A0A087YBW9_POEFO Loading...

Coagulation factor XI-like

AlphaFold DB , UniProt , Accession A0A087YBW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	33.7	Very low	245 Å²	245	153.4 Å²	153.4	100%	1.207	84%	0.841	S	S	*	*				0	117.9	0	-95.7	152.4	57.6	0	0	107.9
2	K	31.3	Very low	34	Very low	190 Å²	190	153.6 Å²	153.6	83%	0.826	84%	0.839	S	S	*	*			trans	-63.6	142.6	178.6	-76	174.1	169.1	-175.4	0	110.3
3	M	28.7	Very low	34.3	Very low	181 Å²	181	154.9 Å²	154.9	89%	0.892	84%	0.843	S	S	*	*			trans	-136.2	109.2	153.1	-154.4	163.3	71.6	0	0	107.1
4	E	31.3	Very low	34.7	Very low	162 Å²	162	155 Å²	155	76%	0.757	84%	0.841	S	S	*	*			trans	-70.7	141.8	178.3	-63.7	-173	160.6	0	0	109.6
5	S	32.6	Very low	35.1	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	84%	0.838	S	S	*	*			trans	-130.6	113.3	165.8	-83.3	0	0	0	0	108.2	L7	S5-L7 PolarHBondContact O-N 3.41Å
6	S	32.7	Very low	35.3	Very low	117 Å²	117	146.9 Å²	146.9	82%	0.818	82%	0.823	S	S	*	*			trans	-63.2	120.3	178.5	-55.2	0	0	0	0	110.9
7	L	32.9	Very low	35.4	Very low	174 Å²	174	144.5 Å²	144.5	91%	0.911	82%	0.818	S	S	*	*			trans	-95.4	113.6	167.6	-90.7	149	0	0	0	108.8	S5 L9	S5-L7 PolarHBondContact O-N 3.41Å; L7-L9 PolarHBondContact O-N 3.5Å
8	I	38.1	Very low	35.2	Very low	150 Å²	150	145.9 Å²	145.9	77%	0.769	81%	0.814	S	S	*	*			trans	-72.7	117	174.8	-64.9	170.9	0	0	0	107.9	V10	I8-V10 PolarHBondContact O-N 3.08Å
9	L	34.3	Very low	35.3	Very low	170 Å²	170	143.9 Å²	143.9	89%	0.89	81%	0.811	S	S	*	*			trans	-79.2	101.1	176	-158	83.9	0	0	0	108.9	L7 G11	L7-L9 PolarHBondContact O-N 3.5Å; L9-G11 PolarHBondContact O-N 3.15Å
10	V	38	Very low	35.4	Very low	123 Å²	123	146 Å²	146	75%	0.745	81%	0.811	S	S	*	*			trans	-76	101.9	169.8	178.3	0	0	0	0	107.9	I8 L12	I8-V10 PolarHBondContact O-N 3.08Å; V10-L12 PolarHBondContact O-N 3.18Å
11	G	34.5	Very low	35.8	Very low	64 Å²	64	144.3 Å²	144.3	66%	0.66	81%	0.809	S	S	*	*			trans	-68.8	108.9	173.1	0	0	0	0	0	110.9	L9 L13	L9-G11 PolarHBondContact O-N 3.15Å; G11-L13 PolarHBondContact O-N 3.22Å; G11-L13 VanDerWaalsContact O-N 3.14Å
12	L	37.3	Very low	36.8	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	79%	0.787	S	S	*	*			trans	-67.3	102.2	166.6	-93.2	137.8	0	0	0	109.2	V10 L14	V10-L12 PolarHBondContact O-N 3.18Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.39Å
13	L	38.4	Very low	38.2	Very low	171 Å²	171	136.1 Å²	136.1	90%	0.895	78%	0.784	S	S	*	*			trans	-68.6	92.2	162.7	-79.5	163.2	0	0	0	108.1	G11 A15	G11-L13 PolarHBondContact O-N 3.22Å; G11-L13 VanDerWaalsContact O-N 3.14Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.46Å
14	L	39.7	Very low	40.2	Very low	156 Å²	156	129.6 Å²	129.6	82%	0.817	76%	0.756	S	S	*	*			trans	-66.9	94	162.9	-75.1	167.3	0	0	0	107.6	L12 S16	L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.39Å; L14-S16 VanDerWaalsContact C-N 3.28Å; L14-S16 PolarHBondContact O-N 2.96Å
15	A	40.6	Very low	42.1	Very low	96 Å²	96	124 Å²	124	79%	0.793	73%	0.733	S	S	*	*			trans	-64.2	94.9	162.1	0	0	0	0	0	107.4	L13 S17	L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.46Å; A15-S17 PolarHBondContact O-N 3.02Å
16	S	38.6	Very low	43.8	Very low	84 Å²	84	123.4 Å²	123.4	59%	0.587	72%	0.722	S	S	*	*			trans	-62.4	107.4	167.7	44.2	0	0	0	0	107.8	L14 F18	L14-S16 VanDerWaalsContact C-N 3.28Å; L14-S16 PolarHBondContact O-N 2.96Å; S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.18Å
17	S	37.7	Very low	46.3	Very low	107 Å²	107	120.2 Å²	120.2	75%	0.748	71%	0.707	S	S	*	*			trans	-60.5	97	164.3	40.8	0	0	0	0	107.6	A15 S19	A15-S17 PolarHBondContact O-N 3.02Å; S17-S19 PolarHBondContact O-N 3.19Å
18	F	31.8	Very low	49.2	Very low	170 Å²	170	114.8 Å²	114.8	75%	0.746	68%	0.678	S	S	*	*			trans	-63	89.1	164.6	-76.8	-85.1	0	0	0	107.4	S16 F20	S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.18Å; F18-F20 VanDerWaalsContact C-N 3.28Å; F18-F20 PolarHBondContact O-N 3.29Å
19	S	36.8	Very low	52	Low	108 Å²	108	110.2 Å²	110.2	76%	0.755	66%	0.655	S	S	*	*			trans	-64.5	98.2	159.6	-74.2	0	0	0	0	106.2	S17 S21	S17-S19 PolarHBondContact O-N 3.19Å; S19-S21 PolarHBondContact O-N 3.29Å
20	F	36.2	Very low	55	Low	185 Å²	185	106.3 Å²	106.3	81%	0.811	64%	0.638	S	S	*	*			trans	-61.2	94.7	162.3	-81.2	-92.1	0	0	0	106.7	F18 K22	F18-F20 VanDerWaalsContact C-N 3.28Å; F18-F20 PolarHBondContact O-N 3.29Å; F20-K22 PolarHBondContact O-N 3.19Å
21	S	44.4	Very low	57.9	Low	111 Å²	111	103 Å²	103	78%	0.776	62%	0.617	S	S	*	*			trans	-60.5	98.4	156.7	44.5	0	0	0	0	105.6	S19 A23	S19-S21 PolarHBondContact O-N 3.29Å; S21-A23 PolarHBondContact O-N 3.35Å
22	K	56.7	Low	60.9	Low	171 Å²	171	101.4 Å²	101.4	74%	0.743	59%	0.594	S	S	*	*			trans	-55.4	107.8	170.2	-80.8	179.8	177.3	172.1	0	106.1	F20 C24	F20-K22 PolarHBondContact O-N 3.19Å; K22-C24 PolarHBondContact O-N 3.36Å
23	A	60.7	Low	63.8	Low	91 Å²	91	95.4 Å²	95.4	75%	0.752	56%	0.562	S	S	*	*			trans	-55.5	126.8	176.2	0	0	0	0	0	108	S21 P25	S21-A23 PolarHBondContact O-N 3.35Å; A23-P25 WeakPolarHBondContact O-CD 3.07Å
24	C	71.3	Confident	66.6	Low	45 Å²	45	87.3 Å²	87.3	30%	0.304	52%	0.52	S	S	.	.			trans	-64.5	121.1	178	179	0	0	0	0	108.9	K22 N26 C107	K22-C24 PolarHBondContact O-N 3.36Å; C24-N26 PolarHBondContact O-N 3.12Å; C24-N26 PolarHBondContact SG-OD1 3.24Å; C24-C107 WeakPolarHBondContact CA-SG 3.18Å; C24-C107 HydrophobicContact CB-CB 3.83Å; C24-C107 WeakPolarHBondContact CB-SG 3.32Å; C24-C107 WeakPolarHBondContact SG-CB 3.27Å; C24-C107 CovalentContact SG-SG 2.02Å; C24-C107 PolarHBondContact SG-SG 2.76Å
25	P	70	Confident	69.2	Low	44 Å²	44	82 Å²	82	29%	0.286	50%	0.495	S	S	.	.			trans	-76.3	73.2	-179.2	32.2	-34.9	0	0	0	110.2	A23 G27 F102	A23-P25 WeakPolarHBondContact O-CD 3.07Å; P25-G27 VanDerWaalsContact C-N 3.29Å; P25-F102 HydrophobicContact CB-CB 3.88Å; P25-F102 HydrophobicContact CB-CD2 4.22Å; P25-F102 HydrophobicContact CB-CG 4.12Å; P25-F102 HydrophobicContact CG-CB 3.83Å; P25-F102 HydrophobicContact CG-CG 4.43Å
26	N	68.8	Low	71.7	Confident	99 Å²	99	79.2 Å²	79.2	53%	0.529	48%	0.476	S	S	.	.			trans	-84.5	-0.6	178.4	-79.3	-17.7	0	0	0	113.5	C24 L28 L104	C24-N26 PolarHBondContact O-N 3.12Å; C24-N26 PolarHBondContact SG-OD1 3.24Å; N26-L28 PolarHBondContact O-N 3.34Å; N26-L104 WeakPolarHBondContact OD1-CD2 3.49Å
27	G	84.6	Confident	74.4	Confident	49 Å²	49	77.2 Å²	77.2	51%	0.505	46%	0.462	S	S	.	.			trans	-73.5	118.4	-178.8	0	0	0	0	0	112.2	P25	P25-G27 VanDerWaalsContact C-N 3.29Å
28	L	94.8	Very high	77.2	Confident	60 Å²	60	76 Å²	76	31%	0.314	45%	0.447	S	S	.	.			trans	-87.7	135.5	166.3	-62.6	179	0	0	0	110	N26 V47 F63 I99	N26-L28 PolarHBondContact O-N 3.34Å; L28-V47 HydrophobicContact CD1-CB 4.49Å; L28-V47 HydrophobicContact CD1-CG1 3.7Å; L28-V47 HydrophobicContact CD1-CG2 3.95Å; L28-V47 HydrophobicContact CD2-CG2 3.95Å; L28-F63 HydrophobicContact CD2-CZ 3.78Å; L28-I99 HydrophobicContact CB-CG2 3.91Å
29	L	96.8	Very high	80.2	Confident	55 Å²	55	71.1 Å²	71.1	29%	0.288	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	100.6	-179.4	-57.9	178	0	0	0	109.7	V32 F34 I99 S100	L29-V32 HydrophobicContact CB-CB 3.83Å; L29-V32 HydrophobicContact CB-CG1 4.32Å; L29-V32 HydrophobicContact CB-CG2 4.12Å; L29-V32 HydrophobicContact CD1-CG1 4.3Å; L29-F34 HydrophobicContact CD1-CE1 3.65Å; L29-F34 HydrophobicContact CD1-CZ 3.6Å; L29-I99 WeakPolarHBondContact O-CA 3.39Å; L29-S100 PolarHBondContact N-O 3.03Å; L29-S100 PolarHBondContact O-N 2.78Å
30	V	97.7	Very high	82.9	Confident	88 Å²	88	68.5 Å²	68.5	53%	0.533	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.5	-179.4	-177.6	0	0	0	0	110.2	V32 I99	V30-V32 PolarHBondContact O-N 3.47Å; V30-I99 HydrophobicContact CG2-CG1 4.45Å
31	N	97.7	Very high	85.6	Confident	54 Å²	54	63.8 Å²	63.8	29%	0.289	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.3	33.3	-177.6	-56.1	-38.6	0	0	0	113.8	R67 P94 L95 G97 V98	N31-R67 VanDerWaalsContact OD1-CZ 3.31Å; N31-R67 PolarHBondContact OD1-NH1 2.9Å; N31-R67 PolarHBondContact OD1-NH2 3.19Å; N31-P94 CarbonylContact O-C 3.59Å; N31-P94 WeakPolarHBondContact O-CA 3.28Å; N31-L95 CarbonylContact C-O 3.58Å; N31-L95 WeakPolarHBondContact CA-O 3.29Å; N31-L95 WeakPolarHBondContact CB-O 3.37Å; N31-L95 PolarHBondContact O-N 2.86Å; N31-G97 PolarHBondContact OD1-N 3.1Å; N31-V98 WeakPolarHBondContact CA-O 3.48Å; N31-V98 PolarHBondContact N-O 3.44Å
32	V	97.9	Very high	87.9	Confident	30 Å²	30	59 Å²	59	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.7	175.3	177.3	0	0	0	0	108	L29 V30 F34 Q92 T93 V98 S100	L29-V32 HydrophobicContact CB-CB 3.83Å; L29-V32 HydrophobicContact CB-CG1 4.32Å; L29-V32 HydrophobicContact CB-CG2 4.12Å; L29-V32 HydrophobicContact CD1-CG1 4.3Å; V30-V32 PolarHBondContact O-N 3.47Å; V32-F34 HydrophobicContact CG1-CE1 4.29Å; V32-Q92 HydrophobicContact CG1-CB 3.92Å; V32-T93 CarbonylContact C-O 3.59Å; V32-T93 WeakPolarHBondContact CA-O 3.27Å; V32-V98 WeakPolarHBondContact O-CG2 3.47Å; V32-S100 VanDerWaalsContact O-CB 3.31Å; V32-S100 WeakPolarHBondContact O-CB 3.18Å; V32-S100 PolarHBondContact O-N 2.81Å; V32-S100 PolarHBondContact O-OG 2.88Å
33	D	97.8	Very high	89.6	Confident	29 Å²	29	53 Å²	53	16%	0.155	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.7	171	-176.2	34.2	0	0	0	111.1	P35 T64 Q92 T93 L95 V98	D33-P35 WeakPolarHBondContact O-CD 2.93Å; D33-T64 WeakPolarHBondContact OD1-CB 3.35Å; D33-T64 WeakPolarHBondContact OD1-CG2 3.45Å; D33-T64 PolarHBondContact OD1-OG1 2.86Å; D33-Q92 WeakPolarHBondContact O-CA 3.45Å; D33-T93 PolarHBondContact N-O 3.04Å; D33-T93 PolarHBondContact O-N 3.42Å; D33-L95 HydrophobicContact CB-CB 4.02Å; D33-L95 HydrophobicContact CB-CD2 3.87Å; D33-V98 HydrophobicContact CB-CG2 4.13Å
34	F	97.5	Very high	91.1	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	29%	0.29	C	S	.	.			trans	-96.9	87.7	162.8	-62.4	-19.2	0	0	0	109.2	L29 V32 F62 T64 K82 P89 Q92 S100 F102	L29-F34 HydrophobicContact CD1-CE1 3.65Å; L29-F34 HydrophobicContact CD1-CZ 3.6Å; V32-F34 HydrophobicContact CG1-CE1 4.29Å; F34-F62 HydrophobicContact CB-CD2 4.16Å; F34-F62 HydrophobicContact CB-CE2 4.28Å; F34-F62 HydrophobicContact CD2-CB 3.99Å; F34-F62 AromaticContact CD2-CD2 3.6Å; F34-F62 HydrophobicContact CD2-CD2 3.6Å; F34-F62 HydrophobicContact CD2-CE2 4.45Å; F34-F62 HydrophobicContact CD2-CG 4.1Å; F34-F62 HydrophobicContact CE2-CB 3.99Å; F34-F62 HydrophobicContact CE2-CD2 4.39Å; F34-F62 HydrophobicContact CE2-CG 4.46Å; F34-F62 HydrophobicContact CG-CD2 4.27Å; F34-T64 PolarHBondContact N-OG1 3.12Å; F34-K82 HydrophobicContact CB-CD 4.11Å; F34-K82 WeakPolarHBondContact O-CD 3.29Å; F34-K82 WeakPolarHBondContact O-CE 3.34Å; F34-K82 PolarHBondContact O-NZ 2.86Å; F34-P89 HydrophobicContact CB-CB 3.84Å; F34-P89 HydrophobicContact CD1-CB 3.8Å; F34-P89 HydrophobicContact CD1-CG 3.85Å; F34-P89 HydrophobicContact CD2-CB 4.06Å; F34-P89 HydrophobicContact CD2-CG 4.18Å; F34-P89 HydrophobicContact CE1-CB 4.35Å; F34-P89 HydrophobicContact CE1-CG 3.88Å; F34-P89 HydrophobicContact CE2-CG 4.17Å; F34-P89 HydrophobicContact CG-CB 3.63Å; F34-P89 HydrophobicContact CG-CG 4Å; F34-P89 HydrophobicContact CZ-CG 4.02Å; F34-Q92 HydrophobicContact CD1-CB 4.42Å; F34-Q92 HydrophobicContact CD1-CG 3.86Å; F34-Q92 HydrophobicContact CE1-CB 4.39Å; F34-Q92 HydrophobicContact CE1-CG 3.65Å; F34-S100 PolarHBondContact N-OG 2.88Å; F34-F102 HydrophobicContact CE2-CE2 4.2Å; F34-F102 HydrophobicContact CE2-CZ 4.22Å; F34-F102 AromaticContact CZ-CE2 3.97Å; F34-F102 HydrophobicContact CZ-CE2 3.97Å; F34-F102 HydrophobicContact CZ-CZ 4.1Å
35	P	94.8	Very high	92.1	Very high	44 Å²	44	46.8 Å²	46.8	29%	0.286	28%	0.277	S	S	.	.			trans	-67.9	143.2	-170.5	28.1	-37.6	0	0	0	112.7	D33 S91 T93	D33-P35 WeakPolarHBondContact O-CD 2.93Å; P35-S91 WeakPolarHBondContact CD-O 3.44Å; P35-S91 WeakPolarHBondContact CG-OG 3.5Å; P35-T93 HydrophobicContact CG-CG2 4.26Å
36	G	93.3	Very high	93.2	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	27%	0.266	S	S	.	.	S	Bend	trans	66.7	-159.4	179.7	0	0	0	0	0	113.6	D38 K82	G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.16Å; G36-K82 PolarHBondContact O-NZ 3.32Å
37	S	95	Very high	94.4	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	24%	0.243	S	C	.	.			trans	57.2	26.1	-179.8	-50.3	0	0	0	0	114.4	I39 K82 S83 T84	S37-I39 PolarHBondContact O-N 3.17Å; S37-K82 CarbonylContact O-C 3.58Å; S37-K82 WeakPolarHBondContact O-CA 3.34Å; S37-K82 VanDerWaalsContact O-CB 3.29Å; S37-K82 WeakPolarHBondContact O-CB 3.39Å; S37-S83 WeakPolarHBondContact CB-O 3.08Å; S37-S83 PolarHBondContact O-N 2.86Å; S37-T84 VanDerWaalsContact OG-CG2 3.3Å; S37-T84 WeakPolarHBondContact OG-CG2 3.23Å
38	D	96.1	Very high	94.7	Very high	80 Å²	80	42.8 Å²	42.8	43%	0.428	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.8	-178.7	-65.3	-56	0	0	0	111.2	G36 Y80 K82	G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.16Å; D38-Y80 WeakPolarHBondContact OD1-CB 3.37Å; D38-Y80 WeakPolarHBondContact OD1-CD1 2.93Å; D38-K82 WeakPolarHBondContact OD1-CE 3.07Å; D38-K82 WeakPolarHBondContact OD1-CG 3.18Å; D38-K82 IonicContact OD1-NZ 3.03Å; D38-K82 PolarHBondContact OD1-NZ 2.79Å; D38-K82 IonicContact OD2-NZ 3.41Å
39	I	95.1	Very high	94.4	Very high	69 Å²	69	40 Å²	40	35%	0.354	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-52.7	167.3	-57.9	160.3	0	0	0	108.8	S37 A59 C60 L81	S37-I39 PolarHBondContact O-N 3.17Å; I39-A59 HydrophobicContact CD1-CB 3.85Å; I39-C60 HydrophobicContact CD1-CB 4.13Å; I39-L81 WeakPolarHBondContact CB-O 3.26Å; I39-L81 PolarHBondContact N-O 2.89Å
40	T	94.6	Very high	94.2	Very high	52 Å²	52	37.3 Å²	37.3	32%	0.319	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	168.1	-178.1	-172	0	0	0	0	109.1	L81	T40-L81 HydrophobicContact CG2-CB 4.25Å; T40-L81 HydrophobicContact CG2-CD1 4.17Å; T40-L81 HydrophobicContact CG2-CG 4.4Å; T40-L81 PolarHBondContact O-N 3.27Å
41	F	93	Very high	93.9	Very high	87 Å²	87	34.2 Å²	34.2	38%	0.382	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	150.5	163.1	71.9	-84.9	0	0	0	110.7	Y78 C79 Y80	F41-Y78 HydrophobicContact CB-CD2 4.31Å; F41-Y78 AromaticContact CD2-CD2 3.58Å; F41-Y78 HydrophobicContact CD2-CD2 3.58Å; F41-Y78 AromaticContact CD2-CE2 3.55Å; F41-Y78 HydrophobicContact CD2-CE2 3.55Å; F41-Y78 HydrophobicContact CD2-CG 4.14Å; F41-Y78 HydrophobicContact CE2-CD2 4.06Å; F41-Y78 HydrophobicContact CE2-CE1 4.44Å; F41-Y78 AromaticContact CE2-CE2 3.51Å; F41-Y78 HydrophobicContact CE2-CE2 3.51Å; F41-Y78 AromaticContact CE2-CZ 3.73Å; F41-Y78 AromaticContact CG-CD2 3.97Å; F41-Y78 HydrophobicContact CG-CD2 3.97Å; F41-Y78 HydrophobicContact CG-CE2 4.12Å; F41-Y78 HydrophobicContact CZ-CE2 4.06Å; F41-C79 CarbonylContact C-O 3.55Å; F41-C79 VanDerWaalsContact CA-O 3.29Å; F41-C79 WeakPolarHBondContact CA-O 3.47Å; F41-Y80 HydrophobicContact CB-CD1 3.74Å; F41-Y80 HydrophobicContact CB-CE1 3.81Å; F41-Y80 HydrophobicContact CB-CG 4.33Å; F41-Y80 HydrophobicContact CG-CE1 4.42Å
42	L	92.4	Very high	93.5	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.2	172.5	-56	176.9	0	0	0	108.6	L53 C79 L81 R179 I348	L42-L53 HydrophobicContact CB-CD1 3.97Å; L42-L53 HydrophobicContact CD1-CB 4.18Å; L42-L53 HydrophobicContact CD1-CD1 4Å; L42-L53 HydrophobicContact CD1-CD2 4.05Å; L42-L53 HydrophobicContact CD1-CG 4.31Å; L42-C79 PolarHBondContact N-O 2.74Å; L42-C79 WeakPolarHBondContact O-CA 3.33Å; L42-C79 WeakPolarHBondContact O-CB 3.42Å; L42-C79 PolarHBondContact O-N 2.89Å; L42-L81 HydrophobicContact CD1-CD1 3.73Å; L42-L81 HydrophobicContact CD1-CG 4.44Å; L42-L81 HydrophobicContact CG-CD1 4.3Å; L42-R179 VanDerWaalsContact CD2-CZ 3.48Å; L42-R179 VanDerWaalsContact CD2-NH2 3.25Å; L42-I348 HydrophobicContact CD1-CD1 3.97Å
43	Y	92.7	Very high	93.1	Very high	46 Å²	46	31.2 Å²	31.2	18%	0.18	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.7	168.3	-73.8	-85.7	0	0	0	110.4	F77 Y78 P181 I182 V183	Y43-F77 HydrophobicContact CD1-CB 4.29Å; Y43-Y78 HydrophobicContact CD1-CD1 4.3Å; Y43-Y78 HydrophobicContact CD1-CE1 4.36Å; Y43-Y78 AromaticContact CE1-CD1 3.86Å; Y43-Y78 HydrophobicContact CE1-CD1 3.86Å; Y43-Y78 AromaticContact CE1-CE1 3.5Å; Y43-Y78 HydrophobicContact CE1-CE1 3.5Å; Y43-Y78 VanDerWaalsContact CE1-CE1 3.5Å; Y43-Y78 AromaticContact CZ-CE1 3.61Å; Y43-Y78 WeakPolarHBondContact OH-CE1 3.36Å; Y43-P181 WeakPolarHBondContact CD2-O 3.4Å; Y43-I182 HydrophobicContact CE1-CG2 4.35Å; Y43-I182 HydrophobicContact CE2-CB 4.44Å; Y43-I182 HydrophobicContact CE2-CG1 4.11Å; Y43-I182 HydrophobicContact CE2-CG2 4.5Å; Y43-V183 HydrophobicContact CD1-CB 4.22Å
44	S	92.3	Very high	92.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.			trans	-142.2	130.9	175.6	-172.6	0	0	0	0	110.4	S46 H49 C50 F65 F77	S44-S46 VanDerWaalsContact C-N 3.3Å; S44-S46 PolarHBondContact O-N 3.41Å; S44-S46 PolarHBondContact OG-O 2.82Å; S44-H49 WeakPolarHBondContact OG-CB 3.39Å; S44-H49 PolarHBondContact OG-ND1 2.86Å; S44-C50 WeakPolarHBondContact OG-CA 3.46Å; S44-C50 PolarHBondContact OG-N 3.28Å; S44-F65 WeakPolarHBondContact O-CE2 3.49Å; S44-F77 PolarHBondContact N-O 3.29Å; S44-F77 WeakPolarHBondContact O-CB 3.36Å
45	P	92.3	Very high	92.4	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.032	17%	0.167	C	C	.	.	S	Bend	trans	-78.3	-16.3	-180	34.9	-36.9	0	0	0	113.1	H49 F119 F124 V183 F193	P45-H49 VanDerWaalsContact CD-ND1 3.35Å; P45-H49 WeakPolarHBondContact CD-ND1 3.39Å; P45-F119 HydrophobicContact CB-CD1 3.79Å; P45-F119 HydrophobicContact CB-CD2 4.1Å; P45-F119 HydrophobicContact CB-CE1 3.62Å; P45-F119 HydrophobicContact CB-CE2 3.94Å; P45-F119 HydrophobicContact CB-CG 4.03Å; P45-F119 HydrophobicContact CB-CZ 3.69Å; P45-F119 HydrophobicContact CG-CD2 4.43Å; P45-F119 HydrophobicContact CG-CE1 4.12Å; P45-F119 HydrophobicContact CG-CE2 3.86Å; P45-F119 HydrophobicContact CG-CZ 3.68Å; P45-F119 VanDerWaalsContact O-CE1 3.31Å; P45-F119 WeakPolarHBondContact O-CE1 3.49Å; P45-F124 HydrophobicContact CB-CE1 3.53Å; P45-F124 HydrophobicContact CB-CZ 3.69Å; P45-F124 HydrophobicContact CG-CE1 4Å; P45-F124 HydrophobicContact CG-CZ 3.7Å; P45-V183 HydrophobicContact CB-CG1 4.19Å; P45-V183 HydrophobicContact CB-CG2 4.45Å; P45-F193 HydrophobicContact CG-CE2 3.75Å; P45-F193 HydrophobicContact CG-CZ 3.68Å
46	S	92.4	Very high	92	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	16%	0.16	C	C	.	.	S	Bend	trans	-144.4	169.4	176.9	90.8	0	0	0	0	112.6	S44 E48 H49 C50	S44-S46 VanDerWaalsContact C-N 3.3Å; S44-S46 PolarHBondContact O-N 3.41Å; S44-S46 PolarHBondContact OG-O 2.82Å; S46-E48 WeakPolarHBondContact CB-OE2 3.47Å; S46-E48 PolarHBondContact OG-N 2.9Å; S46-E48 PolarHBondContact OG-OE2 3.35Å; S46-H49 PolarHBondContact OG-N 3.13Å; S46-H49 VanDerWaalsContact OG-N 3.13Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.4Å; S46-C50 VanDerWaalsContact O-N 3.08Å
47	V	93.8	Very high	91.8	Very high	9 Å²	9	29 Å²	29	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-33.7	175.8	65.5	0	0	0	0	111.7	L28 C50 Q51 F63 F65 I99	L28-V47 HydrophobicContact CD1-CB 4.49Å; L28-V47 HydrophobicContact CD1-CG1 3.7Å; L28-V47 HydrophobicContact CD1-CG2 3.95Å; L28-V47 HydrophobicContact CD2-CG2 3.95Å; V47-C50 WeakPolarHBondContact O-CB 2.88Å; V47-C50 PolarHBondContact O-N 3.36Å; V47-Q51 PolarHBondContact O-N 2.65Å; V47-F63 HydrophobicContact CG2-CE2 3.73Å; V47-F63 HydrophobicContact CG2-CZ 4.04Å; V47-F65 HydrophobicContact CB-CD1 3.74Å; V47-F65 HydrophobicContact CB-CE1 4.33Å; V47-F65 HydrophobicContact CB-CG 4.34Å; V47-F65 HydrophobicContact CG2-CB 4.22Å; V47-F65 HydrophobicContact CG2-CD1 4.28Å; V47-I99 HydrophobicContact CB-CD1 4.15Å; V47-I99 HydrophobicContact CG1-CD1 4.2Å; V47-I99 HydrophobicContact CG2-CB 3.9Å; V47-I99 HydrophobicContact CG2-CD1 4.34Å; V47-I99 HydrophobicContact CG2-CG2 3.66Å
48	E	89.9	Confident	91.6	Very high	91 Å²	91	27.7 Å²	27.7	43%	0.425	14%	0.139	S	C	.	.	H	α-helix	trans	-65.8	-43.5	176.6	-57.7	71.9	-156.2	0	0	110.5	S46 C50 Q51 Q52 F115	S46-E48 WeakPolarHBondContact CB-OE2 3.47Å; S46-E48 PolarHBondContact OG-N 2.9Å; S46-E48 PolarHBondContact OG-OE2 3.35Å; E48-C50 VanDerWaalsContact C-N 3.3Å; E48-C50 PolarHBondContact O-N 3.44Å; E48-Q51 PolarHBondContact O-N 2.97Å; E48-Q52 PolarHBondContact O-N 3.04Å; E48-F115 HydrophobicContact CB-CE1 4.1Å
49	H	88.8	Confident	91.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-36.2	173.5	-179.3	-99.4	0	0	0	111	S44 P45 S46 Q52 L53 F115 P178 F193	S44-H49 WeakPolarHBondContact OG-CB 3.39Å; S44-H49 PolarHBondContact OG-ND1 2.86Å; P45-H49 VanDerWaalsContact CD-ND1 3.35Å; P45-H49 WeakPolarHBondContact CD-ND1 3.39Å; S46-H49 PolarHBondContact OG-N 3.13Å; S46-H49 VanDerWaalsContact OG-N 3.13Å; H49-Q52 WeakPolarHBondContact O-CB 3.43Å; H49-Q52 PolarHBondContact O-N 2.95Å; H49-L53 WeakPolarHBondContact O-CG 2.78Å; H49-L53 PolarHBondContact O-N 3.46Å; H49-F115 HydrophobicContact CB-CD1 4.32Å; H49-F115 HydrophobicContact CB-CE1 3.81Å; H49-F115 HydrophobicContact CB-CZ 4.14Å; H49-P178 PolarHBondContact NE2-O 3.14Å; H49-F193 AromaticContact CD2-CZ 3.9Å; H49-F193 AromaticContact NE2-CZ 4Å
50	C	93.3	Very high	91.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-41.7	175.4	-179.9	0	0	0	0	111.9	S44 S46 V47 E48 Q52 L53 C54 F63 F65 C79	S44-C50 WeakPolarHBondContact OG-CA 3.46Å; S44-C50 PolarHBondContact OG-N 3.28Å; S46-C50 WeakPolarHBondContact O-CB 3.42Å; S46-C50 PolarHBondContact O-N 3.4Å; S46-C50 VanDerWaalsContact O-N 3.08Å; V47-C50 WeakPolarHBondContact O-CB 2.88Å; V47-C50 PolarHBondContact O-N 3.36Å; E48-C50 VanDerWaalsContact C-N 3.3Å; E48-C50 PolarHBondContact O-N 3.44Å; C50-Q52 VanDerWaalsContact C-N 3.32Å; C50-Q52 PolarHBondContact O-N 2.74Å; C50-L53 PolarHBondContact O-N 3.43Å; C50-C54 PolarHBondContact O-N 2.83Å; C50-F63 HydrophobicContact CB-CD2 4.27Å; C50-F63 HydrophobicContact CB-CE2 4.31Å; C50-F63 WeakPolarHBondContact SG-CD2 3.26Å; C50-F65 HydrophobicContact CB-CB 4.18Å; C50-F65 HydrophobicContact CB-CD2 4.08Å; C50-F65 HydrophobicContact CB-CG 4.28Å; C50-C79 WeakPolarHBondContact CA-SG 3.28Å; C50-C79 HydrophobicContact CB-CB 3.71Å; C50-C79 WeakPolarHBondContact CB-SG 3.31Å; C50-C79 VanDerWaalsContact SG-CA 3.55Å; C50-C79 WeakPolarHBondContact SG-CB 3.49Å; C50-C79 CovalentContact SG-SG 2.02Å; C50-C79 PolarHBondContact SG-SG 3.35Å
