContact CE2-CD1 4.13Å; Y23-I27 HydrophobicContact CG-CD1 4.46Å; Y23-I27 WeakPolarHBondContact O-CG1 3.44Å
28	N	36.4	Very low	43.8	Very low	122 Å²	122	119.6 Å²	119.6	65%	0.652	58%	0.583	S	S	*	*	S	Bend	trans	-105.1	10.6	-167.2	-90.3	-18.1	0	0	0	117.4
29	H	38.9	Very low	42.9	Very low	157 Å²	157	119.4 Å²	119.4	73%	0.727	58%	0.581	S	S	*	*	S	Bend	trans	-140.7	130.8	175.7	-89.4	-54.6	0	0	0	115.1	Y31	H29-Y31 PolarHBondContact O-N 3.17Å
30	H	34.7	Very low	42.2	Very low	188 Å²	188	119.5 Å²	119.5	87%	0.87	58%	0.579	S	S	*	*			trans	-45.4	130.2	170.3	-104	-76.1	0	0	0	112.6	N32	H30-N32 PolarHBondContact O-N 2.98Å
31	Y	32.7	Very low	41.6	Very low	225 Å²	225	120.5 Å²	120.5	88%	0.882	58%	0.583	S	S	*	*			trans	-29.5	113.7	175.4	-102.7	-97.9	0	0	0	114.7	H29	H29-Y31 PolarHBondContact O-N 3.17Å
32	N	39.8	Very low	41	Very low	107 Å²	107	121.6 Å²	121.6	57%	0.572	58%	0.584	S	S	*	*			trans	-144.8	105.6	163.7	-156.2	-13.1	0	0	0	111.2	H30 Q34 K35	H30-N32 PolarHBondContact O-N 2.98Å; N32-Q34 PolarHBondContact O-N 3.06Å; N32-Q34 VanDerWaalsContact O-N 3.07Å; N32-K35 PolarHBondContact O-N 3.23Å
33	L	39.7	Very low	40.4	Very low	119 Å²	119	122.3 Å²	122.3	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-55.2	-26	-170.3	-163.3	76	0	0	0	114.3	E36	L33-E36 PolarHBondContact O-N 2.83Å
34	Q	38.6	Very low	40.1	Very low	156 Å²	156	121.3 Å²	121.3	73%	0.729	59%	0.591	S	S	*	*	H	α-helix	trans	-71.3	-28.7	178.3	-86.5	-177	-29.5	0	0	113.9	N32 M38	N32-Q34 PolarHBondContact O-N 3.06Å; N32-Q34 VanDerWaalsContact O-N 3.07Å; Q34-M38 PolarHBondContact O-N 2.87Å
35	K	39.6	Very low	39.4	Very low	151 Å²	151	122.9 Å²	122.9	66%	0.657	59%	0.594	S	S	*	*	H	α-helix	trans	-74.9	-30.8	177.3	-76.8	-173.8	175.5	-177.9	0	111.8	N32 M38 L39	N32-K35 PolarHBondContact O-N 3.23Å; K35-M38 PolarHBondContact O-N 2.87Å; K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.36Å
36	E	39.2	Very low	38.6	Very low	100 Å²	100	122.4 Å²	122.4	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-66.2	-39.5	176.9	-159.5	175.2	-171	0	0	111.8	L33 M38 L39 Y40	L33-E36 PolarHBondContact O-N 2.83Å; E36-M38 PolarHBondContact O-N 3.32Å; E36-L39 PolarHBondContact O-N 3.42Å; E36-Y40 HydrophobicContact CG-CD2 4.15Å; E36-Y40 HydrophobicContact CG-CE2 4.24Å; E36-Y40 WeakPolarHBondContact O-CD2 2.97Å; E36-Y40 PolarHBondContact O-N 3.27Å
37	I	43.3	Very low	37.8	Very low	98 Å²	98	121.2 Å²	121.2	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-65.9	-38.7	175.7	-63.5	170.4	0	0	0	111.6	K41	I37-K41 WeakPolarHBondContact O-CG 3.49Å; I37-K41 PolarHBondContact O-N 3.14Å
38	M	36.9	Very low	37.2	Very low	144 Å²	144	119.4 Å²	119.4	71%	0.709	58%	0.578	S	S	*	*	H	α-helix	trans	-69.4	-40.3	176.6	-154.2	-175.7	-142.8	0	0	110.8	Q34 K35 E36 K41 T42	Q34-M38 PolarHBondContact O-N 2.87Å; K35-M38 PolarHBondContact O-N 2.87Å; E36-M38 PolarHBondContact O-N 3.32Å; M38-K41 PolarHBondContact O-N 2.94Å; M38-T42 PolarHBondContact O-N 3.5Å; M38-T42 PolarHBondContact O-OG1 3.4Å
39	L	38.3	Very low	36.9	Very low	63 Å²	63	122.9 Å²	122.9	33%	0.33	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-47	177.6	-146.9	87.1	0	0	0	111.8	L22 K35 E36 K41 T42 I43	L22-L39 HydrophobicContact CD2-CD1 4.21Å; L22-L39 HydrophobicContact CD2-CD2 3.45Å; L22-L39 VanDerWaalsContact CD2-CD2 3.45Å; L22-L39 HydrophobicContact CD2-CG 3.85Å; K35-L39 WeakPolarHBondContact O-CB 3.48Å; K35-L39 PolarHBondContact O-N 3.36Å; E36-L39 PolarHBondContact O-N 3.42Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.49Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.83Å; L39-T42 VanDerWaalsContact O-N 3.15Å; L39-T42 PolarHBondContact O-OG1 3.01Å; L39-I43 HydrophobicContact CD2-CD1 4.42Å; L39-I43 HydrophobicContact CG-CD1 4.47Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.48Å
40	Y	38.6	Very low	36.7	Very low	145 Å²	145	118.5 Å²	118.5	57%	0.569	56%	0.563	S	S	*	*	H	α-helix	trans	-60.6	-40.7	175.7	-97.8	-82.4	0	0	0	112	E36 T42 I43 D44	E36-Y40 HydrophobicContact CG-CD2 4.15Å; E36-Y40 HydrophobicContact CG-CE2 4.24Å; E36-Y40 WeakPolarHBondContact O-CD2 2.97Å; E36-Y40 PolarHBondContact O-N 3.27Å; Y40-T42 VanDerWaalsContact C-N 3.33Å; Y40-T42 PolarHBondContact O-N 2.86Å; Y40-I43 PolarHBondContact O-N 3.02Å; Y40-D44 PolarHBondContact O-N 3.29Å
41	K	37.2	Very low	36.5	Very low	143 Å²	143	117.8 Å²	117.8	62%	0.622	56%	0.558	S	S	*	*	H	α-helix	trans	-64.7	-33.6	174.8	-77.7	-174.5	175.4	-172.6	0	113.4	I37 M38 L39	I37-K41 WeakPolarHBondContact O-CG 3.49Å; I37-K41 PolarHBondContact O-N 3.14Å; M38-K41 PolarHBondContact O-N 2.94Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.49Å
42	T	40	Very low	36.4	Very low	79 Å²	79	114.5 Å²	114.5	49%	0.485	55%	0.55	S	S	.	.	H	α-helix	trans	-74.7	-33.7	172.7	21.9	0	0	0	0	113.1	M38 L39 Y40 D44 F45 I46	M38-T42 PolarHBondContact O-N 3.5Å; M38-T42 PolarHBondContact O-OG1 3.4Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.83Å; L39-T42 VanDerWaalsContact O-N 3.15Å; L39-T42 PolarHBondContact O-OG1 3.01Å; Y40-T42 VanDerWaalsContact C-N 3.33Å; Y40-T42 PolarHBondContact O-N 2.86Å; T42-D44 VanDerWaalsContact C-N 3.31Å; T42-D44 PolarHBondContact O-N 2.91Å; T42-F45 PolarHBondContact O-N 3.31Å; T42-F45 VanDerWaalsContact O-N 3.14Å; T42-I46 PolarHBondContact O-N 2.96Å
43	I	39.1	Very low	35.8	Very low	65 Å²	65	115.2 Å²	115.2	33%	0.333	55%	0.553	S	S	.	*	H	α-helix	trans	-66.9	-33.1	176.3	-70.2	166.9	0	0	0	110.9	L22 L39 Y40 F45 P47	L22-I43 HydrophobicContact CD1-CD1 4.23Å; L22-I43 HydrophobicContact CD1-CG1 4.32Å; L22-I43 HydrophobicContact CD2-CD1 4.07Å; L39-I43 HydrophobicContact CD2-CD1 4.42Å; L39-I43 HydrophobicContact CG-CD1 4.47Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.48Å; Y40-I43 PolarHBondContact O-N 3.02Å; I43-F45 VanDerWaalsContact C-N 3.26Å; I43-F45 PolarHBondContact O-N 3.45Å; I43-P47 WeakPolarHBondContact O-CD 3.39Å
44	D	39.1	Very low	35.3	Very low	111 Å²	111	115 Å²	115	59%	0.594	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-23.1	173	-75.5	-22.3	0	0	0	113.2	Y40 T42	Y40-D44 PolarHBondContact O-N 3.29Å; T42-D44 VanDerWaalsContact C-N 3.31Å; T42-D44 PolarHBondContact O-N 2.91Å
45	F	35	Very low	34.8	Very low	136 Å²	136	114.6 Å²	114.6	60%	0.596	56%	0.561	S	S	*	*	H	α-helix	trans	-83.2	-29.7	-177.6	-111.7	-86.2	0	0	0	114	T42 I43 C48 W49	T42-F45 PolarHBondContact O-N 3.31Å; T42-F45 VanDerWaalsContact O-N 3.14Å; I43-F45 VanDerWaalsContact C-N 3.26Å; I43-F45 PolarHBondContact O-N 3.45Å; F45-C48 PolarHBondContact O-N 2.92Å; F45-W49 AromaticContact CD1-CD1 3.97Å; F45-W49 PolarHBondContact O-N 2.75Å; F45-W49 VanDerWaalsContact O-N 3.13Å
46	I	33	Very low	34.2	Very low	70 Å²	70	115.3 Å²	115.3	36%	0.359	57%	0.571	S	S	.	*	H	α-helix	trans	-70.4	-41.2	-174.4	-65.2	170.2	0	0	0	112.7	L18 T42 C48 W49 I50	L18-I46 HydrophobicContact CD1-CG2 4.36Å; L18-I46 HydrophobicContact CD2-CD1 4.48Å; T42-I46 PolarHBondContact O-N 2.96Å; I46-C48 VanDerWaalsContact C-N 3.35Å; I46-W49 PolarHBondContact O-N 2.7Å; I46-I50 HydrophobicContact CG2-CD1 4.07Å; I46-I50 WeakPolarHBondContact O-CG1 3.38Å; I46-I50 PolarHBondContact O-N 2.96Å
47	P	30.5	Very low	33.6	Very low	63 Å²	63	117.9 Å²	117.9	41%	0.409	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-42.2	171.4	-21.4	31.9	0	0	0	111.7	I43 W49 I50 F51	I43-P47 WeakPolarHBondContact O-CD 3.39Å; P47-W49 VanDerWaalsContact C-N 3.31Å; P47-W49 PolarHBondContact O-N 3.07Å; P47-I50 PolarHBondContact O-N 3Å; P47-F51 HydrophobicContact CB-CD2 4.5Å; P47-F51 WeakPolarHBondContact O-CD2 3.35Å; P47-F51 PolarHBondContact O-N 3.04Å
48	C	30.6	Very low	32.8	Very low	66 Å²	66	116.3 Å²	116.3	45%	0.446	59%	0.591	S	S	.	*	H	α-helix	trans	-62.4	-35.5	-179.6	-74.7	0	0	0	0	112.8	F45 I46 H52	F45-C48 PolarHBondContact O-N 2.92Å; I46-C48 VanDerWaalsContact C-N 3.35Å; C48-H52 WeakPolarHBondContact O-CB 3.28Å; C48-H52 PolarHBondContact O-CD2 2.92Å; C48-H52 PolarHBondContact O-N 2.88Å
49	W	31	Very low	32.5	Very low	195 Å²	195	113.6 Å²	113.6	74%	0.739	59%	0.586	S	S	*	*	H	α-helix	trans	-73.3	-35.5	175	-93.9	69.1	0	0	0	113.6	F45 I46 P47 H52	F45-W49 AromaticContact CD1-CD1 3.97Å; F45-W49 PolarHBondContact O-N 2.75Å; F45-W49 VanDerWaalsContact O-N 3.13Å; I46-W49 PolarHBondContact O-N 2.7Å; P47-W49 VanDerWaalsContact C-N 3.31Å; P47-W49 PolarHBondContact O-N 3.07Å; W49-H52 PolarHBondContact O-N 3.49Å
50	I	33.5	Very low	32.2	Very low	64 Å²	64	120.7 Å²	120.7	33%	0.328	61%	0.609	S	S	.	*	H	α-helix	trans	-72	-32	177.7	-65	171.4	0	0	0	111.1	L11 I46 P47	L11-I50 HydrophobicContact CD1-CG2 4.37Å; I46-I50 HydrophobicContact CG2-CD1 4.07Å; I46-I50 WeakPolarHBondContact O-CG1 3.38Å; I46-I50 PolarHBondContact O-N 2.96Å; P47-I50 PolarHBondContact O-N 3Å
51	F	30.5	Very low	31.9	Very low	174 Å²	174	121.9 Å²	121.9	76%	0.763	62%	0.619	S	S	*	*	H	α-helix	trans	-80.1	-12.7	176	-81.4	-72.2	0	0	0	114.7	P47	P47-F51 HydrophobicContact CB-CD2 4.5Å; P47-F51 WeakPolarHBondContact O-CD2 3.35Å; P47-F51 PolarHBondContact O-N 3.04Å
52	H	30.9	Very low	31.7	Very low	155 Å²	155	122.2 Å²	122.2	72%	0.718	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	8.1	179.3	-74.2	-49.1	0	0	0	115.1	C48 W49 P54	C48-H52 WeakPolarHBondContact O-CB 3.28Å; C48-H52 PolarHBondContact O-CD2 2.92Å; C48-H52 PolarHBondContact O-N 2.88Å; W49-H52 PolarHBondContact O-N 3.49Å; H52-P54 WeakPolarHBondContact O-CD 3.41Å
53	L	28.1	Very low	31.3	Very low	123 Å²	123	124.4 Å²	124.4	64%	0.644	63%	0.627	S	S	*	*	S	Bend	trans	-70	119.8	160.5	-90.7	148.6	0	0	0	108.2	L55	L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.46Å
54	P	27.5	Very low	31	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	64%	0.64	S	S	*	*			trans	-67.9	93.1	177.8	27.9	-30.7	0	0	0	107.9	H52 L56	H52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-L56 PolarHBondContact O-N 3.48Å
55	L	28.8	Very low	30.6	Very low	148 Å²	148	128.7 Å²	128.7	78%	0.775	64%	0.644	S	S	*	*			trans	-61.6	107.1	167.7	-83.5	161.8	0	0	0	107.1	L53 H57	L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.46Å; L55-H57 PolarHBondContact O-N 3.22Å
56	L	27.2	Very low	30.6	Very low	166 Å²	166	126.5 Å²	126.5	87%	0.869	64%	0.642	S	S	*	*			trans	-57.2	52.8	177.3	-82.9	154.3	0	0	0	113.4	P54	P54-L56 PolarHBondContact O-N 3.48Å
57	H	27.7	Very low	30.6	Very low	154 Å²	154	129.2 Å²	129.2	71%	0.713	65%	0.653	S	S	*	*			trans	-134.5	78	-178	-79.8	-6.5	0	0	0	112.2	F4 L55	F4-H57 AromaticContact CE2-NE2 3.79Å; L55-H57 PolarHBondContact O-N 3.22Å
58	G	26.4	Very low	30.8	Very low	66 Å²	66	134 Å²	134	68%	0.68	67%	0.668	S	S	*	*	S	Bend	trans	-131.8	22.3	177	0	0	0	0	0	115.8
59	S	30.2	Very low	31	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	67%	0.674	S	S	*	*	S	Bend	trans	-139.4	-10.2	-175.4	60.7	0	0	0	0	118.2
60	R	31.2	Very low	31.1	Very low	212 Å²	212	136 Å²	136	80%	0.8	67%	0.673	S	S	*	*	S	Bend	trans	-101.9	-29.2	-177.8	-96.9	-178.5	174.1	175.5	-1.1	116.4
61	H	32.8	Very low	31.2	Very low	169 Å²	169	137.4 Å²	137.4	78%	0.782	68%	0.681	S	S	*	*	H	α-helix	trans	-79.9	-24.9	178.4	-90.4	-63.6	0	0	0	113.8
62	Q	32.9	Very low	31.3	Very low	151 Å²	151	137.2 Å²	137.2	71%	0.706	68%	0.677	S	S	*	*	H	α-helix	trans	-73.9	-28.8	-179.9	-139.9	168.6	-0.9	0	0	112.5	T66	Q62-T66 PolarHBondContact O-N 3.29Å; Q62-T66 PolarHBondContact O-OG1 2.85Å
63	Q	32.5	Very low	31.6	Very low	124 Å²	124	134 Å²	134	58%	0.579	67%	0.669	S	S	*	*	H	α-helix	trans	-74.4	-40	178.6	-71.8	-177	-22.1	0	0	112.9	F65 T66 Q67	Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.43Å; Q63-T66 PolarHBondContact O-N 2.92Å; Q63-T66 PolarHBondContact O-OG1 3Å; Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.15Å
64	N	31.1	Very low	32	Very low	111 Å²	111	134.8 Å²	134.8	59%	0.594	67%	0.669	S	S	*	*	H	α-helix	trans	-70.8	-26.1	179.2	-79.4	-12.9	0	0	0	113.3	K68	N64-K68 PolarHBondContact O-N 3Å
65	F	31.2	Very low	32.2	Very low	155 Å²	155	136.2 Å²	136.2	68%	0.68	67%	0.665	S	S	*	*	H	α-helix	trans	-79.5	-36.2	177.1	-144.9	-90.9	0	0	0	112.2	Q63 Q67 L69	Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.43Å; F65-Q67 VanDerWaalsContact C-N 3.34Å; F65-L69 HydrophobicContact CD1-CD1 4.11Å; F65-L69 HydrophobicContact CE1-CD1 3.99Å; F65-L69 PolarHBondContact O-N 2.6Å
66	T	36	Very low	32.6	Very low	91 Å²	91	135.3 Å²	135.3	56%	0.558	66%	0.657	S	S	*	*	H	α-helix	trans	-70.2	-30.6	174.9	21.9	0	0	0	0	112.6	Q62 Q63 R70	Q62-T66 PolarHBondContact O-N 3.29Å; Q62-T66 PolarHBondContact O-OG1 2.85Å; Q63-T66 PolarHBondContact O-N 2.92Å; Q63-T66 PolarHBondContact O-OG1 3Å; T66-R70 PolarHBondContact O-N 3.41Å
67	Q	32.9	Very low	32.9	Very low	126 Å²	126	136.4 Å²	136.4	59%	0.589	66%	0.655	S	S	*	*	H	α-helix	trans	-72.4	-41.6	178.9	-151.8	147.7	0.5	0	0	112.1	Q63 F65 L69 R70 D71	Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.15Å; F65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.02Å; Q67-R70 PolarHBondContact O-N 3.45Å; Q67-D71 PolarHBondContact O-N 2.73Å
68	K	33.2	Very low	33.1	Very low	165 Å²	165	139.9 Å²	139.9	72%	0.717	66%	0.661	S	S	*	*	H	α-helix	trans	-64.9	-32.4	172.9	-86	-174.5	174.2	-177.4	0	113.8	N64 Y72	N64-K68 PolarHBondContact O-N 3Å; K68-Y72 PolarHBondContact O-N 2.89Å
69	L	34.8	Very low	33.2	Very low	110 Å²	110	144 Å²	144	58%	0.576	66%	0.663	S	S	*	*	H	α-helix	trans	-71	-31.7	175.9	-118.3	94.4	0	0	0	112.7	F65 Q67 T73	F65-L69 HydrophobicContact CD1-CD1 4.11Å; F65-L69 HydrophobicContact CE1-CD1 3.99Å; F65-L69 PolarHBondContact O-N 2.6Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.02Å; L69-T73 PolarHBondContact O-N 2.85Å; L69-T73 PolarHBondContact O-OG1 2.98Å
70	R	33.2	Very low	33.2	Very low	191 Å²	191	148.9 Å²	148.9	72%	0.721	68%	0.676	S	S	*	*	H	α-helix	trans	-69.1	-41.3	176	-100.3	-174.2	-174.5	-179.8	3	112.5	T66 Q67 Y72 T73 Q74	T66-R70 PolarHBondContact O-N 3.41Å; Q67-R70 PolarHBondContact O-N 3.45Å; R70-Y72 VanDerWaalsContact C-N 3.3Å; R70-Y72 PolarHBondContact O-N 3.38Å; R70-T73 PolarHBondContact O-N 3.05Å; R70-T73 PolarHBondContact O-OG1 3.42Å; R70-Q74 PolarHBondContact O-N 3.15Å; R70-Q74 VanDerWaalsContact O-N 3.1Å
71	D	35.2	Very low	32.9	Very low	94 Å²	94	145 Å²	145	50%	0.503	68%	0.679	S	S	.	*	H	α-helix	trans	-67.3	-34.3	179.3	-67.8	-19.3	0	0	0	111.6	Q67 H75	Q67-D71 PolarHBondContact O-N 2.73Å; D71-H75 PolarHBondContact O-N 3.31Å
72	Y	32.6	Very low	32.5	Very low	171 Å²	171	142.4 Å²	142.4	67%	0.671	68%	0.679	S	S	*	*	H	α-helix	trans	-70.5	-35.8	177.3	-138.8	-89.7	0	0	0	113.1	K68 R70 H76	K68-Y72 PolarHBondContact O-N 2.89Å; R70-Y72 VanDerWaalsContact C-N 3.3Å; R70-Y72 PolarHBondContact O-N 3.38Å; Y72-H76 PolarHBondContact O-N 3.17Å
73	T	38.3	Very low	32	Very low	88 Å²	88	139.9 Å²	139.9	54%	0.54	68%	0.678	S	S	.	*	H	α-helix	trans	-76.6	-28	177.3	27.6	0	0	0	0	113.1	L69 R70 K77	L69-T73 PolarHBondContact O-N 2.85Å; L69-T73 PolarHBondContact O-OG1 2.98Å; R70-T73 PolarHBondContact O-N 3.05Å; R70-T73 PolarHBondContact O-OG1 3.42Å; T73-K77 PolarHBondContact O-N 2.9Å
74	Q	36.4	Very low	31.7	Very low	138 Å²	138	144.8 Å²	144.8	65%	0.645	69%	0.693	S	S	*	*	H	α-helix	trans	-73.8	-33.6	172.6	-80.9	-174.4	-21	0	0	112.8	R70	R70-Q74 PolarHBondContact O-N 3.15Å; R70-Q74 VanDerWaalsContact O-N 3.1Å
75	H	32.4	Very low	31.3	Very low	144 Å²	144	147.9 Å²	147.9	67%	0.667	70%	0.704	S	S	*	*	H	α-helix	trans	-69.1	-35.8	175.8	-104.3	-69.8	0	0	0	113.2	D71 R78	D71-H75 PolarHBondContact O-N 3.31Å; H75-R78 PolarHBondContact O-N 3.44Å
76	H	35.8	Very low	31	Very low	128 Å²	128	145.9 Å²	145.9	59%	0.593	70%	0.704	S	S	*	*	H	α-helix	trans	-76.4	-21.9	178.7	-101.4	-59.5	0	0	0	114.6	Y72 R78	Y72-H76 PolarHBondContact O-N 3.17Å; H76-R78 VanDerWaalsContact C-N 3.3Å; H76-R78 PolarHBondContact O-N 2.83Å
77	K	34.3	Very low	30.5	Very low	190 Å²	190	149 Å²	149	83%	0.826	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-8.2	175.2	-80	-172.9	176	-175.8	0	114.3	T73	T73-K77 PolarHBondContact O-N 2.9Å
78	R	31.8	Very low	30.1	Very low	227 Å²	227	152 Å²	152	86%	0.857	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	1.7	177.5	-86	-176.2	172	179.7	-1.8	114.7	H75 H76	H75-R78 PolarHBondContact O-N 3.44Å; H76-R78 VanDerWaalsContact C-N 3.3Å; H76-R78 PolarHBondContact O-N 2.83Å
79	Q	28.8	Very low	29.6	Very low	153 Å²	153	151.4 Å²	151.4	72%	0.715	73%	0.728	S	S	*	*			trans	-131.4	65.5	-177.5	-68.5	-174.4	-11.9	0	0	112.6
80	Q	28.9	Very low	29.1	Very low	188 Å²	188	154.4 Å²	154.4	88%	0.879	73%	0.733	S	S	*	*			trans	-145.3	123.3	153.8	-80.1	-165.2	-23.6	0	0	110.3
81	P	25.8	Very low	28.8	Very low	132 Å²	132	153.4 Å²	153.4	86%	0.857	74%	0.736	S	S	*	*			trans	-82.5	147.2	177.6	32.4	-31.4	0	0	0	112
82	S	24.2	Very low	28.2	Very low	113 Å²	113	157.2 Å²	157.2	79%	0.79	76%	0.757	S	S	*	*			trans	-66.2	129.3	177.3	49.8	0	0	0	0	113.6
83	S	23.6	Very low	27.8	Very low	98 Å²	98	152.8 Å²	152.8	69%	0.685	76%	0.763	S	S	*	*			trans	173.8	121.6	134.2	41.7	0	0	0	0	110.8
84	Y	25.6	Very low	27.2	Very low	228 Å²	228	157.5 Å²	157.5	89%	0.894	78%	0.779	S	S	*	*				159.1	126	120	-90.3	-75.9	0	0	0	109.5
85	Q	23.3	Very low	26.5	Very low	175 Å²	175	159.1 Å²	159.1	82%	0.818	79%	0.787	S	S	*	*			trans	-122.6	151.1	-170.2	-150.5	-172.1	6.7	0	0	106.1
86	V	24	Very low	26	Very low	113 Å²	113	160.8 Å²	160.8	69%	0.685	80%	0.795	S	S	*	*			trans	82.4	124.8	157.3	-168.8	0	0	0	0	114.6
87	N	26.4	Very low	25.4	Very low	156 Å²	156	160.8 Å²	160.8	83%	0.834	81%	0.809	S	S	*	*				-160.5	156.1	52	-129.4	-17.7	0	0	0	114.6
88	K	24.3	Very low	24.7	Very low	191 Å²	191	161 Å²	161	83%	0.83	81%	0.81	S	S	*	*			trans	-78.9	162.5	173	-72.8	174.2	172.9	176	0	111.9
89	Q	22.4	Very low	24.3	Very low	152 Å²	152	156.1 Å²	156.1	71%	0.71	80%	0.8	S	S	*	*				146	146.5	114.6	-150.2	174	-4.3	0	0	114.8
90	Y	24.5	Very low	24	Very low	173 Å²	173	157.8 Å²	157.8	68%	0.678	81%	0.805	S	S	*	*			trans	81.5	141.3	168.8	-65.8	-84.3	0	0	0	118.9
91	Q	25.8	Very low	23.6	Very low	169 Å²	169	158.2 Å²	158.2	79%	0.79	80%	0.804	S	S	*	*			cis	-173.7	156.2	-25.2	-127	-178.6	-3.7	0	0	105.9
92	N	23.5	Very low	23.4	Very low	175 Å²	175	155.5 Å²	155.5	94%	0.936	80%	0.8	S	S	*	*			trans	-61.3	155.3	-179.7	-74.3	-30.9	0	0	0	115.3
93	G	24.8	Very low	23.2	Very low	78 Å²	78	158 Å²	158	80%	0.804	80%	0.799	S	S	*	*			trans	-156.3	130.2	163.1	0	0	0	0	0	111.6
94	E	23.8	Very low	23.1	Very low	186 Å²	186	160.3 Å²	160.3	87%	0.869	80%	0.803	S	S	*	*			trans	-60.2	144	-167.6	-67.6	156.9	152.3	0	0	115.4
95	Q	21.7	Very low	23.1	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.804	79%	0.792	S	S	*	*				55.4	126.5	85.4	-103	-171.5	8.7	0	0	116.7
96	Q	22.5	Very low	23.1	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	79%	0.79	S	S	*	*			trans	89.5	104.8	161.8	-58.9	-177.4	5.1	0	0	119.9
97	S	23	Very low	22.9	Very low	127 Å²	127	152.4 Å²	152.4	89%	0.888	80%	0.797	S	S	*	*				-152.8	134.3	124.3	55.7	0	0	0	0	110.2
98	F	21.1	Very low	22.7	Very low	194 Å²	194	149.7 Å²	149.7	85%	0.851	79%	0.79	S	S	*	*			trans	-125.7	146.4	-173.7	-122.2	-67.5	0	0	0	107.3
99	I	21.9	Very low	22.5	Very low	126 Å²	126	150.5 Å²	150.5	65%	0.646	79%	0.794	S	S	*	*			trans	87	112.4	149.8	-56.8	163.5	0	0	0	120
100	K	22.5	Very low	22.5	Very low	187 Å²	187	150 Å²	150	81%	0.813	79%	0.793	S	S	*	*				159.5	107.2	116.5	-106.2	147.4	-175.5	-171.6	0	111.2
101	F	20.9	Very low	22.4	Very low	198 Å²	198	149.8 Å²	149.8	87%	0.868	80%	0.802	S	S	*	*				83.8	130.3	90.5	-94.6	-74.6	0	0	0	116.7
102	G	21.1	Very low	22.3	Very low	74 Å²	74	146.7 Å²	146.7	76%	0.763	80%	0.795	S	S	*	*			trans	169.6	87.2	165.5	0	0	0	0	0	117.6
103	H	21.3	Very low	22.2	Very low	166 Å²	166	147.4 Å²	147.4	77%	0.769	79%	0.785	S	S	*	*			trans	4.7	130.5	159.9	-74.9	-66.3	0	0	0	127
104	L	20.2	Very low	22.2	Very low	147 Å²	147	151.9 Å²	151.9	77%	0.77	78%	0.784	S	S	*	*				56.1	165.9	128.2	-95	92.3	0	0	0	122.6
105	P	26.7	Very low	22.2	Very low	103 Å²	103	147.3 Å²	147.3	67%	0.669	77%	0.768	S	S	*	*			cis	-137.3	170.2	-43.3	36.8	-19.1	0	0	0	113.7
106	S	22.3	Very low	22.4	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	77%	0.768	S	S	*	*			trans	171.2	121.6	130.2	47.2	0	0	0	0	113.9
107	T	20.9	Very low	22.5	Very low	137 Å²	137	144.3 Å²	144.3	84%	0.84	76%	0.762	S	S	*	*			trans	4.2	109.5	145.3	52.8	0	0	0	0	118.3
108	S	22.1	Very low	22.7	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	75%	0.752	S	S	*	*			trans	-119.3	115.1	139.6	81.3	0	0	0	0	108.5	M110	S108-M110 PolarHBondContact O-N 2.96Å
109	K	20.4	Very low	23	Very low	209 Å²	209	140.2 Å²	140.2	91%	0.909	74%	0.739	S	S	*	*			trans	-67.6	88.4	167.2	-78.4	178	175.2	176	0	107
110	M	22.3	Very low	23.1	Very low	141 Å²	141	141.7 Å²	141.7	70%	0.695	75%	0.749	S	S	*	*			trans	-74.6	124	157	-80.6	-160.1	175.5	0	0	107.6	S108 T112	S108-M110 PolarHBondContact O-N 2.96Å; M110-T112 PolarHBondContact O-N 2.84Å; M110-T112 PolarHBondContact O-OG1 3.43Å
111	I	21.8	Very low	23.4	Very low	169 Å²	169	137.3 Å²	137.3	87%	0.867	74%	0.742	S	S	*	*			trans	-67.5	85.1	164.4	-62.3	171	0	0	0	105.9	R113	I111-R113 PolarHBondContact O-N 3.14Å
112	T	22.7	Very low	23.5	Very low	104 Å²	104	132.8 Å²	132.8	64%	0.638	74%	0.741	S	S	*	*			trans	-71.9	106.7	170.7	26.4	0	0	0	0	107.9	M110 H114	M110-T112 PolarHBondContact O-N 2.84Å; M110-T112 PolarHBondContact O-OG1 3.43Å; T112-H114 PolarHBondContact O-N 3.06Å
113	R	23.2	Very low	23.7	Very low	190 Å²	190	135.3 Å²	135.3	72%	0.717	74%	0.741	S	S	*	*			trans	-66.4	114.9	153.9	-76.8	-173.6	178.1	177.5	0.9	106	I111 V115	I111-R113 PolarHBondContact O-N 3.14Å; R113-V115 PolarHBondContact O-N 3.49Å; R113-V115 VanDerWaalsContact O-N 3.14Å
114	H	23	Very low	23.7	Very low	172 Å²	172	133.9 Å²	133.9	80%	0.796	74%	0.744	S	S	*	*			trans	-50.9	116.7	-178.9	-72	-87.3	0	0	0	111.1	T112	T112-H114 PolarHBondContact O-N 3.06Å
115	V	25.6	Very low	24	Very low	89 Å²	89	133.4 Å²	133.4	54%	0.539	75%	0.747	S	S	.	*			trans	-91.6	107.8	159.7	176.4	0	0	0	0	105.2	R113 L117	R113-V115 PolarHBondContact O-N 3.49Å; R113-V115 VanDerWaalsContact O-N 3.14Å; V115-L117 HydrophobicContact CG1-CG 4.44Å; V115-L117 PolarHBondContact O-N 3.23Å
116	L	24	Very low	23.8	Very low	150 Å²	150	134 Å²	134	79%	0.785	75%	0.749	S	S	*	*			trans	-79.6	101.1	170.8	-83.6	156.1	0	0	0	107.5	N118	L116-N118 PolarHBondContact O-N 2.9Å
117	L	26.5	Very low	23.9	Very low	140 Å²	140	136.3 Å²	136.3	73%	0.733	75%	0.753	S	S	*	*			trans	-77.8	104.1	159.5	-71	163.8	0	0	0	106.2	V115 D119	V115-L117 HydrophobicContact CG1-CG 4.44Å; V115-L117 PolarHBondContact O-N 3.23Å; L117-D119 VanDerWaalsContact C-N 3.34Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-D119 VanDerWaalsContact O-N 3.14Å
118	N	26.5	Very low	24	Very low	125 Å²	125	140.3 Å²	140.3	67%	0.668	75%	0.753	S	S	*	*			trans	-77.8	94	164.7	-84.9	9	0	0	0	107.6	L116 D120	L116-N118 PolarHBondContact O-N 2.9Å; N118-D120 PolarHBondContact O-N 3.28Å
119	D	26.6	Very low	24.1	Very low	109 Å²	109	142.4 Å²	142.4	58%	0.583	76%	0.755	S	S	*	*			trans	-78	93.3	158.5	-82.5	-28	0	0	0	108	L117 S121 Q227	L117-D119 VanDerWaalsContact C-N 3.34Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-D119 VanDerWaalsContact O-N 3.14Å; D119-S121 PolarHBondContact O-N 2.83Å; D119-Q227 PolarHBondContact OD1-NE2 2.89Å
120	D	25	Very low	24.3	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	75%	0.747	S	S	*	*			trans	-71	84.3	164.2	-76.5	-28.6	0	0	0	108.4	N118	N118-D120 PolarHBondContact O-N 3.28Å
121	S	27.9	Very low	24.3	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	74%	0.744	S	S	*	*			trans	-113.4	108	161	61.3	0	0	0	0	108.9	D119 T123	D119-S121 PolarHBondContact O-N 2.83Å; S121-T123 PolarHBondContact O-N 2.98Å
122	A	22.7	Very low	24.5	Very low	103 Å²	103	138.2 Å²	138.2	85%	0.851	74%	0.741	S	S	*	*			trans	-67.8	108.7	172.7	0	0	0	0	0	109.8
123	T	26.3	Very low	24.3	Very low	126 Å²	126	144.7 Å²	144.7	77%	0.773	76%	0.755	S	S	*	*			trans	-149	110.2	150.5	40	0	0	0	0	110.2	S121	S121-T123 PolarHBondContact O-N 2.98Å
124	T	21.4	Very low	24.4	Very low	136 Å²	136	141.2 Å²	141.2	83%	0.834	76%	0.757	S	S	*	*			trans	-32.7	121.9	152.8	43.3	0	0	0	0	113.9
125	V	26.2	Very low	24.5	Very low	137 Å²	137	137.6 Å²	137.6	83%	0.83	76%	0.757	S	S	*	*			trans	-156.7	125.9	132.1	179.1	0	0	0	0	109.2
126	T	22.5	Very low	24.4	Very low	116 Å²	116	143.7 Å²	143.7	71%	0.712	78%	0.777	S	S	*	*			trans	-50.5	131.3	166.1	44.1	0	0	0	0	114.5
127	N	24.7	Very low	24.4	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	78%	0.782	S	S	*	*				-175.1	145.5	117.8	-97.1	-28.6	0	0	0	113.9
128	R	22.5	Very low	24.3	Very low	222 Å²	222	143.7 Å²	143.7	84%	0.838	78%	0.78	S	S	*	*			trans	-62.8	150.8	-175.6	-64.8	166	162.8	172.8	-5.3	113.3
129	L	24.2	Very low	24.2	Very low	141 Å²	141	148.9 Å²	148.9	74%	0.738	79%	0.792	S	S	*	*				172.6	126.4	102.9	-86.2	156.3	0	0	0	112.5
130	H	24.7	Very low	24	Very low	157 Å²	157	150.8 Å²	150.8	73%	0.727	80%	0.802	S	S	*	*			trans	66.9	103.7	149.7	-69.9	-60.4	0	0	0	121.1
131	S	22.8	Very low	23.9	Very low	91 Å²	91	152.4 Å²	152.4	64%	0.636	80%	0.801	S	S	*	*				74.1	126.4	79.9	75.5	0	0	0	0	113.3
132	K	24.8	Very low	23.7	Very low	184 Å²	184	154.9 Å²	154.9	80%	0.8	81%	0.807	S	S	*	*				-160.9	135.3	53.6	-76	172.4	171.8	175	0	111.7
133	Y	20.5	Very low	23.8	Very low	239 Å²	239	157.4 Å²	157.4	94%	0.937	81%	0.806	S	S	*	*			trans	-147.8	119.9	144.3	-82.2	-76.9	0	0	0	108
134	P	24.9	Very low	23.6	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	80%	0.802	S	S	*	*			trans	-97	127.6	156.5	34.4	-23.9	0	0	0	107.7
135	A	24.7	Very low	23.7	Very low	96 Å²	96	158.8 Å²	158.8	79%	0.793	80%	0.802	S	S	*	*				117.7	111.1	74.8	0	0	0	0	0	106.5
136	F	22.3	Very low	23.7	Very low	216 Å²	216	157.4 Å²	157.4	95%	0.947	79%	0.794	S	S	*	*			trans	-81.1	129	173.5	-100.9	-96.3	0	0	0	108.9
137	E	24.1	Very low	23.7	Very low	191 Å²	191	162.3 Å²	162.3	89%	0.893	80%	0.8	S	S	*	*			trans	-119	135.8	157.3	-85.4	-176.1	166.5	0	0	109.8
138	S	24.9	Very low	23.7	Very low	99 Å²	99	162.4 Å²	162.4	69%	0.692	80%	0.796	S	S	*	*			trans	-61.3	152.4	-176.6	51.1	0	0	0	0	115
139	Y	24.3	Very low	23.7	Very low	234 Å²	234	160.6 Å²	160.6	92%	0.918	80%	0.796	S	S	*	*				-163.5	133.9	128.8	-101.3	-72.6	0	0	0	112.5
140	N	23.2	Very low	23.8	Very low	150 Å²	150	159 Å²	159	80%	0.802	80%	0.797	S	S	*	*			trans	-61.9	142.1	172	-76.5	-40.2	0	0	0	113
141	K	23.5	Very low	23.7	Very low	191 Å²	191	160.6 Å²	160.6	83%	0.83	80%	0.802	S	S	*	*				170.6	140.5	121.5	-92.1	167.5	-177.9	-177.4	0	111.8
142	D	22.7	Very low	23.8	Very low	148 Å²	148	163.5 Å²	163.5	79%	0.791	81%	0.81	S	S	*	*			trans	63.2	95.5	162.1	-61	-25.3	0	0	0	119.1
143	L	24.2	Very low	23.7	Very low	156 Å²	156	161.3 Å²	161.3	82%	0.817	81%	0.806	S	S	*	*			trans	-124.6	62.4	166	-97.3	152.8	0	0	0	110.9	V146	L143-V146 HydrophobicContact CD2-CB 4.33Å
144	S	22.7	Very low	23.8	Very low	99 Å²	99	153.8 Å²	153.8	69%	0.692	79%	0.789	S	S	*	*	S	Bend	trans	-101.6	120.2	141.3	67.7	0	0	0	0	106.2
145	K	23.2	Very low	23.6	Very low	192 Å²	192	153.8 Å²	153.8	84%	0.835	78%	0.78	S	S	*	*	S	Bend	trans	86.1	102.6	-167.7	-52.6	165.4	-178.5	177.5	0	112.5
146	V	25.4	Very low	23.4	Very low	108 Å²	108	157.1 Å²	157.1	66%	0.655	78%	0.779	S	S	*	*				179.6	93.6	128.7	168.2	0	0	0	0	106.3	L143	L143-V146 HydrophobicContact CD2-CB 4.33Å
147	Y	23.8	Very low	23.5	Very low	218 Å²	218	155.4 Å²	155.4	86%	0.855	77%	0.767	S	S	*	*			trans	-53.5	141.2	145.1	-97.4	-104.5	0	0	0	107.5
148	H	23.5	Very low	23.4	Very low	161 Å²	161	152.9 Å²	152.9	75%	0.745	76%	0.759	S	S	*	*			trans	91.9	79.4	-173.9	-52.7	-68.2	0	0	0	115.4
149	H	23.6	Very low	23.5	Very low	184 Å²	184	154 Å²	154	85%	0.852	76%	0.764	S	S	*	*				169.5	89.5	127.7	-88.2	-50.8	0	0	0	110.3
150	S	26.1	Very low	23.5	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	76%	0.757	S	S	*	*			trans	-109.4	61.3	162.7	61.8	0	0	0	0	110.2
151	K	23.4	Very low	23.6	Very low	191 Å²	191	151.2 Å²	151.2	83%	0.83	76%	0.756	S	S	*	*			trans	-92.4	80.4	148.6	-84.1	-172.9	177.1	-178.4	0	106.4
152	N	23.8	Very low	23.7	Very low	151 Å²	151	148.2 Å²	148.2	81%	0.807	75%	0.754	S	S	*	*			trans	166	72	158.9	-90.2	-9.3	0	0	0	108.6
153	L	22.9	Very low	23.7	Very low	138 Å²	138	146.8 Å²	146.8	72%	0.723	76%	0.756	S	S	*	*			trans	-100.8	71.7	152.5	-94.8	148.6	0	0	0	106.5	M155	L153-M155 HydrophobicContact CD2-CG 3.76Å; L153-M155 PolarHBondContact O-N 3.07Å; L153-M155 VanDerWaalsContact O-N 3.07Å
154	S	21.8	Very low	23.7	Very low	82 Å²	82	145 Å²	145	57%	0.573	75%	0.752	S	S	*	*			trans	-72	84.5	149.8	53.5	0	0	0	0	106	H156	S154-H156 PolarHBondContact O-N 3.19Å
155	M	21.9	Very low	23.7	Very low	118 Å²	118	149.2 Å²	149.2	58%	0.581	76%	0.762	S	S	*	*			trans	-65.5	93.6	162	-77.1	-135.9	-99	0	0	107	L153 Y157	L153-M155 HydrophobicContact CD2-CG 3.76Å; L153-M155 PolarHBondContact O-N 3.07Å; L153-M155 VanDerWaalsContact O-N 3.07Å; M155-Y157 HydrophobicContact CB-CD2 3.92Å; M155-Y157 HydrophobicContact CB-CE2 3.84Å; M155-Y157 HydrophobicContact CE-CE2 3.91Å; M155-Y157 WeakPolarHBondContact CE-OH 3.46Å; M155-Y157 HydrophobicContact CG-CE2 4.45Å; M155-Y157 PolarHBondContact O-N 3.08Å; M155-Y157 HydrophobicContact SD-CE2 3.88Å
156	H	20.7	Very low	23.7	Very low	166 Å²	166	149.2 Å²	149.2	77%	0.769	76%	0.763	S	S	*	*			trans	-64.8	85.7	157.4	-77.9	-64.9	0	0	0	107.2	S154 L158	S154-H156 PolarHBondContact O-N 3.19Å; H156-L158 VanDerWaalsContact C-N 3.26Å; H156-L158 PolarHBondContact O-N 3.04Å
157	Y	23.5	Very low	23.6	Very low	180 Å²	180	148 Å²	148	71%	0.706	76%	0.763	S	S	*	*			trans	-64.3	98	155.7	-79.3	-83.2	0	0	0	106.3	M155 P159	M155-Y157 HydrophobicContact CB-CD2 3.92Å; M155-Y157 HydrophobicContact CB-CE2 3.84Å; M155-Y157 HydrophobicContact CE-CE2 3.91Å; M155-Y157 WeakPolarHBondContact CE-OH 3.46Å; M155-Y157 HydrophobicContact CG-CE2 4.45Å; M155-Y157 PolarHBondContact O-N 3.08Å; M155-Y157 HydrophobicContact SD-CE2 3.88Å; Y157-P159 VanDerWaalsContact O-CD 3.25Å; Y157-P159 WeakPolarHBondContact O-CD 3.43Å
158	L	22.6	Very low	23.8	Very low	138 Å²	138	145.4 Å²	145.4	72%	0.723	76%	0.763	S	S	*	*			trans	-59.1	116.9	153.4	-95.4	97.9	0	0	0	106.2	H156 N160	H156-L158 VanDerWaalsContact C-N 3.26Å; H156-L158 PolarHBondContact O-N 3.04Å; L158-N160 PolarHBondContact O-N 3.4Å
159	P	25.9	Very low	23.8	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	77%	0.77	S	S	*	*			trans	-73.7	89.6	168.7	30.7	-27.2	0	0	0	106.2	Y157 K161	Y157-P159 VanDerWaalsContact O-CD 3.25Å; Y157-P159 WeakPolarHBondContact O-CD 3.43Å; P159-K161 VanDerWaalsContact C-N 3.28Å; P159-K161 PolarHBondContact O-N 2.9Å
160	N	25.9	Very low	23.9	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	75%	0.753	S	S	*	*			trans	-67.4	100	164.2	-105.6	-4.1	0	0	0	107.6	L158	L158-N160 PolarHBondContact O-N 3.4Å
161	K	25.4	Very low	23.8	Very low	181 Å²	181	145.1 Å²	145.1	79%	0.787	76%	0.76	S	S	*	*	S	Bend	trans	8.4	126.2	147.3	-70.8	177	175.5	177.7	0	115.8	P159	P159-K161 VanDerWaalsContact C-N 3.28Å; P159-K161 PolarHBondContact O-N 2.9Å
162	T	24.5	Very low	24.1	Very low	127 Å²	127	143.9 Å²	143.9	78%	0.779	76%	0.757	S	S	*	*			trans	73.3	74.3	147.6	58.6	0	0	0	0	118.3
163	S	23.6	Very low	24.6	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	75%	0.754	S	S	*	*				-116.3	85.5	127.5	69.3	0	0	0	0	108.3	M165	S163-M165 VanDerWaalsContact C-N 3.25Å; S163-M165 PolarHBondContact O-N 2.87Å
164	T	23.5	Very low	25.2	Very low	118 Å²	118	141.9 Å²	141.9	72%	0.724	75%	0.747	S	S	*	*			trans	-68.4	89.7	165.9	47.5	0	0	0	0	107.8	K166	T164-K166 PolarHBondContact O-N 3.46Å
165	M	23.9	Very low	26	Very low	187 Å²	187	146.7 Å²	146.7	92%	0.921	75%	0.753	S	S	*	*			trans	-62.2	97.7	150.9	-95.7	-175.3	160.5	0	0	105.7	S163 A167	S163-M165 VanDerWaalsContact C-N 3.25Å; S163-M165 PolarHBondContact O-N 2.87Å; M165-A167 PolarHBondContact O-N 2.89Å
166	K	22.1	Very low	27	Very low	193 Å²	193	143.9 Å²	143.9	84%	0.839	74%	0.74	S	S	*	*			trans	-59.6	106.6	166.5	-89.4	-179.6	173.7	177.1	0	106.3	T164 I168	T164-K166 PolarHBondContact O-N 3.46Å; K166-I168 PolarHBondContact O-N 3.37Å
167	A	24.6	Very low	28.4	Very low	81 Å²	81	136.5 Å²	136.5	67%	0.669	71%	0.707	S	S	*	*			trans	-53.6	129	160.3	0	0	0	0	0	107	M165 N169	M165-A167 PolarHBondContact O-N 2.89Å; A167-N169 PolarHBondContact O-N 2.84Å
168	I	26.3	Very low	29.5	Very low	165 Å²	165	133.2 Å²	133.2	85%	0.846	69%	0.694	S	S	*	*			trans	-59.5	107.6	171.9	-63.5	170.9	0	0	0	105.6	K166 G170	K166-I168 PolarHBondContact O-N 3.37Å; I168-G170 PolarHBondContact O-N 3.45Å
169	N	23.9	Very low	30.6	Very low	168 Å²	168	131.8 Å²	131.8	90%	0.898	68%	0.679	S	S	*	*			trans	-59.7	108.7	172.6	-88.5	-12.9	0	0	0	108	A167	A167-N169 PolarHBondContact O-N 2.84Å
170	G	25	Very low	31.5	Very low	47 Å²	47	127.8 Å²	127.8	49%	0.485	65%	0.651	S	S	.	*			trans	178.1	113.9	172.8	0	0	0	0	0	108.4	I168	I168-G170 PolarHBondContact O-N 3.45Å
171	Y	25.9	Very low	32.2	Very low	231 Å²	231	124.2 Å²	124.2	91%	0.906	64%	0.635	S	S	*	*	S	Bend	trans	91.5	113.1	171.4	-48.2	-72.2	0	0	0	116.9
172	E	29.7	Very low	32.9	Very low	164 Å²	164	121.8 Å²	121.8	77%	0.766	63%	0.631	S	S	*	*			trans	-53.8	130.4	173.8	-127.4	177.1	151.7	0	0	111	H174	E172-H174 PolarHBondContact O-N 2.96Å
173	V	32.5	Very low	33.7	Very low	123 Å²	123	119.9 Å²	119.9	75%	0.745	64%	0.636	S	S	*	*			trans	-69.7	113.4	-176.9	-178.7	0	0	0	0	109.2
174	H	36.4	Very low	34.7	Very low	124 Å²	124	123.3 Å²	123.3	57%	0.574	63%	0.631	S	S	*	*			trans	-59.7	140.9	170.2	-86.8	-102.8	0	0	0	110.9	E172 I187	E172-H174 PolarHBondContact O-N 2.96Å; H174-I187 HydrophobicContact CB-CD1 3.88Å; H174-I187 HydrophobicContact CB-CG1 4.3Å
175	R	38.7	Very low	36	Very low	184 Å²	184	123.9 Å²	123.9	69%	0.694	63%	0.625	S	S	*	*	S	Bend	trans	-89.4	-13.6	-149	-66.5	-179.5	-177	179.5	1.6	116
176	D	42.7	Very low	37.6	Very low	59 Å²	59	117 Å²	117	32%	0.316	59%	0.591	S	S	.	*	S	Bend	trans	-151.6	163.2	168.4	-57.4	-65.2	0	0	0	108.8	Y178 H225	D176-Y178 HydrophobicContact CB-CD1 4.3Å; D176-Y178 HydrophobicContact CB-CD2 4.2Å; D176-Y178 HydrophobicContact CB-CE1 3.76Å; D176-Y178 HydrophobicContact CB-CE2 3.67Å; D176-Y178 VanDerWaalsContact CB-CZ 3.44Å; D176-Y178 VanDerWaalsContact O-CD2 3.25Å; D176-Y178 WeakPolarHBondContact O-CD2 3.36Å; D176-Y178 WeakPolarHBondContact O-CE2 3.45Å; D176-Y178 PolarHBondContact O-N 3.16Å; D176-Y178 VanDerWaalsContact O-N 3.16Å; D176-Y178 PolarHBondContact OD2-OH 3.33Å; D176-H225 IonicContact OD1-ND1 2.89Å
177	C	49.8	Very low	39.5	Very low	11 Å²	11	110.2 Å²	110.2	7%	0.074	56%	0.563	C	S	.	*			trans	-71.1	106.4	162.1	-56.3	0	0	0	0	108.1	C189 P222	C177-C189 HydrophobicContact CB-CB 4.01Å; C177-C189 WeakPolarHBondContact CB-SG 3.47Å; C177-C189 WeakPolarHBondContact SG-CB 3.41Å; C177-C189 CovalentContact SG-SG 2Å; C177-C189 PolarHBondContact SG-SG 2.9Å; C177-P222 HydrophobicContact CB-CB 3.5Å; C177-P222 VanDerWaalsContact CB-CB 3.5Å
178	Y	46.9	Very low	41.7	Very low	110 Å²	110	106.4 Å²	106.4	43%	0.431	53%	0.532	S	S	.	.			trans	-99.8	159.7	166.9	-39.8	-95.1	0	0	0	110.7	D176 N180 E186	D176-Y178 HydrophobicContact CB-CD1 4.3Å; D176-Y178 HydrophobicContact CB-CD2 4.2Å; D176-Y178 HydrophobicContact CB-CE1 3.76Å; D176-Y178 HydrophobicContact CB-CE2 3.67Å; D176-Y178 VanDerWaalsContact CB-CZ 3.44Å; D176-Y178 VanDerWaalsContact O-CD2 3.25Å; D176-Y178 WeakPolarHBondContact O-CD2 3.36Å; D176-Y178 WeakPolarHBondContact O-CE2 3.45Å; D176-Y178 PolarHBondContact O-N 3.16Å; D176-Y178 VanDerWaalsContact O-N 3.16Å; D176-Y178 PolarHBondContact OD2-OH 3.33Å; Y178-N180 PolarHBondContact O-N 3.04Å; Y178-E186 WeakPolarHBondContact CA-OE2 3.44Å; Y178-E186 WeakPolarHBondContact CB-OE2 3.44Å
