A0A3Q0KU63_SCHMA Loading...

Ig-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KU63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 405 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	43.6	Very low	61.9	Low	226 Å²	226	127.4 Å²	127.4	100%	1.113	64%	0.639	S	S	*	*				0	92.9	0	-166.7	179.1	-167.8	0	0	107.2	R3	M1-R3 PolarHBondContact O-N 3.26Å
2	M	47.2	Very low	63.1	Low	151 Å²	151	126.1 Å²	126.1	74%	0.744	63%	0.632	S	S	*	*			trans	-72.3	108.3	175.7	-91.8	178.8	175.9	0	0	107.9	Y4	M2-Y4 HydrophobicContact CB-CD2 4.13Å; M2-Y4 HydrophobicContact CB-CE2 3.78Å; M2-Y4 WeakPolarHBondContact O-CD2 3.37Å; M2-Y4 PolarHBondContact O-N 3.2Å; M2-Y4 HydrophobicContact SD-CE2 4.41Å
3	R	46.2	Very low	64.4	Low	228 Å²	228	124.5 Å²	124.5	86%	0.86	63%	0.626	S	S	*	*			trans	-73.2	101.7	169.6	-69.9	-177.4	175.8	179.5	-0.8	106.9	M1	M1-R3 PolarHBondContact O-N 3.26Å
4	Y	57	Low	65.5	Low	149 Å²	149	121.1 Å²	121.1	58%	0.584	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-79.4	116.8	173.7	-79.7	-89.8	0	0	0	108.9	M2	M2-Y4 HydrophobicContact CB-CD2 4.13Å; M2-Y4 HydrophobicContact CB-CE2 3.78Å; M2-Y4 WeakPolarHBondContact O-CD2 3.37Å; M2-Y4 PolarHBondContact O-N 3.2Å; M2-Y4 HydrophobicContact SD-CE2 4.41Å
5	T	56.4	Low	66.4	Low	131 Å²	131	123.5 Å²	123.5	80%	0.804	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-89.2	120.3	166.4	44.5	0	0	0	0	107.7	S7	T5-S7 PolarHBondContact O-N 3.31Å
6	L	60	Low	67.3	Low	106 Å²	106	122.3 Å²	122.3	56%	0.555	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.9	166.4	-82.9	108.4	0	0	0	107.6	H10 L11	L6-H10 HydrophobicContact CD2-CB 3.93Å; L6-L11 HydrophobicContact CB-CD2 4.02Å; L6-L11 HydrophobicContact CB-CG 3.9Å
7	S	73.1	Confident	68	Low	63 Å²	63	118.2 Å²	118.2	44%	0.441	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-57.3	145.6	170.5	171.5	0	0	0	0	109.8	T5 D9 H10 L11	T5-S7 PolarHBondContact O-N 3.31Å; S7-D9 PolarHBondContact O-N 3.44Å; S7-D9 VanDerWaalsContact O-N 3.12Å; S7-H10 WeakPolarHBondContact O-CB 3.21Å; S7-H10 PolarHBondContact O-N 3.3Å; S7-L11 PolarHBondContact O-N 3.26Å
8	S	74.1	Confident	68.6	Low	81 Å²	81	115.4 Å²	115.4	57%	0.566	58%	0.583	S	S	*	*	H	α-helix	trans	-46.9	-42.3	179.1	-173.1	0	0	0	0	112.4	H10 L11 M12	S8-H10 VanDerWaalsContact C-N 3.28Å; S8-H10 PolarHBondContact O-N 3.47Å; S8-L11 PolarHBondContact O-N 3.37Å; S8-L11 VanDerWaalsContact O-N 3.17Å; S8-M12 WeakPolarHBondContact O-CG 3.27Å; S8-M12 PolarHBondContact O-N 2.98Å
9	D	71.8	Confident	68.9	Low	121 Å²	121	112.9 Å²	112.9	65%	0.647	58%	0.577	S	S	*	*	H	α-helix	trans	-62.3	-35.1	-179.6	-56.5	-26.3	0	0	0	112.8	S7 L13	S7-D9 PolarHBondContact O-N 3.44Å; S7-D9 VanDerWaalsContact O-N 3.12Å; D9-L13 PolarHBondContact O-N 3.36Å; D9-L13 VanDerWaalsContact O-N 3.07Å
10	H	72.8	Confident	69	Low	71 Å²	71	113.4 Å²	113.4	33%	0.329	58%	0.58	S	S	.	*	H	α-helix	trans	-76	-36	178.4	-68.5	69.1	0	0	0	111.4	L6 S7 S8 L13 V14	L6-H10 HydrophobicContact CD2-CB 3.93Å; S7-H10 WeakPolarHBondContact O-CB 3.21Å; S7-H10 PolarHBondContact O-N 3.3Å; S8-H10 VanDerWaalsContact C-N 3.28Å; S8-H10 PolarHBondContact O-N 3.47Å; H10-L13 PolarHBondContact O-N 3.32Å; H10-V14 VanDerWaalsContact O-CG2 3.26Å; H10-V14 WeakPolarHBondContact O-CG2 3.4Å; H10-V14 PolarHBondContact O-N 3.37Å
11	L	78.5	Confident	69.2	Low	74 Å²	74	109.9 Å²	109.9	39%	0.387	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-46.3	172.3	-71.7	171.5	0	0	0	110.1	L6 S7 S8 L13 V14 Y15	L6-L11 HydrophobicContact CB-CD2 4.02Å; L6-L11 HydrophobicContact CB-CG 3.9Å; S7-L11 PolarHBondContact O-N 3.26Å; S8-L11 PolarHBondContact O-N 3.37Å; S8-L11 VanDerWaalsContact O-N 3.17Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 3.39Å; L11-V14 PolarHBondContact O-N 2.83Å; L11-Y15 HydrophobicContact CB-CD2 4.37Å; L11-Y15 HydrophobicContact CB-CE2 4.42Å; L11-Y15 WeakPolarHBondContact O-CB 3.26Å; L11-Y15 WeakPolarHBondContact O-CD2 3.41Å; L11-Y15 PolarHBondContact O-N 3.29Å
12	M	76.6	Confident	70.5	Confident	112 Å²	112	103.8 Å²	103.8	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-59.9	-42.5	177.9	-69.2	-58.9	-69.2	0	0	112.5	S8 Y15 L16	S8-M12 WeakPolarHBondContact O-CG 3.27Å; S8-M12 PolarHBondContact O-N 2.98Å; M12-Y15 PolarHBondContact O-N 2.91Å; M12-L16 WeakPolarHBondContact O-CB 2.98Å; M12-L16 WeakPolarHBondContact O-CG 3.43Å; M12-L16 PolarHBondContact O-N 2.85Å
13	L	79.6	Confident	71.6	Confident	105 Å²	105	104.5 Å²	104.5	55%	0.55	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-46.7	174.8	-170.9	85.1	0	0	0	111.6	D9 H10 L11 Y15 L16 V17	D9-L13 PolarHBondContact O-N 3.36Å; D9-L13 VanDerWaalsContact O-N 3.07Å; H10-L13 PolarHBondContact O-N 3.32Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 3.39Å; L13-Y15 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.83Å
14	V	80	Confident	72.2	Confident	78 Å²	78	96.3 Å²	96.3	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-44	178.3	172.2	0	0	0	0	110.6	H10 L11 L16 V17 V18	H10-V14 VanDerWaalsContact O-CG2 3.26Å; H10-V14 WeakPolarHBondContact O-CG2 3.4Å; H10-V14 PolarHBondContact O-N 3.37Å; L11-V14 PolarHBondContact O-N 2.83Å; V14-L16 PolarHBondContact O-N 3.02Å; V14-V17 PolarHBondContact O-N 2.76Å; V14-V18 HydrophobicContact CG1-CG2 4.26Å; V14-V18 WeakPolarHBondContact O-CB 3.45Å; V14-V18 VanDerWaalsContact O-CG2 3.25Å; V14-V18 WeakPolarHBondContact O-CG2 3.21Å; V14-V18 PolarHBondContact O-N 3.34Å
15	Y	79.9	Confident	72.5	Confident	156 Å²	156	94.5 Å²	94.5	61%	0.612	50%	0.501	S	S	*	.	H	α-helix	trans	-62	-42.1	176.1	-84.6	-68.8	0	0	0	112.5	L11 M12 L13 S19	L11-Y15 HydrophobicContact CB-CD2 4.37Å; L11-Y15 HydrophobicContact CB-CE2 4.42Å; L11-Y15 WeakPolarHBondContact O-CB 3.26Å; L11-Y15 WeakPolarHBondContact O-CD2 3.41Å; L11-Y15 PolarHBondContact O-N 3.29Å; M12-Y15 PolarHBondContact O-N 2.91Å; L13-Y15 PolarHBondContact O-N 3.34Å; Y15-S19 VanDerWaalsContact O-CB 3.23Å; Y15-S19 WeakPolarHBondContact O-CB 3.46Å; Y15-S19 PolarHBondContact O-N 3.19Å; Y15-S19 PolarHBondContact O-OG 3.42Å
16	L	79.9	Confident	72.6	Confident	104 Å²	104	93.2 Å²	93.2	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175.7	-81.5	166.7	0	0	0	111.5	M12 L13 V14 S19 L20	M12-L16 WeakPolarHBondContact O-CB 2.98Å; M12-L16 WeakPolarHBondContact O-CG 3.43Å; M12-L16 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.42Å; V14-L16 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-N 2.72Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 PolarHBondContact O-N 3.34Å
17	V	79.7	Confident	72.7	Confident	54 Å²	54	89.6 Å²	89.6	33%	0.327	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-44.3	178.2	171.8	0	0	0	0	111.3	L13 V14 L20 T21 V387	L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.83Å; V14-V17 PolarHBondContact O-N 2.76Å; V17-L20 PolarHBondContact O-N 3.17Å; V17-T21 HydrophobicContact CG1-CG2 4.45Å; V17-T21 WeakPolarHBondContact O-CB 3.19Å; V17-T21 VanDerWaalsContact O-CG2 3.27Å; V17-T21 WeakPolarHBondContact O-CG2 3.42Å; V17-T21 PolarHBondContact O-N 2.83Å; V17-T21 PolarHBondContact O-OG1 3.49Å; V17-V387 HydrophobicContact CG1-CG1 3.85Å; V17-V387 HydrophobicContact CG1-CG2 4.47Å
18	V	79	Confident	72	Confident	67 Å²	67	88.5 Å²	88.5	41%	0.406	46%	0.461	S	S	.	.	H	α-helix	trans	-64.2	-41.6	176.8	171	0	0	0	0	110.7	V14 T21 L22	V14-V18 HydrophobicContact CG1-CG2 4.26Å; V14-V18 WeakPolarHBondContact O-CB 3.45Å; V14-V18 VanDerWaalsContact O-CG2 3.25Å; V14-V18 WeakPolarHBondContact O-CG2 3.21Å; V14-V18 PolarHBondContact O-N 3.34Å; V18-T21 WeakPolarHBondContact CA-OG1 3.32Å; V18-T21 PolarHBondContact O-OG1 3.19Å; V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 VanDerWaalsContact O-CB 3.29Å; V18-L22 WeakPolarHBondContact O-CB 3.19Å; V18-L22 WeakPolarHBondContact O-CD1 3.48Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.89Å
19	S	73.3	Confident	71.3	Confident	68 Å²	68	89.4 Å²	89.4	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-67.5	-42.5	178.3	-58.1	0	0	0	0	112.4	Y15 L16 K23	Y15-S19 VanDerWaalsContact O-CB 3.23Å; Y15-S19 WeakPolarHBondContact O-CB 3.46Å; Y15-S19 PolarHBondContact O-N 3.19Å; Y15-S19 PolarHBondContact O-OG 3.42Å; L16-S19 PolarHBondContact O-N 2.72Å; S19-K23 WeakPolarHBondContact O-CB 3.4Å; S19-K23 PolarHBondContact O-N 3.44Å
20	L	72.4	Confident	70.9	Confident	122 Å²	122	86 Å²	86	64%	0.639	44%	0.439	S	S	*	.	H	α-helix	trans	-64.4	-45.4	175.8	-106.9	95.1	0	0	0	111.5	L16 V17 K23 F24	L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 PolarHBondContact O-N 3.34Å; V17-L20 PolarHBondContact O-N 3.17Å; L20-K23 PolarHBondContact O-N 3.43Å; L20-F24 WeakPolarHBondContact O-CB 3.2Å; L20-F24 PolarHBondContact O-N 3.29Å
21	T	72.6	Confident	70.8	Confident	41 Å²	41	83.2 Å²	83.2	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-44.6	179.4	49.7	0	0	0	0	111.2	V17 V18 K23 F24 F25	V17-T21 HydrophobicContact CG1-CG2 4.45Å; V17-T21 WeakPolarHBondContact O-CB 3.19Å; V17-T21 VanDerWaalsContact O-CG2 3.27Å; V17-T21 WeakPolarHBondContact O-CG2 3.42Å; V17-T21 PolarHBondContact O-N 2.83Å; V17-T21 PolarHBondContact O-OG1 3.49Å; V18-T21 WeakPolarHBondContact CA-OG1 3.32Å; V18-T21 PolarHBondContact O-OG1 3.19Å; T21-K23 PolarHBondContact O-N 3.01Å; T21-F24 PolarHBondContact O-N 2.8Å; T21-F25 WeakPolarHBondContact O-CB 3.36Å; T21-F25 WeakPolarHBondContact O-CD2 3.46Å; T21-F25 PolarHBondContact O-N 3.23Å
22	L	71.2	Confident	70.3	Confident	98 Å²	98	83 Å²	83	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-58.8	-44.2	173.9	-80	161.5	0	0	0	112.3	V18 N26	V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 VanDerWaalsContact O-CB 3.29Å; V18-L22 WeakPolarHBondContact O-CB 3.19Å; V18-L22 WeakPolarHBondContact O-CD1 3.48Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.89Å; L22-N26 WeakPolarHBondContact O-CB 3.4Å; L22-N26 VanDerWaalsContact O-CG 3.22Å; L22-N26 PolarHBondContact O-N 2.83Å; L22-N26 PolarHBondContact O-ND2 3.41Å
23	K	68.6	Low	69.6	Low	165 Å²	165	82.7 Å²	82.7	72%	0.717	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-42.8	177.3	-169.1	177.1	-179.6	-176	0	111.6	S19 L20 T21 N26 C27	S19-K23 WeakPolarHBondContact O-CB 3.4Å; S19-K23 PolarHBondContact O-N 3.44Å; L20-K23 PolarHBondContact O-N 3.43Å; T21-K23 PolarHBondContact O-N 3.01Å; K23-N26 PolarHBondContact O-N 3.36Å; K23-C27 WeakPolarHBondContact O-CB 3.28Å; K23-C27 PolarHBondContact O-N 2.92Å
24	F	60.4	Low	68.6	Low	57 Å²	57	78.6 Å²	78.6	25%	0.25	40%	0.403	C	S	.	.	H	α-helix	trans	-65.9	-46.9	178.3	-170.4	-95.9	0	0	0	112.2	L20 T21 N26 C27 Q28 D192	L20-F24 WeakPolarHBondContact O-CB 3.2Å; L20-F24 PolarHBondContact O-N 3.29Å; T21-F24 PolarHBondContact O-N 2.8Å; F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.32Å; F24-C27 PolarHBondContact O-N 2.78Å; F24-Q28 VanDerWaalsContact CE1-OE1 3.24Å; F24-Q28 PolarHBondContact O-N 2.91Å; F24-D192 HydrophobicContact CD2-CB 4.4Å; F24-D192 HydrophobicContact CE2-CB 3.98Å
25	F	62	Low	67.7	Low	110 Å²	110	82.5 Å²	82.5	48%	0.482	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.3	-80.7	-65.5	0	0	0	112	T21 H29 C394	T21-F25 WeakPolarHBondContact O-CB 3.36Å; T21-F25 WeakPolarHBondContact O-CD2 3.46Å; T21-F25 PolarHBondContact O-N 3.23Å; F25-H29 VanDerWaalsContact O-CB 3.25Å; F25-H29 WeakPolarHBondContact O-CB 3.41Å; F25-H29 PolarHBondContact O-N 3.06Å; F25-C394 VanDerWaalsContact CE1-SG 3.53Å; F25-C394 HydrophobicContact CZ-CB 4.47Å
26	N	58.4	Low	67	Low	104 Å²	104	80.2 Å²	80.2	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-44.4	175.8	-74.6	-18.2	0	0	0	111.8	L22 K23 F24 H29 V30	L22-N26 WeakPolarHBondContact O-CB 3.4Å; L22-N26 VanDerWaalsContact O-CG 3.22Å; L22-N26 PolarHBondContact O-N 2.83Å; L22-N26 PolarHBondContact O-ND2 3.41Å; K23-N26 PolarHBondContact O-N 3.36Å; F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.32Å; N26-H29 PolarHBondContact O-N 3.3Å; N26-V30 WeakPolarHBondContact O-CB 3.32Å; N26-V30 WeakPolarHBondContact O-CG2 3.26Å; N26-V30 PolarHBondContact O-N 3.38Å
27	C	62	Low	66.8	Low	31 Å²	31	77 Å²	77	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-48.4	177.3	-176.1	0	0	0	0	111.2	K23 F24 H29 V30 C31	K23-C27 WeakPolarHBondContact O-CB 3.28Å; K23-C27 PolarHBondContact O-N 2.92Å; F24-C27 PolarHBondContact O-N 2.78Å; C27-H29 PolarHBondContact O-N 3.26Å; C27-V30 WeakPolarHBondContact O-CB 3.49Å; C27-V30 PolarHBondContact O-N 3.47Å; C27-C31 PolarHBondContact O-N 3.39Å; C27-C31 PolarHBondContact O-SG 2.84Å
28	Q	59.4	Low	66.6	Low	40 Å²	40	79.1 Å²	79.1	19%	0.187	41%	0.405	C	S	.	.	H	α-helix	trans	-68.3	-35.6	-178.6	-167	150.8	12.1	0	0	112.9	F24 C31 D32 C398	F24-Q28 VanDerWaalsContact CE1-OE1 3.24Å; F24-Q28 PolarHBondContact O-N 2.91Å; Q28-C31 PolarHBondContact O-N 3.25Å; Q28-D32 WeakPolarHBondContact O-CB 3.49Å; Q28-D32 PolarHBondContact O-N 2.9Å; Q28-C398 PolarHBondContact NE2-SG 3.19Å; Q28-C398 VanDerWaalsContact NE2-SG 3.45Å
29	H	60	Low	66.5	Low	99 Å²	99	84.5 Å²	84.5	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-41.2	174	-169.9	-84.8	0	0	0	112.2	F25 N26 C27 C31 D32 E33	F25-H29 VanDerWaalsContact O-CB 3.25Å; F25-H29 WeakPolarHBondContact O-CB 3.41Å; F25-H29 PolarHBondContact O-N 3.06Å; N26-H29 PolarHBondContact O-N 3.3Å; C27-H29 PolarHBondContact O-N 3.26Å; H29-C31 VanDerWaalsContact C-N 3.33Å; H29-D32 PolarHBondContact O-N 3.11Å; H29-E33 IonicContact CE1-OE1 3.27Å; H29-E33 PolarHBondContact CE1-OE1 2.89Å; H29-E33 IonicContact CE1-OE2 3.78Å; H29-E33 PolarHBondContact CE1-OE2 2.87Å; H29-E33 IonicContact ND1-OE2 3.77Å; H29-E33 PolarHBondContact ND1-OE2 2.83Å; H29-E33 IonicContact NE2-OE1 3.56Å; H29-E33 IonicContact NE2-OE2 3.88Å; H29-E33 PolarHBondContact O-N 3.4Å
30	V	62	Low	67.3	Low	50 Å²	50	82.3 Å²	82.3	30%	0.303	41%	0.414	S	S	.	.	H	α-helix	trans	-58.7	-47.3	172.4	170.5	0	0	0	0	109.2	N26 C27 D32 N34 Y55 I189	N26-V30 WeakPolarHBondContact O-CB 3.32Å; N26-V30 WeakPolarHBondContact O-CG2 3.26Å; N26-V30 PolarHBondContact O-N 3.38Å; C27-V30 WeakPolarHBondContact O-CB 3.49Å; C27-V30 PolarHBondContact O-N 3.47Å; V30-D32 PolarHBondContact O-N 2.86Å; V30-N34 WeakPolarHBondContact CG1-ND2 3.34Å; V30-N34 WeakPolarHBondContact O-CB 3.18Å; V30-N34 PolarHBondContact O-N 3.49Å; V30-N34 PolarHBondContact O-ND2 3.18Å; V30-N34 PolarHBondContact O-OD1 3.36Å; V30-Y55 HydrophobicContact CG1-CE2 4.26Å; V30-Y55 VanDerWaalsContact CG1-OH 3.29Å; V30-Y55 WeakPolarHBondContact CG1-OH 3.45Å; V30-I189 HydrophobicContact CG1-CD1 3.91Å
31	C	72.1	Confident	68.2	Low	13 Å²	13	80.5 Å²	80.5	9%	0.088	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-32.1	179.4	-58.4	0	0	0	0	114.5	C27 Q28 H29 C191	C27-C31 PolarHBondContact O-N 3.39Å; C27-C31 PolarHBondContact O-SG 2.84Å; Q28-C31 PolarHBondContact O-N 3.25Å; H29-C31 VanDerWaalsContact C-N 3.33Å; C31-C191 HydrophobicContact CB-CB 3.96Å; C31-C191 WeakPolarHBondContact CB-SG 3.43Å; C31-C191 VanDerWaalsContact SG-CA 3.51Å; C31-C191 WeakPolarHBondContact SG-CB 3.45Å; C31-C191 CovalentContact SG-SG 2.03Å; C31-C191 PolarHBondContact SG-SG 2.87Å
32	D	68.1	Low	69.2	Low	68 Å²	68	83.4 Å²	83.4	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-81.7	-45.1	-177.5	-90.6	11.4	0	0	0	113.9	Q28 H29 V30 K401	Q28-D32 WeakPolarHBondContact O-CB 3.49Å; Q28-D32 PolarHBondContact O-N 2.9Å; H29-D32 PolarHBondContact O-N 3.11Å; V30-D32 PolarHBondContact O-N 2.86Å; D32-K401 IonicContact OD2-NZ 2.78Å; D32-K401 PolarHBondContact OD2-NZ 3.46Å
33	E	61.7	Low	70.2	Confident	106 Å²	106	79.5 Å²	79.5	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-75.2	-31	-178.7	-87.7	-168.8	160.6	0	0	112.8	H29 Y35	H29-E33 IonicContact CE1-OE1 3.27Å; H29-E33 PolarHBondContact CE1-OE1 2.89Å; H29-E33 IonicContact CE1-OE2 3.78Å; H29-E33 PolarHBondContact CE1-OE2 2.87Å; H29-E33 IonicContact ND1-OE2 3.77Å; H29-E33 PolarHBondContact ND1-OE2 2.83Å; H29-E33 IonicContact NE2-OE1 3.56Å; H29-E33 IonicContact NE2-OE2 3.88Å; H29-E33 PolarHBondContact O-N 3.4Å; E33-Y35 VanDerWaalsContact C-N 3.29Å; E33-Y35 PolarHBondContact O-N 3.22Å
34	N	58.2	Low	71.4	Confident	20 Å²	20	74.2 Å²	74.2	11%	0.107	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-67.9	-21.7	-168.9	-78.8	-11.2	0	0	0	115.2	V30 S36 L37 K38 Y55 F199	V30-N34 WeakPolarHBondContact CG1-ND2 3.34Å; V30-N34 WeakPolarHBondContact O-CB 3.18Å; V30-N34 PolarHBondContact O-N 3.49Å; V30-N34 PolarHBondContact O-ND2 3.18Å; V30-N34 PolarHBondContact O-OD1 3.36Å; N34-S36 PolarHBondContact O-N 3.26Å; N34-S36 VanDerWaalsContact O-N 3.13Å; N34-L37 PolarHBondContact O-N 3.35Å; N34-K38 PolarHBondContact O-N 3.25Å; N34-Y55 HydrophobicContact CB-CD2 4.14Å; N34-Y55 WeakPolarHBondContact ND2-CD2 3.5Å; N34-Y55 WeakPolarHBondContact ND2-CE2 3.5Å; N34-Y55 WeakPolarHBondContact OD1-CD2 3.47Å; N34-Y55 WeakPolarHBondContact OD1-CE2 3.4Å; N34-F199 HydrophobicContact CB-CE1 4.38Å
35	Y	60.6	Low	73	Confident	160 Å²	160	75.7 Å²	75.7	63%	0.627	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33	-174.1	-167.2	-95.5	0	0	0	112	E33 L37 K38	E33-Y35 VanDerWaalsContact C-N 3.29Å; E33-Y35 PolarHBondContact O-N 3.22Å; Y35-L37 PolarHBondContact O-N 3.27Å; Y35-K38 HydrophobicContact CE2-CD 4.36Å; Y35-K38 WeakPolarHBondContact O-CB 3.28Å; Y35-K38 PolarHBondContact O-N 2.97Å
36	S	66.4	Low	74.5	Confident	107 Å²	107	73.8 Å²	73.8	75%	0.748	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-66.6	-23	179	-56.5	0	0	0	0	113.9	N34	N34-S36 PolarHBondContact O-N 3.26Å; N34-S36 VanDerWaalsContact O-N 3.13Å
37	L	74.2	Confident	76.1	Confident	38 Å²	38	76.2 Å²	76.2	20%	0.199	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-106.4	7.7	-179.3	-67	178.1	0	0	0	112.9	N34 Y35 G40 K41 Q53 Y55	N34-L37 PolarHBondContact O-N 3.35Å; Y35-L37 PolarHBondContact O-N 3.27Å; L37-G40 PolarHBondContact O-N 3.34Å; L37-K41 HydrophobicContact CD2-CB 4.18Å; L37-Q53 HydrophobicContact CD1-CG 4.31Å; L37-Q53 HydrophobicContact CD2-CG 4.15Å; L37-Y55 PolarHBondContact O-N 3.16Å
38	K	75.5	Confident	77.5	Confident	97 Å²	97	76.7 Å²	76.7	42%	0.422	39%	0.391	S	S	.	.	S	Bend	trans	-62.2	-43.7	178	-174	-175.5	176.6	-173.8	0	112.2	N34 Y35 G40 D198 F199	N34-K38 PolarHBondContact O-N 3.25Å; Y35-K38 HydrophobicContact CE2-CD 4.36Å; Y35-K38 WeakPolarHBondContact O-CB 3.28Å; Y35-K38 PolarHBondContact O-N 2.97Å; K38-G40 VanDerWaalsContact C-N 3.3Å; K38-D198 VanDerWaalsContact CE-O 3.31Å; K38-D198 WeakPolarHBondContact CE-O 3.26Å; K38-F199 HydrophobicContact CG-CD1 4.4Å
39	E	78.4	Confident	79.1	Confident	180 Å²	180	76.9 Å²	76.9	84%	0.841	39%	0.391	S	S	*	.	S	Bend	trans	-84.9	-7.4	177.2	-64.9	179.7	179.1	0	0	112.7
40	G	88.7	Confident	80.9	Confident	22 Å²	22	72.4 Å²	72.4	23%	0.227	37%	0.372	C	S	.	.			trans	75.4	152.8	-170.7	0	0	0	0	0	114.2	L37 K38 Q53 H54	L37-G40 PolarHBondContact O-N 3.34Å; K38-G40 VanDerWaalsContact C-N 3.3Å; G40-Q53 CarbonylContact C-O 3.57Å; G40-Q53 VanDerWaalsContact CA-O 3.25Å; G40-Q53 WeakPolarHBondContact CA-O 3.46Å; G40-H54 VanDerWaalsContact CA-CE1 3.44Å; G40-H54 WeakPolarHBondContact CA-CE1 3.43Å; G40-H54 VanDerWaalsContact CA-ND1 3.26Å; G40-H54 WeakPolarHBondContact CA-ND1 3.27Å
41	K	91.3	Very high	82.5	Confident	85 Å²	85	70 Å²	70	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112	173	-179.1	-179.5	173.4	-170.6	0	109.2	L37 V43 S52 Q53 A247 M249	L37-K41 HydrophobicContact CD2-CB 4.18Å; K41-V43 PolarHBondContact O-N 3.32Å; K41-S52 CarbonylContact O-C 3.52Å; K41-S52 WeakPolarHBondContact O-CA 3.37Å; K41-Q53 PolarHBondContact N-O 3.46Å; K41-Q53 PolarHBondContact O-N 3.41Å; K41-A247 PolarHBondContact NZ-O 3.01Å; K41-M249 HydrophobicContact CD-CE 4.33Å; K41-M249 HydrophobicContact CD-SD 4.03Å
42	L	93.8	Very high	83.6	Confident	102 Å²	102	70 Å²	70	53%	0.534	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	123.8	168.8	-173.8	69	0	0	0	109.5	Q45	L42-Q45 HydrophobicContact CD1-CB 4.31Å; L42-Q45 HydrophobicContact CD2-CB 4.35Å
43	V	93.1	Very high	84.9	Confident	15 Å²	15	66.8 Å²	66.8	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-49.3	-176.9	-179.3	0	0	0	0	110.4	K41 Y51 Q53 A247 M249 I251	K41-V43 PolarHBondContact O-N 3.32Å; V43-Y51 HydrophobicContact CB-CD1 3.52Å; V43-Y51 HydrophobicContact CB-CE1 4.17Å; V43-Y51 HydrophobicContact CB-CG 4.35Å; V43-Y51 HydrophobicContact CG1-CD1 4.2Å; V43-Y51 HydrophobicContact CG2-CD1 3.38Å; V43-Y51 HydrophobicContact CG2-CE1 3.6Å; V43-Y51 PolarHBondContact N-O 2.9Å; V43-Q53 HydrophobicContact CG2-CB 4.31Å; V43-A247 HydrophobicContact CB-CB 4.42Å; V43-A247 HydrophobicContact CG1-CB 3.48Å; V43-A247 VanDerWaalsContact CG1-CB 3.48Å; V43-M249 HydrophobicContact CG2-CE 3.24Å; V43-I251 HydrophobicContact CG1-CG2 4.18Å; V43-I251 HydrophobicContact CG2-CG2 4.43Å
44	F	93.1	Very high	86.4	Confident	55 Å²	55	62.3 Å²	62.3	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.8	173.8	65.5	-98.5	0	0	0	110.3	Y51 H244 I251 T254	F44-Y51 HydrophobicContact CD1-CG 4.35Å; F44-Y51 HydrophobicContact CE1-CD2 4.08Å; F44-Y51 AromaticContact CE1-CG 3.77Å; F44-Y51 HydrophobicContact CE1-CG 3.77Å; F44-Y51 HydrophobicContact CZ-CD2 4.29Å; F44-Y51 HydrophobicContact CZ-CG 4.16Å; F44-Y51 PolarHBondContact N-O 3.44Å; F44-Y51 PolarHBondContact O-N 3.43Å; F44-H244 AromaticContact CD1-NE2 3.64Å; F44-I251 HydrophobicContact CE1-CD1 4.33Å; F44-T254 HydrophobicContact CE1-CG2 4.49Å; F44-T254 HydrophobicContact CZ-CG2 4.2Å
45	Q	94.5	Very high	88	Confident	87 Å²	87	62.9 Å²	62.9	41%	0.407	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	137.2	176.3	-178.9	179.4	-19.6	0	0	109	L42 H49 A50 K206 W207	L42-Q45 HydrophobicContact CD1-CB 4.31Å; L42-Q45 HydrophobicContact CD2-CB 4.35Å; Q45-H49 CarbonylContact C-O 3.53Å; Q45-H49 WeakPolarHBondContact CA-O 3.44Å; Q45-A50 HydrophobicContact CB-CB 4.33Å; Q45-A50 HydrophobicContact CG-CB 4.07Å; Q45-K206 VanDerWaalsContact NE2-CE 3.3Å; Q45-W207 HydrophobicContact CG-CZ2 3.84Å
46	D	92.8	Very high	89.5	Confident	71 Å²	71	57.3 Å²	57.3	38%	0.38	30%	0.299	S	S	.	.			trans	-128.2	-166.8	164.4	64.5	56.6	0	0	0	109.7	S48 H49 W207	D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 WeakPolarHBondContact OD1-CA 3.28Å; D46-S48 PolarHBondContact OD1-N 3.14Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; D46-H49 PolarHBondContact N-O 3.2Å; D46-H49 PolarHBondContact OD1-N 3.45Å; D46-H49 IonicContact OD1-ND1 2.68Å; D46-H49 IonicContact OD2-ND1 3.12Å; D46-W207 VanDerWaalsContact O-CH2 3.27Å; D46-W207 WeakPolarHBondContact O-CH2 3.41Å
47	D	91.8	Very high	90.9	Very high	155 Å²	155	52.2 Å²	52.2	83%	0.829	26%	0.264	S	S	*	.	S	Bend	trans	-72	-14.2	-177.6	-63.2	-28.2	0	0	0	113.8
48	S	92.4	Very high	91.9	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	25%	0.254	S	S	.	.	S	Bend	trans	-127.7	-20.3	-170	60.2	0	0	0	0	114.8	D46 R62 V63	D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 WeakPolarHBondContact OD1-CA 3.28Å; D46-S48 PolarHBondContact OD1-N 3.14Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; S48-R62 WeakPolarHBondContact O-CA 3.29Å; S48-V63 PolarHBondContact O-N 2.91Å
49	H	93.4	Very high	92.9	Very high	44 Å²	44	46.3 Å²	46.3	20%	0.204	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.2	-178.3	-55.4	86.1	0	0	0	111.3	Q45 D46 I61	Q45-H49 CarbonylContact C-O 3.53Å; Q45-H49 WeakPolarHBondContact CA-O 3.44Å; D46-H49 PolarHBondContact N-O 3.2Å; D46-H49 PolarHBondContact OD1-N 3.45Å; D46-H49 IonicContact OD1-ND1 2.68Å; D46-H49 IonicContact OD2-ND1 3.12Å; H49-I61 VanDerWaalsContact CA-O 3.25Å; H49-I61 WeakPolarHBondContact CA-O 3.38Å
50	A	96.2	Very high	93.7	Very high	5 Å²	5	38 Å²	38	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.5	166.1	0	0	0	0	0	110.1	Q45 I60 I61 W207	Q45-A50 HydrophobicContact CB-CB 4.33Å; Q45-A50 HydrophobicContact CG-CB 4.07Å; A50-I60 CarbonylContact O-C 3.46Å; A50-I60 WeakPolarHBondContact O-CA 3.08Å; A50-I61 HydrophobicContact CB-CB 4.21Å; A50-I61 HydrophobicContact CB-CD1 4.49Å; A50-I61 PolarHBondContact N-O 3.27Å; A50-I61 VanDerWaalsContact N-O 3.08Å; A50-I61 PolarHBondContact O-N 3.35Å; A50-W207 HydrophobicContact CB-CZ2 3.8Å
51	Y	96.5	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127	171.1	-176.4	-69.5	0	0	0	109.1	V43 F44 Q53 S58 Q59 I60 I251 V252 T254	V43-Y51 HydrophobicContact CB-CD1 3.52Å; V43-Y51 HydrophobicContact CB-CE1 4.17Å; V43-Y51 HydrophobicContact CB-CG 4.35Å; V43-Y51 HydrophobicContact CG1-CD1 4.2Å; V43-Y51 HydrophobicContact CG2-CD1 3.38Å; V43-Y51 HydrophobicContact CG2-CE1 3.6Å; V43-Y51 PolarHBondContact N-O 2.9Å; F44-Y51 HydrophobicContact CD1-CG 4.35Å; F44-Y51 HydrophobicContact CE1-CD2 4.08Å; F44-Y51 AromaticContact CE1-CG 3.77Å; F44-Y51 HydrophobicContact CE1-CG 3.77Å; F44-Y51 HydrophobicContact CZ-CD2 4.29Å; F44-Y51 HydrophobicContact CZ-CG 4.16Å; F44-Y51 PolarHBondContact N-O 3.44Å; F44-Y51 PolarHBondContact O-N 3.43Å; Y51-Q53 HydrophobicContact CE1-CB 4.22Å; Y51-Q53 PolarHBondContact OH-OE1 2.9Å; Y51-S58 WeakPolarHBondContact OH-CB 3.1Å; Y51-S58 PolarHBondContact OH-OG 2.83Å; Y51-Q59 WeakPolarHBondContact CA-O 3.49Å; Y51-I60 HydrophobicContact CD2-CD1 4.4Å; Y51-I60 HydrophobicContact CD2-CG1 3.78Å; Y51-I60 HydrophobicContact CE2-CD1 4.35Å; Y51-I60 HydrophobicContact CE2-CG1 4.03Å; Y51-I251 HydrophobicContact CE1-CB 4.14Å; Y51-I251 HydrophobicContact CE1-CG2 3.79Å; Y51-I251 HydrophobicContact CE2-CB 4.3Å; Y51-I251 HydrophobicContact CE2-CD1 4.35Å; Y51-I251 WeakPolarHBondContact OH-CB 3.46Å; Y51-V252 PolarHBondContact OH-N 2.98Å; Y51-T254 HydrophobicContact CD2-CG2 3.67Å; Y51-T254 HydrophobicContact CE2-CG2 3.96Å