51	Q	92.3	Very high	91.4	Very high	22 Å²	22	22.9 Å²	22.9	10%	0.103	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-39.7	173.5	-177.1	168.6	53.5	0	0	111.8	V47 E48 C54 T55 F63 F102 L104	V47-Q51 PolarHBondContact O-N 2.65Å; E48-Q51 PolarHBondContact O-N 2.97Å; Q51-C54 PolarHBondContact O-N 3.03Å; Q51-T55 WeakPolarHBondContact O-CB 3.09Å; Q51-T55 PolarHBondContact O-N 3.03Å; Q51-T55 PolarHBondContact O-OG1 2.92Å; Q51-F63 HydrophobicContact CB-CD1 4.45Å; Q51-F63 HydrophobicContact CB-CE1 3.52Å; Q51-F63 HydrophobicContact CB-CZ 3.66Å; Q51-F63 HydrophobicContact CG-CE1 3.75Å; Q51-F63 HydrophobicContact CG-CZ 4.27Å; Q51-F102 PolarHBondContact NE2-O 2.8Å; Q51-L104 HydrophobicContact CG-CD1 4.19Å; Q51-L104 HydrophobicContact CG-CG 3.96Å
52	Q	87.9	Confident	91.6	Very high	21 Å²	21	18.8 Å²	18.8	10%	0.098	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-46.2	174.3	-169.6	-160.5	22	0	0	111.1	E48 H49 C50 C54 T55 Q56 P113 F115	E48-Q52 PolarHBondContact O-N 3.04Å; H49-Q52 WeakPolarHBondContact O-CB 3.43Å; H49-Q52 PolarHBondContact O-N 2.95Å; C50-Q52 VanDerWaalsContact C-N 3.32Å; C50-Q52 PolarHBondContact O-N 2.74Å; Q52-C54 VanDerWaalsContact C-N 3.3Å; Q52-C54 PolarHBondContact O-N 2.94Å; Q52-T55 CarbonylContact O-C 3.59Å; Q52-T55 WeakPolarHBondContact O-CA 3.12Å; Q52-T55 WeakPolarHBondContact O-CB 3.49Å; Q52-T55 PolarHBondContact O-N 3.28Å; Q52-Q56 HydrophobicContact CG-CG 4.27Å; Q52-Q56 WeakPolarHBondContact O-CG 3.3Å; Q52-Q56 PolarHBondContact O-N 3.03Å; Q52-P113 HydrophobicContact CB-CG 4.27Å; Q52-P113 HydrophobicContact CG-CG 3.81Å; Q52-F115 HydrophobicContact CB-CZ 3.98Å; Q52-F115 HydrophobicContact CG-CZ 4.34Å
53	L	89.4	Confident	91.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.8	-45.3	175.3	-70.2	174	0	0	0	111.3	L42 H49 C50 Q56 H57 L81 I348	L42-L53 HydrophobicContact CB-CD1 3.97Å; L42-L53 HydrophobicContact CD1-CB 4.18Å; L42-L53 HydrophobicContact CD1-CD1 4Å; L42-L53 HydrophobicContact CD1-CD2 4.05Å; L42-L53 HydrophobicContact CD1-CG 4.31Å; H49-L53 WeakPolarHBondContact O-CG 2.78Å; H49-L53 PolarHBondContact O-N 3.46Å; C50-L53 PolarHBondContact O-N 3.43Å; L53-Q56 PolarHBondContact O-N 3.19Å; L53-H57 WeakPolarHBondContact O-CB 3.32Å; L53-H57 PolarHBondContact O-N 2.99Å; L53-L81 HydrophobicContact CB-CD2 4.4Å; L53-I348 HydrophobicContact CD2-CG2 3.83Å
54	C	92.5	Very high	92.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-40.4	174.4	-173.8	0	0	0	0	112.3	C50 Q51 Q52 Q56 H57 C60 F63 L81 K105	C50-C54 PolarHBondContact O-N 2.83Å; Q51-C54 PolarHBondContact O-N 3.03Å; Q52-C54 VanDerWaalsContact C-N 3.3Å; Q52-C54 PolarHBondContact O-N 2.94Å; C54-Q56 VanDerWaalsContact C-N 3.31Å; C54-Q56 PolarHBondContact O-N 2.04Å; C54-H57 PolarHBondContact O-N 3.47Å; C54-C60 WeakPolarHBondContact CA-SG 3.45Å; C54-C60 HydrophobicContact CB-CB 4.06Å; C54-C60 WeakPolarHBondContact CB-SG 3.2Å; C54-C60 WeakPolarHBondContact O-CB 3.2Å; C54-C60 WeakPolarHBondContact SG-CB 3.37Å; C54-C60 CovalentContact SG-SG 2.05Å; C54-C60 PolarHBondContact SG-SG 3.08Å; C54-F63 HydrophobicContact CB-CB 4.2Å; C54-F63 HydrophobicContact CB-CD1 3.96Å; C54-F63 HydrophobicContact CB-CG 4.41Å; C54-L81 HydrophobicContact CB-CD2 3.73Å; C54-K105 PolarHBondContact O-NZ 2.79Å
55	T	88.9	Confident	92.4	Very high	8 Å²	8	16.3 Å²	16.3	5%	0.049	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-39	178.3	-59	0	0	0	0	111.6	Q51 Q52 L104 K105	Q51-T55 WeakPolarHBondContact O-CB 3.09Å; Q51-T55 PolarHBondContact O-N 3.03Å; Q51-T55 PolarHBondContact O-OG1 2.92Å; Q52-T55 CarbonylContact O-C 3.59Å; Q52-T55 WeakPolarHBondContact O-CA 3.12Å; Q52-T55 WeakPolarHBondContact O-CB 3.49Å; Q52-T55 PolarHBondContact O-N 3.28Å; T55-L104 HydrophobicContact CG2-CB 4.05Å; T55-L104 PolarHBondContact OG1-N 3.46Å; T55-K105 HydrophobicContact CG2-CG 4.31Å; T55-K105 WeakPolarHBondContact O-CE 3.18Å; T55-K105 WeakPolarHBondContact O-CG 3.38Å; T55-K105 PolarHBondContact O-NZ 3.18Å; T55-K105 VanDerWaalsContact O-NZ 3.14Å
56	Q	85.3	Confident	92.6	Very high	27 Å²	27	16.3 Å²	16.3	13%	0.126	9%	0.089	C	C	.	.	H	α-helix	trans	-80.1	-27.6	178.7	-61.3	-58.3	-36.6	0	0	113.3	Q52 L53 C54 V177 R346 I348	Q52-Q56 HydrophobicContact CG-CG 4.27Å; Q52-Q56 WeakPolarHBondContact O-CG 3.3Å; Q52-Q56 PolarHBondContact O-N 3.03Å; L53-Q56 PolarHBondContact O-N 3.19Å; C54-Q56 VanDerWaalsContact C-N 3.31Å; C54-Q56 PolarHBondContact O-N 2.04Å; Q56-V177 HydrophobicContact CG-CG2 4.44Å; Q56-R346 WeakPolarHBondContact O-CD 3.46Å; Q56-R346 WeakPolarHBondContact O-CG 3.5Å; Q56-R346 VanDerWaalsContact OE1-NE 3.14Å; Q56-I348 HydrophobicContact CB-CB 4.44Å; Q56-I348 HydrophobicContact CB-CG1 4.22Å; Q56-I348 HydrophobicContact CB-CG2 4.3Å
57	H	90.3	Very high	92.8	Very high	30 Å²	30	17.4 Å²	17.4	14%	0.139	9%	0.091	C	C	.	.	S	Bend	trans	-69.5	126.2	179.2	-171.3	-66.3	0	0	0	111.4	L53 C54 A59 C60 L81 K105 I348	L53-H57 WeakPolarHBondContact O-CB 3.32Å; L53-H57 PolarHBondContact O-N 2.99Å; C54-H57 PolarHBondContact O-N 3.47Å; H57-A59 PolarHBondContact ND1-N 3.03Å; H57-A59 VanDerWaalsContact ND1-N 3.18Å; H57-A59 PolarHBondContact O-N 3.39Å; H57-C60 HydrophobicContact CB-CB 3.74Å; H57-C60 PolarHBondContact ND1-N 2.79Å; H57-C60 PolarHBondContact O-N 2.96Å; H57-L81 HydrophobicContact CB-CD1 3.7Å; H57-L81 VanDerWaalsContact CD2-CD1 3.49Å; H57-L81 WeakPolarHBondContact CD2-CD1 3.22Å; H57-K105 WeakPolarHBondContact O-CE 3.35Å; H57-K105 PolarHBondContact O-NZ 2.87Å; H57-I348 HydrophobicContact CB-CD1 3.63Å; H57-I348 HydrophobicContact CB-CG1 3.84Å; H57-I348 VanDerWaalsContact CD2-CD1 3.4Å; H57-I348 WeakPolarHBondContact CD2-CD1 3.49Å
58	P	90.9	Very high	92.8	Very high	17 Å²	17	19.4 Å²	19.4	11%	0.11	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-47.1	-171.4	19.2	-31.5	0	0	0	113.1	S300 I302 R346	P58-S300 WeakPolarHBondContact CB-O 3.37Å; P58-I302 HydrophobicContact CB-CG1 4.13Å; P58-R346 WeakPolarHBondContact CB-O 3.29Å; P58-R346 VanDerWaalsContact CD-O 3.3Å; P58-R346 WeakPolarHBondContact CD-O 3.31Å; P58-R346 VanDerWaalsContact CG-O 3.23Å; P58-R346 WeakPolarHBondContact CG-O 3.35Å
59	A	92.9	Very high	93	Very high	42 Å²	42	19.2 Å²	19.2	35%	0.347	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.4	-178	0	0	0	0	0	116.1	I39 H57 S83	I39-A59 HydrophobicContact CD1-CB 3.85Å; H57-A59 PolarHBondContact ND1-N 3.03Å; H57-A59 VanDerWaalsContact ND1-N 3.18Å; H57-A59 PolarHBondContact O-N 3.39Å; A59-S83 WeakPolarHBondContact O-CB 3.33Å; A59-S83 PolarHBondContact O-OG 2.8Å
60	C	94.4	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.			trans	-77.5	131.3	-170.2	-173	0	0	0	0	111.7	I39 C54 H57 F62 L81 K105	I39-C60 HydrophobicContact CD1-CB 4.13Å; C54-C60 WeakPolarHBondContact CA-SG 3.45Å; C54-C60 HydrophobicContact CB-CB 4.06Å; C54-C60 WeakPolarHBondContact CB-SG 3.2Å; C54-C60 WeakPolarHBondContact O-CB 3.2Å; C54-C60 WeakPolarHBondContact SG-CB 3.37Å; C54-C60 CovalentContact SG-SG 2.05Å; C54-C60 PolarHBondContact SG-SG 3.08Å; H57-C60 HydrophobicContact CB-CB 3.74Å; H57-C60 PolarHBondContact ND1-N 2.79Å; H57-C60 PolarHBondContact O-N 2.96Å; C60-F62 PolarHBondContact SG-O 2.76Å; C60-L81 HydrophobicContact CB-CB 4.17Å; C60-K105 PolarHBondContact O-NZ 2.76Å
61	L	94.1	Very high	93.3	Very high	57 Å²	57	25.9 Å²	25.9	30%	0.298	15%	0.146	S	C	.	.	S	Bend	trans	-114.3	-31.3	180	-59.7	178.6	0	0	0	111.7	K82 S83 S103	L61-K82 PolarHBondContact N-O 2.65Å; L61-S83 WeakPolarHBondContact CD1-OG 3.26Å; L61-S103 WeakPolarHBondContact O-CB 3.3Å; L61-S103 PolarHBondContact O-N 2.93Å
62	F	96.3	Very high	93.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	169.5	176.6	50.5	-92.8	0	0	0	110.4	F34 C60 K82 T84 P89 G101 F102	F34-F62 HydrophobicContact CB-CD2 4.16Å; F34-F62 HydrophobicContact CB-CE2 4.28Å; F34-F62 HydrophobicContact CD2-CB 3.99Å; F34-F62 AromaticContact CD2-CD2 3.6Å; F34-F62 HydrophobicContact CD2-CD2 3.6Å; F34-F62 HydrophobicContact CD2-CE2 4.45Å; F34-F62 HydrophobicContact CD2-CG 4.1Å; F34-F62 HydrophobicContact CE2-CB 3.99Å; F34-F62 HydrophobicContact CE2-CD2 4.39Å; F34-F62 HydrophobicContact CE2-CG 4.46Å; F34-F62 HydrophobicContact CG-CD2 4.27Å; C60-F62 PolarHBondContact SG-O 2.76Å; F62-K82 HydrophobicContact CD2-CB 3.48Å; F62-K82 VanDerWaalsContact CD2-CB 3.48Å; F62-K82 HydrophobicContact CD2-CD 3.96Å; F62-K82 HydrophobicContact CD2-CG 4.37Å; F62-K82 HydrophobicContact CE2-CB 3.33Å; F62-K82 HydrophobicContact CE2-CD 3.95Å; F62-K82 HydrophobicContact CE2-CG 4.28Å; F62-K82 HydrophobicContact CG-CB 4.41Å; F62-K82 HydrophobicContact CZ-CB 4.15Å; F62-K82 PolarHBondContact N-O 2.95Å; F62-K82 CarbonylContact O-C 3.59Å; F62-K82 WeakPolarHBondContact O-CA 3.39Å; F62-K82 WeakPolarHBondContact O-CB 3.08Å; F62-K82 PolarHBondContact O-N 2.77Å; F62-K82 VanDerWaalsContact O-O 3.08Å; F62-T84 HydrophobicContact CE1-CG2 4.26Å; F62-T84 HydrophobicContact CZ-CG2 3.76Å; F62-P89 HydrophobicContact CD2-CB 4.23Å; F62-P89 HydrophobicContact CE2-CB 3.91Å; F62-P89 HydrophobicContact CZ-CB 4.1Å; F62-G101 CarbonylContact C-O 3.59Å; F62-G101 VanDerWaalsContact CA-O 3.25Å; F62-G101 WeakPolarHBondContact CA-O 3.18Å; F62-G101 VanDerWaalsContact CB-O 3.25Å; F62-G101 WeakPolarHBondContact CB-O 3.27Å; F62-F102 HydrophobicContact CB-CD1 3.82Å; F62-F102 HydrophobicContact CB-CE1 4.12Å; F62-F102 HydrophobicContact CB-CG 4.37Å; F62-F102 HydrophobicContact CD1-CE1 4.48Å
63	F	97.6	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.2	-175.1	67.4	-90.5	0	0	0	112.1	L28 V47 C50 Q51 C54 F65 Y80 L81 S100 G101	L28-F63 HydrophobicContact CD2-CZ 3.78Å; V47-F63 HydrophobicContact CG2-CE2 3.73Å; V47-F63 HydrophobicContact CG2-CZ 4.04Å; C50-F63 HydrophobicContact CB-CD2 4.27Å; C50-F63 HydrophobicContact CB-CE2 4.31Å; C50-F63 WeakPolarHBondContact SG-CD2 3.26Å; Q51-F63 HydrophobicContact CB-CD1 4.45Å; Q51-F63 HydrophobicContact CB-CE1 3.52Å; Q51-F63 HydrophobicContact CB-CZ 3.66Å; Q51-F63 HydrophobicContact CG-CE1 3.75Å; Q51-F63 HydrophobicContact CG-CZ 4.27Å; C54-F63 HydrophobicContact CB-CB 4.2Å; C54-F63 HydrophobicContact CB-CD1 3.96Å; C54-F63 HydrophobicContact CB-CG 4.41Å; F63-F65 HydrophobicContact CD2-CB 4.35Å; F63-F65 HydrophobicContact CE2-CB 4.3Å; F63-Y80 CarbonylContact C-O 3.49Å; F63-Y80 WeakPolarHBondContact CA-O 3.19Å; F63-Y80 VanDerWaalsContact CB-O 3.23Å; F63-Y80 WeakPolarHBondContact CB-O 3.27Å; F63-L81 HydrophobicContact CB-CD2 4.4Å; F63-S100 VanDerWaalsContact O-CA 3.23Å; F63-S100 WeakPolarHBondContact O-CA 3.42Å; F63-S100 WeakPolarHBondContact O-CB 3.03Å; F63-G101 WeakPolarHBondContact CD1-O 3.08Å; F63-G101 PolarHBondContact N-O 3.46Å; F63-G101 PolarHBondContact O-N 3.07Å
64	T	98.3	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.8	161.7	-59	0	0	0	0	108.6	D33 F34 I66 Y80 K82 V98 S100	D33-T64 WeakPolarHBondContact OD1-CB 3.35Å; D33-T64 WeakPolarHBondContact OD1-CG2 3.45Å; D33-T64 PolarHBondContact OD1-OG1 2.86Å; F34-T64 PolarHBondContact N-OG1 3.12Å; T64-I66 HydrophobicContact CG2-CD1 4.34Å; T64-Y80 PolarHBondContact N-O 3.35Å; T64-Y80 PolarHBondContact O-N 2.89Å; T64-K82 WeakPolarHBondContact OG1-CE 3.35Å; T64-V98 HydrophobicContact CG2-CB 3.81Å; T64-V98 HydrophobicContact CG2-CG1 4.25Å; T64-V98 HydrophobicContact CG2-CG2 4.14Å; T64-S100 PolarHBondContact OG1-OG 3.34Å
65	F	98.1	Very high	93.9	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.2	172.8	176.8	-120.6	0	0	0	111	S44 V47 C50 F63 R67 Y78 C79 V98 I99	S44-F65 WeakPolarHBondContact O-CE2 3.49Å; V47-F65 HydrophobicContact CB-CD1 3.74Å; V47-F65 HydrophobicContact CB-CE1 4.33Å; V47-F65 HydrophobicContact CB-CG 4.34Å; V47-F65 HydrophobicContact CG2-CB 4.22Å; V47-F65 HydrophobicContact CG2-CD1 4.28Å; C50-F65 HydrophobicContact CB-CB 4.18Å; C50-F65 HydrophobicContact CB-CD2 4.08Å; C50-F65 HydrophobicContact CB-CG 4.28Å; F63-F65 HydrophobicContact CD2-CB 4.35Å; F63-F65 HydrophobicContact CE2-CB 4.3Å; F65-R67 HydrophobicContact CD1-CG 4.2Å; F65-R67 HydrophobicContact CE1-CG 4.24Å; F65-Y78 CarbonylContact C-O 3.6Å; F65-Y78 WeakPolarHBondContact CA-O 3.49Å; F65-C79 HydrophobicContact CD2-CB 4.48Å; F65-V98 CarbonylContact O-C 3.5Å; F65-V98 VanDerWaalsContact O-CA 3.23Å; F65-V98 WeakPolarHBondContact O-CA 3.48Å; F65-I99 WeakPolarHBondContact CB-O 3.35Å; F65-I99 PolarHBondContact N-O 3.38Å; F65-I99 PolarHBondContact O-N 3.22Å
66	I	97.9	Very high	94.2	Very high	5 Å²	5	42 Å²	42	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.4	171.5	-50.3	-56.9	0	0	0	108.8	T64 W70 R75 F77 Y78 Y80 V98	T64-I66 HydrophobicContact CG2-CD1 4.34Å; I66-W70 HydrophobicContact CG2-CB 3.6Å; I66-W70 HydrophobicContact CG2-CD2 3.6Å; I66-W70 HydrophobicContact CG2-CE3 4.03Å; I66-W70 HydrophobicContact CG2-CG 3.41Å; I66-W70 VanDerWaalsContact CG2-CG 3.41Å; I66-R75 VanDerWaalsContact CB-O 3.27Å; I66-R75 WeakPolarHBondContact CB-O 3.43Å; I66-R75 WeakPolarHBondContact CG2-O 3.33Å; I66-F77 WeakPolarHBondContact O-CA 3.24Å; I66-F77 PolarHBondContact O-N 3.21Å; I66-Y78 PolarHBondContact N-O 3.45Å; I66-Y80 HydrophobicContact CD1-CD2 4.34Å; I66-Y80 HydrophobicContact CD1-CE2 4.13Å; I66-Y80 HydrophobicContact CG1-CD2 4.09Å; I66-Y80 HydrophobicContact CG1-CE2 3.78Å; I66-V98 HydrophobicContact CD1-CB 4.4Å; I66-V98 HydrophobicContact CD1-CG1 3.42Å; I66-V98 VanDerWaalsContact CD1-CG1 3.42Å
67	R	96.8	Very high	94.7	Very high	31 Å²	31	40.8 Å²	40.8	12%	0.117	23%	0.227	C	C	.	.			trans	-73.3	164.9	-172.1	-66.9	-164.8	-56.3	-110.9	13.9	112.9	N31 F65 D69 W70 G97 V98 I99	N31-R67 VanDerWaalsContact OD1-CZ 3.31Å; N31-R67 PolarHBondContact OD1-NH1 2.9Å; N31-R67 PolarHBondContact OD1-NH2 3.19Å; F65-R67 HydrophobicContact CD1-CG 4.2Å; F65-R67 HydrophobicContact CE1-CG 4.24Å; R67-D69 WeakPolarHBondContact CB-OD1 3.1Å; R67-D69 IonicContact CZ-OD1 2.64Å; R67-D69 IonicContact CZ-OD2 3.29Å; R67-D69 IonicContact NE-OD1 3.74Å; R67-D69 PolarHBondContact NE-OD1 3.23Å; R67-D69 IonicContact NE-OD2 3Å; R67-D69 PolarHBondContact NE-OD2 3.19Å; R67-D69 IonicContact NH2-OD1 3.61Å; R67-D69 IonicContact NH2-OD2 3.86Å; R67-D69 PolarHBondContact NH2-OD2 3.43Å; R67-D69 PolarHBondContact O-N 3.25Å; R67-W70 VanDerWaalsContact O-CB 3.27Å; R67-W70 WeakPolarHBondContact O-CB 3.36Å; R67-W70 PolarHBondContact O-N 2.99Å; R67-G97 VanDerWaalsContact CB-O 3.26Å; R67-G97 WeakPolarHBondContact CB-O 3.16Å; R67-G97 WeakPolarHBondContact CG-O 3.48Å; R67-G97 VanDerWaalsContact CZ-CA 3.43Å; R67-G97 PolarHBondContact N-O 3Å; R67-G97 VanDerWaalsContact NH2-N 3.19Å; R67-V98 PolarHBondContact NH1-O 2.9Å; R67-I99 HydrophobicContact CG-CD1 3.98Å; R67-I99 HydrophobicContact CG-CG1 3.9Å
68	P	93.9	Very high	95	Very high	51 Å²	51	40.9 Å²	40.9	33%	0.331	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23	174.9	-18.2	31.2	0	0	0	113.3	W70 H76 F77 K185	P68-W70 VanDerWaalsContact C-N 3.26Å; P68-W70 PolarHBondContact O-N 3.03Å; P68-H76 PolarHBondContact O-CD2 2.78Å; P68-F77 HydrophobicContact CB-CE1 3.8Å; P68-F77 HydrophobicContact CB-CZ 3.78Å; P68-F77 HydrophobicContact CG-CD1 4.02Å; P68-F77 HydrophobicContact CG-CE1 3.44Å; P68-F77 VanDerWaalsContact CG-CE1 3.44Å; P68-F77 HydrophobicContact CG-CZ 3.99Å; P68-K185 WeakPolarHBondContact O-CE 3.05Å; P68-K185 PolarHBondContact O-NZ 2.78Å
69	D	93.4	Very high	95.2	Very high	86 Å²	86	40 Å²	40	46%	0.46	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	6.3	177.3	65.2	-34.3	0	0	0	113.5	R67 T71	R67-D69 WeakPolarHBondContact CB-OD1 3.1Å; R67-D69 IonicContact CZ-OD1 2.64Å; R67-D69 IonicContact CZ-OD2 3.29Å; R67-D69 IonicContact NE-OD1 3.74Å; R67-D69 PolarHBondContact NE-OD1 3.23Å; R67-D69 IonicContact NE-OD2 3Å; R67-D69 PolarHBondContact NE-OD2 3.19Å; R67-D69 IonicContact NH2-OD1 3.61Å; R67-D69 IonicContact NH2-OD2 3.86Å; R67-D69 PolarHBondContact NH2-OD2 3.43Å; R67-D69 PolarHBondContact O-N 3.25Å; D69-T71 WeakPolarHBondContact O-CG2 3.14Å
70	W	94.9	Very high	95.5	Very high	11 Å²	11	39.8 Å²	39.8	4%	0.042	21%	0.211	C	C	.	.			trans	-54.9	139.3	175.8	-176.6	-109.4	0	0	0	112.1	I66 R67 P68 S72 D73 H76 L95 L96 V98	I66-W70 HydrophobicContact CG2-CB 3.6Å; I66-W70 HydrophobicContact CG2-CD2 3.6Å; I66-W70 HydrophobicContact CG2-CE3 4.03Å; I66-W70 HydrophobicContact CG2-CG 3.41Å; I66-W70 VanDerWaalsContact CG2-CG 3.41Å; R67-W70 VanDerWaalsContact O-CB 3.27Å; R67-W70 WeakPolarHBondContact O-CB 3.36Å; R67-W70 PolarHBondContact O-N 2.99Å; P68-W70 VanDerWaalsContact C-N 3.26Å; P68-W70 PolarHBondContact O-N 3.03Å; W70-S72 WeakPolarHBondContact CZ2-OG 3.32Å; W70-D73 PolarHBondContact NE1-OD1 3.18Å; W70-H76 PolarHBondContact O-CD2 3.22Å; W70-H76 PolarHBondContact O-NE2 2.92Å; W70-L95 HydrophobicContact CH2-CD1 4.16Å; W70-L95 HydrophobicContact CH2-CD2 4.02Å; W70-L95 HydrophobicContact CH2-CG 4.28Å; W70-L95 HydrophobicContact CZ3-CD1 4.25Å; W70-L95 HydrophobicContact CZ3-CD2 4.13Å; W70-L95 HydrophobicContact CZ3-CG 4.08Å; W70-L96 VanDerWaalsContact CZ3-O 3.29Å; W70-L96 WeakPolarHBondContact CZ3-O 3.39Å; W70-V98 HydrophobicContact CE3-CG1 4.14Å; W70-V98 HydrophobicContact CZ3-CG1 3.77Å
71	T	94	Very high	95.6	Very high	130 Å²	130	39.8 Å²	39.8	80%	0.798	21%	0.211	S	C	*	.			trans	-127.3	-9	-175.1	55.6	0	0	0	0	114.2	D69	D69-T71 WeakPolarHBondContact O-CG2 3.14Å
72	S	94.1	Very high	95.7	Very high	84 Å²	84	37.2 Å²	37.2	59%	0.587	20%	0.198	S	C	*	.	S	Bend	trans	-77.3	-31.2	-173.9	-46.6	0	0	0	0	113.2	W70	W70-S72 WeakPolarHBondContact CZ2-OG 3.32Å
73	D	94.1	Very high	95.7	Very high	59 Å²	59	39 Å²	39	32%	0.316	21%	0.21	S	C	.	.	S	Bend	trans	-163	-162.2	179.4	58.4	43.4	0	0	0	111.6	W70 R75 H76	W70-D73 PolarHBondContact NE1-OD1 3.18Å; D73-R75 VanDerWaalsContact CG-NE 3.26Å; D73-R75 WeakPolarHBondContact OD1-CB 3.23Å; D73-R75 WeakPolarHBondContact OD1-CG 3.43Å; D73-R75 IonicContact OD1-CZ 3.91Å; D73-R75 PolarHBondContact OD1-N 3.06Å; D73-R75 IonicContact OD1-NE 2.91Å; D73-R75 PolarHBondContact OD1-NE 2.82Å; D73-R75 IonicContact OD1-NH2 2.94Å; D73-R75 IonicContact OD2-CZ 3.29Å; D73-R75 IonicContact OD2-NE 3.96Å; D73-R75 PolarHBondContact OD2-NE 3.36Å; D73-R75 IonicContact OD2-NH2 3.88Å; D73-R75 PolarHBondContact OD2-NH2 3.27Å; D73-H76 PolarHBondContact O-CE1 2.97Å; D73-H76 VanDerWaalsContact O-CE1 3.28Å
74	N	91.4	Very high	95.6	Very high	130 Å²	130	39.6 Å²	39.6	70%	0.695	21%	0.214	S	C	*	.	S	Bend	trans	-85.9	3.8	-175.9	67.1	-11	0	0	0	115.2	H76	N74-H76 PolarHBondContact O-N 2.91Å; N74-H76 PolarHBondContact O-ND1 3.44Å
75	R	94.8	Very high	95.3	Very high	76 Å²	76	46.6 Å²	46.6	29%	0.287	26%	0.26	S	S	.	.			trans	-76.6	23.8	-173.8	-63.8	-179.3	-71.8	162.8	-5.2	115.6	I66 D73 F77 Y78 Y80	I66-R75 VanDerWaalsContact CB-O 3.27Å; I66-R75 WeakPolarHBondContact CB-O 3.43Å; I66-R75 WeakPolarHBondContact CG2-O 3.33Å; D73-R75 VanDerWaalsContact CG-NE 3.26Å; D73-R75 WeakPolarHBondContact OD1-CB 3.23Å; D73-R75 WeakPolarHBondContact OD1-CG 3.43Å; D73-R75 IonicContact OD1-CZ 3.91Å; D73-R75 PolarHBondContact OD1-N 3.06Å; D73-R75 IonicContact OD1-NE 2.91Å; D73-R75 PolarHBondContact OD1-NE 2.82Å; D73-R75 IonicContact OD1-NH2 2.94Å; D73-R75 IonicContact OD2-CZ 3.29Å; D73-R75 IonicContact OD2-NE 3.96Å; D73-R75 PolarHBondContact OD2-NE 3.36Å; D73-R75 IonicContact OD2-NH2 3.88Å; D73-R75 PolarHBondContact OD2-NH2 3.27Å; R75-F77 PolarHBondContact O-N 2.72Å; R75-Y78 HydrophobicContact CB-CD1 4.1Å; R75-Y78 HydrophobicContact CB-CD2 3.9Å; R75-Y78 HydrophobicContact CB-CE1 4.35Å; R75-Y78 HydrophobicContact CB-CE2 4.17Å; R75-Y78 HydrophobicContact CB-CG 3.87Å; R75-Y78 HydrophobicContact CG-CD2 3.93Å; R75-Y78 HydrophobicContact CG-CE2 3.8Å; R75-Y78 HydrophobicContact CG-CG 4.4Å; R75-Y78 VanDerWaalsContact O-CB 3.31Å; R75-Y78 WeakPolarHBondContact O-CB 3.47Å; R75-Y78 VanDerWaalsContact O-CD1 3.28Å; R75-Y78 WeakPolarHBondContact O-CD1 3.16Å; R75-Y78 PolarHBondContact O-N 3.34Å; R75-Y80 VanDerWaalsContact CD-OH 3.22Å; R75-Y80 WeakPolarHBondContact CD-OH 3.27Å; R75-Y80 PolarHBondContact NH1-OH 3.3Å
76	H	94	Very high	95	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.185	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	140.7	173.8	-52.7	88.3	0	0	0	110.4	P68 W70 D73 N74 Y78 K185	P68-H76 PolarHBondContact O-CD2 2.78Å; W70-H76 PolarHBondContact O-CD2 3.22Å; W70-H76 PolarHBondContact O-NE2 2.92Å; D73-H76 PolarHBondContact O-CE1 2.97Å; D73-H76 VanDerWaalsContact O-CE1 3.28Å; N74-H76 PolarHBondContact O-N 2.91Å; N74-H76 PolarHBondContact O-ND1 3.44Å; H76-Y78 WeakPolarHBondContact O-CD1 3.27Å; H76-Y78 PolarHBondContact O-N 2.63Å; H76-K185 PolarHBondContact CD2-NZ 2.63Å; H76-K185 PolarHBondContact NE2-NZ 3.33Å
77	F	95.4	Very high	94.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	8.8	177.9	-50.5	-79.7	0	0	0	115.3	Y43 S44 I66 P68 R75 C79 V122 V183 K185	Y43-F77 HydrophobicContact CD1-CB 4.29Å; S44-F77 PolarHBondContact N-O 3.29Å; S44-F77 WeakPolarHBondContact O-CB 3.36Å; I66-F77 WeakPolarHBondContact O-CA 3.24Å; I66-F77 PolarHBondContact O-N 3.21Å; P68-F77 HydrophobicContact CB-CE1 3.8Å; P68-F77 HydrophobicContact CB-CZ 3.78Å; P68-F77 HydrophobicContact CG-CD1 4.02Å; P68-F77 HydrophobicContact CG-CE1 3.44Å; P68-F77 VanDerWaalsContact CG-CE1 3.44Å; P68-F77 HydrophobicContact CG-CZ 3.99Å; R75-F77 PolarHBondContact O-N 2.72Å; F77-C79 PolarHBondContact O-N 2.95Å; F77-V122 HydrophobicContact CE1-CG1 4.42Å; F77-V122 HydrophobicContact CE1-CG2 4.26Å; F77-V122 HydrophobicContact CZ-CG1 4.24Å; F77-V122 HydrophobicContact CZ-CG2 3.82Å; F77-V183 HydrophobicContact CB-CB 3.9Å; F77-V183 HydrophobicContact CB-CG1 3.99Å; F77-V183 HydrophobicContact CD1-CB 4.43Å; F77-V183 HydrophobicContact CD1-CG1 3.59Å; F77-V183 HydrophobicContact CD2-CB 4.24Å; F77-V183 HydrophobicContact CD2-CG1 3.8Å; F77-V183 VanDerWaalsContact CD2-O 3.27Å; F77-V183 WeakPolarHBondContact CD2-O 3.31Å; F77-V183 HydrophobicContact CE1-CG1 3.87Å; F77-V183 HydrophobicContact CE2-CG1 4.1Å; F77-V183 HydrophobicContact CG-CB 3.97Å; F77-V183 HydrophobicContact CG-CG1 3.53Å; F77-V183 HydrophobicContact CZ-CG1 4.14Å; F77-K185 HydrophobicContact CE2-CG 3.9Å; F77-K185 HydrophobicContact CZ-CG 4.24Å