179	W	45.8	Very low	44	Very low	109 Å²	109	98.8 Å²	98.8	41%	0.413	49%	0.493	S	S	.	.			trans	-74.7	126.4	179.5	-64.5	64.2	0	0	0	107	T181 W332	W179-T181 PolarHBondContact O-N 3.01Å; W179-W332 AromaticContact CE3-CD2 3.88Å; W179-W332 HydrophobicContact CE3-CD2 3.88Å; W179-W332 AromaticContact CE3-CE3 3.67Å; W179-W332 HydrophobicContact CE3-CE3 3.67Å; W179-W332 HydrophobicContact CE3-CG 4.49Å; W179-W332 HydrophobicContact CE3-CH2 4.24Å; W179-W332 HydrophobicContact CE3-CZ2 4.44Å; W179-W332 AromaticContact CE3-CZ3 3.83Å; W179-W332 HydrophobicContact CE3-CZ3 3.83Å; W179-W332 HydrophobicContact CZ3-CD2 4.27Å; W179-W332 AromaticContact CZ3-CE3 3.61Å; W179-W332 HydrophobicContact CZ3-CE3 3.61Å; W179-W332 AromaticContact CZ3-CZ3 3.74Å; W179-W332 HydrophobicContact CZ3-CZ3 3.74Å
180	N	44.5	Very low	46.5	Very low	36 Å²	36	90.8 Å²	90.8	19%	0.193	45%	0.45	C	S	.	.			trans	-53.1	103.4	174.3	-76.9	-16.7	0	0	0	109	Y178 E186 W332	Y178-N180 PolarHBondContact O-N 3.04Å; N180-E186 WeakPolarHBondContact OD1-CA 2.98Å; N180-E186 WeakPolarHBondContact OD1-CB 3.27Å; N180-E186 PolarHBondContact OD1-N 2.98Å; N180-W332 PolarHBondContact O-NE1 3.19Å
181	T	41.4	Very low	48.9	Very low	72 Å²	72	89.1 Å²	89.1	44%	0.442	43%	0.43	S	S	.	.			trans	-108.7	134.7	178.1	42.8	0	0	0	0	109	W179 G183 R184	W179-T181 PolarHBondContact O-N 3.01Å; T181-G183 PolarHBondContact O-N 3.21Å; T181-R184 PolarHBondContact O-N 3.3Å
182	D	39.7	Very low	51	Low	130 Å²	130	80 Å²	80	70%	0.695	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.1	65	166.5	-60.6	-2	0	0	0	116.2	R184 N330	D182-R184 VanDerWaalsContact C-N 3.34Å; D182-R184 PolarHBondContact O-N 3.48Å; D182-N330 PolarHBondContact OD1-ND2 3.15Å; D182-N330 PolarHBondContact OD1-OD1 2.87Å; D182-N330 VanDerWaalsContact OD1-OD1 3.06Å
183	G	41.9	Very low	53.1	Low	87 Å²	87	72.4 Å²	72.4	90%	0.897	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	2.6	166.6	0	0	0	0	0	116	T181	T181-G183 PolarHBondContact O-N 3.21Å
184	R	42.9	Very low	54.7	Low	191 Å²	191	70.8 Å²	70.8	72%	0.721	34%	0.343	S	S	*	.			trans	-89.4	114.4	164.4	-68.7	-175.5	178.9	-174	-0	109.3	T181 D182 E186	T181-R184 PolarHBondContact O-N 3.3Å; D182-R184 VanDerWaalsContact C-N 3.34Å; D182-R184 PolarHBondContact O-N 3.48Å; R184-E186 PolarHBondContact O-N 3.27Å; R184-E186 VanDerWaalsContact O-N 3.13Å
185	Q	50.7	Low	56	Low	129 Å²	129	66.4 Å²	66.4	60%	0.603	33%	0.325	S	S	*	.			trans	-70.5	96.9	163.7	-88.8	179.3	-26.8	0	0	107.2	E252	Q185-E252 PolarHBondContact NE2-OE1 3.22Å; Q185-E252 PolarHBondContact NE2-OE2 3.45Å
186	E	57.6	Low	57.2	Low	42 Å²	42	57.8 Å²	57.8	20%	0.196	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-81	159.4	169.3	-57.3	-161.1	166.6	0	0	111.5	Y178 N180 R184	Y178-E186 WeakPolarHBondContact CA-OE2 3.44Å; Y178-E186 WeakPolarHBondContact CB-OE2 3.44Å; N180-E186 WeakPolarHBondContact OD1-CA 2.98Å; N180-E186 WeakPolarHBondContact OD1-CB 3.27Å; N180-E186 PolarHBondContact OD1-N 2.98Å; R184-E186 PolarHBondContact O-N 3.27Å; R184-E186 VanDerWaalsContact O-N 3.13Å
187	I	63.1	Low	58.3	Low	52 Å²	52	56.3 Å²	56.3	27%	0.267	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67.3	129.7	-170.4	-51.1	-171.7	0	0	0	109.2	H174 R359 T360	H174-I187 HydrophobicContact CB-CD1 3.88Å; H174-I187 HydrophobicContact CB-CG1 4.3Å; I187-R359 HydrophobicContact CG2-CB 3.99Å; I187-T360 HydrophobicContact CB-CG2 4.38Å; I187-T360 HydrophobicContact CG2-CG2 3.25Å
188	P	70.7	Confident	58.9	Low	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-57.5	147.8	179.8	29.8	-43.1	0	0	0	111.3	L249 A251 E255 L356 T360	P188-L249 WeakPolarHBondContact CA-O 3.34Å; P188-A251 HydrophobicContact CB-CB 4.08Å; P188-E255 HydrophobicContact CB-CG 4.32Å; P188-E255 VanDerWaalsContact CG-CD 3.49Å; P188-E255 HydrophobicContact CG-CG 3.69Å; P188-E255 WeakPolarHBondContact CG-OE1 3.35Å; P188-L356 HydrophobicContact CB-CD2 4.11Å; P188-L356 HydrophobicContact CG-CD2 4.47Å; P188-T360 PolarHBondContact O-OG1 3.44Å
189	C	73.7	Confident	59.5	Low	4 Å²	4	55.1 Å²	55.1	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	163.2	-179.8	86.4	0	0	0	0	113.3	C177 T248 L249	C177-C189 HydrophobicContact CB-CB 4.01Å; C177-C189 WeakPolarHBondContact CB-SG 3.47Å; C177-C189 WeakPolarHBondContact SG-CB 3.41Å; C177-C189 CovalentContact SG-SG 2Å; C177-C189 PolarHBondContact SG-SG 2.9Å; C189-T248 CarbonylContact O-C 3.55Å; C189-T248 WeakPolarHBondContact O-CA 3.47Å; C189-L249 PolarHBondContact N-O 3.27Å; C189-L249 VanDerWaalsContact N-O 3.11Å; C189-L249 PolarHBondContact O-N 3.18Å
190	I	76.7	Confident	60.3	Low	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132	174.8	-57	-178.2	0	0	0	109.9	H247 T248 L356 Q362 I364	I190-H247 WeakPolarHBondContact CA-O 3.36Å; I190-T248 HydrophobicContact CG1-CG2 4.14Å; I190-L356 HydrophobicContact CD1-CB 3.76Å; I190-L356 HydrophobicContact CG1-CB 3.72Å; I190-L356 HydrophobicContact CG1-CD2 4.22Å; I190-Q362 HydrophobicContact CB-CB 4.45Å; I190-Q362 HydrophobicContact CD1-CB 4.02Å; I190-Q362 VanDerWaalsContact CD1-O 3.3Å; I190-Q362 WeakPolarHBondContact CD1-O 3.47Å; I190-Q362 HydrophobicContact CG1-CB 4.1Å; I190-I364 HydrophobicContact CG2-CD1 3.31Å; I190-I364 HydrophobicContact CG2-CG1 3.85Å
191	L	75	Confident	61	Low	13 Å²	13	56 Å²	56	7%	0.068	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-79.2	147.8	175.6	-60.2	178.3	0	0	0	111.5	P193 H247 L249	L191-P193 VanDerWaalsContact O-CD 3.28Å; L191-P193 WeakPolarHBondContact O-CD 2.98Å; L191-H247 HydrophobicContact CB-CB 4.26Å; L191-H247 HydrophobicContact CD1-CB 4.01Å; L191-H247 HydrophobicContact CG-CB 4.4Å; L191-H247 PolarHBondContact N-O 3.16Å; L191-L249 HydrophobicContact CD2-CB 4.24Å
192	N	70.8	Confident	61.7	Low	38 Å²	38	58.6 Å²	58.6	20%	0.203	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.4	118.5	175.9	-176.2	-7.9	0	0	0	110.8	Y194 P195 Q221 I230	N192-Y194 WeakPolarHBondContact OD1-CB 3.03Å; N192-Y194 PolarHBondContact OD1-N 3.35Å; N192-P195 WeakPolarHBondContact O-CD 3.42Å; N192-Q221 WeakPolarHBondContact CB-O 3.25Å; N192-I230 HydrophobicContact CB-CD1 4.45Å
193	P	73.6	Confident	62.3	Low	5 Å²	5	58 Å²	58	3%	0.032	28%	0.28	C	S	.	.			trans	-77.8	-17.6	-177.1	31.9	-38.8	0	0	0	114.1	L191 L196 Y197 M232 P245 I364 Y366	L191-P193 VanDerWaalsContact O-CD 3.28Å; L191-P193 WeakPolarHBondContact O-CD 2.98Å; P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 3.33Å; P193-L196 VanDerWaalsContact O-N 3.17Å; P193-Y197 PolarHBondContact O-N 3.07Å; P193-M232 HydrophobicContact CB-SD 4.05Å; P193-M232 HydrophobicContact CG-SD 3.48Å; P193-M232 WeakPolarHBondContact CG-SD 3.45Å; P193-P245 HydrophobicContact CB-CB 4.47Å; P193-P245 HydrophobicContact CB-CG 3.84Å; P193-I364 HydrophobicContact CB-CD1 4.32Å; P193-I364 HydrophobicContact CG-CD1 3.79Å; P193-I364 HydrophobicContact CG-CG1 4.37Å; P193-I364 HydrophobicContact CG-CG2 4.11Å; P193-Y366 WeakPolarHBondContact CB-OH 3.48Å; P193-Y366 WeakPolarHBondContact CG-OH 3.47Å
194	Y	67.3	Low	62.6	Low	90 Å²	90	55.5 Å²	55.5	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-58.6	-47.4	-169.3	-163.8	-83.9	0	0	0	113.8	N192 L196 Y197 E198 M232	N192-Y194 WeakPolarHBondContact OD1-CB 3.03Å; N192-Y194 PolarHBondContact OD1-N 3.35Å; Y194-L196 PolarHBondContact O-N 3Å; Y194-Y197 PolarHBondContact O-N 2.75Å; Y194-E198 HydrophobicContact CD1-CG 4.15Å; Y194-E198 HydrophobicContact CE1-CG 3.72Å; Y194-E198 PolarHBondContact O-N 3.3Å; Y194-M232 HydrophobicContact CD2-CE 3.89Å
195	P	62.7	Low	62.7	Low	31 Å²	31	52 Å²	52	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-32.9	-179.9	-23.1	37.2	0	0	0	112.6	N192 L219	N192-P195 WeakPolarHBondContact O-CD 3.42Å; P195-L219 HydrophobicContact CB-CD2 3.33Å; P195-L219 HydrophobicContact CB-CG 4.48Å
196	L	63.7	Low	62.7	Low	3 Å²	3	48.4 Å²	48.4	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-73.1	-46.8	177	176.7	69.3	0	0	0	111.8	P193 Y194 E198 M199 I200 I208 Y212 P245 H247	P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 3.33Å; P193-L196 VanDerWaalsContact O-N 3.17Å; Y194-L196 PolarHBondContact O-N 3Å; L196-E198 PolarHBondContact O-N 2.88Å; L196-M199 WeakPolarHBondContact O-CB 3.37Å; L196-M199 PolarHBondContact O-N 3.07Å; L196-M199 VanDerWaalsContact O-N 3.13Å; L196-I200 HydrophobicContact CD1-CD1 3.86Å; L196-I200 HydrophobicContact CD1-CG1 4.24Å; L196-I200 HydrophobicContact CD2-CD1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.46Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 3.42Å; L196-I208 HydrophobicContact CD1-CB 4.39Å; L196-I208 HydrophobicContact CD1-CD1 4.41Å; L196-I208 HydrophobicContact CD1-CG1 4.21Å; L196-I208 HydrophobicContact CD1-CG2 3.31Å; L196-Y212 HydrophobicContact CD1-CE2 4.03Å; L196-P245 HydrophobicContact CD2-CB 3.46Å; L196-P245 VanDerWaalsContact CD2-CB 3.46Å; L196-P245 HydrophobicContact CD2-CG 4.1Å; L196-P245 HydrophobicContact CG-CB 4.47Å; L196-H247 WeakPolarHBondContact CD2-CE1 3.48Å
197	Y	65.6	Low	62.2	Low	28 Å²	28	50.2 Å²	50.2	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-46.4	179.8	174.3	-98.5	0	0	0	112.2	P193 Y194 M199 I200 R201 M232 L234	P193-Y197 PolarHBondContact O-N 3.07Å; Y194-Y197 PolarHBondContact O-N 2.75Å; Y197-M199 PolarHBondContact O-N 3.34Å; Y197-I200 PolarHBondContact O-N 2.89Å; Y197-R201 VanDerWaalsContact O-CB 3.3Å; Y197-R201 WeakPolarHBondContact O-CB 3.47Å; Y197-R201 PolarHBondContact O-N 2.83Å; Y197-M232 HydrophobicContact CD1-CE 3.68Å; Y197-M232 HydrophobicContact CE1-CE 4.47Å; Y197-M232 HydrophobicContact CG-CE 3.72Å; Y197-L234 HydrophobicContact CD1-CD2 4.14Å; Y197-L234 HydrophobicContact CD2-CD1 4.3Å; Y197-L234 HydrophobicContact CD2-CD2 4.03Å; Y197-L234 HydrophobicContact CE1-CD2 3.59Å; Y197-L234 HydrophobicContact CE2-CD1 3.84Å; Y197-L234 HydrophobicContact CE2-CD2 3.49Å; Y197-L234 VanDerWaalsContact CE2-CD2 3.49Å; Y197-L234 HydrophobicContact CE2-CG 4.21Å; Y197-L234 HydrophobicContact CG-CD2 4.34Å; Y197-L234 WeakPolarHBondContact OH-CD2 3Å
198	E	62.3	Low	61.4	Low	62 Å²	62	48.7 Å²	48.7	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-53.1	-39.4	174.6	-94.9	-92.6	144.5	0	0	112	Y194 L196 K202	Y194-E198 HydrophobicContact CD1-CG 4.15Å; Y194-E198 HydrophobicContact CE1-CG 3.72Å; Y194-E198 PolarHBondContact O-N 3.3Å; L196-E198 PolarHBondContact O-N 2.88Å; E198-K202 WeakPolarHBondContact O-CB 3.38Å; E198-K202 WeakPolarHBondContact O-CG 3.43Å; E198-K202 PolarHBondContact O-N 3.1Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.86Å; E198-K202 PolarHBondContact OE2-NZ 2.82Å
199	M	59.2	Low	60.1	Low	34 Å²	34	50.9 Å²	50.9	17%	0.167	24%	0.243	C	C	.	.	H	α-helix	trans	-76.5	-46	-175.1	-145.6	175.7	-68.8	0	0	112.3	L196 Y197 R201 K202 F203 L211 I217 L219	L196-M199 WeakPolarHBondContact O-CB 3.37Å; L196-M199 PolarHBondContact O-N 3.07Å; L196-M199 VanDerWaalsContact O-N 3.13Å; Y197-M199 PolarHBondContact O-N 3.34Å; M199-R201 VanDerWaalsContact C-N 3.26Å; M199-R201 PolarHBondContact O-N 1.99Å; M199-K202 PolarHBondContact O-N 2.78Å; M199-F203 HydrophobicContact CG-CD2 4.37Å; M199-F203 PolarHBondContact O-N 2.86Å; M199-L211 HydrophobicContact CG-CD1 4.39Å; M199-L211 HydrophobicContact SD-CB 4.13Å; M199-L211 HydrophobicContact SD-CD1 3.25Å; M199-L211 WeakPolarHBondContact SD-CD1 3.4Å; M199-L211 HydrophobicContact SD-CD2 3.81Å; M199-L211 HydrophobicContact SD-CG 3.9Å; M199-I217 HydrophobicContact CE-CG2 4.13Å; M199-L219 HydrophobicContact CE-CD1 4.07Å; M199-L219 HydrophobicContact CE-CD2 3.54Å; M199-L219 HydrophobicContact CE-CG 4.18Å
200	I	62.8	Low	58.8	Low	18 Å²	18	56.4 Å²	56.4	9%	0.092	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-38.2	177	-64.7	171.5	0	0	0	110.5	L196 Y197 F203 P204 I208 Y243	L196-I200 HydrophobicContact CD1-CD1 3.86Å; L196-I200 HydrophobicContact CD1-CG1 4.24Å; L196-I200 HydrophobicContact CD2-CD1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.46Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 3.42Å; Y197-I200 PolarHBondContact O-N 2.89Å; I200-F203 CarbonylContact O-C 3.56Å; I200-F203 VanDerWaalsContact O-C 3.29Å; I200-F203 PolarHBondContact O-N 3.22Å; I200-P204 WeakPolarHBondContact O-CA 3.33Å; I200-I208 HydrophobicContact CD1-CD1 3.45Å; I200-I208 VanDerWaalsContact CD1-CD1 3.45Å; I200-I208 HydrophobicContact CD1-CG1 4.18Å; I200-I208 HydrophobicContact CG1-CD1 3.64Å; I200-I208 HydrophobicContact CG1-CG1 3.91Å; I200-Y243 HydrophobicContact CD1-CD1 3.7Å; I200-Y243 HydrophobicContact CD1-CE1 3.13Å; I200-Y243 HydrophobicContact CG2-CD1 4.44Å
201	R	60.4	Low	57.1	Low	147 Å²	147	58.1 Å²	58.1	56%	0.555	28%	0.275	S	S	*	.	H	α-helix	trans	-64.3	-40.6	176.3	-174.9	-179.4	174.6	-160.4	-1.9	112.3	Y197 M199	Y197-R201 VanDerWaalsContact O-CB 3.3Å; Y197-R201 WeakPolarHBondContact O-CB 3.47Å; Y197-R201 PolarHBondContact O-N 2.83Å; M199-R201 VanDerWaalsContact C-N 3.26Å; M199-R201 PolarHBondContact O-N 1.99Å
202	K	55.3	Low	55.6	Low	126 Å²	126	59.3 Å²	59.3	55%	0.548	28%	0.279	S	S	.	.	H	α-helix	trans	-76.1	-31.8	178.1	-78.4	171.5	174.5	158.8	0	112.4	E198 M199	E198-K202 WeakPolarHBondContact O-CB 3.38Å; E198-K202 WeakPolarHBondContact O-CG 3.43Å; E198-K202 PolarHBondContact O-N 3.1Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.86Å; E198-K202 PolarHBondContact OE2-NZ 2.82Å; M199-K202 PolarHBondContact O-N 2.78Å
203	F	52.8	Low	54.2	Low	118 Å²	118	61.3 Å²	61.3	52%	0.518	29%	0.287	S	S	.	.			trans	-138.6	79.7	-173.5	-52.4	-76.2	0	0	0	110.9	M199 I200 N205 V206	M199-F203 HydrophobicContact CG-CD2 4.37Å; M199-F203 PolarHBondContact O-N 2.86Å; I200-F203 CarbonylContact O-C 3.56Å; I200-F203 VanDerWaalsContact O-C 3.29Å; I200-F203 PolarHBondContact O-N 3.22Å; F203-N205 PolarHBondContact O-N 3.47Å; F203-N205 VanDerWaalsContact O-N 3.1Å; F203-V206 HydrophobicContact CB-CB 3.74Å; F203-V206 HydrophobicContact CB-CG2 3.28Å; F203-V206 HydrophobicContact CG-CG2 3.96Å; F203-V206 WeakPolarHBondContact O-CB 3.34Å; F203-V206 PolarHBondContact O-N 3.34Å; F203-V206 VanDerWaalsContact O-N 3.07Å
204	P	47.2	Very low	52.4	Low	34 Å²	34	64.5 Å²	64.5	22%	0.221	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.8	-174.6	22.7	-32.5	0	0	0	113.9	I200 N549	I200-P204 WeakPolarHBondContact O-CA 3.33Å; P204-N549 HydrophobicContact CB-CB 3.96Å
205	N	45.6	Very low	50.8	Low	117 Å²	117	63.1 Å²	63.1	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.1	179.7	-61.6	-27.6	0	0	0	113.4	F203 D207	F203-N205 PolarHBondContact O-N 3.47Å; F203-N205 VanDerWaalsContact O-N 3.1Å; N205-D207 PolarHBondContact O-N 3.44Å
206	V	50.6	Low	49.5	Very low	53 Å²	53	67.7 Å²	67.7	32%	0.321	33%	0.334	S	S	.	.			trans	-75	129	-178.2	155.9	0	0	0	0	110.4	F203 I208 L211	F203-V206 HydrophobicContact CB-CB 3.74Å; F203-V206 HydrophobicContact CB-CG2 3.28Å; F203-V206 HydrophobicContact CG-CG2 3.96Å; F203-V206 WeakPolarHBondContact O-CB 3.34Å; F203-V206 PolarHBondContact O-N 3.34Å; F203-V206 VanDerWaalsContact O-N 3.07Å; V206-I208 VanDerWaalsContact C-N 3.32Å; V206-I208 PolarHBondContact O-N 3.13Å; V206-L211 HydrophobicContact CG1-CD1 3.2Å; V206-L211 HydrophobicContact CG1-CG 4.49Å
207	D	47.3	Very low	48.1	Very low	80 Å²	80	70.7 Å²	70.7	43%	0.428	35%	0.35	S	S	.	.			trans	-69.9	91.9	169.3	-176.2	5.7	0	0	0	109.2	N205 H209 K210	N205-D207 PolarHBondContact O-N 3.44Å; D207-H209 PolarHBondContact O-N 2.95Å; D207-H209 WeakPolarHBondContact OD1-CB 3.27Å; D207-H209 IonicContact OD1-CD2 3.18Å; D207-H209 PolarHBondContact OD1-CD2 2.99Å; D207-H209 VanDerWaalsContact OD1-CD2 3.25Å; D207-H209 IonicContact OD1-CG 2.85Å; D207-H209 PolarHBondContact OD1-N 2.88Å; D207-K210 PolarHBondContact O-N 3.44Å; D207-K210 VanDerWaalsContact O-N 3.07Å
208	I	46.6	Very low	46.8	Very low	20 Å²	20	72.5 Å²	72.5	10%	0.103	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-50.4	-29.5	-177.7	-65.1	155.1	0	0	0	111.7	L196 I200 V206 K210 L211 Y212	L196-I208 HydrophobicContact CD1-CB 4.39Å; L196-I208 HydrophobicContact CD1-CD1 4.41Å; L196-I208 HydrophobicContact CD1-CG1 4.21Å; L196-I208 HydrophobicContact CD1-CG2 3.31Å; I200-I208 HydrophobicContact CD1-CD1 3.45Å; I200-I208 VanDerWaalsContact CD1-CD1 3.45Å; I200-I208 HydrophobicContact CD1-CG1 4.18Å; I200-I208 HydrophobicContact CG1-CD1 3.64Å; I200-I208 HydrophobicContact CG1-CG1 3.91Å; V206-I208 VanDerWaalsContact C-N 3.32Å; V206-I208 PolarHBondContact O-N 3.13Å; I208-K210 VanDerWaalsContact C-N 3.25Å; I208-K210 PolarHBondContact O-N 3.38Å; I208-L211 PolarHBondContact O-N 3.39Å; I208-Y212 HydrophobicContact CG2-CD2 4.07Å; I208-Y212 HydrophobicContact CG2-CE2 3.6Å
209	H	43.7	Very low	45.8	Very low	47 Å²	47	69.8 Å²	69.8	22%	0.218	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.8	-32.2	-178.9	-66.7	-66.2	0	0	0	113.1	D207 L211 E286 R336	D207-H209 PolarHBondContact O-N 2.95Å; D207-H209 WeakPolarHBondContact OD1-CB 3.27Å; D207-H209 IonicContact OD1-CD2 3.18Å; D207-H209 PolarHBondContact OD1-CD2 2.99Å; D207-H209 VanDerWaalsContact OD1-CD2 3.25Å; D207-H209 IonicContact OD1-CG 2.85Å; D207-H209 PolarHBondContact OD1-N 2.88Å; H209-L211 VanDerWaalsContact C-N 3.26Å; H209-L211 PolarHBondContact O-N 2.8Å; H209-E286 IonicContact CE1-OE1 3.07Å; H209-E286 PolarHBondContact CE1-OE1 3.27Å; H209-E286 IonicContact ND1-OE1 3.19Å; H209-R336 PolarHBondContact CE1-NH1 3.47Å; H209-R336 PolarHBondContact CE1-NH2 2.86Å; H209-R336 PolarHBondContact NE2-NH1 3.32Å; H209-R336 PolarHBondContact NE2-NH2 3.14Å
210	K	45	Very low	45.1	Very low	120 Å²	120	69.6 Å²	69.6	52%	0.522	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-73.4	-15.9	-179.3	-68.2	-176.2	-178.2	177	0	113.9	D207 I208	D207-K210 PolarHBondContact O-N 3.44Å; D207-K210 VanDerWaalsContact O-N 3.07Å; I208-K210 VanDerWaalsContact C-N 3.25Å; I208-K210 PolarHBondContact O-N 3.38Å
211	L	42.3	Very low	44.2	Very low	36 Å²	36	74.1 Å²	74.1	19%	0.188	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-27.8	-168.7	-72.7	150.1	0	0	0	113.7	M199 V206 I208 H209 H213 N214 I217 L219	M199-L211 HydrophobicContact CG-CD1 4.39Å; M199-L211 HydrophobicContact SD-CB 4.13Å; M199-L211 HydrophobicContact SD-CD1 3.25Å; M199-L211 WeakPolarHBondContact SD-CD1 3.4Å; M199-L211 HydrophobicContact SD-CD2 3.81Å; M199-L211 HydrophobicContact SD-CG 3.9Å; V206-L211 HydrophobicContact CG1-CD1 3.2Å; V206-L211 HydrophobicContact CG1-CG 4.49Å; I208-L211 PolarHBondContact O-N 3.39Å; H209-L211 VanDerWaalsContact C-N 3.26Å; H209-L211 PolarHBondContact O-N 2.8Å; L211-H213 PolarHBondContact O-N 3.4Å; L211-H213 VanDerWaalsContact O-N 3.17Å; L211-N214 PolarHBondContact O-N 3.29Å; L211-N214 VanDerWaalsContact O-N 3.14Å; L211-I217 HydrophobicContact CD2-CD1 4.41Å; L211-L219 HydrophobicContact CB-CD1 3.84Å
212	Y	43	Very low	43.5	Very low	38 Å²	38	69.6 Å²	69.6	15%	0.149	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16	175.9	-81.1	-78.5	0	0	0	113.7	L196 I208 L219 H247 R334	L196-Y212 HydrophobicContact CD1-CE2 4.03Å; I208-Y212 HydrophobicContact CG2-CD2 4.07Å; I208-Y212 HydrophobicContact CG2-CE2 3.6Å; Y212-L219 HydrophobicContact CD1-CB 3.79Å; Y212-L219 HydrophobicContact CD1-CD1 4.18Å; Y212-L219 HydrophobicContact CD2-CD1 4.43Å; Y212-L219 HydrophobicContact CE1-CB 3.6Å; Y212-L219 HydrophobicContact CE1-CD1 4.27Å; Y212-L219 HydrophobicContact CG-CD1 4.26Å; Y212-H247 PolarHBondContact OH-ND1 2.75Å; Y212-R334 VanDerWaalsContact CD1-NH1 3.26Å; Y212-R334 PolarHBondContact OH-NH2 2.71Å
213	H	40.5	Very low	43.1	Very low	81 Å²	81	64.4 Å²	64.4	38%	0.375	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.3	177.1	-68.5	-71.5	0	0	0	114.1	L211 S215	L211-H213 PolarHBondContact O-N 3.4Å; L211-H213 VanDerWaalsContact O-N 3.17Å; H213-S215 PolarHBondContact O-N 3.19Å
214	N	35.7	Very low	42.7	Very low	71 Å²	71	63.2 Å²	63.2	38%	0.38	34%	0.343	S	S	.	.			trans	-88.7	108.4	179.6	-162.1	-11	0	0	0	110.6	L211 V216 I217	L211-N214 PolarHBondContact O-N 3.29Å; L211-N214 VanDerWaalsContact O-N 3.14Å; N214-V216 PolarHBondContact O-N 3.23Å; N214-V216 PolarHBondContact OD1-N 3.35Å; N214-I217 CarbonylContact O-C 3.52Å; N214-I217 PolarHBondContact O-N 3.39Å
215	S	33.7	Very low	42.4	Very low	62 Å²	62	68 Å²	68	43%	0.434	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.1	-178.4	53.5	0	0	0	0	115.3	H213 I217 Y322	H213-S215 PolarHBondContact O-N 3.19Å; S215-I217 VanDerWaalsContact C-N 3.31Å; S215-Y322 WeakPolarHBondContact CB-OH 3.37Å; S215-Y322 VanDerWaalsContact OG-CE1 3.28Å; S215-Y322 WeakPolarHBondContact OG-CE1 3.48Å; S215-Y322 PolarHBondContact OG-OH 2.96Å; S215-Y322 VanDerWaalsContact OG-OH 3.11Å
216	V	35.3	Very low	42.3	Very low	126 Å²	126	71.1 Å²	71.1	76%	0.764	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.4	175	-171.1	0	0	0	0	111.4	N214	N214-V216 PolarHBondContact O-N 3.23Å; N214-V216 PolarHBondContact OD1-N 3.35Å
217	I	36.1	Very low	42.4	Very low	66 Å²	66	72.4 Å²	72.4	34%	0.338	37%	0.373	S	S	.	.	S	Bend	trans	-116.9	91.6	-177.7	-45.7	178.6	0	0	0	108.1	M199 L211 N214 S215 L219	M199-I217 HydrophobicContact CE-CG2 4.13Å; L211-I217 HydrophobicContact CD2-CD1 4.41Å; N214-I217 CarbonylContact O-C 3.52Å; N214-I217 PolarHBondContact O-N 3.39Å; S215-I217 VanDerWaalsContact C-N 3.31Å; I217-L219 HydrophobicContact CG2-CD1 4.47Å; I217-L219 HydrophobicContact CG2-CD2 4.21Å; I217-L219 HydrophobicContact CG2-CG 3.81Å; I217-L219 PolarHBondContact O-N 2.85Å
218	S	37.8	Very low	43.1	Very low	67 Å²	67	76.5 Å²	76.5	47%	0.469	39%	0.387	S	S	.	.			trans	-67.1	77.4	169.3	178.8	0	0	0	0	109.9	S220	S218-S220 PolarHBondContact O-N 2.9Å
219	L	41.4	Very low	44	Very low	4 Å²	4	78 Å²	78	2%	0.021	40%	0.395	C	S	.	.			trans	-69.8	-12.9	170.8	-77.6	167.6	0	0	0	111.8	P195 M199 L211 Y212 I217	P195-L219 HydrophobicContact CB-CD2 3.33Å; P195-L219 HydrophobicContact CB-CG 4.48Å; M199-L219 HydrophobicContact CE-CD1 4.07Å; M199-L219 HydrophobicContact CE-CD2 3.54Å; M199-L219 HydrophobicContact CE-CG 4.18Å; L211-L219 HydrophobicContact CB-CD1 3.84Å; Y212-L219 HydrophobicContact CD1-CB 3.79Å; Y212-L219 HydrophobicContact CD1-CD1 4.18Å; Y212-L219 HydrophobicContact CD2-CD1 4.43Å; Y212-L219 HydrophobicContact CE1-CB 3.6Å; Y212-L219 HydrophobicContact CE1-CD1 4.27Å; Y212-L219 HydrophobicContact CG-CD1 4.26Å; I217-L219 HydrophobicContact CG2-CD1 4.47Å; I217-L219 HydrophobicContact CG2-CD2 4.21Å; I217-L219 HydrophobicContact CG2-CG 3.81Å; I217-L219 PolarHBondContact O-N 2.85Å
220	S	43.4	Very low	45.3	Very low	31 Å²	31	77 Å²	77	22%	0.217	39%	0.39	C	S	.	.			trans	-99.4	43	179.2	60.6	0	0	0	0	111	S218 P222	S218-S220 PolarHBondContact O-N 2.9Å; S220-P222 WeakPolarHBondContact O-CD 3Å
221	Q	45.4	Very low	46.9	Very low	113 Å²	113	79.1 Å²	79.1	53%	0.528	40%	0.4	S	S	.	.			trans	-70.7	112.5	169	-81	-169.7	-12.4	0	0	107.9	N192	N192-Q221 WeakPolarHBondContact CB-O 3.25Å
222	P	45.2	Very low	48.7	Very low	51 Å²	51	78 Å²	78	33%	0.331	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-72.4	161.9	-177.3	33.9	-36	0	0	0	110.5	C177 S220 N224	C177-P222 HydrophobicContact CB-CB 3.5Å; C177-P222 VanDerWaalsContact CB-CB 3.5Å; S220-P222 WeakPolarHBondContact O-CD 3Å; P222-N224 PolarHBondContact O-N 3.37Å
223	F	46.8	Very low	50.6	Low	17 Å²	17	81.5 Å²	81.5	8%	0.075	42%	0.415	C	S	.	.			trans	-45	123.3	175.5	-126.5	-122.5	0	0	0	111.3	H225 Q227 I230 Q362	F223-H225 PolarHBondContact O-N 3.31Å; F223-Q227 WeakPolarHBondContact CD1-O 3.34Å; F223-Q227 WeakPolarHBondContact CE1-O 2.92Å; F223-Q227 WeakPolarHBondContact CZ-O 3.46Å; F223-I230 HydrophobicContact CD2-CD1 3.8Å; F223-I230 HydrophobicContact CD2-CG1 4.33Å; F223-I230 HydrophobicContact CE2-CD1 3.43Å; F223-I230 VanDerWaalsContact CE2-CD1 3.43Å; F223-I230 HydrophobicContact CE2-CG1 3.64Å; F223-I230 HydrophobicContact CZ-CD1 4.37Å; F223-I230 HydrophobicContact CZ-CG1 4.1Å; F223-Q362 HydrophobicContact CD1-CG 4.33Å; F223-Q362 HydrophobicContact CE1-CB 4.25Å; F223-Q362 HydrophobicContact CE1-CG 4.03Å; F223-Q362 HydrophobicContact CZ-CB 4.24Å
224	N	43.3	Very low	52.7	Low	94 Å²	94	77.7 Å²	77.7	50%	0.503	40%	0.397	S	S	.	.			trans	-72.3	123.7	170.5	-156.4	-2.2	0	0	0	108	P222 K226 Q227	P222-N224 PolarHBondContact O-N 3.37Å; N224-K226 PolarHBondContact O-N 3.22Å; N224-Q227 PolarHBondContact O-N 3.12Å
225	H	42.2	Very low	55.1	Low	133 Å²	133	77.2 Å²	77.2	62%	0.616	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-12	-165.9	39.1	-85.5	0	0	0	117.8	D176 F223	D176-H225 IonicContact OD1-ND1 2.89Å; F223-H225 PolarHBondContact O-N 3.31Å
226	K	43.3	Very low	57.7	Low	183 Å²	183	75.4 Å²	75.4	80%	0.796	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-18.3	176.3	-66.6	-173.8	-178.9	179.5	0	114.3	N224 K228	N224-K226 PolarHBondContact O-N 3.22Å; K226-K228 PolarHBondContact O-N 3.26Å
227	Q	51.6	Low	60	Low	81 Å²	81	72.5 Å²	72.5	38%	0.379	36%	0.359	S	S	.	.			trans	-103.3	86.5	-169.7	-70.9	176.4	-15.8	0	0	109.6	D119 F223 N224 L229	D119-Q227 PolarHBondContact OD1-NE2 2.89Å; F223-Q227 WeakPolarHBondContact CD1-O 3.34Å; F223-Q227 WeakPolarHBondContact CE1-O 2.92Å; F223-Q227 WeakPolarHBondContact CZ-O 3.46Å; N224-Q227 PolarHBondContact O-N 3.12Å; Q227-L229 PolarHBondContact O-N 2.8Å
228	K	62	Low	62.4	Low	165 Å²	165	70.1 Å²	70.1	72%	0.717	35%	0.347	S	S	*	.	S	Bend	trans	-58	-11.3	172.5	-73.1	-175.7	178.1	-178.5	0	114.2	K226 M363	K226-K228 PolarHBondContact O-N 3.26Å; K228-M363 PolarHBondContact O-N 3.39Å
229	L	66.8	Low	64.7	Low	53 Å²	53	67 Å²	67	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	123.6	-168.5	172.7	62.6	0	0	0	109.6	Q227 K231 M363	Q227-L229 PolarHBondContact O-N 2.8Å; L229-K231 HydrophobicContact CD1-CG 4.46Å; L229-K231 HydrophobicContact CD2-CD 4.38Å; L229-K231 HydrophobicContact CD2-CG 4.13Å; L229-K231 HydrophobicContact CG-CG 4.07Å; L229-M363 WeakPolarHBondContact CA-O 3.39Å; L229-M363 HydrophobicContact CB-CE 4.04Å; L229-M363 HydrophobicContact CB-CG 4.37Å; L229-M363 HydrophobicContact CD1-CE 3.92Å; L229-M363 HydrophobicContact CD1-CG 3.76Å; L229-M363 HydrophobicContact CD1-SD 4.04Å; L229-M363 HydrophobicContact CD2-CE 4.2Å; L229-M363 HydrophobicContact CG-CE 4.26Å
230	I	70.9	Confident	66.8	Low	24 Å²	24	67.6 Å²	67.6	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.3	165.7	-63.3	177.1	0	0	0	108	N192 F223 M232 M363 I364 S365	N192-I230 HydrophobicContact CB-CD1 4.45Å; F223-I230 HydrophobicContact CD2-CD1 3.8Å; F223-I230 HydrophobicContact CD2-CG1 4.33Å; F223-I230 HydrophobicContact CE2-CD1 3.43Å; F223-I230 VanDerWaalsContact CE2-CD1 3.43Å; F223-I230 HydrophobicContact CE2-CG1 3.64Å; F223-I230 HydrophobicContact CZ-CD1 4.37Å; F223-I230 HydrophobicContact CZ-CG1 4.1Å; I230-M232 HydrophobicContact CG2-CG 4.12Å; I230-M363 PolarHBondContact N-O 3.5Å; I230-I364 HydrophobicContact CB-CG1 4.39Å; I230-I364 HydrophobicContact CB-CG2 4.28Å; I230-I364 HydrophobicContact CG2-CG2 4.37Å; I230-S365 PolarHBondContact O-N 3.27Å
231	K	77.6	Confident	68.8	Low	165 Å²	165	66.8 Å²	66.8	72%	0.717	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.9	173.1	-66.9	-176.9	-178.3	176.5	0	110.1	L229 S365	L229-K231 HydrophobicContact CD1-CG 4.46Å; L229-K231 HydrophobicContact CD2-CD 4.38Å; L229-K231 HydrophobicContact CD2-CG 4.13Å; L229-K231 HydrophobicContact CG-CG 4.07Å; K231-S365 CarbonylContact C-O 3.49Å; K231-S365 VanDerWaalsContact CA-O 3.31Å; K231-S365 WeakPolarHBondContact CA-O 3.47Å
232	M	80.4	Confident	70.9	Confident	12 Å²	12	61.4 Å²	61.4	6%	0.059	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.6	175.5	-68.2	-166.8	68.5	0	0	110.4	P193 Y194 Y197 I230 L234 S365 Y366 H367	P193-M232 HydrophobicContact CB-SD 4.05Å; P193-M232 HydrophobicContact CG-SD 3.48Å; P193-M232 WeakPolarHBondContact CG-SD 3.45Å; Y194-M232 HydrophobicContact CD2-CE 3.89Å; Y197-M232 HydrophobicContact CD1-CE 3.68Å; Y197-M232 HydrophobicContact CE1-CE 4.47Å; Y197-M232 HydrophobicContact CG-CE 3.72Å; I230-M232 HydrophobicContact CG2-CG 4.12Å; M232-L234 HydrophobicContact CB-CD2 4.28Å; M232-L234 HydrophobicContact CE-CD2 4.12Å; M232-S365 PolarHBondContact N-O 2.82Å; M232-Y366 HydrophobicContact CB-CD1 3.73Å; M232-Y366 HydrophobicContact CB-CE1 4Å; M232-Y366 HydrophobicContact CG-CD1 4.39Å; M232-Y366 HydrophobicContact CG-CE1 4.16Å; M232-Y366 CarbonylContact O-C 3.29Å; M232-Y366 WeakPolarHBondContact O-CA 3.36Å; M232-Y366 HydrophobicContact SD-CD1 4.24Å; M232-Y366 HydrophobicContact SD-CE1 3.52Å; M232-Y366 VanDerWaalsContact SD-CE1 3.52Å; M232-H367 PolarHBondContact O-N 3.41Å
233	L	82.8	Confident	72.8	Confident	113 Å²	113	59.5 Å²	59.5	59%	0.592	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	174.2	-178.6	68.7	0	0	0	109.4	H367 I369	L233-H367 HydrophobicContact CD1-CB 3.91Å; L233-H367 WeakPolarHBondContact CD1-ND1 3.27Å; L233-I369 HydrophobicContact CD1-CD1 3.69Å; L233-I369 HydrophobicContact CD1-CG1 4.19Å
234	L	85.9	Confident	74.9	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	-179.3	-49.6	-170.5	0	0	0	110.2	Y197 M232 Y236 L244 Y366 H367 I369	Y197-L234 HydrophobicContact CD1-CD2 4.14Å; Y197-L234 HydrophobicContact CD2-CD1 4.3Å; Y197-L234 HydrophobicContact CD2-CD2 4.03Å; Y197-L234 HydrophobicContact CE1-CD2 3.59Å; Y197-L234 HydrophobicContact CE2-CD1 3.84Å; Y197-L234 HydrophobicContact CE2-CD2 3.49Å; Y197-L234 VanDerWaalsContact CE2-CD2 3.49Å; Y197-L234 HydrophobicContact CE2-CG 4.21Å; Y197-L234 HydrophobicContact CG-CD2 4.34Å; Y197-L234 WeakPolarHBondContact OH-CD2 3Å; M232-L234 HydrophobicContact CB-CD2 4.28Å; M232-L234 HydrophobicContact CE-CD2 4.12Å; L234-Y236 HydrophobicContact CB-CD2 4.49Å; L234-Y236 HydrophobicContact CB-CE2 3.72Å; L234-Y236 HydrophobicContact CD1-CE2 4.29Å; L234-L244 HydrophobicContact CD1-CD2 3.34Å; L234-Y366 HydrophobicContact CD1-CD1 3.77Å; L234-Y366 HydrophobicContact CD1-CE1 4.37Å; L234-Y366 HydrophobicContact CG-CD1 4.24Å; L234-H367 PolarHBondContact N-O 3.19Å; L234-I369 PolarHBondContact O-N 3.16Å
235	T	86.2	Confident	76.9	Confident	61 Å²	61	54.3 Å²	54.3	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.6	-179	57.3	0	0	0	0	110.1	I369	T235-I369 CarbonylContact C-O 3.58Å; T235-I369 VanDerWaalsContact CA-O 3.29Å; T235-I369 WeakPolarHBondContact CA-O 3.28Å; T235-I369 HydrophobicContact CG2-CB 4.33Å
236	Y	86.8	Confident	79	Confident	23 Å²	23	48 Å²	48	9%	0.09	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.6	179.7	-63.5	-82.2	0	0	0	111.3	L234 E240 A242 Y243 V368 I369 V370 N371	L234-Y236 HydrophobicContact CB-CD2 4.49Å; L234-Y236 HydrophobicContact CB-CE2 3.72Å; L234-Y236 HydrophobicContact CD1-CE2 4.29Å; Y236-E240 WeakPolarHBondContact CA-OE2 3.48Å; Y236-E240 HydrophobicContact CD1-CB 4.37Å; Y236-A242 HydrophobicContact CD1-CB 4.48Å; Y236-A242 HydrophobicContact CD2-CB 4.14Å; Y236-A242 HydrophobicContact CE1-CB 4.11Å; Y236-A242 HydrophobicContact CE2-CB 3.73Å; Y236-A242 HydrophobicContact CG-CB 4.49Å; Y236-Y243 PolarHBondContact OH-N 2.45Å; Y236-Y243 PolarHBondContact OH-O 2.95Å; Y236-V368 HydrophobicContact CD2-CG1 3.84Å; Y236-V368 HydrophobicContact CE2-CG1 4.05Å; Y236-I369 PolarHBondContact N-O 3.21Å; Y236-V370 WeakPolarHBondContact O-CA 3.49Å; Y236-N371 PolarHBondContact O-N 2.94Å
237	E	84.3	Confident	80.8	Confident	65 Å²	65	39.5 Å²	39.5	30%	0.304	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	150.3	162.2	-68.6	-170	173.2	0	0	110.7	G239 E240 R376	E237-G239 PolarHBondContact O-N 2.83Å; E237-E240 HydrophobicContact CB-CG 4.12Å; E237-E240 PolarHBondContact N-OE2 3.29Å; E237-E240 VanDerWaalsContact O-CB 3.3Å; E237-E240 WeakPolarHBondContact O-CB 2.93Å; E237-E240 VanDerWaalsContact O-CG 3.32Å; E237-E240 WeakPolarHBondContact O-CG 3.25Å; E237-E240 PolarHBondContact O-N 2.93Å; E237-E240 VanDerWaalsContact O-N 3.08Å; E237-R376 IonicContact OE2-NH2 3.18Å; E237-R376 PolarHBondContact OE2-NH2 2.75Å
238	T	87.3	Confident	82.1	Confident	17 Å²	17	35.7 Å²	35.7	10%	0.104	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	133.2	172.9	-61.1	0	0	0	0	111.2	I344 P346 N371	T238-I344 CarbonylContact C-O 3.59Å; T238-I344 WeakPolarHBondContact CA-O 3.34Å; T238-P346 WeakPolarHBondContact OG1-CD 3.24Å; T238-N371 PolarHBondContact N-O 3.06Å; T238-N371 PolarHBondContact OG1-O 2.74Å
239	G	84.8	Confident	82.7	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-3.2	-178.1	0	0	0	0	0	115.5	E237 I344 R543	E237-G239 PolarHBondContact O-N 2.83Å; G239-I344 PolarHBondContact N-O 3.07Å; G239-R543 VanDerWaalsContact O-CD 3.31Å; G239-R543 WeakPolarHBondContact O-CD 3.47Å; G239-R543 WeakPolarHBondContact O-CG 3.25Å; G239-R543 PolarHBondContact O-NE 2.95Å
240	E	84.9	Confident	82.7	Confident	17 Å²	17	26.4 Å²	26.4	8%	0.079	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-73.5	163.9	170.7	-66.5	-172.4	149.6	0	0	112	Y236 E237 F343 I344 F551	Y236-E240 WeakPolarHBondContact CA-OE2 3.48Å; Y236-E240 HydrophobicContact CD1-CB 4.37Å; E237-E240 HydrophobicContact CB-CG 4.12Å; E237-E240 PolarHBondContact N-OE2 3.29Å; E237-E240 VanDerWaalsContact O-CB 3.3Å; E237-E240 WeakPolarHBondContact O-CB 2.93Å; E237-E240 VanDerWaalsContact O-CG 3.32Å; E237-E240 WeakPolarHBondContact O-CG 3.25Å; E237-E240 PolarHBondContact O-N 2.93Å; E237-E240 VanDerWaalsContact O-N 3.08Å; E240-F343 CarbonylContact O-C 3.52Å; E240-F343 WeakPolarHBondContact O-CA 3.49Å; E240-F343 PolarHBondContact O-N 3.05Å; E240-I344 HydrophobicContact CB-CG2 4.46Å; E240-I344 WeakPolarHBondContact O-CG2 3.39Å; E240-I344 PolarHBondContact O-N 2.89Å; E240-F551 WeakPolarHBondContact OE1-CE2 3.48Å; E240-F551 VanDerWaalsContact OE1-CZ 3.26Å; E240-F551 WeakPolarHBondContact OE1-CZ 3.42Å
241	N	86.8	Confident	82.5	Confident	13 Å²	13	25.5 Å²	25.5	7%	0.07	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-94.5	123.3	170.6	-55.8	-43.3	0	0	0	108.5	I341 D342 F343 K544 Y546	N241-I341 CarbonylContact C-O 3.53Å; N241-I341 WeakPolarHBondContact CA-O 3.26Å; N241-D342 WeakPolarHBondContact OD1-CA 2.9Å; N241-F343 PolarHBondContact OD1-N 2.72Å; N241-F343 VanDerWaalsContact OD1-N 3.15Å; N241-K544 PolarHBondContact ND2-O 2.76Å; N241-Y546 PolarHBondContact ND2-N 3.14Å; N241-Y546 VanDerWaalsContact ND2-N 3.19Å
242	A	88.2	Confident	81.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.3	171.3	0	0	0	0	0	109.8	Y236 I340 I341 I344	Y236-A242 HydrophobicContact CD1-CB 4.48Å; Y236-A242 HydrophobicContact CD2-CB 4.14Å; Y236-A242 HydrophobicContact CE1-CB 4.11Å; Y236-A242 HydrophobicContact CE2-CB 3.73Å; Y236-A242 HydrophobicContact CG-CB 4.49Å; A242-I340 WeakPolarHBondContact O-CA 3.49Å; A242-I341 HydrophobicContact CB-CB 4.15Å; A242-I341 HydrophobicContact CB-CD1 4.44Å; A242-I341 HydrophobicContact CB-CG1 4.49Å; A242-I341 PolarHBondContact N-O 3.45Å; A242-I341 PolarHBondContact O-N 2.64Å; A242-I344 HydrophobicContact CB-CD1 3.76Å