52	S	95.9	Very high	94.3	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141	169.5	63.6	0	0	0	0	110.8	K41 H54 Q59	K41-S52 CarbonylContact O-C 3.52Å; K41-S52 WeakPolarHBondContact O-CA 3.37Å; S52-H54 PolarHBondContact OG-CD2 3.19Å; S52-H54 PolarHBondContact OG-NE2 3.33Å; S52-Q59 PolarHBondContact N-O 3.02Å; S52-Q59 PolarHBondContact O-N 2.87Å; S52-Q59 PolarHBondContact OG-OE1 2.78Å
53	Q	94.6	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.9	177.2	-178.4	57.5	53.3	0	0	109.5	L37 G40 K41 V43 Y51 Y57 S58 S219 P223 M249	L37-Q53 HydrophobicContact CD1-CG 4.31Å; L37-Q53 HydrophobicContact CD2-CG 4.15Å; G40-Q53 CarbonylContact C-O 3.57Å; G40-Q53 VanDerWaalsContact CA-O 3.25Å; G40-Q53 WeakPolarHBondContact CA-O 3.46Å; K41-Q53 PolarHBondContact N-O 3.46Å; K41-Q53 PolarHBondContact O-N 3.41Å; V43-Q53 HydrophobicContact CG2-CB 4.31Å; Y51-Q53 HydrophobicContact CE1-CB 4.22Å; Y51-Q53 PolarHBondContact OH-OE1 2.9Å; Q53-Y57 PolarHBondContact NE2-O 3.07Å; Q53-S58 PolarHBondContact OE1-OG 3.12Å; Q53-S219 PolarHBondContact NE2-OG 3.29Å; Q53-S219 PolarHBondContact OE1-OG 2.94Å; Q53-P223 HydrophobicContact CG-CB 4.37Å; Q53-P223 HydrophobicContact CG-CG 4.08Å; Q53-M249 HydrophobicContact CB-CE 3.63Å; Q53-M249 HydrophobicContact CG-CE 4.07Å; Q53-M249 HydrophobicContact CG-SD 4.49Å
54	H	94.1	Very high	94.2	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.056	18%	0.184	C	C	.	.			trans	-118.3	178.6	177.7	-65.1	-93.7	0	0	0	110.2	G40 S52 H56 Y57 I201	G40-H54 VanDerWaalsContact CA-CE1 3.44Å; G40-H54 WeakPolarHBondContact CA-CE1 3.43Å; G40-H54 VanDerWaalsContact CA-ND1 3.26Å; G40-H54 WeakPolarHBondContact CA-ND1 3.27Å; S52-H54 PolarHBondContact OG-CD2 3.19Å; S52-H54 PolarHBondContact OG-NE2 3.33Å; H54-H56 PolarHBondContact O-N 2.94Å; H54-Y57 CarbonylContact C-O 3.51Å; H54-Y57 WeakPolarHBondContact CA-O 3.4Å; H54-Y57 WeakPolarHBondContact CB-O 3.48Å; H54-Y57 PolarHBondContact N-O 3.17Å; H54-I201 HydrophobicContact CB-CD1 3.6Å; H54-I201 HydrophobicContact CB-CG1 3.86Å
55	Y	90.4	Very high	94	Very high	31 Å²	31	36.7 Å²	36.7	12%	0.122	19%	0.185	C	C	.	.	S	Bend	trans	-61.1	130.5	167.6	174.4	-117	0	0	0	110.5	V30 N34 L37 Y57 F92 I189 F199	V30-Y55 HydrophobicContact CG1-CE2 4.26Å; V30-Y55 VanDerWaalsContact CG1-OH 3.29Å; V30-Y55 WeakPolarHBondContact CG1-OH 3.45Å; N34-Y55 HydrophobicContact CB-CD2 4.14Å; N34-Y55 WeakPolarHBondContact ND2-CD2 3.5Å; N34-Y55 WeakPolarHBondContact ND2-CE2 3.5Å; N34-Y55 WeakPolarHBondContact OD1-CD2 3.47Å; N34-Y55 WeakPolarHBondContact OD1-CE2 3.4Å; L37-Y55 PolarHBondContact O-N 3.16Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y55-F92 AromaticContact CD1-CD1 3.82Å; Y55-F92 HydrophobicContact CD1-CD1 3.82Å; Y55-F92 HydrophobicContact CD1-CE1 4.33Å; Y55-F92 HydrophobicContact CE1-CD1 4.05Å; Y55-I189 HydrophobicContact CE1-CD1 4Å; Y55-I189 HydrophobicContact CE1-CG2 4.1Å; Y55-F199 AromaticContact CD1-CD1 3.76Å; Y55-F199 HydrophobicContact CD1-CD1 3.76Å; Y55-F199 AromaticContact CD1-CD2 3.61Å; Y55-F199 HydrophobicContact CD1-CD2 3.61Å; Y55-F199 AromaticContact CD1-CE1 3.57Å; Y55-F199 HydrophobicContact CD1-CE1 3.57Å; Y55-F199 AromaticContact CD1-CE2 3.4Å; Y55-F199 HydrophobicContact CD1-CE2 3.4Å; Y55-F199 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F199 AromaticContact CD1-CG 3.78Å; Y55-F199 HydrophobicContact CD1-CG 3.78Å; Y55-F199 AromaticContact CD1-CZ 3.39Å; Y55-F199 HydrophobicContact CD1-CZ 3.39Å; Y55-F199 HydrophobicContact CE1-CD2 4.07Å; Y55-F199 HydrophobicContact CE1-CE1 4.33Å; Y55-F199 AromaticContact CE1-CE2 3.55Å; Y55-F199 HydrophobicContact CE1-CE2 3.55Å; Y55-F199 AromaticContact CE1-CZ 3.7Å; Y55-F199 HydrophobicContact CE1-CZ 3.7Å; Y55-F199 HydrophobicContact CG-CD1 4.01Å; Y55-F199 AromaticContact CG-CE1 3.72Å; Y55-F199 HydrophobicContact CG-CE1 3.72Å; Y55-F199 HydrophobicContact CG-CE2 4.36Å; Y55-F199 HydrophobicContact CG-CG 4.44Å; Y55-F199 AromaticContact CG-CZ 3.92Å; Y55-F199 HydrophobicContact CG-CZ 3.92Å
56	H	92.1	Very high	93.5	Very high	44 Å²	44	36.7 Å²	36.7	20%	0.204	19%	0.193	C	C	.	.	S	Bend	trans	63.4	-30.2	179.3	-167.8	-84	0	0	0	116.6	H54 F92 G93 S219	H54-H56 PolarHBondContact O-N 2.94Å; H56-F92 HydrophobicContact CB-CD1 3.73Å; H56-F92 HydrophobicContact CB-CE1 4.36Å; H56-G93 PolarHBondContact NE2-N 3.09Å; H56-S219 PolarHBondContact O-N 2.86Å; H56-S219 PolarHBondContact O-OG 3.37Å
57	Y	95.5	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.5	-175.8	-74.3	-77	0	0	0	113	Q53 H54 Y55 V91 F92 G166 L185 I201 K217 V218 S219	Q53-Y57 PolarHBondContact NE2-O 3.07Å; H54-Y57 CarbonylContact C-O 3.51Å; H54-Y57 WeakPolarHBondContact CA-O 3.4Å; H54-Y57 WeakPolarHBondContact CB-O 3.48Å; H54-Y57 PolarHBondContact N-O 3.17Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y57-V91 HydrophobicContact CE2-CG2 4.42Å; Y57-F92 HydrophobicContact CD2-CD1 4.08Å; Y57-F92 AromaticContact CD2-CE1 3.69Å; Y57-F92 HydrophobicContact CD2-CE1 3.69Å; Y57-F92 HydrophobicContact CD2-CE2 4.33Å; Y57-F92 AromaticContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CE2-CD1 4.17Å; Y57-F92 HydrophobicContact CE2-CD2 4.18Å; Y57-F92 HydrophobicContact CE2-CE1 4.08Å; Y57-F92 HydrophobicContact CE2-CE2 4.04Å; Y57-F92 HydrophobicContact CE2-CG 4.22Å; Y57-F92 HydrophobicContact CE2-CZ 4.01Å; Y57-G166 WeakPolarHBondContact CE1-O 3.35Å; Y57-G166 PolarHBondContact OH-O 3.42Å; Y57-G166 VanDerWaalsContact OH-O 3.11Å; Y57-L185 HydrophobicContact CD2-CD2 4.03Å; Y57-L185 HydrophobicContact CE2-CD2 4.15Å; Y57-L185 HydrophobicContact CG-CD2 4.35Å; Y57-I201 HydrophobicContact CD2-CD1 4.38Å; Y57-I201 HydrophobicContact CG-CD1 4.48Å; Y57-K217 CarbonylContact C-O 3.54Å; Y57-K217 WeakPolarHBondContact CA-O 3.25Å; Y57-V218 HydrophobicContact CD1-CG2 4.41Å; Y57-V218 HydrophobicContact CE1-CG2 3.78Å; Y57-S219 WeakPolarHBondContact CA-OG 3.39Å; Y57-S219 PolarHBondContact O-OG 3.32Å
58	S	95.4	Very high	92.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.3	163.3	-53.7	0	0	0	0	107.5	Y51 Q53 Y216 K217 S219 V252	Y51-S58 WeakPolarHBondContact OH-CB 3.1Å; Y51-S58 PolarHBondContact OH-OG 2.83Å; Q53-S58 PolarHBondContact OE1-OG 3.12Å; S58-Y216 WeakPolarHBondContact O-CA 3.37Å; S58-K217 PolarHBondContact N-O 2.89Å; S58-K217 PolarHBondContact O-N 3.42Å; S58-S219 PolarHBondContact N-OG 3.49Å; S58-S219 PolarHBondContact OG-OG 2.83Å; S58-V252 WeakPolarHBondContact OG-CG2 3.33Å
59	Q	97	Very high	91.1	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.2	175.6	-177.7	-166	61.6	0	0	108.8	Y51 S52 I61 I201 S202 V214 E215 Y216	Y51-Q59 WeakPolarHBondContact CA-O 3.49Å; S52-Q59 PolarHBondContact N-O 3.02Å; S52-Q59 PolarHBondContact O-N 2.87Å; S52-Q59 PolarHBondContact OG-OE1 2.78Å; Q59-I61 HydrophobicContact CG-CG1 4.22Å; Q59-I201 HydrophobicContact CB-CG2 4.16Å; Q59-I201 HydrophobicContact CG-CG2 4.43Å; Q59-S202 PolarHBondContact NE2-O 2.79Å; Q59-S202 VanDerWaalsContact NE2-O 3.1Å; Q59-V214 HydrophobicContact CG-CG1 3.82Å; Q59-E215 CarbonylContact C-O 3.53Å; Q59-E215 WeakPolarHBondContact CA-O 3.39Å; Q59-Y216 HydrophobicContact CB-CD1 4.13Å; Q59-Y216 HydrophobicContact CB-CE1 4.13Å; Q59-Y216 HydrophobicContact CG-CD1 4.15Å; Q59-Y216 HydrophobicContact CG-CE1 3.76Å
60	I	96	Very high	90.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.8	177	-51.4	170.7	0	0	0	107.3	A50 Y51 R62 V214 E215 K217 T254	A50-I60 CarbonylContact O-C 3.46Å; A50-I60 WeakPolarHBondContact O-CA 3.08Å; Y51-I60 HydrophobicContact CD2-CD1 4.4Å; Y51-I60 HydrophobicContact CD2-CG1 3.78Å; Y51-I60 HydrophobicContact CE2-CD1 4.35Å; Y51-I60 HydrophobicContact CE2-CG1 4.03Å; I60-R62 HydrophobicContact CG2-CG 4.28Å; I60-V214 CarbonylContact O-C 3.6Å; I60-V214 WeakPolarHBondContact O-CA 3.37Å; I60-E215 HydrophobicContact CB-CB 4.17Å; I60-E215 HydrophobicContact CB-CG 4.46Å; I60-E215 PolarHBondContact N-O 3.27Å; I60-E215 PolarHBondContact O-N 3.19Å; I60-K217 HydrophobicContact CD1-CD 3.84Å; I60-K217 HydrophobicContact CD1-CG 4.21Å; I60-T254 HydrophobicContact CD1-CG2 4.23Å
61	I	96.5	Very high	89	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135	178.2	-56.4	179.6	0	0	0	108.3	H49 A50 Q59 V203 W207 T212 L213 V214	H49-I61 VanDerWaalsContact CA-O 3.25Å; H49-I61 WeakPolarHBondContact CA-O 3.38Å; A50-I61 HydrophobicContact CB-CB 4.21Å; A50-I61 HydrophobicContact CB-CD1 4.49Å; A50-I61 PolarHBondContact N-O 3.27Å; A50-I61 VanDerWaalsContact N-O 3.08Å; A50-I61 PolarHBondContact O-N 3.35Å; Q59-I61 HydrophobicContact CG-CG1 4.22Å; I61-V203 HydrophobicContact CD1-CG1 4.26Å; I61-W207 HydrophobicContact CD1-CB 4.13Å; I61-W207 HydrophobicContact CD1-CD2 4.44Å; I61-W207 HydrophobicContact CD1-CG 3.81Å; I61-W207 HydrophobicContact CG2-CB 3.92Å; I61-W207 HydrophobicContact CG2-CD2 3.75Å; I61-W207 HydrophobicContact CG2-CE3 3.77Å; I61-W207 HydrophobicContact CG2-CG 3.83Å; I61-T212 HydrophobicContact CG2-CG2 3.66Å; I61-L213 WeakPolarHBondContact CA-O 3.39Å; I61-V214 HydrophobicContact CG1-CG1 4.39Å; I61-V214 HydrophobicContact CG1-CG2 4.26Å
62	R	94.8	Very high	88.1	Confident	23 Å²	23	36 Å²	36	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.4	176.4	-48.5	-168.4	-177.8	-105.7	5.7	110.5	S48 I60 R65 T212 L213 E215 T254	S48-R62 WeakPolarHBondContact O-CA 3.29Å; I60-R62 HydrophobicContact CG2-CG 4.28Å; R62-R65 HydrophobicContact CB-CG 3.75Å; R62-T212 WeakPolarHBondContact O-CA 3.29Å; R62-L213 PolarHBondContact N-O 2.76Å; R62-L213 PolarHBondContact O-N 3.34Å; R62-E215 WeakPolarHBondContact CD-OE1 3.36Å; R62-E215 IonicContact CZ-OE1 3.48Å; R62-E215 IonicContact NE-OE1 3.3Å; R62-E215 PolarHBondContact NE-OE1 2.81Å; R62-E215 IonicContact NH2-OE1 3.88Å; R62-T254 PolarHBondContact NH2-O 2.82Å
63	V	93.7	Very high	87.6	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.229	C	C	.	.	S	Bend	trans	-93.3	166.8	175.1	-52.2	0	0	0	0	111.6	S48 R65 W207 G211 T212	S48-V63 PolarHBondContact O-N 2.91Å; V63-R65 PolarHBondContact O-N 3.45Å; V63-W207 HydrophobicContact CG1-CE3 3.49Å; V63-W207 VanDerWaalsContact CG1-CE3 3.49Å; V63-W207 HydrophobicContact CG1-CZ3 3.45Å; V63-W207 VanDerWaalsContact CG1-CZ3 3.45Å; V63-G211 CarbonylContact C-O 3.58Å; V63-T212 HydrophobicContact CG1-CG2 4.27Å
64	N	91.3	Very high	87.4	Confident	142 Å²	142	45.7 Å²	45.7	76%	0.759	25%	0.246	S	C	*	.	S	Bend	trans	55.3	36	-180	-57	-30.6	0	0	0	113.4	G211	N64-G211 PolarHBondContact N-O 3.14Å
65	R	88.6	Confident	87.3	Confident	73 Å²	73	50.2 Å²	50.2	28%	0.275	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-91.7	145.8	174.6	-65.6	-67.1	154	177.6	0.5	110.3	R62 V63 Y171 G211 L213	R62-R65 HydrophobicContact CB-CG 3.75Å; V63-R65 PolarHBondContact O-N 3.45Å; R65-Y171 HydrophobicContact CB-CE2 4.49Å; R65-Y171 WeakPolarHBondContact O-CE2 3.17Å; R65-Y171 PolarHBondContact O-OH 2.85Å; R65-Y171 VanDerWaalsContact O-OH 3.09Å; R65-G211 PolarHBondContact N-O 3.19Å; R65-L213 HydrophobicContact CB-CB 4.13Å; R65-L213 HydrophobicContact CG-CB 4.15Å
66	P	85.4	Confident	87.4	Confident	87 Å²	87	55.8 Å²	55.8	57%	0.565	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-67.1	152.5	170.9	29.8	-34.2	0	0	0	110.2
67	S	77.5	Confident	87.3	Confident	45 Å²	45	55.9 Å²	55.9	32%	0.315	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-56.7	141.6	172.8	177	0	0	0	0	110.7	S69 Y171	S67-S69 PolarHBondContact O-N 3.36Å; S67-Y171 VanDerWaalsContact CA-CZ 3.43Å; S67-Y171 PolarHBondContact N-OH 3.35Å
68	P	77.1	Confident	86.9	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.078	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-46.4	123.8	165.3	-31.8	37.3	0	0	0	112.6	V70 Y171 F261	P68-V70 VanDerWaalsContact C-N 3.35Å; P68-V70 HydrophobicContact CB-CG2 4.13Å; P68-V70 PolarHBondContact O-N 2.91Å; P68-V70 VanDerWaalsContact O-N 3.14Å; P68-Y171 HydrophobicContact CG-CG 4.18Å; P68-F261 HydrophobicContact CB-CD1 3.45Å; P68-F261 VanDerWaalsContact CB-CD1 3.45Å; P68-F261 HydrophobicContact CB-CE1 3.47Å; P68-F261 VanDerWaalsContact CB-CE1 3.47Å; P68-F261 HydrophobicContact CG-CD1 3.81Å; P68-F261 HydrophobicContact CG-CE1 3.71Å
69	S	71.6	Confident	86.6	Confident	66 Å²	66	62.6 Å²	62.6	46%	0.462	34%	0.341	S	S	.	.			trans	-85.6	82.8	171.2	-67.5	0	0	0	0	109	S67 N71 F261	S67-S69 PolarHBondContact O-N 3.36Å; S69-N71 PolarHBondContact O-N 2.99Å; S69-F261 PolarHBondContact N-O 3.03Å
70	V	71.7	Confident	86.4	Confident	41 Å²	41	66.2 Å²	66.2	25%	0.248	37%	0.367	C	S	.	.			trans	-88.9	89.5	170.9	-175.5	0	0	0	0	108	P68 C72 L138 A140 V161	P68-V70 VanDerWaalsContact C-N 3.35Å; P68-V70 HydrophobicContact CB-CG2 4.13Å; P68-V70 PolarHBondContact O-N 2.91Å; P68-V70 VanDerWaalsContact O-N 3.14Å; V70-C72 HydrophobicContact CG1-CB 3.95Å; V70-C72 VanDerWaalsContact CG1-SG 3.58Å; V70-C72 PolarHBondContact O-N 2.77Å; V70-L138 HydrophobicContact CG1-CD1 4.38Å; V70-A140 HydrophobicContact CB-CB 4.44Å; V70-A140 HydrophobicContact CG1-CB 3.75Å; V70-A140 HydrophobicContact CG2-CB 4.05Å; V70-V161 HydrophobicContact CG2-CG2 4.04Å
71	N	73.1	Confident	86.3	Confident	120 Å²	120	69.1 Å²	69.1	64%	0.642	38%	0.381	S	S	*	.			trans	-90.1	58.2	179	-169.8	26.6	0	0	0	111.4	S69 C266	S69-N71 PolarHBondContact O-N 2.99Å; N71-C266 WeakPolarHBondContact O-CB 3.49Å
72	C	77.6	Confident	86.3	Confident	19 Å²	19	75 Å²	75	13%	0.128	41%	0.406	C	S	.	.	S	Bend	trans	-117.5	158.5	-175.4	-54.4	0	0	0	0	109.9	V70 S74 S133 E135 C266	V70-C72 HydrophobicContact CG1-CB 3.95Å; V70-C72 VanDerWaalsContact CG1-SG 3.58Å; V70-C72 PolarHBondContact O-N 2.77Å; C72-S74 PolarHBondContact O-N 2.93Å; C72-S74 VanDerWaalsContact O-N 3.1Å; C72-S133 WeakPolarHBondContact CB-OG 3.34Å; C72-E135 HydrophobicContact CB-CG 4.42Å; C72-C266 HydrophobicContact CB-CB 3.85Å; C72-C266 WeakPolarHBondContact CB-SG 3.23Å; C72-C266 WeakPolarHBondContact SG-CB 3.43Å; C72-C266 CovalentContact SG-SG 2Å; C72-C266 PolarHBondContact SG-SG 3.17Å
73	K	85.6	Confident	86.4	Confident	162 Å²	162	75 Å²	75	70%	0.704	41%	0.408	S	S	*	.			trans	-66.3	115.6	174.1	-175.2	-176.4	175.1	-167.7	0	108
74	S	90.6	Very high	86.5	Confident	54 Å²	54	79.6 Å²	79.6	38%	0.378	43%	0.432	S	S	.	.			trans	-104.7	145.3	174.7	66.6	0	0	0	0	111.4	C72 E131 I132	C72-S74 PolarHBondContact O-N 2.93Å; C72-S74 VanDerWaalsContact O-N 3.1Å; S74-E131 PolarHBondContact OG-OE2 3.41Å; S74-I132 VanDerWaalsContact CA-O 3.31Å; S74-I132 WeakPolarHBondContact CA-O 3.36Å
75	E	91.7	Very high	86.8	Confident	106 Å²	106	74 Å²	74	50%	0.495	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.5	171.6	-70.6	179.4	-161.3	0	0	109.4	F77 E131 I132	E75-F77 HydrophobicContact CB-CD2 4.42Å; E75-F77 HydrophobicContact CB-CE2 3.47Å; E75-F77 VanDerWaalsContact CB-CE2 3.47Å; E75-F77 HydrophobicContact CB-CZ 3.68Å; E75-F77 VanDerWaalsContact O-CD2 3.32Å; E75-F77 WeakPolarHBondContact O-CD2 3.42Å; E75-F77 WeakPolarHBondContact O-CE2 3.25Å; E75-E131 CarbonylContact O-C 3.43Å; E75-E131 VanDerWaalsContact O-CA 3.28Å; E75-E131 WeakPolarHBondContact O-CA 3.42Å; E75-I132 PolarHBondContact N-O 2.98Å; E75-I132 PolarHBondContact O-N 3.27Å
76	K	92.6	Very high	87.1	Confident	149 Å²	149	76.2 Å²	76.2	65%	0.648	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.3	-178.8	-58.9	-163.9	173.7	-167.3	0	110.6	Y130 E131	K76-Y130 WeakPolarHBondContact CA-O 3.25Å; K76-E131 WeakPolarHBondContact CE-OE1 3.5Å; K76-E131 HydrophobicContact CG-CG 4.13Å; K76-E131 IonicContact NZ-OE1 3.47Å; K76-E131 PolarHBondContact NZ-OE1 3.03Å
77	F	90.5	Very high	87.6	Confident	46 Å²	46	72.8 Å²	72.8	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154	-179.7	-61.1	-84.5	0	0	0	111.8	E75 Q81 Y130 I132	E75-F77 HydrophobicContact CB-CD2 4.42Å; E75-F77 HydrophobicContact CB-CE2 3.47Å; E75-F77 VanDerWaalsContact CB-CE2 3.47Å; E75-F77 HydrophobicContact CB-CZ 3.68Å; E75-F77 VanDerWaalsContact O-CD2 3.32Å; E75-F77 WeakPolarHBondContact O-CD2 3.42Å; E75-F77 WeakPolarHBondContact O-CE2 3.25Å; F77-Q81 HydrophobicContact CB-CG 3.93Å; F77-Q81 HydrophobicContact CD1-CG 3.64Å; F77-Q81 HydrophobicContact CE1-CG 4.28Å; F77-Q81 HydrophobicContact CG-CG 3.78Å; F77-Y130 HydrophobicContact CB-CD2 3.98Å; F77-Y130 HydrophobicContact CB-CE2 3.46Å; F77-Y130 VanDerWaalsContact CB-CE2 3.46Å; F77-Y130 HydrophobicContact CD2-CD2 4.44Å; F77-Y130 HydrophobicContact CD2-CE2 4.21Å; F77-Y130 HydrophobicContact CG-CE2 4.12Å; F77-Y130 PolarHBondContact N-O 3Å; F77-Y130 PolarHBondContact O-N 3.27Å; F77-I132 HydrophobicContact CD2-CB 4.37Å; F77-I132 HydrophobicContact CD2-CD1 3.8Å; F77-I132 HydrophobicContact CD2-CG1 3.95Å; F77-I132 HydrophobicContact CE2-CB 4.06Å; F77-I132 HydrophobicContact CE2-CD1 3.9Å; F77-I132 HydrophobicContact CE2-CG1 4.09Å
78	V	87.7	Confident	88.4	Confident	104 Å²	104	76 Å²	76	63%	0.63	41%	0.411	S	S	*	.			trans	-130.6	134.3	169.1	-175.7	0	0	0	0	107.1	Q129	V78-Q129 HydrophobicContact CG2-CG 4.25Å
79	G	88.1	Confident	89.4	Confident	37 Å²	37	75.6 Å²	75.6	38%	0.381	41%	0.408	S	S	.	.	S	Bend	trans	101.6	-149.9	-179	0	0	0	0	0	112.7	Y130	G79-Y130 WeakPolarHBondContact O-CE1 3.34Å; G79-Y130 PolarHBondContact O-OH 3.49Å
80	S	92.2	Very high	90.5	Very high	87 Å²	87	77 Å²	77	61%	0.608	41%	0.406	S	S	*	.			trans	-101.2	144.1	176.5	-60.6	0	0	0	0	110.6	I101 D102	S80-I101 CarbonylContact C-O 3.6Å; S80-I101 WeakPolarHBondContact CA-O 3.17Å; S80-D102 WeakPolarHBondContact OG-CB 3.42Å
81	Q	94.8	Very high	91.7	Very high	65 Å²	65	75 Å²	75	30%	0.304	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.3	176.8	-72.1	-61	-21.5	0	0	111.4	F77 I101 Y130 I132	F77-Q81 HydrophobicContact CB-CG 3.93Å; F77-Q81 HydrophobicContact CD1-CG 3.64Å; F77-Q81 HydrophobicContact CE1-CG 4.28Å; F77-Q81 HydrophobicContact CG-CG 3.78Å; Q81-I101 PolarHBondContact N-O 3.28Å; Q81-I101 PolarHBondContact O-N 2.94Å; Q81-Y130 HydrophobicContact CB-CE2 4.27Å; Q81-Y130 WeakPolarHBondContact CB-OH 3.44Å; Q81-Y130 HydrophobicContact CG-CE2 4.04Å; Q81-Y130 WeakPolarHBondContact CG-OH 3.26Å; Q81-Y130 PolarHBondContact N-OH 2.96Å; Q81-I132 HydrophobicContact CB-CD1 4.44Å
82	K	96.5	Very high	92.6	Very high	127 Å²	127	69.6 Å²	69.6	55%	0.552	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.1	174.3	-63.3	-170.4	174.3	-160.2	0	108.7	R98 F99 D100	K82-R98 HydrophobicContact CB-CG 4.43Å; K82-F99 WeakPolarHBondContact CA-O 3.41Å; K82-D100 VanDerWaalsContact CE-OD2 3.24Å; K82-D100 WeakPolarHBondContact CE-OD2 3.48Å; K82-D100 WeakPolarHBondContact CG-OD1 3.2Å; K82-D100 IonicContact NZ-OD2 3.39Å; K82-D100 PolarHBondContact NZ-OD2 2.86Å
83	I	95.9	Very high	93.3	Very high	24 Å²	24	70.6 Å²	70.6	12%	0.123	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.6	-177	62.6	166.7	0	0	0	110.5	R98 F99 I101 I132 L139 I141	I83-R98 CarbonylContact O-C 3.59Å; I83-R98 WeakPolarHBondContact O-CA 3.07Å; I83-R98 WeakPolarHBondContact O-CG 3.47Å; I83-F99 HydrophobicContact CD1-CB 4.34Å; I83-F99 HydrophobicContact CD1-CD2 4.22Å; I83-F99 HydrophobicContact CG1-CB 3.78Å; I83-F99 HydrophobicContact CG1-CD2 3.99Å; I83-F99 HydrophobicContact CG1-CG 4.33Å; I83-F99 PolarHBondContact N-O 2.92Å; I83-F99 PolarHBondContact O-N 3.24Å; I83-I101 HydrophobicContact CD1-CD1 3.66Å; I83-I101 HydrophobicContact CG1-CD1 3.89Å; I83-I132 HydrophobicContact CD1-CG2 3.96Å; I83-I132 HydrophobicContact CG2-CD1 4.15Å; I83-L139 HydrophobicContact CD1-CD1 3.49Å; I83-L139 VanDerWaalsContact CD1-CD1 3.49Å; I83-L139 HydrophobicContact CD1-CD2 3.82Å; I83-L139 HydrophobicContact CD1-CG 4.29Å; I83-I141 HydrophobicContact CD1-CD1 4.43Å
84	N	97.2	Very high	93.7	Very high	106 Å²	106	64.7 Å²	64.7	57%	0.567	36%	0.357	S	S	*	.			trans	-95.9	132.8	170.6	-61.8	-9.3	0	0	0	108	R98 N134	N84-R98 WeakPolarHBondContact OD1-CG 3.45Å; N84-N134 PolarHBondContact O-ND2 3.29Å
85	P	95.9	Very high	93.9	Very high	25 Å²	25	66 Å²	66	16%	0.162	36%	0.36	C	S	.	.			trans	-60.4	143.4	174.8	18.8	-24.7	0	0	0	110.9	F87 F99	P85-F87 WeakPolarHBondContact CB-O 3.24Å; P85-F87 PolarHBondContact O-N 2.71Å; P85-F99 HydrophobicContact CB-CE2 3.73Å; P85-F99 HydrophobicContact CB-CZ 4.47Å; P85-F99 HydrophobicContact CG-CE2 3.76Å; P85-F99 HydrophobicContact CG-CZ 4.49Å
86	K	95.6	Very high	94.2	Very high	119 Å²	119	61.4 Å²	61.4	52%	0.517	34%	0.339	S	S	.	.	S	Bend	trans	-80.3	3.1	169.7	-68.8	-176.2	-175.8	164.2	0	113.6	N134 E135 E136	K86-N134 VanDerWaalsContact CD-O 3.26Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 WeakPolarHBondContact CE-O 3.36Å; K86-N134 PolarHBondContact N-OD1 3.04Å; K86-N134 PolarHBondContact NZ-O 3.13Å; K86-E135 IonicContact NZ-OE2 3.45Å; K86-E135 PolarHBondContact NZ-OE2 2.68Å; K86-E136 HydrophobicContact CB-CG 4.49Å
87	F	95.3	Very high	94.5	Very high	14 Å²	14	56.8 Å²	56.8	6%	0.061	33%	0.325	C	S	.	.	S	Bend	trans	-140.6	156.1	-179.5	55.9	-86.2	0	0	0	111.4	P85 F89 E135 E136 L139 P164	P85-F87 WeakPolarHBondContact CB-O 3.24Å; P85-F87 PolarHBondContact O-N 2.71Å; F87-F89 HydrophobicContact CD2-CB 4.12Å; F87-F89 HydrophobicContact CE2-CB 3.83Å; F87-F89 AromaticContact CE2-CD2 3.8Å; F87-F89 HydrophobicContact CE2-CD2 3.8Å; F87-F89 HydrophobicContact CE2-CG 4.14Å; F87-F89 PolarHBondContact O-N 3.5Å; F87-E135 VanDerWaalsContact CD1-O 3.23Å; F87-E135 WeakPolarHBondContact CD1-O 3.34Å; F87-E136 WeakPolarHBondContact CB-O 3.4Å; F87-L139 HydrophobicContact CE1-CB 3.97Å; F87-L139 HydrophobicContact CZ-CB 3.93Å; F87-P164 HydrophobicContact CB-CG 4.18Å; F87-P164 HydrophobicContact CD2-CB 3.88Å; F87-P164 HydrophobicContact CD2-CG 3.69Å; F87-P164 HydrophobicContact CE2-CG 4.2Å; F87-P164 HydrophobicContact CG-CB 4.43Å; F87-P164 HydrophobicContact CG-CG 3.92Å
88	P	95.4	Very high	94.8	Very high	114 Å²	114	57.6 Å²	57.6	74%	0.74	33%	0.327	S	S	*	.			trans	-62	123.3	171.1	-20.1	32.8	0	0	0	110.5
89	F	96.9	Very high	95.3	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.013	30%	0.297	C	S	.	.			trans	-129.9	139.2	178	-174.9	-107	0	0	0	110.6	F87 V91 V96 F99 F108 M162 L163 I168	F87-F89 HydrophobicContact CD2-CB 4.12Å; F87-F89 HydrophobicContact CE2-CB 3.83Å; F87-F89 AromaticContact CE2-CD2 3.8Å; F87-F89 HydrophobicContact CE2-CD2 3.8Å; F87-F89 HydrophobicContact CE2-CG 4.14Å; F87-F89 PolarHBondContact O-N 3.5Å; F89-V91 HydrophobicContact CE1-CB 4.23Å; F89-V96 HydrophobicContact CD1-CB 3.95Å; F89-V96 HydrophobicContact CD1-CG2 3.73Å; F89-V96 HydrophobicContact CE1-CG2 4.19Å; F89-V96 PolarHBondContact O-N 2.77Å; F89-F99 HydrophobicContact CD1-CE1 4.01Å; F89-F99 AromaticContact CD1-CZ 3.73Å; F89-F99 HydrophobicContact CD1-CZ 3.73Å; F89-F99 HydrophobicContact CE1-CE1 4.09Å; F89-F99 HydrophobicContact CE1-CZ 4.22Å; F89-F99 HydrophobicContact CG-CZ 4.3Å; F89-F108 HydrophobicContact CE1-CD1 4.39Å; F89-F108 HydrophobicContact CE1-CE1 4.19Å; F89-M162 HydrophobicContact CE1-SD 4.18Å; F89-M162 HydrophobicContact CE2-CB 3.93Å; F89-M162 HydrophobicContact CZ-CB 4.12Å; F89-M162 HydrophobicContact CZ-CG 4.31Å; F89-M162 HydrophobicContact CZ-SD 4.11Å; F89-L163 WeakPolarHBondContact CD2-O 3.42Å; F89-L163 WeakPolarHBondContact CE2-O 3.32Å; F89-I168 HydrophobicContact CZ-CD1 4.13Å; F89-I168 HydrophobicContact CZ-CG1 4Å
90	K	95.8	Very high	95.8	Very high	95 Å²	95	51.9 Å²	51.9	41%	0.413	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	176.4	-69.8	175.5	-179	-74.9	0	110.1	S94 D95	K90-S94 CarbonylContact C-O 3.57Å; K90-S94 WeakPolarHBondContact CA-O 3.32Å; K90-D95 WeakPolarHBondContact CE-OD1 3.38Å; K90-D95 VanDerWaalsContact CG-OD1 3.27Å; K90-D95 WeakPolarHBondContact CG-OD1 3.46Å; K90-D95 IonicContact NZ-OD1 2.96Å; K90-D95 PolarHBondContact NZ-OD1 3.04Å; K90-D95 IonicContact NZ-OD2 3.98Å; K90-D95 PolarHBondContact NZ-OD2 2.89Å
91	V	96	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.9	171.4	76.8	0	0	0	0	108.7	Y57 F89 G93 S94 V96 F108 L115 I168	Y57-V91 HydrophobicContact CE2-CG2 4.42Å; F89-V91 HydrophobicContact CE1-CB 4.23Å; V91-G93 PolarHBondContact O-N 3.22Å; V91-S94 PolarHBondContact N-O 3.44Å; V91-S94 PolarHBondContact O-N 2.96Å; V91-V96 HydrophobicContact CB-CG2 4.06Å; V91-V96 HydrophobicContact CG1-CG2 3.69Å; V91-F108 HydrophobicContact CB-CD2 4.25Å; V91-F108 HydrophobicContact CB-CG 4.31Å; V91-F108 HydrophobicContact CG1-CB 3.8Å; V91-F108 HydrophobicContact CG1-CD2 3.93Å; V91-F108 HydrophobicContact CG1-CG 3.88Å; V91-F108 HydrophobicContact CG2-CD2 3.8Å; V91-F108 HydrophobicContact CG2-CE2 3.77Å; V91-F108 HydrophobicContact CG2-CG 4.31Å; V91-F108 HydrophobicContact CG2-CZ 4.24Å; V91-L115 HydrophobicContact CG1-CB 3.91Å; V91-L115 HydrophobicContact CG1-CD1 4.2Å; V91-I168 HydrophobicContact CG2-CD1 4.47Å