78	Y	96.6	Very high	94.5	Very high	31 Å²	31	55.1 Å²	55.1	12%	0.122	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.6	176.2	-80.9	35.7	0	0	0	110.1	F41 Y43 F65 I66 R75 H76 Y80	F41-Y78 HydrophobicContact CB-CD2 4.31Å; F41-Y78 AromaticContact CD2-CD2 3.58Å; F41-Y78 HydrophobicContact CD2-CD2 3.58Å; F41-Y78 AromaticContact CD2-CE2 3.55Å; F41-Y78 HydrophobicContact CD2-CE2 3.55Å; F41-Y78 HydrophobicContact CD2-CG 4.14Å; F41-Y78 HydrophobicContact CE2-CD2 4.06Å; F41-Y78 HydrophobicContact CE2-CE1 4.44Å; F41-Y78 AromaticContact CE2-CE2 3.51Å; F41-Y78 HydrophobicContact CE2-CE2 3.51Å; F41-Y78 AromaticContact CE2-CZ 3.73Å; F41-Y78 AromaticContact CG-CD2 3.97Å; F41-Y78 HydrophobicContact CG-CD2 3.97Å; F41-Y78 HydrophobicContact CG-CE2 4.12Å; F41-Y78 HydrophobicContact CZ-CE2 4.06Å; Y43-Y78 HydrophobicContact CD1-CD1 4.3Å; Y43-Y78 HydrophobicContact CD1-CE1 4.36Å; Y43-Y78 AromaticContact CE1-CD1 3.86Å; Y43-Y78 HydrophobicContact CE1-CD1 3.86Å; Y43-Y78 AromaticContact CE1-CE1 3.5Å; Y43-Y78 HydrophobicContact CE1-CE1 3.5Å; Y43-Y78 VanDerWaalsContact CE1-CE1 3.5Å; Y43-Y78 AromaticContact CZ-CE1 3.61Å; Y43-Y78 WeakPolarHBondContact OH-CE1 3.36Å; F65-Y78 CarbonylContact C-O 3.6Å; F65-Y78 WeakPolarHBondContact CA-O 3.49Å; I66-Y78 PolarHBondContact N-O 3.45Å; R75-Y78 HydrophobicContact CB-CD1 4.1Å; R75-Y78 HydrophobicContact CB-CD2 3.9Å; R75-Y78 HydrophobicContact CB-CE1 4.35Å; R75-Y78 HydrophobicContact CB-CE2 4.17Å; R75-Y78 HydrophobicContact CB-CG 3.87Å; R75-Y78 HydrophobicContact CG-CD2 3.93Å; R75-Y78 HydrophobicContact CG-CE2 3.8Å; R75-Y78 HydrophobicContact CG-CG 4.4Å; R75-Y78 VanDerWaalsContact O-CB 3.31Å; R75-Y78 WeakPolarHBondContact O-CB 3.47Å; R75-Y78 VanDerWaalsContact O-CD1 3.28Å; R75-Y78 WeakPolarHBondContact O-CD1 3.16Å; R75-Y78 PolarHBondContact O-N 3.34Å; H76-Y78 WeakPolarHBondContact O-CD1 3.27Å; H76-Y78 PolarHBondContact O-N 2.63Å; Y78-Y80 HydrophobicContact CD2-CE2 4.1Å; Y78-Y80 AromaticContact CD2-CZ 3.83Å
79	C	96.9	Very high	94.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	100.4	170.6	177.4	0	0	0	0	108.4	F41 L42 C50 F65 F77 L81	F41-C79 CarbonylContact C-O 3.55Å; F41-C79 VanDerWaalsContact CA-O 3.29Å; F41-C79 WeakPolarHBondContact CA-O 3.47Å; L42-C79 PolarHBondContact N-O 2.74Å; L42-C79 WeakPolarHBondContact O-CA 3.33Å; L42-C79 WeakPolarHBondContact O-CB 3.42Å; L42-C79 PolarHBondContact O-N 2.89Å; C50-C79 WeakPolarHBondContact CA-SG 3.28Å; C50-C79 HydrophobicContact CB-CB 3.71Å; C50-C79 WeakPolarHBondContact CB-SG 3.31Å; C50-C79 VanDerWaalsContact SG-CA 3.55Å; C50-C79 WeakPolarHBondContact SG-CB 3.49Å; C50-C79 CovalentContact SG-SG 2.02Å; C50-C79 PolarHBondContact SG-SG 3.35Å; F65-C79 HydrophobicContact CD2-CB 4.48Å; F77-C79 PolarHBondContact O-N 2.95Å; C79-L81 PolarHBondContact O-N 3.46Å; C79-L81 VanDerWaalsContact SG-CD2 3.55Å
80	Y	97.7	Very high	94.6	Very high	36 Å²	36	53.9 Å²	53.9	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.3	175.4	-72.8	-80.7	0	0	0	109.7	D38 F41 F63 T64 I66 R75 Y78	D38-Y80 WeakPolarHBondContact OD1-CB 3.37Å; D38-Y80 WeakPolarHBondContact OD1-CD1 2.93Å; F41-Y80 HydrophobicContact CB-CD1 3.74Å; F41-Y80 HydrophobicContact CB-CE1 3.81Å; F41-Y80 HydrophobicContact CB-CG 4.33Å; F41-Y80 HydrophobicContact CG-CE1 4.42Å; F63-Y80 CarbonylContact C-O 3.49Å; F63-Y80 WeakPolarHBondContact CA-O 3.19Å; F63-Y80 VanDerWaalsContact CB-O 3.23Å; F63-Y80 WeakPolarHBondContact CB-O 3.27Å; T64-Y80 PolarHBondContact N-O 3.35Å; T64-Y80 PolarHBondContact O-N 2.89Å; I66-Y80 HydrophobicContact CD1-CD2 4.34Å; I66-Y80 HydrophobicContact CD1-CE2 4.13Å; I66-Y80 HydrophobicContact CG1-CD2 4.09Å; I66-Y80 HydrophobicContact CG1-CE2 3.78Å; R75-Y80 VanDerWaalsContact CD-OH 3.22Å; R75-Y80 WeakPolarHBondContact CD-OH 3.27Å; R75-Y80 PolarHBondContact NH1-OH 3.3Å; Y78-Y80 HydrophobicContact CD2-CE2 4.1Å; Y78-Y80 AromaticContact CD2-CZ 3.83Å
81	L	96.7	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.1	175.8	-58.7	-166.6	0	0	0	109.1	I39 T40 L42 L53 C54 H57 C60 F63 C79 I348	I39-L81 WeakPolarHBondContact CB-O 3.26Å; I39-L81 PolarHBondContact N-O 2.89Å; T40-L81 HydrophobicContact CG2-CB 4.25Å; T40-L81 HydrophobicContact CG2-CD1 4.17Å; T40-L81 HydrophobicContact CG2-CG 4.4Å; T40-L81 PolarHBondContact O-N 3.27Å; L42-L81 HydrophobicContact CD1-CD1 3.73Å; L42-L81 HydrophobicContact CD1-CG 4.44Å; L42-L81 HydrophobicContact CG-CD1 4.3Å; L53-L81 HydrophobicContact CB-CD2 4.4Å; C54-L81 HydrophobicContact CB-CD2 3.73Å; H57-L81 HydrophobicContact CB-CD1 3.7Å; H57-L81 VanDerWaalsContact CD2-CD1 3.49Å; H57-L81 WeakPolarHBondContact CD2-CD1 3.22Å; C60-L81 HydrophobicContact CB-CB 4.17Å; F63-L81 HydrophobicContact CB-CD2 4.4Å; C79-L81 PolarHBondContact O-N 3.46Å; C79-L81 VanDerWaalsContact SG-CD2 3.55Å; L81-I348 HydrophobicContact CD1-CD1 4.38Å
82	K	97.4	Very high	94.7	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.017	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.8	-167.5	-59	167	-178.4	-73.6	0	112.3	F34 G36 S37 D38 L61 F62 T64	F34-K82 HydrophobicContact CB-CD 4.11Å; F34-K82 WeakPolarHBondContact O-CD 3.29Å; F34-K82 WeakPolarHBondContact O-CE 3.34Å; F34-K82 PolarHBondContact O-NZ 2.86Å; G36-K82 PolarHBondContact O-NZ 3.32Å; S37-K82 CarbonylContact O-C 3.58Å; S37-K82 WeakPolarHBondContact O-CA 3.34Å; S37-K82 VanDerWaalsContact O-CB 3.29Å; S37-K82 WeakPolarHBondContact O-CB 3.39Å; D38-K82 WeakPolarHBondContact OD1-CE 3.07Å; D38-K82 WeakPolarHBondContact OD1-CG 3.18Å; D38-K82 IonicContact OD1-NZ 3.03Å; D38-K82 PolarHBondContact OD1-NZ 2.79Å; D38-K82 IonicContact OD2-NZ 3.41Å; L61-K82 PolarHBondContact N-O 2.65Å; F62-K82 HydrophobicContact CD2-CB 3.48Å; F62-K82 VanDerWaalsContact CD2-CB 3.48Å; F62-K82 HydrophobicContact CD2-CD 3.96Å; F62-K82 HydrophobicContact CD2-CG 4.37Å; F62-K82 HydrophobicContact CE2-CB 3.33Å; F62-K82 HydrophobicContact CE2-CD 3.95Å; F62-K82 HydrophobicContact CE2-CG 4.28Å; F62-K82 HydrophobicContact CG-CB 4.41Å; F62-K82 HydrophobicContact CZ-CB 4.15Å; F62-K82 PolarHBondContact N-O 2.95Å; F62-K82 CarbonylContact O-C 3.59Å; F62-K82 WeakPolarHBondContact O-CA 3.39Å; F62-K82 WeakPolarHBondContact O-CB 3.08Å; F62-K82 PolarHBondContact O-N 2.77Å; F62-K82 VanDerWaalsContact O-O 3.08Å; T64-K82 WeakPolarHBondContact OG1-CE 3.35Å
83	S	96.1	Very high	94.9	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	31%	0.307	S	S	.	.			trans	-157.9	147.6	178	-171.9	0	0	0	0	112.5	S37 A59 L61	S37-S83 WeakPolarHBondContact CB-O 3.08Å; S37-S83 PolarHBondContact O-N 2.86Å; A59-S83 WeakPolarHBondContact O-CB 3.33Å; A59-S83 PolarHBondContact O-OG 2.8Å; L61-S83 WeakPolarHBondContact CD1-OG 3.26Å
84	T	95.3	Very high	95.1	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.08	33%	0.33	C	S	.	.			trans	-136.7	155.3	175.2	52.8	0	0	0	0	109.6	S37 F62 S86 G87 Q88	S37-T84 VanDerWaalsContact OG-CG2 3.3Å; S37-T84 WeakPolarHBondContact OG-CG2 3.23Å; F62-T84 HydrophobicContact CE1-CG2 4.26Å; F62-T84 HydrophobicContact CZ-CG2 3.76Å; T84-S86 PolarHBondContact O-N 3.17Å; T84-S86 PolarHBondContact OG1-OG 3.08Å; T84-G87 PolarHBondContact O-N 2.92Å; T84-G87 PolarHBondContact OG1-N 3.34Å; T84-Q88 PolarHBondContact OG1-N 2.9Å; T84-Q88 PolarHBondContact OG1-O 3.37Å
85	P	92.7	Very high	95.4	Very high	148 Å²	148	53.2 Å²	53.2	96%	0.961	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.8	174.8	-25.5	35	0	0	0	114.1	G87	P85-G87 VanDerWaalsContact C-N 3.27Å
86	S	91.8	Very high	95.5	Very high	90 Å²	90	55.8 Å²	55.8	63%	0.629	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.5	176.8	59.9	0	0	0	0	113.5	T84 Q88	T84-S86 PolarHBondContact O-N 3.17Å; T84-S86 PolarHBondContact OG1-OG 3.08Å; S86-Q88 PolarHBondContact O-N 3.28Å; S86-Q88 PolarHBondContact OG-N 3.4Å; S86-Q88 PolarHBondContact OG-O 3.2Å
87	G	89.6	Confident	95.6	Very high	24 Å²	24	54 Å²	54	25%	0.247	32%	0.323	C	S	.	.	S	Bend	trans	70.3	9.9	-171.1	0	0	0	0	0	115.2	T84 P85	T84-G87 PolarHBondContact O-N 2.92Å; T84-G87 PolarHBondContact OG1-N 3.34Å; P85-G87 VanDerWaalsContact C-N 3.27Å
88	Q	92.9	Very high	95.7	Very high	105 Å²	105	54 Å²	54	49%	0.491	32%	0.322	S	S	.	.	S	Bend	trans	-128.9	146.6	-179.7	-65.7	-62.8	-29.9	0	0	111	T84 S86 S90	T84-Q88 PolarHBondContact OG1-N 2.9Å; T84-Q88 PolarHBondContact OG1-O 3.37Å; S86-Q88 PolarHBondContact O-N 3.28Å; S86-Q88 PolarHBondContact OG-N 3.4Å; S86-Q88 PolarHBondContact OG-O 3.2Å; Q88-S90 PolarHBondContact O-N 2.04Å
89	P	94.9	Very high	95.8	Very high	17 Å²	17	53.5 Å²	53.5	11%	0.11	32%	0.322	C	S	.	.			trans	-60.6	138.1	175.4	27.3	-35.2	0	0	0	110.6	F34 F62 S91 Q92 F102	F34-P89 HydrophobicContact CB-CB 3.84Å; F34-P89 HydrophobicContact CD1-CB 3.8Å; F34-P89 HydrophobicContact CD1-CG 3.85Å; F34-P89 HydrophobicContact CD2-CB 4.06Å; F34-P89 HydrophobicContact CD2-CG 4.18Å; F34-P89 HydrophobicContact CE1-CB 4.35Å; F34-P89 HydrophobicContact CE1-CG 3.88Å; F34-P89 HydrophobicContact CE2-CG 4.17Å; F34-P89 HydrophobicContact CG-CB 3.63Å; F34-P89 HydrophobicContact CG-CG 4Å; F34-P89 HydrophobicContact CZ-CG 4.02Å; F62-P89 HydrophobicContact CD2-CB 4.23Å; F62-P89 HydrophobicContact CE2-CB 3.91Å; F62-P89 HydrophobicContact CZ-CB 4.1Å; P89-S91 PolarHBondContact O-N 3.29Å; P89-Q92 HydrophobicContact CG-CG 4.28Å; P89-F102 HydrophobicContact CG-CZ 4.28Å
90	S	94.8	Very high	95.9	Very high	95 Å²	95	53.5 Å²	53.5	66%	0.664	32%	0.322	S	S	*	.	S	Bend	trans	-64.9	-27.8	-177.8	-57.1	0	0	0	0	113	Q88	Q88-S90 PolarHBondContact O-N 2.04Å
91	S	95.7	Very high	95.8	Very high	54 Å²	54	51.8 Å²	51.8	38%	0.378	32%	0.315	S	S	.	.			trans	-155.5	166.5	172.6	61	0	0	0	0	110.3	P35 P89	P35-S91 WeakPolarHBondContact CD-O 3.44Å; P35-S91 WeakPolarHBondContact CG-OG 3.5Å; P89-S91 PolarHBondContact O-N 3.29Å
92	Q	96.7	Very high	95.7	Very high	108 Å²	108	53.2 Å²	53.2	51%	0.505	32%	0.321	S	S	.	.			trans	-130.4	124	174.2	-54.8	-172.3	23.3	0	0	107.5	V32 D33 F34 P89	V32-Q92 HydrophobicContact CG1-CB 3.92Å; D33-Q92 WeakPolarHBondContact O-CA 3.45Å; F34-Q92 HydrophobicContact CD1-CB 4.42Å; F34-Q92 HydrophobicContact CD1-CG 3.86Å; F34-Q92 HydrophobicContact CE1-CB 4.39Å; F34-Q92 HydrophobicContact CE1-CG 3.65Å; P89-Q92 HydrophobicContact CG-CG 4.28Å
93	T	97.3	Very high	95.5	Very high	56 Å²	56	53.5 Å²	53.5	34%	0.344	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.5	-174.8	59.1	0	0	0	0	110.9	V32 D33 P35 L95	V32-T93 CarbonylContact C-O 3.59Å; V32-T93 WeakPolarHBondContact CA-O 3.27Å; D33-T93 PolarHBondContact N-O 3.04Å; D33-T93 PolarHBondContact O-N 3.42Å; P35-T93 HydrophobicContact CG-CG2 4.26Å; T93-L95 PolarHBondContact O-N 3.3Å
94	P	97.9	Very high	95.1	Very high	125 Å²	125	53.1 Å²	53.1	81%	0.812	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.1	172.8	-22.3	33.5	0	0	0	111	N31	N31-P94 CarbonylContact O-C 3.59Å; N31-P94 WeakPolarHBondContact O-CA 3.28Å
95	L	97.4	Very high	94.6	Very high	57 Å²	57	53.4 Å²	53.4	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	115	176.4	-179	61.7	0	0	0	109.5	N31 D33 W70 T93 V98	N31-L95 CarbonylContact C-O 3.58Å; N31-L95 WeakPolarHBondContact CA-O 3.29Å; N31-L95 WeakPolarHBondContact CB-O 3.37Å; N31-L95 PolarHBondContact O-N 2.86Å; D33-L95 HydrophobicContact CB-CB 4.02Å; D33-L95 HydrophobicContact CB-CD2 3.87Å; W70-L95 HydrophobicContact CH2-CD1 4.16Å; W70-L95 HydrophobicContact CH2-CD2 4.02Å; W70-L95 HydrophobicContact CH2-CG 4.28Å; W70-L95 HydrophobicContact CZ3-CD1 4.25Å; W70-L95 HydrophobicContact CZ3-CD2 4.13Å; W70-L95 HydrophobicContact CZ3-CG 4.08Å; T93-L95 PolarHBondContact O-N 3.3Å; L95-V98 HydrophobicContact CB-CG2 3.92Å; L95-V98 HydrophobicContact CD2-CG1 3.77Å; L95-V98 HydrophobicContact CD2-CG2 4.14Å; L95-V98 HydrophobicContact CG-CG1 4.12Å; L95-V98 HydrophobicContact CG-CG2 4.13Å; L95-V98 WeakPolarHBondContact O-CG2 3.42Å
96	L	97.8	Very high	94.1	Very high	130 Å²	130	50.6 Å²	50.6	68%	0.681	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.3	177.9	-178.3	65.9	0	0	0	110.5	W70	W70-L96 VanDerWaalsContact CZ3-O 3.29Å; W70-L96 WeakPolarHBondContact CZ3-O 3.39Å
97	G	96.5	Very high	93.5	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.8	6.1	175.3	0	0	0	0	0	114.6	N31 R67	N31-G97 PolarHBondContact OD1-N 3.1Å; R67-G97 VanDerWaalsContact CB-O 3.26Å; R67-G97 WeakPolarHBondContact CB-O 3.16Å; R67-G97 WeakPolarHBondContact CG-O 3.48Å; R67-G97 VanDerWaalsContact CZ-CA 3.43Å; R67-G97 PolarHBondContact N-O 3Å; R67-G97 VanDerWaalsContact NH2-N 3.19Å
98	V	98.3	Very high	92.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.7	176.4	-50.8	0	0	0	0	112.5	N31 V32 D33 T64 F65 I66 R67 W70 L95	N31-V98 WeakPolarHBondContact CA-O 3.48Å; N31-V98 PolarHBondContact N-O 3.44Å; V32-V98 WeakPolarHBondContact O-CG2 3.47Å; D33-V98 HydrophobicContact CB-CG2 4.13Å; T64-V98 HydrophobicContact CG2-CB 3.81Å; T64-V98 HydrophobicContact CG2-CG1 4.25Å; T64-V98 HydrophobicContact CG2-CG2 4.14Å; F65-V98 CarbonylContact O-C 3.5Å; F65-V98 VanDerWaalsContact O-CA 3.23Å; F65-V98 WeakPolarHBondContact O-CA 3.48Å; I66-V98 HydrophobicContact CD1-CB 4.4Å; I66-V98 HydrophobicContact CD1-CG1 3.42Å; I66-V98 VanDerWaalsContact CD1-CG1 3.42Å; R67-V98 PolarHBondContact NH1-O 2.9Å; W70-V98 HydrophobicContact CE3-CG1 4.14Å; W70-V98 HydrophobicContact CZ3-CG1 3.77Å; L95-V98 HydrophobicContact CB-CG2 3.92Å; L95-V98 HydrophobicContact CD2-CG1 3.77Å; L95-V98 HydrophobicContact CD2-CG2 4.14Å; L95-V98 HydrophobicContact CG-CG1 4.12Å; L95-V98 HydrophobicContact CG-CG2 4.13Å; L95-V98 WeakPolarHBondContact O-CG2 3.42Å
99	I	98.4	Very high	90.8	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.9	169.1	-54.9	171.1	0	0	0	108.1	L28 L29 V30 V47 F65 R67	L28-I99 HydrophobicContact CB-CG2 3.91Å; L29-I99 WeakPolarHBondContact O-CA 3.39Å; V30-I99 HydrophobicContact CG2-CG1 4.45Å; V47-I99 HydrophobicContact CB-CD1 4.15Å; V47-I99 HydrophobicContact CG1-CD1 4.2Å; V47-I99 HydrophobicContact CG2-CB 3.9Å; V47-I99 HydrophobicContact CG2-CD1 4.34Å; V47-I99 HydrophobicContact CG2-CG2 3.66Å; F65-I99 WeakPolarHBondContact CB-O 3.35Å; F65-I99 PolarHBondContact N-O 3.38Å; F65-I99 PolarHBondContact O-N 3.22Å; R67-I99 HydrophobicContact CG-CD1 3.98Å; R67-I99 HydrophobicContact CG-CG1 3.9Å
100	S	98.3	Very high	88.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	158	174.7	-62.5	0	0	0	0	111.9	L29 V32 F34 F63 T64	L29-S100 PolarHBondContact N-O 3.03Å; L29-S100 PolarHBondContact O-N 2.78Å; V32-S100 VanDerWaalsContact O-CB 3.31Å; V32-S100 WeakPolarHBondContact O-CB 3.18Å; V32-S100 PolarHBondContact O-N 2.81Å; V32-S100 PolarHBondContact O-OG 2.88Å; F34-S100 PolarHBondContact N-OG 2.88Å; F63-S100 VanDerWaalsContact O-CA 3.23Å; F63-S100 WeakPolarHBondContact O-CA 3.42Å; F63-S100 WeakPolarHBondContact O-CB 3.03Å; T64-S100 PolarHBondContact OG1-OG 3.34Å
101	G	95.9	Very high	87.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	178.9	178.7	0	0	0	0	0	112.7	F62 F63	F62-G101 CarbonylContact C-O 3.59Å; F62-G101 VanDerWaalsContact CA-O 3.25Å; F62-G101 WeakPolarHBondContact CA-O 3.18Å; F62-G101 VanDerWaalsContact CB-O 3.25Å; F62-G101 WeakPolarHBondContact CB-O 3.27Å; F63-G101 WeakPolarHBondContact CD1-O 3.08Å; F63-G101 PolarHBondContact N-O 3.46Å; F63-G101 PolarHBondContact O-N 3.07Å
102	F	94.5	Very high	85.6	Confident	30 Å²	30	60 Å²	60	13%	0.132	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	155.2	-178.7	-67.4	-92.4	0	0	0	111.7	P25 F34 Q51 F62 P89	P25-F102 HydrophobicContact CB-CB 3.88Å; P25-F102 HydrophobicContact CB-CD2 4.22Å; P25-F102 HydrophobicContact CB-CG 4.12Å; P25-F102 HydrophobicContact CG-CB 3.83Å; P25-F102 HydrophobicContact CG-CG 4.43Å; F34-F102 HydrophobicContact CE2-CE2 4.2Å; F34-F102 HydrophobicContact CE2-CZ 4.22Å; F34-F102 AromaticContact CZ-CE2 3.97Å; F34-F102 HydrophobicContact CZ-CE2 3.97Å; F34-F102 HydrophobicContact CZ-CZ 4.1Å; Q51-F102 PolarHBondContact NE2-O 2.8Å; F62-F102 HydrophobicContact CB-CD1 3.82Å; F62-F102 HydrophobicContact CB-CE1 4.12Å; F62-F102 HydrophobicContact CB-CG 4.37Å; F62-F102 HydrophobicContact CD1-CE1 4.48Å; P89-F102 HydrophobicContact CG-CZ 4.28Å
103	S	92.1	Very high	84.1	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.07	32%	0.318	C	S	.	.			trans	-65.6	148.5	169.9	86	0	0	0	0	110.6	L61	L61-S103 WeakPolarHBondContact O-CB 3.3Å; L61-S103 PolarHBondContact O-N 2.93Å
104	L	88.8	Confident	82.7	Confident	29 Å²	29	59.5 Å²	59.5	15%	0.152	33%	0.329	C	S	.	.			trans	-96.3	15.1	180	-56.2	-175.6	0	0	0	113.3	N26 Q51 T55 T106 C107 P109	N26-L104 WeakPolarHBondContact OD1-CD2 3.49Å; Q51-L104 HydrophobicContact CG-CD1 4.19Å; Q51-L104 HydrophobicContact CG-CG 3.96Å; T55-L104 HydrophobicContact CG2-CB 4.05Å; T55-L104 PolarHBondContact OG1-N 3.46Å; L104-T106 PolarHBondContact O-N 2.77Å; L104-T106 VanDerWaalsContact O-N 3.14Å; L104-C107 HydrophobicContact CB-CB 4.35Å; L104-C107 VanDerWaalsContact O-CB 3.31Å; L104-C107 WeakPolarHBondContact O-CB 3.5Å; L104-C107 PolarHBondContact O-N 2.85Å; L104-P109 HydrophobicContact CB-CG 4.18Å; L104-P109 WeakPolarHBondContact O-CD 3.47Å
105	K	84.9	Confident	81.6	Confident	19 Å²	19	54.7 Å²	54.7	8%	0.083	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-55.1	-36.5	-176	-69.4	-174.4	179.1	67.9	0	113	C54 T55 H57 C60 C107 N322	C54-K105 PolarHBondContact O-NZ 2.79Å; T55-K105 HydrophobicContact CG2-CG 4.31Å; T55-K105 WeakPolarHBondContact O-CE 3.18Å; T55-K105 WeakPolarHBondContact O-CG 3.38Å; T55-K105 PolarHBondContact O-NZ 3.18Å; T55-K105 VanDerWaalsContact O-NZ 3.14Å; H57-K105 WeakPolarHBondContact O-CE 3.35Å; H57-K105 PolarHBondContact O-NZ 2.87Å; C60-K105 PolarHBondContact O-NZ 2.76Å; K105-C107 VanDerWaalsContact C-N 3.27Å; K105-C107 PolarHBondContact O-N 3.38Å; K105-N322 PolarHBondContact O-ND2 3.01Å
106	T	82.4	Confident	80.6	Confident	89 Å²	89	55.9 Å²	55.9	55%	0.546	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-80.6	-5.5	-179.1	55.5	0	0	0	0	113.8	L104	L104-T106 PolarHBondContact O-N 2.77Å; L104-T106 VanDerWaalsContact O-N 3.14Å
107	C	79	Confident	79.8	Confident	34 Å²	34	54.2 Å²	54.2	23%	0.23	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-93.7	-1.2	-172.2	-56.2	0	0	0	0	114.1	C24 L104 K105 P109	C24-C107 WeakPolarHBondContact CA-SG 3.18Å; C24-C107 HydrophobicContact CB-CB 3.83Å; C24-C107 WeakPolarHBondContact CB-SG 3.32Å; C24-C107 WeakPolarHBondContact SG-CB 3.27Å; C24-C107 CovalentContact SG-SG 2.02Å; C24-C107 PolarHBondContact SG-SG 2.76Å; L104-C107 HydrophobicContact CB-CB 4.35Å; L104-C107 VanDerWaalsContact O-CB 3.31Å; L104-C107 WeakPolarHBondContact O-CB 3.5Å; L104-C107 PolarHBondContact O-N 2.85Å; K105-C107 VanDerWaalsContact C-N 3.27Å; K105-C107 PolarHBondContact O-N 3.38Å; C107-P109 VanDerWaalsContact C-CD 3.5Å; C107-P109 VanDerWaalsContact C-N 3.34Å
108	N	65	Low	79.5	Confident	106 Å²	106	56.7 Å²	56.7	57%	0.567	31%	0.311	S	S	*	.			trans	44.4	52.6	-171.3	-163.2	21.9	0	0	0	113	E110 P321	N108-E110 PolarHBondContact O-N 2.86Å; N108-P321 VanDerWaalsContact OD1-CB 3.26Å; N108-P321 WeakPolarHBondContact OD1-CB 3.11Å; N108-P321 WeakPolarHBondContact OD1-CG 3.21Å
109	P	59.4	Low	79.2	Confident	55 Å²	55	57.3 Å²	57.3	36%	0.357	31%	0.314	S	S	.	.			trans	-76.6	96.5	-173.3	31.7	-32.7	0	0	0	110.3	L104 C107	L104-P109 HydrophobicContact CB-CG 4.18Å; L104-P109 WeakPolarHBondContact O-CD 3.47Å; C107-P109 VanDerWaalsContact C-CD 3.5Å; C107-P109 VanDerWaalsContact C-N 3.34Å
110	E	56.8	Low	78.9	Confident	119 Å²	119	62.6 Å²	62.6	56%	0.556	34%	0.338	S	S	*	.			trans	-100.9	137.4	153.4	-77.9	-61.9	139.6	0	0	109.2	N108	N108-E110 PolarHBondContact O-N 2.86Å
111	P	59	Low	78.7	Confident	92 Å²	92	66.1 Å²	66.1	60%	0.597	36%	0.357	S	S	*	.	S	Bend	cis	-95.2	166.5	0.6	3.1	18	0	0	0	113.9
112	R	62.3	Low	78.5	Confident	176 Å²	176	66.7 Å²	66.7	66%	0.664	36%	0.361	S	S	*	.			trans	-42.2	127.9	168.5	-63.1	-179.8	-174.1	-178.5	3.6	110.3	C114 D370	R112-C114 PolarHBondContact O-N 2.91Å; R112-D370 IonicContact NH2-OD2 3.42Å
113	P	63.2	Low	78.5	Confident	69 Å²	69	65.6 Å²	65.6	45%	0.448	36%	0.356	S	S	.	.			trans	-61.7	126.6	-176.9	21	-29.7	0	0	0	110.7	Q52 F115	Q52-P113 HydrophobicContact CB-CG 4.27Å; Q52-P113 HydrophobicContact CG-CG 3.81Å; P113-F115 HydrophobicContact CB-CE2 4.24Å; P113-F115 HydrophobicContact CB-CZ 4.03Å; P113-F115 HydrophobicContact CG-CE2 4.05Å; P113-F115 HydrophobicContact CG-CZ 3.87Å; P113-F115 WeakPolarHBondContact O-CE2 3.28Å
114	C	67.9	Low	78.5	Confident	85 Å²	85	65.1 Å²	65.1	57%	0.574	35%	0.353	S	S	*	.			trans	-83.8	115.3	170.8	-177.6	0	0	0	0	108.8	R112 S116	R112-C114 PolarHBondContact O-N 2.91Å; C114-S116 PolarHBondContact O-N 2.77Å
115	F	74.9	Confident	78.5	Confident	25 Å²	25	68.3 Å²	68.3	11%	0.11	37%	0.366	C	S	.	.			trans	-86.8	87.4	175.3	-59.8	-81.2	0	0	0	110	E48 H49 Q52 P113 Q117 F193	E48-F115 HydrophobicContact CB-CE1 4.1Å; H49-F115 HydrophobicContact CB-CD1 4.32Å; H49-F115 HydrophobicContact CB-CE1 3.81Å; H49-F115 HydrophobicContact CB-CZ 4.14Å; Q52-F115 HydrophobicContact CB-CZ 3.98Å; Q52-F115 HydrophobicContact CG-CZ 4.34Å; P113-F115 HydrophobicContact CB-CE2 4.24Å; P113-F115 HydrophobicContact CB-CZ 4.03Å; P113-F115 HydrophobicContact CG-CE2 4.05Å; P113-F115 HydrophobicContact CG-CZ 3.87Å; P113-F115 WeakPolarHBondContact O-CE2 3.28Å; F115-Q117 PolarHBondContact O-N 2.81Å; F115-F193 HydrophobicContact CB-CB 4.22Å; F115-F193 HydrophobicContact CB-CD2 3.44Å; F115-F193 VanDerWaalsContact CB-CD2 3.44Å; F115-F193 HydrophobicContact CB-CE2 4.05Å; F115-F193 HydrophobicContact CB-CG 4.03Å; F115-F193 HydrophobicContact CG-CD2 4.13Å; F115-F193 HydrophobicContact CG-CE2 4.31Å
116	S	76.9	Confident	78.7	Confident	81 Å²	81	68.3 Å²	68.3	57%	0.566	37%	0.371	S	S	*	.			trans	-76.1	-12.5	174.3	57.1	0	0	0	0	113.3	C114	C114-S116 PolarHBondContact O-N 2.77Å
117	Q	82.3	Confident	78.9	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	36%	0.358	S	S	.	.			trans	-64.8	137.7	-177.9	-172.9	176	12.4	0	0	112.2	F115 F119	F115-Q117 PolarHBondContact O-N 2.81Å; Q117-F119 HydrophobicContact CB-CE2 4.33Å; Q117-F119 HydrophobicContact CB-CZ 4.07Å; Q117-F119 VanDerWaalsContact CD-CE1 3.5Å; Q117-F119 HydrophobicContact CG-CD1 4.48Å; Q117-F119 HydrophobicContact CG-CE1 3.98Å; Q117-F119 HydrophobicContact CG-CE2 4.32Å; Q117-F119 HydrophobicContact CG-CZ 3.9Å; Q117-F119 WeakPolarHBondContact O-CE2 3.25Å
118	V	88.9	Confident	79.5	Confident	55 Å²	55	66.8 Å²	66.8	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.7	166.8	-66.1	0	0	0	0	110.2	T190 S191	V118-T190 HydrophobicContact CB-CG2 4.15Å; V118-S191 CarbonylContact C-O 3.55Å; V118-S191 WeakPolarHBondContact CA-O 3.48Å