243	Y	86.5	Confident	80.9	Confident	12 Å²	12	27 Å²	27	5%	0.047	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.9	176.9	173.4	-90.5	0	0	0	108.2	I200 Y236 P245 D338 I340 Y546	I200-Y243 HydrophobicContact CD1-CD1 3.7Å; I200-Y243 HydrophobicContact CD1-CE1 3.13Å; I200-Y243 HydrophobicContact CG2-CD1 4.44Å; Y236-Y243 PolarHBondContact OH-N 2.45Å; Y236-Y243 PolarHBondContact OH-O 2.95Å; Y243-P245 HydrophobicContact CE1-CB 3.74Å; Y243-P245 HydrophobicContact CE1-CG 4Å; Y243-D338 HydrophobicContact CE2-CB 3.7Å; Y243-D338 PolarHBondContact OH-OD2 3.08Å; Y243-I340 HydrophobicContact CD2-CG1 4.04Å; Y243-Y546 HydrophobicContact CD2-CE1 4.36Å; Y243-Y546 AromaticContact CD2-CE2 3.9Å; Y243-Y546 HydrophobicContact CD2-CE2 3.9Å; Y243-Y546 AromaticContact CD2-CZ 3.76Å; Y243-Y546 HydrophobicContact CG-CE2 4.21Å
244	L	89.5	Confident	80	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	97.2	-174.4	-55.3	172.8	0	0	0	108.2	L234 W259 L339 I341 Y352 Y366 V368	L234-L244 HydrophobicContact CD1-CD2 3.34Å; L244-W259 HydrophobicContact CB-CH2 3.62Å; L244-W259 HydrophobicContact CB-CZ2 4.42Å; L244-W259 HydrophobicContact CB-CZ3 4.19Å; L244-W259 HydrophobicContact CD1-CZ3 4.25Å; L244-W259 WeakPolarHBondContact O-CZ2 3.43Å; L244-L339 HydrophobicContact CB-CB 4.17Å; L244-L339 HydrophobicContact CD1-CB 4.39Å; L244-L339 HydrophobicContact CD1-CD2 3.84Å; L244-L339 HydrophobicContact CD1-CG 4.2Å; L244-L339 PolarHBondContact N-O 3.21Å; L244-L339 PolarHBondContact O-N 3.03Å; L244-I341 HydrophobicContact CD1-CD1 4.39Å; L244-Y352 HydrophobicContact CD1-CD1 4.32Å; L244-Y352 HydrophobicContact CD1-CD2 4.32Å; L244-Y352 HydrophobicContact CD1-CG 3.91Å; L244-Y366 HydrophobicContact CB-CD2 4.27Å; L244-Y366 HydrophobicContact CB-CE2 4.31Å; L244-Y366 HydrophobicContact CD2-CD1 3.92Å; L244-Y366 HydrophobicContact CD2-CD2 4.39Å; L244-Y366 HydrophobicContact CD2-CG 3.83Å; L244-V368 HydrophobicContact CD1-CG2 4.37Å; L244-V368 HydrophobicContact CD2-CG2 3.88Å
245	P	85.3	Confident	79.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.142	C	C	.	.			trans	-70	140.4	-174.3	23.2	-29.6	0	0	0	112.2	P193 L196 Y243 D338 Y366	P193-P245 HydrophobicContact CB-CB 4.47Å; P193-P245 HydrophobicContact CB-CG 3.84Å; L196-P245 HydrophobicContact CD2-CB 3.46Å; L196-P245 VanDerWaalsContact CD2-CB 3.46Å; L196-P245 HydrophobicContact CD2-CG 4.1Å; L196-P245 HydrophobicContact CG-CB 4.47Å; Y243-P245 HydrophobicContact CE1-CB 3.74Å; Y243-P245 HydrophobicContact CE1-CG 4Å; P245-D338 VanDerWaalsContact CA-OD1 3.28Å; P245-D338 WeakPolarHBondContact CA-OD1 3.45Å; P245-Y366 PolarHBondContact O-OH 3.4Å
246	C	86.3	Confident	79	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.			trans	-146.7	109.6	167.7	-168.2	0	0	0	0	109	W259 W337 D338 C354	C246-W259 HydrophobicContact CB-CH2 4.33Å; C246-W259 HydrophobicContact CB-CZ2 3.5Å; C246-W337 HydrophobicContact CB-CB 4.4Å; C246-W337 CarbonylContact O-C 3.53Å; C246-W337 WeakPolarHBondContact O-CA 3.4Å; C246-W337 WeakPolarHBondContact O-CB 3.29Å; C246-W337 PolarHBondContact O-N 2.62Å; C246-D338 PolarHBondContact N-OD1 3.13Å; C246-C354 HydrophobicContact CB-CB 3.75Å; C246-C354 WeakPolarHBondContact CB-SG 3.35Å; C246-C354 WeakPolarHBondContact SG-CB 3.42Å; C246-C354 CovalentContact SG-SG 2.04Å; C246-C354 PolarHBondContact SG-SG 3.33Å
247	H	82.4	Confident	79	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.028	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.7	-175	-62.9	164.3	0	0	0	109.8	I190 L191 L196 Y212 R334 R336 D338	I190-H247 WeakPolarHBondContact CA-O 3.36Å; L191-H247 HydrophobicContact CB-CB 4.26Å; L191-H247 HydrophobicContact CD1-CB 4.01Å; L191-H247 HydrophobicContact CG-CB 4.4Å; L191-H247 PolarHBondContact N-O 3.16Å; L196-H247 WeakPolarHBondContact CD2-CE1 3.48Å; Y212-H247 PolarHBondContact OH-ND1 2.75Å; H247-R334 PolarHBondContact CE1-NH2 2.84Å; H247-R334 PolarHBondContact ND1-NH2 3.41Å; H247-R336 WeakPolarHBondContact NE2-CD 3.46Å; H247-R336 WeakPolarHBondContact NE2-CG 3.41Å; H247-D338 IonicContact CD2-OD1 3.98Å; H247-D338 PolarHBondContact CD2-OD1 2.77Å; H247-D338 IonicContact NE2-OD1 3.85Å; H247-D338 PolarHBondContact NE2-OD1 2.8Å; H247-D338 VanDerWaalsContact NE2-OD1 3.17Å; H247-D338 IonicContact NE2-OD2 2.71Å; H247-D338 PolarHBondContact NE2-OD2 3.34Å
248	T	78.4	Confident	79.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	177.6	57.2	0	0	0	0	111.9	C189 I190 I257 R334 R335 W337	C189-T248 CarbonylContact O-C 3.55Å; C189-T248 WeakPolarHBondContact O-CA 3.47Å; I190-T248 HydrophobicContact CG1-CG2 4.14Å; T248-I257 HydrophobicContact CG2-CD1 3.59Å; T248-I257 HydrophobicContact CG2-CG1 4.49Å; T248-R334 WeakPolarHBondContact O-CA 3.47Å; T248-R335 PolarHBondContact N-O 2.77Å; T248-R335 PolarHBondContact O-N 2.8Å; T248-R335 PolarHBondContact OG1-O 2.75Å; T248-W337 PolarHBondContact OG1-NE1 3.01Å
249	L	74.5	Confident	79.6	Confident	15 Å²	15	21.6 Å²	21.6	8%	0.079	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130	172.6	-169.8	71	0	0	0	108.9	P188 C189 L191 A251	P188-L249 WeakPolarHBondContact CA-O 3.34Å; C189-L249 PolarHBondContact N-O 3.27Å; C189-L249 VanDerWaalsContact N-O 3.11Å; C189-L249 PolarHBondContact O-N 3.18Å; L191-L249 HydrophobicContact CD2-CB 4.24Å; L249-A251 PolarHBondContact O-N 3.01Å
250	G	67.1	Low	80	Confident	8 Å²	8	23.7 Å²	23.7	8%	0.082	13%	0.131	C	C	.	.	S	Bend	trans	74.2	4.3	173.4	0	0	0	0	0	115.7	E252 K333	G250-E252 PolarHBondContact O-N 2.87Å; G250-K333 PolarHBondContact N-O 2.83Å; G250-K333 VanDerWaalsContact N-O 3.12Å
251	A	67.1	Low	80.4	Confident	6 Å²	6	24.6 Å²	24.6	5%	0.05	14%	0.135	C	C	.	.			trans	-70.9	113.5	174.3	0	0	0	0	0	110.8	P188 L249 E255	P188-A251 HydrophobicContact CB-CB 4.08Å; L249-A251 PolarHBondContact O-N 3.01Å; A251-E255 VanDerWaalsContact CA-OE2 3.3Å; A251-E255 WeakPolarHBondContact CA-OE2 3.48Å
252	E	63.7	Low	80.5	Confident	73 Å²	73	25.4 Å²	25.4	34%	0.341	15%	0.146	S	C	.	.			trans	-85.4	176.8	169.3	-59.5	-170.5	161.4	0	0	111.1	Q185 G250 S254 E255	Q185-E252 PolarHBondContact NE2-OE1 3.22Å; Q185-E252 PolarHBondContact NE2-OE2 3.45Å; G250-E252 PolarHBondContact O-N 2.87Å; E252-S254 PolarHBondContact O-N 3.16Å; E252-S254 VanDerWaalsContact O-N 3.1Å; E252-E255 WeakPolarHBondContact CA-OE2 3.16Å; E252-E255 PolarHBondContact N-OE2 3.39Å; E252-E255 PolarHBondContact O-N 2.78Å
253	D	61.2	Low	80.3	Confident	136 Å²	136	34 Å²	34	73%	0.727	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.1	-177.3	-57	-36.3	0	0	0	113.3	R335	D253-R335 IonicContact OD1-CZ 3.65Å; D253-R335 IonicContact OD1-NH1 3.53Å; D253-R335 PolarHBondContact OD1-NH1 3.18Å; D253-R335 IonicContact OD1-NH2 3.25Å
254	S	62.4	Low	80.5	Confident	79 Å²	79	38.9 Å²	38.9	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.1	176	67.9	0	0	0	0	113.9	E252	E252-S254 PolarHBondContact O-N 3.16Å; E252-S254 VanDerWaalsContact O-N 3.1Å
255	E	71.8	Confident	80.5	Confident	9 Å²	9	41.6 Å²	41.6	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-91	141.7	175.2	-64.9	100.9	-173.3	0	0	111.6	P188 A251 E252 L356 R359	P188-E255 HydrophobicContact CB-CG 4.32Å; P188-E255 VanDerWaalsContact CG-CD 3.49Å; P188-E255 HydrophobicContact CG-CG 3.69Å; P188-E255 WeakPolarHBondContact CG-OE1 3.35Å; A251-E255 VanDerWaalsContact CA-OE2 3.3Å; A251-E255 WeakPolarHBondContact CA-OE2 3.48Å; E252-E255 WeakPolarHBondContact CA-OE2 3.16Å; E252-E255 PolarHBondContact N-OE2 3.39Å; E252-E255 PolarHBondContact O-N 2.78Å; E255-L356 HydrophobicContact CB-CD1 3.81Å; E255-L356 HydrophobicContact CG-CD1 4.48Å; E255-R359 IonicContact OE1-NH1 3.68Å
256	T	79.9	Confident	80.9	Confident	51 Å²	51	41.6 Å²	41.6	31%	0.313	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.3	-175.4	-56.9	0	0	0	0	109.5	I258 V268 M357	T256-I258 HydrophobicContact CG2-CG1 3.99Å; T256-V268 HydrophobicContact CG2-CG1 3.33Å; T256-M357 PolarHBondContact N-O 2.85Å; T256-M357 PolarHBondContact O-N 2.83Å
257	I	87.3	Confident	81.1	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.6	169.3	-62.2	-60.7	0	0	0	108.5	T248 V268 S269 W337 M355 L356	T248-I257 HydrophobicContact CG2-CD1 3.59Å; T248-I257 HydrophobicContact CG2-CG1 4.49Å; I257-V268 CarbonylContact O-C 3.47Å; I257-V268 WeakPolarHBondContact O-CA 3.37Å; I257-S269 PolarHBondContact N-OG 3.18Å; I257-S269 PolarHBondContact O-N 2.82Å; I257-W337 HydrophobicContact CB-CD2 4.04Å; I257-W337 HydrophobicContact CB-CE3 4.24Å; I257-W337 HydrophobicContact CB-CG 4.33Å; I257-W337 HydrophobicContact CB-CZ2 4.49Å; I257-W337 HydrophobicContact CG1-CD2 3.76Å; I257-W337 VanDerWaalsContact CG1-CE2 3.5Å; I257-W337 HydrophobicContact CG1-CE3 4.41Å; I257-W337 HydrophobicContact CG1-CG 3.92Å; I257-W337 HydrophobicContact CG1-CZ2 3.89Å; I257-W337 HydrophobicContact CG2-CB 4.09Å; I257-W337 HydrophobicContact CG2-CD2 4.24Å; I257-W337 HydrophobicContact CG2-CE3 4.47Å; I257-W337 HydrophobicContact CG2-CG 4.11Å; I257-M355 CarbonylContact C-O 3.51Å; I257-M355 VanDerWaalsContact CA-O 3.28Å; I257-M355 WeakPolarHBondContact CA-O 3Å; I257-L356 HydrophobicContact CD1-CB 3.83Å; I257-L356 HydrophobicContact CD1-CD1 3.46Å; I257-L356 VanDerWaalsContact CD1-CD1 3.46Å; I257-L356 HydrophobicContact CD1-CG 4.22Å
258	I	89.2	Confident	81.3	Confident	22 Å²	22	44 Å²	44	11%	0.113	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.4	177	-51.9	-178.1	0	0	0	108.3	T256 E260 F267 V268 C354 M355 M357	T256-I258 HydrophobicContact CG2-CG1 3.99Å; I258-E260 HydrophobicContact CG2-CG 3.59Å; I258-F267 WeakPolarHBondContact CA-O 3.5Å; I258-V268 HydrophobicContact CG1-CG1 4.38Å; I258-V268 HydrophobicContact CG1-CG2 4.4Å; I258-V268 HydrophobicContact CG2-CG2 4.2Å; I258-C354 CarbonylContact O-C 3.53Å; I258-C354 WeakPolarHBondContact O-CA 3.19Å; I258-M355 HydrophobicContact CB-CB 4.37Å; I258-M355 HydrophobicContact CB-CE 4Å; I258-M355 HydrophobicContact CD1-CE 4.42Å; I258-M355 HydrophobicContact CG2-CE 3.98Å; I258-M355 PolarHBondContact N-O 3.06Å; I258-M355 PolarHBondContact O-N 3.19Å; I258-M357 HydrophobicContact CD1-CG 3.87Å; I258-M357 HydrophobicContact CD1-SD 3.57Å; I258-M357 VanDerWaalsContact CD1-SD 3.57Å; I258-M357 HydrophobicContact CG1-CG 4.35Å
259	W	94.4	Very high	81.6	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.4	165.1	-86.2	102.9	0	0	0	109.6	L244 C246 L266 F267 W337 L339 T353 C354 Y366	L244-W259 HydrophobicContact CB-CH2 3.62Å; L244-W259 HydrophobicContact CB-CZ2 4.42Å; L244-W259 HydrophobicContact CB-CZ3 4.19Å; L244-W259 HydrophobicContact CD1-CZ3 4.25Å; L244-W259 WeakPolarHBondContact O-CZ2 3.43Å; C246-W259 HydrophobicContact CB-CH2 4.33Å; C246-W259 HydrophobicContact CB-CZ2 3.5Å; W259-L266 HydrophobicContact CB-CB 4.29Å; W259-L266 WeakPolarHBondContact O-CA 3.49Å; W259-L266 WeakPolarHBondContact O-CB 3.04Å; W259-L266 PolarHBondContact O-N 3.01Å; W259-F267 HydrophobicContact CB-CB 4.24Å; W259-F267 HydrophobicContact CB-CD2 4.28Å; W259-F267 PolarHBondContact N-O 2.95Å; W259-F267 PolarHBondContact O-N 3.36Å; W259-F267 VanDerWaalsContact O-N 3.16Å; W259-W337 PolarHBondContact NE1-O 3.06Å; W259-L339 HydrophobicContact CD2-CB 3.78Å; W259-L339 HydrophobicContact CD2-CD2 3.94Å; W259-L339 HydrophobicContact CD2-CG 4.44Å; W259-L339 HydrophobicContact CE3-CB 4Å; W259-L339 HydrophobicContact CE3-CD2 3.56Å; W259-L339 HydrophobicContact CE3-CG 4.42Å; W259-L339 HydrophobicContact CG-CB 4.4Å; W259-L339 HydrophobicContact CG-CD2 4.47Å; W259-L339 HydrophobicContact CH2-CB 3.82Å; W259-L339 HydrophobicContact CZ2-CB 3.58Å; W259-L339 HydrophobicContact CZ3-CB 4.03Å; W259-L339 HydrophobicContact CZ3-CD2 3.89Å; W259-T353 CarbonylContact C-O 3.56Å; W259-T353 VanDerWaalsContact CA-O 3.3Å; W259-T353 WeakPolarHBondContact CA-O 3.37Å; W259-C354 HydrophobicContact CD2-CB 3.98Å; W259-C354 HydrophobicContact CE3-CB 4.05Å; W259-C354 HydrophobicContact CH2-CB 3.77Å; W259-C354 HydrophobicContact CZ2-CB 3.68Å; W259-C354 HydrophobicContact CZ3-CB 3.94Å; W259-Y366 AromaticContact CH2-CD2 3.87Å; W259-Y366 HydrophobicContact CH2-CD2 3.87Å; W259-Y366 AromaticContact CH2-CE2 3.65Å; W259-Y366 HydrophobicContact CH2-CE2 3.65Å; W259-Y366 AromaticContact CZ3-CD2 3.92Å; W259-Y366 HydrophobicContact CZ3-CD2 3.92Å; W259-Y366 HydrophobicContact CZ3-CE2 4.16Å
260	E	93.5	Very high	82	Confident	45 Å²	45	49.6 Å²	49.6	21%	0.21	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.2	178.5	-52.7	-172.5	149.4	0	0	110.9	I258 N264 Y352 T353 M355	I258-E260 HydrophobicContact CG2-CG 3.59Å; E260-N264 CarbonylContact C-O 3.57Å; E260-N264 VanDerWaalsContact CA-O 3.28Å; E260-N264 WeakPolarHBondContact CA-O 3.31Å; E260-Y352 CarbonylContact O-C 3.53Å; E260-Y352 VanDerWaalsContact O-CA 3.23Å; E260-Y352 WeakPolarHBondContact O-CA 3.5Å; E260-T353 PolarHBondContact N-O 2.66Å; E260-T353 PolarHBondContact O-N 2.7Å; E260-M355 HydrophobicContact CG-CE 3.92Å; E260-M355 WeakPolarHBondContact OE1-CE 3.49Å; E260-M355 VanDerWaalsContact OE2-CE 3.27Å; E260-M355 WeakPolarHBondContact OE2-CE 3.29Å
261	K	93.8	Very high	82.8	Confident	36 Å²	36	53 Å²	53	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.4	166.5	-178.7	-175.6	178.4	-175.3	0	107.8	Q263 N264 L266 T347 D350 I351 Y352	K261-Q263 PolarHBondContact O-N 3.4Å; K261-N264 PolarHBondContact N-O 3.35Å; K261-N264 PolarHBondContact O-N 3.29Å; K261-L266 HydrophobicContact CB-CD1 4.07Å; K261-L266 HydrophobicContact CB-CD2 3.87Å; K261-L266 HydrophobicContact CB-CG 4.07Å; K261-T347 PolarHBondContact NZ-O 2.79Å; K261-T347 VanDerWaalsContact NZ-O 3.07Å; K261-D350 HydrophobicContact CD-CB 4.31Å; K261-D350 WeakPolarHBondContact CE-OD2 3.34Å; K261-D350 HydrophobicContact CG-CB 3.8Å; K261-D350 WeakPolarHBondContact CG-OD2 3.33Å; K261-I351 CarbonylContact C-O 3.55Å; K261-Y352 HydrophobicContact CB-CD1 3.99Å; K261-Y352 HydrophobicContact CB-CE1 3.76Å; K261-Y352 HydrophobicContact CD-CE1 3.81Å; K261-Y352 WeakPolarHBondContact CD-OH 3.42Å; K261-Y352 WeakPolarHBondContact CE-OH 3.22Å; K261-Y352 HydrophobicContact CG-CD1 4.18Å; K261-Y352 HydrophobicContact CG-CE1 3.63Å; K261-Y352 HydrophobicContact CG-CE2 4.48Å
262	G	88.6	Confident	83.8	Confident	30 Å²	30	55.6 Å²	55.6	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-105.5	-168.9	0	0	0	0	0	110.3	I351	G262-I351 PolarHBondContact N-O 3.25Å
263	Q	83.5	Confident	85	Confident	180 Å²	180	57.9 Å²	57.9	84%	0.841	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	4.7	174.8	-64.7	-178.4	-17.2	0	0	112.8	K261	K261-Q263 PolarHBondContact O-N 3.4Å
264	N	90.6	Very high	86.1	Confident	116 Å²	116	54.3 Å²	54.3	62%	0.62	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.4	-178	-64.8	-44.3	0	0	0	110	E260 K261 L266	E260-N264 CarbonylContact C-O 3.57Å; E260-N264 VanDerWaalsContact CA-O 3.28Å; E260-N264 WeakPolarHBondContact CA-O 3.31Å; K261-N264 PolarHBondContact N-O 3.35Å; K261-N264 PolarHBondContact O-N 3.29Å; N264-L266 PolarHBondContact O-N 2.77Å
265	P	90.2	Very high	87.2	Confident	57 Å²	57	60 Å²	60	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.7	175.7	27.9	-33.4	0	0	0	110.4
266	L	92.2	Very high	88	Confident	1 Å²	1	62 Å²	62	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-52.6	172.8	-58.3	179.6	0	0	0	110	W259 K261 N264 F273 M274 F279 L339 Y352	W259-L266 HydrophobicContact CB-CB 4.29Å; W259-L266 WeakPolarHBondContact O-CA 3.49Å; W259-L266 WeakPolarHBondContact O-CB 3.04Å; W259-L266 PolarHBondContact O-N 3.01Å; K261-L266 HydrophobicContact CB-CD1 4.07Å; K261-L266 HydrophobicContact CB-CD2 3.87Å; K261-L266 HydrophobicContact CB-CG 4.07Å; N264-L266 PolarHBondContact O-N 2.77Å; L266-F273 PolarHBondContact O-N 3.3Å; L266-M274 HydrophobicContact CD2-CE 3.14Å; L266-F279 HydrophobicContact CD1-CD1 4.28Å; L266-L339 HydrophobicContact CD1-CD2 3.69Å; L266-Y352 HydrophobicContact CD1-CD1 3.85Å; L266-Y352 HydrophobicContact CD1-CE1 4Å
267	F	91	Very high	88.4	Confident	14 Å²	14	63.4 Å²	63.4	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.5	-178.5	-59.4	-91.2	0	0	0	110.3	I258 W259 V271 S272 F279 L281 L339	I258-F267 WeakPolarHBondContact CA-O 3.5Å; W259-F267 HydrophobicContact CB-CB 4.24Å; W259-F267 HydrophobicContact CB-CD2 4.28Å; W259-F267 PolarHBondContact N-O 2.95Å; W259-F267 PolarHBondContact O-N 3.36Å; W259-F267 VanDerWaalsContact O-N 3.16Å; F267-V271 CarbonylContact C-O 3.59Å; F267-V271 VanDerWaalsContact CA-O 3.23Å; F267-V271 WeakPolarHBondContact CA-O 3.21Å; F267-S272 VanDerWaalsContact CE1-CB 3.47Å; F267-S272 VanDerWaalsContact CE1-OG 3.28Å; F267-S272 WeakPolarHBondContact CE1-OG 3.22Å; F267-F279 HydrophobicContact CE2-CB 4.26Å; F267-F279 HydrophobicContact CZ-CB 4.35Å; F267-L281 HydrophobicContact CB-CD2 3.94Å; F267-L281 HydrophobicContact CD1-CB 3.96Å; F267-L281 HydrophobicContact CD1-CD2 4.06Å; F267-L281 HydrophobicContact CD2-CB 4.36Å; F267-L281 HydrophobicContact CE1-CB 3.95Å; F267-L281 HydrophobicContact CE2-CB 4.37Å; F267-L281 HydrophobicContact CG-CB 4.18Å; F267-L281 HydrophobicContact CG-CD2 4Å; F267-L281 HydrophobicContact CZ-CB 4.18Å; F267-L339 HydrophobicContact CD2-CD1 4.19Å; F267-L339 HydrophobicContact CE2-CD1 3.76Å
268	V	87.5	Confident	88.6	Confident	43 Å²	43	65.5 Å²	65.5	26%	0.261	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	104.4	167	179.5	0	0	0	0	106.8	T256 I257 I258 T270 V271 F273	T256-V268 HydrophobicContact CG2-CG1 3.33Å; I257-V268 CarbonylContact O-C 3.47Å; I257-V268 WeakPolarHBondContact O-CA 3.37Å; I258-V268 HydrophobicContact CG1-CG1 4.38Å; I258-V268 HydrophobicContact CG1-CG2 4.4Å; I258-V268 HydrophobicContact CG2-CG2 4.2Å; V268-T270 PolarHBondContact O-N 3.21Å; V268-T270 VanDerWaalsContact O-N 3.11Å; V268-V271 PolarHBondContact N-O 2.67Å; V268-V271 WeakPolarHBondContact O-CB 3.43Å; V268-V271 PolarHBondContact O-N 2.73Å; V268-F273 HydrophobicContact CB-CE2 3.82Å; V268-F273 HydrophobicContact CG2-CD2 4.25Å; V268-F273 HydrophobicContact CG2-CE2 3.5Å; V268-F273 HydrophobicContact CG2-CZ 4.29Å
269	S	84.9	Confident	88.8	Confident	24 Å²	24	65 Å²	65	17%	0.168	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-110.8	-168.1	-63.5	0	0	0	0	109.9	I257 L281	I257-S269 PolarHBondContact N-OG 3.18Å; I257-S269 PolarHBondContact O-N 2.82Å; S269-L281 WeakPolarHBondContact O-CD2 3.22Å
270	T	81.8	Confident	88.6	Confident	108 Å²	108	68.8 Å²	68.8	66%	0.663	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.5	-179.9	51.6	0	0	0	0	113.5	V268 I283	V268-T270 PolarHBondContact O-N 3.21Å; V268-T270 VanDerWaalsContact O-N 3.11Å; T270-I283 HydrophobicContact CG2-CD1 3.65Å
271	V	84.6	Confident	88.3	Confident	80 Å²	80	68.1 Å²	68.1	49%	0.485	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.9	-176.6	-177.2	0	0	0	0	109.7	F267 V268 F273	F267-V271 CarbonylContact C-O 3.59Å; F267-V271 VanDerWaalsContact CA-O 3.23Å; F267-V271 WeakPolarHBondContact CA-O 3.21Å; V268-V271 PolarHBondContact N-O 2.67Å; V268-V271 WeakPolarHBondContact O-CB 3.43Å; V268-V271 PolarHBondContact O-N 2.73Å; V271-F273 HydrophobicContact CB-CE2 4.43Å; V271-F273 HydrophobicContact CG1-CE2 3.99Å; V271-F273 HydrophobicContact CG1-CZ 4.08Å
272	S	88.8	Confident	87.8	Confident	59 Å²	59	69.1 Å²	69.1	41%	0.413	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.3	172.9	-172.7	0	0	0	0	111.1	F267 M274	F267-S272 VanDerWaalsContact CE1-CB 3.47Å; F267-S272 VanDerWaalsContact CE1-OG 3.28Å; F267-S272 WeakPolarHBondContact CE1-OG 3.22Å; S272-M274 PolarHBondContact OG-N 3.32Å; S272-M274 PolarHBondContact OG-O 2.86Å; S272-M274 VanDerWaalsContact OG-O 3.14Å
273	F	87.5	Confident	87.4	Confident	122 Å²	122	70.4 Å²	70.4	54%	0.535	37%	0.37	S	S	.	.			trans	-102.4	-8	166.6	-63.3	-90.3	0	0	0	111.8	L266 V268 V271	L266-F273 PolarHBondContact O-N 3.3Å; V268-F273 HydrophobicContact CB-CE2 3.82Å; V268-F273 HydrophobicContact CG2-CD2 4.25Å; V268-F273 HydrophobicContact CG2-CE2 3.5Å; V268-F273 HydrophobicContact CG2-CZ 4.29Å; V271-F273 HydrophobicContact CB-CE2 4.43Å; V271-F273 HydrophobicContact CG1-CE2 3.99Å; V271-F273 HydrophobicContact CG1-CZ 4.08Å
274	M	85.2	Confident	86.9	Confident	61 Å²	61	63.2 Å²	63.2	30%	0.3	34%	0.34	S	S	.	.			trans	-88.7	127.8	-179.4	-171.3	53.6	69.6	0	0	111.1	L266 S272 D276 F279	L266-M274 HydrophobicContact CD2-CE 3.14Å; S272-M274 PolarHBondContact OG-N 3.32Å; S272-M274 PolarHBondContact OG-O 2.86Å; S272-M274 VanDerWaalsContact OG-O 3.14Å; M274-D276 HydrophobicContact CG-CB 3.97Å; M274-D276 HydrophobicContact SD-CB 3.9Å; M274-F279 HydrophobicContact CG-CB 3.94Å; M274-F279 HydrophobicContact CG-CD2 3.85Å; M274-F279 HydrophobicContact CG-CG 3.98Å; M274-F279 HydrophobicContact SD-CD2 4.41Å
275	Q	84.6	Confident	85.6	Confident	197 Å²	197	61.2 Å²	61.2	92%	0.921	33%	0.329	S	S	*	.			trans	-84.4	-21.8	173	-66.4	-177.4	-6	0	0	112.5	S277	Q275-S277 PolarHBondContact O-N 3.22Å; Q275-S277 VanDerWaalsContact O-N 3.16Å
276	D	88.9	Confident	83.9	Confident	53 Å²	53	59.7 Å²	59.7	28%	0.283	32%	0.317	S	S	.	.			trans	-72.8	107.2	179.1	-173.4	-10.7	0	0	0	111	M274 R278 F279	M274-D276 HydrophobicContact CG-CB 3.97Å; M274-D276 HydrophobicContact SD-CB 3.9Å; D276-R278 PolarHBondContact O-N 3.04Å; D276-R278 VanDerWaalsContact OD1-CB 3.3Å; D276-R278 WeakPolarHBondContact OD1-CB 3.49Å; D276-R278 VanDerWaalsContact OD1-CG 3.24Å; D276-R278 WeakPolarHBondContact OD1-CG 3.32Å; D276-R278 PolarHBondContact OD1-N 3.25Å; D276-R278 IonicContact OD1-NE 3.59Å; D276-R278 PolarHBondContact OD1-NE 2.74Å; D276-R278 IonicContact OD2-CZ 3.62Å; D276-R278 IonicContact OD2-NE 3.68Å; D276-R278 PolarHBondContact OD2-NE 3.3Å; D276-R278 IonicContact OD2-NH2 2.87Å; D276-R278 PolarHBondContact OD2-NH2 3.05Å; D276-F279 HydrophobicContact CB-CD2 3.87Å; D276-F279 HydrophobicContact CB-CE2 4.22Å; D276-F279 PolarHBondContact O-N 3.47Å
277	S	88.2	Confident	81.4	Confident	79 Å²	79	64 Å²	64	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.6	-179.4	68.9	0	0	0	0	115.3	Q275 F279	Q275-S277 PolarHBondContact O-N 3.22Å; Q275-S277 VanDerWaalsContact O-N 3.16Å; S277-F279 VanDerWaalsContact C-N 3.26Å
278	R	91.7	Very high	79.2	Confident	47 Å²	47	70.6 Å²	70.6	18%	0.177	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.5	173.1	-64.8	-178	-52.8	126	3.2	112.1	D276 I341 D342 F343 D348	D276-R278 PolarHBondContact O-N 3.04Å; D276-R278 VanDerWaalsContact OD1-CB 3.3Å; D276-R278 WeakPolarHBondContact OD1-CB 3.49Å; D276-R278 VanDerWaalsContact OD1-CG 3.24Å; D276-R278 WeakPolarHBondContact OD1-CG 3.32Å; D276-R278 PolarHBondContact OD1-N 3.25Å; D276-R278 IonicContact OD1-NE 3.59Å; D276-R278 PolarHBondContact OD1-NE 2.74Å; D276-R278 IonicContact OD2-CZ 3.62Å; D276-R278 IonicContact OD2-NE 3.68Å; D276-R278 PolarHBondContact OD2-NE 3.3Å; D276-R278 IonicContact OD2-NH2 2.87Å; D276-R278 PolarHBondContact OD2-NH2 3.05Å; R278-I341 WeakPolarHBondContact O-CA 3.47Å; R278-D342 WeakPolarHBondContact CB-O 3.16Å; R278-D342 WeakPolarHBondContact CD-O 3.44Å; R278-D342 PolarHBondContact O-N 2.77Å; R278-F343 PolarHBondContact NH1-O 3.45Å; R278-D348 IonicContact CZ-OD1 2.6Å; R278-D348 IonicContact CZ-OD2 3.17Å; R278-D348 IonicContact NH1-OD1 3.44Å; R278-D348 IonicContact NH1-OD2 3.16Å; R278-D348 PolarHBondContact NH1-OD2 3.5Å; R278-D348 IonicContact NH2-OD1 3.59Å; R278-D348 PolarHBondContact NH2-OD1 2.93Å; R278-D348 IonicContact NH2-OD2 3.75Å; R278-D348 PolarHBondContact NH2-OD2 3.49Å
279	F	92.7	Very high	76.4	Confident	13 Å²	13	76.1 Å²	76.1	6%	0.057	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.2	177.1	-66.7	-97.9	0	0	0	109	L266 F267 M274 D276 S277 L339 I340 I341 Y352	L266-F279 HydrophobicContact CD1-CD1 4.28Å; F267-F279 HydrophobicContact CE2-CB 4.26Å; F267-F279 HydrophobicContact CZ-CB 4.35Å; M274-F279 HydrophobicContact CG-CB 3.94Å; M274-F279 HydrophobicContact CG-CD2 3.85Å; M274-F279 HydrophobicContact CG-CG 3.98Å; M274-F279 HydrophobicContact SD-CD2 4.41Å; D276-F279 HydrophobicContact CB-CD2 3.87Å; D276-F279 HydrophobicContact CB-CE2 4.22Å; D276-F279 PolarHBondContact O-N 3.47Å; S277-F279 VanDerWaalsContact C-N 3.26Å; F279-L339 HydrophobicContact CD1-CD1 4.47Å; F279-I340 WeakPolarHBondContact CA-O 3.1Å; F279-I341 HydrophobicContact CD1-CD1 4.07Å; F279-I341 HydrophobicContact CD1-CG1 3.75Å; F279-I341 HydrophobicContact CD1-CG2 4.29Å; F279-I341 HydrophobicContact CE1-CB 4.46Å; F279-I341 HydrophobicContact CE1-CD1 3.55Å; F279-I341 HydrophobicContact CE1-CG1 3.7Å; F279-I341 HydrophobicContact CE1-CG2 3.94Å; F279-I341 HydrophobicContact CE2-CG2 4.3Å; F279-I341 HydrophobicContact CZ-CD1 4.35Å; F279-I341 HydrophobicContact CZ-CG2 3.95Å; F279-Y352 AromaticContact CE1-CE1 3.9Å; F279-Y352 HydrophobicContact CE1-CE1 3.9Å
280	R	90.2	Very high	73.7	Confident	79 Å²	79	83.7 Å²	83.7	30%	0.298	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.5	-179.6	-61.7	-171.6	-69.5	135.4	-5.2	109.6	I340 D342 Y546	R280-I340 HydrophobicContact CB-CB 4.37Å; R280-I340 PolarHBondContact N-O 3.45Å; R280-I340 PolarHBondContact O-N 2.98Å; R280-D342 IonicContact CZ-OD1 3.4Å; R280-D342 IonicContact CZ-OD2 2.77Å; R280-D342 IonicContact NE-OD1 3.52Å; R280-D342 IonicContact NE-OD2 3.84Å; R280-D342 PolarHBondContact NE-OD2 2.97Å; R280-D342 VanDerWaalsContact NH2-CG 3.34Å; R280-D342 IonicContact NH2-OD1 3.9Å; R280-D342 PolarHBondContact NH2-OD1 3.16Å; R280-D342 IonicContact NH2-OD2 3.18Å; R280-D342 PolarHBondContact NH2-OD2 2.97Å; R280-Y546 PolarHBondContact NH2-O 3.21Å
281	L	87.6	Confident	71.1	Confident	32 Å²	32	85.5 Å²	85.5	17%	0.168	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.8	170.6	-170.4	64.7	0	0	0	108.7	F267 S269 I283 W337	F267-L281 HydrophobicContact CB-CD2 3.94Å; F267-L281 HydrophobicContact CD1-CB 3.96Å; F267-L281 HydrophobicContact CD1-CD2 4.06Å; F267-L281 HydrophobicContact CD2-CB 4.36Å; F267-L281 HydrophobicContact CE1-CB 3.95Å; F267-L281 HydrophobicContact CE2-CB 4.37Å; F267-L281 HydrophobicContact CG-CB 4.18Å; F267-L281 HydrophobicContact CG-CD2 4Å; F267-L281 HydrophobicContact CZ-CB 4.18Å; S269-L281 WeakPolarHBondContact O-CD2 3.22Å; L281-I283 HydrophobicContact CD2-CD1 3.76Å; L281-I283 HydrophobicContact CD2-CG1 3.93Å; L281-I283 HydrophobicContact CG-CD1 4.15Å; L281-I283 HydrophobicContact CG-CG1 3.79Å; L281-W337 HydrophobicContact CD2-CE3 4.22Å
282	N	83.6	Confident	68.3	Low	56 Å²	56	88.1 Å²	88.1	30%	0.299	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.2	176	-172.6	23.3	0	0	0	109.3	D338 I340	N282-D338 HydrophobicContact CB-CB 4.39Å; N282-D338 PolarHBondContact N-O 2.85Å; N282-D338 PolarHBondContact O-N 3.23Å; N282-D338 VanDerWaalsContact O-N 3.12Å; N282-I340 HydrophobicContact CB-CD1 3.84Å
283	I	79.4	Confident	65.3	Low	58 Å²	58	91.5 Å²	91.5	30%	0.297	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	179.8	-50.1	171.3	0	0	0	108.9	T270 L281 R335 R336 W337	T270-I283 HydrophobicContact CG2-CD1 3.65Å; L281-I283 HydrophobicContact CD2-CD1 3.76Å; L281-I283 HydrophobicContact CD2-CG1 3.93Å; L281-I283 HydrophobicContact CG-CD1 4.15Å; L281-I283 HydrophobicContact CG-CG1 3.79Å; I283-R335 HydrophobicContact CG2-CG 4.32Å; I283-R336 VanDerWaalsContact CA-O 3.31Å; I283-R336 WeakPolarHBondContact CA-O 3.44Å; I283-W337 HydrophobicContact CD1-CE3 3.87Å; I283-W337 HydrophobicContact CD1-CZ3 3.55Å; I283-W337 HydrophobicContact CG1-CE3 3.79Å; I283-W337 HydrophobicContact CG1-CZ3 3.99Å; I283-W337 HydrophobicContact CG2-CE3 4.23Å; I283-W337 HydrophobicContact CG2-CZ3 4.19Å
284	S	73.8	Confident	62.3	Low	28 Å²	28	93.6 Å²	93.6	20%	0.196	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.1	167	75.2	0	0	0	0	111	E286 R336	S284-E286 PolarHBondContact O-N 3.46Å; S284-R336 PolarHBondContact N-O 3.35Å; S284-R336 PolarHBondContact O-N 3.01Å; S284-R336 VanDerWaalsContact OG-CZ 3.24Å; S284-R336 PolarHBondContact OG-NE 3.05Å; S284-R336 PolarHBondContact OG-NH2 3.22Å
285	D	62.4	Low	59.4	Low	74 Å²	74	98 Å²	98	40%	0.396	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	110.5	163.6	-72.1	-42	0	0	0	109.2	N287 R335	D285-N287 PolarHBondContact O-N 3.16Å; D285-R335 WeakPolarHBondContact OD1-CD 3.25Å; D285-R335 WeakPolarHBondContact OD1-CG 3.41Å; D285-R335 IonicContact OD1-CZ 3Å; D285-R335 IonicContact OD1-NE 3.74Å; D285-R335 PolarHBondContact OD1-NE 2.91Å; D285-R335 IonicContact OD1-NH2 3.41Å; D285-R335 PolarHBondContact OD1-NH2 2.83Å; D285-R335 IonicContact OD2-CZ 2.67Å; D285-R335 IonicContact OD2-NE 3.84Å; D285-R335 IonicContact OD2-NH2 2.71Å; D285-R335 PolarHBondContact OD2-NH2 3.43Å
286	E	55.3	Low	56.6	Low	25 Å²	25	96.4 Å²	96.4	12%	0.117	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	66.8	171.4	-64	-171	167.8	0	0	109.2	H209 S284 Y288 R334 R336	H209-E286 IonicContact CE1-OE1 3.07Å; H209-E286 PolarHBondContact CE1-OE1 3.27Å; H209-E286 IonicContact ND1-OE1 3.19Å; S284-E286 PolarHBondContact O-N 3.46Å; E286-Y288 PolarHBondContact O-N 3.27Å; E286-R334 HydrophobicContact CB-CB 4.23Å; E286-R334 PolarHBondContact N-O 3.5Å; E286-R334 IonicContact OE1-CZ 2.85Å; E286-R334 IonicContact OE1-NH2 3.22Å; E286-R334 WeakPolarHBondContact OE2-CD 3.41Å; E286-R334 IonicContact OE2-CZ 2.97Å; E286-R334 IonicContact OE2-NE 3.97Å; E286-R334 PolarHBondContact OE2-NE 3.09Å; E286-R334 IonicContact OE2-NH1 2.72Å; E286-R334 PolarHBondContact OE2-NH1 3Å; E286-R334 IonicContact OE2-NH2 3.03Å; E286-R336 HydrophobicContact CG-CG 4.32Å; E286-R336 VanDerWaalsContact OE1-CD 3.29Å; E286-R336 WeakPolarHBondContact OE1-CD 3.38Å; E286-R336 IonicContact OE1-CZ 3.55Å; E286-R336 IonicContact OE1-NE 2.75Å
287	N	40.5	Very low	53.5	Low	93 Å²	93	99.6 Å²	99.6	50%	0.497	49%	0.487	S	S	.	.			trans	-90.2	85.8	167.3	-76.5	-21.3	0	0	0	108.8	D285 F289	D285-N287 PolarHBondContact O-N 3.16Å; N287-F289 PolarHBondContact O-N 3.02Å
288	Y	43.4	Very low	50.6	Low	152 Å²	152	100.3 Å²	100.3	60%	0.596	48%	0.483	S	S	*	.			trans	-88.6	93	177.3	-100.5	-86	0	0	0	111.7	E286	E286-Y288 PolarHBondContact O-N 3.27Å
289	F	28.7	Very low	47.4	Very low	158 Å²	158	106.3 Å²	106.3	69%	0.693	51%	0.511	S	S	*	.			trans	-160.7	77.3	132.9	-97.4	-73.1	0	0	0	107.4	N287 I328	N287-F289 PolarHBondContact O-N 3.02Å; F289-I328 HydrophobicContact CE2-CB 4.37Å; F289-I328 WeakPolarHBondContact CE2-O 3.25Å
290	H	29.3	Very low	44.4	Very low	184 Å²	184	109.7 Å²	109.7	85%	0.852	53%	0.532	S	S	*	.			trans	-119.6	116.9	154.4	-119.9	-43.7	0	0	0	109.8	E292	H290-E292 PolarHBondContact O-N 2.83Å
291	N	26.3	Very low	41.3	Very low	146 Å²	146	115.5 Å²	115.5	78%	0.781	56%	0.56	S	S	*	*			trans	-58.6	72.5	177.9	-72.6	-27.5	0	0	0	113
292	E	25.2	Very low	38.4	Very low	134 Å²	134	123 Å²	123	63%	0.626	59%	0.587	S	S	*	*			trans	-124.4	82.7	151.3	-70.8	-171.3	179.8	0	0	107.6	H290 Y294	H290-E292 PolarHBondContact O-N 2.83Å; E292-Y294 HydrophobicContact CB-CD2 4Å; E292-Y294 HydrophobicContact CB-CE2 3.8Å; E292-Y294 PolarHBondContact O-N 2.81Å; E292-Y294 WeakPolarHBondContact OE2-CE2 3.19Å; E292-Y294 VanDerWaalsContact OE2-CZ 3.25Å; E292-Y294 PolarHBondContact OE2-OH 3.01Å
293	T	26	Very low	35.6	Very low	130 Å²	130	125.5 Å²	125.5	80%	0.798	61%	0.607	S	S	*	*			trans	-52.2	80.9	143	32.1	0	0	0	0	107.8	L295	T293-L295 VanDerWaalsContact C-N 3.31Å; T293-L295 PolarHBondContact O-N 2.93Å
294	Y	26	Very low	33.1	Very low	167 Å²	167	132.1 Å²	132.1	66%	0.655	63%	0.633	S	S	*	*			trans	-57.3	112.1	145.2	-75.6	-82.9	0	0	0	104.2	E292 F296	E292-Y294 HydrophobicContact CB-CD2 4Å; E292-Y294 HydrophobicContact CB-CE2 3.8Å; E292-Y294 PolarHBondContact O-N 2.81Å; E292-Y294 WeakPolarHBondContact OE2-CE2 3.19Å; E292-Y294 VanDerWaalsContact OE2-CZ 3.25Å; E292-Y294 PolarHBondContact OE2-OH 3.01Å; Y294-F296 PolarHBondContact O-N 3.13Å
295	L	24.4	Very low	30.8	Very low	152 Å²	152	136.9 Å²	136.9	80%	0.796	66%	0.656	S	S	*	*			trans	-53	79.6	155.6	-98	89.7	0	0	0	107.1	T293 N297	T293-L295 VanDerWaalsContact C-N 3.31Å; T293-L295 PolarHBondContact O-N 2.93Å; L295-N297 PolarHBondContact O-N 2.81Å
296	F	25.6	Very low	29.2	Very low	165 Å²	165	144.9 Å²	144.9	72%	0.724	68%	0.683	S	S	*	*			trans	-69.8	84.2	151.8	-95.8	-79.6	0	0	0	104.8	Y294 I298	Y294-F296 PolarHBondContact O-N 3.13Å; F296-I298 HydrophobicContact CB-CD1 4.38Å; F296-I298 HydrophobicContact CB-CG1 4.2Å; F296-I298 HydrophobicContact CD1-CG1 4.42Å; F296-I298 PolarHBondContact O-N 2.71Å
297	N	22.4	Very low	27.8	Very low	120 Å²	120	149.6 Å²	149.6	64%	0.642	71%	0.708	S	S	*	*			trans	-65	65.9	166	-141	-6.8	0	0	0	106.6	L295 K299	L295-N297 PolarHBondContact O-N 2.81Å; N297-K299 PolarHBondContact O-N 3.4Å
298	I	28	Very low	27.1	Very low	94 Å²	94	153.1 Å²	153.1	48%	0.482	72%	0.722	S	S	.	*			trans	-73	77.5	165.3	-62.1	173.1	0	0	0	104	F296 T300	F296-I298 HydrophobicContact CB-CD1 4.38Å; F296-I298 HydrophobicContact CB-CG1 4.2Å; F296-I298 HydrophobicContact CD1-CG1 4.42Å; F296-I298 PolarHBondContact O-N 2.71Å; I298-T300 HydrophobicContact CG2-CG2 3.25Å; I298-T300 PolarHBondContact O-N 2.9Å
299	K	25.1	Very low	26.2	Very low	173 Å²	173	155.6 Å²	155.6	75%	0.752	74%	0.736	S	S	*	*			trans	-62	74.6	143.5	-73.3	-177.5	178.9	177	0	105.6	N297 K301	N297-K299 PolarHBondContact O-N 3.4Å; K299-K301 PolarHBondContact O-N 2.77Å
300	T	28.9	Very low	26.1	Very low	84 Å²	84	153.2 Å²	153.2	52%	0.515	74%	0.739	S	S	.	*			trans	-60.7	90.6	150.8	38.7	0	0	0	0	105	I298 Y302	I298-T300 HydrophobicContact CG2-CG2 3.25Å; I298-T300 PolarHBondContact O-N 2.9Å; T300-Y302 HydrophobicContact CG2-CD2 3.83Å; T300-Y302 HydrophobicContact CG2-CE2 3.58Å; T300-Y302 PolarHBondContact O-N 2.84Å
301	K	24.9	Very low	25.9	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	74%	0.738	S	S	*	*			trans	-60.7	70.9	144.5	-83.9	-177.3	171.3	-178.9	0	106.3	K299 P303	K299-K301 PolarHBondContact O-N 2.77Å; K301-P303 WeakPolarHBondContact O-CD 3.38Å
302	Y	26.6	Very low	26.1	Very low	190 Å²	190	153.3 Å²	153.3	75%	0.745	74%	0.743	S	S	*	*			trans	-67.7	119.4	145.1	-82.4	-72.3	0	0	0	104.3	T300 K304	T300-Y302 HydrophobicContact CG2-CD2 3.83Å; T300-Y302 HydrophobicContact CG2-CE2 3.58Å; T300-Y302 PolarHBondContact O-N 2.84Å; Y302-K304 PolarHBondContact O-N 2.76Å; Y302-K304 VanDerWaalsContact O-N 3.1Å
303	P	26	Very low	26.2	Very low	109 Å²	109	155.5 Å²	155.5	71%	0.708	75%	0.75	S	S	*	*			trans	-55.9	122.8	169.2	-12.1	25.5	0	0	0	106.7	K301 D305	K301-P303 WeakPolarHBondContact O-CD 3.38Å; P303-D305 VanDerWaalsContact C-N 3.26Å; P303-D305 PolarHBondContact O-N 2.98Å
304	K	26.2	Very low	26.2	Very low	197 Å²	197	156.2 Å²	156.2	86%	0.857	75%	0.749	S	S	*	*	S	Bend	trans	-51.6	96	159.1	-69	172.7	172.3	-177.8	0	106.7	Y302	Y302-K304 PolarHBondContact O-N 2.76Å; Y302-K304 VanDerWaalsContact O-N 3.1Å
305	D	26.2	Very low	26.5	Very low	127 Å²	127	154.9 Å²	154.9	68%	0.679	75%	0.754	S	S	*	*			trans	-169.6	37	165.8	-90.5	-23.7	0	0	0	111.8	P303	P303-D305 VanDerWaalsContact C-N 3.26Å; P303-D305 PolarHBondContact O-N 2.98Å
306	Y	28.1	Very low	26.7	Very low	243 Å²	243	157.9 Å²	157.9	95%	0.953	76%	0.76	S	S	*	*			trans	-111.9	75.9	151.1	-101.9	-91	0	0	0	107.2	E308	Y306-E308 PolarHBondContact O-N 2.97Å
307	N	26	Very low	27	Very low	123 Å²	123	155 Å²	155	66%	0.658	75%	0.752	S	S	*	*			trans	-61.1	119.9	171.4	-82.9	-20.8	0	0	0	109.7
308	E	26	Very low	27.8	Very low	168 Å²	168	151.9 Å²	151.9	79%	0.785	74%	0.739	S	S	*	*				44.6	92.3	118.4	-62.3	-178.2	156.8	0	0	115.9	Y306	Y306-E308 PolarHBondContact O-N 2.97Å
309	K	24.4	Very low	28.2	Very low	204 Å²	204	153.4 Å²	153.4	89%	0.887	74%	0.74	S	S	*	*				-167.4	145.5	127.1	-100.1	156.3	-173.2	-176	0	109.8