92	F	93	Very high	95.7	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	34.3	-173	-62.6	-84.8	0	0	0	113.8	Y55 H56 Y57 S94 L185 S186 G187 I189 F199 I201	Y55-F92 AromaticContact CD1-CD1 3.82Å; Y55-F92 HydrophobicContact CD1-CD1 3.82Å; Y55-F92 HydrophobicContact CD1-CE1 4.33Å; Y55-F92 HydrophobicContact CE1-CD1 4.05Å; H56-F92 HydrophobicContact CB-CD1 3.73Å; H56-F92 HydrophobicContact CB-CE1 4.36Å; Y57-F92 HydrophobicContact CD2-CD1 4.08Å; Y57-F92 AromaticContact CD2-CE1 3.69Å; Y57-F92 HydrophobicContact CD2-CE1 3.69Å; Y57-F92 HydrophobicContact CD2-CE2 4.33Å; Y57-F92 AromaticContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CE2-CD1 4.17Å; Y57-F92 HydrophobicContact CE2-CD2 4.18Å; Y57-F92 HydrophobicContact CE2-CE1 4.08Å; Y57-F92 HydrophobicContact CE2-CE2 4.04Å; Y57-F92 HydrophobicContact CE2-CG 4.22Å; Y57-F92 HydrophobicContact CE2-CZ 4.01Å; F92-S94 VanDerWaalsContact C-N 3.29Å; F92-S94 PolarHBondContact O-N 3.03Å; F92-L185 HydrophobicContact CE2-CD1 4.23Å; F92-L185 HydrophobicContact CE2-CG 4.18Å; F92-L185 HydrophobicContact CZ-CD2 4.35Å; F92-L185 HydrophobicContact CZ-CG 4.15Å; F92-S186 VanDerWaalsContact CE2-O 3.31Å; F92-S186 WeakPolarHBondContact CE2-O 3.46Å; F92-G187 VanDerWaalsContact CE2-CA 3.43Å; F92-I189 HydrophobicContact CB-CG2 4.44Å; F92-F199 HydrophobicContact CE1-CB 4.3Å; F92-I201 HydrophobicContact CE1-CD1 4.36Å; F92-I201 HydrophobicContact CZ-CD1 4.22Å
93	G	91.3	Very high	95.3	Very high	39 Å²	39	43.4 Å²	43.4	40%	0.402	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-9.2	-178.6	0	0	0	0	0	115.5	H56 V91	H56-G93 PolarHBondContact NE2-N 3.09Å; V91-G93 PolarHBondContact O-N 3.22Å
94	S	94	Very high	94.9	Very high	38 Å²	38	47 Å²	47	27%	0.266	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.7	-177.4	-63.8	0	0	0	0	112.1	K90 V91 F92	K90-S94 CarbonylContact C-O 3.57Å; K90-S94 WeakPolarHBondContact CA-O 3.32Å; V91-S94 PolarHBondContact N-O 3.44Å; V91-S94 PolarHBondContact O-N 2.96Å; F92-S94 VanDerWaalsContact C-N 3.29Å; F92-S94 PolarHBondContact O-N 3.03Å
95	D	96.6	Very high	94.8	Very high	82 Å²	82	42 Å²	42	44%	0.439	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.6	179.9	-65.7	-64.1	0	0	0	112.1	K90 N110 L115	K90-D95 WeakPolarHBondContact CE-OD1 3.38Å; K90-D95 VanDerWaalsContact CG-OD1 3.27Å; K90-D95 WeakPolarHBondContact CG-OD1 3.46Å; K90-D95 IonicContact NZ-OD1 2.96Å; K90-D95 PolarHBondContact NZ-OD1 3.04Å; K90-D95 IonicContact NZ-OD2 3.98Å; K90-D95 PolarHBondContact NZ-OD2 2.89Å; D95-N110 WeakPolarHBondContact O-CB 3.42Å; D95-N110 PolarHBondContact O-ND2 2.87Å; D95-L115 WeakPolarHBondContact O-CD1 3.14Å
96	V	98	Very high	94.8	Very high	10 Å²	10	40.8 Å²	40.8	6%	0.061	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-95.5	117.8	176.9	-178.1	0	0	0	0	109.3	F89 V91 R98 F99 F108 L115	F89-V96 HydrophobicContact CD1-CB 3.95Å; F89-V96 HydrophobicContact CD1-CG2 3.73Å; F89-V96 HydrophobicContact CE1-CG2 4.19Å; F89-V96 PolarHBondContact O-N 2.77Å; V91-V96 HydrophobicContact CB-CG2 4.06Å; V91-V96 HydrophobicContact CG1-CG2 3.69Å; V96-R98 WeakPolarHBondContact CG1-O 2.95Å; V96-F99 HydrophobicContact CG1-CD1 4.23Å; V96-F99 HydrophobicContact CG1-CE1 3.91Å; V96-F99 HydrophobicContact CG1-CE2 4.34Å; V96-F99 HydrophobicContact CG1-CZ 3.97Å; V96-F108 HydrophobicContact CG1-CB 4.33Å; V96-F108 HydrophobicContact CG2-CB 4.03Å; V96-F108 HydrophobicContact CG2-CD1 4.43Å; V96-L115 HydrophobicContact CG2-CD1 4.14Å
97	S	97.5	Very high	94.9	Very high	51 Å²	51	38.8 Å²	38.8	36%	0.357	20%	0.203	S	C	.	.			trans	-87.5	-27.8	177.2	67.5	0	0	0	0	113.2	M109 N110 G111	S97-M109 PolarHBondContact N-O 3.31Å; S97-M109 PolarHBondContact OG-O 3.25Å; S97-N110 WeakPolarHBondContact OG-CA 3.29Å; S97-G111 PolarHBondContact OG-N 3.29Å
98	R	97.8	Very high	95.1	Very high	64 Å²	64	38.1 Å²	38.1	24%	0.242	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	150.2	-173.1	-170.2	175.1	82.5	-151.1	-4.7	110.6	K82 I83 N84 V96 D100 M109	K82-R98 HydrophobicContact CB-CG 4.43Å; I83-R98 CarbonylContact O-C 3.59Å; I83-R98 WeakPolarHBondContact O-CA 3.07Å; I83-R98 WeakPolarHBondContact O-CG 3.47Å; N84-R98 WeakPolarHBondContact OD1-CG 3.45Å; V96-R98 WeakPolarHBondContact CG1-O 2.95Å; R98-D100 IonicContact CZ-OD1 3.19Å; R98-D100 IonicContact CZ-OD2 3.01Å; R98-D100 IonicContact NE-OD1 2.63Å; R98-D100 PolarHBondContact NE-OD1 2.94Å; R98-D100 IonicContact NE-OD2 3.34Å; R98-D100 IonicContact NH2-OD1 2.68Å; R98-D100 PolarHBondContact NH2-OD1 3.45Å; R98-D100 IonicContact NH2-OD2 3.93Å; R98-D100 PolarHBondContact NH2-OD2 3.47Å; R98-M109 HydrophobicContact CB-CB 4.3Å; R98-M109 PolarHBondContact N-O 2.77Å; R98-M109 VanDerWaalsContact N-O 3.12Å; R98-M109 WeakPolarHBondContact O-CA 3.41Å; R98-M109 WeakPolarHBondContact O-CB 3.03Å; R98-M109 PolarHBondContact O-N 3.39Å
99	F	98	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.5	166.5	-52.3	-92.7	0	0	0	109.6	K82 I83 P85 F89 V96 I101 I106 R107 F108 L139 M162	K82-F99 WeakPolarHBondContact CA-O 3.41Å; I83-F99 HydrophobicContact CD1-CB 4.34Å; I83-F99 HydrophobicContact CD1-CD2 4.22Å; I83-F99 HydrophobicContact CG1-CB 3.78Å; I83-F99 HydrophobicContact CG1-CD2 3.99Å; I83-F99 HydrophobicContact CG1-CG 4.33Å; I83-F99 PolarHBondContact N-O 2.92Å; I83-F99 PolarHBondContact O-N 3.24Å; P85-F99 HydrophobicContact CB-CE2 3.73Å; P85-F99 HydrophobicContact CB-CZ 4.47Å; P85-F99 HydrophobicContact CG-CE2 3.76Å; P85-F99 HydrophobicContact CG-CZ 4.49Å; F89-F99 HydrophobicContact CD1-CE1 4.01Å; F89-F99 AromaticContact CD1-CZ 3.73Å; F89-F99 HydrophobicContact CD1-CZ 3.73Å; F89-F99 HydrophobicContact CE1-CE1 4.09Å; F89-F99 HydrophobicContact CE1-CZ 4.22Å; F89-F99 HydrophobicContact CG-CZ 4.3Å; V96-F99 HydrophobicContact CG1-CD1 4.23Å; V96-F99 HydrophobicContact CG1-CE1 3.91Å; V96-F99 HydrophobicContact CG1-CE2 4.34Å; V96-F99 HydrophobicContact CG1-CZ 3.97Å; F99-I101 HydrophobicContact CB-CG1 4.46Å; F99-I106 HydrophobicContact CB-CG2 4Å; F99-I106 HydrophobicContact CD1-CG2 3.77Å; F99-I106 HydrophobicContact CG-CG2 4.29Å; F99-R107 VanDerWaalsContact CA-O 3.29Å; F99-R107 WeakPolarHBondContact CA-O 3.29Å; F99-F108 AromaticContact CD1-CD1 3.57Å; F99-F108 HydrophobicContact CD1-CD1 3.57Å; F99-F108 AromaticContact CD1-CE1 3.88Å; F99-F108 HydrophobicContact CD1-CE1 3.88Å; F99-F108 AromaticContact CE1-CD1 3.47Å; F99-F108 HydrophobicContact CE1-CD1 3.47Å; F99-F108 VanDerWaalsContact CE1-CD1 3.47Å; F99-F108 AromaticContact CE1-CE1 3.64Å; F99-F108 HydrophobicContact CE1-CE1 3.64Å; F99-L139 HydrophobicContact CD1-CD2 4.32Å; F99-L139 HydrophobicContact CD2-CD2 3.66Å; F99-L139 HydrophobicContact CE1-CD2 4.17Å; F99-L139 HydrophobicContact CE2-CD2 3.48Å; F99-L139 VanDerWaalsContact CE2-CD2 3.48Å; F99-L139 HydrophobicContact CG-CD2 4.08Å; F99-L139 HydrophobicContact CZ-CD2 3.76Å; F99-M162 HydrophobicContact CD1-SD 4.24Å; F99-M162 HydrophobicContact CE1-CE 4.32Å; F99-M162 HydrophobicContact CE1-SD 3.48Å; F99-M162 WeakPolarHBondContact CE1-SD 3.42Å; F99-M162 HydrophobicContact CZ-SD 3.94Å
100	D	97.3	Very high	95.2	Very high	20 Å²	20	37 Å²	37	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.2	170.9	-72.9	14.6	0	0	0	107.2	K82 R98 R107 M109	K82-D100 VanDerWaalsContact CE-OD2 3.24Å; K82-D100 WeakPolarHBondContact CE-OD2 3.48Å; K82-D100 WeakPolarHBondContact CG-OD1 3.2Å; K82-D100 IonicContact NZ-OD2 3.39Å; K82-D100 PolarHBondContact NZ-OD2 2.86Å; R98-D100 IonicContact CZ-OD1 3.19Å; R98-D100 IonicContact CZ-OD2 3.01Å; R98-D100 IonicContact NE-OD1 2.63Å; R98-D100 PolarHBondContact NE-OD1 2.94Å; R98-D100 IonicContact NE-OD2 3.34Å; R98-D100 IonicContact NH2-OD1 2.68Å; R98-D100 PolarHBondContact NH2-OD1 3.45Å; R98-D100 IonicContact NH2-OD2 3.93Å; R98-D100 PolarHBondContact NH2-OD2 3.47Å; D100-R107 HydrophobicContact CB-CB 4.31Å; D100-R107 PolarHBondContact N-O 3.36Å; D100-R107 PolarHBondContact O-N 3.38Å; D100-M109 HydrophobicContact CB-CG 4.22Å
101	I	95.5	Very high	95.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.9	-174	-58.8	164.7	0	0	0	108.4	S80 Q81 I83 F99 G105 I106 Y130 I132 I141 F143	S80-I101 CarbonylContact C-O 3.6Å; S80-I101 WeakPolarHBondContact CA-O 3.17Å; Q81-I101 PolarHBondContact N-O 3.28Å; Q81-I101 PolarHBondContact O-N 2.94Å; I83-I101 HydrophobicContact CD1-CD1 3.66Å; I83-I101 HydrophobicContact CG1-CD1 3.89Å; F99-I101 HydrophobicContact CB-CG1 4.46Å; I101-G105 WeakPolarHBondContact CA-O 2.82Å; I101-I106 HydrophobicContact CG1-CG1 4.45Å; I101-I106 HydrophobicContact CG1-CG2 4.34Å; I101-Y130 HydrophobicContact CB-CE2 4.49Å; I101-Y130 HydrophobicContact CG2-CD2 4.08Å; I101-Y130 HydrophobicContact CG2-CE1 4.26Å; I101-Y130 HydrophobicContact CG2-CE2 3.71Å; I101-Y130 HydrophobicContact CG2-CG 4.49Å; I101-I132 HydrophobicContact CD1-CD1 3.43Å; I101-I132 VanDerWaalsContact CD1-CD1 3.43Å; I101-I132 HydrophobicContact CD1-CG1 4.23Å; I101-I141 HydrophobicContact CD1-CD1 3.5Å; I101-I141 VanDerWaalsContact CD1-CD1 3.5Å; I101-I141 HydrophobicContact CD1-CG1 4.34Å; I101-I141 HydrophobicContact CG1-CD1 4.09Å; I101-F143 HydrophobicContact CG2-CE1 4.07Å; I101-F143 HydrophobicContact CG2-CZ 3.82Å
102	D	91.1	Very high	95	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	23%	0.231	C	C	.	.			trans	-147.6	-165.3	173.4	69.9	25.1	0	0	0	112.1	S80 Y104 G105 R107 F143	S80-D102 WeakPolarHBondContact OG-CB 3.42Å; D102-Y104 PolarHBondContact O-N 3.48Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.11Å; D102-Y104 PolarHBondContact OD1-N 2.98Å; D102-G105 PolarHBondContact N-O 3.44Å; D102-G105 PolarHBondContact O-N 3.03Å; D102-R107 IonicContact OD2-CZ 2.96Å; D102-R107 VanDerWaalsContact OD2-CZ 3.27Å; D102-R107 IonicContact OD2-NH1 2.91Å; D102-R107 PolarHBondContact OD2-NH1 3.48Å; D102-R107 IonicContact OD2-NH2 2.71Å; D102-R107 PolarHBondContact OD2-NH2 2.96Å; D102-F143 WeakPolarHBondContact O-CE1 3.21Å
103	K	87.6	Confident	95.1	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	24%	0.243	S	C	.	.	S	Bend	trans	-64.5	-19	-176.6	67.4	177.1	-173.1	172.4	0	114.6	F127 P128	K103-F127 HydrophobicContact CD-CD1 4.32Å; K103-F127 HydrophobicContact CD-CE1 4.27Å; K103-P128 HydrophobicContact CB-CG 4.26Å
104	Y	87.8	Confident	95.3	Very high	101 Å²	101	45.6 Å²	45.6	40%	0.396	24%	0.244	S	C	.	.	S	Bend	trans	-92.5	-25.9	-179.6	-60	-66.1	0	0	0	111.9	D102 D119 N120	D102-Y104 PolarHBondContact O-N 3.48Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.11Å; D102-Y104 PolarHBondContact OD1-N 2.98Å; Y104-D119 WeakPolarHBondContact O-CA 3.31Å; Y104-N120 PolarHBondContact O-N 3.35Å
105	G	93.7	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-136.4	179.7	0	0	0	0	0	113.2	I101 D102 I118	I101-G105 WeakPolarHBondContact CA-O 2.82Å; D102-G105 PolarHBondContact N-O 3.44Å; D102-G105 PolarHBondContact O-N 3.03Å; G105-I118 CarbonylContact C-O 3.58Å; G105-I118 VanDerWaalsContact CA-O 3.32Å; G105-I118 WeakPolarHBondContact CA-O 3.48Å
106	I	97	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.8	-170.6	-52.7	159.1	0	0	0	108.7	F99 I101 F108 S117 I118 I141 F143 T160 M162	F99-I106 HydrophobicContact CB-CG2 4Å; F99-I106 HydrophobicContact CD1-CG2 3.77Å; F99-I106 HydrophobicContact CG-CG2 4.29Å; I101-I106 HydrophobicContact CG1-CG1 4.45Å; I101-I106 HydrophobicContact CG1-CG2 4.34Å; I106-F108 HydrophobicContact CG2-CE1 4.41Å; I106-S117 CarbonylContact O-C 3.54Å; I106-S117 WeakPolarHBondContact O-CA 3.35Å; I106-I118 PolarHBondContact N-O 2.93Å; I106-I118 PolarHBondContact O-N 3.18Å; I106-I141 HydrophobicContact CD1-CB 4.22Å; I106-I141 HydrophobicContact CD1-CD1 3.58Å; I106-I141 HydrophobicContact CD1-CG1 4.46Å; I106-I141 HydrophobicContact CG1-CD1 3.86Å; I106-I141 HydrophobicContact CG2-CD1 4.41Å; I106-F143 HydrophobicContact CD1-CE2 4.1Å; I106-F143 HydrophobicContact CG1-CE2 3.96Å; I106-F143 HydrophobicContact CG1-CZ 4.02Å; I106-T160 HydrophobicContact CD1-CG2 3.91Å; I106-M162 HydrophobicContact CD1-CE 3.69Å; I106-M162 HydrophobicContact CG2-CE 4.09Å
107	R	98	Very high	95.4	Very high	76 Å²	76	40.2 Å²	40.2	29%	0.287	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.9	172.4	-58.9	-177.2	-163.3	122.3	9.5	111.2	F99 D100 D102 M109 E114	F99-R107 VanDerWaalsContact CA-O 3.29Å; F99-R107 WeakPolarHBondContact CA-O 3.29Å; D100-R107 HydrophobicContact CB-CB 4.31Å; D100-R107 PolarHBondContact N-O 3.36Å; D100-R107 PolarHBondContact O-N 3.38Å; D102-R107 IonicContact OD2-CZ 2.96Å; D102-R107 VanDerWaalsContact OD2-CZ 3.27Å; D102-R107 IonicContact OD2-NH1 2.91Å; D102-R107 PolarHBondContact OD2-NH1 3.48Å; D102-R107 IonicContact OD2-NH2 2.71Å; D102-R107 PolarHBondContact OD2-NH2 2.96Å; R107-M109 HydrophobicContact CB-SD 4.16Å; R107-E114 WeakPolarHBondContact CD-OE1 3.49Å
108	F	98.2	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	176.6	-52.8	-61.3	0	0	0	110.1	F89 V91 V96 F99 I106 L115 G116 I118 M162 I168 L185	F89-F108 HydrophobicContact CE1-CD1 4.39Å; F89-F108 HydrophobicContact CE1-CE1 4.19Å; V91-F108 HydrophobicContact CB-CD2 4.25Å; V91-F108 HydrophobicContact CB-CG 4.31Å; V91-F108 HydrophobicContact CG1-CB 3.8Å; V91-F108 HydrophobicContact CG1-CD2 3.93Å; V91-F108 HydrophobicContact CG1-CG 3.88Å; V91-F108 HydrophobicContact CG2-CD2 3.8Å; V91-F108 HydrophobicContact CG2-CE2 3.77Å; V91-F108 HydrophobicContact CG2-CG 4.31Å; V91-F108 HydrophobicContact CG2-CZ 4.24Å; V96-F108 HydrophobicContact CG1-CB 4.33Å; V96-F108 HydrophobicContact CG2-CB 4.03Å; V96-F108 HydrophobicContact CG2-CD1 4.43Å; F99-F108 AromaticContact CD1-CD1 3.57Å; F99-F108 HydrophobicContact CD1-CD1 3.57Å; F99-F108 AromaticContact CD1-CE1 3.88Å; F99-F108 HydrophobicContact CD1-CE1 3.88Å; F99-F108 AromaticContact CE1-CD1 3.47Å; F99-F108 HydrophobicContact CE1-CD1 3.47Å; F99-F108 VanDerWaalsContact CE1-CD1 3.47Å; F99-F108 AromaticContact CE1-CE1 3.64Å; F99-F108 HydrophobicContact CE1-CE1 3.64Å; I106-F108 HydrophobicContact CG2-CE1 4.41Å; F108-L115 HydrophobicContact CB-CB 4.19Å; F108-L115 PolarHBondContact O-N 3.38Å; F108-G116 VanDerWaalsContact CD2-C 3.43Å; F108-G116 WeakPolarHBondContact CD2-O 3Å; F108-G116 PolarHBondContact N-O 2.94Å; F108-I118 HydrophobicContact CE2-CG1 4.1Å; F108-I118 HydrophobicContact CZ-CD1 3.75Å; F108-I118 HydrophobicContact CZ-CG1 3.72Å; F108-M162 HydrophobicContact CE1-CE 3.72Å; F108-M162 HydrophobicContact CE1-SD 3.92Å; F108-M162 HydrophobicContact CZ-CE 4.14Å; F108-I168 HydrophobicContact CZ-CD1 4.31Å; F108-L185 HydrophobicContact CE2-CD1 3.81Å; F108-L185 HydrophobicContact CZ-CD1 4.29Å
109	M	98	Very high	95.3	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.3	-175.2	-53.1	-57.8	-63.5	0	0	112.3	S97 R98 D100 R107 K113 E114	S97-M109 PolarHBondContact N-O 3.31Å; S97-M109 PolarHBondContact OG-O 3.25Å; R98-M109 HydrophobicContact CB-CB 4.3Å; R98-M109 PolarHBondContact N-O 2.77Å; R98-M109 VanDerWaalsContact N-O 3.12Å; R98-M109 WeakPolarHBondContact O-CA 3.41Å; R98-M109 WeakPolarHBondContact O-CB 3.03Å; R98-M109 PolarHBondContact O-N 3.39Å; D100-M109 HydrophobicContact CB-CG 4.22Å; R107-M109 HydrophobicContact CB-SD 4.16Å; M109-K113 WeakPolarHBondContact CA-O 3.28Å; M109-E114 HydrophobicContact CE-CB 4.08Å; M109-E114 HydrophobicContact SD-CB 3.91Å; M109-E114 HydrophobicContact SD-CG 4.02Å
110	N	96.8	Very high	95	Very high	78 Å²	78	36.8 Å²	36.8	42%	0.417	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	98.7	163.3	-170	-4.1	0	0	0	109.7	D95 S97 S112 K113 L115	D95-N110 WeakPolarHBondContact O-CB 3.42Å; D95-N110 PolarHBondContact O-ND2 2.87Å; S97-N110 WeakPolarHBondContact OG-CA 3.29Å; N110-S112 PolarHBondContact O-N 3.19Å; N110-S112 VanDerWaalsContact O-N 3.16Å; N110-K113 PolarHBondContact N-O 3.12Å; N110-K113 PolarHBondContact O-N 3.29Å; N110-L115 HydrophobicContact CB-CD1 3.86Å; N110-L115 HydrophobicContact CB-CD2 4.18Å; N110-L115 HydrophobicContact CB-CG 4.09Å
111	G	94.4	Very high	94.6	Very high	44 Å²	44	39.8 Å²	39.8	45%	0.454	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-114	-168.8	0	0	0	0	0	111.3	S97	S97-G111 PolarHBondContact OG-N 3.29Å
112	S	94.4	Very high	94.1	Very high	123 Å²	123	40.4 Å²	40.4	86%	0.86	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.7	174.1	54.6	0	0	0	0	114.2	N110	N110-S112 PolarHBondContact O-N 3.19Å; N110-S112 VanDerWaalsContact O-N 3.16Å
113	K	94.6	Very high	93.6	Very high	63 Å²	63	43.1 Å²	43.1	27%	0.274	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.4	-180	-174.5	171.9	-172.8	170.7	0	110	M109 N110 L115 E190 E196	M109-K113 WeakPolarHBondContact CA-O 3.28Å; N110-K113 PolarHBondContact N-O 3.12Å; N110-K113 PolarHBondContact O-N 3.29Å; K113-L115 HydrophobicContact CD-CD2 4.44Å; K113-L115 HydrophobicContact CG-CD2 4.41Å; K113-E190 IonicContact NZ-OE2 2.73Å; K113-E190 PolarHBondContact NZ-OE2 3.44Å; K113-E196 WeakPolarHBondContact CE-OE1 3.27Å; K113-E196 IonicContact NZ-OE1 3.61Å; K113-E196 PolarHBondContact NZ-OE1 3.13Å
114	E	95.7	Very high	93.3	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.421	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.2	168.1	-172.6	166.8	164.6	0	0	109.1	R107 M109	R107-E114 WeakPolarHBondContact CD-OE1 3.49Å; M109-E114 HydrophobicContact CE-CB 4.08Å; M109-E114 HydrophobicContact SD-CB 3.91Å; M109-E114 HydrophobicContact SD-CG 4.02Å
115	L	96.4	Very high	92.7	Very high	9 Å²	9	42 Å²	42	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-13.4	-179.7	-59.6	178.7	0	0	0	112.4	V91 D95 V96 F108 N110 K113 G187 S188	V91-L115 HydrophobicContact CG1-CB 3.91Å; V91-L115 HydrophobicContact CG1-CD1 4.2Å; D95-L115 WeakPolarHBondContact O-CD1 3.14Å; V96-L115 HydrophobicContact CG2-CD1 4.14Å; F108-L115 HydrophobicContact CB-CB 4.19Å; F108-L115 PolarHBondContact O-N 3.38Å; N110-L115 HydrophobicContact CB-CD1 3.86Å; N110-L115 HydrophobicContact CB-CD2 4.18Å; N110-L115 HydrophobicContact CB-CG 4.09Å; K113-L115 HydrophobicContact CD-CD2 4.44Å; K113-L115 HydrophobicContact CG-CD2 4.41Å; L115-G187 CarbonylContact O-C 3.49Å; L115-G187 WeakPolarHBondContact O-CA 3.3Å; L115-S188 PolarHBondContact O-N 3.35Å
116	G	96.7	Very high	91.7	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	-173.2	-173.9	0	0	0	0	0	111.8	F108 S186	F108-G116 VanDerWaalsContact CD2-C 3.43Å; F108-G116 WeakPolarHBondContact CD2-O 3Å; F108-G116 PolarHBondContact N-O 2.94Å; G116-S186 WeakPolarHBondContact CA-O 2.98Å
117	S	97.8	Very high	90.6	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.7	-176	56.6	0	0	0	0	112.6	I106 D119 L185 S186	I106-S117 CarbonylContact O-C 3.54Å; I106-S117 WeakPolarHBondContact O-CA 3.35Å; S117-D119 WeakPolarHBondContact CB-OD2 3.45Å; S117-D119 VanDerWaalsContact OG-CG 3.29Å; S117-D119 PolarHBondContact OG-OD2 2.89Å; S117-L185 CarbonylContact O-C 3.53Å; S117-L185 WeakPolarHBondContact O-CA 3.35Å; S117-S186 PolarHBondContact N-O 2.81Å; S117-S186 PolarHBondContact N-OG 2.87Å; S117-S186 PolarHBondContact O-N 3.28Å; S117-S186 PolarHBondContact OG-OG 2.03Å
118	I	97.7	Very high	89.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.9	154	-66.4	165.9	0	0	0	105.9	G105 I106 F108 T160 M162 I168 L184 L185	G105-I118 CarbonylContact C-O 3.58Å; G105-I118 VanDerWaalsContact CA-O 3.32Å; G105-I118 WeakPolarHBondContact CA-O 3.48Å; I106-I118 PolarHBondContact N-O 2.93Å; I106-I118 PolarHBondContact O-N 3.18Å; F108-I118 HydrophobicContact CE2-CG1 4.1Å; F108-I118 HydrophobicContact CZ-CD1 3.75Å; F108-I118 HydrophobicContact CZ-CG1 3.72Å; I118-T160 HydrophobicContact CD1-CG2 3.61Å; I118-M162 HydrophobicContact CD1-CE 3.67Å; I118-I168 HydrophobicContact CD1-CD1 4.41Å; I118-I168 HydrophobicContact CD1-CG2 3.55Å; I118-L184 WeakPolarHBondContact CA-O 3.28Å; I118-L185 HydrophobicContact CG1-CD1 3.76Å
119	D	95.1	Very high	89.3	Confident	39 Å²	39	54.6 Å²	54.6	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.1	-178.1	-64.5	-47.4	0	0	0	110.5	Y104 S117 S183 L184	Y104-D119 WeakPolarHBondContact O-CA 3.31Å; S117-D119 WeakPolarHBondContact CB-OD2 3.45Å; S117-D119 VanDerWaalsContact OG-CG 3.29Å; S117-D119 PolarHBondContact OG-OD2 2.89Å; D119-S183 WeakPolarHBondContact O-CA 3.4Å; D119-L184 HydrophobicContact CB-CD1 4.23Å; D119-L184 HydrophobicContact CB-CG 4.18Å; D119-L184 PolarHBondContact N-O 3Å; D119-L184 PolarHBondContact O-N 3.31Å; D119-L184 VanDerWaalsContact O-N 3.08Å
120	N	91.7	Very high	89	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	92.3	173.3	-70.1	-54	0	0	0	106.1	Y104 F145 T158 F181 E182 S183	Y104-N120 PolarHBondContact O-N 3.35Å; N120-F145 HydrophobicContact CB-CE2 4.3Å; N120-F145 HydrophobicContact CB-CZ 3.74Å; N120-T158 PolarHBondContact ND2-OG1 2.93Å; N120-F181 HydrophobicContact CB-CE2 3.84Å; N120-F181 HydrophobicContact CB-CZ 3.58Å; N120-F181 WeakPolarHBondContact OD1-CZ 3.42Å; N120-E182 CarbonylContact C-O 3.54Å; N120-E182 WeakPolarHBondContact CA-O 3.48Å; N120-S183 PolarHBondContact OD1-OG 2.97Å
121	H	87.6	Confident	88.9	Confident	82 Å²	82	51.4 Å²	51.4	38%	0.38	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.6	-174.5	-171.8	72.5	0	0	0	110.9	F181 E182	H121-F181 CarbonylContact O-C 3.53Å; H121-F181 WeakPolarHBondContact O-CA 3.41Å; H121-E182 HydrophobicContact CB-CB 4.42Å; H121-E182 PolarHBondContact N-O 2.51Å; H121-E182 PolarHBondContact O-N 3.4Å
122	S	84.8	Confident	88.9	Confident	15 Å²	15	49.9 Å²	49.9	11%	0.105	25%	0.254	C	S	.	.			trans	-151.4	136.4	164.7	176.2	0	0	0	0	108.6	Y124 V125 D180	S122-Y124 PolarHBondContact O-N 2.95Å; S122-Y124 VanDerWaalsContact O-N 3.16Å; S122-Y124 PolarHBondContact OG-N 2.7Å; S122-V125 PolarHBondContact O-N 3.05Å; S122-D180 WeakPolarHBondContact CA-O 3.32Å; S122-D180 WeakPolarHBondContact CB-O 3.38Å; S122-D180 PolarHBondContact OG-O 3.38Å
123	P	81.2	Confident	88.9	Confident	75 Å²	75	44.2 Å²	44.2	49%	0.487	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.2	176.6	25.6	-32.5	0	0	0	112.8	D180	P123-D180 HydrophobicContact CG-CB 4.47Å; P123-D180 WeakPolarHBondContact CG-OD2 3.27Å
124	Y	81.3	Confident	88.9	Confident	127 Å²	127	42.6 Å²	42.6	50%	0.498	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-1.9	-175.2	-53.7	-69.1	0	0	0	114.1	S122 Y148 D180	S122-Y124 PolarHBondContact O-N 2.95Å; S122-Y124 VanDerWaalsContact O-N 3.16Å; S122-Y124 PolarHBondContact OG-N 2.7Å; Y124-Y148 WeakPolarHBondContact O-CB 3.31Å; Y124-Y148 PolarHBondContact O-N 3.39Å; Y124-D180 HydrophobicContact CD2-CB 4.37Å; Y124-D180 HydrophobicContact CE2-CB 4.02Å
125	V	75.6	Confident	88.7	Confident	33 Å²	33	40.5 Å²	40.5	20%	0.2	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.6	-176.1	161.7	0	0	0	0	111.8	S122 F145 F156	S122-V125 PolarHBondContact O-N 3.05Å; V125-F145 HydrophobicContact CB-CD1 4.47Å; V125-F145 HydrophobicContact CG1-CB 4.19Å; V125-F145 HydrophobicContact CG1-CD1 3.32Å; V125-F145 HydrophobicContact CG1-CE1 4.04Å; V125-F145 HydrophobicContact CG1-CG 4.15Å; V125-F145 HydrophobicContact CG2-CB 4.17Å; V125-F145 HydrophobicContact CG2-CD1 4.35Å; V125-F156 HydrophobicContact CG2-CE1 3.99Å; V125-F156 HydrophobicContact CG2-CZ 3.78Å
126	I	73	Confident	88.5	Confident	67 Å²	67	47.2 Å²	47.2	34%	0.344	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.2	173.9	-48.4	173.3	0	0	0	109.8	Q146 Y148	I126-Q146 PolarHBondContact N-O 2.03Å; I126-Q146 VanDerWaalsContact N-O 3.17Å; I126-Y148 HydrophobicContact CD1-CD2 3.54Å; I126-Y148 HydrophobicContact CD1-CG 4.21Å; I126-Y148 HydrophobicContact CG1-CD2 4.06Å; I126-Y148 HydrophobicContact CG1-CG 4.49Å
127	F	73.2	Confident	88.2	Confident	147 Å²	147	49.8 Å²	49.8	65%	0.645	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	6.4	83.7	166.5	-66.1	-76.2	0	0	0	114.9	K103	K103-F127 HydrophobicContact CD-CD1 4.32Å; K103-F127 HydrophobicContact CD-CE1 4.27Å
128	P	80	Confident	88	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	147.1	-178	27.7	-34.5	0	0	0	110.9	K103 F143 S144 F145	K103-P128 HydrophobicContact CB-CG 4.26Å; P128-F143 HydrophobicContact CB-CD1 4.3Å; P128-F143 HydrophobicContact CG-CD1 4.08Å; P128-S144 WeakPolarHBondContact CA-O 3.38Å; P128-S144 VanDerWaalsContact CB-O 3.31Å; P128-S144 WeakPolarHBondContact CB-O 3.31Å; P128-F145 HydrophobicContact CB-CD1 3.55Å; P128-F145 HydrophobicContact CB-CE1 3.77Å; P128-F145 HydrophobicContact CB-CG 4.35Å; P128-F145 HydrophobicContact CG-CD1 3.91Å; P128-F145 HydrophobicContact CG-CE1 3.7Å
129	Q	89.3	Confident	87.9	Confident	120 Å²	120	49.6 Å²	49.6	56%	0.561	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.5	158.3	-61.6	-173	-15.8	0	0	107.8	V78 S144	V78-Q129 HydrophobicContact CG2-CG 4.25Å; Q129-S144 PolarHBondContact N-O 3.17Å; Q129-S144 PolarHBondContact O-N 2.99Å
130	Y	91.8	Very high	87.9	Confident	2 Å²	2	48 Å²	48	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.3	175.4	54.2	-91.3	0	0	0	112.5	K76 F77 G79 Q81 I101 I132 R142 F143	K76-Y130 WeakPolarHBondContact CA-O 3.25Å; F77-Y130 HydrophobicContact CB-CD2 3.98Å; F77-Y130 HydrophobicContact CB-CE2 3.46Å; F77-Y130 VanDerWaalsContact CB-CE2 3.46Å; F77-Y130 HydrophobicContact CD2-CD2 4.44Å; F77-Y130 HydrophobicContact CD2-CE2 4.21Å; F77-Y130 HydrophobicContact CG-CE2 4.12Å; F77-Y130 PolarHBondContact N-O 3Å; F77-Y130 PolarHBondContact O-N 3.27Å; G79-Y130 WeakPolarHBondContact O-CE1 3.34Å; G79-Y130 PolarHBondContact O-OH 3.49Å; Q81-Y130 HydrophobicContact CB-CE2 4.27Å; Q81-Y130 WeakPolarHBondContact CB-OH 3.44Å; Q81-Y130 HydrophobicContact CG-CE2 4.04Å; Q81-Y130 WeakPolarHBondContact CG-OH 3.26Å; Q81-Y130 PolarHBondContact N-OH 2.96Å; I101-Y130 HydrophobicContact CB-CE2 4.49Å; I101-Y130 HydrophobicContact CG2-CD2 4.08Å; I101-Y130 HydrophobicContact CG2-CE1 4.26Å; I101-Y130 HydrophobicContact CG2-CE2 3.71Å; I101-Y130 HydrophobicContact CG2-CG 4.49Å; Y130-I132 HydrophobicContact CD2-CD1 4.03Å; Y130-I132 HydrophobicContact CD2-CG1 3.89Å; Y130-I132 HydrophobicContact CE2-CD1 3.79Å; Y130-I132 HydrophobicContact CE2-CG1 4.19Å; Y130-R142 CarbonylContact C-O 3.58Å; Y130-R142 WeakPolarHBondContact CA-O 3.14Å; Y130-R142 WeakPolarHBondContact CB-O 3.41Å; Y130-F143 HydrophobicContact CD1-CD1 4.16Å; Y130-F143 AromaticContact CD1-CE1 4Å; Y130-F143 HydrophobicContact CD1-CE1 4Å; Y130-F143 HydrophobicContact CG-CD1 4.21Å; Y130-F143 HydrophobicContact CG-CE1 4.1Å