119	F	92	Very high	80.8	Confident	13 Å²	13	63.5 Å²	63.5	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	99.9	-173.1	-58.3	-86.3	0	0	0	109.3	P45 Q117 V122 F124 T190 S191 F193	P45-F119 HydrophobicContact CB-CD1 3.79Å; P45-F119 HydrophobicContact CB-CD2 4.1Å; P45-F119 HydrophobicContact CB-CE1 3.62Å; P45-F119 HydrophobicContact CB-CE2 3.94Å; P45-F119 HydrophobicContact CB-CG 4.03Å; P45-F119 HydrophobicContact CB-CZ 3.69Å; P45-F119 HydrophobicContact CG-CD2 4.43Å; P45-F119 HydrophobicContact CG-CE1 4.12Å; P45-F119 HydrophobicContact CG-CE2 3.86Å; P45-F119 HydrophobicContact CG-CZ 3.68Å; P45-F119 VanDerWaalsContact O-CE1 3.31Å; P45-F119 WeakPolarHBondContact O-CE1 3.49Å; Q117-F119 HydrophobicContact CB-CE2 4.33Å; Q117-F119 HydrophobicContact CB-CZ 4.07Å; Q117-F119 VanDerWaalsContact CD-CE1 3.5Å; Q117-F119 HydrophobicContact CG-CD1 4.48Å; Q117-F119 HydrophobicContact CG-CE1 3.98Å; Q117-F119 HydrophobicContact CG-CE2 4.32Å; Q117-F119 HydrophobicContact CG-CZ 3.9Å; Q117-F119 WeakPolarHBondContact O-CE2 3.25Å; F119-V122 HydrophobicContact CB-CB 3.79Å; F119-V122 HydrophobicContact CB-CG1 4.14Å; F119-V122 HydrophobicContact CB-CG2 4.17Å; F119-F124 HydrophobicContact CB-CE1 4.43Å; F119-F124 HydrophobicContact CD2-CE1 4.05Å; F119-F124 HydrophobicContact CD2-CE2 4.37Å; F119-F124 AromaticContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CD2-CZ 3.42Å; F119-F124 VanDerWaalsContact CD2-CZ 3.42Å; F119-F124 AromaticContact CE2-CZ 3.83Å; F119-F124 HydrophobicContact CE2-CZ 3.83Å; F119-F124 HydrophobicContact CG-CE1 4.31Å; F119-F124 HydrophobicContact CG-CZ 4.12Å; F119-T190 WeakPolarHBondContact O-CA 3.17Å; F119-S191 PolarHBondContact N-O 3.35Å; F119-S191 PolarHBondContact O-N 2.97Å; F119-F193 HydrophobicContact CE2-CD2 4.09Å; F119-F193 AromaticContact CE2-CE2 3.72Å; F119-F193 HydrophobicContact CE2-CE2 3.72Å; F119-F193 HydrophobicContact CZ-CE2 4.28Å
120	Q	93.1	Very high	82.4	Confident	132 Å²	132	67.2 Å²	67.2	62%	0.617	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.1	179.5	-61.7	-172.1	9.9	0	0	111.4	V122 T190	Q120-V122 PolarHBondContact O-N 2.64Å; Q120-T190 HydrophobicContact CG-CG2 4.49Å
121	N	93.3	Very high	84.3	Confident	74 Å²	74	65.4 Å²	65.4	40%	0.396	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	34.3	-177.1	-54.2	-42.2	0	0	0	112.7	K185 K186 G188 V189	N121-K185 WeakPolarHBondContact O-CA 3.17Å; N121-K186 CarbonylContact C-O 3.13Å; N121-K186 WeakPolarHBondContact CA-O 3.35Å; N121-K186 PolarHBondContact O-N 3.18Å; N121-G188 PolarHBondContact OD1-N 2.89Å; N121-V189 WeakPolarHBondContact CA-O 3.48Å; N121-V189 PolarHBondContact N-O 3.13Å
122	V	92.4	Very high	86.1	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.3	179.5	176.5	0	0	0	0	107.6	F77 F119 Q120 F124 V183 E184 V189 S191	F77-V122 HydrophobicContact CE1-CG1 4.42Å; F77-V122 HydrophobicContact CE1-CG2 4.26Å; F77-V122 HydrophobicContact CZ-CG1 4.24Å; F77-V122 HydrophobicContact CZ-CG2 3.82Å; F119-V122 HydrophobicContact CB-CB 3.79Å; F119-V122 HydrophobicContact CB-CG1 4.14Å; F119-V122 HydrophobicContact CB-CG2 4.17Å; Q120-V122 PolarHBondContact O-N 2.64Å; V122-F124 HydrophobicContact CG1-CD1 4.16Å; V122-F124 HydrophobicContact CG1-CE1 3.96Å; V122-V183 HydrophobicContact CG1-CG1 3.41Å; V122-V183 VanDerWaalsContact CG1-CG1 3.41Å; V122-E184 CarbonylContact C-O 3.58Å; V122-E184 VanDerWaalsContact CA-O 3.3Å; V122-E184 WeakPolarHBondContact CA-O 3.39Å; V122-V189 PolarHBondContact N-O 3.36Å; V122-S191 WeakPolarHBondContact O-CB 3.3Å; V122-S191 PolarHBondContact O-N 3.14Å; V122-S191 PolarHBondContact O-OG 3.31Å
123	D	93.4	Very high	87.7	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.032	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.1	174.6	-172.4	5.7	0	0	0	109.6	F125 V183 E184 K186 V189	D123-F125 VanDerWaalsContact C-N 3.27Å; D123-F125 PolarHBondContact O-N 2.83Å; D123-V183 WeakPolarHBondContact O-CA 3.14Å; D123-E184 HydrophobicContact CB-CG 3.95Å; D123-E184 PolarHBondContact N-O 2.87Å; D123-E184 PolarHBondContact O-N 2.7Å; D123-K186 HydrophobicContact CB-CB 3.84Å; D123-K186 HydrophobicContact CB-CD 3.56Å; D123-K186 HydrophobicContact CB-CG 4.39Å; D123-K186 VanDerWaalsContact OD2-CD 3.26Å; D123-K186 WeakPolarHBondContact OD2-CD 3.37Å; D123-K186 IonicContact OD2-NZ 2.79Å; D123-K186 PolarHBondContact OD2-NZ 3.29Å; D123-V189 HydrophobicContact CB-CB 4.41Å; D123-V189 HydrophobicContact CB-CG1 3.97Å
124	F	92.4	Very high	89.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	76.7	166.1	-63.7	-5.7	0	0	0	108.1	P45 F119 V122 F152 K172 T180 I182 V183 S191 F193	P45-F124 HydrophobicContact CB-CE1 3.53Å; P45-F124 HydrophobicContact CB-CZ 3.69Å; P45-F124 HydrophobicContact CG-CE1 4Å; P45-F124 HydrophobicContact CG-CZ 3.7Å; F119-F124 HydrophobicContact CB-CE1 4.43Å; F119-F124 HydrophobicContact CD2-CE1 4.05Å; F119-F124 HydrophobicContact CD2-CE2 4.37Å; F119-F124 AromaticContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CD2-CZ 3.42Å; F119-F124 VanDerWaalsContact CD2-CZ 3.42Å; F119-F124 AromaticContact CE2-CZ 3.83Å; F119-F124 HydrophobicContact CE2-CZ 3.83Å; F119-F124 HydrophobicContact CG-CE1 4.31Å; F119-F124 HydrophobicContact CG-CZ 4.12Å; V122-F124 HydrophobicContact CG1-CD1 4.16Å; V122-F124 HydrophobicContact CG1-CE1 3.96Å; F124-F152 HydrophobicContact CB-CD2 3.93Å; F124-F152 HydrophobicContact CB-CE2 4.25Å; F124-F152 HydrophobicContact CD2-CB 3.91Å; F124-F152 AromaticContact CD2-CD2 3.82Å; F124-F152 HydrophobicContact CD2-CD2 3.82Å; F124-F152 HydrophobicContact CD2-CG 4.14Å; F124-F152 HydrophobicContact CE2-CB 4.26Å; F124-F152 HydrophobicContact CG-CD2 4.37Å; F124-K172 HydrophobicContact CB-CD 4.36Å; F124-K172 WeakPolarHBondContact O-CD 3.35Å; F124-K172 WeakPolarHBondContact O-CE 3.5Å; F124-K172 PolarHBondContact O-NZ 3.49Å; F124-T180 HydrophobicContact CB-CG2 3.82Å; F124-T180 HydrophobicContact CD1-CG2 3.77Å; F124-T180 HydrophobicContact CD2-CG2 3.24Å; F124-T180 HydrophobicContact CE1-CG2 4.11Å; F124-T180 HydrophobicContact CE2-CG2 3.58Å; F124-T180 HydrophobicContact CG-CG2 3.32Å; F124-T180 HydrophobicContact CZ-CG2 4Å; F124-I182 CarbonylContact C-O 3.45Å; F124-I182 WeakPolarHBondContact CA-O 3.23Å; F124-V183 HydrophobicContact CD1-CG1 4.25Å; F124-V183 HydrophobicContact CD1-CG2 4.05Å; F124-V183 HydrophobicContact CE1-CG1 4.24Å; F124-V183 HydrophobicContact CE1-CG2 4.31Å; F124-S191 VanDerWaalsContact CG-CB 3.49Å; F124-S191 PolarHBondContact N-OG 2.81Å; F124-S191 VanDerWaalsContact N-OG 3.12Å; F124-F193 HydrophobicContact CE2-CE1 4.12Å; F124-F193 HydrophobicContact CE2-CE2 4.16Å; F124-F193 AromaticContact CE2-CZ 3.96Å; F124-F193 HydrophobicContact CE2-CZ 3.96Å; F124-F193 HydrophobicContact CZ-CE2 4.17Å; F124-F193 HydrophobicContact CZ-CZ 4.15Å
125	F	88.7	Confident	90.6	Very high	96 Å²	96	58.8 Å²	58.8	42%	0.421	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.1	-167.4	-178.7	-92.7	0	0	0	112.8	D123 I182 E184	D123-F125 VanDerWaalsContact C-N 3.27Å; D123-F125 PolarHBondContact O-N 2.83Å; F125-I182 HydrophobicContact CB-CB 4.17Å; F125-I182 HydrophobicContact CB-CG2 4.39Å; F125-I182 HydrophobicContact CD1-CD1 4.14Å; F125-I182 PolarHBondContact N-O 2.85Å; F125-E184 HydrophobicContact CB-CG 4.39Å
126	G	88.6	Confident	91.6	Very high	19 Å²	19	60.6 Å²	60.6	20%	0.196	32%	0.319	C	S	.	.	S	Bend	trans	80.7	-166.6	-178.6	0	0	0	0	0	114	D128 K172	G126-D128 PolarHBondContact O-N 3.32Å; G126-D128 VanDerWaalsContact O-N 3.08Å; G126-K172 PolarHBondContact O-NZ 3.16Å
127	A	86.8	Confident	92.4	Very high	34 Å²	34	58.2 Å²	58.2	28%	0.281	30%	0.299	S	S	.	.			trans	59.6	14.2	179.8	0	0	0	0	0	115.8	Y129 F152 K172 F173 P181	A127-Y129 PolarHBondContact O-N 3.26Å; A127-F152 HydrophobicContact CB-CE2 4.12Å; A127-F152 HydrophobicContact CB-CZ 3.87Å; A127-K172 HydrophobicContact CB-CB 4.18Å; A127-K172 WeakPolarHBondContact O-CA 3.02Å; A127-K172 WeakPolarHBondContact O-CB 3.31Å; A127-F173 VanDerWaalsContact CB-O 3.27Å; A127-F173 WeakPolarHBondContact CB-O 3.17Å; A127-F173 PolarHBondContact O-N 2.89Å; A127-F173 VanDerWaalsContact O-N 3.1Å; A127-P181 HydrophobicContact CB-CG 3.68Å
128	D	91.7	Very high	93	Very high	57 Å²	57	59.6 Å²	59.6	31%	0.305	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.9	-179.6	-56.9	-57.3	0	0	0	111.5	G126 Y170 K172 K242	G126-D128 PolarHBondContact O-N 3.32Å; G126-D128 VanDerWaalsContact O-N 3.08Å; D128-Y170 HydrophobicContact CB-CD1 4.48Å; D128-Y170 WeakPolarHBondContact OD1-CB 3.24Å; D128-K172 WeakPolarHBondContact OD1-CE 3.49Å; D128-K172 VanDerWaalsContact OD1-CG 3.23Å; D128-K172 WeakPolarHBondContact OD1-CG 3.35Å; D128-K172 IonicContact OD1-NZ 3.04Å; D128-K172 PolarHBondContact OD1-NZ 3Å; D128-K172 IonicContact OD2-NZ 3.99Å; D128-K242 PolarHBondContact O-NZ 3.07Å
129	Y	92.3	Very high	93.3	Very high	38 Å²	38	59.6 Å²	59.6	15%	0.149	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-24.6	173.1	76.6	-93.7	0	0	0	115.2	A127 D147 C150 L171 F173 P241	A127-Y129 PolarHBondContact O-N 3.26Å; Y129-D147 PolarHBondContact OH-OD1 2.98Å; Y129-D147 PolarHBondContact OH-OD2 2.94Å; Y129-C150 HydrophobicContact CE1-CB 4.34Å; Y129-C150 VanDerWaalsContact OH-CA 3.31Å; Y129-C150 WeakPolarHBondContact OH-CA 3.36Å; Y129-C150 VanDerWaalsContact OH-CB 3.25Å; Y129-C150 WeakPolarHBondContact OH-CB 3.25Å; Y129-C150 PolarHBondContact OH-N 3.2Å; Y129-L171 HydrophobicContact CD1-CB 4.49Å; Y129-L171 VanDerWaalsContact CD1-O 3.27Å; Y129-L171 WeakPolarHBondContact CD1-O 3.16Å; Y129-L171 HydrophobicContact CE1-CB 3.78Å; Y129-L171 HydrophobicContact CE2-CB 4.33Å; Y129-L171 PolarHBondContact N-O 2.94Å; Y129-F173 HydrophobicContact CD1-CB 3.8Å; Y129-F173 HydrophobicContact CE1-CB 4.07Å; Y129-P241 HydrophobicContact CD1-CB 4.21Å; Y129-P241 HydrophobicContact CD1-CG 3.56Å; Y129-P241 HydrophobicContact CD2-CB 3.43Å; Y129-P241 VanDerWaalsContact CD2-CB 3.43Å; Y129-P241 HydrophobicContact CD2-CG 3.67Å; Y129-P241 HydrophobicContact CE1-CB 4.26Å; Y129-P241 HydrophobicContact CE1-CG 3.86Å; Y129-P241 HydrophobicContact CE2-CB 3.52Å; Y129-P241 HydrophobicContact CE2-CG 3.99Å; Y129-P241 HydrophobicContact CG-CB 3.8Å; Y129-P241 HydrophobicContact CG-CG 3.45Å; Y129-P241 VanDerWaalsContact CG-CG 3.45Å
130	R	94.3	Very high	93.6	Very high	132 Å²	132	59 Å²	59	50%	0.498	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.7	178.2	-175.7	175.7	-177.9	-179.5	3.4	109.6	D147 L171	R130-D147 IonicContact NH1-OD2 2.74Å; R130-D147 PolarHBondContact NH1-OD2 2.86Å; R130-L171 HydrophobicContact CB-CB 4.24Å; R130-L171 HydrophobicContact CB-CD1 4.42Å; R130-L171 HydrophobicContact CB-CG 4.48Å; R130-L171 PolarHBondContact N-O 3.5Å; R130-L171 PolarHBondContact O-N 3.49Å
131	T	95.6	Very high	93.6	Very high	82 Å²	82	53.9 Å²	53.9	50%	0.503	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.8	174.8	64.5	0	0	0	0	109.7	C169 Y170	T131-C169 WeakPolarHBondContact CA-O 3.46Å; T131-Y170 HydrophobicContact CG2-CD1 3.33Å; T131-Y170 HydrophobicContact CG2-CE1 3.58Å; T131-Y170 HydrophobicContact CG2-CG 4.15Å
132	L	96.6	Very high	93.6	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.236	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	171.6	177.2	65.4	154.4	0	0	0	109.5	T134 V143 K168 C169 L171	L132-T134 HydrophobicContact CD1-CG2 3.88Å; L132-T134 HydrophobicContact CG-CG2 4.25Å; L132-V143 HydrophobicContact CD1-CB 4.48Å; L132-V143 HydrophobicContact CD1-CG1 3.85Å; L132-V143 HydrophobicContact CD1-CG2 4.27Å; L132-V143 HydrophobicContact CD2-CG1 4.26Å; L132-K168 WeakPolarHBondContact O-CA 3.25Å; L132-C169 HydrophobicContact CD2-CB 4.17Å; L132-C169 HydrophobicContact CG-CB 4.18Å; L132-C169 PolarHBondContact N-O 2.86Å; L132-C169 PolarHBondContact O-N 2.87Å; L132-L171 HydrophobicContact CD2-CD1 4.24Å; L132-L171 HydrophobicContact CD2-CD2 4.25Å; L132-L171 HydrophobicContact CD2-CG 3.94Å
133	F	96.8	Very high	93.7	Very high	138 Å²	138	55.9 Å²	55.9	61%	0.605	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.5	170.5	-67.9	-84.3	0	0	0	109.9	R166 F167 K168	F133-R166 WeakPolarHBondContact CE1-O 3.49Å; F133-F167 VanDerWaalsContact CA-O 3.32Å; F133-F167 WeakPolarHBondContact CA-O 3.29Å; F133-F167 HydrophobicContact CD1-CB 4.26Å; F133-K168 HydrophobicContact CD1-CG 3.81Å; F133-K168 HydrophobicContact CE1-CD 4.24Å; F133-K168 HydrophobicContact CE1-CG 3.35Å; F133-K168 HydrophobicContact CZ-CD 4.32Å; F133-K168 VanDerWaalsContact CZ-CE 3.5Å; F133-K168 HydrophobicContact CZ-CG 3.85Å
134	T	96.6	Very high	93.7	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.037	28%	0.278	C	S	.	.			trans	-130.5	145.2	172.6	60.1	0	0	0	0	109.6	L132 D136 E139 C140 V143 F155 F167 C169	L132-T134 HydrophobicContact CD1-CG2 3.88Å; L132-T134 HydrophobicContact CG-CG2 4.25Å; T134-D136 PolarHBondContact O-N 3.36Å; T134-D136 PolarHBondContact OG1-O 3Å; T134-E139 HydrophobicContact CG2-CG 4.01Å; T134-C140 HydrophobicContact CG2-CB 4.38Å; T134-C140 WeakPolarHBondContact OG1-CB 3.45Å; T134-V143 HydrophobicContact CG2-CG2 4.49Å; T134-F155 WeakPolarHBondContact OG1-CE2 3.44Å; T134-F167 PolarHBondContact N-O 3.43Å; T134-F167 WeakPolarHBondContact O-CB 3.35Å; T134-C169 HydrophobicContact CG2-CB 3.84Å
135	P	95.4	Very high	93.5	Very high	94 Å²	94	57.4 Å²	57.4	61%	0.61	29%	0.289	S	S	*	.	S	Bend	trans	-60.7	-30.9	179.9	25	-35.9	0	0	0	113	E139 F167	P135-E139 HydrophobicContact CG-CB 4.07Å; P135-E139 HydrophobicContact CG-CG 4.08Å; P135-F167 WeakPolarHBondContact O-CD1 3.45Å; P135-F167 WeakPolarHBondContact O-CE1 3.09Å
136	D	95.1	Very high	93.5	Very high	62 Å²	62	59 Å²	59	33%	0.332	30%	0.297	S	S	.	.	S	Bend	trans	-154.4	-178.2	-177.2	58	45.9	0	0	0	112.6	T134 Q138 E139 C140	T134-D136 PolarHBondContact O-N 3.36Å; T134-D136 PolarHBondContact OG1-O 3Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.46Å; D136-Q138 PolarHBondContact OD1-N 3.27Å; D136-Q138 VanDerWaalsContact OD1-N 3.08Å; D136-Q138 PolarHBondContact OD1-OE1 3.3Å; D136-E139 WeakPolarHBondContact OD1-CB 3.2Å; D136-E139 PolarHBondContact OD1-N 2.95Å; D136-C140 PolarHBondContact O-N 3.08Å
137	I	94.7	Very high	93.6	Very high	31 Å²	31	59.2 Å²	59.2	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-70	-35.2	179.9	-172.5	71.6	0	0	0	112.1	C140 Q141 F153 F155 T190	I137-C140 PolarHBondContact O-N 2.69Å; I137-Q141 WeakPolarHBondContact O-CB 3.5Å; I137-Q141 PolarHBondContact O-N 2.84Å; I137-F153 HydrophobicContact CD1-CD2 4.41Å; I137-F153 HydrophobicContact CD1-CE2 3.53Å; I137-F153 HydrophobicContact CD1-CZ 4.33Å; I137-F153 HydrophobicContact CG1-CE2 4.29Å; I137-F155 HydrophobicContact CB-CD1 4.11Å; I137-F155 HydrophobicContact CB-CE1 4.49Å; I137-F155 HydrophobicContact CD1-CB 3.38Å; I137-F155 HydrophobicContact CD1-CD1 3.88Å; I137-F155 HydrophobicContact CD1-CG 3.87Å; I137-T190 HydrophobicContact CD1-CG2 3.53Å; I137-T190 HydrophobicContact CG1-CG2 3.95Å
138	Q	94.6	Very high	93.3	Very high	124 Å²	124	62.6 Å²	62.6	58%	0.579	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-43.7	-179.2	-67.3	79.6	4.6	0	0	109.9	D136 Q141 R142	D136-Q138 WeakPolarHBondContact OD1-CB 3.46Å; D136-Q138 PolarHBondContact OD1-N 3.27Å; D136-Q138 VanDerWaalsContact OD1-N 3.08Å; D136-Q138 PolarHBondContact OD1-OE1 3.3Å; Q138-Q141 PolarHBondContact O-N 2.67Å; Q138-R142 WeakPolarHBondContact O-CB 3.49Å; Q138-R142 PolarHBondContact O-N 2.95Å
139	E	95.8	Very high	93	Very high	56 Å²	56	60.1 Å²	60.1	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-38.8	176.3	-176.6	60.6	-173	0	0	111.7	T134 P135 D136 R142 V143	T134-E139 HydrophobicContact CG2-CG 4.01Å; P135-E139 HydrophobicContact CG-CB 4.07Å; P135-E139 HydrophobicContact CG-CG 4.08Å; D136-E139 WeakPolarHBondContact OD1-CB 3.2Å; D136-E139 PolarHBondContact OD1-N 2.95Å; E139-R142 VanDerWaalsContact CD-NH2 3.34Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-R142 IonicContact OE1-CZ 3.12Å; E139-R142 IonicContact OE1-NE 2.73Å; E139-R142 IonicContact OE1-NH2 2.69Å; E139-R142 PolarHBondContact OE1-NH2 3.2Å; E139-R142 IonicContact OE2-CZ 2.65Å; E139-R142 IonicContact OE2-NE 2.81Å; E139-R142 PolarHBondContact OE2-NE 2.8Å; E139-R142 IonicContact OE2-NH2 2.78Å; E139-R142 PolarHBondContact OE2-NH2 3.43Å; E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.43Å
140	C	96.5	Very high	92.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-44.9	172.3	-175.5	0	0	0	0	112.1	T134 D136 I137 V143 C144 F153 F155 C169	T134-C140 HydrophobicContact CG2-CB 4.38Å; T134-C140 WeakPolarHBondContact OG1-CB 3.45Å; D136-C140 PolarHBondContact O-N 3.08Å; I137-C140 PolarHBondContact O-N 2.69Å; C140-V143 PolarHBondContact O-N 2.84Å; C140-C144 WeakPolarHBondContact O-CB 3.34Å; C140-C144 PolarHBondContact O-N 3.39Å; C140-F153 HydrophobicContact CB-CD2 4.42Å; C140-F153 WeakPolarHBondContact SG-CD2 3.35Å; C140-F155 HydrophobicContact CB-CB 4.29Å; C140-F155 HydrophobicContact CB-CD2 3.97Å; C140-F155 HydrophobicContact CB-CG 4.4Å; C140-C169 WeakPolarHBondContact CA-SG 3.41Å; C140-C169 HydrophobicContact CB-CB 3.74Å; C140-C169 WeakPolarHBondContact CB-SG 3.49Å; C140-C169 WeakPolarHBondContact SG-CB 3.47Å; C140-C169 CovalentContact SG-SG 2.04Å; C140-C169 PolarHBondContact SG-SG 3.05Å
141	Q	94.4	Very high	92.5	Very high	25 Å²	25	54 Å²	54	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-40.1	175.8	-176.9	161.7	45.7	0	0	111.7	I137 Q138 C144 T145 F153 F193 Q195	I137-Q141 WeakPolarHBondContact O-CB 3.5Å; I137-Q141 PolarHBondContact O-N 2.84Å; Q138-Q141 PolarHBondContact O-N 2.67Å; Q141-C144 PolarHBondContact O-N 3.41Å; Q141-T145 VanDerWaalsContact O-CB 3.27Å; Q141-T145 WeakPolarHBondContact O-CB 3.23Å; Q141-T145 PolarHBondContact O-N 2.94Å; Q141-T145 PolarHBondContact O-OG1 3.49Å; Q141-F153 HydrophobicContact CB-CD1 4.46Å; Q141-F153 HydrophobicContact CB-CE1 3.59Å; Q141-F153 HydrophobicContact CB-CE2 4.46Å; Q141-F153 HydrophobicContact CB-CZ 3.59Å; Q141-F153 HydrophobicContact CG-CE1 3.62Å; Q141-F153 HydrophobicContact CG-CZ 3.97Å; Q141-F193 PolarHBondContact NE2-O 2.86Å; Q141-F193 VanDerWaalsContact NE2-O 3.07Å; Q141-Q195 VanDerWaalsContact CD-NE2 3.35Å; Q141-Q195 HydrophobicContact CG-CG 4.45Å; Q141-Q195 VanDerWaalsContact NE2-NE2 3.13Å
142	R	92.8	Very high	92.2	Very high	103 Å²	103	50.1 Å²	50.1	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-46.9	177.3	-168.9	-170.7	68.8	73.5	-0.2	111.4	Q138 E139 T145 Q146	Q138-R142 WeakPolarHBondContact O-CB 3.49Å; Q138-R142 PolarHBondContact O-N 2.95Å; E139-R142 VanDerWaalsContact CD-NH2 3.34Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-R142 IonicContact OE1-CZ 3.12Å; E139-R142 IonicContact OE1-NE 2.73Å; E139-R142 IonicContact OE1-NH2 2.69Å; E139-R142 PolarHBondContact OE1-NH2 3.2Å; E139-R142 IonicContact OE2-CZ 2.65Å; E139-R142 IonicContact OE2-NE 2.81Å; E139-R142 PolarHBondContact OE2-NE 2.8Å; E139-R142 IonicContact OE2-NH2 2.78Å; E139-R142 PolarHBondContact OE2-NH2 3.43Å; R142-T145 PolarHBondContact O-N 3.29Å; R142-Q146 WeakPolarHBondContact O-CG 3.03Å; R142-Q146 PolarHBondContact O-N 2.04Å
143	V	94.8	Very high	92.1	Very high	25 Å²	25	48 Å²	48	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-45.9	176.5	171.8	0	0	0	0	110.6	L132 T134 E139 C140 T145 Q146 D147 L171	L132-V143 HydrophobicContact CD1-CB 4.48Å; L132-V143 HydrophobicContact CD1-CG1 3.85Å; L132-V143 HydrophobicContact CD1-CG2 4.27Å; L132-V143 HydrophobicContact CD2-CG1 4.26Å; T134-V143 HydrophobicContact CG2-CG2 4.49Å; E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.43Å; C140-V143 PolarHBondContact O-N 2.84Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.49Å; V143-Q146 PolarHBondContact O-N 3.38Å; V143-D147 WeakPolarHBondContact O-CB 3.41Å; V143-D147 PolarHBondContact O-N 3.05Å; V143-L171 HydrophobicContact CG1-CD1 4.04Å; V143-L171 HydrophobicContact CG1-CD2 4.39Å
144	C	92.6	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-43.5	174.2	-177.1	0	0	0	0	111.7	C140 Q141 Q146 D147 C150 F153 L171	C140-C144 WeakPolarHBondContact O-CB 3.34Å; C140-C144 PolarHBondContact O-N 3.39Å; Q141-C144 PolarHBondContact O-N 3.41Å; C144-Q146 VanDerWaalsContact C-N 3.28Å; C144-Q146 PolarHBondContact O-N 2.95Å; C144-D147 PolarHBondContact O-N 3.05Å; C144-C150 VanDerWaalsContact CA-SG 3.51Å; C144-C150 HydrophobicContact CB-CB 3.92Å; C144-C150 WeakPolarHBondContact CB-SG 3.45Å; C144-C150 WeakPolarHBondContact O-CB 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.27Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 2.87Å; C144-F153 HydrophobicContact CB-CB 4.12Å; C144-F153 HydrophobicContact CB-CD1 3.87Å; C144-F153 HydrophobicContact CB-CG 4.3Å; C144-L171 HydrophobicContact CB-CD2 3.77Å
145	T	89.8	Confident	92.1	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-35.9	-179.5	-60	0	0	0	0	112.3	Q141 R142 V143 Q195	Q141-T145 VanDerWaalsContact O-CB 3.27Å; Q141-T145 WeakPolarHBondContact O-CB 3.23Å; Q141-T145 PolarHBondContact O-N 2.94Å; Q141-T145 PolarHBondContact O-OG1 3.49Å; R142-T145 PolarHBondContact O-N 3.29Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.49Å; T145-Q195 VanDerWaalsContact CG2-C 3.49Å; T145-Q195 HydrophobicContact CG2-CB 4.23Å; T145-Q195 WeakPolarHBondContact CG2-O 3.47Å; T145-Q195 PolarHBondContact OG1-N 2.85Å
146	Q	88.8	Confident	92.1	Very high	128 Å²	128	37.7 Å²	37.7	60%	0.598	19%	0.19	S	C	*	.	H	α-helix	trans	-82.9	-21.5	178.8	-69.3	-176.9	-5.2	0	0	113.9	R142 V143 C144 P148	R142-Q146 WeakPolarHBondContact O-CG 3.03Å; R142-Q146 PolarHBondContact O-N 2.04Å; V143-Q146 PolarHBondContact O-N 3.38Å; C144-Q146 VanDerWaalsContact C-N 3.28Å; C144-Q146 PolarHBondContact O-N 2.95Å; Q146-P148 WeakPolarHBondContact O-CD 3.45Å
147	D	88.7	Confident	91.9	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	18%	0.182	C	C	.	.	S	Bend	trans	-78	117.2	177.2	-168.2	-55.4	0	0	0	109.9	Y129 R130 V143 C144 G149 C150 L171 K196	Y129-D147 PolarHBondContact OH-OD1 2.98Å; Y129-D147 PolarHBondContact OH-OD2 2.94Å; R130-D147 IonicContact NH1-OD2 2.74Å; R130-D147 PolarHBondContact NH1-OD2 2.86Å; V143-D147 WeakPolarHBondContact O-CB 3.41Å; V143-D147 PolarHBondContact O-N 3.05Å; C144-D147 PolarHBondContact O-N 3.05Å; D147-G149 PolarHBondContact O-N 2.92Å; D147-G149 VanDerWaalsContact O-N 3.08Å; D147-G149 PolarHBondContact OD1-N 3.07Å; D147-C150 HydrophobicContact CB-CB 3.98Å; D147-C150 PolarHBondContact O-N 2.81Å; D147-C150 PolarHBondContact OD1-N 2.8Å; D147-L171 HydrophobicContact CB-CD1 3.98Å; D147-K196 PolarHBondContact O-NZ 3.02Å
148	P	82.2	Confident	91.5	Very high	105 Å²	105	41.3 Å²	41.3	68%	0.682	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30	-177.2	-26.4	35.6	0	0	0	113.5	Q146 K196	Q146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-K196 PolarHBondContact O-NZ 2.86Å
149	G	84.4	Confident	91.1	Very high	5 Å²	5	40.7 Å²	40.7	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.8	179.2	0	0	0	0	0	114.7	D147 F173	D147-G149 PolarHBondContact O-N 2.92Å; D147-G149 VanDerWaalsContact O-N 3.08Å; D147-G149 PolarHBondContact OD1-N 3.07Å; G149-F173 WeakPolarHBondContact O-CB 3.4Å; G149-F173 VanDerWaalsContact O-CD2 3.24Å; G149-F173 WeakPolarHBondContact O-CD2 3.1Å