310	S	26.4	Very low	28.8	Very low	108 Å²	108	151.5 Å²	151.5	76%	0.755	73%	0.734	S	S	*	*			trans	68.9	85.5	-177.2	68.6	0	0	0	0	115.7
311	I	25.7	Very low	29.3	Very low	162 Å²	162	152.2 Å²	152.2	83%	0.831	73%	0.734	S	S	*	*				67.4	93.1	84.1	-57.6	160.8	0	0	0	112.1
312	L	29.6	Very low	29.8	Very low	170 Å²	170	146.9 Å²	146.9	89%	0.89	71%	0.709	S	S	*	*				-153.7	92.3	129.2	-106.4	149.9	0	0	0	106.9	D314	L312-D314 PolarHBondContact O-N 2.8Å
313	K	26.6	Very low	30.2	Very low	179 Å²	179	140.9 Å²	140.9	78%	0.778	69%	0.69	S	S	*	*			trans	-61.8	118.1	156.1	-75.1	176.3	173.1	178.8	0	106.1
314	D	27.4	Very low	30.8	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	69%	0.689	S	S	*	*				168.5	138.9	121	-80.6	-23.3	0	0	0	110.9	L312	L312-D314 PolarHBondContact O-N 2.8Å
315	N	30.9	Very low	31.4	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	69%	0.686	S	S	*	*			trans	68.7	76.8	172.3	-62.4	-16.7	0	0	0	117.4	L317	N315-L317 HydrophobicContact CB-CD1 4.29Å; N315-L317 PolarHBondContact O-N 2.71Å
316	K	30.4	Very low	31.8	Very low	216 Å²	216	141.5 Å²	141.5	94%	0.939	68%	0.679	S	S	*	*			trans	-61.5	78.1	148.7	-78.4	-178.3	175.9	176.8	0	109.5	S318	K316-S318 PolarHBondContact O-N 3.09Å
317	L	31.5	Very low	32.1	Very low	105 Å²	105	135.3 Å²	135.3	55%	0.55	66%	0.662	S	S	.	*			trans	-65.1	118	156.3	-101.1	102.8	0	0	0	106.8	N315 Y319 Y322	N315-L317 HydrophobicContact CB-CD1 4.29Å; N315-L317 PolarHBondContact O-N 2.71Å; L317-Y319 PolarHBondContact O-N 2.91Å; L317-Y322 HydrophobicContact CD2-CD2 3.91Å
318	S	37.9	Very low	32.8	Very low	53 Å²	53	131.2 Å²	131.2	37%	0.371	64%	0.64	S	S	.	*			trans	-58	133.4	172.3	77.3	0	0	0	0	108.4	K316 Q320 N321 Y322	K316-S318 PolarHBondContact O-N 3.09Å; S318-Q320 PolarHBondContact O-N 2.96Å; S318-Q320 VanDerWaalsContact O-N 3.1Å; S318-N321 PolarHBondContact O-N 3.07Å; S318-N321 WeakPolarHBondContact OG-CB 3.33Å; S318-N321 PolarHBondContact OG-N 2.74Å; S318-N321 PolarHBondContact OG-ND2 3.46Å; S318-Y322 PolarHBondContact O-N 2.67Å
319	Y	37.5	Very low	33.3	Very low	126 Å²	126	132.9 Å²	132.9	49%	0.494	64%	0.639	S	S	.	*	H	α-helix	trans	-50.2	-34.6	176.4	-179.5	-99.1	0	0	0	111.8	L317 Y322 L323	L317-Y319 PolarHBondContact O-N 2.91Å; Y319-Y322 PolarHBondContact O-N 2.63Å; Y319-L323 HydrophobicContact CD1-CD1 3.96Å; Y319-L323 HydrophobicContact CE1-CD1 3.5Å; Y319-L323 PolarHBondContact O-N 3.36Å
320	Q	38.4	Very low	34	Very low	134 Å²	134	125.2 Å²	125.2	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-60.2	-41.1	171.9	-109.9	91	4.3	0	0	114.3	S318 Y322 L323 N324	S318-Q320 PolarHBondContact O-N 2.96Å; S318-Q320 VanDerWaalsContact O-N 3.1Å; Q320-Y322 VanDerWaalsContact C-N 3.32Å; Q320-Y322 PolarHBondContact O-N 3.14Å; Q320-L323 PolarHBondContact O-N 3.32Å; Q320-N324 PolarHBondContact O-N 2.85Å; Q320-N324 VanDerWaalsContact O-N 3.15Å
321	N	39	Very low	34.9	Very low	99 Å²	99	127.3 Å²	127.3	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-24.3	-178	-76.1	-5.2	0	0	0	112.7	S318 K325	S318-N321 PolarHBondContact O-N 3.07Å; S318-N321 WeakPolarHBondContact OG-CB 3.33Å; S318-N321 PolarHBondContact OG-N 2.74Å; S318-N321 PolarHBondContact OG-ND2 3.46Å; N321-K325 PolarHBondContact O-N 3.26Å
322	Y	34.7	Very low	36.2	Very low	87 Å²	87	122.1 Å²	122.1	34%	0.341	58%	0.58	S	S	.	*	H	α-helix	trans	-74.5	-40	174.8	-146.3	-81.6	0	0	0	111.6	S215 L317 S318 Y319 Q320 K325 Y326	S215-Y322 WeakPolarHBondContact CB-OH 3.37Å; S215-Y322 VanDerWaalsContact OG-CE1 3.28Å; S215-Y322 WeakPolarHBondContact OG-CE1 3.48Å; S215-Y322 PolarHBondContact OG-OH 2.96Å; S215-Y322 VanDerWaalsContact OG-OH 3.11Å; L317-Y322 HydrophobicContact CD2-CD2 3.91Å; S318-Y322 PolarHBondContact O-N 2.67Å; Y319-Y322 PolarHBondContact O-N 2.63Å; Q320-Y322 VanDerWaalsContact C-N 3.32Å; Q320-Y322 PolarHBondContact O-N 3.14Å; Y322-K325 PolarHBondContact O-N 3.09Å; Y322-Y326 HydrophobicContact CD1-CD2 4.34Å; Y322-Y326 HydrophobicContact CD1-CE2 4.22Å; Y322-Y326 HydrophobicContact CE1-CD2 4.21Å; Y322-Y326 AromaticContact CE1-CE2 3.65Å; Y322-Y326 HydrophobicContact CE1-CE2 3.65Å
323	L	35.5	Very low	37.5	Very low	65 Å²	65	118.7 Å²	118.7	34%	0.34	56%	0.558	S	S	.	*	H	α-helix	trans	-68.5	-32.5	175.5	-76.6	167.7	0	0	0	113.1	Y319 Q320	Y319-L323 HydrophobicContact CD1-CD1 3.96Å; Y319-L323 HydrophobicContact CE1-CD1 3.5Å; Y319-L323 PolarHBondContact O-N 3.36Å; Q320-L323 PolarHBondContact O-N 3.32Å
324	N	38.8	Very low	39.5	Very low	128 Å²	128	111.3 Å²	111.3	68%	0.684	53%	0.526	S	S	*	.	H	α-helix	trans	-78.4	-21.2	178.1	-75.2	-12	0	0	0	113.8	Q320	Q320-N324 PolarHBondContact O-N 2.85Å; Q320-N324 VanDerWaalsContact O-N 3.15Å
325	K	38	Very low	41.7	Very low	183 Å²	183	106.5 Å²	106.5	80%	0.796	50%	0.497	S	S	*	.	H	α-helix	trans	-79.4	-25.4	-179.6	-153.8	178.1	-174.3	-177.2	0	112.4	N321 Y322	N321-K325 PolarHBondContact O-N 3.26Å; Y322-K325 PolarHBondContact O-N 3.09Å
326	Y	34	Very low	44.1	Very low	135 Å²	135	101.4 Å²	101.4	53%	0.529	47%	0.467	S	S	.	.	S	Bend	trans	-93.8	99	162.4	-70.4	-88.4	0	0	0	106.4	Y322 I328	Y322-Y326 HydrophobicContact CD1-CD2 4.34Å; Y322-Y326 HydrophobicContact CD1-CE2 4.22Å; Y322-Y326 HydrophobicContact CE1-CD2 4.21Å; Y322-Y326 AromaticContact CE1-CE2 3.65Å; Y322-Y326 HydrophobicContact CE1-CE2 3.65Å; Y326-I328 WeakPolarHBondContact O-CG1 3.41Å; Y326-I328 PolarHBondContact O-N 3.36Å
327	D	35.9	Very low	46.8	Very low	112 Å²	112	91.6 Å²	91.6	60%	0.599	42%	0.424	S	S	*	.			trans	-65.5	78.6	168.1	-164	9.3	0	0	0	107.7	R329	D327-R329 PolarHBondContact O-N 2.92Å; D327-R329 WeakPolarHBondContact OD1-CD 3.45Å; D327-R329 VanDerWaalsContact OD1-CG 3.24Å; D327-R329 WeakPolarHBondContact OD1-CG 3.46Å; D327-R329 IonicContact OD1-NE 3.86Å
328	I	41.1	Very low	49.4	Very low	37 Å²	37	86.6 Å²	86.6	19%	0.19	40%	0.398	C	S	.	.			trans	-75.6	50.7	171.7	-46	173.2	0	0	0	107.6	F289 Y326 W332	F289-I328 HydrophobicContact CE2-CB 4.37Å; F289-I328 WeakPolarHBondContact CE2-O 3.25Å; Y326-I328 WeakPolarHBondContact O-CG1 3.41Å; Y326-I328 PolarHBondContact O-N 3.36Å; I328-W332 HydrophobicContact CB-CE3 4.38Å; I328-W332 HydrophobicContact CB-CH2 4.12Å; I328-W332 HydrophobicContact CB-CZ3 3.9Å; I328-W332 HydrophobicContact CD1-CE3 4.48Å; I328-W332 HydrophobicContact CD1-CH2 4.17Å; I328-W332 HydrophobicContact CD1-CZ3 3.6Å; I328-W332 HydrophobicContact CG1-CE3 4.36Å; I328-W332 HydrophobicContact CG1-CH2 3.58Å; I328-W332 HydrophobicContact CG1-CZ3 3.44Å; I328-W332 VanDerWaalsContact CG1-CZ3 3.44Å; I328-W332 HydrophobicContact CG2-CD2 3.86Å; I328-W332 HydrophobicContact CG2-CE3 3.24Å; I328-W332 HydrophobicContact CG2-CH2 3.78Å; I328-W332 HydrophobicContact CG2-CZ2 4.32Å; I328-W332 HydrophobicContact CG2-CZ3 3.22Å
329	R	36.3	Very low	51.9	Low	204 Å²	204	84.1 Å²	84.1	77%	0.77	38%	0.38	S	S	*	.			trans	-76.2	-2.7	155.3	-84.4	179.4	-173	-156.9	3.3	111.4	D327 N331	D327-R329 PolarHBondContact O-N 2.92Å; D327-R329 WeakPolarHBondContact OD1-CD 3.45Å; D327-R329 VanDerWaalsContact OD1-CG 3.24Å; D327-R329 WeakPolarHBondContact OD1-CG 3.46Å; D327-R329 IonicContact OD1-NE 3.86Å; R329-N331 PolarHBondContact O-N 3.48Å
330	N	38.4	Very low	54.4	Low	43 Å²	43	78.2 Å²	78.2	23%	0.23	36%	0.357	C	S	.	.	S	Bend	trans	-77.5	122.6	175.5	-77.5	-19.9	0	0	0	110.5	D182 W332	D182-N330 PolarHBondContact OD1-ND2 3.15Å; D182-N330 PolarHBondContact OD1-OD1 2.87Å; D182-N330 VanDerWaalsContact OD1-OD1 3.06Å; N330-W332 HydrophobicContact CB-CD2 4.35Å; N330-W332 HydrophobicContact CB-CG 4.42Å; N330-W332 HydrophobicContact CB-CZ2 3.97Å; N330-W332 PolarHBondContact O-N 3.18Å
331	N	44.4	Very low	57	Low	152 Å²	152	71.9 Å²	71.9	81%	0.813	33%	0.328	S	S	*	.			trans	-59.7	63.3	177.1	-68.3	-41.7	0	0	0	112.1	R329 K333	R329-N331 PolarHBondContact O-N 3.48Å; N331-K333 PolarHBondContact O-N 3.07Å
332	W	53.5	Low	59.5	Low	52 Å²	52	67.1 Å²	67.1	20%	0.197	30%	0.302	C	S	.	.			trans	-78.3	95	178.8	-59.4	-25.8	0	0	0	109.2	W179 N180 I328 N330 R334	W179-W332 AromaticContact CE3-CD2 3.88Å; W179-W332 HydrophobicContact CE3-CD2 3.88Å; W179-W332 AromaticContact CE3-CE3 3.67Å; W179-W332 HydrophobicContact CE3-CE3 3.67Å; W179-W332 HydrophobicContact CE3-CG 4.49Å; W179-W332 HydrophobicContact CE3-CH2 4.24Å; W179-W332 HydrophobicContact CE3-CZ2 4.44Å; W179-W332 AromaticContact CE3-CZ3 3.83Å; W179-W332 HydrophobicContact CE3-CZ3 3.83Å; W179-W332 HydrophobicContact CZ3-CD2 4.27Å; W179-W332 AromaticContact CZ3-CE3 3.61Å; W179-W332 HydrophobicContact CZ3-CE3 3.61Å; W179-W332 AromaticContact CZ3-CZ3 3.74Å; W179-W332 HydrophobicContact CZ3-CZ3 3.74Å; N180-W332 PolarHBondContact O-NE1 3.19Å; I328-W332 HydrophobicContact CB-CE3 4.38Å; I328-W332 HydrophobicContact CB-CH2 4.12Å; I328-W332 HydrophobicContact CB-CZ3 3.9Å; I328-W332 HydrophobicContact CD1-CE3 4.48Å; I328-W332 HydrophobicContact CD1-CH2 4.17Å; I328-W332 HydrophobicContact CD1-CZ3 3.6Å; I328-W332 HydrophobicContact CG1-CE3 4.36Å; I328-W332 HydrophobicContact CG1-CH2 3.58Å; I328-W332 HydrophobicContact CG1-CZ3 3.44Å; I328-W332 VanDerWaalsContact CG1-CZ3 3.44Å; I328-W332 HydrophobicContact CG2-CD2 3.86Å; I328-W332 HydrophobicContact CG2-CE3 3.24Å; I328-W332 HydrophobicContact CG2-CH2 3.78Å; I328-W332 HydrophobicContact CG2-CZ2 4.32Å; I328-W332 HydrophobicContact CG2-CZ3 3.22Å; N330-W332 HydrophobicContact CB-CD2 4.35Å; N330-W332 HydrophobicContact CB-CG 4.42Å; N330-W332 HydrophobicContact CB-CZ2 3.97Å; N330-W332 PolarHBondContact O-N 3.18Å; W332-R334 PolarHBondContact O-N 2.85Å; W332-R334 VanDerWaalsContact O-N 3.08Å
333	K	57.7	Low	62.1	Low	99 Å²	99	64 Å²	64	43%	0.43	29%	0.291	S	S	.	.			trans	-76.3	94.4	170.2	-70.8	-174.9	-179	-179.7	0	108.9	G250 N331	G250-K333 PolarHBondContact N-O 2.83Å; G250-K333 VanDerWaalsContact N-O 3.12Å; N331-K333 PolarHBondContact O-N 3.07Å
334	R	67.7	Low	64.8	Low	24 Å²	24	60.9 Å²	60.9	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.5	161.5	175.8	172.5	166.3	-152.3	0.1	108.4	Y212 H247 T248 E286 W332	Y212-R334 VanDerWaalsContact CD1-NH1 3.26Å; Y212-R334 PolarHBondContact OH-NH2 2.71Å; H247-R334 PolarHBondContact CE1-NH2 2.84Å; H247-R334 PolarHBondContact ND1-NH2 3.41Å; T248-R334 WeakPolarHBondContact O-CA 3.47Å; E286-R334 HydrophobicContact CB-CB 4.23Å; E286-R334 PolarHBondContact N-O 3.5Å; E286-R334 IonicContact OE1-CZ 2.85Å; E286-R334 IonicContact OE1-NH2 3.22Å; E286-R334 WeakPolarHBondContact OE2-CD 3.41Å; E286-R334 IonicContact OE2-CZ 2.97Å; E286-R334 IonicContact OE2-NE 3.97Å; E286-R334 PolarHBondContact OE2-NE 3.09Å; E286-R334 IonicContact OE2-NH1 2.72Å; E286-R334 PolarHBondContact OE2-NH1 3Å; E286-R334 IonicContact OE2-NH2 3.03Å; W332-R334 PolarHBondContact O-N 2.85Å; W332-R334 VanDerWaalsContact O-N 3.08Å
335	R	74.1	Confident	67.3	Low	44 Å²	44	56.7 Å²	56.7	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.9	179	-159.7	171.4	-121.4	167.5	2.8	109.4	T248 D253 I283 D285 W337	T248-R335 PolarHBondContact N-O 2.77Å; T248-R335 PolarHBondContact O-N 2.8Å; T248-R335 PolarHBondContact OG1-O 2.75Å; D253-R335 IonicContact OD1-CZ 3.65Å; D253-R335 IonicContact OD1-NH1 3.53Å; D253-R335 PolarHBondContact OD1-NH1 3.18Å; D253-R335 IonicContact OD1-NH2 3.25Å; I283-R335 HydrophobicContact CG2-CG 4.32Å; D285-R335 WeakPolarHBondContact OD1-CD 3.25Å; D285-R335 WeakPolarHBondContact OD1-CG 3.41Å; D285-R335 IonicContact OD1-CZ 3Å; D285-R335 IonicContact OD1-NE 3.74Å; D285-R335 PolarHBondContact OD1-NE 2.91Å; D285-R335 IonicContact OD1-NH2 3.41Å; D285-R335 PolarHBondContact OD1-NH2 2.83Å; D285-R335 IonicContact OD2-CZ 2.67Å; D285-R335 IonicContact OD2-NE 3.84Å; D285-R335 IonicContact OD2-NH2 2.71Å; D285-R335 PolarHBondContact OD2-NH2 3.43Å; R335-W337 HydrophobicContact CG-CZ2 4.14Å
336	R	81.3	Confident	69.8	Low	32 Å²	32	50.7 Å²	50.7	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142	171.9	-61	-167.6	-70.7	-164.2	-13.4	109.6	H209 H247 I283 S284 E286	H209-R336 PolarHBondContact CE1-NH1 3.47Å; H209-R336 PolarHBondContact CE1-NH2 2.86Å; H209-R336 PolarHBondContact NE2-NH1 3.32Å; H209-R336 PolarHBondContact NE2-NH2 3.14Å; H247-R336 WeakPolarHBondContact NE2-CD 3.46Å; H247-R336 WeakPolarHBondContact NE2-CG 3.41Å; I283-R336 VanDerWaalsContact CA-O 3.31Å; I283-R336 WeakPolarHBondContact CA-O 3.44Å; S284-R336 PolarHBondContact N-O 3.35Å; S284-R336 PolarHBondContact O-N 3.01Å; S284-R336 VanDerWaalsContact OG-CZ 3.24Å; S284-R336 PolarHBondContact OG-NE 3.05Å; S284-R336 PolarHBondContact OG-NH2 3.22Å; E286-R336 HydrophobicContact CG-CG 4.32Å; E286-R336 VanDerWaalsContact OE1-CD 3.29Å; E286-R336 WeakPolarHBondContact OE1-CD 3.38Å; E286-R336 IonicContact OE1-CZ 3.55Å; E286-R336 IonicContact OE1-NE 2.75Å
337	W	86.5	Confident	72.6	Confident	10 Å²	10	49.5 Å²	49.5	4%	0.038	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	47.3	179.8	-61	97.8	0	0	0	109.1	C246 T248 I257 W259 L281 I283 R335	C246-W337 HydrophobicContact CB-CB 4.4Å; C246-W337 CarbonylContact O-C 3.53Å; C246-W337 WeakPolarHBondContact O-CA 3.4Å; C246-W337 WeakPolarHBondContact O-CB 3.29Å; C246-W337 PolarHBondContact O-N 2.62Å; T248-W337 PolarHBondContact OG1-NE1 3.01Å; I257-W337 HydrophobicContact CB-CD2 4.04Å; I257-W337 HydrophobicContact CB-CE3 4.24Å; I257-W337 HydrophobicContact CB-CG 4.33Å; I257-W337 HydrophobicContact CB-CZ2 4.49Å; I257-W337 HydrophobicContact CG1-CD2 3.76Å; I257-W337 VanDerWaalsContact CG1-CE2 3.5Å; I257-W337 HydrophobicContact CG1-CE3 4.41Å; I257-W337 HydrophobicContact CG1-CG 3.92Å; I257-W337 HydrophobicContact CG1-CZ2 3.89Å; I257-W337 HydrophobicContact CG2-CB 4.09Å; I257-W337 HydrophobicContact CG2-CD2 4.24Å; I257-W337 HydrophobicContact CG2-CE3 4.47Å; I257-W337 HydrophobicContact CG2-CG 4.11Å; W259-W337 PolarHBondContact NE1-O 3.06Å; L281-W337 HydrophobicContact CD2-CE3 4.22Å; I283-W337 HydrophobicContact CD1-CE3 3.87Å; I283-W337 HydrophobicContact CD1-CZ3 3.55Å; I283-W337 HydrophobicContact CG1-CE3 3.79Å; I283-W337 HydrophobicContact CG1-CZ3 3.99Å; I283-W337 HydrophobicContact CG2-CE3 4.23Å; I283-W337 HydrophobicContact CG2-CZ3 4.19Å; R335-W337 HydrophobicContact CG-CZ2 4.14Å
338	D	86.3	Confident	75.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132	-170.1	-57.5	-27.7	0	0	0	110.8	Y243 P245 C246 H247 N282	Y243-D338 HydrophobicContact CE2-CB 3.7Å; Y243-D338 PolarHBondContact OH-OD2 3.08Å; P245-D338 VanDerWaalsContact CA-OD1 3.28Å; P245-D338 WeakPolarHBondContact CA-OD1 3.45Å; C246-D338 PolarHBondContact N-OD1 3.13Å; H247-D338 IonicContact CD2-OD1 3.98Å; H247-D338 PolarHBondContact CD2-OD1 2.77Å; H247-D338 IonicContact NE2-OD1 3.85Å; H247-D338 PolarHBondContact NE2-OD1 2.8Å; H247-D338 VanDerWaalsContact NE2-OD1 3.17Å; H247-D338 IonicContact NE2-OD2 2.71Å; H247-D338 PolarHBondContact NE2-OD2 3.34Å; N282-D338 HydrophobicContact CB-CB 4.39Å; N282-D338 PolarHBondContact N-O 2.85Å; N282-D338 PolarHBondContact O-N 3.23Å; N282-D338 VanDerWaalsContact O-N 3.12Å
339	L	91.7	Very high	77.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	173.8	177.6	63.9	0	0	0	109.6	L244 W259 L266 F267 F279 I341 Y352	L244-L339 HydrophobicContact CB-CB 4.17Å; L244-L339 HydrophobicContact CD1-CB 4.39Å; L244-L339 HydrophobicContact CD1-CD2 3.84Å; L244-L339 HydrophobicContact CD1-CG 4.2Å; L244-L339 PolarHBondContact N-O 3.21Å; L244-L339 PolarHBondContact O-N 3.03Å; W259-L339 HydrophobicContact CD2-CB 3.78Å; W259-L339 HydrophobicContact CD2-CD2 3.94Å; W259-L339 HydrophobicContact CD2-CG 4.44Å; W259-L339 HydrophobicContact CE3-CB 4Å; W259-L339 HydrophobicContact CE3-CD2 3.56Å; W259-L339 HydrophobicContact CE3-CG 4.42Å; W259-L339 HydrophobicContact CG-CB 4.4Å; W259-L339 HydrophobicContact CG-CD2 4.47Å; W259-L339 HydrophobicContact CH2-CB 3.82Å; W259-L339 HydrophobicContact CZ2-CB 3.58Å; W259-L339 HydrophobicContact CZ3-CB 4.03Å; W259-L339 HydrophobicContact CZ3-CD2 3.89Å; L266-L339 HydrophobicContact CD1-CD2 3.69Å; F267-L339 HydrophobicContact CD2-CD1 4.19Å; F267-L339 HydrophobicContact CE2-CD1 3.76Å; F279-L339 HydrophobicContact CD1-CD1 4.47Å; L339-I341 HydrophobicContact CG-CG1 4.41Å; L339-Y352 HydrophobicContact CD2-CD1 3.84Å; L339-Y352 HydrophobicContact CD2-CE1 4.47Å
340	I	90.1	Very high	80.7	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.6	176.4	-59.4	168.5	0	0	0	108	A242 Y243 F279 R280 N282 Y546	A242-I340 WeakPolarHBondContact O-CA 3.49Å; Y243-I340 HydrophobicContact CD2-CG1 4.04Å; F279-I340 WeakPolarHBondContact CA-O 3.1Å; R280-I340 HydrophobicContact CB-CB 4.37Å; R280-I340 PolarHBondContact N-O 3.45Å; R280-I340 PolarHBondContact O-N 2.98Å; N282-I340 HydrophobicContact CB-CD1 3.84Å; I340-Y546 HydrophobicContact CD1-CD1 3.59Å; I340-Y546 HydrophobicContact CD1-CE1 3.91Å; I340-Y546 HydrophobicContact CD1-CG 4.28Å; I340-Y546 HydrophobicContact CG1-CD1 4.37Å; I340-Y546 HydrophobicContact CG2-CD1 4.43Å; I340-Y546 HydrophobicContact CG2-CG 4.1Å
341	I	92.8	Very high	83.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105.5	172.9	-47.1	172	0	0	0	107.2	N241 A242 L244 R278 F279 L339 I344 Y352	N241-I341 CarbonylContact C-O 3.53Å; N241-I341 WeakPolarHBondContact CA-O 3.26Å; A242-I341 HydrophobicContact CB-CB 4.15Å; A242-I341 HydrophobicContact CB-CD1 4.44Å; A242-I341 HydrophobicContact CB-CG1 4.49Å; A242-I341 PolarHBondContact N-O 3.45Å; A242-I341 PolarHBondContact O-N 2.64Å; L244-I341 HydrophobicContact CD1-CD1 4.39Å; R278-I341 WeakPolarHBondContact O-CA 3.47Å; F279-I341 HydrophobicContact CD1-CD1 4.07Å; F279-I341 HydrophobicContact CD1-CG1 3.75Å; F279-I341 HydrophobicContact CD1-CG2 4.29Å; F279-I341 HydrophobicContact CE1-CB 4.46Å; F279-I341 HydrophobicContact CE1-CD1 3.55Å; F279-I341 HydrophobicContact CE1-CG1 3.7Å; F279-I341 HydrophobicContact CE1-CG2 3.94Å; F279-I341 HydrophobicContact CE2-CG2 4.3Å; F279-I341 HydrophobicContact CZ-CD1 4.35Å; F279-I341 HydrophobicContact CZ-CG2 3.95Å; L339-I341 HydrophobicContact CG-CG1 4.41Å; I341-I344 HydrophobicContact CD1-CD1 4.49Å; I341-I344 HydrophobicContact CG2-CG1 4.37Å; I341-Y352 HydrophobicContact CD1-CD1 4.4Å; I341-Y352 HydrophobicContact CD1-CE1 3.74Å; I341-Y352 HydrophobicContact CD1-CE2 4.32Å
342	D	90	Very high	85.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-74.6	137.1	177.4	-66.6	-48	0	0	0	110.6	N241 R278 R280 R545 Y546	N241-D342 WeakPolarHBondContact OD1-CA 2.9Å; R278-D342 WeakPolarHBondContact CB-O 3.16Å; R278-D342 WeakPolarHBondContact CD-O 3.44Å; R278-D342 PolarHBondContact O-N 2.77Å; R280-D342 IonicContact CZ-OD1 3.4Å; R280-D342 IonicContact CZ-OD2 2.77Å; R280-D342 IonicContact NE-OD1 3.52Å; R280-D342 IonicContact NE-OD2 3.84Å; R280-D342 PolarHBondContact NE-OD2 2.97Å; R280-D342 VanDerWaalsContact NH2-CG 3.34Å; R280-D342 IonicContact NH2-OD1 3.9Å; R280-D342 PolarHBondContact NH2-OD1 3.16Å; R280-D342 IonicContact NH2-OD2 3.18Å; R280-D342 PolarHBondContact NH2-OD2 2.97Å; D342-R545 HydrophobicContact CB-CG 4.27Å; D342-R545 WeakPolarHBondContact OD2-CD 3.37Å; D342-R545 IonicContact OD2-NE 3.54Å; D342-Y546 PolarHBondContact OD1-N 3.42Å; D342-Y546 VanDerWaalsContact OD1-N 3.07Å
343	F	90.6	Very high	87.6	Confident	21 Å²	21	30.1 Å²	30.1	9%	0.092	16%	0.159	C	C	.	.	S	Bend	trans	51.6	63	175.1	-41.3	-54.8	0	0	0	113.8	E240 N241 R278 L392 T394 R543 K544 R545	E240-F343 CarbonylContact O-C 3.52Å; E240-F343 WeakPolarHBondContact O-CA 3.49Å; E240-F343 PolarHBondContact O-N 3.05Å; N241-F343 PolarHBondContact OD1-N 2.72Å; N241-F343 VanDerWaalsContact OD1-N 3.15Å; R278-F343 PolarHBondContact NH1-O 3.45Å; F343-L392 HydrophobicContact CB-CD1 4.43Å; F343-L392 HydrophobicContact CB-CD2 3.85Å; F343-L392 HydrophobicContact CD1-CD1 4.36Å; F343-L392 HydrophobicContact CG-CD2 4.43Å; F343-T394 HydrophobicContact CD1-CG2 3.93Å; F343-T394 HydrophobicContact CD2-CG2 3.72Å; F343-T394 HydrophobicContact CE1-CG2 3.79Å; F343-T394 HydrophobicContact CE2-CG2 3.56Å; F343-T394 HydrophobicContact CG-CG2 3.89Å; F343-T394 HydrophobicContact CZ-CG2 3.59Å; F343-R543 HydrophobicContact CD1-CB 3.76Å; F343-R543 HydrophobicContact CE1-CB 3.56Å; F343-K544 WeakPolarHBondContact CE1-O 3.4Å; F343-R545 HydrophobicContact CE2-CG 3.78Å; F343-R545 HydrophobicContact CZ-CG 3.66Å
344	I	91.2	Very high	89.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.			trans	-63.8	145.8	-175.7	-157.2	168.9	0	0	0	112.4	T238 G239 E240 A242 I341 D348 V368 V370	T238-I344 CarbonylContact C-O 3.59Å; T238-I344 WeakPolarHBondContact CA-O 3.34Å; G239-I344 PolarHBondContact N-O 3.07Å; E240-I344 HydrophobicContact CB-CG2 4.46Å; E240-I344 WeakPolarHBondContact O-CG2 3.39Å; E240-I344 PolarHBondContact O-N 2.89Å; A242-I344 HydrophobicContact CB-CD1 3.76Å; I341-I344 HydrophobicContact CD1-CD1 4.49Å; I341-I344 HydrophobicContact CG2-CG1 4.37Å; I344-D348 HydrophobicContact CD1-CB 3.96Å; I344-D348 HydrophobicContact CG1-CB 3.44Å; I344-D348 VanDerWaalsContact CG1-CB 3.44Å; I344-V368 HydrophobicContact CD1-CG1 3.75Å; I344-V370 HydrophobicContact CB-CG2 4.46Å; I344-V370 HydrophobicContact CD1-CG2 3.36Å; I344-V370 HydrophobicContact CG1-CG1 4.49Å; I344-V370 HydrophobicContact CG1-CG2 3.58Å; I344-V370 HydrophobicContact CG2-CG1 3.86Å; I344-V370 HydrophobicContact CG2-CG2 4.12Å
345	T	91.8	Very high	90.2	Very high	39 Å²	39	25.9 Å²	25.9	24%	0.239	14%	0.142	C	C	.	.			trans	-121.9	164.3	-179	69.4	0	0	0	0	111.2	T347 D348 V370	T345-T347 PolarHBondContact O-N 3.35Å; T345-T347 VanDerWaalsContact O-N 3.09Å; T345-T347 PolarHBondContact OG1-OG1 3.45Å; T345-D348 PolarHBondContact N-OD2 3.15Å; T345-D348 WeakPolarHBondContact O-CB 3.16Å; T345-D348 PolarHBondContact O-N 2.86Å; T345-D348 PolarHBondContact OG1-OD2 3.36Å; T345-V370 WeakPolarHBondContact O-CB 3.44Å; T345-V370 WeakPolarHBondContact O-CG1 3.35Å
346	P	90.9	Very high	90.7	Very high	57 Å²	57	23.8 Å²	23.8	37%	0.37	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-53.6	-32.1	176.5	-29.1	37.6	0	0	0	113.8	T238 D348 S349 E372	T238-P346 WeakPolarHBondContact OG1-CD 3.24Å; P346-D348 PolarHBondContact O-N 2.93Å; P346-S349 VanDerWaalsContact O-CB 3.31Å; P346-S349 WeakPolarHBondContact O-CB 3.27Å; P346-S349 PolarHBondContact O-N 3.15Å; P346-S349 VanDerWaalsContact O-N 3.16Å; P346-S349 PolarHBondContact O-OG 2.86Å; P346-E372 HydrophobicContact CG-CG 4.18Å
347	T	91.6	Very high	90.6	Very high	111 Å²	111	26.5 Å²	26.5	68%	0.681	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-70.2	-14.7	177.7	69.2	0	0	0	0	114.2	K261 T345 S349	K261-T347 PolarHBondContact NZ-O 2.79Å; K261-T347 VanDerWaalsContact NZ-O 3.07Å; T345-T347 PolarHBondContact O-N 3.35Å; T345-T347 VanDerWaalsContact O-N 3.09Å; T345-T347 PolarHBondContact OG1-OG1 3.45Å; T347-S349 VanDerWaalsContact C-N 3.3Å
348	D	93.8	Very high	89.9	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.027	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-86.1	-4.5	175	-57.9	-53.9	0	0	0	112.2	R278 I344 T345 P346 D350 Y352	R278-D348 IonicContact CZ-OD1 2.6Å; R278-D348 IonicContact CZ-OD2 3.17Å; R278-D348 IonicContact NH1-OD1 3.44Å; R278-D348 IonicContact NH1-OD2 3.16Å; R278-D348 PolarHBondContact NH1-OD2 3.5Å; R278-D348 IonicContact NH2-OD1 3.59Å; R278-D348 PolarHBondContact NH2-OD1 2.93Å; R278-D348 IonicContact NH2-OD2 3.75Å; R278-D348 PolarHBondContact NH2-OD2 3.49Å; I344-D348 HydrophobicContact CD1-CB 3.96Å; I344-D348 HydrophobicContact CG1-CB 3.44Å; I344-D348 VanDerWaalsContact CG1-CB 3.44Å; T345-D348 PolarHBondContact N-OD2 3.15Å; T345-D348 WeakPolarHBondContact O-CB 3.16Å; T345-D348 PolarHBondContact O-N 2.86Å; T345-D348 PolarHBondContact OG1-OD2 3.36Å; P346-D348 PolarHBondContact O-N 2.93Å; D348-D350 PolarHBondContact O-N 3.07Å; D348-Y352 VanDerWaalsContact O-CE2 3.31Å; D348-Y352 WeakPolarHBondContact O-CE2 3.3Å; D348-Y352 PolarHBondContact O-OH 2.85Å
349	S	94.5	Very high	88.9	Confident	46 Å²	46	36.2 Å²	36.2	32%	0.322	21%	0.205	S	C	.	.			trans	-64.9	113.7	173.6	-54.2	0	0	0	0	110.2	P346 T347 V368 V370	P346-S349 VanDerWaalsContact O-CB 3.31Å; P346-S349 WeakPolarHBondContact O-CB 3.27Å; P346-S349 PolarHBondContact O-N 3.15Å; P346-S349 VanDerWaalsContact O-N 3.16Å; P346-S349 PolarHBondContact O-OG 2.86Å; T347-S349 VanDerWaalsContact C-N 3.3Å; S349-V368 CarbonylContact C-O 3.51Å; S349-V368 VanDerWaalsContact CA-O 3.23Å; S349-V368 WeakPolarHBondContact CA-O 3.44Å; S349-V370 WeakPolarHBondContact OG-CB 3.4Å; S349-V370 PolarHBondContact OG-N 3.37Å
350	D	95.2	Very high	87.6	Confident	58 Å²	58	37.3 Å²	37.3	31%	0.31	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	-179.2	-178.8	-149.6	-23.2	0	0	0	110.2	K261 D348 Y352 V368	K261-D350 HydrophobicContact CD-CB 4.31Å; K261-D350 WeakPolarHBondContact CE-OD2 3.34Å; K261-D350 HydrophobicContact CG-CB 3.8Å; K261-D350 WeakPolarHBondContact CG-OD2 3.33Å; D348-D350 PolarHBondContact O-N 3.07Å; D350-Y352 HydrophobicContact CB-CE2 4.15Å; D350-V368 PolarHBondContact N-O 3.04Å; D350-V368 VanDerWaalsContact N-O 3.09Å; D350-V368 PolarHBondContact O-N 3.38Å
351	I	94	Very high	86.7	Confident	67 Å²	67	41.4 Å²	41.4	34%	0.344	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.8	168	-61.1	171.7	0	0	0	108.9	K261 G262 S365 Y366	K261-I351 CarbonylContact C-O 3.55Å; G262-I351 PolarHBondContact N-O 3.25Å; I351-S365 WeakPolarHBondContact CG2-OG 3.44Å; I351-Y366 CarbonylContact C-O 3.53Å; I351-Y366 WeakPolarHBondContact CA-O 3.36Å
352	Y	95.2	Very high	86	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.5	172.5	-64.7	-96.3	0	0	0	109.9	L244 E260 K261 L266 F279 L339 I341 D348 D350 S365 Y366 V368	L244-Y352 HydrophobicContact CD1-CD1 4.32Å; L244-Y352 HydrophobicContact CD1-CD2 4.32Å; L244-Y352 HydrophobicContact CD1-CG 3.91Å; E260-Y352 CarbonylContact O-C 3.53Å; E260-Y352 VanDerWaalsContact O-CA 3.23Å; E260-Y352 WeakPolarHBondContact O-CA 3.5Å; K261-Y352 HydrophobicContact CB-CD1 3.99Å; K261-Y352 HydrophobicContact CB-CE1 3.76Å; K261-Y352 HydrophobicContact CD-CE1 3.81Å; K261-Y352 WeakPolarHBondContact CD-OH 3.42Å; K261-Y352 WeakPolarHBondContact CE-OH 3.22Å; K261-Y352 HydrophobicContact CG-CD1 4.18Å; K261-Y352 HydrophobicContact CG-CE1 3.63Å; K261-Y352 HydrophobicContact CG-CE2 4.48Å; L266-Y352 HydrophobicContact CD1-CD1 3.85Å; L266-Y352 HydrophobicContact CD1-CE1 4Å; F279-Y352 AromaticContact CE1-CE1 3.9Å; F279-Y352 HydrophobicContact CE1-CE1 3.9Å; L339-Y352 HydrophobicContact CD2-CD1 3.84Å; L339-Y352 HydrophobicContact CD2-CE1 4.47Å; I341-Y352 HydrophobicContact CD1-CD1 4.4Å; I341-Y352 HydrophobicContact CD1-CE1 3.74Å; I341-Y352 HydrophobicContact CD1-CE2 4.32Å; D348-Y352 VanDerWaalsContact O-CE2 3.31Å; D348-Y352 WeakPolarHBondContact O-CE2 3.3Å; D348-Y352 PolarHBondContact O-OH 2.85Å; D350-Y352 HydrophobicContact CB-CE2 4.15Å; Y352-S365 CarbonylContact O-C 3.57Å; Y352-S365 WeakPolarHBondContact O-CA 3.29Å; Y352-Y366 PolarHBondContact N-O 2.91Å; Y352-Y366 PolarHBondContact O-N 3.4Å; Y352-V368 HydrophobicContact CD2-CB 3.86Å; Y352-V368 HydrophobicContact CD2-CG2 3.52Å; Y352-V368 HydrophobicContact CE2-CB 3.83Å; Y352-V368 HydrophobicContact CE2-CG1 4.35Å; Y352-V368 HydrophobicContact CE2-CG2 3.92Å
353	T	92.3	Very high	85.8	Confident	16 Å²	16	45.8 Å²	45.8	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.8	-177.6	-49.7	0	0	0	0	110	W259 E260 M355 M363 I364	W259-T353 CarbonylContact C-O 3.56Å; W259-T353 VanDerWaalsContact CA-O 3.3Å; W259-T353 WeakPolarHBondContact CA-O 3.37Å; E260-T353 PolarHBondContact N-O 2.66Å; E260-T353 PolarHBondContact O-N 2.7Å; T353-M355 HydrophobicContact CG2-CG 3.59Å; T353-M355 HydrophobicContact CG2-SD 4.25Å; T353-M363 HydrophobicContact CG2-CB 4.07Å; T353-M363 HydrophobicContact CG2-SD 4.21Å; T353-I364 CarbonylContact C-O 3.4Å; T353-I364 VanDerWaalsContact CA-O 3.25Å; T353-I364 WeakPolarHBondContact CA-O 3.19Å; T353-I364 WeakPolarHBondContact CG2-O 2.85Å
354	C	91.1	Very high	85.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.9	164.1	-174.2	0	0	0	0	108.3	C246 I258 W259 M363 I364	C246-C354 HydrophobicContact CB-CB 3.75Å; C246-C354 WeakPolarHBondContact CB-SG 3.35Å; C246-C354 WeakPolarHBondContact SG-CB 3.42Å; C246-C354 CovalentContact SG-SG 2.04Å; C246-C354 PolarHBondContact SG-SG 3.33Å; I258-C354 CarbonylContact O-C 3.53Å; I258-C354 WeakPolarHBondContact O-CA 3.19Å; W259-C354 HydrophobicContact CD2-CB 3.98Å; W259-C354 HydrophobicContact CE3-CB 4.05Å; W259-C354 HydrophobicContact CH2-CB 3.77Å; W259-C354 HydrophobicContact CZ2-CB 3.68Å; W259-C354 HydrophobicContact CZ3-CB 3.94Å; C354-M363 CarbonylContact O-C 3.54Å; C354-M363 WeakPolarHBondContact O-CA 3.35Å; C354-M363 WeakPolarHBondContact O-CB 3.31Å; C354-I364 PolarHBondContact N-O 2.76Å; C354-I364 PolarHBondContact O-N 3.4Å
355	M	88.6	Confident	85.5	Confident	34 Å²	34	45.6 Å²	45.6	17%	0.167	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.3	179.9	-56.2	-170.7	-72.1	0	0	110.3	I257 I258 E260 T353 Q362 M363	I257-M355 CarbonylContact C-O 3.51Å; I257-M355 VanDerWaalsContact CA-O 3.28Å; I257-M355 WeakPolarHBondContact CA-O 3Å; I258-M355 HydrophobicContact CB-CB 4.37Å; I258-M355 HydrophobicContact CB-CE 4Å; I258-M355 HydrophobicContact CD1-CE 4.42Å; I258-M355 HydrophobicContact CG2-CE 3.98Å; I258-M355 PolarHBondContact N-O 3.06Å; I258-M355 PolarHBondContact O-N 3.19Å; E260-M355 HydrophobicContact CG-CE 3.92Å; E260-M355 WeakPolarHBondContact OE1-CE 3.49Å; E260-M355 VanDerWaalsContact OE2-CE 3.27Å; E260-M355 WeakPolarHBondContact OE2-CE 3.29Å; T353-M355 HydrophobicContact CG2-CG 3.59Å; T353-M355 HydrophobicContact CG2-SD 4.25Å; M355-Q362 WeakPolarHBondContact CA-O 3.39Å; M355-M363 HydrophobicContact CB-CB 4.36Å; M355-M363 HydrophobicContact CG-CB 3.8Å
356	L	85.2	Confident	85.5	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.4	165.1	171.9	67.5	0	0	0	107.4	P188 I190 E255 I257 S361 Q362	P188-L356 HydrophobicContact CB-CD2 4.11Å; P188-L356 HydrophobicContact CG-CD2 4.47Å; I190-L356 HydrophobicContact CD1-CB 3.76Å; I190-L356 HydrophobicContact CG1-CB 3.72Å; I190-L356 HydrophobicContact CG1-CD2 4.22Å; E255-L356 HydrophobicContact CB-CD1 3.81Å; E255-L356 HydrophobicContact CG-CD1 4.48Å; I257-L356 HydrophobicContact CD1-CB 3.83Å; I257-L356 HydrophobicContact CD1-CD1 3.46Å; I257-L356 VanDerWaalsContact CD1-CD1 3.46Å; I257-L356 HydrophobicContact CD1-CG 4.22Å; L356-S361 WeakPolarHBondContact O-CA 3.44Å; L356-Q362 PolarHBondContact N-O 2.89Å; L356-Q362 PolarHBondContact O-N 3.01Å
357	M	79.1	Confident	85.6	Confident	88 Å²	88	45.1 Å²	45.1	43%	0.433	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.8	177	-60.2	-144.6	79.4	0	0	110.4	T256 I258	T256-M357 PolarHBondContact N-O 2.85Å; T256-M357 PolarHBondContact O-N 2.83Å; I258-M357 HydrophobicContact CD1-CG 3.87Å; I258-M357 HydrophobicContact CD1-SD 3.57Å; I258-M357 VanDerWaalsContact CD1-SD 3.57Å; I258-M357 HydrophobicContact CG1-CG 4.35Å
358	G	72.8	Confident	85.7	Confident	59 Å²	59	39.8 Å²	39.8	61%	0.608	22%	0.22	S	C	*	.	S	Bend	trans	151.7	-129.2	-179.6	0	0	0	0	0	109.9	T360	G358-T360 PolarHBondContact N-O 3.49Å; G358-T360 PolarHBondContact O-N 2.68Å
359	R	64.6	Low	85.6	Confident	155 Å²	155	42.2 Å²	42.2	59%	0.585	23%	0.233	S	C	*	.	S	Bend	trans	-65.6	-24.5	176.4	-62.5	177.9	-178.1	139.7	-7.1	112.7	I187 E255	I187-R359 HydrophobicContact CG2-CB 3.99Å; E255-R359 IonicContact OE1-NH1 3.68Å
360	T	65.1	Low	85.5	Confident	23 Å²	23	40.5 Å²	40.5	14%	0.141	22%	0.22	C	C	.	.			trans	-121.6	148.6	171.8	35.5	0	0	0	0	110.6	I187 P188 G358	I187-T360 HydrophobicContact CB-CG2 4.38Å; I187-T360 HydrophobicContact CG2-CG2 3.25Å; P188-T360 PolarHBondContact O-OG1 3.44Å; G358-T360 PolarHBondContact N-O 3.49Å; G358-T360 PolarHBondContact O-N 2.68Å
361	S	71.1	Confident	85.3	Confident	90 Å²	90	41.9 Å²	41.9	63%	0.629	23%	0.228	S	C	*	.			trans	-114.1	102.8	165.8	-178.9	0	0	0	0	107.2	L356	L356-S361 WeakPolarHBondContact O-CA 3.44Å
362	Q	77.6	Confident	84.7	Confident	28 Å²	28	46.3 Å²	46.3	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.9	174.2	-69.1	-177.2	-4.7	0	0	108.7	I190 F223 M355 L356	I190-Q362 HydrophobicContact CB-CB 4.45Å; I190-Q362 HydrophobicContact CD1-CB 4.02Å; I190-Q362 VanDerWaalsContact CD1-O 3.3Å; I190-Q362 WeakPolarHBondContact CD1-O 3.47Å; I190-Q362 HydrophobicContact CG1-CB 4.1Å; F223-Q362 HydrophobicContact CD1-CG 4.33Å; F223-Q362 HydrophobicContact CE1-CB 4.25Å; F223-Q362 HydrophobicContact CE1-CG 4.03Å; F223-Q362 HydrophobicContact CZ-CB 4.24Å; M355-Q362 WeakPolarHBondContact CA-O 3.39Å; L356-Q362 PolarHBondContact N-O 2.89Å; L356-Q362 PolarHBondContact O-N 3.01Å
363	M	85.3	Confident	83.8	Confident	63 Å²	63	48 Å²	48	31%	0.31	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.9	178.7	60.4	175.4	173.3	0	0	113.6	K228 L229 I230 T353 C354 M355	K228-M363 PolarHBondContact O-N 3.39Å; L229-M363 WeakPolarHBondContact CA-O 3.39Å; L229-M363 HydrophobicContact CB-CE 4.04Å; L229-M363 HydrophobicContact CB-CG 4.37Å; L229-M363 HydrophobicContact CD1-CE 3.92Å; L229-M363 HydrophobicContact CD1-CG 3.76Å; L229-M363 HydrophobicContact CD1-SD 4.04Å; L229-M363 HydrophobicContact CD2-CE 4.2Å; L229-M363 HydrophobicContact CG-CE 4.26Å; I230-M363 PolarHBondContact N-O 3.5Å; T353-M363 HydrophobicContact CG2-CB 4.07Å; T353-M363 HydrophobicContact CG2-SD 4.21Å; C354-M363 CarbonylContact O-C 3.54Å; C354-M363 WeakPolarHBondContact O-CA 3.35Å; C354-M363 WeakPolarHBondContact O-CB 3.31Å; M355-M363 HydrophobicContact CB-CB 4.36Å; M355-M363 HydrophobicContact CG-CB 3.8Å
364	I	86.1	Confident	82.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134	167.2	-56.3	161.9	0	0	0	107.8	I190 P193 I230 T353 C354 Y366	I190-I364 HydrophobicContact CG2-CD1 3.31Å; I190-I364 HydrophobicContact CG2-CG1 3.85Å; P193-I364 HydrophobicContact CB-CD1 4.32Å; P193-I364 HydrophobicContact CG-CD1 3.79Å; P193-I364 HydrophobicContact CG-CG1 4.37Å; P193-I364 HydrophobicContact CG-CG2 4.11Å; I230-I364 HydrophobicContact CB-CG1 4.39Å; I230-I364 HydrophobicContact CB-CG2 4.28Å; I230-I364 HydrophobicContact CG2-CG2 4.37Å; T353-I364 CarbonylContact C-O 3.4Å; T353-I364 VanDerWaalsContact CA-O 3.25Å; T353-I364 WeakPolarHBondContact CA-O 3.19Å; T353-I364 WeakPolarHBondContact CG2-O 2.85Å; C354-I364 PolarHBondContact N-O 2.76Å; C354-I364 PolarHBondContact O-N 3.4Å; I364-Y366 HydrophobicContact CB-CE2 4.02Å; I364-Y366 HydrophobicContact CG2-CD2 3.96Å; I364-Y366 HydrophobicContact CG2-CE1 4.08Å; I364-Y366 HydrophobicContact CG2-CE2 3.39Å; I364-Y366 VanDerWaalsContact CG2-CZ 3.45Å
365	S	89.1	Confident	81.7	Confident	17 Å²	17	55.2 Å²	55.2	12%	0.119	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.8	175.4	-177.2	0	0	0	0	110.3	I230 K231 M232 I351 Y352	I230-S365 PolarHBondContact O-N 3.27Å; K231-S365 CarbonylContact C-O 3.49Å; K231-S365 VanDerWaalsContact CA-O 3.31Å; K231-S365 WeakPolarHBondContact CA-O 3.47Å; M232-S365 PolarHBondContact N-O 2.82Å; I351-S365 WeakPolarHBondContact CG2-OG 3.44Å; Y352-S365 CarbonylContact O-C 3.57Å; Y352-S365 WeakPolarHBondContact O-CA 3.29Å