131	E	93.9	Very high	88.1	Confident	26 Å²	26	47.9 Å²	47.9	12%	0.121	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.5	179.3	-49.4	-170.5	174.7	0	0	109.2	S74 E75 K76 I141 R142	S74-E131 PolarHBondContact OG-OE2 3.41Å; E75-E131 CarbonylContact O-C 3.43Å; E75-E131 VanDerWaalsContact O-CA 3.28Å; E75-E131 WeakPolarHBondContact O-CA 3.42Å; K76-E131 WeakPolarHBondContact CE-OE1 3.5Å; K76-E131 HydrophobicContact CG-CG 4.13Å; K76-E131 IonicContact NZ-OE1 3.47Å; K76-E131 PolarHBondContact NZ-OE1 3.03Å; E131-I141 WeakPolarHBondContact O-CA 3.34Å; E131-R142 PolarHBondContact N-O 3.38Å; E131-R142 PolarHBondContact O-N 3.21Å; E131-R142 IonicContact OE1-NH2 3.19Å; E131-R142 PolarHBondContact OE1-NH2 2.81Å; E131-R142 IonicContact OE2-CZ 3.45Å; E131-R142 IonicContact OE2-NE 3.55Å; E131-R142 IonicContact OE2-NH2 2.68Å; E131-R142 PolarHBondContact OE2-NH2 3.35Å
132	I	94.2	Very high	88.4	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	-179.9	-55.6	177	0	0	0	109.1	S74 E75 F77 Q81 I83 I101 Y130 N134 L139 I141	S74-I132 VanDerWaalsContact CA-O 3.31Å; S74-I132 WeakPolarHBondContact CA-O 3.36Å; E75-I132 PolarHBondContact N-O 2.98Å; E75-I132 PolarHBondContact O-N 3.27Å; F77-I132 HydrophobicContact CD2-CB 4.37Å; F77-I132 HydrophobicContact CD2-CD1 3.8Å; F77-I132 HydrophobicContact CD2-CG1 3.95Å; F77-I132 HydrophobicContact CE2-CB 4.06Å; F77-I132 HydrophobicContact CE2-CD1 3.9Å; F77-I132 HydrophobicContact CE2-CG1 4.09Å; Q81-I132 HydrophobicContact CB-CD1 4.44Å; I83-I132 HydrophobicContact CD1-CG2 3.96Å; I83-I132 HydrophobicContact CG2-CD1 4.15Å; I101-I132 HydrophobicContact CD1-CD1 3.43Å; I101-I132 VanDerWaalsContact CD1-CD1 3.43Å; I101-I132 HydrophobicContact CD1-CG1 4.23Å; Y130-I132 HydrophobicContact CD2-CD1 4.03Å; Y130-I132 HydrophobicContact CD2-CG1 3.89Å; Y130-I132 HydrophobicContact CE2-CD1 3.79Å; Y130-I132 HydrophobicContact CE2-CG1 4.19Å; I132-N134 HydrophobicContact CG2-CB 4.34Å; I132-L139 HydrophobicContact CG2-CD1 3.98Å; I132-I141 HydrophobicContact CG1-CG1 4.33Å; I132-I141 HydrophobicContact CG1-CG2 4.5Å; I132-I141 HydrophobicContact CG2-CG1 4.39Å
133	S	94.3	Very high	88.8	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	105.4	166.3	169.2	0	0	0	0	108.5	C72 L139 A140	C72-S133 WeakPolarHBondContact CB-OG 3.34Å; S133-L139 WeakPolarHBondContact O-CA 3.34Å; S133-A140 PolarHBondContact N-O 3.12Å; S133-A140 PolarHBondContact O-N 2.95Å
134	N	94.6	Very high	89.3	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	103.8	-179	-178.6	19.6	0	0	0	109.3	N84 K86 I132 L139	N84-N134 PolarHBondContact O-ND2 3.29Å; K86-N134 VanDerWaalsContact CD-O 3.26Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 WeakPolarHBondContact CE-O 3.36Å; K86-N134 PolarHBondContact N-OD1 3.04Å; K86-N134 PolarHBondContact NZ-O 3.13Å; I132-N134 HydrophobicContact CG2-CB 4.34Å; N134-L139 HydrophobicContact CB-CD1 3.71Å
135	E	93.3	Very high	89.7	Confident	46 Å²	46	39.4 Å²	39.4	22%	0.215	19%	0.19	C	C	.	.			trans	-122.9	169.5	-174.2	-56.2	-59.9	171.2	0	0	111.2	C72 K86 F87 N137 L138	C72-E135 HydrophobicContact CB-CG 4.42Å; K86-E135 IonicContact NZ-OE2 3.45Å; K86-E135 PolarHBondContact NZ-OE2 2.68Å; F87-E135 VanDerWaalsContact CD1-O 3.23Å; F87-E135 WeakPolarHBondContact CD1-O 3.34Å; E135-N137 PolarHBondContact O-N 3.33Å; E135-L138 CarbonylContact C-O 3.52Å; E135-L138 HydrophobicContact CB-CG 4.41Å; E135-L138 PolarHBondContact N-O 3.24Å
136	E	92	Very high	90.1	Very high	150 Å²	150	41.8 Å²	41.8	70%	0.701	20%	0.198	S	C	*	.	S	Bend	trans	-67.1	-14.8	-176.4	-64.5	-175.6	170.4	0	0	114.1	K86 F87	K86-E136 HydrophobicContact CB-CG 4.49Å; F87-E136 WeakPolarHBondContact CB-O 3.4Å
137	N	90.3	Very high	90.5	Very high	58 Å²	58	39.7 Å²	39.7	31%	0.31	19%	0.188	S	C	.	.	S	Bend	trans	-125.3	-2.5	-175	53.9	13.8	0	0	0	113.9	E135 P164 S265	E135-N137 PolarHBondContact O-N 3.33Å; N137-P164 WeakPolarHBondContact O-CD 3.36Å; N137-S265 WeakPolarHBondContact ND2-CB 3.09Å; N137-S265 PolarHBondContact ND2-O 3.04Å; N137-S265 WeakPolarHBondContact OD1-CB 3.09Å
138	L	93.7	Very high	90.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.188	C	C	.	.			trans	-163.3	157.5	173.8	65.7	91.7	0	0	0	111.6	V70 E135 A140 M162 L163 V263 S265	V70-L138 HydrophobicContact CG1-CD1 4.38Å; E135-L138 CarbonylContact C-O 3.52Å; E135-L138 HydrophobicContact CB-CG 4.41Å; E135-L138 PolarHBondContact N-O 3.24Å; L138-A140 HydrophobicContact CD1-CB 3.86Å; L138-M162 VanDerWaalsContact CA-O 3.32Å; L138-M162 WeakPolarHBondContact CA-O 3.38Å; L138-L163 HydrophobicContact CB-CD2 3.9Å; L138-V263 HydrophobicContact CD2-CG1 3.18Å; L138-S265 WeakPolarHBondContact CD2-OG 3.39Å
139	L	94.8	Very high	90.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.9	160.1	173.5	67.4	0	0	0	107.9	I83 F87 F99 I132 S133 N134 I141 V161 M162	I83-L139 HydrophobicContact CD1-CD1 3.49Å; I83-L139 VanDerWaalsContact CD1-CD1 3.49Å; I83-L139 HydrophobicContact CD1-CD2 3.82Å; I83-L139 HydrophobicContact CD1-CG 4.29Å; F87-L139 HydrophobicContact CE1-CB 3.97Å; F87-L139 HydrophobicContact CZ-CB 3.93Å; F99-L139 HydrophobicContact CD1-CD2 4.32Å; F99-L139 HydrophobicContact CD2-CD2 3.66Å; F99-L139 HydrophobicContact CE1-CD2 4.17Å; F99-L139 HydrophobicContact CE2-CD2 3.48Å; F99-L139 VanDerWaalsContact CE2-CD2 3.48Å; F99-L139 HydrophobicContact CG-CD2 4.08Å; F99-L139 HydrophobicContact CZ-CD2 3.76Å; I132-L139 HydrophobicContact CG2-CD1 3.98Å; S133-L139 WeakPolarHBondContact O-CA 3.34Å; N134-L139 HydrophobicContact CB-CD1 3.71Å; L139-I141 HydrophobicContact CD1-CD1 4.5Å; L139-I141 HydrophobicContact CD1-CG1 4.33Å; L139-I141 HydrophobicContact CD2-CD1 4.13Å; L139-I141 HydrophobicContact CG-CD1 4.27Å; L139-I141 HydrophobicContact CG-CG1 4.3Å; L139-V161 CarbonylContact O-C 3.48Å; L139-V161 WeakPolarHBondContact O-CA 3.44Å; L139-M162 HydrophobicContact CB-CB 4.4Å; L139-M162 HydrophobicContact CD2-SD 4.09Å; L139-M162 PolarHBondContact N-O 3.48Å; L139-M162 PolarHBondContact O-N 2.99Å
140	A	95.3	Very high	89.7	Confident	6 Å²	6	39 Å²	39	5%	0.05	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.1	174.2	0	0	0	0	0	110.5	V70 S133 L138 T160 V161	V70-A140 HydrophobicContact CB-CB 4.44Å; V70-A140 HydrophobicContact CG1-CB 3.75Å; V70-A140 HydrophobicContact CG2-CB 4.05Å; S133-A140 PolarHBondContact N-O 3.12Å; S133-A140 PolarHBondContact O-N 2.95Å; L138-A140 HydrophobicContact CD1-CB 3.86Å; A140-T160 CarbonylContact C-O 3.57Å; A140-T160 VanDerWaalsContact CA-O 3.28Å; A140-T160 WeakPolarHBondContact CA-O 3.19Å; A140-V161 HydrophobicContact CB-CG2 4.09Å
141	I	95.2	Very high	88.9	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.3	178.7	-58.1	167.3	0	0	0	107.7	I83 I101 I106 E131 I132 L139 F143 T160	I83-I141 HydrophobicContact CD1-CD1 4.43Å; I101-I141 HydrophobicContact CD1-CD1 3.5Å; I101-I141 VanDerWaalsContact CD1-CD1 3.5Å; I101-I141 HydrophobicContact CD1-CG1 4.34Å; I101-I141 HydrophobicContact CG1-CD1 4.09Å; I106-I141 HydrophobicContact CD1-CB 4.22Å; I106-I141 HydrophobicContact CD1-CD1 3.58Å; I106-I141 HydrophobicContact CD1-CG1 4.46Å; I106-I141 HydrophobicContact CG1-CD1 3.86Å; I106-I141 HydrophobicContact CG2-CD1 4.41Å; E131-I141 WeakPolarHBondContact O-CA 3.34Å; I132-I141 HydrophobicContact CG1-CG1 4.33Å; I132-I141 HydrophobicContact CG1-CG2 4.5Å; I132-I141 HydrophobicContact CG2-CG1 4.39Å; L139-I141 HydrophobicContact CD1-CD1 4.5Å; L139-I141 HydrophobicContact CD1-CG1 4.33Å; L139-I141 HydrophobicContact CD2-CD1 4.13Å; L139-I141 HydrophobicContact CG-CD1 4.27Å; L139-I141 HydrophobicContact CG-CG1 4.3Å; I141-F143 HydrophobicContact CB-CE2 4.44Å; I141-F143 HydrophobicContact CG2-CD2 3.99Å; I141-F143 HydrophobicContact CG2-CE2 3.49Å; I141-F143 VanDerWaalsContact CG2-CE2 3.49Å; I141-F143 HydrophobicContact CG2-CZ 3.86Å; I141-T160 PolarHBondContact N-O 3.29Å; I141-T160 PolarHBondContact O-N 2.93Å
142	R	94.2	Very high	88.2	Confident	94 Å²	94	48.8 Å²	48.8	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.5	175.8	-179	170.5	67.2	-179.5	1.9	109.7	Y130 E131 T158 T159	Y130-R142 CarbonylContact C-O 3.58Å; Y130-R142 WeakPolarHBondContact CA-O 3.14Å; Y130-R142 WeakPolarHBondContact CB-O 3.41Å; E131-R142 PolarHBondContact N-O 3.38Å; E131-R142 PolarHBondContact O-N 3.21Å; E131-R142 IonicContact OE1-NH2 3.19Å; E131-R142 PolarHBondContact OE1-NH2 2.81Å; E131-R142 IonicContact OE2-CZ 3.45Å; E131-R142 IonicContact OE2-NE 3.55Å; E131-R142 IonicContact OE2-NH2 2.68Å; E131-R142 PolarHBondContact OE2-NH2 3.35Å; R142-T158 CarbonylContact C-O 3.52Å; R142-T158 WeakPolarHBondContact CA-O 3.47Å; R142-T159 HydrophobicContact CB-CG2 4.49Å
143	F	93.7	Very high	87.4	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.7	171.7	-67.4	-90	0	0	0	110.3	I101 D102 I106 P128 Y130 I141 F145 M157 T158	I101-F143 HydrophobicContact CG2-CE1 4.07Å; I101-F143 HydrophobicContact CG2-CZ 3.82Å; D102-F143 WeakPolarHBondContact O-CE1 3.21Å; I106-F143 HydrophobicContact CD1-CE2 4.1Å; I106-F143 HydrophobicContact CG1-CE2 3.96Å; I106-F143 HydrophobicContact CG1-CZ 4.02Å; P128-F143 HydrophobicContact CB-CD1 4.3Å; P128-F143 HydrophobicContact CG-CD1 4.08Å; Y130-F143 HydrophobicContact CD1-CD1 4.16Å; Y130-F143 AromaticContact CD1-CE1 4Å; Y130-F143 HydrophobicContact CD1-CE1 4Å; Y130-F143 HydrophobicContact CG-CD1 4.21Å; Y130-F143 HydrophobicContact CG-CE1 4.1Å; I141-F143 HydrophobicContact CB-CE2 4.44Å; I141-F143 HydrophobicContact CG2-CD2 3.99Å; I141-F143 HydrophobicContact CG2-CE2 3.49Å; I141-F143 VanDerWaalsContact CG2-CE2 3.49Å; I141-F143 HydrophobicContact CG2-CZ 3.86Å; F143-F145 HydrophobicContact CB-CD2 4.04Å; F143-F145 HydrophobicContact CB-CE1 4.19Å; F143-F145 HydrophobicContact CB-CE2 3.32Å; F143-F145 HydrophobicContact CB-CZ 3.43Å; F143-F145 VanDerWaalsContact CB-CZ 3.43Å; F143-F145 HydrophobicContact CD1-CE1 4.46Å; F143-F145 HydrophobicContact CD1-CZ 4.13Å; F143-F145 HydrophobicContact CG-CE2 4.16Å; F143-F145 AromaticContact CG-CZ 3.82Å; F143-F145 HydrophobicContact CG-CZ 3.82Å; F143-M157 CarbonylContact O-C 3.59Å; F143-M157 WeakPolarHBondContact O-CA 3.21Å; F143-M157 WeakPolarHBondContact O-CB 3.22Å; F143-T158 PolarHBondContact N-O 2.02Å; F143-T158 PolarHBondContact O-N 3.31Å
144	S	92.1	Very high	86.8	Confident	27 Å²	27	56.4 Å²	56.4	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109.5	171.3	-65.9	0	0	0	0	108.5	P128 Q129	P128-S144 WeakPolarHBondContact CA-O 3.38Å; P128-S144 VanDerWaalsContact CB-O 3.31Å; P128-S144 WeakPolarHBondContact CB-O 3.31Å; Q129-S144 PolarHBondContact N-O 3.17Å; Q129-S144 PolarHBondContact O-N 2.99Å
145	F	89.2	Confident	86.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.9	-175.4	-62.5	-75.4	0	0	0	110.8	N120 V125 P128 F143 I155 F156 T158 F181	N120-F145 HydrophobicContact CB-CE2 4.3Å; N120-F145 HydrophobicContact CB-CZ 3.74Å; V125-F145 HydrophobicContact CB-CD1 4.47Å; V125-F145 HydrophobicContact CG1-CB 4.19Å; V125-F145 HydrophobicContact CG1-CD1 3.32Å; V125-F145 HydrophobicContact CG1-CE1 4.04Å; V125-F145 HydrophobicContact CG1-CG 4.15Å; V125-F145 HydrophobicContact CG2-CB 4.17Å; V125-F145 HydrophobicContact CG2-CD1 4.35Å; P128-F145 HydrophobicContact CB-CD1 3.55Å; P128-F145 HydrophobicContact CB-CE1 3.77Å; P128-F145 HydrophobicContact CB-CG 4.35Å; P128-F145 HydrophobicContact CG-CD1 3.91Å; P128-F145 HydrophobicContact CG-CE1 3.7Å; F143-F145 HydrophobicContact CB-CD2 4.04Å; F143-F145 HydrophobicContact CB-CE1 4.19Å; F143-F145 HydrophobicContact CB-CE2 3.32Å; F143-F145 HydrophobicContact CB-CZ 3.43Å; F143-F145 VanDerWaalsContact CB-CZ 3.43Å; F143-F145 HydrophobicContact CD1-CE1 4.46Å; F143-F145 HydrophobicContact CD1-CZ 4.13Å; F143-F145 HydrophobicContact CG-CE2 4.16Å; F143-F145 AromaticContact CG-CZ 3.82Å; F143-F145 HydrophobicContact CG-CZ 3.82Å; F145-I155 WeakPolarHBondContact O-CA 3.32Å; F145-F156 HydrophobicContact CB-CD1 3.94Å; F145-F156 HydrophobicContact CB-CD2 4.14Å; F145-F156 HydrophobicContact CB-CE1 3.45Å; F145-F156 VanDerWaalsContact CB-CE1 3.45Å; F145-F156 HydrophobicContact CB-CE2 3.68Å; F145-F156 HydrophobicContact CB-CG 4.27Å; F145-F156 HydrophobicContact CB-CZ 3.31Å; F145-F156 AromaticContact CD2-CD2 3.88Å; F145-F156 HydrophobicContact CD2-CD2 3.88Å; F145-F156 AromaticContact CD2-CE2 3.34Å; F145-F156 HydrophobicContact CD2-CE2 3.34Å; F145-F156 AromaticContact CD2-CZ 3.83Å; F145-F156 HydrophobicContact CD2-CZ 3.83Å; F145-F156 HydrophobicContact CE2-CE2 4.18Å; F145-F156 HydrophobicContact CG-CD2 4.43Å; F145-F156 HydrophobicContact CG-CE1 4.34Å; F145-F156 AromaticContact CG-CE2 3.74Å; F145-F156 HydrophobicContact CG-CE2 3.74Å; F145-F156 AromaticContact CG-CZ 3.7Å; F145-F156 HydrophobicContact CG-CZ 3.7Å; F145-F156 PolarHBondContact N-O 3.3Å; F145-F156 PolarHBondContact O-N 2.95Å; F145-T158 HydrophobicContact CD2-CG2 4.38Å; F145-T158 HydrophobicContact CE2-CG2 3.84Å; F145-T158 WeakPolarHBondContact CE2-OG1 3.25Å; F145-F181 HydrophobicContact CE2-CE2 4.4Å
146	Q	85.2	Confident	86.3	Confident	82 Å²	82	56.9 Å²	56.9	38%	0.383	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.1	170.8	-171.3	177.7	5.9	0	0	109.3	I126 N153	I126-Q146 PolarHBondContact N-O 2.03Å; I126-Q146 VanDerWaalsContact N-O 3.17Å; Q146-N153 PolarHBondContact NE2-OD1 3.24Å
147	I	80.1	Confident	86.3	Confident	24 Å²	24	51.5 Å²	51.5	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.7	179.6	-58.9	156.7	0	0	0	109.3	G149 D150 F156 L179	I147-G149 PolarHBondContact O-N 2.69Å; I147-D150 HydrophobicContact CB-CB 4.06Å; I147-D150 HydrophobicContact CG2-CB 4.3Å; I147-D150 PolarHBondContact O-N 3.37Å; I147-F156 HydrophobicContact CD1-CD1 4.18Å; I147-F156 HydrophobicContact CD1-CE1 4.32Å; I147-F156 HydrophobicContact CG1-CD1 4.14Å; I147-F156 HydrophobicContact CG1-CE1 3.88Å; I147-L179 HydrophobicContact CD1-CD1 3.75Å; I147-L179 HydrophobicContact CD1-CD2 3.44Å; I147-L179 VanDerWaalsContact CD1-CD2 3.44Å; I147-L179 HydrophobicContact CD1-CG 4.26Å; I147-L179 HydrophobicContact CG1-CD1 4.47Å; I147-L179 HydrophobicContact CG1-CD2 4.25Å
148	Y	78.3	Confident	86.5	Confident	167 Å²	167	48.8 Å²	48.8	66%	0.655	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	128.8	173.7	-178.3	-88.7	0	0	0	110.5	Y124 I126 D150	Y124-Y148 WeakPolarHBondContact O-CB 3.31Å; Y124-Y148 PolarHBondContact O-N 3.39Å; I126-Y148 HydrophobicContact CD1-CD2 3.54Å; I126-Y148 HydrophobicContact CD1-CG 4.21Å; I126-Y148 HydrophobicContact CG1-CD2 4.06Å; I126-Y148 HydrophobicContact CG1-CG 4.49Å; Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.37Å
149	G	75.6	Confident	86.6	Confident	74 Å²	74	49.3 Å²	49.3	76%	0.763	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0	177	0	0	0	0	0	115	I147 S151	I147-G149 PolarHBondContact O-N 2.69Å; G149-S151 PolarHBondContact O-N 3.17Å
150	D	73	Confident	86.6	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.091	26%	0.264	C	S	.	.			trans	-71.6	110.2	171	-177	11.6	0	0	0	110.2	I147 Y148 L152 N153 R154	I147-D150 HydrophobicContact CB-CB 4.06Å; I147-D150 HydrophobicContact CG2-CB 4.3Å; I147-D150 PolarHBondContact O-N 3.37Å; Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.37Å; D150-L152 PolarHBondContact O-N 3.34Å; D150-L152 WeakPolarHBondContact OD1-CB 3.42Å; D150-L152 PolarHBondContact OD1-N 3.45Å; D150-N153 PolarHBondContact O-N 3.35Å; D150-N153 PolarHBondContact O-OD1 3.22Å; D150-R154 IonicContact OD1-CZ 3.66Å; D150-R154 IonicContact OD1-NE 3.48Å; D150-R154 PolarHBondContact OD1-NE 3.06Å; D150-R154 IonicContact OD1-NH2 3.5Å; D150-R154 WeakPolarHBondContact OD2-CB 3.44Å; D150-R154 WeakPolarHBondContact OD2-CG 3.37Å; D150-R154 IonicContact OD2-CZ 3.57Å; D150-R154 PolarHBondContact OD2-N 3.34Å; D150-R154 IonicContact OD2-NE 2.78Å; D150-R154 PolarHBondContact OD2-NE 3.09Å; D150-R154 IonicContact OD2-NH2 3.63Å
151	S	74.6	Confident	86.7	Confident	116 Å²	116	49 Å²	49	81%	0.811	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.3	179	61.3	0	0	0	0	113	G149 N153	G149-S151 PolarHBondContact O-N 3.17Å; S151-N153 VanDerWaalsContact C-N 3.35Å
152	L	78.6	Confident	86.7	Confident	117 Å²	117	49 Å²	49	61%	0.613	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6	177.3	-62.1	177.7	0	0	0	112.8	D150 R154	D150-L152 PolarHBondContact O-N 3.34Å; D150-L152 WeakPolarHBondContact OD1-CB 3.42Å; D150-L152 PolarHBondContact OD1-N 3.45Å; L152-R154 HydrophobicContact CB-CG 3.82Å; L152-R154 PolarHBondContact O-N 2.89Å
153	N	77.1	Confident	86.7	Confident	99 Å²	99	46.1 Å²	46.1	53%	0.529	25%	0.253	S	S	.	.			trans	47.5	42.8	-173.5	-72.1	-31.5	0	0	0	112.4	Q146 D150 S151	Q146-N153 PolarHBondContact NE2-OD1 3.24Å; D150-N153 PolarHBondContact O-N 3.35Å; D150-N153 PolarHBondContact O-OD1 3.22Å; S151-N153 VanDerWaalsContact C-N 3.35Å
154	R	82.5	Confident	86.7	Confident	75 Å²	75	49 Å²	49	28%	0.283	27%	0.272	S	S	.	.			trans	-65.8	144.6	180	-65.1	167.8	-67.8	-165.7	14.2	109.8	D150 L152 E177	D150-R154 IonicContact OD1-CZ 3.66Å; D150-R154 IonicContact OD1-NE 3.48Å; D150-R154 PolarHBondContact OD1-NE 3.06Å; D150-R154 IonicContact OD1-NH2 3.5Å; D150-R154 WeakPolarHBondContact OD2-CB 3.44Å; D150-R154 WeakPolarHBondContact OD2-CG 3.37Å; D150-R154 IonicContact OD2-CZ 3.57Å; D150-R154 PolarHBondContact OD2-N 3.34Å; D150-R154 IonicContact OD2-NE 2.78Å; D150-R154 PolarHBondContact OD2-NE 3.09Å; D150-R154 IonicContact OD2-NH2 3.63Å; L152-R154 HydrophobicContact CB-CG 3.82Å; L152-R154 PolarHBondContact O-N 2.89Å; R154-E177 IonicContact CZ-OE1 3.3Å; R154-E177 VanDerWaalsContact CZ-OE1 3.3Å; R154-E177 IonicContact CZ-OE2 3.77Å; R154-E177 IonicContact NH1-OE1 2.71Å; R154-E177 PolarHBondContact NH1-OE1 2.71Å; R154-E177 IonicContact NH1-OE2 3.93Å; R154-E177 VanDerWaalsContact NH2-CD 3.33Å; R154-E177 IonicContact NH2-OE1 3.13Å; R154-E177 PolarHBondContact NH2-OE1 3.2Å; R154-E177 VanDerWaalsContact NH2-OE1 3.13Å; R154-E177 IonicContact NH2-OE2 2.95Å; R154-E177 PolarHBondContact NH2-OE2 2.86Å
155	I	88.1	Confident	86.7	Confident	82 Å²	82	51.9 Å²	51.9	42%	0.421	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.5	178.8	-60.8	172.1	0	0	0	107.4	F145 M157 N174	F145-I155 WeakPolarHBondContact O-CA 3.32Å; I155-M157 HydrophobicContact CG2-CG 4.38Å; I155-N174 WeakPolarHBondContact O-CB 3.35Å
156	F	89.5	Confident	86.9	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	155.9	166	71.3	-89.1	0	0	0	109.4	V125 F145 I147 I175 L179 F181	V125-F156 HydrophobicContact CG2-CE1 3.99Å; V125-F156 HydrophobicContact CG2-CZ 3.78Å; F145-F156 HydrophobicContact CB-CD1 3.94Å; F145-F156 HydrophobicContact CB-CD2 4.14Å; F145-F156 HydrophobicContact CB-CE1 3.45Å; F145-F156 VanDerWaalsContact CB-CE1 3.45Å; F145-F156 HydrophobicContact CB-CE2 3.68Å; F145-F156 HydrophobicContact CB-CG 4.27Å; F145-F156 HydrophobicContact CB-CZ 3.31Å; F145-F156 AromaticContact CD2-CD2 3.88Å; F145-F156 HydrophobicContact CD2-CD2 3.88Å; F145-F156 AromaticContact CD2-CE2 3.34Å; F145-F156 HydrophobicContact CD2-CE2 3.34Å; F145-F156 AromaticContact CD2-CZ 3.83Å; F145-F156 HydrophobicContact CD2-CZ 3.83Å; F145-F156 HydrophobicContact CE2-CE2 4.18Å; F145-F156 HydrophobicContact CG-CD2 4.43Å; F145-F156 HydrophobicContact CG-CE1 4.34Å; F145-F156 AromaticContact CG-CE2 3.74Å; F145-F156 HydrophobicContact CG-CE2 3.74Å; F145-F156 AromaticContact CG-CZ 3.7Å; F145-F156 HydrophobicContact CG-CZ 3.7Å; F145-F156 PolarHBondContact N-O 3.3Å; F145-F156 PolarHBondContact O-N 2.95Å; I147-F156 HydrophobicContact CD1-CD1 4.18Å; I147-F156 HydrophobicContact CD1-CE1 4.32Å; I147-F156 HydrophobicContact CG1-CD1 4.14Å; I147-F156 HydrophobicContact CG1-CE1 3.88Å; F156-I175 HydrophobicContact CB-CG1 3.95Å; F156-I175 HydrophobicContact CD2-CD1 4.45Å; F156-I175 HydrophobicContact CD2-CG1 4.18Å; F156-I175 HydrophobicContact CG-CG1 4.34Å; F156-L179 HydrophobicContact CD1-CD1 3.77Å; F156-L179 HydrophobicContact CE1-CD1 3.88Å; F156-L179 HydrophobicContact CG-CD1 4.31Å; F156-F181 AromaticContact CE2-CD2 3.7Å; F156-F181 HydrophobicContact CE2-CD2 3.7Å; F156-F181 AromaticContact CE2-CE2 3.47Å; F156-F181 HydrophobicContact CE2-CE2 3.47Å; F156-F181 VanDerWaalsContact CE2-CE2 3.47Å; F156-F181 HydrophobicContact CE2-CG 4.37Å; F156-F181 AromaticContact CE2-CZ 3.96Å; F156-F181 HydrophobicContact CE2-CZ 3.96Å; F156-F181 AromaticContact CZ-CD2 3.64Å; F156-F181 HydrophobicContact CZ-CD2 3.64Å; F156-F181 AromaticContact CZ-CE2 3.75Å; F156-F181 HydrophobicContact CZ-CE2 3.75Å; F156-F181 HydrophobicContact CZ-CG 4.48Å
157	M	92.1	Very high	87.4	Confident	38 Å²	38	49 Å²	49	19%	0.187	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.8	-174.9	-54.5	178	-139.4	0	0	111.4	F143 I155 D173	F143-M157 CarbonylContact O-C 3.59Å; F143-M157 WeakPolarHBondContact O-CA 3.21Å; F143-M157 WeakPolarHBondContact O-CB 3.22Å; I155-M157 HydrophobicContact CG2-CG 4.38Å; M157-D173 HydrophobicContact CB-CB 4.25Å; M157-D173 PolarHBondContact N-O 3.06Å; M157-D173 PolarHBondContact O-N 3.42Å
158	T	93.9	Very high	88.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.3	162.9	71.4	0	0	0	0	109.3	N120 R142 F143 F145 Y171 Y172 F181	N120-T158 PolarHBondContact ND2-OG1 2.93Å; R142-T158 CarbonylContact C-O 3.52Å; R142-T158 WeakPolarHBondContact CA-O 3.47Å; F143-T158 PolarHBondContact N-O 2.02Å; F143-T158 PolarHBondContact O-N 3.31Å; F145-T158 HydrophobicContact CD2-CG2 4.38Å; F145-T158 HydrophobicContact CE2-CG2 3.84Å; F145-T158 WeakPolarHBondContact CE2-OG1 3.25Å; T158-Y171 CarbonylContact C-O 3.56Å; T158-Y171 WeakPolarHBondContact CA-O 3.32Å; T158-Y172 HydrophobicContact CG2-CD1 3.79Å; T158-Y172 HydrophobicContact CG2-CE1 4.04Å; T158-F181 HydrophobicContact CG2-CE1 4.24Å; T158-F181 HydrophobicContact CG2-CZ 3.75Å
159	T	95.1	Very high	89	Confident	11 Å²	11	40.9 Å²	40.9	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.3	175.5	-57.8	0	0	0	0	108.6	R142 V161 V170 Y171	R142-T159 HydrophobicContact CB-CG2 4.49Å; T159-V161 HydrophobicContact CG2-CG2 4.15Å; T159-V170 CarbonylContact O-C 3.54Å; T159-V170 WeakPolarHBondContact O-CA 3.38Å; T159-Y171 PolarHBondContact N-O 3.3Å; T159-Y171 PolarHBondContact O-N 3.23Å
160	T	96.2	Very high	90	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.7	173.2	-59.4	0	0	0	0	109.3	I106 I118 A140 I141 M162 I168 Y169 V170	I106-T160 HydrophobicContact CD1-CG2 3.91Å; I118-T160 HydrophobicContact CD1-CG2 3.61Å; A140-T160 CarbonylContact C-O 3.57Å; A140-T160 VanDerWaalsContact CA-O 3.28Å; A140-T160 WeakPolarHBondContact CA-O 3.19Å; I141-T160 PolarHBondContact N-O 3.29Å; I141-T160 PolarHBondContact O-N 2.93Å; T160-M162 HydrophobicContact CG2-CE 3.6Å; T160-M162 HydrophobicContact CG2-CG 4.26Å; T160-I168 HydrophobicContact CG2-CG2 4.1Å; T160-Y169 CarbonylContact C-O 3.42Å; T160-Y169 VanDerWaalsContact CA-O 3.22Å; T160-Y169 WeakPolarHBondContact CA-O 3.37Å; T160-V170 HydrophobicContact CG2-CG2 4.47Å
161	V	95.6	Very high	91.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.9	174	-176.4	0	0	0	0	109	V70 L139 A140 T159 L163 I168 Y169 F261	V70-V161 HydrophobicContact CG2-CG2 4.04Å; L139-V161 CarbonylContact O-C 3.48Å; L139-V161 WeakPolarHBondContact O-CA 3.44Å; A140-V161 HydrophobicContact CB-CG2 4.09Å; T159-V161 HydrophobicContact CG2-CG2 4.15Å; V161-L163 HydrophobicContact CG1-CD2 4.18Å; V161-I168 CarbonylContact O-C 3.58Å; V161-I168 WeakPolarHBondContact O-CA 3.48Å; V161-Y169 PolarHBondContact N-O 2.81Å; V161-Y169 PolarHBondContact O-N 2.94Å; V161-F261 HydrophobicContact CB-CZ 4.32Å; V161-F261 HydrophobicContact CG1-CZ 4.42Å; V161-F261 HydrophobicContact CG2-CE1 4.23Å; V161-F261 HydrophobicContact CG2-CZ 4.49Å
162	M	96	Very high	92.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.6	178.6	-55.3	176.5	-167.4	0	0	109.4	F89 F99 I106 F108 I118 L138 L139 T160 I168	F89-M162 HydrophobicContact CE1-SD 4.18Å; F89-M162 HydrophobicContact CE2-CB 3.93Å; F89-M162 HydrophobicContact CZ-CB 4.12Å; F89-M162 HydrophobicContact CZ-CG 4.31Å; F89-M162 HydrophobicContact CZ-SD 4.11Å; F99-M162 HydrophobicContact CD1-SD 4.24Å; F99-M162 HydrophobicContact CE1-CE 4.32Å; F99-M162 HydrophobicContact CE1-SD 3.48Å; F99-M162 WeakPolarHBondContact CE1-SD 3.42Å; F99-M162 HydrophobicContact CZ-SD 3.94Å; I106-M162 HydrophobicContact CD1-CE 3.69Å; I106-M162 HydrophobicContact CG2-CE 4.09Å; F108-M162 HydrophobicContact CE1-CE 3.72Å; F108-M162 HydrophobicContact CE1-SD 3.92Å; F108-M162 HydrophobicContact CZ-CE 4.14Å; I118-M162 HydrophobicContact CD1-CE 3.67Å; L138-M162 VanDerWaalsContact CA-O 3.32Å; L138-M162 WeakPolarHBondContact CA-O 3.38Å; L139-M162 HydrophobicContact CB-CB 4.4Å; L139-M162 HydrophobicContact CD2-SD 4.09Å; L139-M162 PolarHBondContact N-O 3.48Å; L139-M162 PolarHBondContact O-N 2.99Å; T160-M162 HydrophobicContact CG2-CE 3.6Å; T160-M162 HydrophobicContact CG2-CG 4.26Å; M162-I168 HydrophobicContact CG-CG1 4.3Å; M162-I168 HydrophobicContact CG-CG2 4.41Å