150	C	89.1	Confident	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.			trans	-81	132.2	179.6	-163	0	0	0	0	111.8	Y129 C144 D147 F152 L171 K196	Y129-C150 HydrophobicContact CE1-CB 4.34Å; Y129-C150 VanDerWaalsContact OH-CA 3.31Å; Y129-C150 WeakPolarHBondContact OH-CA 3.36Å; Y129-C150 VanDerWaalsContact OH-CB 3.25Å; Y129-C150 WeakPolarHBondContact OH-CB 3.25Å; Y129-C150 PolarHBondContact OH-N 3.2Å; C144-C150 VanDerWaalsContact CA-SG 3.51Å; C144-C150 HydrophobicContact CB-CB 3.92Å; C144-C150 WeakPolarHBondContact CB-SG 3.45Å; C144-C150 WeakPolarHBondContact O-CB 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.27Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 2.87Å; D147-C150 HydrophobicContact CB-CB 3.98Å; D147-C150 PolarHBondContact O-N 2.81Å; D147-C150 PolarHBondContact OD1-N 2.8Å; C150-F152 PolarHBondContact SG-O 2.95Å; C150-L171 HydrophobicContact CB-CB 4.31Å; C150-L171 HydrophobicContact CB-CD1 4.44Å; C150-K196 WeakPolarHBondContact O-CE 3.45Å; C150-K196 PolarHBondContact O-NZ 3.46Å
151	Q	86.9	Confident	90.2	Very high	42 Å²	42	43.2 Å²	43.2	20%	0.196	23%	0.225	C	C	.	.	S	Bend	trans	-111.8	-34.6	174.1	-65.8	176.4	-15.7	0	0	111.9	K172 F173 S174 A194	Q151-K172 PolarHBondContact N-O 2.85Å; Q151-F173 HydrophobicContact CG-CD2 4.11Å; Q151-S174 PolarHBondContact NE2-O 2.91Å; Q151-S174 PolarHBondContact OE1-O 2.7Å; Q151-A194 WeakPolarHBondContact O-CB 3.21Å; Q151-A194 PolarHBondContact O-N 3.39Å
152	F	90.5	Very high	89.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.3	178.1	50.6	-86.7	0	0	0	109.7	F124 A127 C150 K172 P178 T180 G192 F193	F124-F152 HydrophobicContact CB-CD2 3.93Å; F124-F152 HydrophobicContact CB-CE2 4.25Å; F124-F152 HydrophobicContact CD2-CB 3.91Å; F124-F152 AromaticContact CD2-CD2 3.82Å; F124-F152 HydrophobicContact CD2-CD2 3.82Å; F124-F152 HydrophobicContact CD2-CG 4.14Å; F124-F152 HydrophobicContact CE2-CB 4.26Å; F124-F152 HydrophobicContact CG-CD2 4.37Å; A127-F152 HydrophobicContact CB-CE2 4.12Å; A127-F152 HydrophobicContact CB-CZ 3.87Å; C150-F152 PolarHBondContact SG-O 2.95Å; F152-K172 HydrophobicContact CD2-CB 3.45Å; F152-K172 VanDerWaalsContact CD2-CB 3.45Å; F152-K172 HydrophobicContact CD2-CD 3.59Å; F152-K172 HydrophobicContact CD2-CG 4.16Å; F152-K172 HydrophobicContact CE2-CB 3.29Å; F152-K172 HydrophobicContact CE2-CD 3.65Å; F152-K172 HydrophobicContact CE2-CG 4.07Å; F152-K172 HydrophobicContact CG-CB 4.21Å; F152-K172 HydrophobicContact CZ-CB 3.92Å; F152-K172 PolarHBondContact N-O 3.37Å; F152-K172 WeakPolarHBondContact O-CA 3.35Å; F152-K172 VanDerWaalsContact O-CB 3.32Å; F152-K172 WeakPolarHBondContact O-CB 3.49Å; F152-K172 PolarHBondContact O-N 2.95Å; F152-P178 HydrophobicContact CD1-CB 4.19Å; F152-T180 HydrophobicContact CD2-CG2 4.2Å; F152-T180 HydrophobicContact CE2-CG2 4.39Å; F152-T180 HydrophobicContact CG-CG2 4.36Å; F152-G192 CarbonylContact C-O 3.52Å; F152-G192 VanDerWaalsContact CA-O 3.25Å; F152-G192 WeakPolarHBondContact CA-O 3.46Å; F152-G192 VanDerWaalsContact CB-O 3.28Å; F152-G192 WeakPolarHBondContact CB-O 3.33Å; F152-F193 HydrophobicContact CB-CD1 3.87Å; F152-F193 HydrophobicContact CB-CE1 4.29Å
153	F	93.9	Very high	89.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163	-175.7	64.5	-90.2	0	0	0	112.1	I137 C140 Q141 C144 Y170 L171 S191 G192	I137-F153 HydrophobicContact CD1-CD2 4.41Å; I137-F153 HydrophobicContact CD1-CE2 3.53Å; I137-F153 HydrophobicContact CD1-CZ 4.33Å; I137-F153 HydrophobicContact CG1-CE2 4.29Å; C140-F153 HydrophobicContact CB-CD2 4.42Å; C140-F153 WeakPolarHBondContact SG-CD2 3.35Å; Q141-F153 HydrophobicContact CB-CD1 4.46Å; Q141-F153 HydrophobicContact CB-CE1 3.59Å; Q141-F153 HydrophobicContact CB-CE2 4.46Å; Q141-F153 HydrophobicContact CB-CZ 3.59Å; Q141-F153 HydrophobicContact CG-CE1 3.62Å; Q141-F153 HydrophobicContact CG-CZ 3.97Å; C144-F153 HydrophobicContact CB-CB 4.12Å; C144-F153 HydrophobicContact CB-CD1 3.87Å; C144-F153 HydrophobicContact CB-CG 4.3Å; F153-Y170 CarbonylContact C-O 3.58Å; F153-Y170 WeakPolarHBondContact CA-O 3.33Å; F153-Y170 WeakPolarHBondContact CB-O 3.15Å; F153-L171 HydrophobicContact CB-CD2 4.49Å; F153-S191 VanDerWaalsContact O-CA 3.24Å; F153-S191 WeakPolarHBondContact O-CA 3.4Å; F153-S191 WeakPolarHBondContact O-CB 3.47Å; F153-S191 PolarHBondContact O-OG 2.71Å; F153-S191 VanDerWaalsContact O-OG 3.07Å; F153-G192 VanDerWaalsContact CD1-O 3.3Å; F153-G192 WeakPolarHBondContact CD1-O 3.45Å; F153-G192 VanDerWaalsContact CE1-C 3.42Å; F153-G192 WeakPolarHBondContact CE1-O 3.45Å; F153-G192 PolarHBondContact N-O 3.11Å; F153-G192 PolarHBondContact O-N 2.78Å
154	A	95.8	Very high	89.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.8	163.8	0	0	0	0	0	109.5	Y170 V189 S191	A154-Y170 PolarHBondContact N-O 2.79Å; A154-Y170 PolarHBondContact O-N 3.05Å; A154-V189 HydrophobicContact CB-CG1 4.06Å; A154-S191 WeakPolarHBondContact CB-OG 3.39Å
155	F	96.8	Very high	89	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	179	175.7	-104.1	0	0	0	110.2	T134 I137 C140 F167 K168 C169 V189 T190	T134-F155 WeakPolarHBondContact OG1-CE2 3.44Å; I137-F155 HydrophobicContact CB-CD1 4.11Å; I137-F155 HydrophobicContact CB-CE1 4.49Å; I137-F155 HydrophobicContact CD1-CB 3.38Å; I137-F155 HydrophobicContact CD1-CD1 3.88Å; I137-F155 HydrophobicContact CD1-CG 3.87Å; C140-F155 HydrophobicContact CB-CB 4.29Å; C140-F155 HydrophobicContact CB-CD2 3.97Å; C140-F155 HydrophobicContact CB-CG 4.4Å; F155-F167 HydrophobicContact CZ-CD1 4.09Å; F155-K168 WeakPolarHBondContact CA-O 3.1Å; F155-C169 HydrophobicContact CD2-CB 4.47Å; F155-V189 WeakPolarHBondContact O-CA 3.21Å; F155-T190 PolarHBondContact N-O 2.76Å; F155-T190 PolarHBondContact O-N 2.91Å
156	M	95.9	Very high	89.1	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.059	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.1	175.1	-59.2	-67.2	174.8	0	0	109.3	I165 F167 K168 Y170 V189	M156-I165 WeakPolarHBondContact CB-O 3.12Å; M156-I165 HydrophobicContact CE-CD1 4.35Å; M156-I165 HydrophobicContact CG-CD1 4.48Å; M156-I165 VanDerWaalsContact CG-O 3.27Å; M156-I165 WeakPolarHBondContact CG-O 3.08Å; M156-I165 HydrophobicContact SD-CD1 4.06Å; M156-F167 WeakPolarHBondContact O-CA 3.47Å; M156-F167 PolarHBondContact O-N 2.68Å; M156-K168 HydrophobicContact CB-CB 4.37Å; M156-K168 HydrophobicContact CG-CB 4.06Å; M156-K168 PolarHBondContact N-O 2.8Å; M156-Y170 HydrophobicContact CE-CD2 4.06Å; M156-Y170 HydrophobicContact CE-CE2 3.4Å; M156-Y170 HydrophobicContact CG-CD2 4.38Å; M156-Y170 HydrophobicContact CG-CE2 3.68Å; M156-Y170 HydrophobicContact SD-CE2 4.4Å; M156-V189 HydrophobicContact CE-CG2 4.31Å; M156-V189 HydrophobicContact SD-CG2 3.61Å
157	K	91.6	Very high	89.5	Confident	39 Å²	39	52 Å²	52	17%	0.17	27%	0.268	C	S	.	.			trans	-66.1	162.9	-177.6	-65.3	-178.4	-175.9	174.9	0	112.6	D159 H160 G188 T190	K157-D159 WeakPolarHBondContact CB-OD1 3.41Å; K157-D159 PolarHBondContact O-N 3.48Å; K157-H160 WeakPolarHBondContact O-CB 3.5Å; K157-H160 PolarHBondContact O-N 3.29Å; K157-H160 VanDerWaalsContact O-N 3.12Å; K157-G188 WeakPolarHBondContact CB-O 3.29Å; K157-G188 WeakPolarHBondContact CG-O 3.14Å; K157-G188 PolarHBondContact N-O 3Å; K157-T190 WeakPolarHBondContact CE-OG1 3.24Å
158	E	86.1	Confident	89.8	Confident	129 Å²	129	53.1 Å²	53.1	60%	0.603	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.4	175.7	-179.8	174	-165	0	0	112.8	H160 R166 F167	E158-H160 PolarHBondContact O-N 2.97Å; E158-R166 WeakPolarHBondContact O-CD 3.24Å; E158-R166 PolarHBondContact O-NE 3.24Å; E158-R166 PolarHBondContact O-NH1 3.48Å; E158-F167 HydrophobicContact CB-CE1 3.93Å; E158-F167 HydrophobicContact CB-CE2 4.23Å; E158-F167 HydrophobicContact CB-CZ 3.55Å; E158-F167 HydrophobicContact CG-CE1 4.35Å; E158-F167 HydrophobicContact CG-CE2 4.02Å; E158-F167 HydrophobicContact CG-CZ 3.5Å
159	D	86	Confident	90.6	Very high	112 Å²	112	48.1 Å²	48.1	60%	0.599	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	6.6	179.9	66.8	-18.8	0	0	0	113.3	K157	K157-D159 WeakPolarHBondContact CB-OD1 3.41Å; K157-D159 PolarHBondContact O-N 3.48Å
160	H	88.4	Confident	91.1	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.056	24%	0.244	C	C	.	.			trans	-57.7	133.7	-179.4	-166.9	-78.9	0	0	0	110.7	K157 E158 I162 I165 R166	K157-H160 WeakPolarHBondContact O-CB 3.5Å; K157-H160 PolarHBondContact O-N 3.29Å; K157-H160 VanDerWaalsContact O-N 3.12Å; E158-H160 PolarHBondContact O-N 2.97Å; H160-I162 PolarHBondContact ND1-N 3.42Å; H160-I162 VanDerWaalsContact ND1-N 3.19Å; H160-I162 PolarHBondContact O-N 2.82Å; H160-I165 WeakPolarHBondContact CE1-CD1 3.49Å; H160-R166 HydrophobicContact CB-CG 4.1Å; H160-R166 PolarHBondContact O-NE 3.08Å; H160-R166 PolarHBondContact O-NH2 3.13Å
161	P	84.1	Confident	91.4	Very high	97 Å²	97	49.7 Å²	49.7	63%	0.63	24%	0.244	S	C	*	.	S	Bend	trans	-58.4	-34.3	-174.7	-26.7	33.6	0	0	0	113.6	H163	P161-H163 PolarHBondContact O-N 2.62Å
162	I	87.1	Confident	91.6	Very high	91 Å²	91	47.9 Å²	47.9	47%	0.467	24%	0.235	S	C	.	.	S	Bend	trans	-90.3	105.7	178.8	-53.6	178.7	0	0	0	109.1	H160 N164 I165	H160-I162 PolarHBondContact ND1-N 3.42Å; H160-I162 VanDerWaalsContact ND1-N 3.19Å; H160-I162 PolarHBondContact O-N 2.82Å; I162-N164 WeakPolarHBondContact CG2-OD1 3.44Å; I162-N164 PolarHBondContact O-N 2.91Å; I162-I165 HydrophobicContact CB-CD1 3.92Å; I162-I165 HydrophobicContact CB-CG1 3.72Å; I162-I165 HydrophobicContact CD1-CD1 4.25Å; I162-I165 HydrophobicContact CG2-CD1 4.18Å; I162-I165 HydrophobicContact CG2-CG1 3.79Å; I162-I165 HydrophobicContact CG2-CG2 4.48Å; I162-I165 VanDerWaalsContact O-CG1 3.23Å; I162-I165 WeakPolarHBondContact O-CG1 3.21Å; I162-I165 PolarHBondContact O-N 3.47Å
163	H	86.1	Confident	91.5	Very high	131 Å²	131	48.8 Å²	48.8	61%	0.606	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-62.4	-39.2	-170.7	-65.4	-90.7	0	0	0	114.9	P161 I165 R166	P161-H163 PolarHBondContact O-N 2.62Å; H163-I165 PolarHBondContact O-N 3.29Å; H163-R166 VanDerWaalsContact CE1-CZ 3.45Å; H163-R166 PolarHBondContact CE1-NH2 3.28Å; H163-R166 PolarHBondContact ND1-NE 2.95Å; H163-R166 PolarHBondContact ND1-NH1 3.2Å; H163-R166 PolarHBondContact ND1-NH2 2.71Å; H163-R166 VanDerWaalsContact ND1-NH2 3.15Å; H163-R166 WeakPolarHBondContact O-CB 3.34Å; H163-R166 WeakPolarHBondContact O-CG 3.34Å; H163-R166 PolarHBondContact O-N 2.89Å
164	N	87.6	Confident	90.9	Very high	119 Å²	119	49.8 Å²	49.8	64%	0.636	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-75.9	-1.5	-175.8	69.9	-43.3	0	0	0	114.1	I162 K168	I162-N164 WeakPolarHBondContact CG2-OD1 3.44Å; I162-N164 PolarHBondContact O-N 2.91Å; N164-K168 VanDerWaalsContact O-CE 3.29Å; N164-K168 WeakPolarHBondContact O-CE 3.31Å
165	I	89.5	Confident	89.7	Confident	26 Å²	26	51.3 Å²	51.3	13%	0.133	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-115.4	1.8	174	64.9	165.9	0	0	0	113.5	M156 H160 I162 H163 K168	M156-I165 WeakPolarHBondContact CB-O 3.12Å; M156-I165 HydrophobicContact CE-CD1 4.35Å; M156-I165 HydrophobicContact CG-CD1 4.48Å; M156-I165 VanDerWaalsContact CG-O 3.27Å; M156-I165 WeakPolarHBondContact CG-O 3.08Å; M156-I165 HydrophobicContact SD-CD1 4.06Å; H160-I165 WeakPolarHBondContact CE1-CD1 3.49Å; I162-I165 HydrophobicContact CB-CD1 3.92Å; I162-I165 HydrophobicContact CB-CG1 3.72Å; I162-I165 HydrophobicContact CD1-CD1 4.25Å; I162-I165 HydrophobicContact CG2-CD1 4.18Å; I162-I165 HydrophobicContact CG2-CG1 3.79Å; I162-I165 HydrophobicContact CG2-CG2 4.48Å; I162-I165 VanDerWaalsContact O-CG1 3.23Å; I162-I165 WeakPolarHBondContact O-CG1 3.21Å; I162-I165 PolarHBondContact O-N 3.47Å; H163-I165 PolarHBondContact O-N 3.29Å; I165-K168 HydrophobicContact CB-CD 3.9Å; I165-K168 HydrophobicContact CB-CG 4.47Å; I165-K168 HydrophobicContact CG2-CD 4.01Å; I165-K168 VanDerWaalsContact O-CB 3.28Å; I165-K168 WeakPolarHBondContact O-CB 3.24Å; I165-K168 WeakPolarHBondContact O-CG 3.5Å; I165-K168 PolarHBondContact O-N 2.9Å
166	R	92.4	Very high	87.8	Confident	68 Å²	68	51.8 Å²	51.8	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	147	171.2	-67.4	171.6	177.8	-160.8	-7.1	110.4	F133 E158 H160 H163 K168	F133-R166 WeakPolarHBondContact CE1-O 3.49Å; E158-R166 WeakPolarHBondContact O-CD 3.24Å; E158-R166 PolarHBondContact O-NE 3.24Å; E158-R166 PolarHBondContact O-NH1 3.48Å; H160-R166 HydrophobicContact CB-CG 4.1Å; H160-R166 PolarHBondContact O-NE 3.08Å; H160-R166 PolarHBondContact O-NH2 3.13Å; H163-R166 VanDerWaalsContact CE1-CZ 3.45Å; H163-R166 PolarHBondContact CE1-NH2 3.28Å; H163-R166 PolarHBondContact ND1-NE 2.95Å; H163-R166 PolarHBondContact ND1-NH1 3.2Å; H163-R166 PolarHBondContact ND1-NH2 2.71Å; H163-R166 VanDerWaalsContact ND1-NH2 3.15Å; H163-R166 WeakPolarHBondContact O-CB 3.34Å; H163-R166 WeakPolarHBondContact O-CG 3.34Å; H163-R166 PolarHBondContact O-N 2.89Å; R166-K168 PolarHBondContact O-N 2.83Å
167	F	95.5	Very high	85.8	Confident	68 Å²	68	52.7 Å²	52.7	30%	0.298	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	6.9	-179.3	-56.3	-75.5	0	0	0	114.8	F133 T134 P135 F155 M156 E158 C169	F133-F167 VanDerWaalsContact CA-O 3.32Å; F133-F167 WeakPolarHBondContact CA-O 3.29Å; F133-F167 HydrophobicContact CD1-CB 4.26Å; T134-F167 PolarHBondContact N-O 3.43Å; T134-F167 WeakPolarHBondContact O-CB 3.35Å; P135-F167 WeakPolarHBondContact O-CD1 3.45Å; P135-F167 WeakPolarHBondContact O-CE1 3.09Å; F155-F167 HydrophobicContact CZ-CD1 4.09Å; M156-F167 WeakPolarHBondContact O-CA 3.47Å; M156-F167 PolarHBondContact O-N 2.68Å; E158-F167 HydrophobicContact CB-CE1 3.93Å; E158-F167 HydrophobicContact CB-CE2 4.23Å; E158-F167 HydrophobicContact CB-CZ 3.55Å; E158-F167 HydrophobicContact CG-CE1 4.35Å; E158-F167 HydrophobicContact CG-CE2 4.02Å; E158-F167 HydrophobicContact CG-CZ 3.5Å; F167-C169 PolarHBondContact O-N 2.02Å
168	K	96.6	Very high	84	Confident	48 Å²	48	52.5 Å²	52.5	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.7	174.6	-72.9	-169.4	178.2	-178.7	0	110.3	L132 F133 F155 M156 N164 I165 R166 Y170	L132-K168 WeakPolarHBondContact O-CA 3.25Å; F133-K168 HydrophobicContact CD1-CG 3.81Å; F133-K168 HydrophobicContact CE1-CD 4.24Å; F133-K168 HydrophobicContact CE1-CG 3.35Å; F133-K168 HydrophobicContact CZ-CD 4.32Å; F133-K168 VanDerWaalsContact CZ-CE 3.5Å; F133-K168 HydrophobicContact CZ-CG 3.85Å; F155-K168 WeakPolarHBondContact CA-O 3.1Å; M156-K168 HydrophobicContact CB-CB 4.37Å; M156-K168 HydrophobicContact CG-CB 4.06Å; M156-K168 PolarHBondContact N-O 2.8Å; N164-K168 VanDerWaalsContact O-CE 3.29Å; N164-K168 WeakPolarHBondContact O-CE 3.31Å; I165-K168 HydrophobicContact CB-CD 3.9Å; I165-K168 HydrophobicContact CB-CG 4.47Å; I165-K168 HydrophobicContact CG2-CD 4.01Å; I165-K168 VanDerWaalsContact O-CB 3.28Å; I165-K168 WeakPolarHBondContact O-CB 3.24Å; I165-K168 WeakPolarHBondContact O-CG 3.5Å; I165-K168 PolarHBondContact O-N 2.9Å; R166-K168 PolarHBondContact O-N 2.83Å; K168-Y170 HydrophobicContact CB-CD2 4.32Å; K168-Y170 HydrophobicContact CB-CE2 3.63Å; K168-Y170 HydrophobicContact CD-CE2 4.41Å; K168-Y170 WeakPolarHBondContact CD-OH 3.2Å
169	C	97.4	Very high	82.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.5	168.7	-178.8	0	0	0	0	108.9	T131 L132 T134 C140 F155 F167	T131-C169 WeakPolarHBondContact CA-O 3.46Å; L132-C169 HydrophobicContact CD2-CB 4.17Å; L132-C169 HydrophobicContact CG-CB 4.18Å; L132-C169 PolarHBondContact N-O 2.86Å; L132-C169 PolarHBondContact O-N 2.87Å; T134-C169 HydrophobicContact CG2-CB 3.84Å; C140-C169 WeakPolarHBondContact CA-SG 3.41Å; C140-C169 HydrophobicContact CB-CB 3.74Å; C140-C169 WeakPolarHBondContact CB-SG 3.49Å; C140-C169 WeakPolarHBondContact SG-CB 3.47Å; C140-C169 CovalentContact SG-SG 2.04Å; C140-C169 PolarHBondContact SG-SG 3.05Å; F155-C169 HydrophobicContact CD2-CB 4.47Å; F167-C169 PolarHBondContact O-N 2.02Å
170	Y	96.6	Very high	81.7	Confident	39 Å²	39	45.3 Å²	45.3	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.4	176.4	-65	-99	0	0	0	108.7	D128 T131 F153 A154 M156 K168	D128-Y170 HydrophobicContact CB-CD1 4.48Å; D128-Y170 WeakPolarHBondContact OD1-CB 3.24Å; T131-Y170 HydrophobicContact CG2-CD1 3.33Å; T131-Y170 HydrophobicContact CG2-CE1 3.58Å; T131-Y170 HydrophobicContact CG2-CG 4.15Å; F153-Y170 CarbonylContact C-O 3.58Å; F153-Y170 WeakPolarHBondContact CA-O 3.33Å; F153-Y170 WeakPolarHBondContact CB-O 3.15Å; A154-Y170 PolarHBondContact N-O 2.79Å; A154-Y170 PolarHBondContact O-N 3.05Å; M156-Y170 HydrophobicContact CE-CD2 4.06Å; M156-Y170 HydrophobicContact CE-CE2 3.4Å; M156-Y170 HydrophobicContact CG-CD2 4.38Å; M156-Y170 HydrophobicContact CG-CE2 3.68Å; M156-Y170 HydrophobicContact SD-CE2 4.4Å; K168-Y170 HydrophobicContact CB-CD2 4.32Å; K168-Y170 HydrophobicContact CB-CE2 3.63Å; K168-Y170 HydrophobicContact CD-CE2 4.41Å; K168-Y170 WeakPolarHBondContact CD-OH 3.2Å
171	L	95.1	Very high	81.2	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.1	174.1	-53.3	-167.7	0	0	0	109.6	Y129 R130 L132 V143 C144 D147 C150 F153	Y129-L171 HydrophobicContact CD1-CB 4.49Å; Y129-L171 VanDerWaalsContact CD1-O 3.27Å; Y129-L171 WeakPolarHBondContact CD1-O 3.16Å; Y129-L171 HydrophobicContact CE1-CB 3.78Å; Y129-L171 HydrophobicContact CE2-CB 4.33Å; Y129-L171 PolarHBondContact N-O 2.94Å; R130-L171 HydrophobicContact CB-CB 4.24Å; R130-L171 HydrophobicContact CB-CD1 4.42Å; R130-L171 HydrophobicContact CB-CG 4.48Å; R130-L171 PolarHBondContact N-O 3.5Å; R130-L171 PolarHBondContact O-N 3.49Å; L132-L171 HydrophobicContact CD2-CD1 4.24Å; L132-L171 HydrophobicContact CD2-CD2 4.25Å; L132-L171 HydrophobicContact CD2-CG 3.94Å; V143-L171 HydrophobicContact CG1-CD1 4.04Å; V143-L171 HydrophobicContact CG1-CD2 4.39Å; C144-L171 HydrophobicContact CB-CD2 3.77Å; D147-L171 HydrophobicContact CB-CD1 3.98Å; C150-L171 HydrophobicContact CB-CB 4.31Å; C150-L171 HydrophobicContact CB-CD1 4.44Å; F153-L171 HydrophobicContact CB-CD2 4.49Å
172	K	91.6	Very high	81.3	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.5	-169.1	-57.5	164.4	-178.9	-81.8	0	112.4	F124 G126 A127 D128 Q151 F152	F124-K172 HydrophobicContact CB-CD 4.36Å; F124-K172 WeakPolarHBondContact O-CD 3.35Å; F124-K172 WeakPolarHBondContact O-CE 3.5Å; F124-K172 PolarHBondContact O-NZ 3.49Å; G126-K172 PolarHBondContact O-NZ 3.16Å; A127-K172 HydrophobicContact CB-CB 4.18Å; A127-K172 WeakPolarHBondContact O-CA 3.02Å; A127-K172 WeakPolarHBondContact O-CB 3.31Å; D128-K172 WeakPolarHBondContact OD1-CE 3.49Å; D128-K172 VanDerWaalsContact OD1-CG 3.23Å; D128-K172 WeakPolarHBondContact OD1-CG 3.35Å; D128-K172 IonicContact OD1-NZ 3.04Å; D128-K172 PolarHBondContact OD1-NZ 3Å; D128-K172 IonicContact OD2-NZ 3.99Å; Q151-K172 PolarHBondContact N-O 2.85Å; F152-K172 HydrophobicContact CD2-CB 3.45Å; F152-K172 VanDerWaalsContact CD2-CB 3.45Å; F152-K172 HydrophobicContact CD2-CD 3.59Å; F152-K172 HydrophobicContact CD2-CG 4.16Å; F152-K172 HydrophobicContact CE2-CB 3.29Å; F152-K172 HydrophobicContact CE2-CD 3.65Å; F152-K172 HydrophobicContact CE2-CG 4.07Å; F152-K172 HydrophobicContact CG-CB 4.21Å; F152-K172 HydrophobicContact CZ-CB 3.92Å; F152-K172 PolarHBondContact N-O 3.37Å; F152-K172 WeakPolarHBondContact O-CA 3.35Å; F152-K172 VanDerWaalsContact O-CB 3.32Å; F152-K172 WeakPolarHBondContact O-CB 3.49Å; F152-K172 PolarHBondContact O-N 2.95Å
173	F	87.3	Confident	81.4	Confident	19 Å²	19	41.2 Å²	41.2	8%	0.083	20%	0.2	C	C	.	.			trans	-139.4	140.3	-177.6	173.9	-91.1	0	0	0	111.7	A127 Y129 G149 Q151 W175 A239 H240 P241	A127-F173 VanDerWaalsContact CB-O 3.27Å; A127-F173 WeakPolarHBondContact CB-O 3.17Å; A127-F173 PolarHBondContact O-N 2.89Å; A127-F173 VanDerWaalsContact O-N 3.1Å; Y129-F173 HydrophobicContact CD1-CB 3.8Å; Y129-F173 HydrophobicContact CE1-CB 4.07Å; G149-F173 WeakPolarHBondContact O-CB 3.4Å; G149-F173 VanDerWaalsContact O-CD2 3.24Å; G149-F173 WeakPolarHBondContact O-CD2 3.1Å; Q151-F173 HydrophobicContact CG-CD2 4.11Å; F173-W175 AromaticContact CE1-CD2 3.94Å; F173-W175 HydrophobicContact CE1-CD2 3.94Å; F173-W175 AromaticContact CE1-CE2 3.74Å; F173-W175 HydrophobicContact CE1-CE3 4.4Å; F173-W175 HydrophobicContact CE1-CG 4.32Å; F173-W175 HydrophobicContact CE1-CZ2 4.08Å; F173-W175 AromaticContact CE1-NE1 3.92Å; F173-W175 HydrophobicContact CZ-CD2 4.05Å; F173-W175 HydrophobicContact CZ-CE3 4.04Å; F173-W175 HydrophobicContact CZ-CH2 4.34Å; F173-W175 HydrophobicContact CZ-CZ2 4.31Å; F173-W175 HydrophobicContact CZ-CZ3 4.19Å; F173-A239 VanDerWaalsContact CE2-O 3.24Å; F173-A239 WeakPolarHBondContact CE2-O 3.11Å; F173-H240 AromaticContact CD1-CD2 3.78Å; F173-H240 AromaticContact CD1-NE2 3.97Å; F173-H240 HydrophobicContact CE1-CB 4.36Å; F173-H240 AromaticContact CE1-CD2 3.46Å; F173-H240 VanDerWaalsContact CE1-CD2 3.46Å; F173-H240 WeakPolarHBondContact CE1-CD2 2.99Å; F173-P241 HydrophobicContact CB-CG 3.74Å; F173-P241 HydrophobicContact CD1-CG 4.39Å; F173-P241 HydrophobicContact CD2-CG 4.33Å; F173-P241 VanDerWaalsContact CG-CD 3.5Å; F173-P241 HydrophobicContact CG-CG 3.9Å
174	S	82	Confident	81.6	Confident	21 Å²	21	38.1 Å²	38.1	15%	0.147	19%	0.187	C	C	.	.			trans	-146.4	142.3	177.5	-172.3	0	0	0	0	111.2	Q151 S176 R179	Q151-S174 PolarHBondContact NE2-O 2.91Å; Q151-S174 PolarHBondContact OE1-O 2.7Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.04Å; S174-R179 WeakPolarHBondContact CB-O 3.23Å; S174-R179 PolarHBondContact OG-O 2.96Å
175	W	70.7	Confident	81.8	Confident	32 Å²	32	38 Å²	38	12%	0.121	18%	0.18	C	C	.	.	S	Bend	trans	-69.5	-29.5	-177.9	-67.7	101.5	0	0	0	114.4	F173 E223 L236 A239 H240 L257 T349 M350	F173-W175 AromaticContact CE1-CD2 3.94Å; F173-W175 HydrophobicContact CE1-CD2 3.94Å; F173-W175 AromaticContact CE1-CE2 3.74Å; F173-W175 HydrophobicContact CE1-CE3 4.4Å; F173-W175 HydrophobicContact CE1-CG 4.32Å; F173-W175 HydrophobicContact CE1-CZ2 4.08Å; F173-W175 AromaticContact CE1-NE1 3.92Å; F173-W175 HydrophobicContact CZ-CD2 4.05Å; F173-W175 HydrophobicContact CZ-CE3 4.04Å; F173-W175 HydrophobicContact CZ-CH2 4.34Å; F173-W175 HydrophobicContact CZ-CZ2 4.31Å; F173-W175 HydrophobicContact CZ-CZ3 4.19Å; W175-E223 WeakPolarHBondContact CZ2-OE1 3.41Å; W175-E223 PolarHBondContact NE1-OE1 3.41Å; W175-E223 PolarHBondContact NE1-OE2 3.39Å; W175-L236 HydrophobicContact CH2-CB 4.08Å; W175-L236 HydrophobicContact CH2-CD2 4.5Å; W175-L236 VanDerWaalsContact CH2-O 3.23Å; W175-L236 WeakPolarHBondContact CH2-O 3.5Å; W175-L236 HydrophobicContact CZ3-CB 4.31Å; W175-L236 HydrophobicContact CZ3-CD2 3.93Å; W175-A239 HydrophobicContact CZ3-CB 4.43Å; W175-H240 AromaticContact CE2-CD2 3.94Å; W175-H240 HydrophobicContact CH2-CB 3.83Å; W175-H240 HydrophobicContact CZ2-CB 3.66Å; W175-H240 AromaticContact CZ2-CD2 3.57Å; W175-H240 AromaticContact CZ2-CG 3.97Å; W175-H240 AromaticContact NE1-CD2 3.91Å; W175-L257 HydrophobicContact CH2-CD1 3.62Å; W175-L257 HydrophobicContact CZ2-CD1 3.32Å; W175-T349 HydrophobicContact CB-CG2 4.38Å; W175-T349 CarbonylContact O-C 3.55Å; W175-T349 WeakPolarHBondContact O-CA 3.49Å; W175-T349 WeakPolarHBondContact O-CB 3.03Å; W175-T349 WeakPolarHBondContact O-CG2 3.32Å; W175-M350 HydrophobicContact CE3-CE 4.21Å; W175-M350 HydrophobicContact CZ3-CE 3.59Å; W175-M350 PolarHBondContact O-N 2.96Å