366	Y	92.4	Very high	81.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.4	179	-66	-79.6	0	0	0	109.4	P193 M232 L234 L244 P245 W259 I351 Y352 I364 V368	P193-Y366 WeakPolarHBondContact CB-OH 3.48Å; P193-Y366 WeakPolarHBondContact CG-OH 3.47Å; M232-Y366 HydrophobicContact CB-CD1 3.73Å; M232-Y366 HydrophobicContact CB-CE1 4Å; M232-Y366 HydrophobicContact CG-CD1 4.39Å; M232-Y366 HydrophobicContact CG-CE1 4.16Å; M232-Y366 CarbonylContact O-C 3.29Å; M232-Y366 WeakPolarHBondContact O-CA 3.36Å; M232-Y366 HydrophobicContact SD-CD1 4.24Å; M232-Y366 HydrophobicContact SD-CE1 3.52Å; M232-Y366 VanDerWaalsContact SD-CE1 3.52Å; L234-Y366 HydrophobicContact CD1-CD1 3.77Å; L234-Y366 HydrophobicContact CD1-CE1 4.37Å; L234-Y366 HydrophobicContact CG-CD1 4.24Å; L244-Y366 HydrophobicContact CB-CD2 4.27Å; L244-Y366 HydrophobicContact CB-CE2 4.31Å; L244-Y366 HydrophobicContact CD2-CD1 3.92Å; L244-Y366 HydrophobicContact CD2-CD2 4.39Å; L244-Y366 HydrophobicContact CD2-CG 3.83Å; P245-Y366 PolarHBondContact O-OH 3.4Å; W259-Y366 AromaticContact CH2-CD2 3.87Å; W259-Y366 HydrophobicContact CH2-CD2 3.87Å; W259-Y366 AromaticContact CH2-CE2 3.65Å; W259-Y366 HydrophobicContact CH2-CE2 3.65Å; W259-Y366 AromaticContact CZ3-CD2 3.92Å; W259-Y366 HydrophobicContact CZ3-CD2 3.92Å; W259-Y366 HydrophobicContact CZ3-CE2 4.16Å; I351-Y366 CarbonylContact C-O 3.53Å; I351-Y366 WeakPolarHBondContact CA-O 3.36Å; Y352-Y366 PolarHBondContact N-O 2.91Å; Y352-Y366 PolarHBondContact O-N 3.4Å; I364-Y366 HydrophobicContact CB-CE2 4.02Å; I364-Y366 HydrophobicContact CG2-CD2 3.96Å; I364-Y366 HydrophobicContact CG2-CE1 4.08Å; I364-Y366 HydrophobicContact CG2-CE2 3.39Å; I364-Y366 VanDerWaalsContact CG2-CZ 3.45Å; Y366-V368 PolarHBondContact O-N 3.13Å
367	H	92.7	Very high	81.3	Confident	86 Å²	86	56.7 Å²	56.7	40%	0.398	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	103.3	167.8	-169.4	-129	0	0	0	108.9	M232 L233 L234	M232-H367 PolarHBondContact O-N 3.41Å; L233-H367 HydrophobicContact CD1-CB 3.91Å; L233-H367 WeakPolarHBondContact CD1-ND1 3.27Å; L234-H367 PolarHBondContact N-O 3.19Å
368	V	93.3	Very high	81.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.5	-177.4	177.5	0	0	0	0	108.8	Y236 L244 I344 S349 D350 Y352 Y366 V370	Y236-V368 HydrophobicContact CD2-CG1 3.84Å; Y236-V368 HydrophobicContact CE2-CG1 4.05Å; L244-V368 HydrophobicContact CD1-CG2 4.37Å; L244-V368 HydrophobicContact CD2-CG2 3.88Å; I344-V368 HydrophobicContact CD1-CG1 3.75Å; S349-V368 CarbonylContact C-O 3.51Å; S349-V368 VanDerWaalsContact CA-O 3.23Å; S349-V368 WeakPolarHBondContact CA-O 3.44Å; D350-V368 PolarHBondContact N-O 3.04Å; D350-V368 VanDerWaalsContact N-O 3.09Å; D350-V368 PolarHBondContact O-N 3.38Å; Y352-V368 HydrophobicContact CD2-CB 3.86Å; Y352-V368 HydrophobicContact CD2-CG2 3.52Å; Y352-V368 HydrophobicContact CE2-CB 3.83Å; Y352-V368 HydrophobicContact CE2-CG1 4.35Å; Y352-V368 HydrophobicContact CE2-CG2 3.92Å; Y366-V368 PolarHBondContact O-N 3.13Å; V368-V370 HydrophobicContact CG1-CG2 4.14Å
369	I	93.2	Very high	82	Confident	56 Å²	56	54.8 Å²	54.8	29%	0.287	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.3	176.2	-58.6	178.7	0	0	0	108.5	L233 L234 T235 Y236	L233-I369 HydrophobicContact CD1-CD1 3.69Å; L233-I369 HydrophobicContact CD1-CG1 4.19Å; L234-I369 PolarHBondContact O-N 3.16Å; T235-I369 CarbonylContact C-O 3.58Å; T235-I369 VanDerWaalsContact CA-O 3.29Å; T235-I369 WeakPolarHBondContact CA-O 3.28Å; T235-I369 HydrophobicContact CG2-CB 4.33Å; Y236-I369 PolarHBondContact N-O 3.21Å
370	V	92.1	Very high	82.9	Confident	9 Å²	9	48 Å²	48	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.7	179.7	-173.2	0	0	0	0	108.9	Y236 I344 T345 S349 V368	Y236-V370 WeakPolarHBondContact O-CA 3.49Å; I344-V370 HydrophobicContact CB-CG2 4.46Å; I344-V370 HydrophobicContact CD1-CG2 3.36Å; I344-V370 HydrophobicContact CG1-CG1 4.49Å; I344-V370 HydrophobicContact CG1-CG2 3.58Å; I344-V370 HydrophobicContact CG2-CG1 3.86Å; I344-V370 HydrophobicContact CG2-CG2 4.12Å; T345-V370 WeakPolarHBondContact O-CB 3.44Å; T345-V370 WeakPolarHBondContact O-CG1 3.35Å; S349-V370 WeakPolarHBondContact OG-CB 3.4Å; S349-V370 PolarHBondContact OG-N 3.37Å; V368-V370 HydrophobicContact CG1-CG2 4.14Å
371	N	89.6	Confident	83.3	Confident	88 Å²	88	53.9 Å²	53.9	47%	0.471	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.5	176.3	-64	-32.4	0	0	0	110.3	Y236 T238	Y236-N371 PolarHBondContact O-N 2.94Å; T238-N371 PolarHBondContact N-O 3.06Å; T238-N371 PolarHBondContact OG1-O 2.74Å
372	E	83.2	Confident	83.6	Confident	160 Å²	160	55.2 Å²	55.2	75%	0.748	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-58.5	140.2	166.3	-69.1	-177.3	173.1	0	0	109.9	P346 A374	P346-E372 HydrophobicContact CG-CG 4.18Å; E372-A374 PolarHBondContact O-N 2.92Å
373	S	76.4	Confident	83.7	Confident	35 Å²	35	63 Å²	63	25%	0.245	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66.6	127.9	177.9	50.5	0	0	0	0	109.7	S375	S373-S375 PolarHBondContact O-N 2.9Å
374	A	69.6	Low	83.6	Confident	66 Å²	66	63.5 Å²	63.5	55%	0.545	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-57.7	138.7	176.4	0	0	0	0	0	109.9	E372 R376	E372-A374 PolarHBondContact O-N 2.92Å; A374-R376 VanDerWaalsContact O-CG 3.27Å; A374-R376 WeakPolarHBondContact O-CG 3.46Å; A374-R376 PolarHBondContact O-N 3.16Å
375	S	68.6	Low	83.8	Confident	101 Å²	101	63.7 Å²	63.7	71%	0.706	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-56.3	116	179.1	66	0	0	0	0	109.8	S373 I377	S373-S375 PolarHBondContact O-N 2.9Å; S375-I377 PolarHBondContact O-N 3.31Å
376	R	81.1	Confident	83.9	Confident	40 Å²	40	66.1 Å²	66.1	15%	0.151	33%	0.329	C	S	.	.			trans	-85.6	32.6	-176.4	-62.8	-167.6	178.6	158.5	-2.2	112.5	E237 A374 D539 R561	E237-R376 IonicContact OE2-NH2 3.18Å; E237-R376 PolarHBondContact OE2-NH2 2.75Å; A374-R376 VanDerWaalsContact O-CG 3.27Å; A374-R376 WeakPolarHBondContact O-CG 3.46Å; A374-R376 PolarHBondContact O-N 3.16Å; R376-D539 HydrophobicContact CB-CB 4.18Å; R376-D539 PolarHBondContact O-N 3.13Å; R376-R561 VanDerWaalsContact CA-NH1 3.26Å; R376-R561 PolarHBondContact O-NH1 3.38Å
377	I	84.7	Confident	84	Confident	26 Å²	26	66.8 Å²	66.8	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.5	-176	-54.1	165	0	0	0	109.5	S375 Y379 I387 F537 L538	S375-I377 PolarHBondContact O-N 3.31Å; I377-Y379 HydrophobicContact CB-CE2 4.07Å; I377-Y379 HydrophobicContact CG2-CD1 4.34Å; I377-Y379 HydrophobicContact CG2-CD2 3.87Å; I377-Y379 HydrophobicContact CG2-CE1 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 3.46Å; I377-Y379 VanDerWaalsContact CG2-CE2 3.46Å; I377-Y379 HydrophobicContact CG2-CG 4.3Å; I377-I387 HydrophobicContact CD1-CB 4.14Å; I377-I387 HydrophobicContact CD1-CG2 3.86Å; I377-I387 HydrophobicContact CG1-CG2 4.41Å; I377-I387 HydrophobicContact CG2-CD1 4.03Å; I377-F537 CarbonylContact C-O 3.52Å; I377-F537 VanDerWaalsContact CA-O 3.27Å; I377-F537 WeakPolarHBondContact CA-O 3.4Å; I377-L538 HydrophobicContact CD1-CD1 4.21Å; I377-L538 HydrophobicContact CG1-CD1 3.5Å
378	N	83.9	Confident	83.9	Confident	41 Å²	41	66.2 Å²	66.2	22%	0.219	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108.6	169	-84.4	0.6	0	0	0	109.2	A536 F537 R561	N378-A536 WeakPolarHBondContact O-CA 3.4Å; N378-F537 PolarHBondContact N-O 2.84Å; N378-F537 PolarHBondContact O-N 2.83Å; N378-R561 HydrophobicContact CB-CG 4.2Å; N378-R561 WeakPolarHBondContact ND2-CG 3.43Å
379	Y	83.3	Confident	83.8	Confident	67 Å²	67	68 Å²	68	26%	0.263	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	152.3	172.6	-65.8	-79.4	0	0	0	111.2	I377 I385 I387 A536	I377-Y379 HydrophobicContact CB-CE2 4.07Å; I377-Y379 HydrophobicContact CG2-CD1 4.34Å; I377-Y379 HydrophobicContact CG2-CD2 3.87Å; I377-Y379 HydrophobicContact CG2-CE1 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 3.46Å; I377-Y379 VanDerWaalsContact CG2-CE2 3.46Å; I377-Y379 HydrophobicContact CG2-CG 4.3Å; Y379-I385 WeakPolarHBondContact CD1-O 3.41Å; Y379-I385 HydrophobicContact CE1-CG2 4.37Å; Y379-I385 WeakPolarHBondContact CE1-O 3.45Å; Y379-I387 PolarHBondContact OH-N 2.85Å; Y379-A536 HydrophobicContact CD1-CB 3.82Å; Y379-A536 HydrophobicContact CE1-CB 4.26Å
380	S	82.2	Confident	83.5	Confident	12 Å²	12	67.9 Å²	67.9	8%	0.084	35%	0.354	C	S	.	.			trans	-67.4	175.5	162.1	95.1	0	0	0	0	111.4	K382 R383 D534 R535	S380-K382 VanDerWaalsContact C-N 3.32Å; S380-K382 PolarHBondContact O-N 3.44Å; S380-K382 PolarHBondContact OG-N 2.69Å; S380-R383 WeakPolarHBondContact O-CG 3.33Å; S380-D534 WeakPolarHBondContact CB-OD1 3.41Å; S380-D534 PolarHBondContact OG-OD1 3.36Å; S380-R535 WeakPolarHBondContact CB-O 3.37Å; S380-R535 PolarHBondContact N-O 2.86Å
381	R	73.3	Confident	82.9	Confident	147 Å²	147	73 Å²	73	56%	0.555	39%	0.385	S	S	*	.	S	Bend	trans	-66.8	-29.7	171.6	-58.7	-169.2	-158.1	172.3	10	114.2	R383 K569 L570 P572	R381-R383 VanDerWaalsContact C-N 3.27Å; R381-R383 PolarHBondContact O-N 2.89Å; R381-K569 PolarHBondContact NH2-O 2.85Å; R381-L570 WeakPolarHBondContact CG-O 3.48Å; R381-P572 VanDerWaalsContact NE-CD 3.28Å; R381-P572 VanDerWaalsContact NH2-CA 3.26Å
382	K	77.5	Confident	82.7	Confident	118 Å²	118	71.5 Å²	71.5	51%	0.513	38%	0.377	S	S	.	.	S	Bend	trans	-68.3	-31.9	-177.8	-65.1	-178.3	-176.7	176	0	111	S380 L384 I533	S380-K382 VanDerWaalsContact C-N 3.32Å; S380-K382 PolarHBondContact O-N 3.44Å; S380-K382 PolarHBondContact OG-N 2.69Å; K382-L384 HydrophobicContact CB-CD1 4.39Å; K382-L384 HydrophobicContact CB-CG 4.09Å; K382-L384 PolarHBondContact O-N 3.2Å; K382-L384 VanDerWaalsContact O-N 3.12Å; K382-I533 WeakPolarHBondContact CD-O 3.46Å; K382-I533 WeakPolarHBondContact CE-O 3.46Å; K382-I533 PolarHBondContact NZ-O 2.9Å
383	R	79.9	Confident	83	Confident	191 Å²	191	64.2 Å²	64.2	72%	0.721	34%	0.343	S	S	*	.			trans	48.1	37.3	177.7	-62.7	-170.9	173.7	-172.6	-1.7	113.1	S380 R381 I385	S380-R383 WeakPolarHBondContact O-CG 3.33Å; R381-R383 VanDerWaalsContact C-N 3.27Å; R381-R383 PolarHBondContact O-N 2.89Å; R383-I385 VanDerWaalsContact C-N 3.32Å
384	L	84	Confident	83.6	Confident	73 Å²	73	64.1 Å²	64.1	38%	0.382	34%	0.341	S	S	.	.			trans	-75.5	-32.2	173.6	-58.3	175.5	0	0	0	110	K382 V405 I533 D534	K382-L384 HydrophobicContact CB-CD1 4.39Å; K382-L384 HydrophobicContact CB-CG 4.09Å; K382-L384 PolarHBondContact O-N 3.2Å; K382-L384 VanDerWaalsContact O-N 3.12Å; L384-V405 HydrophobicContact CB-CG2 3.93Å; L384-I533 HydrophobicContact CD1-CG2 3.96Å; L384-D534 WeakPolarHBondContact CA-OD2 3.49Å; L384-D534 HydrophobicContact CB-CB 4.28Å; L384-D534 WeakPolarHBondContact CB-OD2 3.47Å; L384-D534 HydrophobicContact CD1-CB 4.29Å; L384-D534 PolarHBondContact N-OD2 3.26Å
385	I	89.9	Confident	84.5	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.1	178.5	-68.5	165.9	0	0	0	111.1	Y379 R383 I387 C403 S404 C519 V521 D534 R535 A536	Y379-I385 WeakPolarHBondContact CD1-O 3.41Å; Y379-I385 HydrophobicContact CE1-CG2 4.37Å; Y379-I385 WeakPolarHBondContact CE1-O 3.45Å; R383-I385 VanDerWaalsContact C-N 3.32Å; I385-I387 HydrophobicContact CG2-CD1 4.18Å; I385-I387 HydrophobicContact CG2-CG1 3.79Å; I385-C403 WeakPolarHBondContact CG2-SG 3.5Å; I385-S404 WeakPolarHBondContact CA-O 3.49Å; I385-C519 WeakPolarHBondContact CD1-O 3.16Å; I385-C519 HydrophobicContact CG2-CB 4.36Å; I385-V521 HydrophobicContact CD1-CB 4.44Å; I385-V521 HydrophobicContact CD1-CG2 3.8Å; I385-V521 HydrophobicContact CG1-CB 4.4Å; I385-V521 HydrophobicContact CG1-CG2 3.4Å; I385-V521 VanDerWaalsContact CG1-CG2 3.4Å; I385-D534 HydrophobicContact CD1-CB 3.97Å; I385-D534 HydrophobicContact CG1-CB 4.21Å; I385-D534 PolarHBondContact N-OD2 3.3Å; I385-R535 VanDerWaalsContact CD1-CA 3.46Å; I385-A536 HydrophobicContact CB-CB 4.34Å; I385-A536 HydrophobicContact CD1-CB 4.28Å; I385-A536 HydrophobicContact CG2-CB 3.91Å
386	T	91.6	Very high	85.5	Confident	69 Å²	69	62.3 Å²	62.3	42%	0.423	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.2	164.7	-56.5	0	0	0	0	109.4	S404	T386-S404 PolarHBondContact N-O 2.92Å; T386-S404 PolarHBondContact O-N 3.48Å; T386-S404 PolarHBondContact O-OG 3.19Å
387	I	93	Very high	86	Confident	13 Å²	13	62 Å²	62	7%	0.067	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.9	177.1	-70.7	169.8	0	0	0	109.8	I377 Y379 I385 T402 W419 C519 A536 L538	I377-I387 HydrophobicContact CD1-CB 4.14Å; I377-I387 HydrophobicContact CD1-CG2 3.86Å; I377-I387 HydrophobicContact CG1-CG2 4.41Å; I377-I387 HydrophobicContact CG2-CD1 4.03Å; Y379-I387 PolarHBondContact OH-N 2.85Å; I385-I387 HydrophobicContact CG2-CD1 4.18Å; I385-I387 HydrophobicContact CG2-CG1 3.79Å; I387-T402 CarbonylContact C-O 3.49Å; I387-T402 WeakPolarHBondContact CA-O 3.31Å; I387-W419 HydrophobicContact CD1-CH2 3.89Å; I387-W419 HydrophobicContact CD1-CZ3 4.36Å; I387-W419 HydrophobicContact CG1-CH2 3.97Å; I387-W419 HydrophobicContact CG1-CZ2 4.48Å; I387-W419 HydrophobicContact CG2-CH2 3.96Å; I387-W419 HydrophobicContact CG2-CZ2 4.43Å; I387-C519 HydrophobicContact CD1-CB 4.11Å; I387-C519 HydrophobicContact CG1-CB 4.42Å; I387-A536 HydrophobicContact CD1-CB 3.61Å; I387-L538 HydrophobicContact CD1-CB 4.41Å; I387-L538 HydrophobicContact CG2-CD2 3.92Å
388	S	91.7	Very high	86.5	Confident	75 Å²	75	64 Å²	64	52%	0.524	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	166.7	-179.7	0	0	0	0	109.7	T402	S388-T402 PolarHBondContact N-O 2.92Å; S388-T402 PolarHBondContact O-N 3.33Å
389	S	90.9	Very high	87	Confident	38 Å²	38	62.4 Å²	62.4	27%	0.266	34%	0.34	S	S	.	.			trans	-147	147.3	178.2	62.6	0	0	0	0	110.1
390	P	87.5	Confident	87.5	Confident	52 Å²	52	62.8 Å²	62.8	34%	0.338	35%	0.347	S	S	.	.			trans	-65.6	150.9	175.5	24.7	-31.3	0	0	0	111.8	I393 F399 N400	P390-I393 HydrophobicContact CB-CG1 4.4Å; P390-I393 HydrophobicContact CG-CD1 3.89Å; P390-I393 HydrophobicContact CG-CG1 3.65Å; P390-F399 HydrophobicContact CG-CB 3.96Å; P390-N400 WeakPolarHBondContact CD-O 3.34Å
391	T	79.5	Confident	88.1	Confident	117 Å²	117	62.2 Å²	62.2	72%	0.718	34%	0.343	S	S	*	.	S	Bend	trans	-75.8	-26.6	-178.3	50.4	0	0	0	0	113.2
392	L	85.2	Confident	89.2	Confident	57 Å²	57	56.4 Å²	56.4	30%	0.298	32%	0.324	S	S	.	.			trans	-136.5	130.2	178.5	173.4	63.4	0	0	0	109.2	F343 T394 R543	F343-L392 HydrophobicContact CB-CD1 4.43Å; F343-L392 HydrophobicContact CB-CD2 3.85Å; F343-L392 HydrophobicContact CD1-CD1 4.36Å; F343-L392 HydrophobicContact CG-CD2 4.43Å; L392-T394 HydrophobicContact CD1-CG2 4.14Å; L392-T394 HydrophobicContact CD2-CG2 4.24Å; L392-T394 HydrophobicContact CG-CG2 4.1Å; L392-R543 HydrophobicContact CD1-CB 4.05Å; L392-R543 HydrophobicContact CD1-CG 3.67Å
393	I	88.8	Confident	90	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.9	170.3	-58.4	162	0	0	0	107.2	P390 F399 A509 I540 I542 R543	P390-I393 HydrophobicContact CB-CG1 4.4Å; P390-I393 HydrophobicContact CG-CD1 3.89Å; P390-I393 HydrophobicContact CG-CG1 3.65Å; I393-F399 HydrophobicContact CD1-CB 4.09Å; I393-F399 HydrophobicContact CD1-CD1 4.26Å; I393-F399 HydrophobicContact CD1-CD2 3.72Å; I393-F399 HydrophobicContact CD1-CE2 4.16Å; I393-F399 HydrophobicContact CD1-CG 3.77Å; I393-F399 HydrophobicContact CG1-CB 3.93Å; I393-F399 HydrophobicContact CG1-CD1 4.47Å; I393-F399 HydrophobicContact CG1-CD2 4.49Å; I393-F399 HydrophobicContact CG1-CG 4.07Å; I393-F399 HydrophobicContact CG2-CB 4.17Å; I393-F399 HydrophobicContact CG2-CD1 3.53Å; I393-F399 HydrophobicContact CG2-CE1 4.07Å; I393-F399 HydrophobicContact CG2-CG 3.98Å; I393-A509 HydrophobicContact CG2-CB 3.82Å; I393-I540 HydrophobicContact CD1-CD1 3.96Å; I393-I540 HydrophobicContact CD1-CG2 3.66Å; I393-I542 HydrophobicContact CB-CD1 4.08Å; I393-I542 HydrophobicContact CG2-CD1 3.46Å; I393-I542 VanDerWaalsContact CG2-CD1 3.46Å; I393-R543 PolarHBondContact O-N 2.84Å
394	T	89.2	Confident	90.6	Very high	34 Å²	34	41.9 Å²	41.9	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.7	177.7	56.8	0	0	0	0	110.4	F343 L392 G396 S397 R543	F343-T394 HydrophobicContact CD1-CG2 3.93Å; F343-T394 HydrophobicContact CD2-CG2 3.72Å; F343-T394 HydrophobicContact CE1-CG2 3.79Å; F343-T394 HydrophobicContact CE2-CG2 3.56Å; F343-T394 HydrophobicContact CG-CG2 3.89Å; F343-T394 HydrophobicContact CZ-CG2 3.59Å; L392-T394 HydrophobicContact CD1-CG2 4.14Å; L392-T394 HydrophobicContact CD2-CG2 4.24Å; L392-T394 HydrophobicContact CG-CG2 4.1Å; T394-G396 PolarHBondContact O-N 2.91Å; T394-S397 PolarHBondContact N-OG 3.17Å; T394-S397 VanDerWaalsContact N-OG 3.13Å; T394-S397 WeakPolarHBondContact O-CB 3.48Å; T394-S397 PolarHBondContact O-N 2.88Å; T394-S397 PolarHBondContact O-OG 3.4Å; T394-S397 WeakPolarHBondContact OG1-CB 3.42Å; T394-S397 PolarHBondContact OG1-OG 3.45Å; T394-R543 WeakPolarHBondContact CA-O 3.44Å
395	I	88.1	Confident	90.9	Very high	81 Å²	81	38.6 Å²	38.6	42%	0.415	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.4	174.1	-159	160	0	0	0	110.8	S397 I542 R543 K544	I395-S397 VanDerWaalsContact C-N 3.29Å; I395-S397 PolarHBondContact O-N 2.83Å; I395-I542 HydrophobicContact CB-CG2 4.08Å; I395-I542 HydrophobicContact CG1-CG2 4.42Å; I395-R543 PolarHBondContact N-O 2.92Å; I395-K544 HydrophobicContact CB-CG 4.46Å; I395-K544 HydrophobicContact CD1-CG 4.27Å; I395-K544 HydrophobicContact CG2-CG 4.46Å
396	G	90.2	Very high	90.7	Very high	47 Å²	47	43.1 Å²	43.1	49%	0.485	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-13.5	-175.9	0	0	0	0	0	115.8	T394 A509	T394-G396 PolarHBondContact O-N 2.91Å; G396-A509 PolarHBondContact N-O 3.16Å
397	S	91.9	Very high	89.9	Confident	35 Å²	35	40.9 Å²	40.9	25%	0.245	25%	0.253	C	S	.	.			trans	-82.2	149.3	177.6	65.6	0	0	0	0	112.8	T394 I395 A509	T394-S397 PolarHBondContact N-OG 3.17Å; T394-S397 VanDerWaalsContact N-OG 3.13Å; T394-S397 WeakPolarHBondContact O-CB 3.48Å; T394-S397 PolarHBondContact O-N 2.88Å; T394-S397 PolarHBondContact O-OG 3.4Å; T394-S397 WeakPolarHBondContact OG1-CB 3.42Å; T394-S397 PolarHBondContact OG1-OG 3.45Å; I395-S397 VanDerWaalsContact C-N 3.29Å; I395-S397 PolarHBondContact O-N 2.83Å; S397-A509 VanDerWaalsContact O-CB 3.25Å; S397-A509 WeakPolarHBondContact O-CB 3.45Å; S397-A509 PolarHBondContact O-N 3.17Å
398	A	94.2	Very high	88.9	Confident	68 Å²	68	42.8 Å²	42.8	56%	0.562	27%	0.265	S	S	*	.			trans	-75.8	146.1	169.9	0	0	0	0	0	110.9	V506 Q507	A398-V506 CarbonylContact C-O 3.58Å; A398-V506 VanDerWaalsContact CA-O 3.22Å; A398-V506 WeakPolarHBondContact CA-O 3.19Å; A398-Q507 WeakPolarHBondContact CA-O 3.49Å; A398-Q507 VanDerWaalsContact CB-O 3.29Å; A398-Q507 WeakPolarHBondContact CB-O 3.47Å
399	F	94.7	Very high	87.6	Confident	7 Å²	7	44 Å²	44	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.5	173.8	73.4	-90.3	0	0	0	113.1	P390 I393 L401 V506 A509 D513 I540 I542	P390-F399 HydrophobicContact CG-CB 3.96Å; I393-F399 HydrophobicContact CD1-CB 4.09Å; I393-F399 HydrophobicContact CD1-CD1 4.26Å; I393-F399 HydrophobicContact CD1-CD2 3.72Å; I393-F399 HydrophobicContact CD1-CE2 4.16Å; I393-F399 HydrophobicContact CD1-CG 3.77Å; I393-F399 HydrophobicContact CG1-CB 3.93Å; I393-F399 HydrophobicContact CG1-CD1 4.47Å; I393-F399 HydrophobicContact CG1-CD2 4.49Å; I393-F399 HydrophobicContact CG1-CG 4.07Å; I393-F399 HydrophobicContact CG2-CB 4.17Å; I393-F399 HydrophobicContact CG2-CD1 3.53Å; I393-F399 HydrophobicContact CG2-CE1 4.07Å; I393-F399 HydrophobicContact CG2-CG 3.98Å; F399-L401 HydrophobicContact CD2-CD2 3.91Å; F399-L401 HydrophobicContact CD2-CG 4.06Å; F399-L401 HydrophobicContact CE2-CD1 4.09Å; F399-L401 HydrophobicContact CE2-CD2 4Å; F399-L401 HydrophobicContact CE2-CG 3.86Å; F399-V506 HydrophobicContact CD1-CB 3.82Å; F399-V506 HydrophobicContact CD1-CG1 4.27Å; F399-V506 HydrophobicContact CD1-CG2 4.39Å; F399-V506 HydrophobicContact CE1-CB 3.47Å; F399-V506 VanDerWaalsContact CE1-CB 3.47Å; F399-V506 HydrophobicContact CE1-CG1 3.71Å; F399-V506 HydrophobicContact CE1-CG2 3.7Å; F399-V506 HydrophobicContact CE2-CB 4.29Å; F399-V506 HydrophobicContact CE2-CG2 3.84Å; F399-V506 HydrophobicContact CG-CB 4.39Å; F399-V506 HydrophobicContact CZ-CB 3.74Å; F399-V506 HydrophobicContact CZ-CG1 4.25Å; F399-V506 HydrophobicContact CZ-CG2 3.39Å; F399-V506 PolarHBondContact N-O 2.93Å; F399-V506 PolarHBondContact O-N 3.11Å; F399-A509 HydrophobicContact CD1-CB 3.93Å; F399-A509 HydrophobicContact CE1-CB 3.86Å; F399-D513 HydrophobicContact CE1-CB 4.29Å; F399-D513 HydrophobicContact CZ-CB 4.23Å; F399-I540 HydrophobicContact CZ-CG2 4.49Å; F399-I542 HydrophobicContact CE1-CD1 4.17Å
400	N	94.7	Very high	86.3	Confident	75 Å²	75	48.2 Å²	48.2	40%	0.401	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134	-176.6	-71	-0.1	0	0	0	110.7	P390 L503 L504 T505	P390-N400 WeakPolarHBondContact CD-O 3.34Å; N400-L503 HydrophobicContact CB-CD1 3.81Å; N400-L504 CarbonylContact C-O 3.6Å; N400-L504 VanDerWaalsContact CA-O 3.31Å; N400-L504 WeakPolarHBondContact CA-O 3.48Å; N400-T505 VanDerWaalsContact OD1-CG2 3.27Å; N400-T505 WeakPolarHBondContact OD1-CG2 3.25Å; N400-T505 PolarHBondContact OD1-OG1 3.44Å
401	L	95.3	Very high	85.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	170.3	-50.6	-177.8	0	0	0	108.4	F399 W419 L503 L504 Y517 L538 I540	F399-L401 HydrophobicContact CD2-CD2 3.91Å; F399-L401 HydrophobicContact CD2-CG 4.06Å; F399-L401 HydrophobicContact CE2-CD1 4.09Å; F399-L401 HydrophobicContact CE2-CD2 4Å; F399-L401 HydrophobicContact CE2-CG 3.86Å; L401-W419 HydrophobicContact CB-CH2 4.43Å; L401-W419 HydrophobicContact CB-CZ2 3.75Å; L401-W419 PolarHBondContact O-NE1 3.02Å; L401-L503 WeakPolarHBondContact O-CA 3.07Å; L401-L504 HydrophobicContact CB-CB 4.33Å; L401-L504 HydrophobicContact CB-CD2 4.45Å; L401-L504 HydrophobicContact CD1-CD2 4.12Å; L401-L504 HydrophobicContact CG-CD2 4.16Å; L401-L504 PolarHBondContact N-O 3.44Å; L401-L504 PolarHBondContact O-N 3.03Å; L401-Y517 HydrophobicContact CD1-CD1 4Å; L401-Y517 HydrophobicContact CD1-CD2 4.44Å; L401-Y517 HydrophobicContact CD1-CE1 4.1Å; L401-Y517 HydrophobicContact CD1-CG 4.19Å; L401-L538 HydrophobicContact CD1-CD2 4.18Å; L401-L538 HydrophobicContact CD2-CD2 3.95Å; L401-I540 HydrophobicContact CD1-CD1 4.48Å; L401-I540 HydrophobicContact CD1-CG1 4.08Å; L401-I540 HydrophobicContact CD2-CD1 3.66Å; L401-I540 HydrophobicContact CD2-CG1 4.17Å
402	T	94.9	Very high	84.2	Confident	24 Å²	24	48.1 Å²	48.1	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	179.7	-43.8	0	0	0	0	108.7	I387 S388 E501	I387-T402 CarbonylContact C-O 3.49Å; I387-T402 WeakPolarHBondContact CA-O 3.31Å; S388-T402 PolarHBondContact N-O 2.92Å; S388-T402 PolarHBondContact O-N 3.33Å; T402-E501 VanDerWaalsContact CG2-CD 3.48Å; T402-E501 HydrophobicContact CG2-CG 3.56Å; T402-E501 WeakPolarHBondContact CG2-OE1 3.03Å
403	C	95.3	Very high	82.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.8	167.6	-172.1	0	0	0	0	109.2	I385 V417 W419 E501 V502 C519	I385-C403 WeakPolarHBondContact CG2-SG 3.5Å; C403-V417 HydrophobicContact CB-CG2 4.33Å; C403-W419 HydrophobicContact CB-CD2 4.48Å; C403-W419 HydrophobicContact CB-CH2 4.36Å; C403-W419 HydrophobicContact CB-CZ2 3.64Å; C403-E501 CarbonylContact O-C 3.55Å; C403-E501 WeakPolarHBondContact O-CA 3.32Å; C403-V502 PolarHBondContact N-O 2.85Å; C403-V502 PolarHBondContact O-N 3.44Å; C403-C519 HydrophobicContact CB-CB 3.75Å; C403-C519 WeakPolarHBondContact CB-SG 3.39Å; C403-C519 WeakPolarHBondContact SG-CB 3.49Å; C403-C519 CovalentContact SG-SG 1.99Å; C403-C519 PolarHBondContact SG-SG 3.05Å
404	S	92.3	Very high	82	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.7	-178.9	59.4	0	0	0	0	111.7	I385 T386 S500	I385-S404 WeakPolarHBondContact CA-O 3.49Å; T386-S404 PolarHBondContact N-O 2.92Å; T386-S404 PolarHBondContact O-N 3.48Å; T386-S404 PolarHBondContact O-OG 3.19Å; S404-S500 CarbonylContact C-O 3.6Å; S404-S500 VanDerWaalsContact CA-O 3.25Å; S404-S500 WeakPolarHBondContact CA-O 3.24Å
405	V	90	Very high	81.4	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.8	174.4	65.6	0	0	0	0	109.4	L384 V407 V417 R499 S500 V521	L384-V405 HydrophobicContact CB-CG2 3.93Å; V405-V407 HydrophobicContact CG1-CG2 4.15Å; V405-V407 HydrophobicContact CG2-CG2 4.13Å; V405-V417 HydrophobicContact CG1-CB 4.34Å; V405-R499 WeakPolarHBondContact O-CA 3.32Å; V405-S500 PolarHBondContact N-O 3.22Å; V405-S500 PolarHBondContact O-N 3.43Å; V405-V521 HydrophobicContact CB-CG2 3.87Å; V405-V521 HydrophobicContact CG1-CG1 4.37Å; V405-V521 HydrophobicContact CG1-CG2 4.07Å; V405-V521 HydrophobicContact CG2-CG1 4.29Å; V405-V521 HydrophobicContact CG2-CG2 4.06Å
406	Y	84.9	Confident	81.2	Confident	99 Å²	99	51.6 Å²	51.6	39%	0.388	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	174.1	-65	-96.9	0	0	0	108.7	E493 R499	Y406-E493 VanDerWaalsContact CE1-OE1 3.31Å; Y406-E493 WeakPolarHBondContact CE1-OE1 3.45Å; Y406-E493 WeakPolarHBondContact CE1-OE2 3.31Å; Y406-R499 HydrophobicContact CD1-CB 3.95Å; Y406-R499 HydrophobicContact CD1-CG 4.2Å; Y406-R499 HydrophobicContact CE1-CB 3.91Å; Y406-R499 HydrophobicContact CE1-CG 3.87Å; Y406-R499 HydrophobicContact CE2-CG 4.49Å; Y406-R499 PolarHBondContact OH-NE 3.19Å; Y406-R499 PolarHBondContact OH-NH1 2.84Å
407	V	76.1	Confident	81.2	Confident	22 Å²	22	49.5 Å²	49.5	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.6	-179.5	-142.7	0	0	0	0	110.7	V405 K411 I415 N497 Y498	V405-V407 HydrophobicContact CG1-CG2 4.15Å; V405-V407 HydrophobicContact CG2-CG2 4.13Å; V407-K411 HydrophobicContact CG1-CB 3.71Å; V407-I415 HydrophobicContact CB-CD1 4.48Å; V407-I415 HydrophobicContact CG1-CD1 3.71Å; V407-I415 HydrophobicContact CG2-CD1 4.15Å; V407-I415 HydrophobicContact CG2-CG2 4.49Å; V407-N497 CarbonylContact O-C 3.55Å; V407-N497 WeakPolarHBondContact O-CA 3.33Å; V407-Y498 PolarHBondContact N-O 3.17Å; V407-Y498 PolarHBondContact O-N 2.52Å
408	T	70.6	Confident	81.3	Confident	53 Å²	53	48 Å²	48	33%	0.325	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	148.7	171.3	59.3	0	0	0	0	110.3	D410 K411 S412 N497	T408-D410 WeakPolarHBondContact CB-OD1 3.4Å; T408-D410 PolarHBondContact O-N 3.33Å; T408-D410 PolarHBondContact OG1-OD1 3.27Å; T408-K411 PolarHBondContact O-N 3.2Å; T408-S412 PolarHBondContact O-N 3.27Å; T408-N497 WeakPolarHBondContact CG2-OD1 3.27Å
409	K	64.4	Low	81.2	Confident	101 Å²	101	44.8 Å²	44.8	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.1	-174.3	177.6	158.2	-167.2	-173.8	0	115.3	K411 S412 Y496 Y498	K409-K411 VanDerWaalsContact C-N 3.29Å; K409-K411 PolarHBondContact O-N 3.48Å; K409-S412 WeakPolarHBondContact CA-OG 3.42Å; K409-S412 PolarHBondContact O-OG 3.13Å; K409-Y496 WeakPolarHBondContact CB-O 3.07Å; K409-Y496 HydrophobicContact CD-CD1 4.05Å; K409-Y496 PolarHBondContact N-O 2.79Å; K409-Y498 HydrophobicContact CB-CD2 4.12Å; K409-Y498 HydrophobicContact CB-CE2 3.58Å; K409-Y498 HydrophobicContact CD-CE2 3.84Å; K409-Y498 WeakPolarHBondContact CE-OH 3.12Å; K409-Y498 HydrophobicContact CG-CE2 3.61Å
410	D	63.7	Low	81.1	Confident	126 Å²	126	44.8 Å²	44.8	67%	0.674	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.6	176.1	55.1	-43.1	0	0	0	113.2	T408	T408-D410 WeakPolarHBondContact CB-OD1 3.4Å; T408-D410 PolarHBondContact O-N 3.33Å; T408-D410 PolarHBondContact OG1-OD1 3.27Å
411	K	63.7	Low	80.8	Confident	138 Å²	138	44 Å²	44	60%	0.6	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-8	178.6	-67.1	-178.9	-177.5	174.4	0	113.5	V407 T408 K409 I415	V407-K411 HydrophobicContact CG1-CB 3.71Å; T408-K411 PolarHBondContact O-N 3.2Å; K409-K411 VanDerWaalsContact C-N 3.29Å; K409-K411 PolarHBondContact O-N 3.48Å; K411-I415 WeakPolarHBondContact O-CD1 3.36Å; K411-I415 WeakPolarHBondContact O-CG1 3.4Å
412	S	59.9	Low	80	Confident	30 Å²	30	45.1 Å²	45.1	21%	0.21	23%	0.233	C	C	.	.			trans	-78.2	-19.7	-170.9	60.5	0	0	0	0	114.6	T408 K409 N414 I415 Y498	T408-S412 PolarHBondContact O-N 3.27Å; K409-S412 WeakPolarHBondContact CA-OG 3.42Å; K409-S412 PolarHBondContact O-OG 3.13Å; S412-N414 PolarHBondContact O-N 3.14Å; S412-N414 VanDerWaalsContact O-N 3.14Å; S412-I415 PolarHBondContact O-N 3.16Å; S412-Y498 WeakPolarHBondContact OG-CD2 2.92Å
413	V	57.8	Low	78.7	Confident	106 Å²	106	47 Å²	47	64%	0.642	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	116.5	-177.4	-167.3	0	0	0	0	108
414	N	69.7	Low	77	Confident	84 Å²	84	49.3 Å²	49.3	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	7.4	-178.7	-48.3	-30.6	0	0	0	117.7	S412 E523 A524	S412-N414 PolarHBondContact O-N 3.14Å; S412-N414 VanDerWaalsContact O-N 3.14Å; N414-E523 HydrophobicContact CB-CG 3.76Å; N414-E523 CarbonylContact O-C 3.59Å; N414-E523 VanDerWaalsContact O-CA 3.28Å; N414-E523 WeakPolarHBondContact O-CA 3.35Å; N414-A524 PolarHBondContact O-N 2.96Å
415	I	77.5	Confident	74.9	Confident	36 Å²	36	51.3 Å²	51.3	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.8	175.5	-61.3	-173.9	0	0	0	111.2	V407 K411 S412 V521 I533	V407-I415 HydrophobicContact CB-CD1 4.48Å; V407-I415 HydrophobicContact CG1-CD1 3.71Å; V407-I415 HydrophobicContact CG2-CD1 4.15Å; V407-I415 HydrophobicContact CG2-CG2 4.49Å; K411-I415 WeakPolarHBondContact O-CD1 3.36Å; K411-I415 WeakPolarHBondContact O-CG1 3.4Å; S412-I415 PolarHBondContact O-N 3.16Å; I415-V521 HydrophobicContact CG2-CG1 3.44Å; I415-V521 VanDerWaalsContact CG2-CG1 3.44Å; I415-I533 HydrophobicContact CD1-CD1 3.71Å; I415-I533 HydrophobicContact CG1-CD1 3.67Å; I415-I533 HydrophobicContact CG2-CD1 4.36Å
416	A	84	Confident	72.8	Confident	25 Å²	25	52.6 Å²	52.6	21%	0.207	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	153.2	169.5	0	0	0	0	0	110.8	V521 Y522	A416-V521 WeakPolarHBondContact O-CA 3.31Å; A416-Y522 HydrophobicContact CB-CD2 4.37Å; A416-Y522 HydrophobicContact CB-CE1 4.1Å; A416-Y522 HydrophobicContact CB-CE2 3.97Å; A416-Y522 PolarHBondContact N-O 3.36Å; A416-Y522 PolarHBondContact O-N 3.13Å
417	V	90.2	Very high	70.6	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.1	170.4	67.2	0	0	0	0	108.4	C403 V405 V502 C519 R520 V521	C403-V417 HydrophobicContact CB-CG2 4.33Å; V405-V417 HydrophobicContact CG1-CB 4.34Å; V417-V502 HydrophobicContact CG1-CB 4.35Å; V417-V502 HydrophobicContact CG1-CG2 3.8Å; V417-V502 WeakPolarHBondContact O-CG2 3.05Å; V417-C519 WeakPolarHBondContact CG2-SG 3.41Å; V417-R520 VanDerWaalsContact CA-O 3.31Å; V417-R520 WeakPolarHBondContact CA-O 3.23Å; V417-V521 HydrophobicContact CB-CG2 4.17Å; V417-V521 HydrophobicContact CG2-CG2 3.78Å
418	D	92.4	Very high	68.8	Low	3 Å²	3	52.2 Å²	52.2	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.6	-177.8	-88.7	-67.3	0	0	0	112.7	F420 Q475 K488 C519 R520 Y522	D418-F420 HydrophobicContact CB-CD2 4.38Å; D418-F420 HydrophobicContact CB-CE2 3.65Å; D418-F420 HydrophobicContact CB-CZ 4.34Å; D418-Q475 HydrophobicContact CB-CG 4.33Å; D418-Q475 PolarHBondContact OD1-NE2 2.94Å; D418-Q475 PolarHBondContact OD2-NE2 3.27Å; D418-K488 WeakPolarHBondContact OD1-CE 3.45Å; D418-K488 IonicContact OD1-NZ 2.7Å; D418-K488 PolarHBondContact OD1-NZ 2.72Å; D418-K488 IonicContact OD2-NZ 2.75Å; D418-K488 PolarHBondContact OD2-NZ 2.74Å; D418-C519 WeakPolarHBondContact O-CA 3.47Å; D418-R520 PolarHBondContact N-O 2.88Å; D418-R520 PolarHBondContact O-N 3Å; D418-Y522 HydrophobicContact CB-CE1 4.13Å; D418-Y522 PolarHBondContact OD2-OH 3.32Å
419	W	94	Very high	67.1	Low	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.5	172.8	-75.3	109	0	0	0	111.5	I387 L401 C403 I476 V502 L504 Y517 E518 C519 L538	I387-W419 HydrophobicContact CD1-CH2 3.89Å; I387-W419 HydrophobicContact CD1-CZ3 4.36Å; I387-W419 HydrophobicContact CG1-CH2 3.97Å; I387-W419 HydrophobicContact CG1-CZ2 4.48Å; I387-W419 HydrophobicContact CG2-CH2 3.96Å; I387-W419 HydrophobicContact CG2-CZ2 4.43Å; L401-W419 HydrophobicContact CB-CH2 4.43Å; L401-W419 HydrophobicContact CB-CZ2 3.75Å; L401-W419 PolarHBondContact O-NE1 3.02Å; C403-W419 HydrophobicContact CB-CD2 4.48Å; C403-W419 HydrophobicContact CB-CH2 4.36Å; C403-W419 HydrophobicContact CB-CZ2 3.64Å; W419-I476 HydrophobicContact CB-CD1 3.97Å; W419-I476 HydrophobicContact CB-CG1 4.4Å; W419-I476 PolarHBondContact O-N 3.42Å; W419-V502 PolarHBondContact NE1-O 2.6Å; W419-L504 HydrophobicContact CB-CD1 4.29Å; W419-L504 HydrophobicContact CG-CB 4.41Å; W419-L504 HydrophobicContact CG-CD1 4.41Å; W419-Y517 HydrophobicContact CE3-CD1 4.47Å; W419-E518 CarbonylContact C-O 3.11Å; W419-C519 HydrophobicContact CD2-CB 4.43Å; W419-C519 HydrophobicContact CE3-CB 3.98Å; W419-C519 HydrophobicContact CH2-CB 4.13Å; W419-C519 HydrophobicContact CZ3-CB 3.82Å; W419-L538 HydrophobicContact CH2-CB 4.37Å; W419-L538 HydrophobicContact CH2-CD2 3.8Å; W419-L538 HydrophobicContact CZ3-CB 4.32Å; W419-L538 HydrophobicContact CZ3-CD2 4.29Å
420	F	91.7	Very high	65.8	Low	8 Å²	8	53 Å²	53	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.3	178.3	-66.2	-106.8	0	0	0	110.2	D418 F473 Q474 Q475 E518 R520 Y522	D418-F420 HydrophobicContact CB-CD2 4.38Å; D418-F420 HydrophobicContact CB-CE2 3.65Å; D418-F420 HydrophobicContact CB-CZ 4.34Å; F420-F473 HydrophobicContact CB-CB 4.24Å; F420-F473 HydrophobicContact CB-CD1 4.11Å; F420-Q474 CarbonylContact C-O 3.55Å; F420-Q474 VanDerWaalsContact CA-O 3.22Å; F420-Q474 WeakPolarHBondContact CA-O 3.47Å; F420-Q475 VanDerWaalsContact CD1-CA 3.5Å; F420-Q475 HydrophobicContact CD1-CB 3.99Å; F420-Q475 VanDerWaalsContact CD1-N 3.27Å; F420-Q475 HydrophobicContact CE1-CB 3.63Å; F420-Q475 HydrophobicContact CE1-CG 4.35Å; F420-Q475 HydrophobicContact CZ-CB 4.01Å; F420-Q475 HydrophobicContact CZ-CG 4.24Å; F420-E518 HydrophobicContact CB-CB 4.24Å; F420-E518 PolarHBondContact N-O 2.84Å; F420-E518 PolarHBondContact O-N 3.4Å; F420-R520 HydrophobicContact CD2-CB 3.94Å; F420-R520 HydrophobicContact CD2-CG 3.69Å; F420-R520 HydrophobicContact CE2-CB 3.73Å; F420-R520 HydrophobicContact CE2-CG 3.91Å; F420-R520 HydrophobicContact CG-CG 4.33Å; F420-Y522 HydrophobicContact CE2-CE1 4.13Å; F420-Y522 HydrophobicContact CZ-CE1 4.13Å
421	R	87.4	Confident	64.2	Low	58 Å²	58	51.7 Å²	51.7	22%	0.219	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.6	177.5	-162.9	171.1	-178.3	-156.8	-9.6	110.2	F473 Q474 I476 N512 G514	R421-F473 WeakPolarHBondContact O-CA 3.37Å; R421-Q474 PolarHBondContact N-O 3.26Å; R421-Q474 PolarHBondContact O-N 3.27Å; R421-I476 HydrophobicContact CB-CD1 3.98Å; R421-I476 HydrophobicContact CB-CG1 4.02Å; R421-N512 PolarHBondContact NH1-O 2.81Å; R421-N512 PolarHBondContact NH2-O 3.19Å; R421-G514 PolarHBondContact NH2-O 2.77Å
422	P	79.6	Confident	62.5	Low	24 Å²	24	54.8 Å²	54.8	16%	0.156	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.5	174.6	26.7	-32.9	0	0	0	110.1	Y424 S472 F473 L516	P422-Y424 PolarHBondContact O-N 2.85Å; P422-S472 WeakPolarHBondContact CB-OG 3.33Å; P422-F473 HydrophobicContact CB-CD2 4.23Å; P422-F473 HydrophobicContact CB-CE2 4.06Å; P422-F473 HydrophobicContact CB-CZ 4.28Å; P422-F473 HydrophobicContact CG-CE1 4.39Å; P422-F473 HydrophobicContact CG-CE2 4.45Å; P422-F473 HydrophobicContact CG-CZ 4.17Å; P422-L516 WeakPolarHBondContact CD-O 3.05Å
423	T	67	Low	61	Low	64 Å²	64	58.3 Å²	58.3	39%	0.393	33%	0.33	S	S	.	.	S	Bend	trans	-68.7	-15.8	175.8	46.8	0	0	0	0	113.5	S472 Q474	T423-S472 WeakPolarHBondContact CG2-O 3.49Å; T423-S472 PolarHBondContact N-O 3.24Å; T423-S472 PolarHBondContact OG1-O 3.01Å; T423-Q474 HydrophobicContact CG2-CB 4.18Å; T423-Q474 HydrophobicContact CG2-CG 3.49Å; T423-Q474 VanDerWaalsContact CG2-CG 3.49Å; T423-Q474 VanDerWaalsContact CG2-NE2 3.34Å