163	L	94.4	Very high	92.8	Very high	32 Å²	32	27.9 Å²	27.9	17%	0.168	14%	0.144	C	C	.	.			trans	-114.1	156.3	-178.1	-60.1	-175.7	0	0	0	111.6	F89 L138 V161 N165 G166 N167 Y169	F89-L163 WeakPolarHBondContact CD2-O 3.42Å; F89-L163 WeakPolarHBondContact CE2-O 3.32Å; L138-L163 HydrophobicContact CB-CD2 3.9Å; V161-L163 HydrophobicContact CG1-CD2 4.18Å; L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 3.01Å; L163-N165 VanDerWaalsContact O-N 3.08Å; L163-G166 PolarHBondContact O-N 3.44Å; L163-N167 PolarHBondContact N-O 2.94Å; L163-Y169 HydrophobicContact CD1-CD2 4.46Å; L163-Y169 HydrophobicContact CD1-CE2 3.62Å; L163-Y169 HydrophobicContact CG-CE2 4.07Å
164	P	93.9	Very high	93.4	Very high	61 Å²	61	27.1 Å²	27.1	40%	0.396	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.4	179	-26.5	32	0	0	0	115.2	F87 N137 G166	F87-P164 HydrophobicContact CB-CG 4.18Å; F87-P164 HydrophobicContact CD2-CB 3.88Å; F87-P164 HydrophobicContact CD2-CG 3.69Å; F87-P164 HydrophobicContact CE2-CG 4.2Å; F87-P164 HydrophobicContact CG-CB 4.43Å; F87-P164 HydrophobicContact CG-CG 3.92Å; N137-P164 WeakPolarHBondContact O-CD 3.36Å; P164-G166 PolarHBondContact O-N 2.96Å
165	N	91.9	Very high	93.6	Very high	88 Å²	88	24.3 Å²	24.3	47%	0.471	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.4	176.1	67.3	-1.4	0	0	0	113.7	L163 N167	L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 3.01Å; L163-N165 VanDerWaalsContact O-N 3.08Å; N165-N167 PolarHBondContact ND2-ND2 3.27Å; N165-N167 VanDerWaalsContact ND2-ND2 3.19Å; N165-N167 VanDerWaalsContact OD1-CB 3.27Å; N165-N167 WeakPolarHBondContact OD1-CB 3.32Å; N165-N167 PolarHBondContact OD1-N 3.17Å
166	G	93.9	Very high	93.1	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	14%	0.141	C	C	.	.	S	Bend	trans	88.2	-1.9	-179.5	0	0	0	0	0	114.4	Y57 L163 P164	Y57-G166 WeakPolarHBondContact CE1-O 3.35Å; Y57-G166 PolarHBondContact OH-O 3.42Å; Y57-G166 VanDerWaalsContact OH-O 3.11Å; L163-G166 PolarHBondContact O-N 3.44Å; P164-G166 PolarHBondContact O-N 2.96Å
167	N	94.6	Very high	92.2	Very high	18 Å²	18	29.9 Å²	29.9	10%	0.096	16%	0.162	C	C	.	.			trans	-71.9	143.4	175	-66.8	-9.5	0	0	0	110.7	L163 N165 Y169 Y216 K217 V218	L163-N167 PolarHBondContact N-O 2.94Å; N165-N167 PolarHBondContact ND2-ND2 3.27Å; N165-N167 VanDerWaalsContact ND2-ND2 3.19Å; N165-N167 VanDerWaalsContact OD1-CB 3.27Å; N165-N167 WeakPolarHBondContact OD1-CB 3.32Å; N165-N167 PolarHBondContact OD1-N 3.17Å; N167-Y169 HydrophobicContact CB-CE2 3.82Å; N167-Y216 WeakPolarHBondContact CA-O 3.37Å; N167-K217 WeakPolarHBondContact OD1-CA 3.33Å; N167-V218 PolarHBondContact OD1-N 3.28Å
168	I	96.7	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.1	-179.6	-56.4	167.7	0	0	0	108	F89 V91 F108 I118 T160 V161 M162 L185 Y216	F89-I168 HydrophobicContact CZ-CD1 4.13Å; F89-I168 HydrophobicContact CZ-CG1 4Å; V91-I168 HydrophobicContact CG2-CD1 4.47Å; F108-I168 HydrophobicContact CZ-CD1 4.31Å; I118-I168 HydrophobicContact CD1-CD1 4.41Å; I118-I168 HydrophobicContact CD1-CG2 3.55Å; T160-I168 HydrophobicContact CG2-CG2 4.1Å; V161-I168 CarbonylContact O-C 3.58Å; V161-I168 WeakPolarHBondContact O-CA 3.48Å; M162-I168 HydrophobicContact CG-CG1 4.3Å; M162-I168 HydrophobicContact CG-CG2 4.41Å; I168-L185 HydrophobicContact CD1-CD1 4.13Å; I168-L185 HydrophobicContact CD1-CD2 4.25Å; I168-Y216 HydrophobicContact CB-CD2 4.13Å; I168-Y216 HydrophobicContact CG2-CD2 4.08Å; I168-Y216 PolarHBondContact N-O 2.9Å; I168-Y216 PolarHBondContact O-N 2.88Å
169	Y	96.2	Very high	90.2	Very high	20 Å²	20	40 Å²	40	8%	0.078	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.7	178.4	-59.3	-93.3	0	0	0	109	T160 V161 L163 N167 L213 V214 E215 F261	T160-Y169 CarbonylContact C-O 3.42Å; T160-Y169 VanDerWaalsContact CA-O 3.22Å; T160-Y169 WeakPolarHBondContact CA-O 3.37Å; V161-Y169 PolarHBondContact N-O 2.81Å; V161-Y169 PolarHBondContact O-N 2.94Å; L163-Y169 HydrophobicContact CD1-CD2 4.46Å; L163-Y169 HydrophobicContact CD1-CE2 3.62Å; L163-Y169 HydrophobicContact CG-CE2 4.07Å; N167-Y169 HydrophobicContact CB-CE2 3.82Å; Y169-L213 HydrophobicContact CD1-CD1 4.4Å; Y169-V214 CarbonylContact C-O 3.59Å; Y169-V214 VanDerWaalsContact CA-O 3.3Å; Y169-V214 WeakPolarHBondContact CA-O 3.46Å; Y169-E215 HydrophobicContact CD1-CB 3.91Å; Y169-E215 HydrophobicContact CD1-CG 3.74Å; Y169-E215 HydrophobicContact CE1-CB 3.86Å; Y169-E215 HydrophobicContact CE1-CG 3.76Å; Y169-F261 AromaticContact CD1-CE2 3.49Å; Y169-F261 HydrophobicContact CD1-CE2 3.49Å; Y169-F261 VanDerWaalsContact CD1-CE2 3.49Å; Y169-F261 AromaticContact CD1-CZ 3.99Å; Y169-F261 HydrophobicContact CD1-CZ 3.99Å; Y169-F261 HydrophobicContact CD2-CE2 4.02Å; Y169-F261 AromaticContact CD2-CZ 3.92Å; Y169-F261 HydrophobicContact CD2-CZ 3.92Å; Y169-F261 AromaticContact CE1-CE2 3.74Å; Y169-F261 HydrophobicContact CE1-CE2 3.74Å; Y169-F261 HydrophobicContact CE2-CE2 4.26Å; Y169-F261 AromaticContact CG-CE2 3.64Å; Y169-F261 HydrophobicContact CG-CE2 3.64Å; Y169-F261 AromaticContact CG-CZ 3.65Å; Y169-F261 HydrophobicContact CG-CZ 3.65Å
170	V	96.8	Very high	89.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121	174.8	-178.2	0	0	0	0	108.1	T159 T160 Y172 V214 Y216	T159-V170 CarbonylContact O-C 3.54Å; T159-V170 WeakPolarHBondContact O-CA 3.38Å; T160-V170 HydrophobicContact CG2-CG2 4.47Å; V170-Y172 HydrophobicContact CG1-CE1 3.85Å; V170-V214 HydrophobicContact CB-CB 4.38Å; V170-V214 PolarHBondContact N-O 2.94Å; V170-V214 PolarHBondContact O-N 3Å; V170-Y216 HydrophobicContact CG2-CE2 3.99Å
171	Y	96.4	Very high	89.3	Confident	11 Å²	11	44.1 Å²	44.1	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.7	178.4	-179	-94.7	0	0	0	110.8	R65 S67 P68 T158 T159 D173 G211 T212 L213	R65-Y171 HydrophobicContact CB-CE2 4.49Å; R65-Y171 WeakPolarHBondContact O-CE2 3.17Å; R65-Y171 PolarHBondContact O-OH 2.85Å; R65-Y171 VanDerWaalsContact O-OH 3.09Å; S67-Y171 VanDerWaalsContact CA-CZ 3.43Å; S67-Y171 PolarHBondContact N-OH 3.35Å; P68-Y171 HydrophobicContact CG-CG 4.18Å; T158-Y171 CarbonylContact C-O 3.56Å; T158-Y171 WeakPolarHBondContact CA-O 3.32Å; T159-Y171 PolarHBondContact N-O 3.3Å; T159-Y171 PolarHBondContact O-N 3.23Å; Y171-D173 HydrophobicContact CD1-CB 4.22Å; Y171-D173 HydrophobicContact CE1-CB 3.74Å; Y171-G211 WeakPolarHBondContact OH-CA 3.32Å; Y171-T212 WeakPolarHBondContact CA-O 3.37Å; Y171-T212 WeakPolarHBondContact CD2-O 3.15Å; Y171-L213 HydrophobicContact CD2-CB 4.24Å; Y171-L213 HydrophobicContact CD2-CD1 4.41Å
172	Y	95.1	Very high	89.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.1	178.2	-55.3	-67.3	0	0	0	111.1	T158 V170 I175 F181 S183 V203 I208 G211 T212 V214	T158-Y172 HydrophobicContact CG2-CD1 3.79Å; T158-Y172 HydrophobicContact CG2-CE1 4.04Å; V170-Y172 HydrophobicContact CG1-CE1 3.85Å; Y172-I175 HydrophobicContact CD1-CD1 4.04Å; Y172-I175 HydrophobicContact CG-CD1 4.09Å; Y172-F181 HydrophobicContact CD1-CE1 4.48Å; Y172-F181 HydrophobicContact CE1-CE1 4.07Å; Y172-S183 WeakPolarHBondContact OH-CB 3.38Å; Y172-S183 PolarHBondContact OH-OG 2.85Å; Y172-V203 HydrophobicContact CE2-CG1 4.34Å; Y172-I208 HydrophobicContact CD1-CG2 3.99Å; Y172-I208 HydrophobicContact CD2-CG2 4.43Å; Y172-I208 HydrophobicContact CE1-CG2 4.05Å; Y172-I208 HydrophobicContact CE2-CG1 4.36Å; Y172-I208 HydrophobicContact CE2-CG2 4.44Å; Y172-I208 HydrophobicContact CG-CG2 4.21Å; Y172-G211 PolarHBondContact O-N 2.78Å; Y172-T212 HydrophobicContact CD2-CG2 4.33Å; Y172-T212 PolarHBondContact N-O 2.82Å; Y172-V214 HydrophobicContact CE2-CG2 3.7Å
173	D	92.9	Very high	89.1	Confident	40 Å²	40	49.2 Å²	49.2	21%	0.214	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149	179.5	-153.8	-0.4	0	0	0	111.8	M157 Y171 I175	M157-D173 HydrophobicContact CB-CB 4.25Å; M157-D173 PolarHBondContact N-O 3.06Å; M157-D173 PolarHBondContact O-N 3.42Å; Y171-D173 HydrophobicContact CD1-CB 4.22Å; Y171-D173 HydrophobicContact CE1-CB 3.74Å; D173-I175 PolarHBondContact O-N 3.19Å; D173-I175 VanDerWaalsContact O-N 3.13Å
174	N	90.3	Very high	89.2	Confident	82 Å²	82	49 Å²	49	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	53.1	27.5	178.6	-68.5	-18.2	0	0	0	115.8	I155 T176 S210	I155-N174 WeakPolarHBondContact O-CB 3.35Å; N174-T176 PolarHBondContact O-N 3.5Å; N174-S210 PolarHBondContact N-OG 2.89Å; N174-S210 VanDerWaalsContact N-OG 3.09Å
175	I	86.7	Confident	89.4	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	24%	0.236	C	C	.	.			trans	-83.8	110.4	169.9	-55.6	-177	0	0	0	108.9	F156 Y172 D173 L179 I208 S210	F156-I175 HydrophobicContact CB-CG1 3.95Å; F156-I175 HydrophobicContact CD2-CD1 4.45Å; F156-I175 HydrophobicContact CD2-CG1 4.18Å; F156-I175 HydrophobicContact CG-CG1 4.34Å; Y172-I175 HydrophobicContact CD1-CD1 4.04Å; Y172-I175 HydrophobicContact CG-CD1 4.09Å; D173-I175 PolarHBondContact O-N 3.19Å; D173-I175 VanDerWaalsContact O-N 3.13Å; I175-L179 HydrophobicContact CG2-CD1 4.42Å; I175-I208 HydrophobicContact CD1-CG2 3.55Å; I175-S210 WeakPolarHBondContact O-CB 3.18Å; I175-S210 PolarHBondContact O-N 2.77Å
176	T	77.6	Confident	89.6	Confident	106 Å²	106	42.9 Å²	42.9	65%	0.65	22%	0.219	S	C	*	.			trans	-108.4	-16.4	-173.9	55.6	0	0	0	0	115	N174	N174-T176 PolarHBondContact O-N 3.5Å
177	E	71	Confident	89.6	Confident	97 Å²	97	42.8 Å²	42.8	45%	0.453	22%	0.219	S	C	.	.	S	Bend	trans	-132.5	162.8	-173.8	-69.6	176.7	-176.8	0	0	110.6	R154 L179	R154-E177 IonicContact CZ-OE1 3.3Å; R154-E177 VanDerWaalsContact CZ-OE1 3.3Å; R154-E177 IonicContact CZ-OE2 3.77Å; R154-E177 IonicContact NH1-OE1 2.71Å; R154-E177 PolarHBondContact NH1-OE1 2.71Å; R154-E177 IonicContact NH1-OE2 3.93Å; R154-E177 VanDerWaalsContact NH2-CD 3.33Å; R154-E177 IonicContact NH2-OE1 3.13Å; R154-E177 PolarHBondContact NH2-OE1 3.2Å; R154-E177 VanDerWaalsContact NH2-OE1 3.13Å; R154-E177 IonicContact NH2-OE2 2.95Å; R154-E177 PolarHBondContact NH2-OE2 2.86Å; E177-L179 PolarHBondContact O-N 3.41Å
178	E	69.9	Low	89.4	Confident	207 Å²	207	42.6 Å²	42.6	97%	0.967	22%	0.219	S	C	*	.			trans	-67.2	83	166	-73	-179.2	179.4	0	0	108.6
179	L	73.7	Confident	89	Confident	44 Å²	44	43.3 Å²	43.3	23%	0.23	22%	0.223	C	C	.	.			trans	-79.2	136.7	170.6	-62	173.4	0	0	0	108.3	I147 F156 I175 E177 F181	I147-L179 HydrophobicContact CD1-CD1 3.75Å; I147-L179 HydrophobicContact CD1-CD2 3.44Å; I147-L179 VanDerWaalsContact CD1-CD2 3.44Å; I147-L179 HydrophobicContact CD1-CG 4.26Å; I147-L179 HydrophobicContact CG1-CD1 4.47Å; I147-L179 HydrophobicContact CG1-CD2 4.25Å; F156-L179 HydrophobicContact CD1-CD1 3.77Å; F156-L179 HydrophobicContact CE1-CD1 3.88Å; F156-L179 HydrophobicContact CG-CD1 4.31Å; I175-L179 HydrophobicContact CG2-CD1 4.42Å; E177-L179 PolarHBondContact O-N 3.41Å; L179-F181 HydrophobicContact CB-CB 4.12Å; L179-F181 PolarHBondContact O-N 3.19Å
180	D	83.9	Confident	88.4	Confident	89 Å²	89	48.3 Å²	48.3	48%	0.476	25%	0.246	S	C	.	.			trans	-68.8	83.7	164.9	-170.8	18	0	0	0	107.9	S122 P123 Y124	S122-D180 WeakPolarHBondContact CA-O 3.32Å; S122-D180 WeakPolarHBondContact CB-O 3.38Å; S122-D180 PolarHBondContact OG-O 3.38Å; P123-D180 HydrophobicContact CG-CB 4.47Å; P123-D180 WeakPolarHBondContact CG-OD2 3.27Å; Y124-D180 HydrophobicContact CD2-CB 4.37Å; Y124-D180 HydrophobicContact CE2-CB 4.02Å
181	F	88.4	Confident	87.7	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.044	25%	0.247	C	C	.	.			trans	-135.6	117.9	-173.5	-178.7	-93	0	0	0	108.7	N120 H121 F145 F156 T158 Y172 L179 I208	N120-F181 HydrophobicContact CB-CE2 3.84Å; N120-F181 HydrophobicContact CB-CZ 3.58Å; N120-F181 WeakPolarHBondContact OD1-CZ 3.42Å; H121-F181 CarbonylContact O-C 3.53Å; H121-F181 WeakPolarHBondContact O-CA 3.41Å; F145-F181 HydrophobicContact CE2-CE2 4.4Å; F156-F181 AromaticContact CE2-CD2 3.7Å; F156-F181 HydrophobicContact CE2-CD2 3.7Å; F156-F181 AromaticContact CE2-CE2 3.47Å; F156-F181 HydrophobicContact CE2-CE2 3.47Å; F156-F181 VanDerWaalsContact CE2-CE2 3.47Å; F156-F181 HydrophobicContact CE2-CG 4.37Å; F156-F181 AromaticContact CE2-CZ 3.96Å; F156-F181 HydrophobicContact CE2-CZ 3.96Å; F156-F181 AromaticContact CZ-CD2 3.64Å; F156-F181 HydrophobicContact CZ-CD2 3.64Å; F156-F181 AromaticContact CZ-CE2 3.75Å; F156-F181 HydrophobicContact CZ-CE2 3.75Å; F156-F181 HydrophobicContact CZ-CG 4.48Å; T158-F181 HydrophobicContact CG2-CE1 4.24Å; T158-F181 HydrophobicContact CG2-CZ 3.75Å; Y172-F181 HydrophobicContact CD1-CE1 4.48Å; Y172-F181 HydrophobicContact CE1-CE1 4.07Å; L179-F181 HydrophobicContact CB-CB 4.12Å; L179-F181 PolarHBondContact O-N 3.19Å; F181-I208 HydrophobicContact CD1-CD1 4.21Å; F181-I208 HydrophobicContact CD1-CG2 3.6Å; F181-I208 HydrophobicContact CE1-CG2 4.01Å; F181-I208 WeakPolarHBondContact O-CD1 3.38Å
182	E	92.1	Very high	86.8	Confident	107 Å²	107	52 Å²	52	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.6	178.1	-63.4	179.9	166.9	0	0	108.9	N120 H121	N120-E182 CarbonylContact C-O 3.54Å; N120-E182 WeakPolarHBondContact CA-O 3.48Å; H121-E182 HydrophobicContact CB-CB 4.42Å; H121-E182 PolarHBondContact N-O 2.51Å; H121-E182 PolarHBondContact O-N 3.4Å
183	S	95.3	Very high	86	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.6	171.9	-167.5	0	0	0	0	109.8	D119 N120 Y172 V203	D119-S183 WeakPolarHBondContact O-CA 3.4Å; N120-S183 PolarHBondContact OD1-OG 2.97Å; Y172-S183 WeakPolarHBondContact OH-CB 3.38Å; Y172-S183 PolarHBondContact OH-OG 2.85Å; S183-V203 PolarHBondContact O-N 3.03Å
184	L	96.3	Very high	85.2	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.1	-176.5	66.7	90.1	0	0	0	111.8	I118 D119 I201	I118-L184 WeakPolarHBondContact CA-O 3.28Å; D119-L184 HydrophobicContact CB-CD1 4.23Å; D119-L184 HydrophobicContact CB-CG 4.18Å; D119-L184 PolarHBondContact N-O 3Å; D119-L184 PolarHBondContact O-N 3.31Å; D119-L184 VanDerWaalsContact O-N 3.08Å; L184-I201 WeakPolarHBondContact CA-O 3.33Å
185	L	97.8	Very high	84.8	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.5	164.8	168.6	64.7	0	0	0	108	Y57 F92 F108 S117 I118 I168 I201 Y216	Y57-L185 HydrophobicContact CD2-CD2 4.03Å; Y57-L185 HydrophobicContact CE2-CD2 4.15Å; Y57-L185 HydrophobicContact CG-CD2 4.35Å; F92-L185 HydrophobicContact CE2-CD1 4.23Å; F92-L185 HydrophobicContact CE2-CG 4.18Å; F92-L185 HydrophobicContact CZ-CD2 4.35Å; F92-L185 HydrophobicContact CZ-CG 4.15Å; F108-L185 HydrophobicContact CE2-CD1 3.81Å; F108-L185 HydrophobicContact CZ-CD1 4.29Å; S117-L185 CarbonylContact O-C 3.53Å; S117-L185 WeakPolarHBondContact O-CA 3.35Å; I118-L185 HydrophobicContact CG1-CD1 3.76Å; I168-L185 HydrophobicContact CD1-CD1 4.13Å; I168-L185 HydrophobicContact CD1-CD2 4.25Å; L185-I201 HydrophobicContact CB-CB 4.34Å; L185-I201 HydrophobicContact CD2-CD1 4.25Å; L185-I201 PolarHBondContact N-O 2.91Å; L185-I201 PolarHBondContact O-N 2.71Å; L185-Y216 HydrophobicContact CB-CE1 4.16Å; L185-Y216 HydrophobicContact CB-CE2 4.18Å; L185-Y216 HydrophobicContact CD2-CD1 3.79Å; L185-Y216 HydrophobicContact CD2-CD2 4.02Å; L185-Y216 HydrophobicContact CD2-CE1 4.23Å; L185-Y216 HydrophobicContact CD2-CE2 4.42Å; L185-Y216 HydrophobicContact CD2-CG 3.67Å
186	S	96.2	Very high	84.7	Confident	19 Å²	19	59.5 Å²	59.5	13%	0.133	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.8	177.3	81.3	0	0	0	0	111.7	F92 G116 S117 F199	F92-S186 VanDerWaalsContact CE2-O 3.31Å; F92-S186 WeakPolarHBondContact CE2-O 3.46Å; G116-S186 WeakPolarHBondContact CA-O 2.98Å; S117-S186 PolarHBondContact N-O 2.81Å; S117-S186 PolarHBondContact N-OG 2.87Å; S117-S186 PolarHBondContact O-N 3.28Å; S117-S186 PolarHBondContact OG-OG 2.03Å; S186-F199 CarbonylContact C-O 3.48Å; S186-F199 WeakPolarHBondContact CA-O 3.17Å
187	G	94.5	Very high	85.1	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.7	175.4	0	0	0	0	0	112	F92 L115 D198 F199	F92-G187 VanDerWaalsContact CE2-CA 3.43Å; L115-G187 CarbonylContact O-C 3.49Å; L115-G187 WeakPolarHBondContact O-CA 3.3Å; G187-D198 CarbonylContact O-C 3.58Å; G187-D198 WeakPolarHBondContact O-CA 3.43Å; G187-F199 PolarHBondContact N-O 2.91Å; G187-F199 PolarHBondContact O-N 3.4Å
188	S	90.9	Very high	86	Confident	13 Å²	13	58.7 Å²	58.7	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.2	173.4	-164.7	0	0	0	0	110.9	L115 R197 D198	L115-S188 PolarHBondContact O-N 3.35Å; S188-R197 WeakPolarHBondContact CA-O 3.41Å; S188-D198 WeakPolarHBondContact CB-OD1 3.41Å; S188-D198 PolarHBondContact OG-OD1 2.87Å
189	I	87.4	Confident	87.1	Confident	16 Å²	16	49.4 Å²	49.4	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.3	173	74.7	-176.6	0	0	0	110.3	V30 Y55 F92 E196 R197 F199	V30-I189 HydrophobicContact CG1-CD1 3.91Å; Y55-I189 HydrophobicContact CE1-CD1 4Å; Y55-I189 HydrophobicContact CE1-CG2 4.1Å; F92-I189 HydrophobicContact CB-CG2 4.44Å; I189-E196 CarbonylContact O-C 3.54Å; I189-E196 WeakPolarHBondContact O-CA 3.45Å; I189-R197 HydrophobicContact CG1-CB 3.97Å; I189-R197 PolarHBondContact N-O 2.87Å; I189-R197 PolarHBondContact O-N 2.66Å; I189-F199 HydrophobicContact CB-CE2 4.34Å; I189-F199 HydrophobicContact CD1-CE2 3.66Å; I189-F199 HydrophobicContact CD1-CZ 3.67Å; I189-F199 HydrophobicContact CG1-CE2 3.68Å; I189-F199 HydrophobicContact CG1-CZ 4.09Å; I189-F199 HydrophobicContact CG2-CE2 4Å
190	E	84	Confident	88	Confident	124 Å²	124	53.2 Å²	53.2	58%	0.579	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.6	174.9	-169.7	169.8	174.1	0	0	110.1	K113	K113-E190 IonicContact NZ-OE2 2.73Å; K113-E190 PolarHBondContact NZ-OE2 3.44Å
191	C	82.1	Confident	88.6	Confident	2 Å²	2	49 Å²	49	1%	0.014	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119	175	-75.7	0	0	0	0	109.8	C31 G193 E194 G195 R197	C31-C191 HydrophobicContact CB-CB 3.96Å; C31-C191 WeakPolarHBondContact CB-SG 3.43Å; C31-C191 VanDerWaalsContact SG-CA 3.51Å; C31-C191 WeakPolarHBondContact SG-CB 3.45Å; C31-C191 CovalentContact SG-SG 2.03Å; C31-C191 PolarHBondContact SG-SG 2.87Å; C191-G193 PolarHBondContact O-N 3.04Å; C191-E194 HydrophobicContact CB-CB 3.94Å; C191-E194 PolarHBondContact O-N 3.39Å; C191-G195 WeakPolarHBondContact CB-O 3.36Å; C191-G195 PolarHBondContact N-O 2.84Å; C191-G195 PolarHBondContact O-N 2.96Å; C191-R197 HydrophobicContact CB-CG 4.22Å; C191-R197 WeakPolarHBondContact SG-CG 3.38Å
192	D	77.5	Confident	88.9	Confident	88 Å²	88	51.8 Å²	51.8	47%	0.471	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	110.1	-177.3	-77.4	-20.9	0	0	0	111.7	F24 E194	F24-D192 HydrophobicContact CD2-CB 4.4Å; F24-D192 HydrophobicContact CE2-CB 3.98Å; D192-E194 VanDerWaalsContact C-N 3.27Å; D192-E194 PolarHBondContact O-N 2.98Å
193	G	77.3	Confident	89.1	Confident	78 Å²	78	47 Å²	47	80%	0.804	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	4.1	178.6	0	0	0	0	0	116	C191	C191-G193 PolarHBondContact O-N 3.04Å
194	E	75.6	Confident	89	Confident	64 Å²	64	50.7 Å²	50.7	30%	0.299	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-7	176	-59.3	-163	166.9	0	0	114	C191 D192 R197	C191-E194 HydrophobicContact CB-CB 3.94Å; C191-E194 PolarHBondContact O-N 3.39Å; D192-E194 VanDerWaalsContact C-N 3.27Å; D192-E194 PolarHBondContact O-N 2.98Å; E194-R197 IonicContact OE2-CZ 2.76Å; E194-R197 IonicContact OE2-NH2 2.94Å; E194-R197 PolarHBondContact OE2-NH2 2.94Å
195	G	82.9	Confident	88.9	Confident	41 Å²	41	52.9 Å²	52.9	42%	0.423	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.6	-164.6	-179.2	0	0	0	0	0	112.3	C191	C191-G195 WeakPolarHBondContact CB-O 3.36Å; C191-G195 PolarHBondContact N-O 2.84Å; C191-G195 PolarHBondContact O-N 2.96Å
196	E	84.8	Confident	88.6	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.2	178.4	-68.2	-175.5	152.9	0	0	111.2	K113 I189	K113-E196 WeakPolarHBondContact CE-OE1 3.27Å; K113-E196 IonicContact NZ-OE1 3.61Å; K113-E196 PolarHBondContact NZ-OE1 3.13Å; I189-E196 CarbonylContact O-C 3.54Å; I189-E196 WeakPolarHBondContact O-CA 3.45Å
197	R	86.7	Confident	88.5	Confident	98 Å²	98	57.4 Å²	57.4	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.1	176	-64.4	-65	-165.7	-169.2	1.4	108.4	S188 I189 C191 E194 F199	S188-R197 WeakPolarHBondContact CA-O 3.41Å; I189-R197 HydrophobicContact CG1-CB 3.97Å; I189-R197 PolarHBondContact N-O 2.87Å; I189-R197 PolarHBondContact O-N 2.66Å; C191-R197 HydrophobicContact CB-CG 4.22Å; C191-R197 WeakPolarHBondContact SG-CG 3.38Å; E194-R197 IonicContact OE2-CZ 2.76Å; E194-R197 IonicContact OE2-NH2 2.94Å; E194-R197 PolarHBondContact OE2-NH2 2.94Å; R197-F199 HydrophobicContact CB-CE2 4.33Å; R197-F199 HydrophobicContact CB-CZ 4.2Å; R197-F199 WeakPolarHBondContact O-CE2 3.48Å
198	D	89.7	Confident	88.5	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.8	179.4	-51	-45.3	0	0	0	111.5	K38 G187 S188	K38-D198 VanDerWaalsContact CE-O 3.31Å; K38-D198 WeakPolarHBondContact CE-O 3.26Å; G187-D198 CarbonylContact O-C 3.58Å; G187-D198 WeakPolarHBondContact O-CA 3.43Å; S188-D198 WeakPolarHBondContact CB-OD1 3.41Å; S188-D198 PolarHBondContact OG-OD1 2.87Å
199	F	91.3	Very high	88.6	Confident	12 Å²	12	61.6 Å²	61.6	5%	0.053	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.6	177.6	-52.1	-83.3	0	0	0	108.9	N34 K38 Y55 F92 S186 G187 I189 R197	N34-F199 HydrophobicContact CB-CE1 4.38Å; K38-F199 HydrophobicContact CG-CD1 4.4Å; Y55-F199 AromaticContact CD1-CD1 3.76Å; Y55-F199 HydrophobicContact CD1-CD1 3.76Å; Y55-F199 AromaticContact CD1-CD2 3.61Å; Y55-F199 HydrophobicContact CD1-CD2 3.61Å; Y55-F199 AromaticContact CD1-CE1 3.57Å; Y55-F199 HydrophobicContact CD1-CE1 3.57Å; Y55-F199 AromaticContact CD1-CE2 3.4Å; Y55-F199 HydrophobicContact CD1-CE2 3.4Å; Y55-F199 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F199 AromaticContact CD1-CG 3.78Å; Y55-F199 HydrophobicContact CD1-CG 3.78Å; Y55-F199 AromaticContact CD1-CZ 3.39Å; Y55-F199 HydrophobicContact CD1-CZ 3.39Å; Y55-F199 HydrophobicContact CE1-CD2 4.07Å; Y55-F199 HydrophobicContact CE1-CE1 4.33Å; Y55-F199 AromaticContact CE1-CE2 3.55Å; Y55-F199 HydrophobicContact CE1-CE2 3.55Å; Y55-F199 AromaticContact CE1-CZ 3.7Å; Y55-F199 HydrophobicContact CE1-CZ 3.7Å; Y55-F199 HydrophobicContact CG-CD1 4.01Å; Y55-F199 AromaticContact CG-CE1 3.72Å; Y55-F199 HydrophobicContact CG-CE1 3.72Å; Y55-F199 HydrophobicContact CG-CE2 4.36Å; Y55-F199 HydrophobicContact CG-CG 4.44Å; Y55-F199 AromaticContact CG-CZ 3.92Å; Y55-F199 HydrophobicContact CG-CZ 3.92Å; F92-F199 HydrophobicContact CE1-CB 4.3Å; S186-F199 CarbonylContact C-O 3.48Å; S186-F199 WeakPolarHBondContact CA-O 3.17Å; G187-F199 PolarHBondContact N-O 2.91Å; G187-F199 PolarHBondContact O-N 3.4Å; I189-F199 HydrophobicContact CB-CE2 4.34Å; I189-F199 HydrophobicContact CD1-CE2 3.66Å; I189-F199 HydrophobicContact CD1-CZ 3.67Å; I189-F199 HydrophobicContact CG1-CE2 3.68Å; I189-F199 HydrophobicContact CG1-CZ 4.09Å; I189-F199 HydrophobicContact CG2-CE2 4Å; R197-F199 HydrophobicContact CB-CE2 4.33Å; R197-F199 HydrophobicContact CB-CZ 4.2Å; R197-F199 WeakPolarHBondContact O-CE2 3.48Å
200	E	93.7	Very high	88.9	Confident	123 Å²	123	63.1 Å²	63.1	58%	0.575	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.9	177.8	-69.4	176.5	-175.5	0	0	108.9
201	I	96.1	Very high	89.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	90	178	-49.9	178.7	0	0	0	106.8	H54 Y57 Q59 F92 L184 L185 Y216	H54-I201 HydrophobicContact CB-CD1 3.6Å; H54-I201 HydrophobicContact CB-CG1 3.86Å; Y57-I201 HydrophobicContact CD2-CD1 4.38Å; Y57-I201 HydrophobicContact CG-CD1 4.48Å; Q59-I201 HydrophobicContact CB-CG2 4.16Å; Q59-I201 HydrophobicContact CG-CG2 4.43Å; F92-I201 HydrophobicContact CE1-CD1 4.36Å; F92-I201 HydrophobicContact CZ-CD1 4.22Å; L184-I201 WeakPolarHBondContact CA-O 3.33Å; L185-I201 HydrophobicContact CB-CB 4.34Å; L185-I201 HydrophobicContact CD2-CD1 4.25Å; L185-I201 PolarHBondContact N-O 2.91Å; L185-I201 PolarHBondContact O-N 2.71Å; I201-Y216 HydrophobicContact CB-CE1 4.16Å; I201-Y216 HydrophobicContact CG2-CD1 4.17Å; I201-Y216 HydrophobicContact CG2-CE1 3.58Å
202	S	95.7	Very high	90	Very high	67 Å²	67	57.6 Å²	57.6	47%	0.469	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	147.3	180	-67.3	0	0	0	0	111.7	Q59	Q59-S202 PolarHBondContact NE2-O 2.79Å; Q59-S202 VanDerWaalsContact NE2-O 3.1Å
203	V	95.9	Very high	90.9	Very high	8 Å²	8	54 Å²	54	5%	0.048	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-92.5	116.7	167	-175.6	0	0	0	0	107.6	I61 Y172 S183 A205 W207 I208 V214 Y216	I61-V203 HydrophobicContact CD1-CG1 4.26Å; Y172-V203 HydrophobicContact CE2-CG1 4.34Å; S183-V203 PolarHBondContact O-N 3.03Å; V203-A205 PolarHBondContact O-N 3.02Å; V203-W207 HydrophobicContact CG1-CB 4.04Å; V203-I208 HydrophobicContact CB-CD1 4.27Å; V203-I208 HydrophobicContact CB-CG1 4.14Å; V203-I208 HydrophobicContact CG1-CD1 4.34Å; V203-I208 HydrophobicContact CG1-CG1 3.68Å; V203-V214 HydrophobicContact CG1-CG2 4.1Å; V203-V214 HydrophobicContact CG2-CG1 4.12Å; V203-V214 HydrophobicContact CG2-CG2 4.01Å; V203-Y216 WeakPolarHBondContact CG2-OH 3.27Å