176	S	56.2	Low	81.9	Confident	21 Å²	21	39.8 Å²	39.8	15%	0.147	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-82.2	134	175.3	-44.6	0	0	0	0	109	S174 R179 I348 T349	S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.04Å; S176-R179 PolarHBondContact O-N 3.44Å; S176-I348 CarbonylContact C-O 3.56Å; S176-T349 WeakPolarHBondContact OG-CG2 2.99Å
177	V	53.7	Low	81.9	Confident	31 Å²	31	40.1 Å²	40.1	19%	0.188	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-22.9	119	171.1	161	0	0	0	0	109.4	Q56 R179 I348	Q56-V177 HydrophobicContact CG-CG2 4.44Å; V177-R179 WeakPolarHBondContact O-CA 3.42Å; V177-R179 PolarHBondContact O-N 2.59Å; V177-I348 HydrophobicContact CB-CG2 4Å; V177-I348 VanDerWaalsContact CB-O 3.23Å; V177-I348 WeakPolarHBondContact CB-O 3.25Å; V177-I348 HydrophobicContact CG2-CG2 4.41Å; V177-I348 WeakPolarHBondContact CG2-O 3.42Å; V177-I348 PolarHBondContact N-O 3.28Å
178	P	53.5	Low	81.7	Confident	35 Å²	35	37.1 Å²	37.1	23%	0.227	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-3.3	58.6	-161.7	-24.8	5.5	0	0	0	116.4	H49 F152 T180 F193	H49-P178 PolarHBondContact NE2-O 3.14Å; F152-P178 HydrophobicContact CD1-CB 4.19Å; P178-T180 VanDerWaalsContact C-N 3.25Å; P178-T180 PolarHBondContact O-N 3.31Å; P178-F193 HydrophobicContact CB-CD1 3.44Å; P178-F193 VanDerWaalsContact CB-CD1 3.44Å; P178-F193 HydrophobicContact CB-CE1 3.3Å; P178-F193 HydrophobicContact CB-CZ 4.46Å; P178-F193 HydrophobicContact CG-CD1 4.14Å; P178-F193 HydrophobicContact CG-CE1 4.34Å
179	R	62.8	Low	81.6	Confident	90 Å²	90	34.9 Å²	34.9	34%	0.34	18%	0.183	S	C	.	.			trans	-82.3	91.3	-172	-175.5	-174.6	178.2	-162.6	4	105.1	L42 S174 S176 V177 P181	L42-R179 VanDerWaalsContact CD2-CZ 3.48Å; L42-R179 VanDerWaalsContact CD2-NH2 3.25Å; S174-R179 WeakPolarHBondContact CB-O 3.23Å; S174-R179 PolarHBondContact OG-O 2.96Å; S176-R179 PolarHBondContact O-N 3.44Å; V177-R179 WeakPolarHBondContact O-CA 3.42Å; V177-R179 PolarHBondContact O-N 2.59Å; R179-P181 WeakPolarHBondContact O-CD 3.4Å
180	T	61.9	Low	81.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.			trans	-47.2	108	161.6	50.7	0	0	0	0	106.9	F124 F152 P178 I182 V183 F193	F124-T180 HydrophobicContact CB-CG2 3.82Å; F124-T180 HydrophobicContact CD1-CG2 3.77Å; F124-T180 HydrophobicContact CD2-CG2 3.24Å; F124-T180 HydrophobicContact CE1-CG2 4.11Å; F124-T180 HydrophobicContact CE2-CG2 3.58Å; F124-T180 HydrophobicContact CG-CG2 3.32Å; F124-T180 HydrophobicContact CZ-CG2 4Å; F152-T180 HydrophobicContact CD2-CG2 4.2Å; F152-T180 HydrophobicContact CE2-CG2 4.39Å; F152-T180 HydrophobicContact CG-CG2 4.36Å; P178-T180 VanDerWaalsContact C-N 3.25Å; P178-T180 PolarHBondContact O-N 3.31Å; T180-I182 PolarHBondContact O-N 3.44Å; T180-V183 VanDerWaalsContact CB-CG2 3.49Å; T180-V183 HydrophobicContact CG2-CG2 4.27Å; T180-V183 WeakPolarHBondContact OG1-CG2 3.12Å; T180-F193 HydrophobicContact CG2-CE1 4.13Å; T180-F193 HydrophobicContact CG2-CZ 4.28Å
181	P	76.7	Confident	81.4	Confident	47 Å²	47	33.3 Å²	33.3	31%	0.305	18%	0.178	S	C	.	.	S	Bend	trans	-58.9	-40.8	-169.7	-25.7	33.9	0	0	0	111.2	Y43 A127 R179	Y43-P181 WeakPolarHBondContact CD2-O 3.4Å; A127-P181 HydrophobicContact CB-CG 3.68Å; R179-P181 WeakPolarHBondContact O-CD 3.4Å
182	I	86.6	Confident	81.2	Confident	64 Å²	64	33.3 Å²	33.3	33%	0.328	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.1	173.1	-62.1	174.3	0	0	0	106.8	Y43 F124 F125 T180	Y43-I182 HydrophobicContact CE1-CG2 4.35Å; Y43-I182 HydrophobicContact CE2-CB 4.44Å; Y43-I182 HydrophobicContact CE2-CG1 4.11Å; Y43-I182 HydrophobicContact CE2-CG2 4.5Å; F124-I182 CarbonylContact C-O 3.45Å; F124-I182 WeakPolarHBondContact CA-O 3.23Å; F125-I182 HydrophobicContact CB-CB 4.17Å; F125-I182 HydrophobicContact CB-CG2 4.39Å; F125-I182 HydrophobicContact CD1-CD1 4.14Å; F125-I182 PolarHBondContact N-O 2.85Å; T180-I182 PolarHBondContact O-N 3.44Å
183	V	89.4	Confident	81.1	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	170.5	-178.5	0	0	0	0	107.4	Y43 P45 F77 V122 D123 F124 T180	Y43-V183 HydrophobicContact CD1-CB 4.22Å; P45-V183 HydrophobicContact CB-CG1 4.19Å; P45-V183 HydrophobicContact CB-CG2 4.45Å; F77-V183 HydrophobicContact CB-CB 3.9Å; F77-V183 HydrophobicContact CB-CG1 3.99Å; F77-V183 HydrophobicContact CD1-CB 4.43Å; F77-V183 HydrophobicContact CD1-CG1 3.59Å; F77-V183 HydrophobicContact CD2-CB 4.24Å; F77-V183 HydrophobicContact CD2-CG1 3.8Å; F77-V183 VanDerWaalsContact CD2-O 3.27Å; F77-V183 WeakPolarHBondContact CD2-O 3.31Å; F77-V183 HydrophobicContact CE1-CG1 3.87Å; F77-V183 HydrophobicContact CE2-CG1 4.1Å; F77-V183 HydrophobicContact CG-CB 3.97Å; F77-V183 HydrophobicContact CG-CG1 3.53Å; F77-V183 HydrophobicContact CZ-CG1 4.14Å; V122-V183 HydrophobicContact CG1-CG1 3.41Å; V122-V183 VanDerWaalsContact CG1-CG1 3.41Å; D123-V183 WeakPolarHBondContact O-CA 3.14Å; F124-V183 HydrophobicContact CD1-CG1 4.25Å; F124-V183 HydrophobicContact CD1-CG2 4.05Å; F124-V183 HydrophobicContact CE1-CG1 4.24Å; F124-V183 HydrophobicContact CE1-CG2 4.31Å; T180-V183 VanDerWaalsContact CB-CG2 3.49Å; T180-V183 HydrophobicContact CG2-CG2 4.27Å; T180-V183 WeakPolarHBondContact OG1-CG2 3.12Å
184	E	91.5	Very high	81.1	Confident	67 Å²	67	33.3 Å²	33.3	31%	0.313	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.5	-177	64.7	177.8	-161.7	0	0	111.9	V122 D123 F125 K186	V122-E184 CarbonylContact C-O 3.58Å; V122-E184 VanDerWaalsContact CA-O 3.3Å; V122-E184 WeakPolarHBondContact CA-O 3.39Å; D123-E184 HydrophobicContact CB-CG 3.95Å; D123-E184 PolarHBondContact N-O 2.87Å; D123-E184 PolarHBondContact O-N 2.7Å; F125-E184 HydrophobicContact CB-CG 4.39Å; E184-K186 PolarHBondContact O-N 2.82Å; E184-K186 IonicContact OE1-NZ 3.17Å; E184-K186 PolarHBondContact OE1-NZ 2.74Å; E184-K186 VanDerWaalsContact OE1-NZ 3.17Å
185	K	90.9	Very high	81.2	Confident	115 Å²	115	35.8 Å²	35.8	50%	0.5	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124	169.4	-66.4	177.7	-179.9	167.1	0	108.6	P68 H76 F77 N121	P68-K185 WeakPolarHBondContact O-CE 3.05Å; P68-K185 PolarHBondContact O-NZ 2.78Å; H76-K185 PolarHBondContact CD2-NZ 2.63Å; H76-K185 PolarHBondContact NE2-NZ 3.33Å; F77-K185 HydrophobicContact CE2-CG 3.9Å; F77-K185 HydrophobicContact CZ-CG 4.24Å; N121-K185 WeakPolarHBondContact O-CA 3.17Å
186	K	91.9	Very high	81.4	Confident	64 Å²	64	38.9 Å²	38.9	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	106.7	179.8	-161.8	170.7	-167.5	158.7	0	111.4	N121 D123 E184 V189	N121-K186 CarbonylContact C-O 3.13Å; N121-K186 WeakPolarHBondContact CA-O 3.35Å; N121-K186 PolarHBondContact O-N 3.18Å; D123-K186 HydrophobicContact CB-CB 3.84Å; D123-K186 HydrophobicContact CB-CD 3.56Å; D123-K186 HydrophobicContact CB-CG 4.39Å; D123-K186 VanDerWaalsContact OD2-CD 3.26Å; D123-K186 WeakPolarHBondContact OD2-CD 3.37Å; D123-K186 IonicContact OD2-NZ 2.79Å; D123-K186 PolarHBondContact OD2-NZ 3.29Å; E184-K186 PolarHBondContact O-N 2.82Å; E184-K186 IonicContact OE1-NZ 3.17Å; E184-K186 PolarHBondContact OE1-NZ 2.74Å; E184-K186 VanDerWaalsContact OE1-NZ 3.17Å; K186-V189 HydrophobicContact CB-CB 4.33Å; K186-V189 HydrophobicContact CB-CG2 4.2Å; K186-V189 HydrophobicContact CD-CG2 3.79Å; K186-V189 HydrophobicContact CG-CB 4.47Å; K186-V189 HydrophobicContact CG-CG2 3.8Å; K186-V189 PolarHBondContact O-N 3.14Å
187	A	91.6	Very high	81.4	Confident	76 Å²	76	42 Å²	42	63%	0.628	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.9	179.6	0	0	0	0	0	111.3	V189	A187-V189 VanDerWaalsContact C-N 3.29Å; A187-V189 PolarHBondContact O-N 2.91Å
188	G	91.8	Very high	81.4	Confident	5 Å²	5	47.8 Å²	47.8	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81	3.5	-179.8	0	0	0	0	0	114.7	N121 K157	N121-G188 PolarHBondContact OD1-N 2.89Å; K157-G188 WeakPolarHBondContact CB-O 3.29Å; K157-G188 WeakPolarHBondContact CG-O 3.14Å; K157-G188 PolarHBondContact N-O 3Å
189	V	93.9	Very high	80.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.2	175.3	-173.3	0	0	0	0	110	N121 V122 D123 A154 F155 M156 K186 A187	N121-V189 WeakPolarHBondContact CA-O 3.48Å; N121-V189 PolarHBondContact N-O 3.13Å; V122-V189 PolarHBondContact N-O 3.36Å; D123-V189 HydrophobicContact CB-CB 4.41Å; D123-V189 HydrophobicContact CB-CG1 3.97Å; A154-V189 HydrophobicContact CB-CG1 4.06Å; F155-V189 WeakPolarHBondContact O-CA 3.21Å; M156-V189 HydrophobicContact CE-CG2 4.31Å; M156-V189 HydrophobicContact SD-CG2 3.61Å; K186-V189 HydrophobicContact CB-CB 4.33Å; K186-V189 HydrophobicContact CB-CG2 4.2Å; K186-V189 HydrophobicContact CD-CG2 3.79Å; K186-V189 HydrophobicContact CG-CB 4.47Å; K186-V189 HydrophobicContact CG-CG2 3.8Å; K186-V189 PolarHBondContact O-N 3.14Å; A187-V189 VanDerWaalsContact C-N 3.29Å; A187-V189 PolarHBondContact O-N 2.91Å
190	T	94.9	Very high	80.1	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.043	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	169.1	-57.4	0	0	0	0	109.2	V118 F119 Q120 I137 F155 K157	V118-T190 HydrophobicContact CB-CG2 4.15Å; F119-T190 WeakPolarHBondContact O-CA 3.17Å; Q120-T190 HydrophobicContact CG-CG2 4.49Å; I137-T190 HydrophobicContact CD1-CG2 3.53Å; I137-T190 HydrophobicContact CG1-CG2 3.95Å; F155-T190 PolarHBondContact N-O 2.76Å; F155-T190 PolarHBondContact O-N 2.91Å; K157-T190 WeakPolarHBondContact CE-OG1 3.24Å
191	S	94.7	Very high	79.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	162.1	175.6	-83.6	0	0	0	0	112.5	V118 F119 V122 F124 F153 A154	V118-S191 CarbonylContact C-O 3.55Å; V118-S191 WeakPolarHBondContact CA-O 3.48Å; F119-S191 PolarHBondContact N-O 3.35Å; F119-S191 PolarHBondContact O-N 2.97Å; V122-S191 WeakPolarHBondContact O-CB 3.3Å; V122-S191 PolarHBondContact O-N 3.14Å; V122-S191 PolarHBondContact O-OG 3.31Å; F124-S191 VanDerWaalsContact CG-CB 3.49Å; F124-S191 PolarHBondContact N-OG 2.81Å; F124-S191 VanDerWaalsContact N-OG 3.12Å; F153-S191 VanDerWaalsContact O-CA 3.24Å; F153-S191 WeakPolarHBondContact O-CA 3.4Å; F153-S191 WeakPolarHBondContact O-CB 3.47Å; F153-S191 PolarHBondContact O-OG 2.71Å; F153-S191 VanDerWaalsContact O-OG 3.07Å; A154-S191 WeakPolarHBondContact CB-OG 3.39Å
192	G	91.6	Very high	78.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	172.4	177.4	0	0	0	0	0	112	F152 F153	F152-G192 CarbonylContact C-O 3.52Å; F152-G192 VanDerWaalsContact CA-O 3.25Å; F152-G192 WeakPolarHBondContact CA-O 3.46Å; F152-G192 VanDerWaalsContact CB-O 3.28Å; F152-G192 WeakPolarHBondContact CB-O 3.33Å; F153-G192 VanDerWaalsContact CD1-O 3.3Å; F153-G192 WeakPolarHBondContact CD1-O 3.45Å; F153-G192 VanDerWaalsContact CE1-C 3.42Å; F153-G192 WeakPolarHBondContact CE1-O 3.45Å; F153-G192 PolarHBondContact N-O 3.11Å; F153-G192 PolarHBondContact O-N 2.78Å
193	F	89.1	Confident	77.1	Confident	5 Å²	5	66.7 Å²	66.7	2%	0.022	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	153	177.6	-62.5	-78.5	0	0	0	111.4	P45 H49 F115 F119 F124 Q141 F152 P178 T180	P45-F193 HydrophobicContact CG-CE2 3.75Å; P45-F193 HydrophobicContact CG-CZ 3.68Å; H49-F193 AromaticContact CD2-CZ 3.9Å; H49-F193 AromaticContact NE2-CZ 4Å; F115-F193 HydrophobicContact CB-CB 4.22Å; F115-F193 HydrophobicContact CB-CD2 3.44Å; F115-F193 VanDerWaalsContact CB-CD2 3.44Å; F115-F193 HydrophobicContact CB-CE2 4.05Å; F115-F193 HydrophobicContact CB-CG 4.03Å; F115-F193 HydrophobicContact CG-CD2 4.13Å; F115-F193 HydrophobicContact CG-CE2 4.31Å; F119-F193 HydrophobicContact CE2-CD2 4.09Å; F119-F193 AromaticContact CE2-CE2 3.72Å; F119-F193 HydrophobicContact CE2-CE2 3.72Å; F119-F193 HydrophobicContact CZ-CE2 4.28Å; F124-F193 HydrophobicContact CE2-CE1 4.12Å; F124-F193 HydrophobicContact CE2-CE2 4.16Å; F124-F193 AromaticContact CE2-CZ 3.96Å; F124-F193 HydrophobicContact CE2-CZ 3.96Å; F124-F193 HydrophobicContact CZ-CE2 4.17Å; F124-F193 HydrophobicContact CZ-CZ 4.15Å; Q141-F193 PolarHBondContact NE2-O 2.86Å; Q141-F193 VanDerWaalsContact NE2-O 3.07Å; F152-F193 HydrophobicContact CB-CD1 3.87Å; F152-F193 HydrophobicContact CB-CE1 4.29Å; P178-F193 HydrophobicContact CB-CD1 3.44Å; P178-F193 VanDerWaalsContact CB-CD1 3.44Å; P178-F193 HydrophobicContact CB-CE1 3.3Å; P178-F193 HydrophobicContact CB-CZ 4.46Å; P178-F193 HydrophobicContact CG-CD1 4.14Å; P178-F193 HydrophobicContact CG-CE1 4.34Å; T180-F193 HydrophobicContact CG2-CE1 4.13Å; T180-F193 HydrophobicContact CG2-CZ 4.28Å
194	A	87.6	Confident	75.8	Confident	17 Å²	17	73 Å²	73	14%	0.14	37%	0.374	C	S	.	.			trans	-62.8	132.3	168.4	0	0	0	0	0	109.3	Q151 K196	Q151-A194 WeakPolarHBondContact O-CB 3.21Å; Q151-A194 PolarHBondContact O-N 3.39Å; A194-K196 HydrophobicContact CB-CG 4.12Å; A194-K196 PolarHBondContact O-N 2.79Å; A194-K196 VanDerWaalsContact O-N 3.11Å
195	Q	84.6	Confident	75.2	Confident	73 Å²	73	74.4 Å²	74.4	34%	0.341	39%	0.388	S	S	.	.			trans	-90.6	56.1	178	-64.6	-176.7	3.8	0	0	110.2	Q141 T145 T197	Q141-Q195 VanDerWaalsContact CD-NE2 3.35Å; Q141-Q195 HydrophobicContact CG-CG 4.45Å; Q141-Q195 VanDerWaalsContact NE2-NE2 3.13Å; T145-Q195 VanDerWaalsContact CG2-C 3.49Å; T145-Q195 HydrophobicContact CG2-CB 4.23Å; T145-Q195 WeakPolarHBondContact CG2-O 3.47Å; T145-Q195 PolarHBondContact OG1-N 2.85Å; Q195-T197 VanDerWaalsContact C-N 3.27Å; Q195-T197 PolarHBondContact O-N 3.29Å
196	K	73.6	Confident	74.7	Confident	97 Å²	97	73.4 Å²	73.4	42%	0.422	39%	0.393	S	S	.	.			trans	-69.3	91.8	173.7	-62.8	-176.1	-179.3	176.7	0	107.3	D147 P148 C150 A194	D147-K196 PolarHBondContact O-NZ 3.02Å; P148-K196 PolarHBondContact O-NZ 2.86Å; C150-K196 WeakPolarHBondContact O-CE 3.45Å; C150-K196 PolarHBondContact O-NZ 3.46Å; A194-K196 HydrophobicContact CB-CG 4.12Å; A194-K196 PolarHBondContact O-N 2.79Å; A194-K196 VanDerWaalsContact O-N 3.11Å
197	T	57.9	Low	74.3	Confident	87 Å²	87	71.3 Å²	71.3	53%	0.534	39%	0.386	S	S	.	.			trans	-53.8	157.4	154.7	34.1	0	0	0	0	107.4	Q195 Q199	Q195-T197 VanDerWaalsContact C-N 3.27Å; Q195-T197 PolarHBondContact O-N 3.29Å; T197-Q199 PolarHBondContact O-N 2.02Å
198	Q	52.7	Low	73.8	Confident	151 Å²	151	77 Å²	77	71%	0.706	40%	0.4	S	S	*	.	S	Bend	trans	-64.4	47.4	173.2	-66.5	174.4	-24.6	0	0	111.5	T200	Q198-T200 PolarHBondContact O-N 3.35Å
199	Q	44.1	Very low	73.3	Confident	150 Å²	150	78.7 Å²	78.7	70%	0.701	41%	0.408	S	S	*	.			trans	-72.9	79.8	159.4	-72.7	179.5	4.3	0	0	105.8	T197 Q201	T197-Q199 PolarHBondContact O-N 2.02Å; Q199-Q201 PolarHBondContact O-N 2.93Å
200	T	45.2	Very low	72.9	Confident	111 Å²	111	85.6 Å²	85.6	68%	0.681	44%	0.44	S	S	*	.			trans	-49	100.6	137.4	5.7	0	0	0	0	104.9	Q198 E202	Q198-T200 PolarHBondContact O-N 3.35Å; T200-E202 PolarHBondContact O-N 3.21Å
201	Q	48.8	Very low	72.9	Confident	159 Å²	159	87.6 Å²	87.6	74%	0.743	45%	0.448	S	S	*	.			trans	-63.5	88.3	149.5	-73.9	-176.5	-10.1	0	0	103.2	Q199 L203	Q199-Q201 PolarHBondContact O-N 2.93Å; Q201-L203 VanDerWaalsContact C-N 3.28Å; Q201-L203 PolarHBondContact O-N 2.82Å
202	E	52.9	Low	72.9	Confident	145 Å²	145	90.2 Å²	90.2	68%	0.678	46%	0.46	S	S	*	.			trans	-57.1	104.4	170.2	-73.1	-169.7	158	0	0	105.3	T200 D204	T200-E202 PolarHBondContact O-N 3.21Å; E202-D204 PolarHBondContact O-N 2.59Å
203	L	59.8	Low	73.1	Confident	68 Å²	68	94.2 Å²	94.2	36%	0.356	49%	0.485	S	S	.	.			trans	-98.7	91.4	-178.7	-156.4	48.1	0	0	0	104.6	Q201 T205 F280 C281 Q282	Q201-L203 VanDerWaalsContact C-N 3.28Å; Q201-L203 PolarHBondContact O-N 2.82Å; L203-T205 PolarHBondContact O-N 2.81Å; L203-F280 HydrophobicContact CD2-CB 4.23Å; L203-F280 VanDerWaalsContact CD2-O 3.24Å; L203-F280 WeakPolarHBondContact CD2-O 3.23Å; L203-C281 VanDerWaalsContact CD2-N 3.25Å; L203-Q282 WeakPolarHBondContact O-CB 3.43Å
204	D	62.5	Low	73.4	Confident	136 Å²	136	97.9 Å²	97.9	73%	0.727	51%	0.506	S	S	*	.			trans	-59.7	-10.5	-168.8	-60.7	-28.5	0	0	0	114.2	E202 P206	E202-D204 PolarHBondContact O-N 2.59Å; D204-P206 WeakPolarHBondContact O-CD 3.37Å
205	T	78.9	Confident	73.8	Confident	96 Å²	96	98.2 Å²	98.2	59%	0.589	51%	0.506	S	S	*	.	S	Bend	trans	-94.9	114	-179.2	-51.4	0	0	0	0	110.6	L203 C281 Q282	L203-T205 PolarHBondContact O-N 2.81Å; T205-C281 WeakPolarHBondContact O-CA 3.4Å; T205-C281 VanDerWaalsContact O-CB 3.25Å; T205-C281 WeakPolarHBondContact O-CB 3.31Å; T205-Q282 PolarHBondContact O-N 3.3Å
206	P	81.1	Confident	74.3	Confident	94 Å²	94	95.9 Å²	95.9	61%	0.61	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-68.6	143.6	174.7	27.9	-33.4	0	0	0	111.1	D204 Q282	D204-P206 WeakPolarHBondContact O-CD 3.37Å; P206-Q282 WeakPolarHBondContact CA-O 3.12Å
207	C	82.9	Confident	75.2	Confident	21 Å²	21	91.3 Å²	91.3	14%	0.142	48%	0.476	C	S	.	.			trans	-68.2	132.5	174.6	-56	0	0	0	0	110.5	N209 A278 C281 Q282	C207-N209 PolarHBondContact O-N 2.95Å; C207-A278 HydrophobicContact CB-CB 4.48Å; C207-A278 WeakPolarHBondContact SG-CB 3.3Å; C207-C281 WeakPolarHBondContact CA-SG 3.36Å; C207-C281 HydrophobicContact CB-CB 3.98Å; C207-C281 WeakPolarHBondContact CB-SG 3.35Å; C207-C281 WeakPolarHBondContact SG-CB 3.18Å; C207-C281 CovalentContact SG-SG 2.02Å; C207-C281 PolarHBondContact SG-SG 2.9Å; C207-Q282 PolarHBondContact N-O 3.44Å; C207-Q282 VanDerWaalsContact SG-C 3.57Å; C207-Q282 PolarHBondContact SG-O 2.89Å
208	Q	81.4	Confident	76.5	Confident	194 Å²	194	89.4 Å²	89.4	91%	0.907	47%	0.465	S	S	*	.			trans	-79.5	98.5	162.5	-172.2	175.1	5.1	0	0	108.5	Q210	Q208-Q210 PolarHBondContact O-N 3.25Å
209	N	81.1	Confident	77.9	Confident	42 Å²	42	84.1 Å²	84.1	23%	0.225	45%	0.451	C	S	.	.			trans	-65.5	131	179.5	-69.6	-24.8	0	0	0	110.8	C207 F211 Q234 D284	C207-N209 PolarHBondContact O-N 2.95Å; N209-F211 HydrophobicContact CB-CE1 4.42Å; N209-F211 HydrophobicContact CB-CE2 4.04Å; N209-F211 HydrophobicContact CB-CZ 3.9Å; N209-Q234 PolarHBondContact OD1-NE2 3.32Å; N209-Q234 PolarHBondContact OD1-OE1 2.72Å; N209-D284 WeakPolarHBondContact ND2-CB 3.18Å
210	Q	86.2	Confident	79.7	Confident	144 Å²	144	79.1 Å²	79.1	67%	0.673	43%	0.433	S	S	*	.			trans	-123.3	104	171.9	-172.9	174.9	8.9	0	0	108.9	Q208	Q208-Q210 PolarHBondContact O-N 3.25Å
211	F	93.8	Very high	81.4	Confident	50 Å²	50	78.8 Å²	78.8	22%	0.219	43%	0.427	C	S	.	.			trans	-99.6	151.1	174.8	-57.1	-47.6	0	0	0	111	N209 P213 V230 E231 Q234 F246 T273	N209-F211 HydrophobicContact CB-CE1 4.42Å; N209-F211 HydrophobicContact CB-CE2 4.04Å; N209-F211 HydrophobicContact CB-CZ 3.9Å; F211-P213 VanDerWaalsContact O-CD 3.24Å; F211-P213 WeakPolarHBondContact O-CD 3.45Å; F211-V230 HydrophobicContact CB-CG2 4.49Å; F211-V230 HydrophobicContact CD1-CG2 3.76Å; F211-V230 HydrophobicContact CD2-CG1 3.83Å; F211-V230 HydrophobicContact CD2-CG2 4.21Å; F211-V230 HydrophobicContact CE1-CG2 3.98Å; F211-V230 HydrophobicContact CE2-CG1 3.74Å; F211-V230 HydrophobicContact CE2-CG2 4.39Å; F211-V230 HydrophobicContact CG-CG1 4.36Å; F211-V230 HydrophobicContact CG-CG2 3.9Å; F211-V230 HydrophobicContact CZ-CG1 4.2Å; F211-V230 HydrophobicContact CZ-CG2 4.29Å; F211-E231 HydrophobicContact CE2-CG 4.03Å; F211-E231 HydrophobicContact CZ-CG 4.11Å; F211-Q234 HydrophobicContact CE1-CB 4.2Å; F211-Q234 HydrophobicContact CE1-CG 4.42Å; F211-F246 HydrophobicContact CD1-CZ 4.13Å; F211-F246 AromaticContact CE1-CZ 3.93Å; F211-F246 HydrophobicContact CE1-CZ 3.93Å; F211-T273 HydrophobicContact CB-CG2 3.85Å
212	F	95	Very high	83.3	Confident	55 Å²	55	73.9 Å²	73.9	24%	0.241	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-106.3	92.7	175.8	-50.9	-72.5	0	0	0	108.3	T215 T273 S274 I276	F212-T215 HydrophobicContact CB-CG2 3.86Å; F212-T215 WeakPolarHBondContact O-CB 3.45Å; F212-T273 WeakPolarHBondContact O-CA 3.4Å; F212-S274 PolarHBondContact N-O 3.05Å; F212-S274 PolarHBondContact O-N 2.85Å; F212-I276 HydrophobicContact CE2-CD1 4.19Å; F212-I276 HydrophobicContact CE2-CG1 4.24Å; F212-I276 HydrophobicContact CZ-CD1 4.42Å
213	P	96.1	Very high	85	Confident	83 Å²	83	69.3 Å²	69.3	54%	0.539	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	152.5	179.3	29	-35.1	0	0	0	111.7	F211 T215	F211-P213 VanDerWaalsContact O-CD 3.24Å; F211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-T215 WeakPolarHBondContact O-CB 3.28Å; P213-T215 PolarHBondContact O-N 3.27Å; P213-T215 PolarHBondContact O-OG1 3.45Å
214	N	95.9	Very high	86.4	Confident	83 Å²	83	71.2 Å²	71.2	44%	0.444	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.4	-179.3	-59.5	-42.6	0	0	0	113.2	K269 G271 I272	N214-K269 CarbonylContact C-O 3.52Å; N214-K269 VanDerWaalsContact CA-O 3.24Å; N214-K269 WeakPolarHBondContact CA-O 3.44Å; N214-K269 CarbonylContact O-C 3.12Å; N214-K269 PolarHBondContact O-N 2.77Å; N214-G271 PolarHBondContact OD1-N 3.4Å; N214-I272 CarbonylContact C-O 3.5Å; N214-I272 WeakPolarHBondContact CA-O 3.27Å; N214-I272 PolarHBondContact N-O 2.64Å
215	T	95.9	Very high	87.7	Confident	23 Å²	23	67.3 Å²	67.3	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	125.5	-167.9	-66.1	0	0	0	0	110	F212 P213 V266 K267 K269 I272 S274	F212-T215 HydrophobicContact CB-CG2 3.86Å; F212-T215 WeakPolarHBondContact O-CB 3.45Å; P213-T215 WeakPolarHBondContact O-CB 3.28Å; P213-T215 PolarHBondContact O-N 3.27Å; P213-T215 PolarHBondContact O-OG1 3.45Å; T215-V266 HydrophobicContact CG2-CB 4.43Å; T215-V266 HydrophobicContact CG2-CG1 3.05Å; T215-K267 WeakPolarHBondContact CA-O 3.36Å; T215-K269 PolarHBondContact N-O 2.85Å; T215-I272 PolarHBondContact N-O 3.04Å; T215-I272 WeakPolarHBondContact O-CG2 3.23Å; T215-S274 WeakPolarHBondContact O-CB 3.38Å; T215-S274 PolarHBondContact O-N 3.36Å; T215-S274 PolarHBondContact O-OG 2.94Å
216	D	94.5	Very high	88.3	Confident	25 Å²	25	64.8 Å²	64.8	13%	0.134	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144	170.9	-177.2	29.5	0	0	0	110.6	P218 S247 K258 K267 K269 I272	D216-P218 WeakPolarHBondContact O-CD 3.3Å; D216-S247 PolarHBondContact OD1-OG 3.23Å; D216-K258 IonicContact OD1-NZ 3.51Å; D216-K258 PolarHBondContact OD1-NZ 3.29Å; D216-K267 PolarHBondContact N-O 2.88Å; D216-K267 PolarHBondContact O-N 2.92Å; D216-K269 HydrophobicContact CB-CB 3.84Å; D216-K269 HydrophobicContact CB-CD 3.82Å; D216-K269 HydrophobicContact CB-CG 4.44Å; D216-I272 HydrophobicContact CB-CG2 4.06Å