424	Y	59.5	Low	59.5	Low	48 Å²	48	60.8 Å²	60.8	19%	0.188	34%	0.336	C	S	.	.			trans	-88.5	116	178	-40.3	-58.5	0	0	0	109.8	P422 L436 V437 L469 S472	P422-Y424 PolarHBondContact O-N 2.85Å; Y424-L436 HydrophobicContact CD1-CB 3.94Å; Y424-L436 HydrophobicContact CE1-CB 4.25Å; Y424-L436 HydrophobicContact CE1-CD2 4.2Å; Y424-V437 HydrophobicContact CD1-CG2 4.02Å; Y424-V437 HydrophobicContact CD2-CG2 4.01Å; Y424-V437 HydrophobicContact CE1-CG2 4.34Å; Y424-V437 HydrophobicContact CE2-CG2 4.27Å; Y424-V437 HydrophobicContact CG-CG2 3.85Å; Y424-L469 HydrophobicContact CD2-CD1 4.04Å; Y424-S472 WeakPolarHBondContact CD2-OG 3.27Å; Y424-S472 VanDerWaalsContact CE2-OG 3.31Å; Y424-S472 WeakPolarHBondContact CE2-OG 3.37Å; Y424-S472 VanDerWaalsContact CZ-CB 3.43Å
425	S	48.3	Very low	57.9	Low	46 Å²	46	58.5 Å²	58.5	32%	0.322	32%	0.324	S	S	.	.			trans	-77.3	116.4	161.1	48.9	0	0	0	0	108.4	E427 M434	S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.31Å; S425-M434 PolarHBondContact OG-O 3.32Å
426	I	47.2	Very low	56	Low	31 Å²	31	64.2 Å²	64.2	16%	0.159	35%	0.354	C	S	.	.			trans	-88.4	81.4	167.8	-50.9	166.3	0	0	0	106.7	T428 I435 L442 L556 L560	I426-T428 PolarHBondContact O-N 3.45Å; I426-I435 HydrophobicContact CG2-CD1 4.43Å; I426-L442 HydrophobicContact CD1-CD1 3.96Å; I426-L442 HydrophobicContact CG2-CD1 4.27Å; I426-L442 HydrophobicContact CG2-CD2 3.49Å; I426-L442 VanDerWaalsContact CG2-CD2 3.49Å; I426-L556 HydrophobicContact CB-CD2 3.9Å; I426-L556 HydrophobicContact CD1-CD2 3.88Å; I426-L556 HydrophobicContact CD1-CG 4.5Å; I426-L556 HydrophobicContact CG1-CD2 4.46Å; I426-L556 HydrophobicContact CG2-CD2 3.25Å; I426-L560 HydrophobicContact CD1-CD1 3.33Å
427	E	37.3	Very low	54.1	Low	49 Å²	49	64.5 Å²	64.5	23%	0.229	35%	0.353	C	S	.	.			trans	-75.7	117.6	171	-74.8	-174.5	-176.1	0	0	108.5	S425 S429 N512	S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.31Å; E427-S429 PolarHBondContact O-N 3.23Å; E427-N512 PolarHBondContact OE1-ND2 3.16Å; E427-N512 PolarHBondContact OE1-OD1 3.4Å
428	T	39.9	Very low	52	Low	64 Å²	64	68.1 Å²	68.1	39%	0.393	37%	0.372	S	S	.	.			trans	-83.2	14.2	167.6	52.8	0	0	0	0	111.8	I426 E552	I426-T428 PolarHBondContact O-N 3.45Å; T428-E552 HydrophobicContact CG2-CB 4.49Å
429	S	33.8	Very low	49.8	Very low	39 Å²	39	71.7 Å²	71.7	27%	0.273	40%	0.396	S	S	.	.			trans	-75.3	132.5	179.2	96.1	0	0	0	0	110.7	E427 S431	E427-S429 PolarHBondContact O-N 3.23Å; S429-S431 PolarHBondContact O-N 2.87Å; S429-S431 VanDerWaalsContact O-N 3.09Å
430	S	37.9	Very low	47.5	Very low	132 Å²	132	77.7 Å²	77.7	92%	0.923	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-5.1	-179.5	57.2	0	0	0	0	114.3
431	S	29.3	Very low	45.5	Very low	98 Å²	98	78.7 Å²	78.7	69%	0.685	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-15.8	-164.8	67.2	0	0	0	0	115.6	S429	S429-S431 PolarHBondContact O-N 2.87Å; S429-S431 VanDerWaalsContact O-N 3.09Å
432	R	28.4	Very low	43.8	Very low	202 Å²	202	76.8 Å²	76.8	76%	0.762	43%	0.425	S	S	*	.			trans	-166.1	103.7	172.8	-105.1	164.9	-168.7	-164.9	2.6	110	M434	R432-M434 PolarHBondContact O-N 3.4Å; R432-M434 VanDerWaalsContact O-N 3.16Å
433	P	27.4	Very low	42.4	Very low	105 Å²	105	80.5 Å²	80.5	68%	0.682	44%	0.443	S	S	*	.			trans	-82.1	97.9	172.3	31.6	-27	0	0	0	107.8	I435	P433-I435 HydrophobicContact CB-CD1 4.49Å; P433-I435 HydrophobicContact CB-CG1 4.19Å; P433-I435 PolarHBondContact O-N 3.18Å
434	M	27.4	Very low	41.7	Very low	157 Å²	157	82.1 Å²	82.1	77%	0.773	45%	0.449	S	S	*	.			trans	-84.5	72.7	155.6	-130.8	-176	-179	0	0	107.2	S425 R432	S425-M434 PolarHBondContact OG-O 3.32Å; R432-M434 PolarHBondContact O-N 3.4Å; R432-M434 VanDerWaalsContact O-N 3.16Å
435	I	35.1	Very low	41.4	Very low	37 Å²	37	80.5 Å²	80.5	19%	0.19	44%	0.444	C	S	.	.			trans	-113.5	110.1	172.6	-48.3	-177.3	0	0	0	107.8	I426 P433 V437	I426-I435 HydrophobicContact CG2-CD1 4.43Å; P433-I435 HydrophobicContact CB-CD1 4.49Å; P433-I435 HydrophobicContact CB-CG1 4.19Å; P433-I435 PolarHBondContact O-N 3.18Å; I435-V437 HydrophobicContact CG2-CB 3.84Å; I435-V437 WeakPolarHBondContact CG2-O 3.28Å; I435-V437 PolarHBondContact O-N 3.35Å; I435-V437 VanDerWaalsContact O-N 3.13Å
436	L	37.3	Very low	41.5	Very low	155 Å²	155	80.5 Å²	80.5	81%	0.812	44%	0.44	S	S	*	.	S	Bend	trans	-78.6	29.2	169.4	-144.7	90.1	0	0	0	111.9	Y424	Y424-L436 HydrophobicContact CD1-CB 3.94Å; Y424-L436 HydrophobicContact CE1-CB 4.25Å; Y424-L436 HydrophobicContact CE1-CD2 4.2Å
437	V	44.4	Very low	41.8	Very low	32 Å²	32	82.9 Å²	82.9	19%	0.194	46%	0.459	C	S	.	.	S	Bend	trans	-142.2	124	176.5	-177.8	0	0	0	0	105.8	Y424 I435 P439 V441	Y424-V437 HydrophobicContact CD1-CG2 4.02Å; Y424-V437 HydrophobicContact CD2-CG2 4.01Å; Y424-V437 HydrophobicContact CE1-CG2 4.34Å; Y424-V437 HydrophobicContact CE2-CG2 4.27Å; Y424-V437 HydrophobicContact CG-CG2 3.85Å; I435-V437 HydrophobicContact CG2-CB 3.84Å; I435-V437 WeakPolarHBondContact CG2-O 3.28Å; I435-V437 PolarHBondContact O-N 3.35Å; I435-V437 VanDerWaalsContact O-N 3.13Å; V437-P439 VanDerWaalsContact O-N 3.15Å; V437-V441 HydrophobicContact CG1-CB 4Å; V437-V441 HydrophobicContact CG1-CG1 3.75Å
438	N	46.8	Very low	42.6	Very low	78 Å²	78	83.5 Å²	83.5	42%	0.417	46%	0.463	S	S	.	.			trans	-50.8	123.3	-179.2	179.7	-9.4	0	0	0	109.4	Q440 V441 L442	N438-Q440 PolarHBondContact ND2-OE1 3.26Å; N438-Q440 PolarHBondContact O-N 2.69Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.31Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.45Å; N438-Q440 PolarHBondContact OD1-N 3.45Å; N438-V441 HydrophobicContact CB-CB 4.4Å; N438-V441 HydrophobicContact CB-CG2 4.02Å; N438-V441 WeakPolarHBondContact O-CA 3.23Å; N438-V441 VanDerWaalsContact O-CB 3.25Å; N438-V441 WeakPolarHBondContact O-CB 3.47Å; N438-V441 PolarHBondContact O-N 3.09Å; N438-L442 PolarHBondContact O-N 3.24Å
439	P	46.3	Very low	42.7	Very low	78 Å²	78	89.4 Å²	89.4	51%	0.506	49%	0.486	S	S	.	.	H	α-helix	trans	-56	-22.7	179.3	18.1	-29.9	0	0	0	113	V437 L442 N443	V437-P439 VanDerWaalsContact O-N 3.15Å; P439-L442 PolarHBondContact O-N 3.45Å; P439-N443 WeakPolarHBondContact O-CB 3.43Å; P439-N443 PolarHBondContact O-N 3.39Å
440	Q	44.6	Very low	43	Very low	127 Å²	127	91.7 Å²	91.7	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-39.5	168.9	-66.3	175	-35.5	0	0	112.7	N438 N443 N444	N438-Q440 PolarHBondContact ND2-OE1 3.26Å; N438-Q440 PolarHBondContact O-N 2.69Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.31Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.45Å; N438-Q440 PolarHBondContact OD1-N 3.45Å; Q440-N443 PolarHBondContact O-N 3.04Å; Q440-N444 WeakPolarHBondContact O-CB 3.32Å; Q440-N444 PolarHBondContact O-N 2.82Å; Q440-N444 PolarHBondContact O-ND2 2.76Å; Q440-N444 PolarHBondContact O-OD1 3.09Å
441	V	50.7	Low	42.9	Very low	29 Å²	29	90.3 Å²	90.3	18%	0.176	48%	0.484	C	S	.	.	H	α-helix	trans	-64.6	-43.2	175.7	167.3	0	0	0	0	110.4	V437 N438 N444 I445 I465	V437-V441 HydrophobicContact CG1-CB 4Å; V437-V441 HydrophobicContact CG1-CG1 3.75Å; N438-V441 HydrophobicContact CB-CB 4.4Å; N438-V441 HydrophobicContact CB-CG2 4.02Å; N438-V441 WeakPolarHBondContact O-CA 3.23Å; N438-V441 VanDerWaalsContact O-CB 3.25Å; N438-V441 WeakPolarHBondContact O-CB 3.47Å; N438-V441 PolarHBondContact O-N 3.09Å; V441-N444 WeakPolarHBondContact O-CB 3.42Å; V441-N444 PolarHBondContact O-N 3Å; V441-I445 HydrophobicContact CG1-CD1 4.31Å; V441-I445 VanDerWaalsContact O-CG1 3.31Å; V441-I445 WeakPolarHBondContact O-CG1 3.36Å; V441-I445 PolarHBondContact O-N 3.15Å; V441-I465 HydrophobicContact CB-CD1 4.44Å; V441-I465 HydrophobicContact CG1-CB 4.18Å; V441-I465 HydrophobicContact CG1-CD1 3.64Å; V441-I465 HydrophobicContact CG1-CG1 3.7Å; V441-I465 HydrophobicContact CG1-CG2 3.36Å; V441-I465 HydrophobicContact CG2-CD1 4.14Å
442	L	51.4	Low	43.5	Very low	18 Å²	18	89 Å²	89	9%	0.094	47%	0.469	C	S	.	.	H	α-helix	trans	-64.7	-42.9	175.6	-169.4	72.4	0	0	0	112.1	I426 N438 P439 N444 I445 L446 L556	I426-L442 HydrophobicContact CD1-CD1 3.96Å; I426-L442 HydrophobicContact CG2-CD1 4.27Å; I426-L442 HydrophobicContact CG2-CD2 3.49Å; I426-L442 VanDerWaalsContact CG2-CD2 3.49Å; N438-L442 PolarHBondContact O-N 3.24Å; P439-L442 PolarHBondContact O-N 3.45Å; L442-N444 VanDerWaalsContact C-N 3.31Å; L442-N444 PolarHBondContact O-N 2.77Å; L442-I445 WeakPolarHBondContact O-CB 3.3Å; L442-I445 PolarHBondContact O-N 2.93Å; L442-L446 HydrophobicContact CG-CD1 4.21Å; L442-L446 WeakPolarHBondContact O-CB 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 2.79Å; L442-L556 HydrophobicContact CD1-CD1 3.64Å; L442-L556 HydrophobicContact CD1-CD2 4.32Å; L442-L556 HydrophobicContact CD2-CD2 4.39Å; L442-L556 HydrophobicContact CG-CD1 4.19Å
443	N	50.6	Low	43.9	Very low	101 Å²	101	85.2 Å²	85.2	54%	0.54	46%	0.464	S	S	.	.	H	α-helix	trans	-65.1	-34.3	174.2	-80.6	-11.7	0	0	0	112.2	P439 Q440 L446 S447	P439-N443 WeakPolarHBondContact O-CB 3.43Å; P439-N443 PolarHBondContact O-N 3.39Å; Q440-N443 PolarHBondContact O-N 3.04Å; N443-L446 PolarHBondContact O-N 2.87Å; N443-S447 VanDerWaalsContact O-CB 3.24Å; N443-S447 WeakPolarHBondContact O-CB 3.39Å; N443-S447 PolarHBondContact O-N 2.83Å; N443-S447 PolarHBondContact O-OG 3.46Å
444	N	52	Low	44.2	Very low	98 Å²	98	83 Å²	83	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-66.3	-39.8	173.3	-71.8	-18.8	0	0	0	111.3	Q440 V441 L442 S447 M448	Q440-N444 WeakPolarHBondContact O-CB 3.32Å; Q440-N444 PolarHBondContact O-N 2.82Å; Q440-N444 PolarHBondContact O-ND2 2.76Å; Q440-N444 PolarHBondContact O-OD1 3.09Å; V441-N444 WeakPolarHBondContact O-CB 3.42Å; V441-N444 PolarHBondContact O-N 3Å; L442-N444 VanDerWaalsContact C-N 3.31Å; L442-N444 PolarHBondContact O-N 2.77Å; N444-S447 WeakPolarHBondContact CA-OG 3.44Å; N444-S447 PolarHBondContact O-OG 3.18Å; N444-M448 WeakPolarHBondContact O-CG 3.15Å
445	I	52.7	Low	44.6	Very low	15 Å²	15	84.7 Å²	84.7	8%	0.077	46%	0.457	C	S	.	.	H	α-helix	trans	-63.4	-46.4	171.9	-68	168.1	0	0	0	110.9	V441 L442 S447 M448 I465 L560 L563	V441-I445 HydrophobicContact CG1-CD1 4.31Å; V441-I445 VanDerWaalsContact O-CG1 3.31Å; V441-I445 WeakPolarHBondContact O-CG1 3.36Å; V441-I445 PolarHBondContact O-N 3.15Å; L442-I445 WeakPolarHBondContact O-CB 3.3Å; L442-I445 PolarHBondContact O-N 2.93Å; I445-S447 PolarHBondContact O-N 3.16Å; I445-M448 PolarHBondContact O-N 2.86Å; I445-I465 HydrophobicContact CD1-CG2 3.59Å; I445-I465 HydrophobicContact CG1-CG2 4.08Å; I445-L560 HydrophobicContact CD1-CD2 4.36Å; I445-L560 HydrophobicContact CG2-CD2 4.05Å; I445-L563 HydrophobicContact CG2-CD1 3.4Å; I445-L563 VanDerWaalsContact CG2-CD1 3.4Å
446	L	52.2	Low	44.4	Very low	46 Å²	46	88.5 Å²	88.5	24%	0.241	48%	0.478	C	S	.	.	H	α-helix	trans	-68.7	-30.8	-176.9	-78.5	171.6	0	0	0	113.7	L442 N443 M448 L556 K559	L442-L446 HydrophobicContact CG-CD1 4.21Å; L442-L446 WeakPolarHBondContact O-CB 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 2.79Å; N443-L446 PolarHBondContact O-N 2.87Å; L446-M448 VanDerWaalsContact C-N 3.33Å; L446-L556 HydrophobicContact CD1-CD1 4Å; L446-L556 HydrophobicContact CD2-CB 3.98Å; L446-L556 HydrophobicContact CD2-CD1 3.36Å; L446-L556 HydrophobicContact CD2-CG 4.26Å; L446-L556 HydrophobicContact CG-CD1 3.66Å; L446-K559 HydrophobicContact CD2-CD 3.86Å; L446-K559 PolarHBondContact O-NZ 3.19Å
447	S	52.6	Low	44.5	Very low	80 Å²	80	87.3 Å²	87.3	56%	0.559	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.2	178.3	57.2	0	0	0	0	114	N443 N444 I445 Q449	N443-S447 VanDerWaalsContact O-CB 3.24Å; N443-S447 WeakPolarHBondContact O-CB 3.39Å; N443-S447 PolarHBondContact O-N 2.83Å; N443-S447 PolarHBondContact O-OG 3.46Å; N444-S447 WeakPolarHBondContact CA-OG 3.44Å; N444-S447 PolarHBondContact O-OG 3.18Å; I445-S447 PolarHBondContact O-N 3.16Å; S447-Q449 PolarHBondContact O-N 3.3Å
448	M	53.7	Low	44.4	Very low	62 Å²	62	94.4 Å²	94.4	31%	0.305	51%	0.51	S	S	.	.			trans	-68.3	95	170.5	-65.3	-168.4	96.8	0	0	109.5	N444 I445 L446 I462	N444-M448 WeakPolarHBondContact O-CG 3.15Å; I445-M448 PolarHBondContact O-N 2.86Å; L446-M448 VanDerWaalsContact C-N 3.33Å; M448-I462 HydrophobicContact CE-CD1 3.68Å; M448-I462 HydrophobicContact CE-CG2 4.27Å; M448-I462 HydrophobicContact SD-CD1 4.32Å; M448-I462 HydrophobicContact SD-CG2 4.08Å
449	Q	43.4	Very low	44.3	Very low	189 Å²	189	93.7 Å²	93.7	88%	0.883	50%	0.502	S	S	*	.			trans	-78.6	-28.7	-167.9	-134	165.8	1.2	0	0	113.6	S447	S447-Q449 PolarHBondContact O-N 3.3Å
450	S	39	Very low	44.2	Very low	87 Å²	87	92 Å²	92	61%	0.608	50%	0.5	S	S	*	.	S	Bend	trans	-178.5	157.1	176.4	49.1	0	0	0	0	107.6
451	D	35.5	Very low	44.4	Very low	103 Å²	103	91.8 Å²	91.8	55%	0.551	50%	0.502	S	S	*	.			trans	80.8	69.1	164.7	-44.9	-41.1	0	0	0	117.4	N453 Y459	D451-N453 PolarHBondContact O-N 2.67Å; D451-Y459 PolarHBondContact O-OH 2.87Å
452	L	43	Very low	44.4	Very low	70 Å²	70	92.2 Å²	92.2	37%	0.366	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	9	150.9	-88.7	130.9	0	0	0	114.2	Y459 L563 I566	L452-Y459 WeakPolarHBondContact CA-OH 3.26Å; L452-Y459 HydrophobicContact CD2-CE1 4.03Å; L452-L563 HydrophobicContact CD1-CD2 3.58Å; L452-L563 HydrophobicContact CD2-CD2 4.43Å; L452-I566 HydrophobicContact CD1-CD1 3.61Å; L452-I566 HydrophobicContact CD2-CG2 4.38Å
453	N	36.7	Very low	44.7	Very low	123 Å²	123	94.3 Å²	94.3	66%	0.658	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.2	180	-72.7	-12.4	0	0	0	114	D451	D451-N453 PolarHBondContact O-N 2.67Å
454	S	33.1	Very low	45.2	Very low	59 Å²	59	94.1 Å²	94.1	41%	0.413	52%	0.519	S	S	.	.			trans	-99	109.1	179.7	59.1	0	0	0	0	111.2	N456 Y459	S454-N456 PolarHBondContact O-N 2.85Å; S454-Y459 WeakPolarHBondContact O-CE2 3.28Å
455	H	35.2	Very low	45.5	Very low	191 Å²	191	90.9 Å²	90.9	88%	0.884	50%	0.501	S	S	*	.			trans	-64.9	90.1	168.7	-73	-43	0	0	0	110.5
456	N	32.4	Very low	46.1	Very low	118 Å²	118	90.6 Å²	90.6	63%	0.631	50%	0.5	S	S	*	.			trans	-134.6	131.1	171.3	-95.4	-22.2	0	0	0	111.9	S454 K458 Y459	S454-N456 PolarHBondContact O-N 2.85Å; N456-K458 PolarHBondContact O-N 3.46Å; N456-Y459 WeakPolarHBondContact O-CD2 3.34Å; N456-Y459 PolarHBondContact O-N 3.49Å
457	S	38.2	Very low	46.8	Very low	129 Å²	129	88.6 Å²	88.6	90%	0.902	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-1.9	-170.3	52.2	0	0	0	0	119.8	Y459	S457-Y459 PolarHBondContact O-N 3.22Å
458	K	41.9	Very low	47.5	Very low	181 Å²	181	90.6 Å²	90.6	79%	0.787	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.1	166.3	-78.3	-176	175.8	179.7	0	114.4	N456 G460	N456-K458 PolarHBondContact O-N 3.46Å; K458-G460 VanDerWaalsContact C-N 3.35Å; K458-G460 PolarHBondContact O-N 3.11Å
459	Y	45.1	Very low	48.3	Very low	63 Å²	63	88.7 Å²	88.7	25%	0.247	48%	0.482	C	S	.	.	H	α-helix	trans	-70	-18.5	-177.5	-87.4	-82.7	0	0	0	116	D451 L452 S454 N456 S457 N461 I462 S463	D451-Y459 PolarHBondContact O-OH 2.87Å; L452-Y459 WeakPolarHBondContact CA-OH 3.26Å; L452-Y459 HydrophobicContact CD2-CE1 4.03Å; S454-Y459 WeakPolarHBondContact O-CE2 3.28Å; N456-Y459 WeakPolarHBondContact O-CD2 3.34Å; N456-Y459 PolarHBondContact O-N 3.49Å; S457-Y459 PolarHBondContact O-N 3.22Å; Y459-N461 PolarHBondContact O-N 2.86Å; Y459-I462 PolarHBondContact O-N 3.12Å; Y459-S463 PolarHBondContact O-N 2.77Å
460	G	45	Very low	49.7	Very low	44 Å²	44	79.7 Å²	79.7	45%	0.454	44%	0.44	S	S	.	.	H	α-helix	trans	-56.5	-49.3	-179	0	0	0	0	0	112.3	K458 N464	K458-G460 VanDerWaalsContact C-N 3.35Å; K458-G460 PolarHBondContact O-N 3.11Å; G460-N464 WeakPolarHBondContact O-CB 3.44Å; G460-N464 PolarHBondContact O-N 2.85Å; G460-N464 PolarHBondContact O-ND2 2.97Å; G460-N464 PolarHBondContact O-OD1 2.86Å
461	N	49.2	Very low	51.4	Low	121 Å²	121	78 Å²	78	65%	0.647	42%	0.42	S	S	*	.	H	α-helix	trans	-67.4	-39.7	176.4	-88.1	-10.4	0	0	0	112.3	Y459 N464 I465	Y459-N461 PolarHBondContact O-N 2.86Å; N461-N464 PolarHBondContact O-N 3Å; N461-I465 HydrophobicContact CB-CD1 4.36Å; N461-I465 WeakPolarHBondContact O-CB 3.4Å; N461-I465 VanDerWaalsContact O-CD1 3.23Å; N461-I465 WeakPolarHBondContact O-CD1 3.43Å; N461-I465 WeakPolarHBondContact O-CG1 3.46Å; N461-I465 PolarHBondContact O-N 3.36Å
462	I	50.6	Low	53.4	Low	39 Å²	39	73.2 Å²	73.2	20%	0.2	40%	0.395	C	S	.	.	H	α-helix	trans	-69.6	-41.8	-175.7	-63.4	159.1	0	0	0	111.3	M448 Y459 N464 I465 V466	M448-I462 HydrophobicContact CE-CD1 3.68Å; M448-I462 HydrophobicContact CE-CG2 4.27Å; M448-I462 HydrophobicContact SD-CD1 4.32Å; M448-I462 HydrophobicContact SD-CG2 4.08Å; Y459-I462 PolarHBondContact O-N 3.12Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.72Å; I462-I465 PolarHBondContact O-N 3.48Å; I462-V466 HydrophobicContact CG2-CG2 4.34Å; I462-V466 WeakPolarHBondContact O-CB 3.31Å; I462-V466 VanDerWaalsContact O-CG2 3.31Å; I462-V466 WeakPolarHBondContact O-CG2 3.31Å; I462-V466 PolarHBondContact O-N 3.22Å
463	S	57.3	Low	55.4	Low	62 Å²	62	70.3 Å²	70.3	43%	0.434	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.5	104.8	0	0	0	0	111.1	Y459 G467	Y459-S463 PolarHBondContact O-N 2.77Å; S463-G467 WeakPolarHBondContact O-CA 3.43Å; S463-G467 PolarHBondContact O-N 2.87Å
464	N	59.9	Low	57.7	Low	97 Å²	97	70 Å²	70	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-45.1	175.7	-70.6	-6	0	0	0	111	G460 N461 I462 G467 E468	G460-N464 WeakPolarHBondContact O-CB 3.44Å; G460-N464 PolarHBondContact O-N 2.85Å; G460-N464 PolarHBondContact O-ND2 2.97Å; G460-N464 PolarHBondContact O-OD1 2.86Å; N461-N464 PolarHBondContact O-N 3Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.72Å; N464-G467 CarbonylContact O-C 3.51Å; N464-G467 WeakPolarHBondContact O-CA 3.47Å; N464-G467 PolarHBondContact O-N 3.36Å; N464-E468 WeakPolarHBondContact O-CG 3.44Å; N464-E468 PolarHBondContact O-N 3.23Å
465	I	57.9	Low	60.3	Low	29 Å²	29	70.4 Å²	70.4	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-46.5	178.4	-71.8	158.4	0	0	0	111.6	V441 I445 N461 I462 G467 E468 L469	V441-I465 HydrophobicContact CB-CD1 4.44Å; V441-I465 HydrophobicContact CG1-CB 4.18Å; V441-I465 HydrophobicContact CG1-CD1 3.64Å; V441-I465 HydrophobicContact CG1-CG1 3.7Å; V441-I465 HydrophobicContact CG1-CG2 3.36Å; V441-I465 HydrophobicContact CG2-CD1 4.14Å; I445-I465 HydrophobicContact CD1-CG2 3.59Å; I445-I465 HydrophobicContact CG1-CG2 4.08Å; N461-I465 HydrophobicContact CB-CD1 4.36Å; N461-I465 WeakPolarHBondContact O-CB 3.4Å; N461-I465 VanDerWaalsContact O-CD1 3.23Å; N461-I465 WeakPolarHBondContact O-CD1 3.43Å; N461-I465 WeakPolarHBondContact O-CG1 3.46Å; N461-I465 PolarHBondContact O-N 3.36Å; I462-I465 PolarHBondContact O-N 3.48Å; I465-G467 VanDerWaalsContact C-N 3.29Å; I465-G467 PolarHBondContact O-N 2.87Å; I465-E468 PolarHBondContact O-N 3.17Å; I465-L469 PolarHBondContact O-N 3.16Å
466	V	65.9	Low	62.9	Low	10 Å²	10	62.5 Å²	62.5	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-36.2	177.1	177.2	0	0	0	0	110.4	I462 L469 A470 L563 F567	I462-V466 HydrophobicContact CG2-CG2 4.34Å; I462-V466 WeakPolarHBondContact O-CB 3.31Å; I462-V466 VanDerWaalsContact O-CG2 3.31Å; I462-V466 WeakPolarHBondContact O-CG2 3.31Å; I462-V466 PolarHBondContact O-N 3.22Å; V466-L469 PolarHBondContact O-N 3.1Å; V466-A470 WeakPolarHBondContact O-CB 3.44Å; V466-A470 PolarHBondContact O-N 3.46Å; V466-L563 HydrophobicContact CG2-CB 4.48Å; V466-F567 HydrophobicContact CB-CD2 4.31Å; V466-F567 HydrophobicContact CG1-CB 3.66Å; V466-F567 HydrophobicContact CG1-CD2 3.7Å; V466-F567 HydrophobicContact CG1-CG 3.79Å
467	G	67.2	Low	65.6	Low	4 Å²	4	60.1 Å²	60.1	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-56.6	170.3	0	0	0	0	0	111.4	S463 N464 I465 L469 A470 Y471	S463-G467 WeakPolarHBondContact O-CA 3.43Å; S463-G467 PolarHBondContact O-N 2.87Å; N464-G467 CarbonylContact O-C 3.51Å; N464-G467 WeakPolarHBondContact O-CA 3.47Å; N464-G467 PolarHBondContact O-N 3.36Å; I465-G467 VanDerWaalsContact C-N 3.29Å; I465-G467 PolarHBondContact O-N 2.87Å; G467-L469 VanDerWaalsContact C-N 3.27Å; G467-L469 PolarHBondContact O-N 2.84Å; G467-A470 CarbonylContact O-C 3.55Å; G467-A470 WeakPolarHBondContact O-CA 3.37Å; G467-A470 WeakPolarHBondContact O-CB 3.23Å; G467-A470 PolarHBondContact O-N 2.83Å; G467-Y471 WeakPolarHBondContact O-CD2 3.1Å; G467-Y471 PolarHBondContact O-N 3.38Å
468	E	66.8	Low	68.1	Low	121 Å²	121	57.3 Å²	57.3	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-52.4	-44.9	177.7	-77.6	-173.7	169.2	0	0	112	N464 I465 Y471 S472	N464-E468 WeakPolarHBondContact O-CG 3.44Å; N464-E468 PolarHBondContact O-N 3.23Å; I465-E468 PolarHBondContact O-N 3.17Å; E468-Y471 PolarHBondContact O-N 3.44Å; E468-S472 PolarHBondContact O-N 3.42Å; E468-S472 VanDerWaalsContact O-N 3.09Å
469	L	71.4	Confident	70.3	Confident	22 Å²	22	55.4 Å²	55.4	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-48.1	173.7	-177.2	71.8	0	0	0	111.9	Y424 I465 V466 G467 Y471 S472 F473 L560 L564	Y424-L469 HydrophobicContact CD2-CD1 4.04Å; I465-L469 PolarHBondContact O-N 3.16Å; V466-L469 PolarHBondContact O-N 3.1Å; G467-L469 VanDerWaalsContact C-N 3.27Å; G467-L469 PolarHBondContact O-N 2.84Å; L469-Y471 VanDerWaalsContact C-N 3.26Å; L469-Y471 PolarHBondContact O-N 3.47Å; L469-S472 WeakPolarHBondContact O-CB 3.25Å; L469-S472 PolarHBondContact O-N 2.89Å; L469-S472 VanDerWaalsContact O-N 3.14Å; L469-S472 PolarHBondContact O-OG 3.23Å; L469-F473 WeakPolarHBondContact O-CD2 3.29Å; L469-L560 HydrophobicContact CD2-CD2 3.61Å; L469-L564 HydrophobicContact CD2-CD1 4.21Å; L469-L564 HydrophobicContact CD2-CD2 4.29Å; L469-L564 HydrophobicContact CD2-CG 4.22Å
470	A	72.9	Confident	72	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-36.4	179.1	0	0	0	0	0	112.2	V466 G467 S472 L564 F567 W568	V466-A470 WeakPolarHBondContact O-CB 3.44Å; V466-A470 PolarHBondContact O-N 3.46Å; G467-A470 CarbonylContact O-C 3.55Å; G467-A470 WeakPolarHBondContact O-CA 3.37Å; G467-A470 WeakPolarHBondContact O-CB 3.23Å; G467-A470 PolarHBondContact O-N 2.83Å; A470-S472 VanDerWaalsContact C-N 3.3Å; A470-S472 PolarHBondContact O-N 2.75Å; A470-L564 HydrophobicContact CB-CD2 3.79Å; A470-F567 HydrophobicContact CB-CD1 4.03Å; A470-F567 HydrophobicContact CB-CE1 3.83Å; A470-W568 HydrophobicContact CB-CZ2 3.84Å
471	Y	73.7	Confident	73.8	Confident	50 Å²	50	60.1 Å²	60.1	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-78.2	-9.2	177.8	-68.5	-60.7	0	0	0	114.5	G467 E468 L469 F473 D588 S591 R592	G467-Y471 WeakPolarHBondContact O-CD2 3.1Å; G467-Y471 PolarHBondContact O-N 3.38Å; E468-Y471 PolarHBondContact O-N 3.44Å; L469-Y471 VanDerWaalsContact C-N 3.26Å; L469-Y471 PolarHBondContact O-N 3.47Å; Y471-F473 VanDerWaalsContact C-N 3.34Å; Y471-D588 WeakPolarHBondContact CD1-OD1 2.85Å; Y471-D588 HydrophobicContact CE1-CB 4.31Å; Y471-D588 WeakPolarHBondContact CE1-O 3.18Å; Y471-D588 WeakPolarHBondContact CE1-OD1 3.46Å; Y471-S591 WeakPolarHBondContact CE1-OG 3.39Å; Y471-S591 PolarHBondContact OH-OG 3.41Å; Y471-S591 VanDerWaalsContact OH-OG 3.07Å; Y471-R592 PolarHBondContact O-NH2 2.8Å
472	S	78.4	Confident	75.4	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.021	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11	-176.3	75	0	0	0	0	114.7	P422 T423 Y424 E468 L469 A470 Q474	P422-S472 WeakPolarHBondContact CB-OG 3.33Å; T423-S472 WeakPolarHBondContact CG2-O 3.49Å; T423-S472 PolarHBondContact N-O 3.24Å; T423-S472 PolarHBondContact OG1-O 3.01Å; Y424-S472 WeakPolarHBondContact CD2-OG 3.27Å; Y424-S472 VanDerWaalsContact CE2-OG 3.31Å; Y424-S472 WeakPolarHBondContact CE2-OG 3.37Å; Y424-S472 VanDerWaalsContact CZ-CB 3.43Å; E468-S472 PolarHBondContact O-N 3.42Å; E468-S472 VanDerWaalsContact O-N 3.09Å; L469-S472 WeakPolarHBondContact O-CB 3.25Å; L469-S472 PolarHBondContact O-N 2.89Å; L469-S472 VanDerWaalsContact O-N 3.14Å; L469-S472 PolarHBondContact O-OG 3.23Å; A470-S472 VanDerWaalsContact C-N 3.3Å; A470-S472 PolarHBondContact O-N 2.75Å; S472-Q474 PolarHBondContact O-N 3.28Å
473	F	83.7	Confident	77.1	Confident	10 Å²	10	55.8 Å²	55.8	4%	0.044	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125.7	-177.6	-79.2	-106.8	0	0	0	110.7	F420 R421 P422 L469 Y471 L516 E518 F537 L564	F420-F473 HydrophobicContact CB-CB 4.24Å; F420-F473 HydrophobicContact CB-CD1 4.11Å; R421-F473 WeakPolarHBondContact O-CA 3.37Å; P422-F473 HydrophobicContact CB-CD2 4.23Å; P422-F473 HydrophobicContact CB-CE2 4.06Å; P422-F473 HydrophobicContact CB-CZ 4.28Å; P422-F473 HydrophobicContact CG-CE1 4.39Å; P422-F473 HydrophobicContact CG-CE2 4.45Å; P422-F473 HydrophobicContact CG-CZ 4.17Å; L469-F473 WeakPolarHBondContact O-CD2 3.29Å; Y471-F473 VanDerWaalsContact C-N 3.34Å; F473-L516 HydrophobicContact CZ-CD2 3.89Å; F473-L516 HydrophobicContact CZ-CG 4.38Å; F473-E518 HydrophobicContact CD1-CB 3.65Å; F473-E518 VanDerWaalsContact CD1-OE2 3.29Å; F473-E518 WeakPolarHBondContact CD1-OE2 3.23Å; F473-E518 HydrophobicContact CE1-CB 3.56Å; F473-E518 WeakPolarHBondContact CG-OE2 3.4Å; F473-F537 HydrophobicContact CE1-CD1 4.41Å; F473-F537 HydrophobicContact CE1-CE1 4.02Å; F473-F537 HydrophobicContact CZ-CD1 4.37Å; F473-F537 AromaticContact CZ-CE1 3.84Å; F473-F537 HydrophobicContact CZ-CE1 3.84Å; F473-L564 HydrophobicContact CE2-CD1 4.14Å; F473-L564 HydrophobicContact CZ-CD1 4.06Å
474	Q	85.3	Confident	78.7	Confident	115 Å²	115	53.9 Å²	53.9	54%	0.537	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.5	174.1	-75.6	-176.1	-6	0	0	110	F420 R421 T423 S472 I476	F420-Q474 CarbonylContact C-O 3.55Å; F420-Q474 VanDerWaalsContact CA-O 3.22Å; F420-Q474 WeakPolarHBondContact CA-O 3.47Å; R421-Q474 PolarHBondContact N-O 3.26Å; R421-Q474 PolarHBondContact O-N 3.27Å; T423-Q474 HydrophobicContact CG2-CB 4.18Å; T423-Q474 HydrophobicContact CG2-CG 3.49Å; T423-Q474 VanDerWaalsContact CG2-CG 3.49Å; T423-Q474 VanDerWaalsContact CG2-NE2 3.34Å; S472-Q474 PolarHBondContact O-N 3.28Å; Q474-I476 PolarHBondContact O-N 3.36Å
475	Q	89.2	Confident	80.3	Confident	69 Å²	69	50.1 Å²	50.1	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.5	174.5	-174.6	178.1	8	0	0	109.3	D418 F420	D418-Q475 HydrophobicContact CB-CG 4.33Å; D418-Q475 PolarHBondContact OD1-NE2 2.94Å; D418-Q475 PolarHBondContact OD2-NE2 3.27Å; F420-Q475 VanDerWaalsContact CD1-CA 3.5Å; F420-Q475 HydrophobicContact CD1-CB 3.99Å; F420-Q475 VanDerWaalsContact CD1-N 3.27Å; F420-Q475 HydrophobicContact CE1-CB 3.63Å; F420-Q475 HydrophobicContact CE1-CG 4.35Å; F420-Q475 HydrophobicContact CZ-CB 4.01Å; F420-Q475 HydrophobicContact CZ-CG 4.24Å
476	I	89.7	Confident	82	Confident	24 Å²	24	50 Å²	50	12%	0.123	27%	0.273	C	S	.	.			trans	-75.5	130	172.5	-50.9	178.5	0	0	0	107	W419 R421 Q474 I484 I486 L504 Y517	W419-I476 HydrophobicContact CB-CD1 3.97Å; W419-I476 HydrophobicContact CB-CG1 4.4Å; W419-I476 PolarHBondContact O-N 3.42Å; R421-I476 HydrophobicContact CB-CD1 3.98Å; R421-I476 HydrophobicContact CB-CG1 4.02Å; Q474-I476 PolarHBondContact O-N 3.36Å; I476-I484 HydrophobicContact CG2-CG2 4.24Å; I476-I486 HydrophobicContact CB-CD1 3.94Å; I476-I486 HydrophobicContact CG2-CD1 3.86Å; I476-I486 WeakPolarHBondContact O-CD1 2.98Å; I476-L504 HydrophobicContact CB-CD1 4.33Å; I476-L504 HydrophobicContact CD1-CD1 3.52Å; I476-L504 HydrophobicContact CG2-CD1 3.94Å; I476-Y517 HydrophobicContact CD1-CD1 3.66Å; I476-Y517 HydrophobicContact CD1-CE1 3.56Å
477	T	88.9	Confident	83.2	Confident	69 Å²	69	56.2 Å²	56.2	42%	0.423	30%	0.296	S	S	.	.			trans	-111.5	154.5	174.6	56	0	0	0	0	110.1	R479	T477-R479 PolarHBondContact O-N 2.75Å
478	S	89.4	Confident	84.4	Confident	69 Å²	69	61.9 Å²	61.9	48%	0.483	32%	0.319	S	S	.	.			trans	-60.6	126.3	175.6	-167.7	0	0	0	0	109.9
479	R	87.8	Confident	85.4	Confident	141 Å²	141	61.3 Å²	61.3	53%	0.532	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-138.6	82	-179.3	-67	-177.9	-171.1	-171.8	1.9	108.7	T477 S481 V482 G483 I484	T477-R479 PolarHBondContact O-N 2.75Å; R479-S481 PolarHBondContact O-N 2.85Å; R479-V482 HydrophobicContact CB-CG2 4.31Å; R479-V482 PolarHBondContact O-N 2.66Å; R479-G483 PolarHBondContact O-N 2.79Å; R479-I484 CarbonylContact C-O 3.57Å; R479-I484 PolarHBondContact N-O 2.9Å; R479-I484 PolarHBondContact O-N 3.07Å; R479-I484 VanDerWaalsContact O-N 3.16Å
480	S	82.7	Confident	86	Confident	94 Å²	94	65.1 Å²	65.1	66%	0.657	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-56.5	-33.7	-179.2	53	0	0	0	0	112.9	V482 G483	S480-V482 PolarHBondContact O-N 2.82Å; S480-G483 PolarHBondContact O-N 3.03Å
481	S	82.5	Confident	86.4	Confident	113 Å²	113	67.1 Å²	67.1	79%	0.79	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-61	-24	176.6	58.3	0	0	0	0	114.3	R479	R479-S481 PolarHBondContact O-N 2.85Å
482	V	81.8	Confident	86.6	Confident	60 Å²	60	67.7 Å²	67.7	36%	0.364	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-104	-2.4	178.6	-162.6	0	0	0	0	111.4	R479 S480 K510	R479-V482 HydrophobicContact CB-CG2 4.31Å; R479-V482 PolarHBondContact O-N 2.66Å; S480-V482 PolarHBondContact O-N 2.82Å; V482-K510 PolarHBondContact O-NZ 3Å
483	G	86.6	Confident	86.3	Confident	8 Å²	8	71.3 Å²	71.3	8%	0.082	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	18.3	-177.3	0	0	0	0	0	114.2	R479 S480 V506 Q507	R479-G483 PolarHBondContact O-N 2.79Å; S480-G483 PolarHBondContact O-N 3.03Å; G483-V506 WeakPolarHBondContact O-CA 3.42Å; G483-Q507 PolarHBondContact O-N 2.98Å
484	I	90.4	Very high	85.5	Confident	22 Å²	22	78.1 Å²	78.1	11%	0.113	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.3	177.3	-58.5	176.4	0	0	0	108.8	I476 R479 L504 T505 V506	I476-I484 HydrophobicContact CG2-CG2 4.24Å; R479-I484 CarbonylContact C-O 3.57Å; R479-I484 PolarHBondContact N-O 2.9Å; R479-I484 PolarHBondContact O-N 3.07Å; R479-I484 VanDerWaalsContact O-N 3.16Å; I484-L504 HydrophobicContact CG2-CG 4.46Å; I484-T505 WeakPolarHBondContact CA-O 3.41Å; I484-V506 HydrophobicContact CG1-CG2 4.4Å
485	T	93.8	Very high	84.7	Confident	19 Å²	19	79.2 Å²	79.2	12%	0.117	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.7	174.9	47	0	0	0	0	110.3	T505	T485-T505 PolarHBondContact N-O 3.43Å; T485-T505 PolarHBondContact O-N 2.98Å; T485-T505 WeakPolarHBondContact OG1-CB 3.46Å; T485-T505 PolarHBondContact OG1-O 2.94Å
486	I	93.2	Very high	83.8	Confident	25 Å²	25	84.6 Å²	84.6	13%	0.128	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.2	176.9	-65.2	-172.2	0	0	0	108.8	I476 K488 V502 L503	I476-I486 HydrophobicContact CB-CD1 3.94Å; I476-I486 HydrophobicContact CG2-CD1 3.86Å; I476-I486 WeakPolarHBondContact O-CD1 2.98Å; I486-K488 HydrophobicContact CG2-CG 4.19Å; I486-V502 HydrophobicContact CG2-CG1 3.66Å; I486-L503 WeakPolarHBondContact CA-O 3.3Å
487	Y	92.8	Very high	83.1	Confident	142 Å²	142	85.9 Å²	85.9	56%	0.557	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.8	172.6	-58.6	-84.4	0	0	0	108.4	V502 L503	Y487-V502 WeakPolarHBondContact O-CA 3.49Å; Y487-L503 HydrophobicContact CD2-CD2 4.23Å; Y487-L503 PolarHBondContact N-O 2.84Å; Y487-L503 PolarHBondContact O-N 3.2Å
488	K	91.8	Very high	82.7	Confident	122 Å²	122	85.8 Å²	85.8	53%	0.53	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.9	174.7	-47.5	-161.2	-175.9	-176.4	0	108.7	D418 I486 E501 V502	D418-K488 WeakPolarHBondContact OD1-CE 3.45Å; D418-K488 IonicContact OD1-NZ 2.7Å; D418-K488 PolarHBondContact OD1-NZ 2.72Å; D418-K488 IonicContact OD2-NZ 2.75Å; D418-K488 PolarHBondContact OD2-NZ 2.74Å; I486-K488 HydrophobicContact CG2-CG 4.19Å; K488-E501 WeakPolarHBondContact CA-O 3.36Å; K488-V502 HydrophobicContact CB-CG2 3.98Å; K488-V502 HydrophobicContact CD-CG2 3.87Å; K488-V502 HydrophobicContact CG-CG1 4.46Å; K488-V502 HydrophobicContact CG-CG2 3.66Å
489	Q	86.7	Confident	82.5	Confident	109 Å²	109	85.6 Å²	85.6	51%	0.509	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.6	-178.7	178.9	173.7	-15.4	0	0	109.9	T491 E501	Q489-T491 HydrophobicContact CG-CG2 3.94Å; Q489-E501 PolarHBondContact N-O 2.84Å; Q489-E501 PolarHBondContact O-N 2.79Å
490	V	84.1	Confident	82.5	Confident	103 Å²	103	79.7 Å²	79.7	62%	0.624	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	168.6	-177.6	0	0	0	0	107.4	Y498 R499	V490-Y498 HydrophobicContact CG1-CD1 4.31Å; V490-R499 WeakPolarHBondContact CA-O 3.44Å
491	T	81.6	Confident	82.9	Confident	42 Å²	42	77 Å²	77	26%	0.258	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.3	177.8	46.9	0	0	0	0	109.9	Q489 Y498 R499	Q489-T491 HydrophobicContact CG-CG2 3.94Å; T491-Y498 CarbonylContact O-C 3.53Å; T491-Y498 WeakPolarHBondContact O-CA 3.37Å; T491-R499 PolarHBondContact N-O 2.79Å; T491-R499 PolarHBondContact O-N 3.1Å; T491-R499 WeakPolarHBondContact OG1-CB 3.38Å; T491-R499 PolarHBondContact OG1-O 2.81Å
492	G	77.7	Confident	83.4	Confident	62 Å²	62	71.7 Å²	71.7	64%	0.639	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.4	166.9	0	0	0	0	0	109.5
493	E	73.4	Confident	84	Confident	79 Å²	79	71 Å²	71	37%	0.369	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	167.7	174	-68	-168.1	164.1	0	0	111.2	Y406 N497 R499	Y406-E493 VanDerWaalsContact CE1-OE1 3.31Å; Y406-E493 WeakPolarHBondContact CE1-OE1 3.45Å; Y406-E493 WeakPolarHBondContact CE1-OE2 3.31Å; E493-N497 HydrophobicContact CB-CB 4.27Å; E493-N497 PolarHBondContact N-O 2.86Å; E493-R499 HydrophobicContact CG-CB 4.48Å
494	L	66.2	Low	84.5	Confident	154 Å²	154	70.7 Å²	70.7	81%	0.806	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	152.2	172.2	-66.7	165	0	0	0	109.9
495	N	69.5	Low	84.7	Confident	137 Å²	137	70.9 Å²	70.9	73%	0.733	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	34.4	-179.7	-50.8	-27	0	0	0	116	N497	N495-N497 PolarHBondContact O-N 2.04Å
496	Y	69.6	Low	84.7	Confident	182 Å²	182	70 Å²	70	71%	0.714	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	30.8	176.3	-53.2	-83.7	0	0	0	113.9	K409	K409-Y496 WeakPolarHBondContact CB-O 3.07Å; K409-Y496 HydrophobicContact CD-CD1 4.05Å; K409-Y496 PolarHBondContact N-O 2.79Å
497	N	75	Confident	84.7	Confident	51 Å²	51	74.6 Å²	74.6	27%	0.273	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.2	172.9	-69.2	-23	0	0	0	110.1	V407 T408 E493 N495	V407-N497 CarbonylContact O-C 3.55Å; V407-N497 WeakPolarHBondContact O-CA 3.33Å; T408-N497 WeakPolarHBondContact CG2-OD1 3.27Å; E493-N497 HydrophobicContact CB-CB 4.27Å; E493-N497 PolarHBondContact N-O 2.86Å; N495-N497 PolarHBondContact O-N 2.04Å
498	Y	79.8	Confident	84.7	Confident	68 Å²	68	70.3 Å²	70.3	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.1	169.1	-66.1	-82.4	0	0	0	109.1	V407 K409 S412 V490 T491	V407-Y498 PolarHBondContact N-O 3.17Å; V407-Y498 PolarHBondContact O-N 2.52Å; K409-Y498 HydrophobicContact CB-CD2 4.12Å; K409-Y498 HydrophobicContact CB-CE2 3.58Å; K409-Y498 HydrophobicContact CD-CE2 3.84Å; K409-Y498 WeakPolarHBondContact CE-OH 3.12Å; K409-Y498 HydrophobicContact CG-CE2 3.61Å; S412-Y498 WeakPolarHBondContact OG-CD2 2.92Å; V490-Y498 HydrophobicContact CG1-CD1 4.31Å; T491-Y498 CarbonylContact O-C 3.53Å; T491-Y498 WeakPolarHBondContact O-CA 3.37Å