204	D	93.6	Very high	91.8	Very high	78 Å²	78	50.3 Å²	50.3	42%	0.417	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-56.4	131.1	175.5	175.4	-30.7	0	0	0	109.8	K206 W207	D204-K206 PolarHBondContact O-N 2.86Å; D204-K206 WeakPolarHBondContact OD1-CD 3.39Å; D204-K206 VanDerWaalsContact OD1-CG 3.27Å; D204-K206 WeakPolarHBondContact OD1-CG 3.33Å; D204-K206 PolarHBondContact OD1-N 2.86Å; D204-K206 VanDerWaalsContact OD2-CE 3.25Å; D204-K206 WeakPolarHBondContact OD2-CE 3.48Å; D204-K206 IonicContact OD2-NZ 3.57Å; D204-K206 PolarHBondContact OD2-NZ 2.78Å; D204-W207 WeakPolarHBondContact O-CB 3.25Å; D204-W207 PolarHBondContact O-N 2.78Å
205	A	92.3	Very high	92.8	Very high	74 Å²	74	48 Å²	48	61%	0.612	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-51.1	-31.4	-173.4	0	0	0	0	0	113.6	V203 W207 I208	V203-A205 PolarHBondContact O-N 3.02Å; A205-W207 PolarHBondContact O-N 3.4Å; A205-W207 VanDerWaalsContact O-N 3.09Å; A205-I208 PolarHBondContact O-N 3.44Å
206	K	92.5	Very high	93.4	Very high	102 Å²	102	46.2 Å²	46.2	44%	0.443	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.2	177.6	78.9	-162.9	176.4	-148.1	0	114	Q45 D204	Q45-K206 VanDerWaalsContact NE2-CE 3.3Å; D204-K206 PolarHBondContact O-N 2.86Å; D204-K206 WeakPolarHBondContact OD1-CD 3.39Å; D204-K206 VanDerWaalsContact OD1-CG 3.27Å; D204-K206 WeakPolarHBondContact OD1-CG 3.33Å; D204-K206 PolarHBondContact OD1-N 2.86Å; D204-K206 VanDerWaalsContact OD2-CE 3.25Å; D204-K206 WeakPolarHBondContact OD2-CE 3.48Å; D204-K206 IonicContact OD2-NZ 3.57Å; D204-K206 PolarHBondContact OD2-NZ 2.78Å
207	W	94.4	Very high	93.9	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.045	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-95.1	-15.2	177.6	-64	117.9	0	0	0	113.1	Q45 D46 A50 I61 V63 V203 D204 A205 K209 T212	Q45-W207 HydrophobicContact CG-CZ2 3.84Å; D46-W207 VanDerWaalsContact O-CH2 3.27Å; D46-W207 WeakPolarHBondContact O-CH2 3.41Å; A50-W207 HydrophobicContact CB-CZ2 3.8Å; I61-W207 HydrophobicContact CD1-CB 4.13Å; I61-W207 HydrophobicContact CD1-CD2 4.44Å; I61-W207 HydrophobicContact CD1-CG 3.81Å; I61-W207 HydrophobicContact CG2-CB 3.92Å; I61-W207 HydrophobicContact CG2-CD2 3.75Å; I61-W207 HydrophobicContact CG2-CE3 3.77Å; I61-W207 HydrophobicContact CG2-CG 3.83Å; V63-W207 HydrophobicContact CG1-CE3 3.49Å; V63-W207 VanDerWaalsContact CG1-CE3 3.49Å; V63-W207 HydrophobicContact CG1-CZ3 3.45Å; V63-W207 VanDerWaalsContact CG1-CZ3 3.45Å; V203-W207 HydrophobicContact CG1-CB 4.04Å; D204-W207 WeakPolarHBondContact O-CB 3.25Å; D204-W207 PolarHBondContact O-N 2.78Å; A205-W207 PolarHBondContact O-N 3.4Å; A205-W207 VanDerWaalsContact O-N 3.09Å; W207-K209 VanDerWaalsContact C-N 3.28Å; W207-K209 PolarHBondContact O-N 2.85Å; W207-T212 VanDerWaalsContact O-CB 3.32Å; W207-T212 WeakPolarHBondContact O-CB 3.29Å; W207-T212 VanDerWaalsContact O-CG2 3.23Å; W207-T212 WeakPolarHBondContact O-CG2 3.36Å; W207-T212 PolarHBondContact O-OG1 2.97Å
208	I	93.6	Very high	94.3	Very high	18 Å²	18	38.2 Å²	38.2	9%	0.092	21%	0.211	C	C	.	.			trans	-82.2	78.7	-178.7	-53.5	173.6	0	0	0	109.3	Y172 I175 F181 V203 A205	Y172-I208 HydrophobicContact CD1-CG2 3.99Å; Y172-I208 HydrophobicContact CD2-CG2 4.43Å; Y172-I208 HydrophobicContact CE1-CG2 4.05Å; Y172-I208 HydrophobicContact CE2-CG1 4.36Å; Y172-I208 HydrophobicContact CE2-CG2 4.44Å; Y172-I208 HydrophobicContact CG-CG2 4.21Å; I175-I208 HydrophobicContact CD1-CG2 3.55Å; F181-I208 HydrophobicContact CD1-CD1 4.21Å; F181-I208 HydrophobicContact CD1-CG2 3.6Å; F181-I208 HydrophobicContact CE1-CG2 4.01Å; F181-I208 WeakPolarHBondContact O-CD1 3.38Å; V203-I208 HydrophobicContact CB-CD1 4.27Å; V203-I208 HydrophobicContact CB-CG1 4.14Å; V203-I208 HydrophobicContact CG1-CD1 4.34Å; V203-I208 HydrophobicContact CG1-CG1 3.68Å; A205-I208 PolarHBondContact O-N 3.44Å
209	K	92.9	Very high	94.4	Very high	87 Å²	87	34 Å²	34	38%	0.378	19%	0.188	S	C	.	.	S	Bend	trans	-141.5	156.6	179.7	64	-171.5	176.3	-166.8	0	111	W207 G211 T212	W207-K209 VanDerWaalsContact C-N 3.28Å; W207-K209 PolarHBondContact O-N 2.85Å; K209-G211 PolarHBondContact O-N 2.86Å; K209-T212 WeakPolarHBondContact CG-OG1 3.48Å; K209-T212 VanDerWaalsContact O-CB 3.24Å; K209-T212 WeakPolarHBondContact O-CB 3.5Å; K209-T212 PolarHBondContact O-N 3.49Å; K209-T212 VanDerWaalsContact O-N 3.16Å; K209-T212 PolarHBondContact O-OG1 3.43Å
210	S	93.7	Very high	94.3	Very high	48 Å²	48	35.4 Å²	35.4	34%	0.336	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.5	-179	-166.3	0	0	0	0	111.9	N174 I175	N174-S210 PolarHBondContact N-OG 2.89Å; N174-S210 VanDerWaalsContact N-OG 3.09Å; I175-S210 WeakPolarHBondContact O-CB 3.18Å; I175-S210 PolarHBondContact O-N 2.77Å
211	G	93.8	Very high	94.1	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	13.4	-177.6	0	0	0	0	0	114.4	V63 N64 R65 Y171 Y172 K209	V63-G211 CarbonylContact C-O 3.58Å; N64-G211 PolarHBondContact N-O 3.14Å; R65-G211 PolarHBondContact N-O 3.19Å; Y171-G211 WeakPolarHBondContact OH-CA 3.32Å; Y172-G211 PolarHBondContact O-N 2.78Å; K209-G211 PolarHBondContact O-N 2.86Å
212	T	95.4	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.3	177.6	-54.1	0	0	0	0	111.4	I61 R62 V63 Y171 Y172 W207 K209	I61-T212 HydrophobicContact CG2-CG2 3.66Å; R62-T212 WeakPolarHBondContact O-CA 3.29Å; V63-T212 HydrophobicContact CG1-CG2 4.27Å; Y171-T212 WeakPolarHBondContact CA-O 3.37Å; Y171-T212 WeakPolarHBondContact CD2-O 3.15Å; Y172-T212 HydrophobicContact CD2-CG2 4.33Å; Y172-T212 PolarHBondContact N-O 2.82Å; W207-T212 VanDerWaalsContact O-CB 3.32Å; W207-T212 WeakPolarHBondContact O-CB 3.29Å; W207-T212 VanDerWaalsContact O-CG2 3.23Å; W207-T212 WeakPolarHBondContact O-CG2 3.36Å; W207-T212 PolarHBondContact O-OG1 2.97Å; K209-T212 WeakPolarHBondContact CG-OG1 3.48Å; K209-T212 VanDerWaalsContact O-CB 3.24Å; K209-T212 WeakPolarHBondContact O-CB 3.5Å; K209-T212 PolarHBondContact O-N 3.49Å; K209-T212 VanDerWaalsContact O-N 3.16Å; K209-T212 PolarHBondContact O-OG1 3.43Å
213	L	96.1	Very high	93.6	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.3	173.2	179.7	66.4	0	0	0	109.5	I61 R62 R65 Y169 Y171 E215	I61-L213 WeakPolarHBondContact CA-O 3.39Å; R62-L213 PolarHBondContact N-O 2.76Å; R62-L213 PolarHBondContact O-N 3.34Å; R65-L213 HydrophobicContact CB-CB 4.13Å; R65-L213 HydrophobicContact CG-CB 4.15Å; Y169-L213 HydrophobicContact CD1-CD1 4.4Å; Y171-L213 HydrophobicContact CD2-CB 4.24Å; Y171-L213 HydrophobicContact CD2-CD1 4.41Å; L213-E215 HydrophobicContact CD2-CG 4.11Å; L213-E215 HydrophobicContact CG-CG 4.11Å
214	V	96.9	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.8	170.3	-175.9	0	0	0	0	108.1	Q59 I60 I61 Y169 V170 Y172 V203 Y216	Q59-V214 HydrophobicContact CG-CG1 3.82Å; I60-V214 CarbonylContact O-C 3.6Å; I60-V214 WeakPolarHBondContact O-CA 3.37Å; I61-V214 HydrophobicContact CG1-CG1 4.39Å; I61-V214 HydrophobicContact CG1-CG2 4.26Å; Y169-V214 CarbonylContact C-O 3.59Å; Y169-V214 VanDerWaalsContact CA-O 3.3Å; Y169-V214 WeakPolarHBondContact CA-O 3.46Å; V170-V214 HydrophobicContact CB-CB 4.38Å; V170-V214 PolarHBondContact N-O 2.94Å; V170-V214 PolarHBondContact O-N 3Å; Y172-V214 HydrophobicContact CE2-CG2 3.7Å; V203-V214 HydrophobicContact CG1-CG2 4.1Å; V203-V214 HydrophobicContact CG2-CG1 4.12Å; V203-V214 HydrophobicContact CG2-CG2 4.01Å; V214-Y216 HydrophobicContact CG1-CD2 4.42Å; V214-Y216 HydrophobicContact CG1-CE1 4.04Å; V214-Y216 HydrophobicContact CG1-CE2 3.83Å
215	E	96.2	Very high	93.1	Very high	16 Å²	16	36 Å²	36	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.6	176.7	-39.7	176	-128.7	0	0	108.9	Q59 I60 R62 Y169 L213 K217	Q59-E215 CarbonylContact C-O 3.53Å; Q59-E215 WeakPolarHBondContact CA-O 3.39Å; I60-E215 HydrophobicContact CB-CB 4.17Å; I60-E215 HydrophobicContact CB-CG 4.46Å; I60-E215 PolarHBondContact N-O 3.27Å; I60-E215 PolarHBondContact O-N 3.19Å; R62-E215 WeakPolarHBondContact CD-OE1 3.36Å; R62-E215 IonicContact CZ-OE1 3.48Å; R62-E215 IonicContact NE-OE1 3.3Å; R62-E215 PolarHBondContact NE-OE1 2.81Å; R62-E215 IonicContact NH2-OE1 3.88Å; Y169-E215 HydrophobicContact CD1-CB 3.91Å; Y169-E215 HydrophobicContact CD1-CG 3.74Å; Y169-E215 HydrophobicContact CE1-CB 3.86Å; Y169-E215 HydrophobicContact CE1-CG 3.76Å; L213-E215 HydrophobicContact CD2-CG 4.11Å; L213-E215 HydrophobicContact CG-CG 4.11Å; E215-K217 HydrophobicContact CB-CG 4.49Å; E215-K217 WeakPolarHBondContact OE2-CE 3.35Å; E215-K217 IonicContact OE2-NZ 3.39Å
216	Y	96.9	Very high	93	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	98.9	166.5	-55.7	-75.6	0	0	0	108.1	S58 Q59 N167 I168 V170 L185 I201 V203 V214	S58-Y216 WeakPolarHBondContact O-CA 3.37Å; Q59-Y216 HydrophobicContact CB-CD1 4.13Å; Q59-Y216 HydrophobicContact CB-CE1 4.13Å; Q59-Y216 HydrophobicContact CG-CD1 4.15Å; Q59-Y216 HydrophobicContact CG-CE1 3.76Å; N167-Y216 WeakPolarHBondContact CA-O 3.37Å; I168-Y216 HydrophobicContact CB-CD2 4.13Å; I168-Y216 HydrophobicContact CG2-CD2 4.08Å; I168-Y216 PolarHBondContact N-O 2.9Å; I168-Y216 PolarHBondContact O-N 2.88Å; V170-Y216 HydrophobicContact CG2-CE2 3.99Å; L185-Y216 HydrophobicContact CB-CE1 4.16Å; L185-Y216 HydrophobicContact CB-CE2 4.18Å; L185-Y216 HydrophobicContact CD2-CD1 3.79Å; L185-Y216 HydrophobicContact CD2-CD2 4.02Å; L185-Y216 HydrophobicContact CD2-CE1 4.23Å; L185-Y216 HydrophobicContact CD2-CE2 4.42Å; L185-Y216 HydrophobicContact CD2-CG 3.67Å; I201-Y216 HydrophobicContact CB-CE1 4.16Å; I201-Y216 HydrophobicContact CG2-CD1 4.17Å; I201-Y216 HydrophobicContact CG2-CE1 3.58Å; V203-Y216 WeakPolarHBondContact CG2-OH 3.27Å; V214-Y216 HydrophobicContact CG1-CD2 4.42Å; V214-Y216 HydrophobicContact CG1-CE1 4.04Å; V214-Y216 HydrophobicContact CG1-CE2 3.83Å
217	K	95.3	Very high	93	Very high	18 Å²	18	36.4 Å²	36.4	8%	0.078	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.3	177.5	-67.5	-165.3	178.6	-174.1	0	110.6	Y57 S58 I60 N167 E215 S219 V252	Y57-K217 CarbonylContact C-O 3.54Å; Y57-K217 WeakPolarHBondContact CA-O 3.25Å; S58-K217 PolarHBondContact N-O 2.89Å; S58-K217 PolarHBondContact O-N 3.42Å; I60-K217 HydrophobicContact CD1-CD 3.84Å; I60-K217 HydrophobicContact CD1-CG 4.21Å; N167-K217 WeakPolarHBondContact OD1-CA 3.33Å; E215-K217 HydrophobicContact CB-CG 4.49Å; E215-K217 WeakPolarHBondContact OE2-CE 3.35Å; E215-K217 IonicContact OE2-NZ 3.39Å; K217-S219 PolarHBondContact O-N 2.84Å; K217-S219 VanDerWaalsContact O-N 3.14Å; K217-V252 HydrophobicContact CB-CG1 4.29Å; K217-V252 HydrophobicContact CD-CG1 4.02Å
218	V	94.6	Very high	93	Very high	23 Å²	23	37.9 Å²	37.9	14%	0.139	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	116.6	174.4	178.2	0	0	0	0	109.3	Y57 N167 G220 T239	Y57-V218 HydrophobicContact CD1-CG2 4.41Å; Y57-V218 HydrophobicContact CE1-CG2 3.78Å; N167-V218 PolarHBondContact OD1-N 3.28Å; V218-G220 VanDerWaalsContact C-N 3.3Å; V218-G220 PolarHBondContact O-N 2.8Å; V218-T239 WeakPolarHBondContact O-CG2 3.34Å; V218-T239 PolarHBondContact O-OG1 2.94Å
219	S	92.4	Very high	93	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.235	C	C	.	.			trans	-72.7	-24.2	-174.5	-51.5	0	0	0	0	113.7	Q53 H56 Y57 S58 K217 D221 C222	Q53-S219 PolarHBondContact NE2-OG 3.29Å; Q53-S219 PolarHBondContact OE1-OG 2.94Å; H56-S219 PolarHBondContact O-N 2.86Å; H56-S219 PolarHBondContact O-OG 3.37Å; Y57-S219 WeakPolarHBondContact CA-OG 3.39Å; Y57-S219 PolarHBondContact O-OG 3.32Å; S58-S219 PolarHBondContact N-OG 3.49Å; S58-S219 PolarHBondContact OG-OG 2.83Å; K217-S219 PolarHBondContact O-N 2.84Å; K217-S219 VanDerWaalsContact O-N 3.14Å; S219-D221 PolarHBondContact O-N 3.01Å; S219-C222 PolarHBondContact O-N 2.85Å; S219-C222 PolarHBondContact O-SG 3.34Å; S219-C222 VanDerWaalsContact O-SG 3.41Å
220	G	89	Confident	93	Very high	41 Å²	41	42.5 Å²	42.5	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-133	-174.1	0	0	0	0	0	111.3	V218	V218-G220 VanDerWaalsContact C-N 3.3Å; V218-G220 PolarHBondContact O-N 2.8Å
221	D	89	Confident	93	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.9	-179.6	-65.9	-34.5	0	0	0	113.8	S219 K224 Y225	S219-D221 PolarHBondContact O-N 3.01Å; D221-K224 HydrophobicContact CB-CD 4.13Å; D221-K224 VanDerWaalsContact O-CB 3.28Å; D221-K224 WeakPolarHBondContact O-CB 3.41Å; D221-K224 PolarHBondContact O-N 2.92Å; D221-K224 WeakPolarHBondContact OD1-CD 3.27Å; D221-K224 VanDerWaalsContact OD1-CE 3.29Å; D221-K224 WeakPolarHBondContact OD1-CE 3.32Å; D221-K224 IonicContact OD1-NZ 3.48Å; D221-K224 PolarHBondContact OD1-NZ 2.91Å; D221-Y225 HydrophobicContact CB-CE2 4.2Å; D221-Y225 WeakPolarHBondContact O-CD2 3.11Å
222	C	91.9	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-51.4	-50.4	-175.5	-56.7	0	0	0	0	112.2	S219 K224 Y225 C241 C250	S219-C222 PolarHBondContact O-N 2.85Å; S219-C222 PolarHBondContact O-SG 3.34Å; S219-C222 VanDerWaalsContact O-SG 3.41Å; C222-K224 PolarHBondContact O-N 3.24Å; C222-Y225 PolarHBondContact O-N 3.22Å; C222-Y225 VanDerWaalsContact O-N 3.12Å; C222-C241 WeakPolarHBondContact CA-SG 3.3Å; C222-C241 HydrophobicContact CB-CB 3.8Å; C222-C241 WeakPolarHBondContact CB-SG 3.44Å; C222-C241 WeakPolarHBondContact SG-CB 3.44Å; C222-C241 CovalentContact SG-SG 2.03Å; C222-C241 PolarHBondContact SG-SG 2.87Å; C222-C250 CarbonylContact C-O 3.54Å; C222-C250 WeakPolarHBondContact O-CB 3.38Å; C222-C250 PolarHBondContact O-SG 2.91Å; C222-C250 VanDerWaalsContact O-SG 3.38Å
223	P	90.1	Very high	92.4	Very high	35 Å²	35	51.5 Å²	51.5	23%	0.227	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.1	-15.1	-177.7	-20.8	34.9	0	0	0	114.6	Q53 Y225	Q53-P223 HydrophobicContact CG-CB 4.37Å; Q53-P223 HydrophobicContact CG-CG 4.08Å; P223-Y225 VanDerWaalsContact C-N 3.34Å
224	K	87.7	Confident	91.8	Very high	127 Å²	127	51.9 Å²	51.9	55%	0.552	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-76.9	-22.8	178.6	-57.1	179.9	-179.4	169.1	0	112.3	D221 C222 N226	D221-K224 HydrophobicContact CB-CD 4.13Å; D221-K224 VanDerWaalsContact O-CB 3.28Å; D221-K224 WeakPolarHBondContact O-CB 3.41Å; D221-K224 PolarHBondContact O-N 2.92Å; D221-K224 WeakPolarHBondContact OD1-CD 3.27Å; D221-K224 VanDerWaalsContact OD1-CE 3.29Å; D221-K224 WeakPolarHBondContact OD1-CE 3.32Å; D221-K224 IonicContact OD1-NZ 3.48Å; D221-K224 PolarHBondContact OD1-NZ 2.91Å; C222-K224 PolarHBondContact O-N 3.24Å; K224-N226 PolarHBondContact O-N 2.71Å
225	Y	90.5	Very high	90.9	Very high	58 Å²	58	61.4 Å²	61.4	23%	0.227	32%	0.316	C	S	.	.			trans	-79.7	110.4	178.4	-55.5	-57	0	0	0	110.3	D221 C222 P223 C250	D221-Y225 HydrophobicContact CB-CE2 4.2Å; D221-Y225 WeakPolarHBondContact O-CD2 3.11Å; C222-Y225 PolarHBondContact O-N 3.22Å; C222-Y225 VanDerWaalsContact O-N 3.12Å; P223-Y225 VanDerWaalsContact C-N 3.34Å; Y225-C250 VanDerWaalsContact O-CB 3.3Å; Y225-C250 WeakPolarHBondContact O-CB 3.13Å
226	N	90.4	Very high	89.6	Confident	125 Å²	125	62.4 Å²	62.4	67%	0.668	32%	0.323	S	S	*	.			trans	-95.4	3	-174.6	65.2	1.7	0	0	0	114.3	K224 W243	K224-N226 PolarHBondContact O-N 2.71Å; N226-W243 WeakPolarHBondContact O-CH2 3.23Å
227	T	92.7	Very high	88.2	Confident	61 Å²	61	70.5 Å²	70.5	37%	0.374	37%	0.366	S	S	.	.	S	Bend	trans	-131.1	152.2	173.2	73.9	0	0	0	0	111.5	K229 T230 C231 W243	T227-K229 VanDerWaalsContact C-N 3.26Å; T227-K229 PolarHBondContact O-N 3.02Å; T227-T230 PolarHBondContact N-OG1 3.11Å; T227-T230 PolarHBondContact O-N 2.79Å; T227-T230 PolarHBondContact O-OG1 3.29Å; T227-T230 WeakPolarHBondContact OG1-CG2 3.24Å; T227-T230 PolarHBondContact OG1-N 2.54Å; T227-T230 PolarHBondContact OG1-OG1 2.94Å; T227-C231 WeakPolarHBondContact O-CB 3.49Å; T227-C231 PolarHBondContact O-N 3.34Å; T227-W243 VanDerWaalsContact C-CZ3 3.47Å
228	T	93.6	Very high	87.2	Confident	43 Å²	43	76.4 Å²	76.4	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-51.1	-46.5	174.1	-45.2	0	0	0	0	111.8	C231 Q232 W243	T228-C231 WeakPolarHBondContact O-CB 3.48Å; T228-C231 PolarHBondContact O-N 2.92Å; T228-Q232 HydrophobicContact CG2-CG 4.46Å; T228-Q232 WeakPolarHBondContact O-CB 3.34Å; T228-Q232 VanDerWaalsContact O-CG 3.31Å; T228-Q232 WeakPolarHBondContact O-CG 3.41Å; T228-Q232 PolarHBondContact O-N 3Å; T228-W243 HydrophobicContact CG2-CB 4.02Å; T228-W243 HydrophobicContact CG2-CD2 4.48Å; T228-W243 HydrophobicContact CG2-CG 3.81Å; T228-W243 VanDerWaalsContact OG1-CE2 3.28Å; T228-W243 PolarHBondContact OG1-NE1 3.26Å
229	K	93.3	Very high	86.7	Confident	148 Å²	148	76.2 Å²	76.2	64%	0.643	40%	0.397	S	S	*	.	H	α-helix	trans	-62.3	-51.3	-178.7	-176.2	175.7	-179.1	179.4	0	111.8	T227 C231 Q232 D233	T227-K229 VanDerWaalsContact C-N 3.26Å; T227-K229 PolarHBondContact O-N 3.02Å; K229-C231 PolarHBondContact O-N 3.1Å; K229-Q232 PolarHBondContact O-N 3.06Å; K229-D233 WeakPolarHBondContact CG-OD2 3.48Å; K229-D233 WeakPolarHBondContact O-CB 3.32Å; K229-D233 VanDerWaalsContact O-CG 3.31Å; K229-D233 PolarHBondContact O-N 3Å
230	T	93	Very high	86.6	Confident	54 Å²	54	81.8 Å²	81.8	33%	0.331	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-32.6	179.1	50.3	0	0	0	0	112.6	T227 S234	T227-T230 PolarHBondContact N-OG1 3.11Å; T227-T230 PolarHBondContact O-N 2.79Å; T227-T230 PolarHBondContact O-OG1 3.29Å; T227-T230 WeakPolarHBondContact OG1-CG2 3.24Å; T227-T230 PolarHBondContact OG1-N 2.54Å; T227-T230 PolarHBondContact OG1-OG1 2.94Å; T230-S234 PolarHBondContact O-N 3.05Å
231	C	93.4	Very high	86.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-69.7	-46.5	176.8	-176.3	0	0	0	0	111.8	T227 T228 K229 S234 W243 C250	T227-C231 WeakPolarHBondContact O-CB 3.49Å; T227-C231 PolarHBondContact O-N 3.34Å; T228-C231 WeakPolarHBondContact O-CB 3.48Å; T228-C231 PolarHBondContact O-N 2.92Å; K229-C231 PolarHBondContact O-N 3.1Å; C231-S234 WeakPolarHBondContact O-CB 3.41Å; C231-S234 PolarHBondContact O-N 3Å; C231-S234 PolarHBondContact O-OG 2.76Å; C231-W243 HydrophobicContact CB-CB 4.33Å; C231-W243 HydrophobicContact CB-CE3 3.88Å; C231-W243 PolarHBondContact SG-N 2.92Å; C231-W243 VanDerWaalsContact SG-N 3.42Å; C231-C250 VanDerWaalsContact CA-SG 3.58Å; C231-C250 HydrophobicContact CB-CB 3.55Å; C231-C250 WeakPolarHBondContact CB-SG 3.46Å; C231-C250 VanDerWaalsContact SG-CA 3.59Å; C231-C250 WeakPolarHBondContact SG-CB 3.45Å; C231-C250 CovalentContact SG-SG 2.02Å; C231-C250 PolarHBondContact SG-SG 2.82Å
232	Q	89.2	Confident	86.9	Confident	138 Å²	138	80.1 Å²	80.1	65%	0.645	41%	0.406	S	S	*	.	H	α-helix	trans	-68.8	-36.7	179.9	-73	174.1	-22.8	0	0	112.9	T228 K229 S234	T228-Q232 HydrophobicContact CG2-CG 4.46Å; T228-Q232 WeakPolarHBondContact O-CB 3.34Å; T228-Q232 VanDerWaalsContact O-CG 3.31Å; T228-Q232 WeakPolarHBondContact O-CG 3.41Å; T228-Q232 PolarHBondContact O-N 3Å; K229-Q232 PolarHBondContact O-N 3.06Å; Q232-S234 PolarHBondContact O-N 2.88Å
233	D	88.1	Confident	87	Confident	107 Å²	107	81.3 Å²	81.3	57%	0.572	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.6	179.3	-67.4	-23.8	0	0	0	112.8	K229 K235	K229-D233 WeakPolarHBondContact CG-OD2 3.48Å; K229-D233 WeakPolarHBondContact O-CB 3.32Å; K229-D233 VanDerWaalsContact O-CG 3.31Å; K229-D233 PolarHBondContact O-N 3Å; D233-K235 PolarHBondContact O-N 3.19Å
234	S	84.2	Confident	87.1	Confident	23 Å²	23	81.7 Å²	81.7	16%	0.161	41%	0.409	C	S	.	.			trans	-65.7	125.8	-175.9	68.1	0	0	0	0	111.8	T230 C231 Q232	T230-S234 PolarHBondContact O-N 3.05Å; C231-S234 WeakPolarHBondContact O-CB 3.41Å; C231-S234 PolarHBondContact O-N 3Å; C231-S234 PolarHBondContact O-OG 2.76Å; Q232-S234 PolarHBondContact O-N 2.88Å
235	K	76.9	Confident	87.3	Confident	200 Å²	200	82 Å²	82	87%	0.87	41%	0.413	S	S	*	.			trans	-105.8	70.5	172.4	-65.9	-175.5	-177	-179	0	109.1	D233	D233-K235 PolarHBondContact O-N 3.19Å
236	T	69.1	Low	87.3	Confident	37 Å²	37	88.6 Å²	88.6	23%	0.227	44%	0.442	C	S	.	.			trans	-77.3	132.9	171.2	42.3	0	0	0	0	109.1	N238 T239	T236-N238 VanDerWaalsContact C-N 3.28Å; T236-N238 PolarHBondContact O-N 2.83Å; T236-T239 WeakPolarHBondContact CB-O 3.36Å; T236-T239 PolarHBondContact OG1-O 2.84Å
237	L	68	Low	87.3	Confident	171 Å²	171	83.3 Å²	83.3	90%	0.895	42%	0.416	S	S	*	.	S	Bend	trans	-65.2	-29.8	-176.2	-80.7	154.9	0	0	0	113.1
238	N	73.7	Confident	87.2	Confident	143 Å²	143	85.9 Å²	85.9	77%	0.765	43%	0.428	S	S	*	.	S	Bend	trans	-130.7	-7.8	-167.2	-63.3	-23	0	0	0	115.4	T236	T236-N238 VanDerWaalsContact C-N 3.28Å; T236-N238 PolarHBondContact O-N 2.83Å
239	T	84.9	Confident	87.1	Confident	19 Å²	19	84.7 Å²	84.7	12%	0.117	42%	0.42	C	S	.	.			trans	-138.5	104.8	-169.6	-54.6	0	0	0	0	111	V218 T236 C241 V252	V218-T239 WeakPolarHBondContact O-CG2 3.34Å; V218-T239 PolarHBondContact O-OG1 2.94Å; T236-T239 WeakPolarHBondContact CB-O 3.36Å; T236-T239 PolarHBondContact OG1-O 2.84Å; T239-C241 PolarHBondContact O-N 3.08Å; T239-V252 HydrophobicContact CG2-CB 4.19Å; T239-V252 HydrophobicContact CG2-CG1 3.68Å; T239-V252 HydrophobicContact CG2-CG2 3.65Å
240	K	89.8	Confident	87.1	Confident	118 Å²	118	77.7 Å²	77.7	51%	0.513	39%	0.389	S	S	.	.			trans	-64.3	126.5	175	-173	-176.3	178.1	-165.1	0	110.4	S253 D255	K240-S253 PolarHBondContact O-N 2.79Å; K240-D255 IonicContact NZ-OD2 3.7Å; K240-D255 PolarHBondContact NZ-OD2 2.77Å
241	C	91.9	Very high	87.1	Confident	16 Å²	16	75.4 Å²	75.4	11%	0.108	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148.1	177.8	-50.4	0	0	0	0	111.7	C222 T239 I251	C222-C241 WeakPolarHBondContact CA-SG 3.3Å; C222-C241 HydrophobicContact CB-CB 3.8Å; C222-C241 WeakPolarHBondContact CB-SG 3.44Å; C222-C241 WeakPolarHBondContact SG-CB 3.44Å; C222-C241 CovalentContact SG-SG 2.03Å; C222-C241 PolarHBondContact SG-SG 2.87Å; T239-C241 PolarHBondContact O-N 3.08Å; C241-I251 CarbonylContact C-O 3.49Å; C241-I251 WeakPolarHBondContact CA-O 3.38Å
242	T	92.3	Very high	87.1	Confident	60 Å²	60	75.8 Å²	75.8	37%	0.368	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.1	175.7	-57.5	0	0	0	0	109.9	I251	T242-I251 PolarHBondContact N-O 2.99Å; T242-I251 WeakPolarHBondContact O-CG1 3.28Å; T242-I251 PolarHBondContact O-N 2.85Å
243	W	94.3	Very high	87.1	Confident	24 Å²	24	69.5 Å²	69.5	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.8	176.9	-176.3	-104	0	0	0	111.4	N226 T227 T228 C231 E245 N248 C250	N226-W243 WeakPolarHBondContact O-CH2 3.23Å; T227-W243 VanDerWaalsContact C-CZ3 3.47Å; T228-W243 HydrophobicContact CG2-CB 4.02Å; T228-W243 HydrophobicContact CG2-CD2 4.48Å; T228-W243 HydrophobicContact CG2-CG 3.81Å; T228-W243 VanDerWaalsContact OG1-CE2 3.28Å; T228-W243 PolarHBondContact OG1-NE1 3.26Å; C231-W243 HydrophobicContact CB-CB 4.33Å; C231-W243 HydrophobicContact CB-CE3 3.88Å; C231-W243 PolarHBondContact SG-N 2.92Å; C231-W243 VanDerWaalsContact SG-N 3.42Å; W243-E245 VanDerWaalsContact CD1-OE1 3.25Å; W243-E245 VanDerWaalsContact NE1-CD 3.34Å; W243-E245 PolarHBondContact NE1-OE2 2.91Å; W243-N248 VanDerWaalsContact CZ2-OD1 3.24Å; W243-N248 WeakPolarHBondContact CZ2-OD1 3.23Å; W243-C250 HydrophobicContact CE3-CB 3.92Å; W243-C250 HydrophobicContact CZ3-CB 4.2Å
244	H	92.8	Very high	86.8	Confident	43 Å²	43	66.5 Å²	66.5	20%	0.199	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	101.2	177.5	-172.8	-85.9	0	0	0	111.1	F44 K246 A247 N248 M249 I251	F44-H244 AromaticContact CD1-NE2 3.64Å; H244-K246 PolarHBondContact O-N 3.33Å; H244-A247 VanDerWaalsContact ND1-CB 3.28Å; H244-A247 WeakPolarHBondContact ND1-CB 3.32Å; H244-A247 PolarHBondContact ND1-N 2.72Å; H244-A247 PolarHBondContact O-N 2.76Å; H244-N248 PolarHBondContact O-N 3.16Å; H244-M249 PolarHBondContact N-O 2.82Å; H244-M249 PolarHBondContact O-N 3.12Å; H244-I251 HydrophobicContact CB-CD1 3.89Å; H244-I251 HydrophobicContact CB-CG1 4.05Å; H244-I251 HydrophobicContact CB-CG2 4.43Å
245	E	92.5	Very high	86.4	Confident	134 Å²	134	69.3 Å²	69.3	63%	0.626	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-55.4	-48.5	-170.9	-65.1	-64.6	173.9	0	0	113.7	W243 A247 N248	W243-E245 VanDerWaalsContact CD1-OE1 3.25Å; W243-E245 VanDerWaalsContact NE1-CD 3.34Å; W243-E245 PolarHBondContact NE1-OE2 2.91Å; E245-A247 PolarHBondContact O-N 2.73Å; E245-N248 PolarHBondContact O-N 2.98Å; E245-N248 VanDerWaalsContact O-N 3.09Å
246	K	90.1	Very high	85.4	Confident	196 Å²	196	64.7 Å²	64.7	85%	0.852	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-64.2	-29.5	-176.1	-175.2	179.6	179.2	-176	0	113	H244	H244-K246 PolarHBondContact O-N 3.33Å
247	A	88.9	Confident	84.5	Confident	15 Å²	15	68.4 Å²	68.4	12%	0.124	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-94.9	-6.5	-180	0	0	0	0	0	112.9	K41 V43 H244 E245 M249	K41-A247 PolarHBondContact NZ-O 3.01Å; V43-A247 HydrophobicContact CB-CB 4.42Å; V43-A247 HydrophobicContact CG1-CB 3.48Å; V43-A247 VanDerWaalsContact CG1-CB 3.48Å; H244-A247 VanDerWaalsContact ND1-CB 3.28Å; H244-A247 WeakPolarHBondContact ND1-CB 3.32Å; H244-A247 PolarHBondContact ND1-N 2.72Å; H244-A247 PolarHBondContact O-N 2.76Å; E245-A247 PolarHBondContact O-N 2.73Å; A247-M249 VanDerWaalsContact C-N 3.25Å; A247-M249 HydrophobicContact CB-CB 4.34Å; A247-M249 PolarHBondContact O-N 2.81Å
248	N	91.7	Very high	83.6	Confident	115 Å²	115	66.1 Å²	66.1	62%	0.615	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	48.9	-173.7	-168.7	48.7	0	0	0	111.6	W243 H244 E245	W243-N248 VanDerWaalsContact CZ2-OD1 3.24Å; W243-N248 WeakPolarHBondContact CZ2-OD1 3.23Å; H244-N248 PolarHBondContact O-N 3.16Å; E245-N248 PolarHBondContact O-N 2.98Å; E245-N248 VanDerWaalsContact O-N 3.09Å