217	I	92.3	Very high	88.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.			trans	-108.3	81.1	170.7	-56.3	172.4	0	0	0	107.1	Y245 S247 K258 L264 T265 S274	I217-Y245 HydrophobicContact CB-CD2 3.94Å; I217-Y245 HydrophobicContact CB-CE2 4.02Å; I217-Y245 HydrophobicContact CD1-CD2 4.11Å; I217-Y245 HydrophobicContact CD1-CG 4.26Å; I217-Y245 HydrophobicContact CG2-CD2 3.53Å; I217-Y245 HydrophobicContact CG2-CE1 4.49Å; I217-Y245 HydrophobicContact CG2-CE2 3.28Å; I217-Y245 HydrophobicContact CG2-CG 4.25Å; I217-S247 PolarHBondContact N-OG 3.34Å; I217-K258 VanDerWaalsContact O-CD 3.24Å; I217-K258 WeakPolarHBondContact O-CD 3.42Å; I217-K258 WeakPolarHBondContact O-CE 3.16Å; I217-K258 PolarHBondContact O-NZ 2.9Å; I217-L264 HydrophobicContact CD1-CD1 4.27Å; I217-L264 HydrophobicContact CD1-CD2 4.04Å; I217-L264 HydrophobicContact CD1-CG 4.25Å; I217-L264 HydrophobicContact CG1-CD2 4.35Å; I217-L264 HydrophobicContact CG2-CD2 4.22Å; I217-L264 HydrophobicContact CG2-CG 3.97Å; I217-T265 WeakPolarHBondContact CA-O 3.27Å; I217-T265 WeakPolarHBondContact CG2-O 3.47Å; I217-S274 PolarHBondContact N-OG 3.38Å
218	P	85.9	Confident	89.3	Confident	47 Å²	47	59.7 Å²	59.7	31%	0.305	32%	0.316	S	S	.	.			trans	-66.6	153.5	-167.3	27.5	-38.2	0	0	0	113.6	D216 T265 K267	D216-P218 WeakPolarHBondContact O-CD 3.3Å; P218-T265 WeakPolarHBondContact CD-O 3.24Å; P218-K267 HydrophobicContact CG-CD 3.9Å; P218-K267 HydrophobicContact CG-CG 4.01Å
219	G	80.8	Confident	89.8	Confident	40 Å²	40	51 Å²	51	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	80.1	177	176	0	0	0	0	0	114.1	N221	G219-N221 VanDerWaalsContact C-N 3.28Å; G219-N221 PolarHBondContact O-N 2.82Å
220	S	82.9	Confident	90.4	Very high	46 Å²	46	49.9 Å²	49.9	32%	0.322	27%	0.271	S	S	.	.			trans	60.5	32.1	178.4	-40.1	0	0	0	0	114.7	L222 Y245 K258 N259 N260	S220-L222 PolarHBondContact O-N 3.43Å; S220-L222 VanDerWaalsContact O-N 3.17Å; S220-Y245 WeakPolarHBondContact CB-OH 3.48Å; S220-Y245 PolarHBondContact OG-OH 2.65Å; S220-K258 CarbonylContact O-C 3.56Å; S220-K258 WeakPolarHBondContact O-CA 3.24Å; S220-K258 WeakPolarHBondContact O-CB 3.32Å; S220-N259 WeakPolarHBondContact CB-O 3.45Å; S220-N259 PolarHBondContact O-N 2.93Å; S220-N260 PolarHBondContact OG-ND2 3Å
221	N	81.2	Confident	90.7	Very high	103 Å²	103	45.3 Å²	45.3	55%	0.551	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	118.9	177.2	-66	-21.9	0	0	0	109.8	G219 K258	G219-N221 VanDerWaalsContact C-N 3.28Å; G219-N221 PolarHBondContact O-N 2.82Å; N221-K258 WeakPolarHBondContact OD1-CE 3.24Å
222	L	87.3	Confident	90.6	Very high	57 Å²	57	43 Å²	43	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-53.1	171.5	169.4	71.8	0	0	0	108.6	S220 H240 K242 C243 L257 N259	S220-L222 PolarHBondContact O-N 3.43Å; S220-L222 VanDerWaalsContact O-N 3.17Å; L222-H240 WeakPolarHBondContact CD2-CE1 3.36Å; L222-H240 WeakPolarHBondContact CD2-ND1 3.23Å; L222-K242 HydrophobicContact CD1-CB 4.37Å; L222-K242 HydrophobicContact CD1-CD 4.39Å; L222-K242 HydrophobicContact CD2-CB 4.33Å; L222-C243 HydrophobicContact CD2-CB 4.45Å; L222-L257 WeakPolarHBondContact CB-O 3.48Å; L222-L257 HydrophobicContact CD2-CB 4.34Å; L222-L257 PolarHBondContact N-O 2.75Å; L222-N259 HydrophobicContact CB-CB 4.26Å
223	E	89.3	Confident	90.5	Very high	49 Å²	49	40.4 Å²	40.4	23%	0.229	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-179	176	65.5	-171.1	136.8	0	0	110.2	W175 Q225 H240 L257	W175-E223 WeakPolarHBondContact CZ2-OE1 3.41Å; W175-E223 PolarHBondContact NE1-OE1 3.41Å; W175-E223 PolarHBondContact NE1-OE2 3.39Å; E223-Q225 PolarHBondContact OE2-NE2 2.71Å; E223-H240 IonicContact OE1-CD2 2.65Å; E223-H240 PolarHBondContact OE1-CD2 3.43Å; E223-H240 IonicContact OE1-CG 3.7Å; E223-H240 IonicContact OE1-NE2 3.17Å; E223-H240 PolarHBondContact OE1-NE2 3.13Å; E223-L257 HydrophobicContact CG-CB 4.17Å; E223-L257 HydrophobicContact CG-CD1 4.08Å; E223-L257 HydrophobicContact CG-CG 4.44Å; E223-L257 PolarHBondContact N-O 2.93Å; E223-L257 PolarHBondContact O-N 3Å; E223-L257 VanDerWaalsContact O-O 3.08Å
224	H	89.5	Confident	90.4	Very high	108 Å²	108	36.9 Å²	36.9	50%	0.5	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152	172.1	60.5	-80.1	0	0	0	110.5	E254 C255 Y256	H224-E254 IonicContact CD2-OE2 2.89Å; H224-E254 PolarHBondContact CD2-OE2 3.25Å; H224-E254 VanDerWaalsContact CD2-OE2 3.29Å; H224-E254 IonicContact CG-OE2 2.82Å; H224-C255 CarbonylContact C-O 3.57Å; H224-C255 VanDerWaalsContact CA-O 3.24Å; H224-C255 WeakPolarHBondContact CA-O 3.24Å; H224-Y256 HydrophobicContact CB-CD1 3.81Å; H224-Y256 HydrophobicContact CB-CE1 4.11Å; H224-Y256 HydrophobicContact CB-CG 4.5Å
225	Q	89.5	Confident	90	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.2	178	-63	-60.6	-24.5	0	0	109	E223 L236 C255	E223-Q225 PolarHBondContact OE2-NE2 2.71Å; Q225-L236 HydrophobicContact CB-CD1 3.82Å; Q225-C255 PolarHBondContact N-O 2.7Å; Q225-C255 WeakPolarHBondContact O-CA 3.05Å; Q225-C255 VanDerWaalsContact O-CB 3.31Å; Q225-C255 WeakPolarHBondContact O-CB 3.48Å; Q225-C255 PolarHBondContact O-N 3.19Å
226	K	91.6	Very high	89.8	Confident	43 Å²	43	33.3 Å²	33.3	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.4	168.1	-70.1	-58.1	-165.7	-175.3	0	110.4	D252 F253 E254 V356	K226-D252 PolarHBondContact NZ-O 3.41Å; K226-F253 WeakPolarHBondContact CA-O 3.16Å; K226-E254 WeakPolarHBondContact CE-OE1 3.25Å; K226-E254 IonicContact NZ-OE1 2.73Å; K226-E254 PolarHBondContact NZ-OE1 3.43Å; K226-V356 HydrophobicContact CB-CB 4.45Å; K226-V356 HydrophobicContact CB-CG2 4.01Å
227	S	92.2	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.			trans	-138.5	144.1	177	-167.5	0	0	0	0	110.8	S229 H232 C233 F248 F253	S227-S229 PolarHBondContact OG-O 3.46Å; S227-H232 VanDerWaalsContact OG-C 3.29Å; S227-H232 VanDerWaalsContact OG-CB 3.27Å; S227-H232 WeakPolarHBondContact OG-CB 3.38Å; S227-H232 VanDerWaalsContact OG-CG 3.3Å; S227-H232 PolarHBondContact OG-ND1 3.19Å; S227-C233 WeakPolarHBondContact OG-CA 3.23Å; S227-C233 PolarHBondContact OG-N 3.48Å; S227-F248 WeakPolarHBondContact O-CE2 3.49Å; S227-F253 PolarHBondContact N-O 2.95Å; S227-F253 VanDerWaalsContact O-CB 3.25Å; S227-F253 WeakPolarHBondContact O-CB 3.18Å; S227-F253 WeakPolarHBondContact O-CD1 2.99Å
228	V	92.2	Very high	89.5	Confident	8 Å²	8	33.6 Å²	33.6	5%	0.048	19%	0.189	C	C	.	.	S	Bend	trans	-87.7	-18.3	-174	-57.5	0	0	0	0	111.7	H232 W287 Y292 F297 P353 V356 F366	V228-H232 HydrophobicContact CG2-CB 3.89Å; V228-H232 PolarHBondContact N-ND1 2.65Å; V228-W287 HydrophobicContact CG2-CE3 4.35Å; V228-Y292 HydrophobicContact CB-CD1 4.26Å; V228-Y292 HydrophobicContact CB-CE1 3.82Å; V228-Y292 HydrophobicContact CG2-CE1 3.74Å; V228-Y292 HydrophobicContact CG2-CE2 4.11Å; V228-Y292 VanDerWaalsContact CG2-CZ 3.46Å; V228-Y292 VanDerWaalsContact CG2-OH 3.3Å; V228-Y292 WeakPolarHBondContact CG2-OH 3.01Å; V228-F297 HydrophobicContact CB-CE1 4.29Å; V228-F297 HydrophobicContact CB-CZ 4.3Å; V228-F297 HydrophobicContact CG1-CD1 4.23Å; V228-F297 HydrophobicContact CG1-CE1 3.32Å; V228-F297 HydrophobicContact CG1-CE2 4.42Å; V228-F297 HydrophobicContact CG1-CZ 3.45Å; V228-F297 VanDerWaalsContact CG1-CZ 3.45Å; V228-P353 HydrophobicContact CG1-CG 4.39Å; V228-V356 HydrophobicContact CG1-CG1 4.07Å; V228-V356 HydrophobicContact CG1-CG2 3.84Å; V228-F366 HydrophobicContact CG1-CE2 4.17Å; V228-F366 HydrophobicContact CG1-CZ 4.1Å; V228-F366 HydrophobicContact CG2-CE2 3.87Å; V228-F366 HydrophobicContact CG2-CZ 4.26Å
229	S	93	Very high	89.5	Confident	12 Å²	12	32.8 Å²	32.8	8%	0.084	19%	0.186	C	C	.	.	S	Bend	trans	-158.4	170.5	-177	85.4	0	0	0	0	110.8	S227 E231 H232 C233	S227-S229 PolarHBondContact OG-O 3.46Å; S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 WeakPolarHBondContact CB-OE2 3.05Å; S229-E231 PolarHBondContact OG-N 2.05Å; S229-E231 PolarHBondContact OG-OE2 2.87Å; S229-H232 PolarHBondContact O-N 3.18Å; S229-H232 PolarHBondContact OG-N 3.42Å; S229-H232 VanDerWaalsContact OG-N 3.07Å; S229-C233 PolarHBondContact O-N 3.15Å
230	V	94.2	Very high	89.9	Confident	17 Å²	17	31.8 Å²	31.8	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-35.7	175.3	63.9	0	0	0	0	111.5	F211 C233 Q234 F246 F248 T273	F211-V230 HydrophobicContact CB-CG2 4.49Å; F211-V230 HydrophobicContact CD1-CG2 3.76Å; F211-V230 HydrophobicContact CD2-CG1 3.83Å; F211-V230 HydrophobicContact CD2-CG2 4.21Å; F211-V230 HydrophobicContact CE1-CG2 3.98Å; F211-V230 HydrophobicContact CE2-CG1 3.74Å; F211-V230 HydrophobicContact CE2-CG2 4.39Å; F211-V230 HydrophobicContact CG-CG1 4.36Å; F211-V230 HydrophobicContact CG-CG2 3.9Å; F211-V230 HydrophobicContact CZ-CG1 4.2Å; F211-V230 HydrophobicContact CZ-CG2 4.29Å; V230-C233 WeakPolarHBondContact O-CB 3.03Å; V230-C233 PolarHBondContact O-N 3.27Å; V230-Q234 PolarHBondContact O-N 2.89Å; V230-F246 HydrophobicContact CG2-CE2 3.73Å; V230-F246 HydrophobicContact CG2-CZ 4.12Å; V230-F248 HydrophobicContact CB-CD1 3.97Å; V230-F248 HydrophobicContact CB-CG 4.45Å; V230-F248 HydrophobicContact CG2-CB 4.45Å; V230-T273 HydrophobicContact CB-CG2 4.27Å; V230-T273 HydrophobicContact CG2-CG2 3.55Å
231	E	91.9	Very high	90.2	Very high	48 Å²	48	31.7 Å²	31.7	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-45.8	176.6	-57.8	73.2	-160.1	0	0	110.6	F211 S229 C233 Q234 V235 W287	F211-E231 HydrophobicContact CE2-CG 4.03Å; F211-E231 HydrophobicContact CZ-CG 4.11Å; S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 WeakPolarHBondContact CB-OE2 3.05Å; S229-E231 PolarHBondContact OG-N 2.05Å; S229-E231 PolarHBondContact OG-OE2 2.87Å; E231-C233 VanDerWaalsContact C-N 3.26Å; E231-C233 PolarHBondContact O-N 3.2Å; E231-Q234 WeakPolarHBondContact O-CB 3.48Å; E231-Q234 PolarHBondContact O-N 2.87Å; E231-Q234 VanDerWaalsContact O-N 3.13Å; E231-V235 WeakPolarHBondContact O-CG2 3.37Å; E231-V235 PolarHBondContact O-N 3.49Å; E231-W287 HydrophobicContact CB-CB 4.06Å; E231-W287 HydrophobicContact CB-CG 4.08Å
232	H	90.9	Very high	90.7	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-38.5	173.7	-179.3	-154.1	0	0	0	110.5	S227 V228 S229 Q234 V235 L236 W287	S227-H232 VanDerWaalsContact OG-C 3.29Å; S227-H232 VanDerWaalsContact OG-CB 3.27Å; S227-H232 WeakPolarHBondContact OG-CB 3.38Å; S227-H232 VanDerWaalsContact OG-CG 3.3Å; S227-H232 PolarHBondContact OG-ND1 3.19Å; V228-H232 HydrophobicContact CG2-CB 3.89Å; V228-H232 PolarHBondContact N-ND1 2.65Å; S229-H232 PolarHBondContact O-N 3.18Å; S229-H232 PolarHBondContact OG-N 3.42Å; S229-H232 VanDerWaalsContact OG-N 3.07Å; H232-Q234 VanDerWaalsContact C-N 3.32Å; H232-Q234 PolarHBondContact O-N 3.04Å; H232-V235 WeakPolarHBondContact O-CB 3.42Å; H232-V235 PolarHBondContact O-N 2.64Å; H232-V235 VanDerWaalsContact O-N 3.16Å; H232-L236 WeakPolarHBondContact O-CG 3.47Å; H232-L236 PolarHBondContact O-N 3.23Å; H232-W287 HydrophobicContact CB-CD2 3.93Å; H232-W287 HydrophobicContact CB-CE3 3.77Å; H232-W287 HydrophobicContact CB-CG 4.46Å; H232-W287 HydrophobicContact CB-CZ3 4.08Å; H232-W287 AromaticContact CD2-CH2 3.55Å; H232-W287 AromaticContact CD2-CZ3 3.7Å; H232-W287 AromaticContact CG-CE3 3.98Å; H232-W287 AromaticContact CG-CZ3 3.76Å
233	C	93.6	Very high	91	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-35.5	176.1	-174.3	0	0	0	0	112.5	S227 S229 V230 E231 L236 C237 F246 F248 C255	S227-C233 WeakPolarHBondContact OG-CA 3.23Å; S227-C233 PolarHBondContact OG-N 3.48Å; S229-C233 PolarHBondContact O-N 3.15Å; V230-C233 WeakPolarHBondContact O-CB 3.03Å; V230-C233 PolarHBondContact O-N 3.27Å; E231-C233 VanDerWaalsContact C-N 3.26Å; E231-C233 PolarHBondContact O-N 3.2Å; C233-L236 PolarHBondContact O-N 2.02Å; C233-C237 PolarHBondContact O-N 2.63Å; C233-F246 HydrophobicContact CB-CD2 4Å; C233-F246 HydrophobicContact CB-CE2 4.02Å; C233-F246 WeakPolarHBondContact SG-CD2 3.35Å; C233-F248 HydrophobicContact CB-CB 4.09Å; C233-F248 HydrophobicContact CB-CD2 4.27Å; C233-F248 HydrophobicContact CB-CG 4.41Å; C233-C255 WeakPolarHBondContact CA-SG 3.24Å; C233-C255 HydrophobicContact CB-CB 3.73Å; C233-C255 WeakPolarHBondContact CB-SG 3.44Å; C233-C255 VanDerWaalsContact SG-CA 3.55Å; C233-C255 WeakPolarHBondContact SG-CB 3.31Å; C233-C255 CovalentContact SG-SG 2.02Å; C233-C255 PolarHBondContact SG-SG 3.25Å
234	Q	93.2	Very high	91.1	Very high	9 Å²	9	27 Å²	27	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-41.3	171.3	-171.1	-174.5	25.4	0	0	111.8	N209 F211 V230 E231 H232 L236 C237 S238 F246 I276 L283	N209-Q234 PolarHBondContact OD1-NE2 3.32Å; N209-Q234 PolarHBondContact OD1-OE1 2.72Å; F211-Q234 HydrophobicContact CE1-CB 4.2Å; F211-Q234 HydrophobicContact CE1-CG 4.42Å; V230-Q234 PolarHBondContact O-N 2.89Å; E231-Q234 WeakPolarHBondContact O-CB 3.48Å; E231-Q234 PolarHBondContact O-N 2.87Å; E231-Q234 VanDerWaalsContact O-N 3.13Å; H232-Q234 VanDerWaalsContact C-N 3.32Å; H232-Q234 PolarHBondContact O-N 3.04Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 2.94Å; Q234-C237 PolarHBondContact O-N 2.93Å; Q234-S238 VanDerWaalsContact O-CB 3.3Å; Q234-S238 WeakPolarHBondContact O-CB 3.45Å; Q234-S238 PolarHBondContact O-N 3.48Å; Q234-S238 PolarHBondContact O-OG 2.79Å; Q234-F246 HydrophobicContact CB-CE1 3.65Å; Q234-F246 HydrophobicContact CB-CZ 3.68Å; Q234-F246 HydrophobicContact CG-CE1 3.86Å; Q234-F246 HydrophobicContact CG-CZ 4.26Å; Q234-I276 PolarHBondContact NE2-O 3.28Å; Q234-L283 HydrophobicContact CG-CD2 3.92Å
235	V	89.1	Confident	91.4	Very high	30 Å²	30	22 Å²	22	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-45.7	174.5	173.6	0	0	0	0	110.8	E231 H232 S238 A239 L283 W287 M350	E231-V235 WeakPolarHBondContact O-CG2 3.37Å; E231-V235 PolarHBondContact O-N 3.49Å; H232-V235 WeakPolarHBondContact O-CB 3.42Å; H232-V235 PolarHBondContact O-N 2.64Å; H232-V235 VanDerWaalsContact O-N 3.16Å; V235-S238 PolarHBondContact O-N 2.9Å; V235-A239 WeakPolarHBondContact O-CB 3.06Å; V235-A239 PolarHBondContact O-N 2.99Å; V235-L283 HydrophobicContact CB-CD1 4.36Å; V235-L283 HydrophobicContact CG2-CB 4.45Å; V235-L283 HydrophobicContact CG2-CD1 3.9Å; V235-W287 HydrophobicContact CB-CZ2 4.35Å; V235-W287 HydrophobicContact CG1-CZ2 4.31Å; V235-W287 HydrophobicContact CG2-CZ2 3.87Å; V235-M350 HydrophobicContact CG1-CE 4.45Å
236	L	89.9	Confident	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.8	-54	175.1	-61.4	176.5	0	0	0	110.4	W175 Q225 H232 C233 Q234 S238 A239 H240 C255 L257 M350 A352	W175-L236 HydrophobicContact CH2-CB 4.08Å; W175-L236 HydrophobicContact CH2-CD2 4.5Å; W175-L236 VanDerWaalsContact CH2-O 3.23Å; W175-L236 WeakPolarHBondContact CH2-O 3.5Å; W175-L236 HydrophobicContact CZ3-CB 4.31Å; W175-L236 HydrophobicContact CZ3-CD2 3.93Å; Q225-L236 HydrophobicContact CB-CD1 3.82Å; H232-L236 WeakPolarHBondContact O-CG 3.47Å; H232-L236 PolarHBondContact O-N 3.23Å; C233-L236 PolarHBondContact O-N 2.02Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 2.94Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.23Å; L236-A239 PolarHBondContact O-N 3.03Å; L236-A239 VanDerWaalsContact O-N 3.14Å; L236-H240 PolarHBondContact O-N 3.16Å; L236-H240 VanDerWaalsContact O-N 3.13Å; L236-C255 HydrophobicContact CD1-CB 4.26Å; L236-L257 HydrophobicContact CB-CD2 4.32Å; L236-M350 HydrophobicContact CD2-CE 3.49Å; L236-M350 VanDerWaalsContact CD2-CE 3.49Å; L236-A352 HydrophobicContact CD2-CB 4.24Å
237	C	92	Very high	91.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-58.8	-42.1	179.4	-172	0	0	0	0	112.4	C233 Q234 A239 H240 C243 F246 L257 P277	C233-C237 PolarHBondContact O-N 2.63Å; Q234-C237 PolarHBondContact O-N 2.93Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.48Å; C237-H240 PolarHBondContact O-N 2.99Å; C237-H240 VanDerWaalsContact O-N 3.14Å; C237-C243 VanDerWaalsContact CA-SG 3.51Å; C237-C243 HydrophobicContact CB-CB 4.05Å; C237-C243 WeakPolarHBondContact CB-SG 3.2Å; C237-C243 VanDerWaalsContact O-CB 3.24Å; C237-C243 WeakPolarHBondContact O-CB 3.48Å; C237-C243 WeakPolarHBondContact SG-CB 3.2Å; C237-C243 CovalentContact SG-SG 2.04Å; C237-C243 PolarHBondContact SG-SG 2.98Å; C237-F246 HydrophobicContact CB-CB 4.11Å; C237-F246 HydrophobicContact CB-CD1 3.73Å; C237-F246 HydrophobicContact CB-CG 4.25Å; C237-L257 HydrophobicContact CB-CD2 3.69Å; C237-P277 HydrophobicContact CB-CB 4.33Å; C237-P277 VanDerWaalsContact SG-CD 3.58Å
238	S	88.9	Confident	92.1	Very high	31 Å²	31	18 Å²	18	22%	0.217	10%	0.103	C	C	.	.	H	α-helix	trans	-66.9	-29.3	-179.8	-50.6	0	0	0	0	112.7	Q234 V235 L236 P277 A278	Q234-S238 VanDerWaalsContact O-CB 3.3Å; Q234-S238 WeakPolarHBondContact O-CB 3.45Å; Q234-S238 PolarHBondContact O-N 3.48Å; Q234-S238 PolarHBondContact O-OG 2.79Å; V235-S238 PolarHBondContact O-N 2.9Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.23Å; S238-P277 WeakPolarHBondContact OG-CA 3.35Å; S238-A278 PolarHBondContact OG-N 2.64Å
239	A	85.8	Confident	92.3	Very high	29 Å²	29	18.1 Å²	18.1	24%	0.24	10%	0.104	C	C	.	.	H	α-helix	trans	-76.2	-27.8	174.2	0	0	0	0	0	112.9	F173 W175 V235 L236 C237 P241 M350	F173-A239 VanDerWaalsContact CE2-O 3.24Å; F173-A239 WeakPolarHBondContact CE2-O 3.11Å; W175-A239 HydrophobicContact CZ3-CB 4.43Å; V235-A239 WeakPolarHBondContact O-CB 3.06Å; V235-A239 PolarHBondContact O-N 2.99Å; L236-A239 PolarHBondContact O-N 3.03Å; L236-A239 VanDerWaalsContact O-N 3.14Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.48Å; A239-P241 WeakPolarHBondContact O-CD 3.47Å; A239-M350 HydrophobicContact CB-CE 3.61Å; A239-M350 HydrophobicContact CB-SD 3.73Å
240	H	89.2	Confident	92.2	Very high	19 Å²	19	20.1 Å²	20.1	9%	0.088	12%	0.117	C	C	.	.	S	Bend	trans	-84.6	117.5	-178.2	-172.3	-68.1	0	0	0	111.6	F173 W175 L222 E223 L236 C237 K242 C243 L257	F173-H240 AromaticContact CD1-CD2 3.78Å; F173-H240 AromaticContact CD1-NE2 3.97Å; F173-H240 HydrophobicContact CE1-CB 4.36Å; F173-H240 AromaticContact CE1-CD2 3.46Å; F173-H240 VanDerWaalsContact CE1-CD2 3.46Å; F173-H240 WeakPolarHBondContact CE1-CD2 2.99Å; W175-H240 AromaticContact CE2-CD2 3.94Å; W175-H240 HydrophobicContact CH2-CB 3.83Å; W175-H240 HydrophobicContact CZ2-CB 3.66Å; W175-H240 AromaticContact CZ2-CD2 3.57Å; W175-H240 AromaticContact CZ2-CG 3.97Å; W175-H240 AromaticContact NE1-CD2 3.91Å; L222-H240 WeakPolarHBondContact CD2-CE1 3.36Å; L222-H240 WeakPolarHBondContact CD2-ND1 3.23Å; E223-H240 IonicContact OE1-CD2 2.65Å; E223-H240 PolarHBondContact OE1-CD2 3.43Å; E223-H240 IonicContact OE1-CG 3.7Å; E223-H240 IonicContact OE1-NE2 3.17Å; E223-H240 PolarHBondContact OE1-NE2 3.13Å; L236-H240 PolarHBondContact O-N 3.16Å; L236-H240 VanDerWaalsContact O-N 3.13Å; C237-H240 PolarHBondContact O-N 2.99Å; C237-H240 VanDerWaalsContact O-N 3.14Å; H240-K242 VanDerWaalsContact C-N 3.26Å; H240-K242 PolarHBondContact ND1-N 2.92Å; H240-K242 PolarHBondContact O-N 3.36Å; H240-C243 HydrophobicContact CB-CB 3.97Å; H240-C243 PolarHBondContact ND1-N 3.28Å; H240-C243 WeakPolarHBondContact O-CB 3.46Å; H240-C243 PolarHBondContact O-N 3.34Å; H240-L257 HydrophobicContact CB-CD1 4.26Å
241	P	90	Very high	92.1	Very high	45 Å²	45	24.4 Å²	24.4	29%	0.292	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.8	-169.7	22.2	-32.6	0	0	0	116	Y129 F173 A239	Y129-P241 HydrophobicContact CD1-CB 4.21Å; Y129-P241 HydrophobicContact CD1-CG 3.56Å; Y129-P241 HydrophobicContact CD2-CB 3.43Å; Y129-P241 VanDerWaalsContact CD2-CB 3.43Å; Y129-P241 HydrophobicContact CD2-CG 3.67Å; Y129-P241 HydrophobicContact CE1-CB 4.26Å; Y129-P241 HydrophobicContact CE1-CG 3.86Å; Y129-P241 HydrophobicContact CE2-CB 3.52Å; Y129-P241 HydrophobicContact CE2-CG 3.99Å; Y129-P241 HydrophobicContact CG-CB 3.8Å; Y129-P241 HydrophobicContact CG-CG 3.45Å; Y129-P241 VanDerWaalsContact CG-CG 3.45Å; F173-P241 HydrophobicContact CB-CG 3.74Å; F173-P241 HydrophobicContact CD1-CG 4.39Å; F173-P241 HydrophobicContact CD2-CG 4.33Å; F173-P241 VanDerWaalsContact CG-CD 3.5Å; F173-P241 HydrophobicContact CG-CG 3.9Å; A239-P241 WeakPolarHBondContact O-CD 3.47Å
242	K	91.4	Very high	92.2	Very high	77 Å²	77	25.3 Å²	25.3	34%	0.335	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.5	174	-50.8	-175.2	-178.9	171.7	0	114.4	D128 L222 H240 T244 N259	D128-K242 PolarHBondContact O-NZ 3.07Å; L222-K242 HydrophobicContact CD1-CB 4.37Å; L222-K242 HydrophobicContact CD1-CD 4.39Å; L222-K242 HydrophobicContact CD2-CB 4.33Å; H240-K242 VanDerWaalsContact C-N 3.26Å; H240-K242 PolarHBondContact ND1-N 2.92Å; H240-K242 PolarHBondContact O-N 3.36Å; K242-T244 PolarHBondContact O-N 3.01Å; K242-N259 WeakPolarHBondContact O-CB 3.43Å; K242-N259 PolarHBondContact O-OD1 2.72Å
243	C	92.9	Very high	92.4	Very high	7 Å²	7	26 Å²	26	5%	0.047	15%	0.149	C	C	.	.			trans	-74.3	127.7	-177.7	-167.7	0	0	0	0	108.8	L222 C237 H240 Y245 K258	L222-C243 HydrophobicContact CD2-CB 4.45Å; C237-C243 VanDerWaalsContact CA-SG 3.51Å; C237-C243 HydrophobicContact CB-CB 4.05Å; C237-C243 WeakPolarHBondContact CB-SG 3.2Å; C237-C243 VanDerWaalsContact O-CB 3.24Å; C237-C243 WeakPolarHBondContact O-CB 3.48Å; C237-C243 WeakPolarHBondContact SG-CB 3.2Å; C237-C243 CovalentContact SG-SG 2.04Å; C237-C243 PolarHBondContact SG-SG 2.98Å; H240-C243 HydrophobicContact CB-CB 3.97Å; H240-C243 PolarHBondContact ND1-N 3.28Å; H240-C243 WeakPolarHBondContact O-CB 3.46Å; H240-C243 PolarHBondContact O-N 3.34Å; C243-Y245 PolarHBondContact SG-O 3.28Å; C243-K258 WeakPolarHBondContact CA-O 3.14Å
244	T	92.9	Very high	92.4	Very high	25 Å²	25	27.2 Å²	27.2	15%	0.153	16%	0.155	C	C	.	.			trans	-108.7	-24.4	178.8	57.1	0	0	0	0	111.9	K242 K258 N259 N260 L261 P277	K242-T244 PolarHBondContact O-N 3.01Å; T244-K258 PolarHBondContact N-O 3.19Å; T244-K258 PolarHBondContact OG1-O 3.36Å; T244-N259 WeakPolarHBondContact OG1-CA 3.34Å; T244-N260 PolarHBondContact OG1-N 2.87Å; T244-N260 PolarHBondContact OG1-O 2.81Å; T244-L261 HydrophobicContact CG2-CD2 3.64Å; T244-L261 HydrophobicContact CG2-CG 3.94Å; T244-P277 VanDerWaalsContact O-CD 3.25Å; T244-P277 WeakPolarHBondContact O-CD 3.49Å