499	R	85.2	Confident	84.7	Confident	64 Å²	64	64.6 Å²	64.6	24%	0.242	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.4	167.5	176.1	-173.4	176	173.3	-7.1	108.4	V405 Y406 V490 T491 E493 E501	V405-R499 WeakPolarHBondContact O-CA 3.32Å; Y406-R499 HydrophobicContact CD1-CB 3.95Å; Y406-R499 HydrophobicContact CD1-CG 4.2Å; Y406-R499 HydrophobicContact CE1-CB 3.91Å; Y406-R499 HydrophobicContact CE1-CG 3.87Å; Y406-R499 HydrophobicContact CE2-CG 4.49Å; Y406-R499 PolarHBondContact OH-NE 3.19Å; Y406-R499 PolarHBondContact OH-NH1 2.84Å; V490-R499 WeakPolarHBondContact CA-O 3.44Å; T491-R499 PolarHBondContact N-O 2.79Å; T491-R499 PolarHBondContact O-N 3.1Å; T491-R499 WeakPolarHBondContact OG1-CB 3.38Å; T491-R499 PolarHBondContact OG1-O 2.81Å; E493-R499 HydrophobicContact CG-CB 4.48Å; R499-E501 IonicContact CZ-OE1 3.64Å; R499-E501 IonicContact NE-OE1 2.72Å; R499-E501 IonicContact NH2-OE1 2.68Å; R499-E501 PolarHBondContact NH2-OE1 3.01Å; R499-E501 IonicContact NH2-OE2 3.97Å
500	S	87.6	Confident	84.7	Confident	18 Å²	18	63.9 Å²	63.9	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.9	170.6	-172.3	0	0	0	0	108.7	S404 V405	S404-S500 CarbonylContact C-O 3.6Å; S404-S500 VanDerWaalsContact CA-O 3.25Å; S404-S500 WeakPolarHBondContact CA-O 3.24Å; V405-S500 PolarHBondContact N-O 3.22Å; V405-S500 PolarHBondContact O-N 3.43Å
501	E	91	Very high	84.5	Confident	37 Å²	37	62.9 Å²	62.9	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.6	-173.2	-178.5	165.6	-115.8	0	0	111	T402 C403 K488 Q489 R499	T402-E501 VanDerWaalsContact CG2-CD 3.48Å; T402-E501 HydrophobicContact CG2-CG 3.56Å; T402-E501 WeakPolarHBondContact CG2-OE1 3.03Å; C403-E501 CarbonylContact O-C 3.55Å; C403-E501 WeakPolarHBondContact O-CA 3.32Å; K488-E501 WeakPolarHBondContact CA-O 3.36Å; Q489-E501 PolarHBondContact N-O 2.84Å; Q489-E501 PolarHBondContact O-N 2.79Å; R499-E501 IonicContact CZ-OE1 3.64Å; R499-E501 IonicContact NE-OE1 2.72Å; R499-E501 IonicContact NH2-OE1 2.68Å; R499-E501 PolarHBondContact NH2-OE1 3.01Å; R499-E501 IonicContact NH2-OE2 3.97Å
502	V	94.1	Very high	84.5	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.2	170	174.7	0	0	0	0	110.2	C403 V417 W419 I486 Y487 K488	C403-V502 PolarHBondContact N-O 2.85Å; C403-V502 PolarHBondContact O-N 3.44Å; V417-V502 HydrophobicContact CG1-CB 4.35Å; V417-V502 HydrophobicContact CG1-CG2 3.8Å; V417-V502 WeakPolarHBondContact O-CG2 3.05Å; W419-V502 PolarHBondContact NE1-O 2.6Å; I486-V502 HydrophobicContact CG2-CG1 3.66Å; Y487-V502 WeakPolarHBondContact O-CA 3.49Å; K488-V502 HydrophobicContact CB-CG2 3.98Å; K488-V502 HydrophobicContact CD-CG2 3.87Å; K488-V502 HydrophobicContact CG-CG1 4.46Å; K488-V502 HydrophobicContact CG-CG2 3.66Å
503	L	94.8	Very high	84.9	Confident	46 Å²	46	62.2 Å²	62.2	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.6	176.8	174.4	66	0	0	0	109.1	N400 L401 I486 Y487	N400-L503 HydrophobicContact CB-CD1 3.81Å; L401-L503 WeakPolarHBondContact O-CA 3.07Å; I486-L503 WeakPolarHBondContact CA-O 3.3Å; Y487-L503 HydrophobicContact CD2-CD2 4.23Å; Y487-L503 PolarHBondContact N-O 2.84Å; Y487-L503 PolarHBondContact O-N 3.2Å
504	L	95.3	Very high	85.3	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.6	166.8	177.9	154.3	0	0	0	108.4	N400 L401 W419 I476 I484 V506 Y517	N400-L504 CarbonylContact C-O 3.6Å; N400-L504 VanDerWaalsContact CA-O 3.31Å; N400-L504 WeakPolarHBondContact CA-O 3.48Å; L401-L504 HydrophobicContact CB-CB 4.33Å; L401-L504 HydrophobicContact CB-CD2 4.45Å; L401-L504 HydrophobicContact CD1-CD2 4.12Å; L401-L504 HydrophobicContact CG-CD2 4.16Å; L401-L504 PolarHBondContact N-O 3.44Å; L401-L504 PolarHBondContact O-N 3.03Å; W419-L504 HydrophobicContact CB-CD1 4.29Å; W419-L504 HydrophobicContact CG-CB 4.41Å; W419-L504 HydrophobicContact CG-CD1 4.41Å; I476-L504 HydrophobicContact CB-CD1 4.33Å; I476-L504 HydrophobicContact CD1-CD1 3.52Å; I476-L504 HydrophobicContact CG2-CD1 3.94Å; I484-L504 HydrophobicContact CG2-CG 4.46Å; L504-V506 HydrophobicContact CD2-CG2 3.6Å; L504-Y517 HydrophobicContact CD1-CE1 4.3Å
505	T	95	Very high	86.2	Confident	25 Å²	25	51.7 Å²	51.7	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.8	178.2	-60.2	0	0	0	0	109.2	N400 I484 T485	N400-T505 VanDerWaalsContact OD1-CG2 3.27Å; N400-T505 WeakPolarHBondContact OD1-CG2 3.25Å; N400-T505 PolarHBondContact OD1-OG1 3.44Å; I484-T505 WeakPolarHBondContact CA-O 3.41Å; T485-T505 PolarHBondContact N-O 3.43Å; T485-T505 PolarHBondContact O-N 2.98Å; T485-T505 WeakPolarHBondContact OG1-CB 3.46Å; T485-T505 PolarHBondContact OG1-O 2.94Å
506	V	94.5	Very high	87	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.5	171.2	-177.5	0	0	0	0	108.1	A398 F399 G483 I484 L504	A398-V506 CarbonylContact C-O 3.58Å; A398-V506 VanDerWaalsContact CA-O 3.22Å; A398-V506 WeakPolarHBondContact CA-O 3.19Å; F399-V506 HydrophobicContact CD1-CB 3.82Å; F399-V506 HydrophobicContact CD1-CG1 4.27Å; F399-V506 HydrophobicContact CD1-CG2 4.39Å; F399-V506 HydrophobicContact CE1-CB 3.47Å; F399-V506 VanDerWaalsContact CE1-CB 3.47Å; F399-V506 HydrophobicContact CE1-CG1 3.71Å; F399-V506 HydrophobicContact CE1-CG2 3.7Å; F399-V506 HydrophobicContact CE2-CB 4.29Å; F399-V506 HydrophobicContact CE2-CG2 3.84Å; F399-V506 HydrophobicContact CG-CB 4.39Å; F399-V506 HydrophobicContact CZ-CB 3.74Å; F399-V506 HydrophobicContact CZ-CG1 4.25Å; F399-V506 HydrophobicContact CZ-CG2 3.39Å; F399-V506 PolarHBondContact N-O 2.93Å; F399-V506 PolarHBondContact O-N 3.11Å; G483-V506 WeakPolarHBondContact O-CA 3.42Å; I484-V506 HydrophobicContact CG1-CG2 4.4Å; L504-V506 HydrophobicContact CD2-CG2 3.6Å
507	Q	93.1	Very high	88	Confident	121 Å²	121	37.3 Å²	37.3	57%	0.565	19%	0.187	S	C	*	.	S	Bend	trans	-71.4	-34.4	-175.3	-69.7	179	-18.9	0	0	113.3	A398 G483	A398-Q507 WeakPolarHBondContact CA-O 3.49Å; A398-Q507 VanDerWaalsContact CB-O 3.29Å; A398-Q507 WeakPolarHBondContact CB-O 3.47Å; G483-Q507 PolarHBondContact O-N 2.98Å
508	S	93.3	Very high	88.8	Confident	53 Å²	53	34.9 Å²	34.9	37%	0.371	17%	0.174	S	C	.	.	S	Bend	trans	-150.5	107.5	178.9	165.9	0	0	0	0	109	K510	S508-K510 PolarHBondContact O-N 2.57Å
509	A	91.2	Very high	89.4	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.008	16%	0.161	C	C	.	.			trans	-58.1	126.4	-179.1	0	0	0	0	0	112.2	I393 G396 S397 F399 I542	I393-A509 HydrophobicContact CG2-CB 3.82Å; G396-A509 PolarHBondContact N-O 3.16Å; S397-A509 VanDerWaalsContact O-CB 3.25Å; S397-A509 WeakPolarHBondContact O-CB 3.45Å; S397-A509 PolarHBondContact O-N 3.17Å; F399-A509 HydrophobicContact CD1-CB 3.93Å; F399-A509 HydrophobicContact CE1-CB 3.86Å; A509-I542 HydrophobicContact CB-CD1 4.08Å; A509-I542 HydrophobicContact CB-CG2 4.22Å
510	K	87.3	Confident	89.7	Confident	95 Å²	95	29.5 Å²	29.5	41%	0.413	15%	0.153	S	C	.	.			trans	-107.6	162.6	170.6	-63.6	165.5	-174.8	164.8	0	109.1	V482 S508 N512 D513 I542	V482-K510 PolarHBondContact O-NZ 3Å; S508-K510 PolarHBondContact O-N 2.57Å; K510-N512 PolarHBondContact O-N 3.04Å; K510-D513 WeakPolarHBondContact CB-OD2 3.47Å; K510-D513 PolarHBondContact N-OD2 3.27Å; K510-D513 WeakPolarHBondContact O-CB 3.28Å; K510-D513 PolarHBondContact O-N 2.88Å; K510-I542 WeakPolarHBondContact O-CG1 3.48Å
511	E	80.2	Confident	89.7	Confident	81 Å²	81	28.7 Å²	28.7	38%	0.379	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-54.1	-39.8	175.6	-178.6	163.3	-146.5	0	0	112.1	D513 G514 K544	E511-D513 PolarHBondContact O-N 2.67Å; E511-G514 PolarHBondContact O-N 2.94Å; E511-G514 VanDerWaalsContact O-N 3.09Å; E511-K544 IonicContact OE1-NZ 2.7Å; E511-K544 PolarHBondContact OE1-NZ 3.21Å; E511-K544 IonicContact OE2-NZ 3.2Å; E511-K544 PolarHBondContact OE2-NZ 3.44Å
512	N	80.3	Confident	89.5	Confident	82 Å²	82	27.5 Å²	27.5	44%	0.439	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-75.6	-0.4	-179.5	-63.9	21.5	0	0	0	113.1	R421 E427 K510	R421-N512 PolarHBondContact NH1-O 2.81Å; R421-N512 PolarHBondContact NH2-O 3.19Å; E427-N512 PolarHBondContact OE1-ND2 3.16Å; E427-N512 PolarHBondContact OE1-OD1 3.4Å; K510-N512 PolarHBondContact O-N 3.04Å
513	D	85.6	Confident	88.8	Confident	9 Å²	9	30.7 Å²	30.7	5%	0.048	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-86.8	-14.9	169.4	-60.4	-39	0	0	0	111.7	F399 K510 E511 Y517	F399-D513 HydrophobicContact CE1-CB 4.29Å; F399-D513 HydrophobicContact CZ-CB 4.23Å; K510-D513 WeakPolarHBondContact CB-OD2 3.47Å; K510-D513 PolarHBondContact N-OD2 3.27Å; K510-D513 WeakPolarHBondContact O-CB 3.28Å; K510-D513 PolarHBondContact O-N 2.88Å; E511-D513 PolarHBondContact O-N 2.67Å; D513-Y517 WeakPolarHBondContact O-CE2 3.46Å; D513-Y517 PolarHBondContact O-OH 3.18Å
514	G	83.6	Confident	87.4	Confident	5 Å²	5	30.8 Å²	30.8	5%	0.052	16%	0.164	C	C	.	.			trans	-73.4	145.9	173.5	0	0	0	0	0	112.9	R421 E511 I540	R421-G514 PolarHBondContact NH2-O 2.77Å; E511-G514 PolarHBondContact O-N 2.94Å; E511-G514 VanDerWaalsContact O-N 3.09Å; G514-I540 CarbonylContact C-O 3.55Å; G514-I540 WeakPolarHBondContact CA-O 3.44Å
515	G	83.4	Confident	85.6	Confident	7 Å²	7	32.9 Å²	32.9	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.6	-164.8	177.6	0	0	0	0	0	113.7	Y517 I540	G515-Y517 WeakPolarHBondContact O-CD2 3.1Å; G515-I540 PolarHBondContact N-O 2.88Å; G515-I540 PolarHBondContact O-N 2.92Å
516	L	87.1	Confident	83.5	Confident	12 Å²	12	38.6 Å²	38.6	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.1	-178	-166.9	67.1	0	0	0	111.4	P422 F473 F537 D539 R561 L564	P422-L516 WeakPolarHBondContact CD-O 3.05Å; F473-L516 HydrophobicContact CZ-CD2 3.89Å; F473-L516 HydrophobicContact CZ-CG 4.38Å; L516-F537 HydrophobicContact CD1-CB 4.15Å; L516-F537 HydrophobicContact CD1-CD1 4.48Å; L516-F537 HydrophobicContact CD2-CD1 4.18Å; L516-F537 HydrophobicContact CG-CD1 4.27Å; L516-D539 HydrophobicContact CD1-CB 4.39Å; L516-R561 HydrophobicContact CD1-CB 4.07Å; L516-R561 HydrophobicContact CD1-CG 4.17Å; L516-L564 HydrophobicContact CD2-CD1 3.37Å
517	Y	91.3	Very high	81	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.5	172.3	-70.1	-102.9	0	0	0	109	L401 W419 I476 L504 D513 G515 F537 L538 I540	L401-Y517 HydrophobicContact CD1-CD1 4Å; L401-Y517 HydrophobicContact CD1-CD2 4.44Å; L401-Y517 HydrophobicContact CD1-CE1 4.1Å; L401-Y517 HydrophobicContact CD1-CG 4.19Å; W419-Y517 HydrophobicContact CE3-CD1 4.47Å; I476-Y517 HydrophobicContact CD1-CD1 3.66Å; I476-Y517 HydrophobicContact CD1-CE1 3.56Å; L504-Y517 HydrophobicContact CD1-CE1 4.3Å; D513-Y517 WeakPolarHBondContact O-CE2 3.46Å; D513-Y517 PolarHBondContact O-OH 3.18Å; G515-Y517 WeakPolarHBondContact O-CD2 3.1Å; Y517-F537 CarbonylContact O-C 3.54Å; Y517-F537 WeakPolarHBondContact O-CA 3.38Å; Y517-L538 PolarHBondContact N-O 3.18Å; Y517-L538 PolarHBondContact O-N 3.1Å; Y517-I540 HydrophobicContact CD2-CB 4.11Å; Y517-I540 HydrophobicContact CD2-CG1 3.8Å; Y517-I540 HydrophobicContact CE2-CB 3.88Å; Y517-I540 HydrophobicContact CE2-CG1 3.9Å
518	E	91.3	Very high	78.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.7	171.9	-175.5	-177	-173.3	0	0	108.6	W419 F420 F473 R520 R535 A536 F537	W419-E518 CarbonylContact C-O 3.11Å; F420-E518 HydrophobicContact CB-CB 4.24Å; F420-E518 PolarHBondContact N-O 2.84Å; F420-E518 PolarHBondContact O-N 3.4Å; F473-E518 HydrophobicContact CD1-CB 3.65Å; F473-E518 VanDerWaalsContact CD1-OE2 3.29Å; F473-E518 WeakPolarHBondContact CD1-OE2 3.23Å; F473-E518 HydrophobicContact CE1-CB 3.56Å; F473-E518 WeakPolarHBondContact CG-OE2 3.4Å; E518-R520 HydrophobicContact CG-CG 3.82Å; E518-R520 IonicContact OE1-CZ 3.76Å; E518-R520 IonicContact OE1-NE 2.75Å; E518-R520 PolarHBondContact OE1-NE 2.77Å; E518-R520 IonicContact OE1-NH2 2.85Å; E518-R520 IonicContact OE2-CZ 3.68Å; E518-R520 IonicContact OE2-NE 3.54Å; E518-R520 PolarHBondContact OE2-NE 3.4Å; E518-R520 IonicContact OE2-NH2 3.01Å; E518-R520 PolarHBondContact OE2-NH2 2.95Å; E518-R535 HydrophobicContact CG-CB 4.47Å; E518-R535 WeakPolarHBondContact OE1-CD 3.38Å; E518-R535 IonicContact OE1-CZ 2.73Å; E518-R535 IonicContact OE1-NE 3.85Å; E518-R535 IonicContact OE1-NH1 3.82Å; E518-R535 PolarHBondContact OE1-NH1 2.76Å; E518-A536 CarbonylContact C-O 3.58Å; E518-A536 WeakPolarHBondContact CA-O 3.18Å; E518-F537 HydrophobicContact CB-CD1 3.76Å; E518-F537 HydrophobicContact CB-CE1 3.66Å; E518-F537 HydrophobicContact CG-CD1 3.9Å; E518-F537 HydrophobicContact CG-CE1 3.55Å; E518-F537 HydrophobicContact CG-CZ 4.09Å
519	C	93.4	Very high	76.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.8	162.7	-178.9	0	0	0	0	108.8	I385 I387 C403 V417 D418 W419 R535 A536	I385-C519 WeakPolarHBondContact CD1-O 3.16Å; I385-C519 HydrophobicContact CG2-CB 4.36Å; I387-C519 HydrophobicContact CD1-CB 4.11Å; I387-C519 HydrophobicContact CG1-CB 4.42Å; C403-C519 HydrophobicContact CB-CB 3.75Å; C403-C519 WeakPolarHBondContact CB-SG 3.39Å; C403-C519 WeakPolarHBondContact SG-CB 3.49Å; C403-C519 CovalentContact SG-SG 1.99Å; C403-C519 PolarHBondContact SG-SG 3.05Å; V417-C519 WeakPolarHBondContact CG2-SG 3.41Å; D418-C519 WeakPolarHBondContact O-CA 3.47Å; W419-C519 HydrophobicContact CD2-CB 4.43Å; W419-C519 HydrophobicContact CE3-CB 3.98Å; W419-C519 HydrophobicContact CH2-CB 4.13Å; W419-C519 HydrophobicContact CZ3-CB 3.82Å; C519-R535 CarbonylContact O-C 3.56Å; C519-R535 VanDerWaalsContact O-CA 3.25Å; C519-R535 WeakPolarHBondContact O-CA 3.49Å; C519-A536 PolarHBondContact N-O 2.74Å; C519-A536 PolarHBondContact O-N 2.83Å
520	R	90.2	Very high	75.7	Confident	18 Å²	18	53.1 Å²	53.1	7%	0.068	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.8	175.9	-61.2	-176.7	177.2	174	-0.3	110	V417 D418 F420 E518 Y522	V417-R520 VanDerWaalsContact CA-O 3.31Å; V417-R520 WeakPolarHBondContact CA-O 3.23Å; D418-R520 PolarHBondContact N-O 2.88Å; D418-R520 PolarHBondContact O-N 3Å; F420-R520 HydrophobicContact CD2-CB 3.94Å; F420-R520 HydrophobicContact CD2-CG 3.69Å; F420-R520 HydrophobicContact CE2-CB 3.73Å; F420-R520 HydrophobicContact CE2-CG 3.91Å; F420-R520 HydrophobicContact CG-CG 4.33Å; E518-R520 HydrophobicContact CG-CG 3.82Å; E518-R520 IonicContact OE1-CZ 3.76Å; E518-R520 IonicContact OE1-NE 2.75Å; E518-R520 PolarHBondContact OE1-NE 2.77Å; E518-R520 IonicContact OE1-NH2 2.85Å; E518-R520 IonicContact OE2-CZ 3.68Å; E518-R520 IonicContact OE2-NE 3.54Å; E518-R520 PolarHBondContact OE2-NE 3.4Å; E518-R520 IonicContact OE2-NH2 3.01Å; E518-R520 PolarHBondContact OE2-NH2 2.95Å; R520-Y522 HydrophobicContact CB-CD1 4.14Å
521	V	88.6	Confident	75.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.5	163.4	176.6	0	0	0	0	106.8	I385 V405 I415 A416 V417 I533 D534	I385-V521 HydrophobicContact CD1-CB 4.44Å; I385-V521 HydrophobicContact CD1-CG2 3.8Å; I385-V521 HydrophobicContact CG1-CB 4.4Å; I385-V521 HydrophobicContact CG1-CG2 3.4Å; I385-V521 VanDerWaalsContact CG1-CG2 3.4Å; V405-V521 HydrophobicContact CB-CG2 3.87Å; V405-V521 HydrophobicContact CG1-CG1 4.37Å; V405-V521 HydrophobicContact CG1-CG2 4.07Å; V405-V521 HydrophobicContact CG2-CG1 4.29Å; V405-V521 HydrophobicContact CG2-CG2 4.06Å; I415-V521 HydrophobicContact CG2-CG1 3.44Å; I415-V521 VanDerWaalsContact CG2-CG1 3.44Å; A416-V521 WeakPolarHBondContact O-CA 3.31Å; V417-V521 HydrophobicContact CB-CG2 4.17Å; V417-V521 HydrophobicContact CG2-CG2 3.78Å; V521-I533 HydrophobicContact CG1-CB 4.18Å; V521-I533 HydrophobicContact CG1-CD1 4.36Å; V521-I533 WeakPolarHBondContact O-CA 3.38Å; V521-I533 PolarHBondContact O-N 3.32Å; V521-D534 HydrophobicContact CB-CB 4.24Å; V521-D534 PolarHBondContact N-O 3.07Å; V521-D534 PolarHBondContact O-N 3.44Å; V521-D534 VanDerWaalsContact O-N 3.1Å
522	Y	86	Confident	75.3	Confident	13 Å²	13	51.2 Å²	51.2	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.5	-174	60.4	-82.8	0	0	0	112	A416 D418 F420 R520 E530 K531	A416-Y522 HydrophobicContact CB-CD2 4.37Å; A416-Y522 HydrophobicContact CB-CE1 4.1Å; A416-Y522 HydrophobicContact CB-CE2 3.97Å; A416-Y522 PolarHBondContact N-O 3.36Å; A416-Y522 PolarHBondContact O-N 3.13Å; D418-Y522 HydrophobicContact CB-CE1 4.13Å; D418-Y522 PolarHBondContact OD2-OH 3.32Å; F420-Y522 HydrophobicContact CE2-CE1 4.13Å; F420-Y522 HydrophobicContact CZ-CE1 4.13Å; R520-Y522 HydrophobicContact CB-CD1 4.14Å; Y522-E530 HydrophobicContact CD2-CB 3.82Å; Y522-E530 HydrophobicContact CD2-CG 3.72Å; Y522-E530 HydrophobicContact CE2-CB 4.39Å; Y522-E530 HydrophobicContact CE2-CG 3.8Å; Y522-E530 WeakPolarHBondContact CE2-OE1 3.28Å; Y522-E530 HydrophobicContact CG-CB 4.36Å; Y522-K531 CarbonylContact C-O 3.56Å; Y522-K531 WeakPolarHBondContact CA-O 3.42Å; Y522-K531 WeakPolarHBondContact CB-O 3.37Å
523	E	78.9	Confident	75.4	Confident	67 Å²	67	49.1 Å²	49.1	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.6	171.1	-155.4	176.4	171.2	0	0	108.6	N414 A525 K531 I533	N414-E523 HydrophobicContact CB-CG 3.76Å; N414-E523 CarbonylContact O-C 3.59Å; N414-E523 VanDerWaalsContact O-CA 3.28Å; N414-E523 WeakPolarHBondContact O-CA 3.35Å; E523-A525 PolarHBondContact O-N 3.38Å; E523-A525 VanDerWaalsContact O-N 3.08Å; E523-K531 HydrophobicContact CB-CB 4.17Å; E523-K531 PolarHBondContact N-O 2.98Å; E523-K531 PolarHBondContact O-N 3.25Å; E523-K531 IonicContact OE2-NZ 3.71Å; E523-I533 HydrophobicContact CB-CD1 4.38Å
524	A	65.7	Low	75.4	Confident	48 Å²	48	48.9 Å²	48.9	40%	0.397	26%	0.261	S	S	.	.			trans	-67.3	106.6	175.1	0	0	0	0	0	108.6	N414	N414-A524 PolarHBondContact O-N 2.96Å
525	A	58.7	Low	75.7	Confident	47 Å²	47	49.2 Å²	49.2	39%	0.388	26%	0.26	S	S	.	.			trans	-83.2	135.1	-179.9	0	0	0	0	0	111.4	E523 Y527 Q529	E523-A525 PolarHBondContact O-N 3.38Å; E523-A525 VanDerWaalsContact O-N 3.08Å; A525-Y527 PolarHBondContact O-N 3.03Å; A525-Q529 WeakPolarHBondContact CB-O 3.3Å
526	N	49.2	Very low	76.1	Confident	144 Å²	144	48.9 Å²	48.9	77%	0.77	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.8	176.2	-75.6	-22.6	0	0	0	114.6
527	Y	41.9	Very low	76.2	Confident	216 Å²	216	48.3 Å²	48.3	85%	0.847	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	32.5	-174.3	-65.8	-80.8	0	0	0	114.4	A525	A525-Y527 PolarHBondContact O-N 3.03Å
528	G	46.4	Very low	76.1	Confident	64 Å²	64	48.2 Å²	48.2	66%	0.66	25%	0.254	S	S	*	.	S	Bend	trans	85.6	9.1	163	0	0	0	0	0	117.2
529	Q	53.9	Low	75.9	Confident	120 Å²	120	48.5 Å²	48.5	56%	0.561	26%	0.255	S	S	*	.			trans	-120.5	96.9	174.1	-67.5	-174.6	-5.6	0	0	111.3	A525 K531 V589	A525-Q529 WeakPolarHBondContact CB-O 3.3Å; Q529-K531 PolarHBondContact O-N 3.07Å; Q529-V589 HydrophobicContact CG-CB 4.31Å; Q529-V589 HydrophobicContact CG-CG2 4.32Å
530	E	67.4	Low	75.6	Confident	82 Å²	82	48.8 Å²	48.8	38%	0.383	26%	0.257	S	S	.	.			trans	-64	121.1	176.9	-64.5	178.3	169.3	0	0	110.8	Y522 I532	Y522-E530 HydrophobicContact CD2-CB 3.82Å; Y522-E530 HydrophobicContact CD2-CG 3.72Å; Y522-E530 HydrophobicContact CE2-CB 4.39Å; Y522-E530 HydrophobicContact CE2-CG 3.8Å; Y522-E530 WeakPolarHBondContact CE2-OE1 3.28Å; Y522-E530 HydrophobicContact CG-CB 4.36Å; E530-I532 PolarHBondContact O-N 3.1Å
531	K	77.8	Confident	75.3	Confident	116 Å²	116	48.4 Å²	48.4	50%	0.504	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.2	174.9	-178.6	-176.9	172.7	-169.7	0	109	Y522 E523 Q529 I533	Y522-K531 CarbonylContact C-O 3.56Å; Y522-K531 WeakPolarHBondContact CA-O 3.42Å; Y522-K531 WeakPolarHBondContact CB-O 3.37Å; E523-K531 HydrophobicContact CB-CB 4.17Å; E523-K531 PolarHBondContact N-O 2.98Å; E523-K531 PolarHBondContact O-N 3.25Å; E523-K531 IonicContact OE2-NZ 3.71Å; Q529-K531 PolarHBondContact O-N 3.07Å; K531-I533 PolarHBondContact O-N 3.21Å
532	I	80.7	Confident	75.2	Confident	19 Å²	19	48.8 Å²	48.8	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114.7	-179.1	-61.5	170.3	0	0	0	109.7	E530 R535	E530-I532 PolarHBondContact O-N 3.1Å; I532-R535 HydrophobicContact CG2-CB 4.43Å
533	I	82.6	Confident	75.2	Confident	38 Å²	38	49 Å²	49	20%	0.195	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-49.8	179.1	-60.1	171.1	0	0	0	109.4	K382 L384 I415 V521 E523 K531	K382-I533 WeakPolarHBondContact CD-O 3.46Å; K382-I533 WeakPolarHBondContact CE-O 3.46Å; K382-I533 PolarHBondContact NZ-O 2.9Å; L384-I533 HydrophobicContact CD1-CG2 3.96Å; I415-I533 HydrophobicContact CD1-CD1 3.71Å; I415-I533 HydrophobicContact CG1-CD1 3.67Å; I415-I533 HydrophobicContact CG2-CD1 4.36Å; V521-I533 HydrophobicContact CG1-CB 4.18Å; V521-I533 HydrophobicContact CG1-CD1 4.36Å; V521-I533 WeakPolarHBondContact O-CA 3.38Å; V521-I533 PolarHBondContact O-N 3.32Å; E523-I533 HydrophobicContact CB-CD1 4.38Å; K531-I533 PolarHBondContact O-N 3.21Å
534	D	85.6	Confident	75.4	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.6	180	-161.3	6	0	0	0	111	S380 L384 I385 V521	S380-D534 WeakPolarHBondContact CB-OD1 3.41Å; S380-D534 PolarHBondContact OG-OD1 3.36Å; L384-D534 WeakPolarHBondContact CA-OD2 3.49Å; L384-D534 HydrophobicContact CB-CB 4.28Å; L384-D534 WeakPolarHBondContact CB-OD2 3.47Å; L384-D534 HydrophobicContact CD1-CB 4.29Å; L384-D534 PolarHBondContact N-OD2 3.26Å; I385-D534 HydrophobicContact CD1-CB 3.97Å; I385-D534 HydrophobicContact CG1-CB 4.21Å; I385-D534 PolarHBondContact N-OD2 3.3Å; V521-D534 HydrophobicContact CB-CB 4.24Å; V521-D534 PolarHBondContact N-O 3.07Å; V521-D534 PolarHBondContact O-N 3.44Å; V521-D534 VanDerWaalsContact O-N 3.1Å
535	R	89.9	Confident	76.3	Confident	11 Å²	11	51.3 Å²	51.3	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.1	174.7	66.2	-179.7	71.6	-157.7	16.5	112.3	S380 I385 E518 C519 I532 W568 L570 D588	S380-R535 WeakPolarHBondContact CB-O 3.37Å; S380-R535 PolarHBondContact N-O 2.86Å; I385-R535 VanDerWaalsContact CD1-CA 3.46Å; E518-R535 HydrophobicContact CG-CB 4.47Å; E518-R535 WeakPolarHBondContact OE1-CD 3.38Å; E518-R535 IonicContact OE1-CZ 2.73Å; E518-R535 IonicContact OE1-NE 3.85Å; E518-R535 IonicContact OE1-NH1 3.82Å; E518-R535 PolarHBondContact OE1-NH1 2.76Å; C519-R535 CarbonylContact O-C 3.56Å; C519-R535 VanDerWaalsContact O-CA 3.25Å; C519-R535 WeakPolarHBondContact O-CA 3.49Å; I532-R535 HydrophobicContact CG2-CB 4.43Å; R535-W568 VanDerWaalsContact NH1-CE2 3.27Å; R535-L570 HydrophobicContact CG-CD2 3.94Å; R535-D588 IonicContact NH2-OD2 2.83Å
536	A	90.5	Very high	77.2	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.2	172.1	0	0	0	0	0	110.4	N378 Y379 I385 I387 E518 C519	N378-A536 WeakPolarHBondContact O-CA 3.4Å; Y379-A536 HydrophobicContact CD1-CB 3.82Å; Y379-A536 HydrophobicContact CE1-CB 4.26Å; I385-A536 HydrophobicContact CB-CB 4.34Å; I385-A536 HydrophobicContact CD1-CB 4.28Å; I385-A536 HydrophobicContact CG2-CB 3.91Å; I387-A536 HydrophobicContact CD1-CB 3.61Å; E518-A536 CarbonylContact C-O 3.58Å; E518-A536 WeakPolarHBondContact CA-O 3.18Å; C519-A536 PolarHBondContact N-O 2.74Å; C519-A536 PolarHBondContact O-N 2.83Å
537	F	89.9	Confident	78.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.4	179.3	-68.3	-74.9	0	0	0	110.7	I377 N378 F473 L516 Y517 E518 R561 L564 L570	I377-F537 CarbonylContact C-O 3.52Å; I377-F537 VanDerWaalsContact CA-O 3.27Å; I377-F537 WeakPolarHBondContact CA-O 3.4Å; N378-F537 PolarHBondContact N-O 2.84Å; N378-F537 PolarHBondContact O-N 2.83Å; F473-F537 HydrophobicContact CE1-CD1 4.41Å; F473-F537 HydrophobicContact CE1-CE1 4.02Å; F473-F537 HydrophobicContact CZ-CD1 4.37Å; F473-F537 AromaticContact CZ-CE1 3.84Å; F473-F537 HydrophobicContact CZ-CE1 3.84Å; L516-F537 HydrophobicContact CD1-CB 4.15Å; L516-F537 HydrophobicContact CD1-CD1 4.48Å; L516-F537 HydrophobicContact CD2-CD1 4.18Å; L516-F537 HydrophobicContact CG-CD1 4.27Å; Y517-F537 CarbonylContact O-C 3.54Å; Y517-F537 WeakPolarHBondContact O-CA 3.38Å; E518-F537 HydrophobicContact CB-CD1 3.76Å; E518-F537 HydrophobicContact CB-CE1 3.66Å; E518-F537 HydrophobicContact CG-CD1 3.9Å; E518-F537 HydrophobicContact CG-CE1 3.55Å; E518-F537 HydrophobicContact CG-CZ 4.09Å; F537-R561 HydrophobicContact CB-CG 4.02Å; F537-L564 HydrophobicContact CE1-CD1 4.08Å; F537-L564 HydrophobicContact CE2-CB 4.08Å; F537-L564 HydrophobicContact CZ-CB 4.08Å; F537-L564 HydrophobicContact CZ-CD1 4.29Å; F537-L570 HydrophobicContact CD2-CD1 3.68Å; F537-L570 HydrophobicContact CE2-CD1 3.64Å
538	L	89.9	Confident	79.3	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	176.3	169.2	67.2	0	0	0	109.2	I377 I387 L401 W419 Y517 I540	I377-L538 HydrophobicContact CD1-CD1 4.21Å; I377-L538 HydrophobicContact CG1-CD1 3.5Å; I387-L538 HydrophobicContact CD1-CB 4.41Å; I387-L538 HydrophobicContact CG2-CD2 3.92Å; L401-L538 HydrophobicContact CD1-CD2 4.18Å; L401-L538 HydrophobicContact CD2-CD2 3.95Å; W419-L538 HydrophobicContact CH2-CB 4.37Å; W419-L538 HydrophobicContact CH2-CD2 3.8Å; W419-L538 HydrophobicContact CZ3-CB 4.32Å; W419-L538 HydrophobicContact CZ3-CD2 4.29Å; Y517-L538 PolarHBondContact N-O 3.18Å; Y517-L538 PolarHBondContact O-N 3.1Å; L538-I540 HydrophobicContact CD1-CD1 4.15Å; L538-I540 HydrophobicContact CD2-CD1 3.78Å; L538-I540 HydrophobicContact CD2-CG1 4.1Å; L538-I540 HydrophobicContact CG-CD1 3.92Å; L538-I540 HydrophobicContact CG-CG1 4.11Å
539	D	86.7	Confident	80	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.6	173.4	172.6	35.1	0	0	0	110.4	R376 L516 N557	R376-D539 HydrophobicContact CB-CB 4.18Å; R376-D539 PolarHBondContact O-N 3.13Å; L516-D539 HydrophobicContact CD1-CB 4.39Å; D539-N557 WeakPolarHBondContact OD1-CB 3.29Å; D539-N557 PolarHBondContact OD1-ND2 3.36Å
540	I	86.8	Confident	80.4	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129	-179.4	-67.9	-57.3	0	0	0	109.6	I393 F399 L401 G514 G515 Y517 L538 I542	I393-I540 HydrophobicContact CD1-CD1 3.96Å; I393-I540 HydrophobicContact CD1-CG2 3.66Å; F399-I540 HydrophobicContact CZ-CG2 4.49Å; L401-I540 HydrophobicContact CD1-CD1 4.48Å; L401-I540 HydrophobicContact CD1-CG1 4.08Å; L401-I540 HydrophobicContact CD2-CD1 3.66Å; L401-I540 HydrophobicContact CD2-CG1 4.17Å; G514-I540 CarbonylContact C-O 3.55Å; G514-I540 WeakPolarHBondContact CA-O 3.44Å; G515-I540 PolarHBondContact N-O 2.88Å; G515-I540 PolarHBondContact O-N 2.92Å; Y517-I540 HydrophobicContact CD2-CB 4.11Å; Y517-I540 HydrophobicContact CD2-CG1 3.8Å; Y517-I540 HydrophobicContact CE2-CB 3.88Å; Y517-I540 HydrophobicContact CE2-CG1 3.9Å; L538-I540 HydrophobicContact CD1-CD1 4.15Å; L538-I540 HydrophobicContact CD2-CD1 3.78Å; L538-I540 HydrophobicContact CD2-CG1 4.1Å; L538-I540 HydrophobicContact CG-CD1 3.92Å; L538-I540 HydrophobicContact CG-CG1 4.11Å; I540-I542 HydrophobicContact CG2-CD1 3.79Å
541	I	83.8	Confident	80	Confident	11 Å²	11	38.3 Å²	38.3	6%	0.056	18%	0.179	C	C	.	.			trans	-121.7	118.5	-179.5	-52.5	-157.2	0	0	0	108.8	R543 S550 I554	I541-R543 PolarHBondContact O-N 2.88Å; I541-S550 WeakPolarHBondContact CG2-OG 3.38Å; I541-I554 HydrophobicContact CD1-CB 3.75Å; I541-I554 HydrophobicContact CD1-CD1 3.73Å; I541-I554 HydrophobicContact CD1-CG1 3.37Å; I541-I554 HydrophobicContact CD1-CG2 3.7Å; I541-I554 HydrophobicContact CG2-CD1 4.47Å; I541-I554 HydrophobicContact CG2-CG1 4.49Å
542	I	86.2	Confident	79.2	Confident	8 Å²	8	38 Å²	38	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106	177.4	-51.4	-55.4	0	0	0	107.3	I393 I395 F399 A509 K510 I540	I393-I542 HydrophobicContact CB-CD1 4.08Å; I393-I542 HydrophobicContact CG2-CD1 3.46Å; I393-I542 VanDerWaalsContact CG2-CD1 3.46Å; I395-I542 HydrophobicContact CB-CG2 4.08Å; I395-I542 HydrophobicContact CG1-CG2 4.42Å; F399-I542 HydrophobicContact CE1-CD1 4.17Å; A509-I542 HydrophobicContact CB-CD1 4.08Å; A509-I542 HydrophobicContact CB-CG2 4.22Å; K510-I542 WeakPolarHBondContact O-CG1 3.48Å; I540-I542 HydrophobicContact CG2-CD1 3.79Å
543	R	85.8	Confident	78.3	Confident	17 Å²	17	38.4 Å²	38.4	6%	0.064	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.3	-179.8	-61.3	-67.4	-163.8	167.7	11.1	109.8	G239 F343 L392 I393 T394 I395 I541 S550	G239-R543 VanDerWaalsContact O-CD 3.31Å; G239-R543 WeakPolarHBondContact O-CD 3.47Å; G239-R543 WeakPolarHBondContact O-CG 3.25Å; G239-R543 PolarHBondContact O-NE 2.95Å; F343-R543 HydrophobicContact CD1-CB 3.76Å; F343-R543 HydrophobicContact CE1-CB 3.56Å; L392-R543 HydrophobicContact CD1-CB 4.05Å; L392-R543 HydrophobicContact CD1-CG 3.67Å; I393-R543 PolarHBondContact O-N 2.84Å; T394-R543 WeakPolarHBondContact CA-O 3.44Å; I395-R543 PolarHBondContact N-O 2.92Å; I541-R543 PolarHBondContact O-N 2.88Å; R543-S550 PolarHBondContact NH1-OG 3.33Å
544	K	84.2	Confident	77.6	Confident	42 Å²	42	37.7 Å²	37.7	18%	0.183	18%	0.177	C	C	.	.			trans	-115.3	153.8	174.1	-67.5	176	174.6	-178	0	108.8	N241 F343 I395 E511 H548	N241-K544 PolarHBondContact ND2-O 2.76Å; F343-K544 WeakPolarHBondContact CE1-O 3.4Å; I395-K544 HydrophobicContact CB-CG 4.46Å; I395-K544 HydrophobicContact CD1-CG 4.27Å; I395-K544 HydrophobicContact CG2-CG 4.46Å; E511-K544 IonicContact OE1-NZ 2.7Å; E511-K544 PolarHBondContact OE1-NZ 3.21Å; E511-K544 IonicContact OE2-NZ 3.2Å; E511-K544 PolarHBondContact OE2-NZ 3.44Å; K544-H548 HydrophobicContact CB-CB 3.65Å; K544-H548 HydrophobicContact CD-CB 3.8Å; K544-H548 HydrophobicContact CG-CB 4.4Å
545	R	83.4	Confident	76.7	Confident	123 Å²	123	42.9 Å²	42.9	46%	0.464	20%	0.201	S	C	.	.			trans	-64.3	153.3	172.1	-69.2	-170.6	177.4	-171.9	-3.6	110.2	D342 F343 H548	D342-R545 HydrophobicContact CB-CG 4.27Å; D342-R545 WeakPolarHBondContact OD2-CD 3.37Å; D342-R545 IonicContact OD2-NE 3.54Å; F343-R545 HydrophobicContact CE2-CG 3.78Å; F343-R545 HydrophobicContact CZ-CG 3.66Å; R545-H548 PolarHBondContact O-N 2.83Å
546	Y	78.4	Confident	75.7	Confident	40 Å²	40	42.6 Å²	42.6	16%	0.157	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	139.3	173.9	179.2	-84.1	0	0	0	110.5	N241 Y243 R280 I340 D342	N241-Y546 PolarHBondContact ND2-N 3.14Å; N241-Y546 VanDerWaalsContact ND2-N 3.19Å; Y243-Y546 HydrophobicContact CD2-CE1 4.36Å; Y243-Y546 AromaticContact CD2-CE2 3.9Å; Y243-Y546 HydrophobicContact CD2-CE2 3.9Å; Y243-Y546 AromaticContact CD2-CZ 3.76Å; Y243-Y546 HydrophobicContact CG-CE2 4.21Å; R280-Y546 PolarHBondContact NH2-O 3.21Å; I340-Y546 HydrophobicContact CD1-CD1 3.59Å; I340-Y546 HydrophobicContact CD1-CE1 3.91Å; I340-Y546 HydrophobicContact CD1-CG 4.28Å; I340-Y546 HydrophobicContact CG1-CD1 4.37Å; I340-Y546 HydrophobicContact CG2-CD1 4.43Å; I340-Y546 HydrophobicContact CG2-CG 4.1Å; D342-Y546 PolarHBondContact OD1-N 3.42Å; D342-Y546 VanDerWaalsContact OD1-N 3.07Å
547	P	69.7	Low	74.9	Confident	65 Å²	65	43 Å²	43	42%	0.422	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91	5.8	16.1	35.8	-36.5	0	0	0	116.2	N549	P547-N549 PolarHBondContact O-N 3.33Å; P547-N549 VanDerWaalsContact O-N 3.13Å
548	H	66.3	Low	74.1	Confident	112 Å²	112	44.7 Å²	44.7	52%	0.519	22%	0.217	S	C	.	.			trans	-79.6	103.5	-173.6	-61.2	-62	0	0	0	111.6	K544 R545	K544-H548 HydrophobicContact CB-CB 3.65Å; K544-H548 HydrophobicContact CD-CB 3.8Å; K544-H548 HydrophobicContact CG-CB 4.4Å; R545-H548 PolarHBondContact O-N 2.83Å
549	N	60.8	Low	73.3	Confident	50 Å²	50	47.4 Å²	47.4	27%	0.267	23%	0.228	S	C	.	.			trans	-98.2	128.8	174.8	-75.6	-14.2	0	0	0	111.2	P204 P547 F551	P204-N549 HydrophobicContact CB-CB 3.96Å; P547-N549 PolarHBondContact O-N 3.33Å; P547-N549 VanDerWaalsContact O-N 3.13Å; N549-F551 HydrophobicContact CB-CD2 4.5Å; N549-F551 PolarHBondContact O-N 3.35Å
550	S	61.1	Low	72.7	Confident	21 Å²	21	47.4 Å²	47.4	15%	0.147	23%	0.228	C	C	.	.			trans	-83.1	12.5	-176.8	59.9	0	0	0	0	114.4	I541 R543 E552 Q553 I554	I541-S550 WeakPolarHBondContact CG2-OG 3.38Å; R543-S550 PolarHBondContact NH1-OG 3.33Å; S550-E552 PolarHBondContact O-N 2.86Å; S550-Q553 PolarHBondContact O-N 2.92Å; S550-I554 WeakPolarHBondContact O-CG1 3.3Å; S550-I554 PolarHBondContact O-N 3.35Å
551	F	59.4	Low	72.2	Confident	111 Å²	111	48.6 Å²	48.6	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-55.2	-47.2	-165.4	-108.1	-83.3	0	0	0	114.2	E240 N549 Q553 I554 E555	E240-F551 WeakPolarHBondContact OE1-CE2 3.48Å; E240-F551 VanDerWaalsContact OE1-CZ 3.26Å; E240-F551 WeakPolarHBondContact OE1-CZ 3.42Å; N549-F551 HydrophobicContact CB-CD2 4.5Å; N549-F551 PolarHBondContact O-N 3.35Å; F551-Q553 VanDerWaalsContact C-N 3.3Å; F551-Q553 PolarHBondContact O-N 2.64Å; F551-I554 WeakPolarHBondContact O-CB 3.39Å; F551-I554 PolarHBondContact O-N 3.01Å; F551-I554 VanDerWaalsContact O-N 3.16Å; F551-E555 PolarHBondContact O-N 3.49Å; F551-E555 VanDerWaalsContact O-N 3.14Å
552	E	60.7	Low	71.8	Confident	110 Å²	110	54.6 Å²	54.6	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-39.3	-177.7	-67.5	177.5	179.4	0	0	112.1	T428 S550 I554 E555 L556	T428-E552 HydrophobicContact CG2-CB 4.49Å; S550-E552 PolarHBondContact O-N 2.86Å; E552-I554 VanDerWaalsContact C-N 3.35Å; E552-E555 PolarHBondContact O-N 3.3Å; E552-L556 WeakPolarHBondContact O-CB 3.17Å; E552-L556 PolarHBondContact O-N 3.27Å; E552-L556 VanDerWaalsContact O-N 3.13Å
553	Q	62.6	Low	71.2	Confident	28 Å²	28	55 Å²	55	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-36.6	178.4	-163	177	13.8	0	0	111.5	S550 F551 N557	S550-Q553 PolarHBondContact O-N 2.92Å; F551-Q553 VanDerWaalsContact C-N 3.3Å; F551-Q553 PolarHBondContact O-N 2.64Å; Q553-N557 WeakPolarHBondContact O-CB 3.48Å; Q553-N557 PolarHBondContact O-N 2.86Å
554	I	67.4	Low	70.7	Confident	23 Å²	23	54.2 Å²	54.2	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-50.3	176.6	-41.5	-159	0	0	0	110.5	I541 S550 F551 E552 L556 N557 A558	I541-I554 HydrophobicContact CD1-CB 3.75Å; I541-I554 HydrophobicContact CD1-CD1 3.73Å; I541-I554 HydrophobicContact CD1-CG1 3.37Å; I541-I554 HydrophobicContact CD1-CG2 3.7Å; I541-I554 HydrophobicContact CG2-CD1 4.47Å; I541-I554 HydrophobicContact CG2-CG1 4.49Å; S550-I554 WeakPolarHBondContact O-CG1 3.3Å; S550-I554 PolarHBondContact O-N 3.35Å; F551-I554 WeakPolarHBondContact O-CB 3.39Å; F551-I554 PolarHBondContact O-N 3.01Å; F551-I554 VanDerWaalsContact O-N 3.16Å; E552-I554 VanDerWaalsContact C-N 3.35Å; I554-L556 VanDerWaalsContact C-N 3.33Å; I554-L556 PolarHBondContact O-N 3.17Å; I554-N557 PolarHBondContact O-N 2.91Å; I554-A558 VanDerWaalsContact O-CB 3.28Å; I554-A558 WeakPolarHBondContact O-CB 3.31Å; I554-A558 PolarHBondContact O-N 3.06Å
555	E	67.4	Low	70.2	Confident	114 Å²	114	52.4 Å²	52.4	53%	0.533	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-43.6	-176.1	-170.4	-174.9	158.4	0	0	111	F551 E552 A558 K559	F551-E555 PolarHBondContact O-N 3.49Å; F551-E555 VanDerWaalsContact O-N 3.14Å; E552-E555 PolarHBondContact O-N 3.3Å; E555-A558 PolarHBondContact O-N 2.73Å; E555-K559 WeakPolarHBondContact O-CG 3.42Å; E555-K559 PolarHBondContact O-N 3Å; E555-K559 VanDerWaalsContact OE1-CE 3.27Å; E555-K559 WeakPolarHBondContact OE1-CE 3.28Å; E555-K559 IonicContact OE1-NZ 3.27Å; E555-K559 PolarHBondContact OE1-NZ 3.31Å
556	L	69.1	Low	69.5	Low	4 Å²	4	49.8 Å²	49.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-52.9	176.3	173.7	67.6	0	0	0	111.8	I426 L442 L446 E552 I554 A558 K559 L560	I426-L556 HydrophobicContact CB-CD2 3.9Å; I426-L556 HydrophobicContact CD1-CD2 3.88Å; I426-L556 HydrophobicContact CD1-CG 4.5Å; I426-L556 HydrophobicContact CG1-CD2 4.46Å; I426-L556 HydrophobicContact CG2-CD2 3.25Å; L442-L556 HydrophobicContact CD1-CD1 3.64Å; L442-L556 HydrophobicContact CD1-CD2 4.32Å; L442-L556 HydrophobicContact CD2-CD2 4.39Å; L442-L556 HydrophobicContact CG-CD1 4.19Å; L446-L556 HydrophobicContact CD1-CD1 4Å; L446-L556 HydrophobicContact CD2-CB 3.98Å; L446-L556 HydrophobicContact CD2-CD1 3.36Å; L446-L556 HydrophobicContact CD2-CG 4.26Å; L446-L556 HydrophobicContact CG-CD1 3.66Å; E552-L556 WeakPolarHBondContact O-CB 3.17Å; E552-L556 PolarHBondContact O-N 3.27Å; E552-L556 VanDerWaalsContact O-N 3.13Å; I554-L556 VanDerWaalsContact C-N 3.33Å; I554-L556 PolarHBondContact O-N 3.17Å; L556-A558 VanDerWaalsContact C-N 3.26Å; L556-A558 PolarHBondContact O-N 3.29Å; L556-K559 PolarHBondContact O-N 2.81Å; L556-K559 VanDerWaalsContact O-N 3.11Å; L556-L560 HydrophobicContact CD1-CD1 3.83Å; L556-L560 HydrophobicContact CD1-CG 4.04Å; L556-L560 HydrophobicContact CD2-CD1 4.35Å; L556-L560 HydrophobicContact CG-CD1 3.77Å; L556-L560 HydrophobicContact CG-CG 4.36Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.29Å