249	M	91.4	Very high	82.3	Confident	18 Å²	18	66.7 Å²	66.7	9%	0.089	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	144.9	-171	-171.5	165.7	77.4	0	0	111.3	K41 V43 Q53 H244 A247 I251	K41-M249 HydrophobicContact CD-CE 4.33Å; K41-M249 HydrophobicContact CD-SD 4.03Å; V43-M249 HydrophobicContact CG2-CE 3.24Å; Q53-M249 HydrophobicContact CB-CE 3.63Å; Q53-M249 HydrophobicContact CG-CE 4.07Å; Q53-M249 HydrophobicContact CG-SD 4.49Å; H244-M249 PolarHBondContact N-O 2.82Å; H244-M249 PolarHBondContact O-N 3.12Å; A247-M249 VanDerWaalsContact C-N 3.25Å; A247-M249 HydrophobicContact CB-CB 4.34Å; A247-M249 PolarHBondContact O-N 2.81Å; M249-I251 HydrophobicContact CE-CG2 3.78Å; M249-I251 HydrophobicContact CG-CG2 4.48Å
250	C	93.4	Very high	80.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.8	170.7	-173.7	0	0	0	0	110	C222 Y225 C231 W243	C222-C250 CarbonylContact C-O 3.54Å; C222-C250 WeakPolarHBondContact O-CB 3.38Å; C222-C250 PolarHBondContact O-SG 2.91Å; C222-C250 VanDerWaalsContact O-SG 3.38Å; Y225-C250 VanDerWaalsContact O-CB 3.3Å; Y225-C250 WeakPolarHBondContact O-CB 3.13Å; C231-C250 VanDerWaalsContact CA-SG 3.58Å; C231-C250 HydrophobicContact CB-CB 3.55Å; C231-C250 WeakPolarHBondContact CB-SG 3.46Å; C231-C250 VanDerWaalsContact SG-CA 3.59Å; C231-C250 WeakPolarHBondContact SG-CB 3.45Å; C231-C250 CovalentContact SG-SG 2.02Å; C231-C250 PolarHBondContact SG-SG 2.82Å; W243-C250 HydrophobicContact CE3-CB 3.92Å; W243-C250 HydrophobicContact CZ3-CB 4.2Å
251	I	93.5	Very high	78.7	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.036	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160	-175	60.3	167.6	0	0	0	110.8	V43 F44 Y51 C241 T242 H244 M249	V43-I251 HydrophobicContact CG1-CG2 4.18Å; V43-I251 HydrophobicContact CG2-CG2 4.43Å; F44-I251 HydrophobicContact CE1-CD1 4.33Å; Y51-I251 HydrophobicContact CE1-CB 4.14Å; Y51-I251 HydrophobicContact CE1-CG2 3.79Å; Y51-I251 HydrophobicContact CE2-CB 4.3Å; Y51-I251 HydrophobicContact CE2-CD1 4.35Å; Y51-I251 WeakPolarHBondContact OH-CB 3.46Å; C241-I251 CarbonylContact C-O 3.49Å; C241-I251 WeakPolarHBondContact CA-O 3.38Å; T242-I251 PolarHBondContact N-O 2.99Å; T242-I251 WeakPolarHBondContact O-CG1 3.28Å; T242-I251 PolarHBondContact O-N 2.85Å; H244-I251 HydrophobicContact CB-CD1 3.89Å; H244-I251 HydrophobicContact CB-CG1 4.05Å; H244-I251 HydrophobicContact CB-CG2 4.43Å; M249-I251 HydrophobicContact CE-CG2 3.78Å; M249-I251 HydrophobicContact CG-CG2 4.48Å
252	V	92.8	Very high	76.5	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.2	166.2	-178	0	0	0	0	109	Y51 S58 K217 T239 T254	Y51-V252 PolarHBondContact OH-N 2.98Å; S58-V252 WeakPolarHBondContact OG-CG2 3.33Å; K217-V252 HydrophobicContact CB-CG1 4.29Å; K217-V252 HydrophobicContact CD-CG1 4.02Å; T239-V252 HydrophobicContact CG2-CB 4.19Å; T239-V252 HydrophobicContact CG2-CG1 3.68Å; T239-V252 HydrophobicContact CG2-CG2 3.65Å; V252-T254 PolarHBondContact O-N 2.89Å
253	S	88.8	Confident	74.4	Confident	7 Å²	7	71.4 Å²	71.4	5%	0.049	36%	0.358	C	S	.	.			trans	-58.1	129.6	175.9	-169.6	0	0	0	0	110.7	K240 D255	K240-S253 PolarHBondContact O-N 2.79Å; S253-D255 VanDerWaalsContact C-N 3.32Å; S253-D255 WeakPolarHBondContact OG-CB 3.22Å; S253-D255 PolarHBondContact OG-N 3.25Å; S253-D255 PolarHBondContact OG-OD2 2.85Å
254	T	83	Confident	72.1	Confident	44 Å²	44	73.5 Å²	73.5	27%	0.27	37%	0.372	S	S	.	.			trans	-90.2	-2.9	175.2	58.6	0	0	0	0	112.2	F44 Y51 I60 R62 V252 M256	F44-T254 HydrophobicContact CE1-CG2 4.49Å; F44-T254 HydrophobicContact CZ-CG2 4.2Å; Y51-T254 HydrophobicContact CD2-CG2 3.67Å; Y51-T254 HydrophobicContact CE2-CG2 3.96Å; I60-T254 HydrophobicContact CD1-CG2 4.23Å; R62-T254 PolarHBondContact NH2-O 2.82Å; V252-T254 PolarHBondContact O-N 2.89Å; T254-M256 PolarHBondContact O-N 3.08Å
255	D	74.2	Confident	70.2	Confident	81 Å²	81	73.1 Å²	73.1	43%	0.433	37%	0.373	S	S	.	.	S	Bend	trans	-47.8	129.6	169.7	-62.5	-28.5	0	0	0	107.3	K240 S253 D257	K240-D255 IonicContact NZ-OD2 3.7Å; K240-D255 PolarHBondContact NZ-OD2 2.77Å; S253-D255 VanDerWaalsContact C-N 3.32Å; S253-D255 WeakPolarHBondContact OG-CB 3.22Å; S253-D255 PolarHBondContact OG-N 3.25Å; S253-D255 PolarHBondContact OG-OD2 2.85Å; D255-D257 VanDerWaalsContact C-N 3.27Å; D255-D257 PolarHBondContact O-N 3Å
256	M	56.6	Low	68.6	Low	104 Å²	104	68.6 Å²	68.6	51%	0.512	36%	0.356	S	S	.	.			trans	-69.5	95.8	170.7	-60.1	-159.2	-44.1	0	0	106.4	T254 I258	T254-M256 PolarHBondContact O-N 3.08Å; M256-I258 PolarHBondContact O-N 3.08Å
257	D	49.1	Very low	66.5	Low	115 Å²	115	66.1 Å²	66.1	62%	0.615	35%	0.348	S	S	*	.	S	Bend	trans	-64.3	119.5	149.8	-67.1	-35.7	0	0	0	104.8	D255	D255-D257 VanDerWaalsContact C-N 3.27Å; D255-D257 PolarHBondContact O-N 3Å
258	I	49.7	Very low	64.2	Low	122 Å²	122	71.5 Å²	71.5	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	98.8	100.3	175.9	-47.3	155	0	0	0	114.2	M256 D260	M256-I258 PolarHBondContact O-N 3.08Å; I258-D260 VanDerWaalsContact CG2-O 3.26Å; I258-D260 WeakPolarHBondContact CG2-O 3.32Å; I258-D260 PolarHBondContact O-N 2.82Å
259	D	45.9	Very low	61.2	Low	156 Å²	156	74.1 Å²	74.1	83%	0.834	38%	0.382	S	S	*	.	S	Bend	trans	-48.9	116.6	151.9	-74.2	-50	0	0	0	109.7
260	D	46.6	Very low	58.3	Low	120 Å²	120	80 Å²	80	64%	0.642	41%	0.413	S	S	*	.	S	Bend	trans	55.4	130.6	-175.5	-67.4	-25.6	0	0	0	115.7	I258 K262	I258-D260 VanDerWaalsContact CG2-O 3.26Å; I258-D260 WeakPolarHBondContact CG2-O 3.32Å; I258-D260 PolarHBondContact O-N 2.82Å; D260-K262 HydrophobicContact CB-CB 4.3Å; D260-K262 PolarHBondContact O-N 2.79Å
261	F	52.8	Low	55.3	Low	46 Å²	46	85.3 Å²	85.3	20%	0.202	45%	0.451	C	S	.	.			trans	-67.3	45.4	165.3	-155.3	-86.9	0	0	0	111.1	P68 S69 V161 Y169 V263	P68-F261 HydrophobicContact CB-CD1 3.45Å; P68-F261 VanDerWaalsContact CB-CD1 3.45Å; P68-F261 HydrophobicContact CB-CE1 3.47Å; P68-F261 VanDerWaalsContact CB-CE1 3.47Å; P68-F261 HydrophobicContact CG-CD1 3.81Å; P68-F261 HydrophobicContact CG-CE1 3.71Å; S69-F261 PolarHBondContact N-O 3.03Å; V161-F261 HydrophobicContact CB-CZ 4.32Å; V161-F261 HydrophobicContact CG1-CZ 4.42Å; V161-F261 HydrophobicContact CG2-CE1 4.23Å; V161-F261 HydrophobicContact CG2-CZ 4.49Å; Y169-F261 AromaticContact CD1-CE2 3.49Å; Y169-F261 HydrophobicContact CD1-CE2 3.49Å; Y169-F261 VanDerWaalsContact CD1-CE2 3.49Å; Y169-F261 AromaticContact CD1-CZ 3.99Å; Y169-F261 HydrophobicContact CD1-CZ 3.99Å; Y169-F261 HydrophobicContact CD2-CE2 4.02Å; Y169-F261 AromaticContact CD2-CZ 3.92Å; Y169-F261 HydrophobicContact CD2-CZ 3.92Å; Y169-F261 AromaticContact CE1-CE2 3.74Å; Y169-F261 HydrophobicContact CE1-CE2 3.74Å; Y169-F261 HydrophobicContact CE2-CE2 4.26Å; Y169-F261 AromaticContact CG-CE2 3.64Å; Y169-F261 HydrophobicContact CG-CE2 3.64Å; Y169-F261 AromaticContact CG-CZ 3.65Å; Y169-F261 HydrophobicContact CG-CZ 3.65Å; F261-V263 HydrophobicContact CD1-CG2 3.68Å; F261-V263 HydrophobicContact CE1-CG2 3.59Å; F261-V263 HydrophobicContact CG-CG2 4.23Å; F261-V263 HydrophobicContact CZ-CG2 4.06Å; F261-V263 PolarHBondContact O-N 2.82Å; F261-V263 VanDerWaalsContact O-N 3.15Å
262	K	45.9	Very low	52.5	Low	123 Å²	123	90 Å²	90	54%	0.535	48%	0.484	S	S	.	.			trans	-80.3	80.6	162.3	-159.1	-176.4	-166.8	-176.5	0	105.7	D260 N264	D260-K262 HydrophobicContact CB-CB 4.3Å; D260-K262 PolarHBondContact O-N 2.79Å; K262-N264 HydrophobicContact CD-CB 4.49Å; K262-N264 WeakPolarHBondContact CE-ND2 3.07Å; K262-N264 WeakPolarHBondContact CE-OD1 3.33Å; K262-N264 HydrophobicContact CG-CB 4.13Å; K262-N264 WeakPolarHBondContact CG-OD1 3.44Å; K262-N264 PolarHBondContact O-N 3.09Å
263	V	49.4	Very low	49.6	Very low	22 Å²	22	96.7 Å²	96.7	13%	0.133	52%	0.519	C	S	.	.			trans	-69.7	73.6	166.4	-179.4	0	0	0	0	105.9	L138 F261 S265	L138-V263 HydrophobicContact CD2-CG1 3.18Å; F261-V263 HydrophobicContact CD1-CG2 3.68Å; F261-V263 HydrophobicContact CE1-CG2 3.59Å; F261-V263 HydrophobicContact CG-CG2 4.23Å; F261-V263 HydrophobicContact CZ-CG2 4.06Å; F261-V263 PolarHBondContact O-N 2.82Å; F261-V263 VanDerWaalsContact O-N 3.15Å; V263-S265 WeakPolarHBondContact CG1-OG 3.24Å; V263-S265 PolarHBondContact O-N 3.03Å; V263-S265 VanDerWaalsContact O-N 3.12Å
264	N	45	Very low	46.7	Very low	69 Å²	69	102.6 Å²	102.6	37%	0.369	56%	0.555	S	S	.	*			trans	-78.5	16.1	-177.2	-117.3	22	0	0	0	111.8	K262 C266 Q267	K262-N264 HydrophobicContact CD-CB 4.49Å; K262-N264 WeakPolarHBondContact CE-ND2 3.07Å; K262-N264 WeakPolarHBondContact CE-OD1 3.33Å; K262-N264 HydrophobicContact CG-CB 4.13Å; K262-N264 WeakPolarHBondContact CG-OD1 3.44Å; K262-N264 PolarHBondContact O-N 3.09Å; N264-C266 PolarHBondContact O-N 2.91Å; N264-Q267 PolarHBondContact O-N 2.79Å; N264-Q267 VanDerWaalsContact O-N 3.11Å
265	S	52.5	Low	44.3	Very low	34 Å²	34	107.7 Å²	107.7	24%	0.238	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-10.9	-171.6	-1.2	0	0	0	0	114.5	N137 L138 V263	N137-S265 WeakPolarHBondContact ND2-CB 3.09Å; N137-S265 PolarHBondContact ND2-O 3.04Å; N137-S265 WeakPolarHBondContact OD1-CB 3.09Å; L138-S265 WeakPolarHBondContact CD2-OG 3.39Å; V263-S265 WeakPolarHBondContact CG1-OG 3.24Å; V263-S265 PolarHBondContact O-N 3.03Å; V263-S265 VanDerWaalsContact O-N 3.12Å
266	C	59.4	Low	42.1	Very low	39 Å²	39	108.8 Å²	108.8	26%	0.264	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-11.3	178.5	-69.5	0	0	0	0	113.2	N71 C72 N264 I268	N71-C266 WeakPolarHBondContact O-CB 3.49Å; C72-C266 HydrophobicContact CB-CB 3.85Å; C72-C266 WeakPolarHBondContact CB-SG 3.23Å; C72-C266 WeakPolarHBondContact SG-CB 3.43Å; C72-C266 CovalentContact SG-SG 2Å; C72-C266 PolarHBondContact SG-SG 3.17Å; N264-C266 PolarHBondContact O-N 2.91Å; C266-I268 PolarHBondContact O-N 2.83Å
267	Q	46.8	Very low	40.6	Very low	144 Å²	144	109.2 Å²	109.2	67%	0.673	60%	0.603	S	S	*	*			trans	-77.5	90	154.5	-60.9	-143.8	-7.1	0	0	107	N264 E269	N264-Q267 PolarHBondContact O-N 2.79Å; N264-Q267 VanDerWaalsContact O-N 3.11Å; Q267-E269 PolarHBondContact O-N 2.85Å
268	I	39.1	Very low	39.7	Very low	129 Å²	129	109.6 Å²	109.6	66%	0.662	61%	0.61	S	S	*	*			trans	-57.8	96.9	150	-57.8	170.3	0	0	0	103	C266 N270	C266-I268 PolarHBondContact O-N 2.83Å; I268-N270 PolarHBondContact O-N 3.01Å
269	E	30.3	Very low	38.5	Very low	170 Å²	170	109.3 Å²	109.3	79%	0.794	61%	0.614	S	S	*	*			trans	-53.6	105.3	150.4	-77	-165.4	170.1	0	0	102.7	Q267 S271	Q267-E269 PolarHBondContact O-N 2.85Å; E269-S271 PolarHBondContact O-N 2.73Å
270	N	28.8	Very low	37.6	Very low	141 Å²	141	107.2 Å²	107.2	75%	0.754	61%	0.609	S	S	*	*			trans	-49.8	100.7	157	-97.8	4	0	0	0	102.5	I268 S272	I268-N270 PolarHBondContact O-N 3.01Å; N270-S272 PolarHBondContact O-N 3.3Å
271	S	32.1	Very low	36.5	Very low	112 Å²	112	109 Å²	109	78%	0.783	62%	0.617	S	S	*	*			trans	-59.5	88	158	54.9	0	0	0	0	102.7	E269 N273	E269-S271 PolarHBondContact O-N 2.73Å; S271-N273 PolarHBondContact O-N 3.32Å
272	S	34.5	Very low	35	Very low	106 Å²	106	112.9 Å²	112.9	74%	0.741	64%	0.644	S	S	*	*			trans	-51.6	125.4	176.9	39.1	0	0	0	0	105.2	N270 V274	N270-S272 PolarHBondContact O-N 3.3Å; S272-V274 PolarHBondContact O-N 3.01Å
273	N	31.3	Very low	34	Very low	146 Å²	146	113.2 Å²	113.2	78%	0.781	66%	0.656	S	S	*	*			trans	-9.7	122.4	172.5	-68.1	-29.9	0	0	0	114.5	S271 N275	S271-N273 PolarHBondContact O-N 3.32Å; N273-N275 PolarHBondContact O-N 3.48Å
274	V	28.4	Very low	32.6	Very low	132 Å²	132	120 Å²	120	80%	0.8	69%	0.686	S	S	*	*			trans	-32.5	106	142.5	177.9	0	0	0	0	108.9	S272	S272-V274 PolarHBondContact O-N 3.01Å
275	N	32.2	Very low	31.5	Very low	150 Å²	150	125.3 Å²	125.3	80%	0.802	71%	0.709	S	S	*	*			trans	-134.5	86.3	155	-107.5	5.1	0	0	0	107.5	N273	N273-N275 PolarHBondContact O-N 3.48Å
276	V	28.4	Very low	30	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.636	73%	0.732	S	S	*	*			trans	31	107.5	130.4	-175.6	0	0	0	0	114.9	T278	V276-T278 PolarHBondContact O-N 3.19Å; V276-T278 VanDerWaalsContact O-N 3.1Å
277	S	24.5	Very low	28.1	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	76%	0.758	S	S	*	*			trans	-25.8	109.5	149.7	-174.8	0	0	0	0	112
278	T	29.5	Very low	26.9	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	76%	0.759	S	S	*	*			trans	-124.1	107.5	157.9	-43.8	0	0	0	0	107.2	V276	V276-T278 PolarHBondContact O-N 3.19Å; V276-T278 VanDerWaalsContact O-N 3.1Å
279	T	25.6	Very low	26.1	Very low	116 Å²	116	130.2 Å²	130.2	71%	0.712	76%	0.762	S	S	*	*			trans	-52.5	145.5	171.2	-23.7	0	0	0	0	109.7	I281	T279-I281 PolarHBondContact O-N 2.68Å
280	P	26.3	Very low	25.9	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	76%	0.763	S	S	*	*			trans	-78.8	127.7	-155.7	12.1	-0.9	0	0	0	112.4
281	I	24.6	Very low	25.6	Very low	156 Å²	156	135.1 Å²	135.1	80%	0.8	77%	0.77	S	S	*	*			trans	-91.8	109.3	158.2	-62	177	0	0	0	107.2	T279 V283	T279-I281 PolarHBondContact O-N 2.68Å; I281-V283 HydrophobicContact CG2-CG2 4.43Å; I281-V283 PolarHBondContact O-N 2.63Å
282	V	21.2	Very low	25.5	Very low	128 Å²	128	134.9 Å²	134.9	78%	0.776	76%	0.764	S	S	*	*			trans	-70	112.8	166.7	174.8	0	0	0	0	108
283	V	24.6	Very low	25.4	Very low	131 Å²	131	133.4 Å²	133.4	79%	0.794	75%	0.754	S	S	*	*			trans	-138.3	110	146.2	-177.3	0	0	0	0	108.3	I281	I281-V283 HydrophobicContact CG2-CG2 4.43Å; I281-V283 PolarHBondContact O-N 2.63Å
284	E	19.8	Very low	25.6	Very low	163 Å²	163	134.8 Å²	134.8	76%	0.762	76%	0.756	S	S	*	*			trans	-57.1	130.6	165.9	-170.4	-178.8	-168.9	0	0	111
285	Q	21.7	Very low	26.1	Very low	181 Å²	181	132.1 Å²	132.1	85%	0.846	74%	0.743	S	S	*	*				165.9	139.7	124.6	-92.3	178.1	-32.7	0	0	114.2
286	A	21.5	Very low	26.3	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	73%	0.734	S	S	*	*			trans	78.2	89.2	146.1	0	0	0	0	0	120
287	T	19.7	Very low	26.9	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	74%	0.737	S	S	*	*				31.8	130.7	116.2	-11.6	0	0	0	0	120.4
288	T	21.5	Very low	27.3	Very low	113 Å²	113	136 Å²	136	69%	0.693	73%	0.733	S	S	*	*			trans	122.1	110.3	132.4	-49.3	0	0	0	0	114.9
289	T	22.5	Very low	27.7	Very low	115 Å²	115	136.1 Å²	136.1	71%	0.706	73%	0.728	S	S	*	*				44.6	126.7	126.9	-38.1	0	0	0	0	116.6
290	Q	25.4	Very low	28.4	Very low	177 Å²	177	138 Å²	138	83%	0.827	73%	0.729	S	S	*	*				-172	149.8	54.9	-157.2	161.7	-16.2	0	0	110.4
291	R	22.7	Very low	28.7	Very low	237 Å²	237	139.5 Å²	139.5	89%	0.894	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-62.3	118.6	176.6	-165.8	-178.6	-156.5	155.5	2.3	111.6
292	T	30.4	Very low	29.2	Very low	107 Å²	107	139.6 Å²	139.6	66%	0.656	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-74.8	124.8	168.5	-33	0	0	0	0	109.1	E296	T292-E296 WeakPolarHBondContact CG2-OE2 3.36Å
293	S	30.9	Very low	29.7	Very low	76 Å²	76	144.1 Å²	144.1	53%	0.531	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-85.2	152	-172.2	48	0	0	0	0	112.8	S295 E296	S293-S295 PolarHBondContact O-N 2.85Å; S293-S295 PolarHBondContact OG-OG 3.04Å; S293-E296 PolarHBondContact O-N 2.8Å
294	E	36.9	Very low	29.9	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	3.1	-177.5	-150.8	169.6	-178.4	0	0	116.1
295	S	39.1	Very low	30.4	Very low	76 Å²	76	142.8 Å²	142.8	53%	0.531	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-19	176.2	54.6	0	0	0	0	114.2	S293	S293-S295 PolarHBondContact O-N 2.85Å; S293-S295 PolarHBondContact OG-OG 3.04Å
296	E	36.5	Very low	30.6	Very low	133 Å²	133	143.1 Å²	143.1	62%	0.621	73%	0.73	S	S	*	*	S	Bend	trans	-79.7	-31.2	177.7	-71.8	-174.9	163.3	0	0	112.5	T292 S293 R298 N299	T292-E296 WeakPolarHBondContact CG2-OE2 3.36Å; S293-E296 PolarHBondContact O-N 2.8Å; E296-R298 VanDerWaalsContact C-N 3.25Å; E296-R298 PolarHBondContact O-N 2.96Å; E296-N299 PolarHBondContact O-N 2.79Å
297	L	39.3	Very low	30.9	Very low	135 Å²	135	147.7 Å²	147.7	71%	0.707	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-20.6	177.1	-86.1	149.9	0	0	0	113.5
298	R	32.7	Very low	31.2	Very low	181 Å²	181	146.7 Å²	146.7	68%	0.683	74%	0.735	S	S	*	*	H	α-helix	trans	-80.2	-18.5	-177.9	-151.3	170.3	-171.7	-97.8	-1.3	113.4	E296	E296-R298 VanDerWaalsContact C-N 3.25Å; E296-R298 PolarHBondContact O-N 2.96Å
299	N	39.3	Very low	31.2	Very low	125 Å²	125	150.1 Å²	150.1	67%	0.668	74%	0.743	S	S	*	*	H	α-helix	trans	-91	-14.5	-177.5	-75.8	-14.7	0	0	0	114.4	E296	E296-N299 PolarHBondContact O-N 2.79Å
300	E	40.5	Very low	31.3	Very low	155 Å²	155	149.1 Å²	149.1	72%	0.724	74%	0.741	S	S	*	*	H	α-helix	trans	-84.5	-24.9	173	-83.7	-168.2	142	0	0	113
301	L	31.7	Very low	31.2	Very low	145 Å²	145	148.5 Å²	148.5	76%	0.759	74%	0.737	S	S	*	*	H	α-helix	trans	-78.7	-29.8	-177	-133	77.7	0	0	0	113.3	R303	L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.32Å
302	E	35.6	Very low	31.2	Very low	157 Å²	157	145.3 Å²	145.3	73%	0.734	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	6.8	179.6	-80.3	-174.6	172.9	0	0	114.5
303	R	31.7	Very low	30.7	Very low	223 Å²	223	147.3 Å²	147.3	84%	0.842	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	10	176.3	-147.1	179.7	70.2	145.4	-1.8	115.1	L301	L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.32Å
304	T	28.9	Very low	30.2	Very low	115 Å²	115	149 Å²	149	71%	0.706	76%	0.756	S	S	*	*	S	Bend	trans	-117.7	-1.5	-177.8	-32.5	0	0	0	0	114.3	Q306	T304-Q306 PolarHBondContact O-N 3.43Å
305	D	29.6	Very low	29.7	Very low	151 Å²	151	146.1 Å²	146.1	81%	0.807	76%	0.755	S	S	*	*	S	Bend	trans	-95	62.5	169.8	-77.8	-23.1	0	0	0	111.1
306	Q	26.6	Very low	28.9	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	77%	0.771	S	S	*	*			trans	179.2	75	160.1	-104.1	167.2	26.3	0	0	112.7	T304	T304-Q306 PolarHBondContact O-N 3.43Å
307	Q	28.4	Very low	28.4	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	78%	0.779	S	S	*	*			trans	-168.3	92.4	144.1	-120.5	169.1	-32.6	0	0	108
308	S	25.7	Very low	27.5	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	78%	0.784	S	S	*	*				70.3	104.9	104.1	-65.1	0	0	0	0	113.1
309	E	20.9	Very low	27.2	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	79%	0.788	S	S	*	*			trans	-39.9	152.8	150.9	-63.7	172.5	138.3	0	0	112.5
310	S	23.8	Very low	26.4	Very low	94 Å²	94	147 Å²	147	66%	0.657	79%	0.788	S	S	*	*			trans	94.6	127.4	161.5	79.4	0	0	0	0	118.3
311	H	23.3	Very low	25.5	Very low	164 Å²	164	145 Å²	145	76%	0.759	79%	0.787	S	S	*	*			trans	84.2	98.3	160.7	-50.7	-68.9	0	0	0	117.6
312	L	23.1	Very low	25	Very low	171 Å²	171	144.5 Å²	144.5	90%	0.895	79%	0.79	S	S	*	*				173	129.8	93	-89.2	162.5	0	0	0	112.5
313	N	20.1	Very low	24.3	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	79%	0.787	S	S	*	*			trans	-60.5	151.2	159.7	-96.1	-15.9	0	0	0	112
314	S	20.9	Very low	24	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	79%	0.789	S	S	*	*			trans	62.6	119.3	156.3	69.2	0	0	0	0	118.2
315	S	26.2	Very low	23.5	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	79%	0.788	S	S	*	*				-164.2	125.5	125.4	-78.6	0	0	0	0	110.4	V317	S315-V317 PolarHBondContact O-N 3.32Å
316	N	21.7	Very low	23.1	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	78%	0.781	S	S	*	*			trans	-56.6	123.5	170	-66.7	-32.2	0	0	0	110.1	N318	N316-N318 PolarHBondContact O-N 3.31Å
317	V	26.1	Very low	22.9	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	78%	0.779	S	S	*	*			trans	-88.4	96.4	160.8	-179.1	0	0	0	0	107.3	S315 V319	S315-V317 PolarHBondContact O-N 3.32Å; V317-V319 HydrophobicContact CG1-CG2 3.96Å; V317-V319 PolarHBondContact O-N 2.78Å
318	N	21.7	Very low	22.5	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	78%	0.782	S	S	*	*			trans	-59.4	114.4	157.5	-103.6	-1.7	0	0	0	108.3	N316	N316-N318 PolarHBondContact O-N 3.31Å
319	V	26.1	Very low	22.3	Very low	127 Å²	127	137.3 Å²	137.3	77%	0.77	78%	0.781	S	S	*	*			trans	-120.2	99.7	149.9	-176.3	0	0	0	0	107.2	V317	V317-V319 HydrophobicContact CG1-CG2 3.96Å; V317-V319 PolarHBondContact O-N 2.78Å
320	S	22.1	Very low	22.3	Very low	96 Å²	96	135.1 Å²	135.1	67%	0.671	78%	0.781	S	S	*	*			trans	-64.8	128.1	166.4	171.7	0	0	0	0	109.9
321	T	20.6	Very low	22.3	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	79%	0.786	S	S	*	*			trans	11.1	118.7	138.5	2.7	0	0	0	0	118.1
322	T	22	Very low	22.3	Very low	135 Å²	135	134.7 Å²	134.7	83%	0.828	79%	0.786	S	S	*	*				-150.3	127.7	118.1	-24	0	0	0	0	109.9
323	P	21.4	Very low	22.7	Very low	103 Å²	103	131.9 Å²	131.9	67%	0.669	78%	0.778	S	S	*	*			trans	-77	130.8	-179.5	-7.3	23.9	0	0	0	111.6	V325	P323-V325 PolarHBondContact O-N 3.22Å
324	I	23.9	Very low	23.1	Very low	170 Å²	170	128 Å²	128	87%	0.872	77%	0.772	S	S	*	*			trans	-78.7	111.1	166.8	-64.3	175.3	0	0	0	107.9
325	V	19.8	Very low	23.6	Very low	114 Å²	114	128.4 Å²	128.4	69%	0.691	77%	0.765	S	S	*	*			trans	-83.8	152.6	168.8	-174.5	0	0	0	0	108.3	P323	P323-V325 PolarHBondContact O-N 3.22Å
326	V	20.6	Very low	24.4	Very low	109 Å²	109	125.2 Å²	125.2	66%	0.661	74%	0.742	S	S	*	*			trans	90.9	118.9	162.2	-164.5	0	0	0	0	113.1
327	K	22.5	Very low	25.2	Very low	193 Å²	193	126 Å²	126	84%	0.839	74%	0.741	S	S	*	*			cis	-155.2	133.3	35.3	-130.9	148.3	-156.6	-175.5	0	110.3	A329	K327-A329 PolarHBondContact O-N 3.35Å
328	Q	20	Very low	26.2	Very low	199 Å²	199	123.1 Å²	123.1	93%	0.93	73%	0.727	S	S	*	*			trans	-61.3	127.3	168.5	-76.1	164.1	-56.8	0	0	110.4
329	A	21.6	Very low	27.4	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	71%	0.711	S	S	*	*			trans	-96.3	127.2	154.3	0	0	0	0	0	108.2	K327 T331	K327-A329 PolarHBondContact O-N 3.35Å; A329-T331 PolarHBondContact O-N 3.16Å
330	T	20.6	Very low	28.3	Very low	140 Å²	140	120 Å²	120	86%	0.859	70%	0.702	S	S	*	*			trans	-28.2	105.5	176.9	-31.5	0	0	0	0	115.1
331	T	23.9	Very low	29.3	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	70%	0.699	S	S	*	*			trans	-87.1	122.4	154.7	-44.4	0	0	0	0	107.2	A329 P333	A329-T331 PolarHBondContact O-N 3.16Å; T331-P333 WeakPolarHBondContact O-CD 3.43Å
332	T	23.9	Very low	30.6	Very low	124 Å²	124	122.7 Å²	122.7	76%	0.761	69%	0.692	S	S	*	*			trans	-45.5	118	165.9	-53.1	0	0	0	0	109.1	G334	T332-G334 PolarHBondContact O-N 2.67Å
333	P	30.9	Very low	32	Very low	111 Å²	111	122 Å²	122	72%	0.721	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.4	-178.2	-18.1	30.9	0	0	0	109.6	T331	T331-P333 WeakPolarHBondContact O-CD 3.43Å
334	G	29.9	Very low	32.9	Very low	66 Å²	66	122.8 Å²	122.8	68%	0.68	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.7	160.8	0	0	0	0	0	108.7	T332 S336	T332-G334 PolarHBondContact O-N 2.67Å; G334-S336 PolarHBondContact O-N 3.42Å; G334-S336 VanDerWaalsContact O-N 3.13Å
335	I	31.3	Very low	34	Very low	121 Å²	121	119.2 Å²	119.2	62%	0.621	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-48.3	118.4	-178.5	-60.5	168.6	0	0	0	108.9	E339 L340	I335-E339 HydrophobicContact CG2-CB 3.78Å; I335-L340 HydrophobicContact CG2-CD1 3.88Å
336	S	41.3	Very low	35	Very low	48 Å²	48	121.7 Å²	121.7	34%	0.336	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-72.7	150.3	178.2	60	0	0	0	0	110.2	G334 S338 E339 L340	G334-S336 PolarHBondContact O-N 3.42Å; G334-S336 VanDerWaalsContact O-N 3.13Å; S336-S338 PolarHBondContact O-N 2.98Å; S336-S338 PolarHBondContact OG-OG 2.94Å; S336-E339 PolarHBondContact N-OE2 2.8Å; S336-E339 WeakPolarHBondContact O-CB 3.26Å; S336-E339 PolarHBondContact O-N 2.78Å; S336-E339 PolarHBondContact OG-OE2 2.83Å; S336-L340 PolarHBondContact O-N 3.44Å
337	E	38.7	Very low	36	Very low	179 Å²	179	120.3 Å²	120.3	84%	0.836	65%	0.646	S	S	*	*	H	α-helix	trans	-55.4	-26.8	178	-163	177.3	179.4	0	0	112.5	R341	E337-R341 WeakPolarHBondContact O-CB 3.4Å; E337-R341 PolarHBondContact O-N 3.27Å
338	S	48.3	Very low	36.9	Very low	71 Å²	71	116 Å²	116	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-68.9	-34.3	171.4	41.2	0	0	0	0	114.3	S336 R341 N342	S336-S338 PolarHBondContact O-N 2.98Å; S336-S338 PolarHBondContact OG-OG 2.94Å; S338-R341 PolarHBondContact O-N 2.83Å; S338-N342 VanDerWaalsContact O-CG 3.28Å; S338-N342 PolarHBondContact O-N 2.81Å; S338-N342 PolarHBondContact O-ND2 3.48Å
339	E	45.7	Very low	37.8	Very low	102 Å²	102	113.1 Å²	113.1	48%	0.477	62%	0.619	S	S	.	*	H	α-helix	trans	-72.5	-38.3	174.2	-77.6	163	138.5	0	0	111	I335 S336 R341 N342 E343	I335-E339 HydrophobicContact CG2-CB 3.78Å; S336-E339 PolarHBondContact N-OE2 2.8Å; S336-E339 WeakPolarHBondContact O-CB 3.26Å; S336-E339 PolarHBondContact O-N 2.78Å; S336-E339 PolarHBondContact OG-OE2 2.83Å; E339-R341 VanDerWaalsContact C-N 3.27Å; E339-R341 PolarHBondContact O-N 2.9Å; E339-N342 PolarHBondContact O-N 2.88Å; E339-E343 PolarHBondContact O-N 2.86Å
340	L	45.4	Very low	38.5	Very low	111 Å²	111	114.5 Å²	114.5	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-61.3	-38.8	172.1	-130.6	94.8	0	0	0	111.2	I335 S336 L344	I335-L340 HydrophobicContact CG2-CD1 3.88Å; S336-L340 PolarHBondContact O-N 3.44Å; L340-L344 WeakPolarHBondContact O-CB 3.21Å; L340-L344 PolarHBondContact O-N 2.88Å
341	R	43.6	Very low	39.2	Very low	163 Å²	163	111.1 Å²	111.1	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-67.3	-39.8	176.7	-157.6	179.3	-147.8	-92.3	4.3	112.4	E337 S338 E339 L344 E345	E337-R341 WeakPolarHBondContact O-CB 3.4Å; E337-R341 PolarHBondContact O-N 3.27Å; S338-R341 PolarHBondContact O-N 2.83Å; E339-R341 VanDerWaalsContact C-N 3.27Å; E339-R341 PolarHBondContact O-N 2.9Å; R341-L344 PolarHBondContact O-N 3.16Å; R341-E345 IonicContact NH1-OE1 2.77Å; R341-E345 PolarHBondContact NH1-OE1 2.92Å; R341-E345 VanDerWaalsContact NH1-OE1 3.12Å; R341-E345 PolarHBondContact O-N 2.97Å
342	N	47.9	Very low	39.9	Very low	102 Å²	102	112 Å²	112	55%	0.545	59%	0.587	S	S	.	*	H	α-helix	trans	-70.1	-35.5	177	-73.2	-15.5	0	0	0	112.3	S338 E339 R346	S338-N342 VanDerWaalsContact O-CG 3.28Å; S338-N342 PolarHBondContact O-N 2.81Å; S338-N342 PolarHBondContact O-ND2 3.48Å; E339-N342 PolarHBondContact O-N 2.88Å; N342-R346 WeakPolarHBondContact O-CB 3.44Å; N342-R346 PolarHBondContact O-N 3.3Å
343	E	50.7	Low	40.3	Very low	119 Å²	119	109.9 Å²	109.9	56%	0.556	58%	0.577	S	S	*	*	H	α-helix	trans	-67.7	-37.4	172.2	-99.7	-161.8	151.7	0	0	112.2	E339 R346 T347	E339-E343 PolarHBondContact O-N 2.86Å; E343-R346 PolarHBondContact O-N 3.24Å; E343-T347 WeakPolarHBondContact O-CB 3.36Å; E343-T347 PolarHBondContact O-N 3.27Å; E343-T347 PolarHBondContact O-OG1 2.85Å
344	L	40.9	Very low	40.5	Very low	120 Å²	120	111.8 Å²	111.8	63%	0.628	58%	0.576	S	S	*	*	H	α-helix	trans	-65.9	-45.2	176	-149.5	78	0	0	0	111.3	L340 R341 R346 T347 D348	L340-L344 WeakPolarHBondContact O-CB 3.21Å; L340-L344 PolarHBondContact O-N 2.88Å; R341-L344 PolarHBondContact O-N 3.16Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.09Å; L344-T347 PolarHBondContact O-N 2.85Å; L344-D348 PolarHBondContact O-N 3.17Å
345	E	46.1	Very low	40.5	Very low	96 Å²	96	115.8 Å²	115.8	45%	0.449	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-34.1	175.2	-77.5	-180	-171.6	0	0	112.2	R341 D348 Q349	R341-E345 IonicContact NH1-OE1 2.77Å; R341-E345 PolarHBondContact NH1-OE1 2.92Å; R341-E345 VanDerWaalsContact NH1-OE1 3.12Å; R341-E345 PolarHBondContact O-N 2.97Å; E345-D348 PolarHBondContact O-N 3.17Å; E345-Q349 PolarHBondContact O-N 3.38Å
346	R	40.6	Very low	40.3	Very low	165 Å²	165	117.5 Å²	117.5	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-70.3	-33.2	174.8	-161.8	175.6	81.2	138.4	0.8	112.4	N342 E343 L344 Q350	N342-R346 WeakPolarHBondContact O-CB 3.44Å; N342-R346 PolarHBondContact O-N 3.3Å; E343-R346 PolarHBondContact O-N 3.24Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.09Å; R346-Q350 WeakPolarHBondContact O-CB 3.16Å; R346-Q350 PolarHBondContact O-N 2.78Å
347	T	42.8	Very low	39.7	Very low	81 Å²	81	124 Å²	124	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-73.4	-33.4	177.9	-50.4	0	0	0	0	111.5	E343 L344 S351	E343-T347 WeakPolarHBondContact O-CB 3.36Å; E343-T347 PolarHBondContact O-N 3.27Å; E343-T347 PolarHBondContact O-OG1 2.85Å; L344-T347 PolarHBondContact O-N 2.85Å; T347-S351 WeakPolarHBondContact O-CB 3.19Å; T347-S351 PolarHBondContact O-N 2.84Å; T347-S351 VanDerWaalsContact O-N 3.09Å; T347-S351 PolarHBondContact O-OG 3.48Å
348	D	40.9	Very low	39.2	Very low	101 Å²	101	121.5 Å²	121.5	54%	0.54	62%	0.616	S	S	.	*	H	α-helix	trans	-70.7	-42	172.8	-80.1	-18.4	0	0	0	111.9	L344 E345 Q350 S351 E352	L344-D348 PolarHBondContact O-N 3.17Å; E345-D348 PolarHBondContact O-N 3.17Å; D348-Q350 PolarHBondContact O-N 2.88Å; D348-S351 PolarHBondContact O-N 2.75Å; D348-E352 PolarHBondContact O-N 2.74Å
349	Q	39.2	Very low	38.3	Very low	139 Å²	139	128.1 Å²	128.1	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-65.5	-35.9	174.3	-79.7	-176	-13.9	0	0	113.3	E345 S351 E352 S353	E345-Q349 PolarHBondContact O-N 3.38Å; Q349-S351 VanDerWaalsContact C-N 3.31Å; Q349-E352 PolarHBondContact O-N 3.04Å; Q349-S353 PolarHBondContact O-N 2.92Å; Q349-S353 VanDerWaalsContact O-N 3.14Å
350	Q	35	Very low	37.4	Very low	121 Å²	121	132 Å²	132	57%	0.565	65%	0.654	S	S	*	*	H	α-helix	trans	-69.2	-32.4	175.4	-167.2	169.1	-13.8	0	0	111.5	R346 D348 S353 H354	R346-Q350 WeakPolarHBondContact O-CB 3.16Å; R346-Q350 PolarHBondContact O-N 2.78Å; D348-Q350 PolarHBondContact O-N 2.88Å; Q350-S353 PolarHBondContact O-OG 2.84Å; Q350-H354 PolarHBondContact O-CD2 2.85Å
351	S	37.3	Very low	36.8	Very low	69 Å²	69	132 Å²	132	48%	0.483	66%	0.661	S	S	.	*	H	α-helix	trans	-74.8	-32	174.9	-61.5	0	0	0	0	113.2	T347 D348 Q349	T347-S351 WeakPolarHBondContact O-CB 3.19Å; T347-S351 PolarHBondContact O-N 2.84Å; T347-S351 VanDerWaalsContact O-N 3.09Å; T347-S351 PolarHBondContact O-OG 3.48Å; D348-S351 PolarHBondContact O-N 2.75Å; Q349-S351 VanDerWaalsContact C-N 3.31Å
352	E	36.8	Very low	36.1	Very low	142 Å²	142	131 Å²	131	66%	0.664	67%	0.673	S	S	*	*	H	α-helix	trans	-73.8	-30.2	174.8	-79.8	-172.4	151.8	0	0	113.3	D348 Q349 H354 L355	D348-E352 PolarHBondContact O-N 2.74Å; Q349-E352 PolarHBondContact O-N 3.04Å; E352-H354 PolarHBondContact O-N 2.81Å; E352-L355 PolarHBondContact O-N 2.88Å
353	S	33.5	Very low	35	Very low	80 Å²	80	134.9 Å²	134.9	56%	0.559	69%	0.688	S	S	*	*	H	α-helix	trans	-63.9	-23.5	178.5	79.7	0	0	0	0	113.6	Q349 Q350	Q349-S353 PolarHBondContact O-N 2.92Å; Q349-S353 VanDerWaalsContact O-N 3.14Å; Q350-S353 PolarHBondContact O-OG 2.84Å
354	H	33.7	Very low	34	Very low	152 Å²	152	136 Å²	136	70%	0.704	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-1.4	-178.8	-79.2	-71.1	0	0	0	114.7	Q350 E352	Q350-H354 PolarHBondContact O-CD2 2.85Å; E352-H354 PolarHBondContact O-N 2.81Å
355	L	31.5	Very low	33.4	Very low	149 Å²	149	137.6 Å²	137.6	78%	0.78	71%	0.707	S	S	*	*			trans	-122.7	8.6	-173.7	-77.4	164.4	0	0	0	115.7	E352 M357	E352-L355 PolarHBondContact O-N 2.88Å; L355-M357 PolarHBondContact O-N 2.93Å
356	N	25.8	Very low	32.6	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	72%	0.722	S	S	*	*			trans	-79.7	81.2	170.1	-82.2	-16.1	0	0	0	111.7
357	M	30.2	Very low	32.1	Very low	183 Å²	183	137.1 Å²	137.1	90%	0.901	73%	0.731	S	S	*	*			trans	-118.2	110.2	154.4	-147.3	-169.9	-163.8	0	0	109.7	L355	L355-M357 PolarHBondContact O-N 2.93Å
358	T	26.6	Very low	31.7	Very low	127 Å²	127	143.1 Å²	143.1	78%	0.779	75%	0.75	S	S	*	*			trans	-17.1	124.6	167.2	-46.4	0	0	0	0	116.6
359	K	30.1	Very low	31.5	Very low	210 Å²	210	147.5 Å²	147.5	91%	0.913	77%	0.765	S	S	*	*			trans	-159.7	127.2	134.6	-109.6	168.6	-173	-179.5	0	112.2
360	E	26.4	Very low	32	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	77%	0.767	S	S	*	*			trans	-64	169.9	177.5	-108	-173.1	140.1	0	0	114.5
361	P	32.6	Very low	32.4	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	77%	0.765	S	S	*	*			trans	-94.1	162.9	-150.1	38	-37.5	0	0	0	114
362	T	29.5	Very low	33.2	Very low	142 Å²	142	147.3 Å²	147.3	87%	0.871	77%	0.77	S	S	*	*			trans	-137.8	112.2	156.4	-32.8	0	0	0	0	108.2
363	E	25.9	Very low	33.9	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	77%	0.768	S	S	*	*			trans	-56.5	138.2	158.7	-73.9	173.4	125.4	0	0	109.6
364	D	29.3	Very low	34.9	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	77%	0.767	S	S	*	*				175.8	151.3	109.2	-167.6	22.7	0	0	0	110.7
365	N	27.5	Very low	36	Very low	152 Å²	152	144.1 Å²	144.1	81%	0.813	76%	0.759	S	S	*	*			trans	-60.3	155.8	-170.1	-62.8	-67.8	0	0	0	116
366	G	29.4	Very low	37.6	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	74%	0.743	S	S	*	*			trans	171	90.5	162.6	0	0	0	0	0	114.7	K368	G366-K368 PolarHBondContact O-N 2.94Å
367	H	31	Very low	39.6	Very low	177 Å²	177	137.7 Å²	137.7	82%	0.819	73%	0.728	S	S	*	*			trans	-38.4	117.1	168.2	-99.4	-34.5	0	0	0	114.5
368	K	33	Very low	41.6	Very low	207 Å²	207	132.9 Å²	132.9	90%	0.9	71%	0.705	S	S	*	*			trans	-140.5	67.5	152.4	-108.8	178.6	-177.5	175	0	110.8	G366 S370	G366-K368 PolarHBondContact O-N 2.94Å; K368-S370 PolarHBondContact O-N 3.14Å
369	K	38	Very low	43.8	Very low	194 Å²	194	130.1 Å²	130.1	84%	0.843	69%	0.689	S	S	*	*			trans	-76.4	89.8	161.8	-85.9	-177	176.6	177.5	0	108.5
370	S	48.6	Very low	45.8	Very low	100 Å²	100	123 Å²	123	70%	0.699	66%	0.662	S	S	*	*	S	Bend	trans	171.4	94.1	158.2	165.7	0	0	0	0	107.5	K368	K368-S370 PolarHBondContact O-N 3.14Å
371	N	44	Very low	48.1	Very low	98 Å²	98	117.6 Å²	117.6	52%	0.524	64%	0.642	S	S	.	*	S	Bend	trans	170.6	-5.6	157.1	-87	-6.4	0	0	0	111.8	S373 L374 H375	N371-S373 VanDerWaalsContact C-N 3.34Å; N371-S373 PolarHBondContact O-N 2.95Å; N371-L374 PolarHBondContact O-N 3.12Å; N371-H375 PolarHBondContact O-CD2 3.47Å; N371-H375 VanDerWaalsContact O-CD2 3.31Å
372	H	53.1	Low	50.3	Low	127 Å²	127	116.7 Å²	116.7	59%	0.588	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-33.1	-177.4	-158.5	-0.3	0	0	0	113.8
373	S	53.2	Low	52.5	Low	90 Å²	90	113.8 Å²	113.8	63%	0.629	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-33.5	176.1	53.4	0	0	0	0	112.9	N371 H375 I376 V377	N371-S373 VanDerWaalsContact C-N 3.34Å; N371-S373 PolarHBondContact O-N 2.95Å; S373-H375 VanDerWaalsContact C-N 3.31Å; S373-H375 PolarHBondContact O-N 2.71Å; S373-I376 PolarHBondContact O-N 3.13Å; S373-V377 WeakPolarHBondContact O-CG2 3.44Å; S373-V377 PolarHBondContact O-N 3.09Å
374	L	53.9	Low	54.9	Low	101 Å²	101	111.6 Å²	111.6	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-64.8	-36.7	-178.5	-145.7	91.6	0	0	0	111.7	N371 I376 I378	N371-L374 PolarHBondContact O-N 3.12Å; L374-I376 VanDerWaalsContact C-N 3.29Å; L374-I376 PolarHBondContact O-N 3.13Å; L374-I378 HydrophobicContact CD2-CD1 4.11Å; L374-I378 HydrophobicContact CG-CD1 4.24Å; L374-I378 WeakPolarHBondContact O-CD1 3.07Å; L374-I378 VanDerWaalsContact O-CG1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.35Å; L374-I378 PolarHBondContact O-N 3.2Å
375	H	57.1	Low	57.2	Low	115 Å²	115	109.6 Å²	109.6	53%	0.532	59%	0.592	S	S	.	*	H	α-helix	trans	-71.9	-16.7	-178.9	-75.7	-65.7	0	0	0	114.8	N371 S373 P379	N371-H375 PolarHBondContact O-CD2 3.47Å; N371-H375 VanDerWaalsContact O-CD2 3.31Å; S373-H375 VanDerWaalsContact C-N 3.31Å; S373-H375 PolarHBondContact O-N 2.71Å; H375-P379 WeakPolarHBondContact O-CD 3.41Å; H375-P379 WeakPolarHBondContact O-CG 3.16Å
376	I	63.8	Low	59.7	Low	86 Å²	86	106.8 Å²	106.8	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-90.8	-39	176.3	-61.7	172.3	0	0	0	110.6	S373 L374 I378 P379 V380	S373-I376 PolarHBondContact O-N 3.13Å; L374-I376 VanDerWaalsContact C-N 3.29Å; L374-I376 PolarHBondContact O-N 3.13Å; I376-I378 VanDerWaalsContact C-N 3.34Å; I376-I378 PolarHBondContact O-N 3.15Å; I376-P379 WeakPolarHBondContact O-CD 3.14Å; I376-V380 WeakPolarHBondContact O-CG2 3.34Å
377	V	68.3	Low	62	Low	87 Å²	87	106.4 Å²	106.4	53%	0.527	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-38.3	-178.7	178	0	0	0	0	111.1	S373 V380 V381	S373-V377 WeakPolarHBondContact O-CG2 3.44Å; S373-V377 PolarHBondContact O-N 3.09Å; V377-V380 PolarHBondContact O-N 3.2Å; V377-V381 HydrophobicContact CG1-CG2 3.99Å; V377-V381 WeakPolarHBondContact O-CB 3.31Å; V377-V381 WeakPolarHBondContact O-CG2 3.33Å; V377-V381 PolarHBondContact O-N 2.64Å
378	I	73.2	Confident	64.1	Low	82 Å²	82	99.9 Å²	99.9	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-52	-176	-67.3	164.3	0	0	0	112.7	L374 I376 V380 V381 I382	L374-I378 HydrophobicContact CD2-CD1 4.11Å; L374-I378 HydrophobicContact CG-CD1 4.24Å; L374-I378 WeakPolarHBondContact O-CD1 3.07Å; L374-I378 VanDerWaalsContact O-CG1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.35Å; L374-I378 PolarHBondContact O-N 3.2Å; I376-I378 VanDerWaalsContact C-N 3.34Å; I376-I378 PolarHBondContact O-N 3.15Å; I378-V380 VanDerWaalsContact C-N 3.35Å; I378-V380 PolarHBondContact O-N 2.73Å; I378-V381 PolarHBondContact O-N 3.24Å; I378-I382 HydrophobicContact CG2-CD1 3.65Å; I378-I382 HydrophobicContact CG2-CG1 4.4Å; I378-I382 VanDerWaalsContact O-CG1 3.26Å; I378-I382 WeakPolarHBondContact O-CG1 3.42Å; I378-I382 PolarHBondContact O-N 3.45Å
379	P	72.3	Confident	66.3	Low	68 Å²	68	92.6 Å²	92.6	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-38.5	178	-24.3	33.8	0	0	0	113.6	H375 I376 I382 C383	H375-P379 WeakPolarHBondContact O-CD 3.41Å; H375-P379 WeakPolarHBondContact O-CG 3.16Å; I376-P379 WeakPolarHBondContact O-CD 3.14Å; P379-I382 PolarHBondContact O-N 3.45Å; P379-C383 WeakPolarHBondContact O-CB 3.26Å; P379-C383 PolarHBondContact O-N 3.28Å; P379-C383 PolarHBondContact O-SG 3.35Å; P379-C383 VanDerWaalsContact O-SG 3.42Å
380	V	72.6	Confident	68.1	Low	60 Å²	60	85.1 Å²	85.1	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-43.7	178.7	175.1	0	0	0	0	110.5	I376 V377 I378 C383 F384	I376-V380 WeakPolarHBondContact O-CG2 3.34Å; V377-V380 PolarHBondContact O-N 3.2Å; I378-V380 VanDerWaalsContact C-N 3.35Å; I378-V380 PolarHBondContact O-N 2.73Å; V380-C383 PolarHBondContact O-N 2.88Å; V380-F384 WeakPolarHBondContact O-CB 2.92Å; V380-F384 PolarHBondContact O-N 3.4Å
381	V	74	Confident	69.3	Low	71 Å²	71	85.1 Å²	85.1	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-41.2	174.9	172.8	0	0	0	0	110.9	V377 I378 F384 L385	V377-V381 HydrophobicContact CG1-CG2 3.99Å; V377-V381 WeakPolarHBondContact O-CB 3.31Å; V377-V381 WeakPolarHBondContact O-CG2 3.33Å; V377-V381 PolarHBondContact O-N 2.64Å; I378-V381 PolarHBondContact O-N 3.24Å; V381-F384 PolarHBondContact O-N 2.98Å; V381-L385 HydrophobicContact CG1-CD1 3.89Å; V381-L385 HydrophobicContact CG1-CG 4.24Å; V381-L385 WeakPolarHBondContact O-CB 2.89Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 2.93Å
382	I	77.9	Confident	70.8	Confident	91 Å²	91	85.6 Å²	85.6	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-47.4	176.9	-68.7	166.9	0	0	0	110.9	I378 P379 F384 L385 V386	I378-I382 HydrophobicContact CG2-CD1 3.65Å; I378-I382 HydrophobicContact CG2-CG1 4.4Å; I378-I382 VanDerWaalsContact O-CG1 3.26Å; I378-I382 WeakPolarHBondContact O-CG1 3.42Å; I378-I382 PolarHBondContact O-N 3.45Å; P379-I382 PolarHBondContact O-N 3.45Å; I382-F384 VanDerWaalsContact C-N 3.31Å; I382-F384 PolarHBondContact O-N 2.89Å; I382-L385 PolarHBondContact O-N 2.84Å; I382-V386 HydrophobicContact CG2-CG2 4.28Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.33Å; I382-V386 PolarHBondContact O-N 2.68Å
383	C	75.9	Confident	71.9	Confident	82 Å²	82	84.4 Å²	84.4	55%	0.554	48%	0.475	S	S	*	.	H	α-helix	trans	-59.2	-43.7	175.8	-74.9	0	0	0	0	111.3	P379 V380 L385 V386 V387	P379-C383 WeakPolarHBondContact O-CB 3.26Å; P379-C383 PolarHBondContact O-N 3.28Å; P379-C383 PolarHBondContact O-SG 3.35Å; P379-C383 VanDerWaalsContact O-SG 3.42Å; V380-C383 PolarHBondContact O-N 2.88Å; C383-L385 PolarHBondContact O-N 2.88Å; C383-V386 PolarHBondContact O-N 3.1Å; C383-V387 WeakPolarHBondContact O-CB 3.5Å; C383-V387 VanDerWaalsContact O-CG2 3.28Å; C383-V387 WeakPolarHBondContact O-CG2 3.37Å; C383-V387 PolarHBondContact O-N 2Å
384	F	76.4	Confident	72.7	Confident	138 Å²	138	81.1 Å²	81.1	61%	0.605	45%	0.452	S	S	*	.	H	α-helix	trans	-61.3	-43.7	175.6	-174.4	-99	0	0	0	111.6	V380 V381 I382 V387 C388	V380-F384 WeakPolarHBondContact O-CB 2.92Å; V380-F384 PolarHBondContact O-N 3.4Å; V381-F384 PolarHBondContact O-N 2.98Å; I382-F384 VanDerWaalsContact C-N 3.31Å; I382-F384 PolarHBondContact O-N 2.89Å; F384-V387 PolarHBondContact O-N 3.19Å; F384-C388 WeakPolarHBondContact CE1-SG 3.5Å; F384-C388 VanDerWaalsContact CZ-SG 3.52Å; F384-C388 VanDerWaalsContact O-CB 3.26Å; F384-C388 WeakPolarHBondContact O-CB 3.34Å; F384-C388 PolarHBondContact O-N 3.19Å; F384-C388 PolarHBondContact O-SG 3.48Å
385	L	78.6	Confident	73.4	Confident	102 Å²	102	80 Å²	80	53%	0.534	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-37.2	176.9	-71.2	173.2	0	0	0	112.8	V381 I382 C383 S389	V381-L385 HydrophobicContact CG1-CD1 3.89Å; V381-L385 HydrophobicContact CG1-CG 4.24Å; V381-L385 WeakPolarHBondContact O-CB 2.89Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 2.93Å; I382-L385 PolarHBondContact O-N 2.84Å; C383-L385 PolarHBondContact O-N 2.88Å; L385-S389 WeakPolarHBondContact O-CB 3.14Å; L385-S389 PolarHBondContact O-N 3.33Å; L385-S389 PolarHBondContact O-OG 2.89Å
386	V	79.3	Confident	74.1	Confident	92 Å²	92	82.7 Å²	82.7	56%	0.558	45%	0.452	S	S	*	.	H	α-helix	trans	-66.5	-42.7	174.7	172.8	0	0	0	0	110.5	I382 C383 S389 G390	I382-V386 HydrophobicContact CG2-CG2 4.28Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.33Å; I382-V386 PolarHBondContact O-N 2.68Å; C383-V386 PolarHBondContact O-N 3.1Å; V386-S389 WeakPolarHBondContact CA-OG 3.31Å; V386-S389 PolarHBondContact O-OG 3.24Å; V386-G390 PolarHBondContact O-N 2.78Å
387	V	78.1	Confident	74.3	Confident	67 Å²	67	83.5 Å²	83.5	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-45.9	174.8	172.9	0	0	0	0	110.8	V17 C383 F384 G390 F391	V17-V387 HydrophobicContact CG1-CG1 3.85Å; V17-V387 HydrophobicContact CG1-CG2 4.47Å; C383-V387 WeakPolarHBondContact O-CB 3.5Å; C383-V387 VanDerWaalsContact O-CG2 3.28Å; C383-V387 WeakPolarHBondContact O-CG2 3.37Å; C383-V387 PolarHBondContact O-N 2Å; F384-V387 PolarHBondContact O-N 3.19Å; V387-G390 PolarHBondContact O-N 3.44Å; V387-F391 VanDerWaalsContact O-CB 3.32Å; V387-F391 WeakPolarHBondContact O-CB 3.32Å; V387-F391 PolarHBondContact O-N 2.9Å
388	C	75.9	Confident	73.8	Confident	39 Å²	39	80.9 Å²	80.9	26%	0.264	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-41.4	178.1	-73.9	0	0	0	0	112.1	F384 F391 I392	F384-C388 WeakPolarHBondContact CE1-SG 3.5Å; F384-C388 VanDerWaalsContact CZ-SG 3.52Å; F384-C388 VanDerWaalsContact O-CB 3.26Å; F384-C388 WeakPolarHBondContact O-CB 3.34Å; F384-C388 PolarHBondContact O-N 3.19Å; F384-C388 PolarHBondContact O-SG 3.48Å; C388-F391 PolarHBondContact O-N 3.02Å; C388-I392 WeakPolarHBondContact O-CB 3.28Å; C388-I392 WeakPolarHBondContact O-CG1 2.95Å; C388-I392 PolarHBondContact O-N 3.22Å
389	S	79.2	Confident	73.3	Confident	54 Å²	54	84.3 Å²	84.3	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-67	-41.5	175.7	55.4	0	0	0	0	111.3	L385 V386 F391 I392 I393	L385-S389 WeakPolarHBondContact O-CB 3.14Å; L385-S389 PolarHBondContact O-N 3.33Å; L385-S389 PolarHBondContact O-OG 2.89Å; V386-S389 WeakPolarHBondContact CA-OG 3.31Å; V386-S389 PolarHBondContact O-OG 3.24Å; S389-F391 VanDerWaalsContact C-N 3.31Å; S389-F391 PolarHBondContact O-N 3.19Å; S389-I392 PolarHBondContact O-N 3.18Å; S389-I393 WeakPolarHBondContact O-CB 2.97Å; S389-I393 WeakPolarHBondContact O-CD1 3.42Å; S389-I393 WeakPolarHBondContact O-CG1 3.15Å; S389-I393 PolarHBondContact O-N 3.01Å
390	G	75.1	Confident	72.6	Confident	38 Å²	38	87.5 Å²	87.5	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-58.1	-42.9	171.2	0	0	0	0	0	112.2	V386 V387 C394	V386-G390 PolarHBondContact O-N 2.78Å; V387-G390 PolarHBondContact O-N 3.44Å; G390-C394 WeakPolarHBondContact O-CB 3.32Å; G390-C394 PolarHBondContact O-N 3.37Å
391	F	72.9	Confident	71.6	Confident	99 Å²	99	91.1 Å²	91.1	43%	0.434	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-42.4	176.3	-161.6	-105.4	0	0	0	112.2	V387 C388 S389 C394 L395	V387-F391 VanDerWaalsContact O-CB 3.32Å; V387-F391 WeakPolarHBondContact O-CB 3.32Å; V387-F391 PolarHBondContact O-N 2.9Å; C388-F391 PolarHBondContact O-N 3.02Å; S389-F391 VanDerWaalsContact C-N 3.31Å; S389-F391 PolarHBondContact O-N 3.19Å; F391-C394 PolarHBondContact O-N 3.02Å; F391-L395 HydrophobicContact CD1-CD1 3.68Å; F391-L395 HydrophobicContact CD1-CG 4.22Å; F391-L395 HydrophobicContact CE1-CD1 3.59Å; F391-L395 HydrophobicContact CE1-CG 4.13Å; F391-L395 HydrophobicContact CZ-CD1 4.49Å; F391-L395 WeakPolarHBondContact O-CB 3.36Å; F391-L395 VanDerWaalsContact O-CG 3.28Å; F391-L395 WeakPolarHBondContact O-CG 3.21Å; F391-L395 PolarHBondContact O-N 3.11Å
392	I	75.4	Confident	70.5	Confident	108 Å²	108	95 Å²	95	55%	0.554	48%	0.483	S	S	*	.	H	α-helix	trans	-66.5	-44.4	177	-70.3	167.3	0	0	0	110.9	C388 S389 C394 L395 W396	C388-I392 WeakPolarHBondContact O-CB 3.28Å; C388-I392 WeakPolarHBondContact O-CG1 2.95Å; C388-I392 PolarHBondContact O-N 3.22Å; S389-I392 PolarHBondContact O-N 3.18Å; I392-C394 VanDerWaalsContact C-N 3.32Å; I392-L395 PolarHBondContact O-N 2.82Å; I392-W396 VanDerWaalsContact O-CB 3.3Å; I392-W396 WeakPolarHBondContact O-CB 3.36Å; I392-W396 PolarHBondContact O-N 2.65Å
393	I	76.9	Confident	68.7	Low	102 Å²	102	101.3 Å²	101.3	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176.6	-67.9	164.2	0	0	0	109.7	S389 W396 L397	S389-I393 WeakPolarHBondContact O-CB 2.97Å; S389-I393 WeakPolarHBondContact O-CD1 3.42Å; S389-I393 WeakPolarHBondContact O-CG1 3.15Å; S389-I393 PolarHBondContact O-N 3.01Å; I393-W396 PolarHBondContact O-N 3.1Å; I393-L397 HydrophobicContact CG2-CD1 4.04Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CB 3.48Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 3.41Å
394	C	70.6	Confident	67	Low	21 Å²	21	105.1 Å²	105.1	14%	0.142	51%	0.512	C	S	.	.	H	α-helix	trans	-59.5	-51.1	174.4	-176.2	0	0	0	0	111.5	F25 G390 F391 I392 W396 L397 C398	F25-C394 VanDerWaalsContact CE1-SG 3.53Å; F25-C394 HydrophobicContact CZ-CB 4.47Å; G390-C394 WeakPolarHBondContact O-CB 3.32Å; G390-C394 PolarHBondContact O-N 3.37Å; F391-C394 PolarHBondContact O-N 3.02Å; I392-C394 VanDerWaalsContact C-N 3.32Å; C394-W396 VanDerWaalsContact C-N 3.26Å; C394-W396 PolarHBondContact O-N 3.34Å; C394-L397 PolarHBondContact O-N 3.47Å; C394-C398 WeakPolarHBondContact O-CB 3.13Å; C394-C398 PolarHBondContact O-N 3.07Å; C394-C398 PolarHBondContact O-SG 2.85Å
395	L	68.3	Low	65.5	Low	78 Å²	78	107.9 Å²	107.9	41%	0.408	54%	0.544	S	S	.	.	H	α-helix	trans	-59.2	-36.3	175.6	-74.3	174.8	0	0	0	112.6	F391 I392 C398 K399	F391-L395 HydrophobicContact CD1-CD1 3.68Å; F391-L395 HydrophobicContact CD1-CG 4.22Å; F391-L395 HydrophobicContact CE1-CD1 3.59Å; F391-L395 HydrophobicContact CE1-CG 4.13Å; F391-L395 HydrophobicContact CZ-CD1 4.49Å; F391-L395 WeakPolarHBondContact O-CB 3.36Å; F391-L395 VanDerWaalsContact O-CG 3.28Å; F391-L395 WeakPolarHBondContact O-CG 3.21Å; F391-L395 PolarHBondContact O-N 3.11Å; I392-L395 PolarHBondContact O-N 2.82Å; L395-C398 PolarHBondContact O-N 2.7Å; L395-K399 WeakPolarHBondContact O-CB 3.13Å; L395-K399 PolarHBondContact O-N 3.49Å
396	W	72.6	Confident	64.8	Low	172 Å²	172	108.2 Å²	108.2	65%	0.652	55%	0.545	S	S	*	.	H	α-helix	trans	-70.4	-42.2	178.8	-156.5	78	0	0	0	111.7	I392 I393 C394 K399 K400	I392-W396 VanDerWaalsContact O-CB 3.3Å; I392-W396 WeakPolarHBondContact O-CB 3.36Å; I392-W396 PolarHBondContact O-N 2.65Å; I393-W396 PolarHBondContact O-N 3.1Å; C394-W396 VanDerWaalsContact C-N 3.26Å; C394-W396 PolarHBondContact O-N 3.34Å; W396-K399 PolarHBondContact O-N 3.41Å; W396-K400 PolarHBondContact O-N 2.93Å
397	L	66.5	Low	64	Low	102 Å²	102	109.1 Å²	109.1	53%	0.534	54%	0.544	S	S	.	.	H	α-helix	trans	-64.1	-40.4	172.5	-70.1	171.9	0	0	0	111.4	I393 C394 K400 K401	I393-L397 HydrophobicContact CG2-CD1 4.04Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CB 3.48Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 3.41Å; C394-L397 PolarHBondContact O-N 3.47Å; L397-K400 WeakPolarHBondContact O-CB 3.12Å; L397-K400 PolarHBondContact O-N 3.4Å; L397-K400 VanDerWaalsContact O-N 3.16Å; L397-K401 PolarHBondContact O-N 3.35Å
398	C	58.4	Low	63.3	Low	32 Å²	32	111.4 Å²	111.4	22%	0.216	55%	0.552	C	S	.	*	H	α-helix	trans	-62.4	-43.8	174.8	-66.6	0	0	0	0	111.8	Q28 C394 L395 K400 K401 K402	Q28-C398 PolarHBondContact NE2-SG 3.19Å; Q28-C398 VanDerWaalsContact NE2-SG 3.45Å; C394-C398 WeakPolarHBondContact O-CB 3.13Å; C394-C398 PolarHBondContact O-N 3.07Å; C394-C398 PolarHBondContact O-SG 2.85Å; L395-C398 PolarHBondContact O-N 2.7Å; C398-K400 VanDerWaalsContact C-N 3.25Å; C398-K400 PolarHBondContact O-N 3.31Å; C398-K401 PolarHBondContact O-N 3.47Å; C398-K402 PolarHBondContact O-N 3.32Å
399	K	61.9	Low	62.5	Low	154 Å²	154	115.6 Å²	115.6	67%	0.67	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-29.1	174.6	-82.8	-173.8	175.7	178.9	0	113.1	L395 W396 K402	L395-K399 WeakPolarHBondContact O-CB 3.13Å; L395-K399 PolarHBondContact O-N 3.49Å; W396-K399 PolarHBondContact O-N 3.41Å; K399-K402 PolarHBondContact O-N 3.37Å
400	K	58.4	Low	61.5	Low	135 Å²	135	119.5 Å²	119.5	59%	0.587	58%	0.58	S	S	*	*	H	α-helix	trans	-72.4	-33.7	179.7	-150.3	178.4	-178.5	-174.8	0	111.9	W396 L397 C398 R403	W396-K400 PolarHBondContact O-N 2.93Å; L397-K400 WeakPolarHBondContact O-CB 3.12Å; L397-K400 PolarHBondContact O-N 3.4Å; L397-K400 VanDerWaalsContact O-N 3.16Å; C398-K400 VanDerWaalsContact C-N 3.25Å; C398-K400 PolarHBondContact O-N 3.31Å; K400-R403 PolarHBondContact O-N 2.81Å
401	K	51.6	Low	60.6	Low	137 Å²	137	124.9 Å²	124.9	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-66.5	-32.7	172.9	-88	-172.6	177	-172.4	0	113.2	D32 L397 C398 R403 M404	D32-K401 IonicContact OD2-NZ 2.78Å; D32-K401 PolarHBondContact OD2-NZ 3.46Å; L397-K401 PolarHBondContact O-N 3.35Å; C398-K401 PolarHBondContact O-N 3.47Å; K401-R403 PolarHBondContact O-N 3.36Å; K401-M404 PolarHBondContact O-N 3.48Å
402	K	50	Low	59.7	Low	153 Å²	153	126.8 Å²	126.8	67%	0.665	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-7.7	172.3	-72	-169.4	176	-172.5	0	114.8	C398 K399	C398-K402 PolarHBondContact O-N 3.32Å; K399-K402 PolarHBondContact O-N 3.37Å
403	R	40.8	Very low	58.5	Low	222 Å²	222	128.2 Å²	128.2	84%	0.838	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	11.9	-179.9	-68.6	-167.1	-174.3	-172.7	1.5	114.5	K400 K401	K400-R403 PolarHBondContact O-N 2.81Å; K401-R403 PolarHBondContact O-N 3.36Å
404	M	41.2	Very low	56.9	Low	162 Å²	162	130.4 Å²	130.4	80%	0.798	62%	0.615	S	S	*	*			trans	-95.2	115.2	164.1	-71.8	-170.8	172.8	0	0	107.8	K401	K401-M404 PolarHBondContact O-N 3.48Å
405	P	42.9	Very low	55.7	Low	197 Å²	197	140.4 Å²	140.4	100%	1.279	66%	0.658	S	S	*	*			trans	-68.8	0	-172.2	29.4	-35.3	0	0	0	113.3

Retrieved 405 of 405 residues in 722 ms (Link to these results)

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