557	N	72.8	Confident	69.1	Low	9 Å²	9	50.1 Å²	50.1	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-38.2	-178.4	-71.4	-8.2	0	0	0	111.2	D539 Q553 I554 L560 R561	D539-N557 WeakPolarHBondContact OD1-CB 3.29Å; D539-N557 PolarHBondContact OD1-ND2 3.36Å; Q553-N557 WeakPolarHBondContact O-CB 3.48Å; Q553-N557 PolarHBondContact O-N 2.86Å; I554-N557 PolarHBondContact O-N 2.91Å; N557-L560 PolarHBondContact O-N 2.71Å; N557-R561 WeakPolarHBondContact O-CB 3.42Å; N557-R561 PolarHBondContact O-N 3.35Å
558	A	73.4	Confident	69.1	Low	36 Å²	36	48.3 Å²	48.3	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-44	174.8	0	0	0	0	0	112.1	I554 E555 L556 K562	I554-A558 VanDerWaalsContact O-CB 3.28Å; I554-A558 WeakPolarHBondContact O-CB 3.31Å; I554-A558 PolarHBondContact O-N 3.06Å; E555-A558 PolarHBondContact O-N 2.73Å; L556-A558 VanDerWaalsContact C-N 3.26Å; L556-A558 PolarHBondContact O-N 3.29Å; A558-K562 WeakPolarHBondContact O-CB 3.3Å; A558-K562 PolarHBondContact O-N 3.22Å
559	K	73	Confident	69.2	Low	59 Å²	59	48.8 Å²	48.8	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-47.2	175.6	-76.6	176	-177.6	168.9	0	111.8	L446 E555 L556 R561 K562 L563	L446-K559 HydrophobicContact CD2-CD 3.86Å; L446-K559 PolarHBondContact O-NZ 3.19Å; E555-K559 WeakPolarHBondContact O-CG 3.42Å; E555-K559 PolarHBondContact O-N 3Å; E555-K559 VanDerWaalsContact OE1-CE 3.27Å; E555-K559 WeakPolarHBondContact OE1-CE 3.28Å; E555-K559 IonicContact OE1-NZ 3.27Å; E555-K559 PolarHBondContact OE1-NZ 3.31Å; L556-K559 PolarHBondContact O-N 2.81Å; L556-K559 VanDerWaalsContact O-N 3.11Å; K559-R561 PolarHBondContact O-N 2.85Å; K559-K562 WeakPolarHBondContact O-CB 3.41Å; K559-K562 PolarHBondContact O-N 3.27Å; K559-L563 WeakPolarHBondContact O-CG 3.37Å; K559-L563 PolarHBondContact O-N 3.18Å
560	L	74.4	Confident	69.2	Low	6 Å²	6	47 Å²	47	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-46.2	178.4	-69.8	168.1	0	0	0	111.8	I426 I445 L469 L556 N557 K562 L563 L564	I426-L560 HydrophobicContact CD1-CD1 3.33Å; I445-L560 HydrophobicContact CD1-CD2 4.36Å; I445-L560 HydrophobicContact CG2-CD2 4.05Å; L469-L560 HydrophobicContact CD2-CD2 3.61Å; L556-L560 HydrophobicContact CD1-CD1 3.83Å; L556-L560 HydrophobicContact CD1-CG 4.04Å; L556-L560 HydrophobicContact CD2-CD1 4.35Å; L556-L560 HydrophobicContact CG-CD1 3.77Å; L556-L560 HydrophobicContact CG-CG 4.36Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.29Å; N557-L560 PolarHBondContact O-N 2.71Å; L560-K562 VanDerWaalsContact C-N 3.28Å; L560-K562 PolarHBondContact O-N 3.13Å; L560-L563 WeakPolarHBondContact O-CB 3.43Å; L560-L563 PolarHBondContact O-N 3.06Å; L560-L563 VanDerWaalsContact O-N 3.15Å; L560-L564 WeakPolarHBondContact O-CG 3.48Å; L560-L564 PolarHBondContact O-N 3.08Å
561	R	77.2	Confident	68.4	Low	32 Å²	32	50.4 Å²	50.4	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-39.2	175.9	-174.2	-177	57.6	-150.2	-11.8	111.4	R376 N378 L516 F537 N557 K559 S565	R376-R561 VanDerWaalsContact CA-NH1 3.26Å; R376-R561 PolarHBondContact O-NH1 3.38Å; N378-R561 HydrophobicContact CB-CG 4.2Å; N378-R561 WeakPolarHBondContact ND2-CG 3.43Å; L516-R561 HydrophobicContact CD1-CB 4.07Å; L516-R561 HydrophobicContact CD1-CG 4.17Å; F537-R561 HydrophobicContact CB-CG 4.02Å; N557-R561 WeakPolarHBondContact O-CB 3.42Å; N557-R561 PolarHBondContact O-N 3.35Å; K559-R561 PolarHBondContact O-N 2.85Å; R561-S565 WeakPolarHBondContact O-CB 3.16Å; R561-S565 PolarHBondContact O-N 3.19Å; R561-S565 PolarHBondContact O-OG 3.43Å
562	K	74.7	Confident	67.4	Low	136 Å²	136	48.7 Å²	48.7	59%	0.591	24%	0.239	S	C	*	.	H	α-helix	trans	-64.5	-44.3	174.8	-170.3	177.9	179.9	-177.8	0	111.2	A558 K559 L560 S565 I566	A558-K562 WeakPolarHBondContact O-CB 3.3Å; A558-K562 PolarHBondContact O-N 3.22Å; K559-K562 WeakPolarHBondContact O-CB 3.41Å; K559-K562 PolarHBondContact O-N 3.27Å; L560-K562 VanDerWaalsContact C-N 3.28Å; L560-K562 PolarHBondContact O-N 3.13Å; K562-S565 WeakPolarHBondContact CA-OG 3.44Å; K562-S565 PolarHBondContact O-N 3.46Å; K562-S565 PolarHBondContact O-OG 3.03Å; K562-I566 HydrophobicContact CG-CD1 4.26Å; K562-I566 WeakPolarHBondContact O-CG1 3.37Å; K562-I566 PolarHBondContact O-N 3.5Å
563	L	73.2	Confident	66.1	Low	17 Å²	17	48 Å²	48	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-47.2	176.8	-73.7	163.8	0	0	0	112.5	I445 L452 V466 K559 L560 S565 I566 F567	I445-L563 HydrophobicContact CG2-CD1 3.4Å; I445-L563 VanDerWaalsContact CG2-CD1 3.4Å; L452-L563 HydrophobicContact CD1-CD2 3.58Å; L452-L563 HydrophobicContact CD2-CD2 4.43Å; V466-L563 HydrophobicContact CG2-CB 4.48Å; K559-L563 WeakPolarHBondContact O-CG 3.37Å; K559-L563 PolarHBondContact O-N 3.18Å; L560-L563 WeakPolarHBondContact O-CB 3.43Å; L560-L563 PolarHBondContact O-N 3.06Å; L560-L563 VanDerWaalsContact O-N 3.15Å; L563-S565 VanDerWaalsContact C-N 3.27Å; L563-S565 PolarHBondContact O-N 3Å; L563-I566 PolarHBondContact O-N 2.98Å; L563-F567 WeakPolarHBondContact O-CB 3.49Å; L563-F567 PolarHBondContact O-N 3.4Å
564	L	76.3	Confident	64.8	Low	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-38.8	174.9	-73.1	167.5	0	0	0	111.4	L469 A470 F473 L516 F537 L560 I566 F567 W568	L469-L564 HydrophobicContact CD2-CD1 4.21Å; L469-L564 HydrophobicContact CD2-CD2 4.29Å; L469-L564 HydrophobicContact CD2-CG 4.22Å; A470-L564 HydrophobicContact CB-CD2 3.79Å; F473-L564 HydrophobicContact CE2-CD1 4.14Å; F473-L564 HydrophobicContact CZ-CD1 4.06Å; L516-L564 HydrophobicContact CD2-CD1 3.37Å; F537-L564 HydrophobicContact CE1-CD1 4.08Å; F537-L564 HydrophobicContact CE2-CB 4.08Å; F537-L564 HydrophobicContact CZ-CB 4.08Å; F537-L564 HydrophobicContact CZ-CD1 4.29Å; L560-L564 WeakPolarHBondContact O-CG 3.48Å; L560-L564 PolarHBondContact O-N 3.08Å; L564-I566 VanDerWaalsContact C-N 3.26Å; L564-I566 PolarHBondContact O-N 3.28Å; L564-F567 PolarHBondContact O-N 3.33Å; L564-W568 WeakPolarHBondContact O-CB 2.68Å; L564-W568 VanDerWaalsContact O-CD1 3.24Å; L564-W568 PolarHBondContact O-N 2.89Å
565	S	72.5	Confident	63.1	Low	4 Å²	4	62.7 Å²	62.7	3%	0.028	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-30.7	175.6	76.7	0	0	0	0	113.3	R561 K562 L563 K569 L570	R561-S565 WeakPolarHBondContact O-CB 3.16Å; R561-S565 PolarHBondContact O-N 3.19Å; R561-S565 PolarHBondContact O-OG 3.43Å; K562-S565 WeakPolarHBondContact CA-OG 3.44Å; K562-S565 PolarHBondContact O-N 3.46Å; K562-S565 PolarHBondContact O-OG 3.03Å; L563-S565 VanDerWaalsContact C-N 3.27Å; L563-S565 PolarHBondContact O-N 3Å; S565-K569 CarbonylContact O-C 3.56Å; S565-K569 WeakPolarHBondContact O-CA 3.25Å; S565-K569 PolarHBondContact O-N 3.3Å; S565-K569 VanDerWaalsContact O-N 3.16Å; S565-L570 PolarHBondContact O-N 2.93Å
566	I	69	Low	61.3	Low	68 Å²	68	63.6 Å²	63.6	35%	0.349	32%	0.32	S	S	.	.	H	α-helix	trans	-77.9	-46.4	175.8	-68.1	165.5	0	0	0	110.3	L452 K562 L563 L564 W568 K569	L452-I566 HydrophobicContact CD1-CD1 3.61Å; L452-I566 HydrophobicContact CD2-CG2 4.38Å; K562-I566 HydrophobicContact CG-CD1 4.26Å; K562-I566 WeakPolarHBondContact O-CG1 3.37Å; K562-I566 PolarHBondContact O-N 3.5Å; L563-I566 PolarHBondContact O-N 2.98Å; L564-I566 VanDerWaalsContact C-N 3.26Å; L564-I566 PolarHBondContact O-N 3.28Å; I566-W568 VanDerWaalsContact C-N 3.33Å; I566-W568 PolarHBondContact O-N 3.24Å; I566-K569 WeakPolarHBondContact O-CA 3.32Å; I566-K569 PolarHBondContact O-N 3.49Å
567	F	70.7	Confident	59.5	Low	48 Å²	48	69.4 Å²	69.4	21%	0.211	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-47.3	177.5	-177	-93.8	0	0	0	111.6	V466 A470 L563 L564 K569	V466-F567 HydrophobicContact CB-CD2 4.31Å; V466-F567 HydrophobicContact CG1-CB 3.66Å; V466-F567 HydrophobicContact CG1-CD2 3.7Å; V466-F567 HydrophobicContact CG1-CG 3.79Å; A470-F567 HydrophobicContact CB-CD1 4.03Å; A470-F567 HydrophobicContact CB-CE1 3.83Å; L563-F567 WeakPolarHBondContact O-CB 3.49Å; L563-F567 PolarHBondContact O-N 3.4Å; L564-F567 PolarHBondContact O-N 3.33Å; F567-K569 VanDerWaalsContact C-N 3.27Å; F567-K569 PolarHBondContact O-N 2.84Å
568	W	69.7	Low	57.4	Low	27 Å²	27	76.6 Å²	76.6	10%	0.102	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.3	176.7	-65.4	117.1	0	0	0	113.9	A470 R535 L564 I566 L570 H584 D588	A470-W568 HydrophobicContact CB-CZ2 3.84Å; R535-W568 VanDerWaalsContact NH1-CE2 3.27Å; L564-W568 WeakPolarHBondContact O-CB 2.68Å; L564-W568 VanDerWaalsContact O-CD1 3.24Å; L564-W568 PolarHBondContact O-N 2.89Å; I566-W568 VanDerWaalsContact C-N 3.33Å; I566-W568 PolarHBondContact O-N 3.24Å; W568-L570 HydrophobicContact CB-CD2 4.16Å; W568-L570 HydrophobicContact CB-CG 3.96Å; W568-L570 PolarHBondContact O-N 2.64Å; W568-L570 VanDerWaalsContact O-N 3.13Å; W568-H584 WeakPolarHBondContact CZ3-O 3.1Å; W568-D588 VanDerWaalsContact CH2-OD1 3.26Å; W568-D588 WeakPolarHBondContact CH2-OD1 3.36Å; W568-D588 WeakPolarHBondContact CH2-OD2 3.14Å
569	K	67.5	Low	55.3	Low	121 Å²	121	82 Å²	82	53%	0.526	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.4	179.9	-61.2	-178.9	-179.8	175.9	0	114.6	R381 S565 I566 F567 N571	R381-K569 PolarHBondContact NH2-O 2.85Å; S565-K569 CarbonylContact O-C 3.56Å; S565-K569 WeakPolarHBondContact O-CA 3.25Å; S565-K569 PolarHBondContact O-N 3.3Å; S565-K569 VanDerWaalsContact O-N 3.16Å; I566-K569 WeakPolarHBondContact O-CA 3.32Å; I566-K569 PolarHBondContact O-N 3.49Å; F567-K569 VanDerWaalsContact C-N 3.27Å; F567-K569 PolarHBondContact O-N 2.84Å; K569-N571 PolarHBondContact O-N 3.11Å
570	L	60.3	Low	53.3	Low	12 Å²	12	84.7 Å²	84.7	6%	0.063	43%	0.43	C	S	.	.			trans	-62.2	-26.2	-178.9	-59.4	-178.2	0	0	0	112.7	R381 R535 F537 S565 W568	R381-L570 WeakPolarHBondContact CG-O 3.48Å; R535-L570 HydrophobicContact CG-CD2 3.94Å; F537-L570 HydrophobicContact CD2-CD1 3.68Å; F537-L570 HydrophobicContact CE2-CD1 3.64Å; S565-L570 PolarHBondContact O-N 2.93Å; W568-L570 HydrophobicContact CB-CD2 4.16Å; W568-L570 HydrophobicContact CB-CG 3.96Å; W568-L570 PolarHBondContact O-N 2.64Å; W568-L570 VanDerWaalsContact O-N 3.13Å
571	N	44.3	Very low	51.3	Low	94 Å²	94	92.2 Å²	92.2	50%	0.503	46%	0.464	S	S	.	.	S	Bend	trans	-120.1	125.5	176.7	-73.4	-37	0	0	0	111.6	K569 S573	K569-N571 PolarHBondContact O-N 3.11Å; N571-S573 PolarHBondContact O-N 2Å
572	P	39.3	Very low	49.4	Very low	75 Å²	75	95 Å²	95	49%	0.487	48%	0.482	S	S	.	.			trans	-81.1	94.2	170.1	24.2	-13.2	0	0	0	108.5	R381 Q574	R381-P572 VanDerWaalsContact NE-CD 3.28Å; R381-P572 VanDerWaalsContact NH2-CA 3.26Å; P572-Q574 PolarHBondContact O-N 2.91Å
573	S	34	Very low	47.5	Very low	96 Å²	96	95 Å²	95	67%	0.671	48%	0.484	S	S	*	.			trans	-92.8	65.3	151.3	55	0	0	0	0	108.1	N571	N571-S573 PolarHBondContact O-N 2Å
574	Q	33.9	Very low	45.7	Very low	149 Å²	149	99.5 Å²	99.5	70%	0.696	50%	0.504	S	S	*	.			trans	173.8	128.3	153.2	-97.5	164	10.3	0	0	110.3	P572 N576	P572-Q574 PolarHBondContact O-N 2.91Å; Q574-N576 PolarHBondContact O-N 2.93Å; Q574-N576 VanDerWaalsContact O-N 3.13Å
575	K	33	Very low	44	Very low	210 Å²	210	101 Å²	101	91%	0.913	52%	0.516	S	S	*	.	S	Bend	trans	-69.2	3.5	-177.8	-94.5	-178.4	172.7	-179	0	115.2
576	N	29	Very low	42.2	Very low	133 Å²	133	106.7 Å²	106.7	71%	0.711	54%	0.543	S	S	*	.			trans	-124.4	97.1	-174.2	-75	-5.9	0	0	0	110.3	Q574	Q574-N576 PolarHBondContact O-N 2.93Å; Q574-N576 VanDerWaalsContact O-N 3.13Å
577	N	30.4	Very low	40.5	Very low	125 Å²	125	107 Å²	107	67%	0.668	55%	0.545	S	S	*	.			trans	163.4	80.6	140.8	-82.1	-15.3	0	0	0	109.2	N579 L580	N577-N579 PolarHBondContact O-N 3.12Å; N577-L580 HydrophobicContact CB-CD1 4.44Å
578	N	29.9	Very low	39	Very low	160 Å²	160	106 Å²	106	86%	0.856	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	2.2	169.1	-75.7	-12.2	0	0	0	113
579	N	29.4	Very low	37.5	Very low	149 Å²	149	107.6 Å²	107.6	80%	0.797	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	14	-171.5	-70.9	-1.9	0	0	0	115.6	N577	N577-N579 PolarHBondContact O-N 3.12Å
580	L	30.9	Very low	35.8	Very low	116 Å²	116	103.6 Å²	103.6	61%	0.607	54%	0.544	S	S	*	.			trans	-100.5	96.6	167.7	-96.7	96.4	0	0	0	110.3	N577	N577-L580 HydrophobicContact CB-CD1 4.44Å
581	H	31.1	Very low	34.7	Very low	164 Å²	164	104.6 Å²	104.6	76%	0.759	55%	0.552	S	S	*	*			trans	-44.2	154.2	171	-95.7	-61.5	0	0	0	114.2	Q583	H581-Q583 PolarHBondContact O-N 3.39Å
582	D	38.7	Very low	34.2	Very low	92 Å²	92	107 Å²	107	49%	0.492	55%	0.554	S	S	.	*	S	Bend	trans	-39.7	25.2	168.8	-75.7	-45.7	0	0	0	118.7	H584 A585 Q586	D582-H584 PolarHBondContact O-N 2.76Å; D582-H584 VanDerWaalsContact O-N 3.16Å; D582-A585 PolarHBondContact O-N 3.14Å; D582-Q586 PolarHBondContact O-N 2.71Å
583	Q	34.6	Very low	33.9	Very low	134 Å²	134	107.6 Å²	107.6	63%	0.626	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-22.6	-174.8	-74.3	-173.1	-16.6	0	0	114.2	H581 N587	H581-Q583 PolarHBondContact O-N 3.39Å; Q583-N587 WeakPolarHBondContact O-CB 2.83Å; Q583-N587 PolarHBondContact O-ND2 3.17Å
584	H	36.2	Very low	33.8	Very low	113 Å²	113	111.5 Å²	111.5	52%	0.523	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-28.9	174.1	-74.3	-64.7	0	0	0	113.2	W568 D582 Q586	W568-H584 WeakPolarHBondContact CZ3-O 3.1Å; D582-H584 PolarHBondContact O-N 2.76Å; D582-H584 VanDerWaalsContact O-N 3.16Å; H584-Q586 VanDerWaalsContact C-N 3.29Å; H584-Q586 PolarHBondContact O-N 3.43Å
585	A	38.7	Very low	33.9	Very low	31 Å²	31	108.9 Å²	108.9	26%	0.256	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-21	177.2	0	0	0	0	0	113.1	D582	D582-A585 PolarHBondContact O-N 3.14Å
586	Q	35.3	Very low	33.8	Very low	124 Å²	124	107.1 Å²	107.1	58%	0.579	55%	0.552	S	S	*	*	S	Bend	trans	-95.5	-16.7	179.5	-70.8	-179.3	-14.6	0	0	114.3	D582 H584 D588	D582-Q586 PolarHBondContact O-N 2.71Å; H584-Q586 VanDerWaalsContact C-N 3.29Å; H584-Q586 PolarHBondContact O-N 3.43Å; Q586-D588 VanDerWaalsContact C-N 3.35Å; Q586-D588 PolarHBondContact O-N 3.1Å
587	N	34.2	Very low	33.6	Very low	74 Å²	74	109.6 Å²	109.6	40%	0.396	55%	0.553	S	S	.	*			trans	-94.8	20.3	-171	-82.2	-35.5	0	0	0	114.3	Q583 V589 A590 S591	Q583-N587 WeakPolarHBondContact O-CB 2.83Å; Q583-N587 PolarHBondContact O-ND2 3.17Å; N587-V589 PolarHBondContact O-N 3.45Å; N587-A590 PolarHBondContact O-N 2.84Å; N587-S591 PolarHBondContact O-OG 3.31Å
588	D	39	Very low	33.5	Very low	26 Å²	26	106.7 Å²	106.7	14%	0.139	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-19.5	-171.1	-106	-22.4	0	0	0	113.1	Y471 R535 W568 Q586	Y471-D588 WeakPolarHBondContact CD1-OD1 2.85Å; Y471-D588 HydrophobicContact CE1-CB 4.31Å; Y471-D588 WeakPolarHBondContact CE1-O 3.18Å; Y471-D588 WeakPolarHBondContact CE1-OD1 3.46Å; R535-D588 IonicContact NH2-OD2 2.83Å; W568-D588 VanDerWaalsContact CH2-OD1 3.26Å; W568-D588 WeakPolarHBondContact CH2-OD1 3.36Å; W568-D588 WeakPolarHBondContact CH2-OD2 3.14Å; Q586-D588 VanDerWaalsContact C-N 3.35Å; Q586-D588 PolarHBondContact O-N 3.1Å
589	V	37.4	Very low	33.4	Very low	62 Å²	62	107.5 Å²	107.5	38%	0.376	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110	-30	-178.8	-177	0	0	0	0	113	Q529 N587 S591 R592 V593	Q529-V589 HydrophobicContact CG-CB 4.31Å; Q529-V589 HydrophobicContact CG-CG2 4.32Å; N587-V589 PolarHBondContact O-N 3.45Å; V589-S591 PolarHBondContact O-N 3.29Å; V589-R592 PolarHBondContact O-N 3.14Å; V589-V593 PolarHBondContact O-N 3.5Å
590	A	32	Very low	33.2	Very low	37 Å²	37	108.4 Å²	108.4	31%	0.306	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-29.9	-179.9	0	0	0	0	0	112.5	N587 R594	N587-A590 PolarHBondContact O-N 2.84Å; A590-R594 PolarHBondContact O-N 3.48Å
591	S	37.7	Very low	32.9	Very low	32 Å²	32	110 Å²	110	22%	0.224	56%	0.563	C	S	.	*	H	α-helix	trans	-72.7	-32.4	176.5	54.6	0	0	0	0	113.3	Y471 N587 V589 V593 R594 A595	Y471-S591 WeakPolarHBondContact CE1-OG 3.39Å; Y471-S591 PolarHBondContact OH-OG 3.41Å; Y471-S591 VanDerWaalsContact OH-OG 3.07Å; N587-S591 PolarHBondContact O-OG 3.31Å; V589-S591 PolarHBondContact O-N 3.29Å; S591-V593 VanDerWaalsContact C-N 3.33Å; S591-V593 PolarHBondContact O-N 3.44Å; S591-R594 PolarHBondContact O-N 3.16Å; S591-A595 VanDerWaalsContact O-CB 3.29Å; S591-A595 WeakPolarHBondContact O-CB 3.24Å; S591-A595 PolarHBondContact O-N 2.89Å
592	R	34.2	Very low	32.8	Very low	144 Å²	144	108.2 Å²	108.2	54%	0.543	56%	0.558	S	S	.	*	H	α-helix	trans	-68.4	-31.1	173.9	-81.6	-173.2	179.4	179.8	3.1	112.6	Y471 V589 K596	Y471-R592 PolarHBondContact O-NH2 2.8Å; V589-R592 PolarHBondContact O-N 3.14Å; R592-K596 PolarHBondContact O-N 2.95Å
593	V	31.7	Very low	32.3	Very low	89 Å²	89	109 Å²	109	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-78.1	-40.5	174.4	-178.2	0	0	0	0	110.9	V589 S591 K596 Y597	V589-V593 PolarHBondContact O-N 3.5Å; S591-V593 VanDerWaalsContact C-N 3.33Å; S591-V593 PolarHBondContact O-N 3.44Å; V593-K596 PolarHBondContact O-N 3.37Å; V593-Y597 PolarHBondContact O-N 3.27Å
594	R	31.6	Very low	32	Very low	178 Å²	178	111.6 Å²	111.6	67%	0.672	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-33.6	174.6	-80.4	-175.7	-171	170.6	3.6	114.2	A590 S591 K596 Y597	A590-R594 PolarHBondContact O-N 3.48Å; S591-R594 PolarHBondContact O-N 3.16Å; R594-K596 VanDerWaalsContact C-N 3.27Å; R594-K596 PolarHBondContact O-N 3.13Å; R594-Y597 CarbonylContact O-C 3.55Å; R594-Y597 VanDerWaalsContact O-O 3.07Å
595	A	36.1	Very low	31.7	Very low	93 Å²	93	113.4 Å²	113.4	77%	0.769	59%	0.592	S	S	*	*	H	α-helix	trans	-72.3	-23.1	175	0	0	0	0	0	112.6	S591	S591-A595 VanDerWaalsContact O-CB 3.29Å; S591-A595 WeakPolarHBondContact O-CB 3.24Å; S591-A595 PolarHBondContact O-N 2.89Å
596	K	31.9	Very low	31.3	Very low	173 Å²	173	120.9 Å²	120.9	75%	0.752	62%	0.618	S	S	*	*	H	α-helix	trans	-91.7	-19.7	177.9	-137.8	177.8	-174.6	-175.5	0	113.1	R592 V593 R594	R592-K596 PolarHBondContact O-N 2.95Å; V593-K596 PolarHBondContact O-N 3.37Å; R594-K596 VanDerWaalsContact C-N 3.27Å; R594-K596 PolarHBondContact O-N 3.13Å
597	Y	25.2	Very low	31.1	Very low	185 Å²	185	122 Å²	122	73%	0.725	63%	0.628	S	S	*	*	S	Bend	trans	-140.2	107.2	177.8	-67.6	-85	0	0	0	110.9	V593 R594	V593-Y597 PolarHBondContact O-N 3.27Å; R594-Y597 CarbonylContact O-C 3.55Å; R594-Y597 VanDerWaalsContact O-O 3.07Å
598	G	27.8	Very low	30.9	Very low	64 Å²	64	126.4 Å²	126.4	66%	0.66	65%	0.646	S	S	*	*			trans	109.4	79.5	151	0	0	0	0	0	117.8	Q600	G598-Q600 PolarHBondContact O-N 3.49Å
599	I	27.4	Very low	30.5	Very low	177 Å²	177	132.5 Å²	132.5	91%	0.908	67%	0.674	S	S	*	*	S	Bend	trans	-71	83.6	133.6	-60	170.7	0	0	0	105.4
600	Q	25.5	Very low	30.3	Very low	168 Å²	168	137 Å²	137	79%	0.785	70%	0.695	S	S	*	*	S	Bend	trans	-167.8	112.6	162.9	-109.1	165.1	11.9	0	0	109.7	G598	G598-Q600 PolarHBondContact O-N 3.49Å
601	N	25.3	Very low	30.2	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	72%	0.719	S	S	*	*			trans	56.2	93.6	156.6	-61.3	-12.1	0	0	0	119.1
602	I	28.1	Very low	30	Very low	128 Å²	128	145.9 Å²	145.9	66%	0.656	73%	0.732	S	S	*	*			trans	-127	83.8	150.1	-56.1	176.2	0	0	0	108
603	S	27.4	Very low	29.9	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	74%	0.737	S	S	*	*	S	Bend	trans	-124.4	10	163.3	57.2	0	0	0	0	112.9
604	Q	29.9	Very low	29.9	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	75%	0.75	S	S	*	*	S	Bend	trans	-134.8	5.4	-174.3	-78.4	-174.4	-27.5	0	0	116.9
605	E	29.2	Very low	29.8	Very low	151 Å²	151	146.3 Å²	146.3	71%	0.706	75%	0.754	S	S	*	*			trans	-110.1	34.5	-173	-145	173.2	-155.9	0	0	114.2
606	K	30.9	Very low	29.6	Very low	188 Å²	188	148.3 Å²	148.3	82%	0.817	75%	0.75	S	S	*	*	S	Bend	trans	-103	-5.4	175.2	-94.1	-171.8	175.9	-177.8	0	115.6
607	D	30.5	Very low	29.4	Very low	148 Å²	148	147.5 Å²	147.5	79%	0.791	75%	0.754	S	S	*	*	S	Bend	trans	-104.9	-3.3	-175.3	-73.2	-27.1	0	0	0	115.2
608	H	30.1	Very low	29.6	Very low	167 Å²	167	148.2 Å²	148.2	77%	0.773	76%	0.761	S	S	*	*	S	Bend	trans	-104	-13	-177.9	-96.5	-72	0	0	0	116.1
609	E	31.1	Very low	29.7	Very low	153 Å²	153	153.3 Å²	153.3	72%	0.715	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-6.1	-179.3	-86.4	-172.2	147.6	0	0	115.2
610	L	32.7	Very low	29.6	Very low	157 Å²	157	154 Å²	154	82%	0.822	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	2.8	176.5	-104	106.3	0	0	0	115.1
611	K	30.2	Very low	29.6	Very low	187 Å²	187	156.1 Å²	156.1	81%	0.813	77%	0.771	S	S	*	*	S	Bend	trans	-111.2	-4.7	-179.7	-81.3	-178.2	177.8	175.4	0	115.8
612	S	32.8	Very low	29.6	Very low	69 Å²	69	158.7 Å²	158.7	48%	0.483	78%	0.775	S	S	.	*	S	Bend	trans	-99.1	-11.5	-179.8	59.9	0	0	0	0	114.8	N614	S612-N614 PolarHBondContact O-N 3.31Å
613	I	31.8	Very low	29.5	Very low	130 Å²	130	161 Å²	161	67%	0.667	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-8.8	-175.4	-66.7	174.7	0	0	0	113.3
614	N	31.9	Very low	29.4	Very low	150 Å²	150	162.8 Å²	162.8	80%	0.802	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	0	176.5	-83.7	-15.8	0	0	0	115.6	S612	S612-N614 PolarHBondContact O-N 3.31Å
615	N	30.6	Very low	29.1	Very low	140 Å²	140	163.4 Å²	163.4	75%	0.749	79%	0.787	S	S	*	*	S	Bend	trans	-111.9	3.2	-176.2	-86.2	-9.5	0	0	0	116
616	I	31.5	Very low	28.9	Very low	134 Å²	134	159.6 Å²	159.6	69%	0.687	79%	0.788	S	S	*	*	S	Bend	trans	-106	-9.8	-177.1	-65.2	174.5	0	0	0	113.4	K618	I616-K618 PolarHBondContact O-N 3.35Å
617	N	28	Very low	28.5	Very low	157 Å²	157	160.2 Å²	160.2	84%	0.84	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	25.4	178.1	-78.4	-18.1	0	0	0	115.2
618	K	29.9	Very low	28.2	Very low	199 Å²	199	163.8 Å²	163.8	87%	0.865	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	7.6	177.7	-105.2	-178.7	179.6	178.6	0	116	I616	I616-K618 PolarHBondContact O-N 3.35Å
619	H	28.4	Very low	27.7	Very low	172 Å²	172	160.6 Å²	160.6	80%	0.796	80%	0.796	S	S	*	*	S	Bend	trans	-118.7	6.9	-175.1	-112.1	-49.5	0	0	0	117.2
620	F	26.2	Very low	27.3	Very low	192 Å²	192	160.9 Å²	160.9	84%	0.842	80%	0.802	S	S	*	*	S	Bend	trans	-125.7	72.1	174.9	-86.6	-83.9	0	0	0	110.9
621	F	25.2	Very low	26.8	Very low	211 Å²	211	159.6 Å²	159.6	93%	0.925	80%	0.795	S	S	*	*	S	Bend	trans	-169.1	77.9	156.9	-100.9	-70.7	0	0	0	109
622	K	24.2	Very low	26.5	Very low	203 Å²	203	158 Å²	158	88%	0.883	79%	0.79	S	S	*	*			trans	176.1	142.6	151.9	-104.6	172.5	178.5	-176.1	0	108.8
623	E	26.7	Very low	26	Very low	178 Å²	178	160.1 Å²	160.1	83%	0.832	80%	0.801	S	S	*	*			trans	78.6	117.7	179.9	-57.6	178.3	-179.6	0	0	113.7
624	N	25.8	Very low	25.7	Very low	146 Å²	146	163 Å²	163	78%	0.781	81%	0.811	S	S	*	*			cis	-150.1	133.1	14.3	-87.8	-38.2	0	0	0	110.9
625	E	22.4	Very low	25.3	Very low	199 Å²	199	163.1 Å²	163.1	93%	0.93	81%	0.812	S	S	*	*			trans	-64	134.6	148.4	-67.5	177.5	143.6	0	0	108.5
626	G	25.2	Very low	25.2	Very low	71 Å²	71	161.6 Å²	161.6	73%	0.732	81%	0.81	S	S	*	*			trans	173.5	83.2	178.4	0	0	0	0	0	114.4
627	K	23.3	Very low	24.7	Very low	201 Å²	201	166.4 Å²	166.4	87%	0.874	82%	0.819	S	S	*	*			trans	29.6	116.5	145.4	-68	175.9	176.3	176.4	0	118.1
628	F	23.8	Very low	24.6	Very low	223 Å²	223	167.5 Å²	167.5	98%	0.978	82%	0.821	S	S	*	*				-152.2	120.4	123.6	-101.3	-76.3	0	0	0	109.9
629	S	20.7	Very low	24.2	Very low	101 Å²	101	168.9 Å²	168.9	71%	0.706	82%	0.821	S	S	*	*			trans	-115.8	141.7	172.1	52.2	0	0	0	0	109.2
630	L	21.9	Very low	23.9	Very low	158 Å²	158	165 Å²	165	83%	0.827	82%	0.819	S	S	*	*			trans	65.2	117.4	154.9	-106.1	91.4	0	0	0	118.8
631	L	23.4	Very low	23.8	Very low	131 Å²	131	167 Å²	167	69%	0.686	82%	0.821	S	S	*	*				-175.4	128.3	110.4	-124.4	77.4	0	0	0	112.2
632	E	23	Very low	23.7	Very low	152 Å²	152	163.5 Å²	163.5	71%	0.71	82%	0.817	S	S	*	*			trans	71.1	104.8	133.5	-84.1	171.7	-172.7	0	0	122.1
633	T	22.3	Very low	23.8	Very low	115 Å²	115	161.1 Å²	161.1	71%	0.706	81%	0.812	S	S	*	*				77.1	116.5	96.4	59.2	0	0	0	0	115.9
634	Q	25.2	Very low	23.7	Very low	190 Å²	190	161.9 Å²	161.9	89%	0.888	81%	0.813	S	S	*	*				156.4	122.3	118.2	-82.4	-175.1	4.3	0	0	112
635	N	24.2	Very low	23.8	Very low	152 Å²	152	161.8 Å²	161.8	81%	0.813	81%	0.813	S	S	*	*			trans	-117.3	134.6	156.4	-163.2	0.5	0	0	0	103.1
636	P	28.4	Very low	23.9	Very low	108 Å²	108	157.4 Å²	157.4	70%	0.701	80%	0.804	S	S	*	*				-163.7	162.2	90.5	38.8	-16.1	0	0	0	118.8
637	R	21.5	Very low	24.1	Very low	236 Å²	236	160.2 Å²	160.2	89%	0.891	80%	0.802	S	S	*	*			trans	18.8	134.8	142.9	-70.6	177.1	168.9	162.5	-2.6	122
638	M	24.5	Very low	24.6	Very low	179 Å²	179	154.8 Å²	154.8	88%	0.882	79%	0.789	S	S	*	*				175.6	163.1	129.4	-89.3	-130.2	-89.5	0	0	110
639	R	21.8	Very low	25.1	Very low	228 Å²	228	152.1 Å²	152.1	86%	0.86	78%	0.78	S	S	*	*			cis	174	150	-33.8	-153.8	-179.6	-160.1	-178.1	5.2	106
640	A	22.1	Very low	25.7	Very low	91 Å²	91	152.7 Å²	152.7	75%	0.752	77%	0.773	S	S	*	*			trans	83.9	145.8	158.5	0	0	0	0	0	118.3
641	R	24.9	Very low	26.4	Very low	234 Å²	234	149.1 Å²	149.1	88%	0.883	76%	0.761	S	S	*	*			cis	-149.4	148.1	29.2	-79	178.3	172	158.3	-2.1	114.3
642	T	21.9	Very low	27.1	Very low	137 Å²	137	147 Å²	147	84%	0.84	75%	0.753	S	S	*	*			trans	-74.4	141.8	156.3	27.8	0	0	0	0	111.6
643	I	26.2	Very low	28	Very low	153 Å²	153	143.4 Å²	143.4	79%	0.785	75%	0.745	S	S	*	*			trans	-135.8	123.3	161.1	-64.6	-179.2	0	0	0	109.2
644	K	24.9	Very low	28.8	Very low	194 Å²	194	143.5 Å²	143.5	84%	0.843	74%	0.737	S	S	*	*			trans	-66	143.1	168.2	-73.3	172.8	171.5	178.2	0	109.8
645	N	28.1	Very low	30.2	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	72%	0.722	S	S	*	*			trans	-148	100.9	154.5	-106.3	-11.6	0	0	0	112	N647	N645-N647 PolarHBondContact O-N 3.27Å
646	S	25.2	Very low	31.2	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	71%	0.714	S	S	*	*			trans	-68	104.1	156.5	45.8	0	0	0	0	108.8
647	N	29.3	Very low	32	Very low	129 Å²	129	139.6 Å²	139.6	69%	0.69	71%	0.708	S	S	*	*			trans	-169.3	6.9	162.5	-95.9	-15.9	0	0	0	114.1	N645	N645-N647 PolarHBondContact O-N 3.27Å
648	S	33.7	Very low	33.5	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-9.5	-174.8	53.2	0	0	0	0	115.5
649	H	33.5	Very low	35	Very low	168 Å²	168	134.8 Å²	134.8	78%	0.778	69%	0.686	S	S	*	*	H	α-helix	trans	-88.2	-13.3	-175.1	-83.6	-74.1	0	0	0	115
650	I	33.5	Very low	36.2	Very low	112 Å²	112	127.1 Å²	127.1	57%	0.574	67%	0.667	S	S	*	*	H	α-helix	trans	-86.7	-32.6	-174.5	-63.1	170.5	0	0	0	112.1
651	C	36.7	Very low	38	Very low	83 Å²	83	126.6 Å²	126.6	56%	0.561	65%	0.65	S	S	*	*	H	α-helix	trans	-74.4	-30.2	-179.2	-82.4	0	0	0	0	114.6	S653 I655	C651-S653 VanDerWaalsContact C-N 3.32Å; C651-I655 WeakPolarHBondContact O-CG1 3.48Å
652	V	39.5	Very low	39.7	Very low	88 Å²	88	120.2 Å²	120.2	53%	0.533	63%	0.633	S	S	.	*	H	α-helix	trans	-72.5	-30.9	-178.2	-177.1	0	0	0	0	111.2	F656	V652-F656 HydrophobicContact CG1-CD2 4.33Å; V652-F656 HydrophobicContact CG1-CE2 4.5Å; V652-F656 PolarHBondContact O-N 2.83Å
653	S	40.1	Very low	41.2	Very low	75 Å²	75	118.7 Å²	118.7	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-65.3	-42.3	176.9	170	0	0	0	0	112.7	C651 L657	C651-S653 VanDerWaalsContact C-N 3.32Å; S653-L657 PolarHBondContact O-N 3.06Å
654	Q	40.9	Very low	42.3	Very low	117 Å²	117	118 Å²	118	55%	0.547	61%	0.613	S	S	.	*	H	α-helix	trans	-70.8	-35.4	-178	-72.9	-178.6	-25.2	0	0	112.9	L657 Y658	Q654-L657 WeakPolarHBondContact O-CB 3.25Å; Q654-L657 PolarHBondContact O-N 2.84Å; Q654-Y658 VanDerWaalsContact O-CD2 3.26Å; Q654-Y658 WeakPolarHBondContact O-CD2 3.34Å; Q654-Y658 PolarHBondContact O-N 2.87Å; Q654-Y658 VanDerWaalsContact O-N 3.13Å
655	I	52.8	Low	43.8	Very low	110 Å²	110	113.2 Å²	113.2	56%	0.564	60%	0.595	S	S	*	*	H	α-helix	trans	-66.9	-39.5	179.2	-64.8	169.5	0	0	0	111.2	C651 L657 Y658 F659	C651-I655 WeakPolarHBondContact O-CG1 3.48Å; I655-L657 VanDerWaalsContact C-N 3.28Å; I655-L657 PolarHBondContact O-N 3.5Å; I655-Y658 PolarHBondContact O-N 2.94Å; I655-F659 PolarHBondContact O-N 3.07Å; I655-F659 VanDerWaalsContact O-N 3.08Å
656	F	45.7	Very low	45.1	Very low	147 Å²	147	110.5 Å²	110.5	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-65.7	-31.8	175	-98.1	-84.2	0	0	0	113	V652 S660	V652-F656 HydrophobicContact CG1-CD2 4.33Å; V652-F656 HydrophobicContact CG1-CE2 4.5Å; V652-F656 PolarHBondContact O-N 2.83Å; F656-S660 WeakPolarHBondContact O-CB 3.09Å; F656-S660 PolarHBondContact O-N 2.71Å; F656-S660 VanDerWaalsContact O-N 3.1Å; F656-S660 PolarHBondContact O-OG 3.15Å
657	L	44.9	Very low	46.4	Very low	112 Å²	112	110.9 Å²	110.9	59%	0.586	58%	0.577	S	S	*	*	H	α-helix	trans	-69.4	-43.8	177.1	-140.1	114.4	0	0	0	111.3	S653 Q654 I655 S660 I661	S653-L657 PolarHBondContact O-N 3.06Å; Q654-L657 WeakPolarHBondContact O-CB 3.25Å; Q654-L657 PolarHBondContact O-N 2.84Å; I655-L657 VanDerWaalsContact C-N 3.28Å; I655-L657 PolarHBondContact O-N 3.5Å; L657-S660 PolarHBondContact O-N 3.47Å; L657-I661 HydrophobicContact CD2-CD1 4.16Å; L657-I661 VanDerWaalsContact O-CG1 3.31Å; L657-I661 WeakPolarHBondContact O-CG1 3.13Å; L657-I661 PolarHBondContact O-N 3.11Å; L657-I661 VanDerWaalsContact O-N 3.08Å
658	Y	52.5	Low	47.1	Very low	163 Å²	163	112.8 Å²	112.8	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-65.2	-39.3	175.7	-82.7	-72.5	0	0	0	112.8	Q654 I655 S660 I661 I662	Q654-Y658 VanDerWaalsContact O-CD2 3.26Å; Q654-Y658 WeakPolarHBondContact O-CD2 3.34Å; Q654-Y658 PolarHBondContact O-N 2.87Å; Q654-Y658 VanDerWaalsContact O-N 3.13Å; I655-Y658 PolarHBondContact O-N 2.94Å; Y658-S660 VanDerWaalsContact C-N 3.33Å; Y658-S660 PolarHBondContact O-N 3.48Å; Y658-I661 PolarHBondContact O-N 3.48Å; Y658-I662 WeakPolarHBondContact O-CG1 3.37Å; Y658-I662 PolarHBondContact O-N 3.19Å; Y658-I662 VanDerWaalsContact O-N 3.08Å
659	F	56.1	Low	47.8	Very low	151 Å²	151	115.7 Å²	115.7	66%	0.662	59%	0.591	S	S	*	*	H	α-helix	trans	-65.5	-37.6	177	-133.8	-87.4	0	0	0	112	I655 L663	I655-F659 PolarHBondContact O-N 3.07Å; I655-F659 VanDerWaalsContact O-N 3.08Å; F659-L663 WeakPolarHBondContact O-CB 3.28Å; F659-L663 PolarHBondContact O-N 2.86Å
660	S	47.3	Very low	48.2	Very low	66 Å²	66	118.7 Å²	118.7	46%	0.462	60%	0.602	S	S	.	*	H	α-helix	trans	-68.1	-38.3	176.4	-64.4	0	0	0	0	112.6	F656 L657 Y658 L663 Q664	F656-S660 WeakPolarHBondContact O-CB 3.09Å; F656-S660 PolarHBondContact O-N 2.71Å; F656-S660 VanDerWaalsContact O-N 3.1Å; F656-S660 PolarHBondContact O-OG 3.15Å; L657-S660 PolarHBondContact O-N 3.47Å; Y658-S660 VanDerWaalsContact C-N 3.33Å; Y658-S660 PolarHBondContact O-N 3.48Å; S660-L663 PolarHBondContact O-N 3.35Å; S660-Q664 WeakPolarHBondContact O-CG 3.5Å; S660-Q664 PolarHBondContact O-N 3.39Å
661	I	59.7	Low	48.9	Very low	80 Å²	80	119.1 Å²	119.1	41%	0.41	60%	0.604	S	S	.	*	H	α-helix	trans	-66.4	-43.3	177.2	-67.9	164.7	0	0	0	110.8	L657 Y658 Q664 I665	L657-I661 HydrophobicContact CD2-CD1 4.16Å; L657-I661 VanDerWaalsContact O-CG1 3.31Å; L657-I661 WeakPolarHBondContact O-CG1 3.13Å; L657-I661 PolarHBondContact O-N 3.11Å; L657-I661 VanDerWaalsContact O-N 3.08Å; Y658-I661 PolarHBondContact O-N 3.48Å; I661-Q664 PolarHBondContact O-N 3.44Å; I661-I665 HydrophobicContact CG2-CD1 3.9Å; I661-I665 VanDerWaalsContact O-CG1 3.32Å; I661-I665 WeakPolarHBondContact O-CG1 3.42Å; I661-I665 PolarHBondContact O-N 3.39Å
662	I	61.9	Low	49.5	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	61%	0.606	S	S	.	*	H	α-helix	trans	-65.6	-40.9	178.3	-66.7	169.7	0	0	0	110.8	Y658 Q664 I665 V666	Y658-I662 WeakPolarHBondContact O-CG1 3.37Å; Y658-I662 PolarHBondContact O-N 3.19Å; Y658-I662 VanDerWaalsContact O-N 3.08Å; I662-Q664 VanDerWaalsContact C-N 3.33Å; I662-Q664 PolarHBondContact O-N 3.35Å; I662-I665 PolarHBondContact O-N 3.43Å; I662-V666 WeakPolarHBondContact O-CG2 3.17Å; I662-V666 PolarHBondContact O-N 3.3Å
663	L	52.1	Low	50.1	Low	105 Å²	105	122.8 Å²	122.8	55%	0.55	61%	0.61	S	S	.	*	H	α-helix	trans	-63.6	-38.1	176.7	-170.3	68.2	0	0	0	112.1	F659 S660 V666 L667	F659-L663 WeakPolarHBondContact O-CB 3.28Å; F659-L663 PolarHBondContact O-N 2.86Å; S660-L663 PolarHBondContact O-N 3.35Å; L663-V666 PolarHBondContact O-N 3.22Å; L663-L667 HydrophobicContact CG-CD1 4.27Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 WeakPolarHBondContact O-CG 3.14Å; L663-L667 PolarHBondContact O-N 2.91Å
664	Q	50.1	Low	50.7	Low	139 Å²	139	125.6 Å²	125.6	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-68.5	-36.7	175.2	-77.1	-165.8	-13.4	0	0	113.1	S660 I661 I662 L667 M668	S660-Q664 WeakPolarHBondContact O-CG 3.5Å; S660-Q664 PolarHBondContact O-N 3.39Å; I661-Q664 PolarHBondContact O-N 3.44Å; I662-Q664 VanDerWaalsContact C-N 3.33Å; I662-Q664 PolarHBondContact O-N 3.35Å; Q664-L667 PolarHBondContact O-N 3.27Å; Q664-M668 WeakPolarHBondContact O-CB 3.42Å; Q664-M668 PolarHBondContact O-N 2.54Å
665	I	56.9	Low	51.3	Low	94 Å²	94	126.1 Å²	126.1	48%	0.482	62%	0.619	S	S	.	*	H	α-helix	trans	-66.7	-40.6	175.8	-68.3	165.9	0	0	0	110.8	I661 I662 M668 L669	I661-I665 HydrophobicContact CG2-CD1 3.9Å; I661-I665 VanDerWaalsContact O-CG1 3.32Å; I661-I665 WeakPolarHBondContact O-CG1 3.42Å; I661-I665 PolarHBondContact O-N 3.39Å; I662-I665 PolarHBondContact O-N 3.43Å; I665-M668 PolarHBondContact O-N 3.41Å; I665-L669 HydrophobicContact CG2-CD1 3.84Å; I665-L669 PolarHBondContact O-N 2.81Å; I665-L669 VanDerWaalsContact O-N 3.07Å
666	V	55.5	Low	51.2	Low	88 Å²	88	127.2 Å²	127.2	53%	0.533	62%	0.623	S	S	.	*	H	α-helix	trans	-67.7	-35.6	176.8	173.1	0	0	0	0	111.8	I662 L663	I662-V666 WeakPolarHBondContact O-CG2 3.17Å; I662-V666 PolarHBondContact O-N 3.3Å; L663-V666 PolarHBondContact O-N 3.22Å
667	L	51.6	Low	51.6	Low	115 Å²	115	125.8 Å²	125.8	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-72.7	-27.7	174.2	-78.4	165.6	0	0	0	113.4	L663 Q664	L663-L667 HydrophobicContact CG-CD1 4.27Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 WeakPolarHBondContact O-CG 3.14Å; L663-L667 PolarHBondContact O-N 2.91Å; Q664-L667 PolarHBondContact O-N 3.27Å
668	M	44.9	Very low	52.1	Low	168 Å²	168	126.8 Å²	126.8	83%	0.828	62%	0.624	S	S	*	*	H	α-helix	trans	-77.9	-27	174.6	-93.5	-83.8	-165.2	0	0	113.6	Q664 I665 K670	Q664-M668 WeakPolarHBondContact O-CB 3.42Å; Q664-M668 PolarHBondContact O-N 2.54Å; I665-M668 PolarHBondContact O-N 3.41Å; M668-K670 VanDerWaalsContact C-N 3.33Å
669	L	48.1	Very low	52.1	Low	148 Å²	148	123.8 Å²	123.8	78%	0.775	62%	0.623	S	S	*	*			trans	-85.7	-6.2	178.9	-83.7	160.3	0	0	0	113.6	I665	I665-L669 HydrophobicContact CG2-CD1 3.84Å; I665-L669 PolarHBondContact O-N 2.81Å; I665-L669 VanDerWaalsContact O-N 3.07Å
670	K	40.9	Very low	51.7	Low	232 Å²	232	121.4 Å²	121.4	100%	1.009	62%	0.619	S	S	*	*			trans	-103.5	0	178	-157.7	-175.7	-171.9	-175.5	0	109.5	M668	M668-K670 VanDerWaalsContact C-N 3.33Å

Retrieved 670 of 670 residues in 522.4 ms (Link to these results)

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