245	Y	93.9	Very high	92.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	167.3	175.1	49	-96.5	0	0	0	109.3	I217 S220 C243 K258 N260 L264 G275	I217-Y245 HydrophobicContact CB-CD2 3.94Å; I217-Y245 HydrophobicContact CB-CE2 4.02Å; I217-Y245 HydrophobicContact CD1-CD2 4.11Å; I217-Y245 HydrophobicContact CD1-CG 4.26Å; I217-Y245 HydrophobicContact CG2-CD2 3.53Å; I217-Y245 HydrophobicContact CG2-CE1 4.49Å; I217-Y245 HydrophobicContact CG2-CE2 3.28Å; I217-Y245 HydrophobicContact CG2-CG 4.25Å; S220-Y245 WeakPolarHBondContact CB-OH 3.48Å; S220-Y245 PolarHBondContact OG-OH 2.65Å; C243-Y245 PolarHBondContact SG-O 3.28Å; Y245-K258 HydrophobicContact CD2-CB 3.49Å; Y245-K258 VanDerWaalsContact CD2-CB 3.49Å; Y245-K258 HydrophobicContact CD2-CD 3.8Å; Y245-K258 HydrophobicContact CD2-CG 4.19Å; Y245-K258 HydrophobicContact CE2-CB 3.25Å; Y245-K258 HydrophobicContact CE2-CD 3.55Å; Y245-K258 HydrophobicContact CE2-CG 3.99Å; Y245-K258 HydrophobicContact CG-CB 4.4Å; Y245-K258 PolarHBondContact N-O 3.41Å; Y245-K258 WeakPolarHBondContact O-CA 3.4Å; Y245-K258 WeakPolarHBondContact O-CB 3.35Å; Y245-K258 PolarHBondContact O-N 2.9Å; Y245-N260 HydrophobicContact CE1-CB 3.92Å; Y245-N260 VanDerWaalsContact OH-CB 3.26Å; Y245-N260 WeakPolarHBondContact OH-CB 3.41Å; Y245-L264 HydrophobicContact CD1-CD1 3.84Å; Y245-L264 HydrophobicContact CD1-CG 4.29Å; Y245-L264 HydrophobicContact CE1-CD1 4.42Å; Y245-L264 HydrophobicContact CE1-CG 4.44Å; Y245-L264 HydrophobicContact CG-CD1 4.25Å; Y245-G275 CarbonylContact C-O 3.52Å; Y245-G275 WeakPolarHBondContact CA-O 3.45Å; Y245-G275 WeakPolarHBondContact CB-O 3.49Å
246	F	95.7	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.9	179.8	66.8	-91.6	0	0	0	111.7	F211 V230 C233 Q234 C237 Y256 L257 S274 G275	F211-F246 HydrophobicContact CD1-CZ 4.13Å; F211-F246 AromaticContact CE1-CZ 3.93Å; F211-F246 HydrophobicContact CE1-CZ 3.93Å; V230-F246 HydrophobicContact CG2-CE2 3.73Å; V230-F246 HydrophobicContact CG2-CZ 4.12Å; C233-F246 HydrophobicContact CB-CD2 4Å; C233-F246 HydrophobicContact CB-CE2 4.02Å; C233-F246 WeakPolarHBondContact SG-CD2 3.35Å; Q234-F246 HydrophobicContact CB-CE1 3.65Å; Q234-F246 HydrophobicContact CB-CZ 3.68Å; Q234-F246 HydrophobicContact CG-CE1 3.86Å; Q234-F246 HydrophobicContact CG-CZ 4.26Å; C237-F246 HydrophobicContact CB-CB 4.11Å; C237-F246 HydrophobicContact CB-CD1 3.73Å; C237-F246 HydrophobicContact CB-CG 4.25Å; F246-Y256 CarbonylContact C-O 3.59Å; F246-Y256 WeakPolarHBondContact CA-O 3.45Å; F246-Y256 WeakPolarHBondContact CB-O 3.4Å; F246-L257 HydrophobicContact CB-CD2 4.09Å; F246-S274 VanDerWaalsContact O-CA 3.23Å; F246-S274 WeakPolarHBondContact O-CA 3.44Å; F246-S274 VanDerWaalsContact O-CB 3.28Å; F246-S274 WeakPolarHBondContact O-CB 3.47Å; F246-G275 WeakPolarHBondContact CD1-O 3.5Å; F246-G275 PolarHBondContact N-O 2.73Å; F246-G275 PolarHBondContact O-N 2.98Å
247	S	96.5	Very high	93	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.1	167.8	-59.6	0	0	0	0	109.5	D216 I217 Y256 K258 S274	D216-S247 PolarHBondContact OD1-OG 3.23Å; I217-S247 PolarHBondContact N-OG 3.34Å; S247-Y256 PolarHBondContact N-O 2.94Å; S247-Y256 WeakPolarHBondContact O-CD2 3.38Å; S247-Y256 PolarHBondContact O-N 3.14Å; S247-K258 VanDerWaalsContact CB-NZ 3.3Å; S247-K258 PolarHBondContact OG-NZ 3Å; S247-S274 WeakPolarHBondContact CB-OG 3.46Å; S247-S274 PolarHBondContact OG-OG 3.3Å
248	F	96.8	Very high	93.1	Very high	13 Å²	13	28.8 Å²	28.8	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	178.9	171.9	-111.1	0	0	0	110.4	S227 V230 C233 F253 E254 I272 T273	S227-F248 WeakPolarHBondContact O-CE2 3.49Å; V230-F248 HydrophobicContact CB-CD1 3.97Å; V230-F248 HydrophobicContact CB-CG 4.45Å; V230-F248 HydrophobicContact CG2-CB 4.45Å; C233-F248 HydrophobicContact CB-CB 4.09Å; C233-F248 HydrophobicContact CB-CD2 4.27Å; C233-F248 HydrophobicContact CB-CG 4.41Å; F248-F253 HydrophobicContact CZ-CD1 4.3Å; F248-E254 CarbonylContact C-O 3Å; F248-E254 WeakPolarHBondContact CA-O 3.08Å; F248-E254 WeakPolarHBondContact CD2-O 3.25Å; F248-I272 CarbonylContact O-C 3.49Å; F248-I272 VanDerWaalsContact O-CA 3.32Å; F248-I272 WeakPolarHBondContact O-CA 3.25Å; F248-T273 WeakPolarHBondContact CB-O 3.15Å; F248-T273 PolarHBondContact N-O 2.88Å; F248-T273 PolarHBondContact O-N 3.23Å
249	S	95.9	Very high	93.2	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.2	175.3	172.4	0	0	0	0	109.8	D251 D252 F253 E254	S249-D251 PolarHBondContact O-N 3.37Å; S249-D252 WeakPolarHBondContact CB-OD1 3.33Å; S249-D252 PolarHBondContact OG-OD1 2.98Å; S249-F253 VanDerWaalsContact O-CA 3.24Å; S249-F253 WeakPolarHBondContact O-CA 3.41Å; S249-F253 PolarHBondContact O-N 3.2Å; S249-E254 PolarHBondContact N-O 3.26Å; S249-E254 PolarHBondContact O-N 3.37Å
250	S	91.4	Very high	93.4	Very high	53 Å²	53	30.4 Å²	30.4	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.6	-179.8	55.9	0	0	0	0	113.7	G271	S250-G271 PolarHBondContact N-O 3.19Å; S250-G271 PolarHBondContact OG-O 3Å
251	D	91.9	Very high	93.3	Very high	107 Å²	107	36.8 Å²	36.8	57%	0.572	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-42.9	-176.9	-74.8	-25.8	0	0	0	112.6	S249 K358	S249-D251 PolarHBondContact O-N 3.37Å; D251-K358 IonicContact OD1-NZ 3.73Å
252	D	93.4	Very high	93.2	Very high	68 Å²	68	42 Å²	42	36%	0.364	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	5.1	-176.1	62.2	-0.6	0	0	0	113.4	K226 S249 E254	K226-D252 PolarHBondContact NZ-O 3.41Å; S249-D252 WeakPolarHBondContact CB-OD1 3.33Å; S249-D252 PolarHBondContact OG-OD1 2.98Å; D252-E254 HydrophobicContact CB-CG 4.42Å; D252-E254 PolarHBondContact O-N 3.19Å; D252-E254 WeakPolarHBondContact OD1-CB 3.33Å; D252-E254 PolarHBondContact OD1-N 3.03Å; D252-E254 WeakPolarHBondContact OD2-CG 3.38Å
253	F	95.1	Very high	92.9	Very high	17 Å²	17	42.6 Å²	42.6	8%	0.075	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	25.7	178.6	-62.5	-78	0	0	0	113.8	K226 S227 F248 S249 V295 V356 K358	K226-F253 WeakPolarHBondContact CA-O 3.16Å; S227-F253 PolarHBondContact N-O 2.95Å; S227-F253 VanDerWaalsContact O-CB 3.25Å; S227-F253 WeakPolarHBondContact O-CB 3.18Å; S227-F253 WeakPolarHBondContact O-CD1 2.99Å; F248-F253 HydrophobicContact CZ-CD1 4.3Å; S249-F253 VanDerWaalsContact O-CA 3.24Å; S249-F253 WeakPolarHBondContact O-CA 3.41Å; S249-F253 PolarHBondContact O-N 3.2Å; F253-V295 HydrophobicContact CE1-CG1 4.48Å; F253-V295 HydrophobicContact CE2-CG1 4.41Å; F253-V295 HydrophobicContact CZ-CG1 4.05Å; F253-V295 HydrophobicContact CZ-CG2 3.93Å; F253-V356 HydrophobicContact CB-CB 3.84Å; F253-V356 HydrophobicContact CB-CG1 3.88Å; F253-V356 HydrophobicContact CD1-CG1 3.72Å; F253-V356 HydrophobicContact CD2-CB 4.32Å; F253-V356 HydrophobicContact CD2-CG1 3.77Å; F253-V356 HydrophobicContact CE1-CG1 4.13Å; F253-V356 HydrophobicContact CE2-CG1 4.15Å; F253-V356 HydrophobicContact CG-CB 4.04Å; F253-V356 HydrophobicContact CG-CG1 3.51Å; F253-V356 HydrophobicContact CZ-CG1 4.33Å; F253-K358 HydrophobicContact CE2-CG 3.68Å; F253-K358 HydrophobicContact CZ-CG 4.15Å
254	E	94.8	Very high	92.7	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	177	-71.3	-64.7	159.3	0	0	111.8	H224 K226 F248 S249 D252 Y256	H224-E254 IonicContact CD2-OE2 2.89Å; H224-E254 PolarHBondContact CD2-OE2 3.25Å; H224-E254 VanDerWaalsContact CD2-OE2 3.29Å; H224-E254 IonicContact CG-OE2 2.82Å; K226-E254 WeakPolarHBondContact CE-OE1 3.25Å; K226-E254 IonicContact NZ-OE1 2.73Å; K226-E254 PolarHBondContact NZ-OE1 3.43Å; F248-E254 CarbonylContact C-O 3Å; F248-E254 WeakPolarHBondContact CA-O 3.08Å; F248-E254 WeakPolarHBondContact CD2-O 3.25Å; S249-E254 PolarHBondContact N-O 3.26Å; S249-E254 PolarHBondContact O-N 3.37Å; D252-E254 HydrophobicContact CB-CG 4.42Å; D252-E254 PolarHBondContact O-N 3.19Å; D252-E254 WeakPolarHBondContact OD1-CB 3.33Å; D252-E254 PolarHBondContact OD1-N 3.03Å; D252-E254 WeakPolarHBondContact OD2-CG 3.38Å; E254-Y256 HydrophobicContact CB-CD2 4.16Å; E254-Y256 HydrophobicContact CB-CE2 3.43Å; E254-Y256 VanDerWaalsContact CB-CE2 3.43Å; E254-Y256 HydrophobicContact CG-CE2 4.33Å
255	C	94.9	Very high	92.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	102	171.6	174.7	0	0	0	0	109	H224 Q225 C233 L236 L257	H224-C255 CarbonylContact C-O 3.57Å; H224-C255 VanDerWaalsContact CA-O 3.24Å; H224-C255 WeakPolarHBondContact CA-O 3.24Å; Q225-C255 PolarHBondContact N-O 2.7Å; Q225-C255 WeakPolarHBondContact O-CA 3.05Å; Q225-C255 VanDerWaalsContact O-CB 3.31Å; Q225-C255 WeakPolarHBondContact O-CB 3.48Å; Q225-C255 PolarHBondContact O-N 3.19Å; C233-C255 WeakPolarHBondContact CA-SG 3.24Å; C233-C255 HydrophobicContact CB-CB 3.73Å; C233-C255 WeakPolarHBondContact CB-SG 3.44Å; C233-C255 VanDerWaalsContact SG-CA 3.55Å; C233-C255 WeakPolarHBondContact SG-CB 3.31Å; C233-C255 CovalentContact SG-SG 2.02Å; C233-C255 PolarHBondContact SG-SG 3.25Å; L236-C255 HydrophobicContact CD1-CB 4.26Å; C255-L257 PolarHBondContact O-N 3.37Å; C255-L257 VanDerWaalsContact SG-CD2 3.56Å
256	Y	95	Very high	92.5	Very high	69 Å²	69	51.8 Å²	51.8	27%	0.271	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110.4	177.9	-61.4	-84.1	0	0	0	109.5	H224 F246 S247 E254	H224-Y256 HydrophobicContact CB-CD1 3.81Å; H224-Y256 HydrophobicContact CB-CE1 4.11Å; H224-Y256 HydrophobicContact CB-CG 4.5Å; F246-Y256 CarbonylContact C-O 3.59Å; F246-Y256 WeakPolarHBondContact CA-O 3.45Å; F246-Y256 WeakPolarHBondContact CB-O 3.4Å; S247-Y256 PolarHBondContact N-O 2.94Å; S247-Y256 WeakPolarHBondContact O-CD2 3.38Å; S247-Y256 PolarHBondContact O-N 3.14Å; E254-Y256 HydrophobicContact CB-CD2 4.16Å; E254-Y256 HydrophobicContact CB-CE2 3.43Å; E254-Y256 VanDerWaalsContact CB-CE2 3.43Å; E254-Y256 HydrophobicContact CG-CE2 4.33Å
257	L	94.1	Very high	92.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.6	173.7	-54.8	-173.8	0	0	0	109.1	W175 L222 E223 L236 C237 H240 F246 C255	W175-L257 HydrophobicContact CH2-CD1 3.62Å; W175-L257 HydrophobicContact CZ2-CD1 3.32Å; L222-L257 WeakPolarHBondContact CB-O 3.48Å; L222-L257 HydrophobicContact CD2-CB 4.34Å; L222-L257 PolarHBondContact N-O 2.75Å; E223-L257 HydrophobicContact CG-CB 4.17Å; E223-L257 HydrophobicContact CG-CD1 4.08Å; E223-L257 HydrophobicContact CG-CG 4.44Å; E223-L257 PolarHBondContact N-O 2.93Å; E223-L257 PolarHBondContact O-N 3Å; E223-L257 VanDerWaalsContact O-O 3.08Å; L236-L257 HydrophobicContact CB-CD2 4.32Å; C237-L257 HydrophobicContact CB-CD2 3.69Å; H240-L257 HydrophobicContact CB-CD1 4.26Å; F246-L257 HydrophobicContact CB-CD2 4.09Å; C255-L257 PolarHBondContact O-N 3.37Å; C255-L257 VanDerWaalsContact SG-CD2 3.56Å
258	K	93.6	Very high	92.4	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.017	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.5	-170.3	-57.9	175.2	-178.6	175.1	0	110.7	D216 I217 S220 N221 C243 T244 Y245 S247	D216-K258 IonicContact OD1-NZ 3.51Å; D216-K258 PolarHBondContact OD1-NZ 3.29Å; I217-K258 VanDerWaalsContact O-CD 3.24Å; I217-K258 WeakPolarHBondContact O-CD 3.42Å; I217-K258 WeakPolarHBondContact O-CE 3.16Å; I217-K258 PolarHBondContact O-NZ 2.9Å; S220-K258 CarbonylContact O-C 3.56Å; S220-K258 WeakPolarHBondContact O-CA 3.24Å; S220-K258 WeakPolarHBondContact O-CB 3.32Å; N221-K258 WeakPolarHBondContact OD1-CE 3.24Å; C243-K258 WeakPolarHBondContact CA-O 3.14Å; T244-K258 PolarHBondContact N-O 3.19Å; T244-K258 PolarHBondContact OG1-O 3.36Å; Y245-K258 HydrophobicContact CD2-CB 3.49Å; Y245-K258 VanDerWaalsContact CD2-CB 3.49Å; Y245-K258 HydrophobicContact CD2-CD 3.8Å; Y245-K258 HydrophobicContact CD2-CG 4.19Å; Y245-K258 HydrophobicContact CE2-CB 3.25Å; Y245-K258 HydrophobicContact CE2-CD 3.55Å; Y245-K258 HydrophobicContact CE2-CG 3.99Å; Y245-K258 HydrophobicContact CG-CB 4.4Å; Y245-K258 PolarHBondContact N-O 3.41Å; Y245-K258 WeakPolarHBondContact O-CA 3.4Å; Y245-K258 WeakPolarHBondContact O-CB 3.35Å; Y245-K258 PolarHBondContact O-N 2.9Å; S247-K258 VanDerWaalsContact CB-NZ 3.3Å; S247-K258 PolarHBondContact OG-NZ 3Å
259	N	92.3	Very high	92.4	Very high	63 Å²	63	67.6 Å²	67.6	34%	0.337	36%	0.361	S	S	.	.			trans	-135.5	105.3	-177.3	178	14.3	0	0	0	111.6	S220 L222 K242 T244	S220-N259 WeakPolarHBondContact CB-O 3.45Å; S220-N259 PolarHBondContact O-N 2.93Å; L222-N259 HydrophobicContact CB-CB 4.26Å; K242-N259 WeakPolarHBondContact O-CB 3.43Å; K242-N259 PolarHBondContact O-OD1 2.72Å; T244-N259 WeakPolarHBondContact OG1-CA 3.34Å
260	N	89.6	Confident	92.3	Very high	31 Å²	31	73.6 Å²	73.6	17%	0.166	39%	0.392	C	S	.	.			trans	-156.6	115.1	169.3	-170.5	-26.6	0	0	0	110.4	S220 T244 Y245 N262 N263	S220-N260 PolarHBondContact OG-ND2 3Å; T244-N260 PolarHBondContact OG1-N 2.87Å; T244-N260 PolarHBondContact OG1-O 2.81Å; Y245-N260 HydrophobicContact CE1-CB 3.92Å; Y245-N260 VanDerWaalsContact OH-CB 3.26Å; Y245-N260 WeakPolarHBondContact OH-CB 3.41Å; N260-N262 PolarHBondContact OD1-N 3.42Å; N260-N263 PolarHBondContact ND2-OD1 3.34Å; N260-N263 PolarHBondContact OD1-N 3.35Å; N260-N263 PolarHBondContact OD1-O 3.22Å
261	L	86.8	Confident	92.4	Very high	153 Å²	153	72 Å²	72	80%	0.801	38%	0.384	S	S	*	.	S	Bend	trans	-89	-14.2	178.3	-69.5	168.4	0	0	0	113.3	T244	T244-L261 HydrophobicContact CG2-CD2 3.64Å; T244-L261 HydrophobicContact CG2-CG 3.94Å
262	N	88.8	Confident	92.6	Very high	154 Å²	154	67.5 Å²	67.5	82%	0.824	36%	0.36	S	S	*	.	S	Bend	trans	-92.9	-32.6	-171.3	-64.9	-35.2	0	0	0	112.6	N260	N260-N262 PolarHBondContact OD1-N 3.42Å
263	N	85.1	Confident	92.8	Very high	90 Å²	90	65.8 Å²	65.8	48%	0.481	35%	0.352	S	S	.	.			trans	-148.4	150.4	179.1	63	56.1	0	0	0	111.9	N260	N260-N263 PolarHBondContact ND2-OD1 3.34Å; N260-N263 PolarHBondContact OD1-N 3.35Å; N260-N263 PolarHBondContact OD1-O 3.22Å
264	L	87.6	Confident	92.9	Very high	75 Å²	75	65 Å²	65	39%	0.393	35%	0.348	S	S	.	.			trans	-134.3	109.5	171.9	-171	156.8	0	0	0	106.8	I217 Y245 V266 I276	I217-L264 HydrophobicContact CD1-CD1 4.27Å; I217-L264 HydrophobicContact CD1-CD2 4.04Å; I217-L264 HydrophobicContact CD1-CG 4.25Å; I217-L264 HydrophobicContact CG1-CD2 4.35Å; I217-L264 HydrophobicContact CG2-CD2 4.22Å; I217-L264 HydrophobicContact CG2-CG 3.97Å; Y245-L264 HydrophobicContact CD1-CD1 3.84Å; Y245-L264 HydrophobicContact CD1-CG 4.29Å; Y245-L264 HydrophobicContact CE1-CD1 4.42Å; Y245-L264 HydrophobicContact CE1-CG 4.44Å; Y245-L264 HydrophobicContact CG-CD1 4.25Å; L264-V266 HydrophobicContact CD2-CG2 3.42Å; L264-V266 VanDerWaalsContact CD2-CG2 3.42Å; L264-I276 HydrophobicContact CD1-CD1 4.33Å
265	T	89.8	Confident	92.9	Very high	78 Å²	78	63.8 Å²	63.8	48%	0.479	34%	0.342	S	S	.	.			trans	-107.2	124.6	179.3	-57	0	0	0	0	109.3	I217 P218	I217-T265 WeakPolarHBondContact CA-O 3.27Å; I217-T265 WeakPolarHBondContact CG2-O 3.47Å; P218-T265 WeakPolarHBondContact CD-O 3.24Å
266	V	92.6	Very high	92.7	Very high	76 Å²	76	67.2 Å²	67.2	46%	0.461	36%	0.36	S	S	.	.			trans	-101.8	132.5	-176.8	-173.8	0	0	0	0	109.5	T215 L264	T215-V266 HydrophobicContact CG2-CB 4.43Å; T215-V266 HydrophobicContact CG2-CG1 3.05Å; L264-V266 HydrophobicContact CD2-CG2 3.42Å; L264-V266 VanDerWaalsContact CD2-CG2 3.42Å
267	K	94.5	Very high	92.5	Very high	117 Å²	117	64.4 Å²	64.4	51%	0.509	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.5	174.3	-65	-162.8	-175.4	179.5	0	111.1	T215 D216 P218 K269	T215-K267 WeakPolarHBondContact CA-O 3.36Å; D216-K267 PolarHBondContact N-O 2.88Å; D216-K267 PolarHBondContact O-N 2.92Å; P218-K267 HydrophobicContact CG-CD 3.9Å; P218-K267 HydrophobicContact CG-CG 4.01Å; K267-K269 PolarHBondContact O-N 3.46Å
268	P	96.4	Very high	92.2	Very high	125 Å²	125	65.1 Å²	65.1	81%	0.812	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	131.9	170.3	-21.5	32.8	0	0	0	110.8
269	K	95.8	Very high	91.6	Very high	105 Å²	105	70.6 Å²	70.6	46%	0.457	38%	0.381	S	S	.	.			trans	-160	109.5	174.9	-172.5	170.8	172.4	-168.9	0	110.3	N214 T215 D216 K267 I272	N214-K269 CarbonylContact C-O 3.52Å; N214-K269 VanDerWaalsContact CA-O 3.24Å; N214-K269 WeakPolarHBondContact CA-O 3.44Å; N214-K269 CarbonylContact O-C 3.12Å; N214-K269 PolarHBondContact O-N 2.77Å; T215-K269 PolarHBondContact N-O 2.85Å; D216-K269 HydrophobicContact CB-CB 3.84Å; D216-K269 HydrophobicContact CB-CD 3.82Å; D216-K269 HydrophobicContact CB-CG 4.44Å; K267-K269 PolarHBondContact O-N 3.46Å; K269-I272 HydrophobicContact CB-CB 4.49Å; K269-I272 HydrophobicContact CB-CG1 4.38Å; K269-I272 HydrophobicContact CD-CG1 3.74Å; K269-I272 HydrophobicContact CG-CB 4.44Å; K269-I272 HydrophobicContact CG-CG1 3.81Å; K269-I272 PolarHBondContact O-N 2.87Å
270	D	94.9	Very high	90.8	Very high	136 Å²	136	76.1 Å²	76.1	73%	0.727	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	145.9	178.7	-62.2	-26.9	0	0	0	111.7	I272	D270-I272 PolarHBondContact O-N 3.31Å
271	G	93.2	Very high	90.4	Very high	19 Å²	19	76.4 Å²	76.4	20%	0.196	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-2.3	-179.3	0	0	0	0	0	114.9	N214 S250	N214-G271 PolarHBondContact OD1-N 3.4Å; S250-G271 PolarHBondContact N-O 3.19Å; S250-G271 PolarHBondContact OG-O 3Å
272	I	96.7	Very high	90	Very high	13 Å²	13	73.8 Å²	73.8	7%	0.067	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.8	174.7	-54.2	-59.5	0	0	0	109.8	N214 T215 D216 F248 K269 D270	N214-I272 CarbonylContact C-O 3.5Å; N214-I272 WeakPolarHBondContact CA-O 3.27Å; N214-I272 PolarHBondContact N-O 2.64Å; T215-I272 PolarHBondContact N-O 3.04Å; T215-I272 WeakPolarHBondContact O-CG2 3.23Å; D216-I272 HydrophobicContact CB-CG2 4.06Å; F248-I272 CarbonylContact O-C 3.49Å; F248-I272 VanDerWaalsContact O-CA 3.32Å; F248-I272 WeakPolarHBondContact O-CA 3.25Å; K269-I272 HydrophobicContact CB-CB 4.49Å; K269-I272 HydrophobicContact CB-CG1 4.38Å; K269-I272 HydrophobicContact CD-CG1 3.74Å; K269-I272 HydrophobicContact CG-CB 4.44Å; K269-I272 HydrophobicContact CG-CG1 3.81Å; K269-I272 PolarHBondContact O-N 2.87Å; D270-I272 PolarHBondContact O-N 3.31Å
273	T	97.4	Very high	89.6	Confident	32 Å²	32	68.4 Å²	68.4	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.7	170.1	-59.8	0	0	0	0	108.7	F211 F212 V230 F248	F211-T273 HydrophobicContact CB-CG2 3.85Å; F212-T273 WeakPolarHBondContact O-CA 3.4Å; V230-T273 HydrophobicContact CB-CG2 4.27Å; V230-T273 HydrophobicContact CG2-CG2 3.55Å; F248-T273 WeakPolarHBondContact CB-O 3.15Å; F248-T273 PolarHBondContact N-O 2.88Å; F248-T273 PolarHBondContact O-N 3.23Å
274	S	96.9	Very high	89.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	162.1	177.2	-63.2	0	0	0	0	111.9	F212 T215 I217 F246 S247	F212-S274 PolarHBondContact N-O 3.05Å; F212-S274 PolarHBondContact O-N 2.85Å; T215-S274 WeakPolarHBondContact O-CB 3.38Å; T215-S274 PolarHBondContact O-N 3.36Å; T215-S274 PolarHBondContact O-OG 2.94Å; I217-S274 PolarHBondContact N-OG 3.38Å; F246-S274 VanDerWaalsContact O-CA 3.23Å; F246-S274 WeakPolarHBondContact O-CA 3.44Å; F246-S274 VanDerWaalsContact O-CB 3.28Å; F246-S274 WeakPolarHBondContact O-CB 3.47Å; S247-S274 WeakPolarHBondContact CB-OG 3.46Å; S247-S274 PolarHBondContact OG-OG 3.3Å
275	G	94.3	Very high	88.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-179.9	176.6	0	0	0	0	0	112.3	Y245 F246	Y245-G275 CarbonylContact C-O 3.52Å; Y245-G275 WeakPolarHBondContact CA-O 3.45Å; Y245-G275 WeakPolarHBondContact CB-O 3.49Å; F246-G275 WeakPolarHBondContact CD1-O 3.5Å; F246-G275 PolarHBondContact N-O 2.73Å; F246-G275 PolarHBondContact O-N 2.98Å
276	I	91.9	Very high	88.5	Confident	72 Å²	72	65.1 Å²	65.1	37%	0.369	34%	0.344	S	S	.	.			trans	-120.6	145.1	-179.7	-64.6	173.4	0	0	0	107.3	F212 Q234 L264	F212-I276 HydrophobicContact CE2-CD1 4.19Å; F212-I276 HydrophobicContact CE2-CG1 4.24Å; F212-I276 HydrophobicContact CZ-CD1 4.42Å; Q234-I276 PolarHBondContact NE2-O 3.28Å; L264-I276 HydrophobicContact CD1-CD1 4.33Å
277	P	90.8	Very high	88.3	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.058	33%	0.326	C	S	.	.			trans	-59	152	176	25.7	-35.1	0	0	0	111.6	C237 S238 T244	C237-P277 HydrophobicContact CB-CB 4.33Å; C237-P277 VanDerWaalsContact SG-CD 3.58Å; S238-P277 WeakPolarHBondContact OG-CA 3.35Å; T244-P277 VanDerWaalsContact O-CD 3.25Å; T244-P277 WeakPolarHBondContact O-CD 3.49Å
278	A	86.7	Confident	87.9	Confident	16 Å²	16	57.9 Å²	57.9	13%	0.132	31%	0.308	C	S	.	.			trans	-79.1	140.7	167.3	0	0	0	0	0	110.4	C207 S238 L283	C207-A278 HydrophobicContact CB-CB 4.48Å; C207-A278 WeakPolarHBondContact SG-CB 3.3Å; S238-A278 PolarHBondContact OG-N 2.64Å; A278-L283 HydrophobicContact CB-CD1 4.32Å; A278-L283 HydrophobicContact CB-CD2 3.33Å; A278-L283 HydrophobicContact CB-CG 3.73Å
279	H	81.4	Confident	87.5	Confident	118 Å²	118	56.5 Å²	56.5	55%	0.546	29%	0.289	S	S	.	.			trans	-130.7	132.9	171.6	-62.5	-59.5	0	0	0	108.9	C281	H279-C281 VanDerWaalsContact C-N 3.28Å; H279-C281 PolarHBondContact O-N 3.35Å
280	F	76.4	Confident	87.3	Confident	180 Å²	180	56.3 Å²	56.3	79%	0.789	29%	0.289	S	S	*	.	S	Bend	trans	55.1	38.6	173.2	-42.3	-73.6	0	0	0	114.5	L203	L203-F280 HydrophobicContact CD2-CB 4.23Å; L203-F280 VanDerWaalsContact CD2-O 3.24Å; L203-F280 WeakPolarHBondContact CD2-O 3.23Å
281	C	79.8	Confident	87.2	Confident	36 Å²	36	52.7 Å²	52.7	24%	0.243	28%	0.275	C	S	.	.	S	Bend	trans	-150	164.1	167.9	51.9	0	0	0	0	110.9	L203 T205 C207 H279	L203-C281 VanDerWaalsContact CD2-N 3.25Å; T205-C281 WeakPolarHBondContact O-CA 3.4Å; T205-C281 VanDerWaalsContact O-CB 3.25Å; T205-C281 WeakPolarHBondContact O-CB 3.31Å; C207-C281 WeakPolarHBondContact CA-SG 3.36Å; C207-C281 HydrophobicContact CB-CB 3.98Å; C207-C281 WeakPolarHBondContact CB-SG 3.35Å; C207-C281 WeakPolarHBondContact SG-CB 3.18Å; C207-C281 CovalentContact SG-SG 2.02Å; C207-C281 PolarHBondContact SG-SG 2.9Å; H279-C281 VanDerWaalsContact C-N 3.28Å; H279-C281 PolarHBondContact O-N 3.35Å
282	Q	80.1	Confident	87.3	Confident	99 Å²	99	52.4 Å²	52.4	46%	0.463	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-76.8	121.3	174.3	-179	175.8	0.8	0	0	110.3	L203 T205 P206 C207	L203-Q282 WeakPolarHBondContact O-CB 3.43Å; T205-Q282 PolarHBondContact O-N 3.3Å; P206-Q282 WeakPolarHBondContact CA-O 3.12Å; C207-Q282 PolarHBondContact N-O 3.44Å; C207-Q282 VanDerWaalsContact SG-C 3.57Å; C207-Q282 PolarHBondContact SG-O 2.89Å
283	L	80.4	Confident	87.3	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.209	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-67.4	149.6	174.8	-80.9	163.9	0	0	0	111.2	Q234 V235 A278 D285	Q234-L283 HydrophobicContact CG-CD2 3.92Å; V235-L283 HydrophobicContact CB-CD1 4.36Å; V235-L283 HydrophobicContact CG2-CB 4.45Å; V235-L283 HydrophobicContact CG2-CD1 3.9Å; A278-L283 HydrophobicContact CB-CD1 4.32Å; A278-L283 HydrophobicContact CB-CD2 3.33Å; A278-L283 HydrophobicContact CB-CG 3.73Å; L283-D285 PolarHBondContact O-N 2.81Å
284	D	76.3	Confident	87.2	Confident	59 Å²	59	57.2 Å²	57.2	32%	0.316	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-61.2	122.5	172.1	-173.2	-6.5	0	0	0	109.9	N209 T286 W287	N209-D284 WeakPolarHBondContact ND2-CB 3.18Å; D284-T286 WeakPolarHBondContact OD1-CB 3.32Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.48Å; D284-T286 PolarHBondContact OD1-N 3.07Å; D284-T286 PolarHBondContact OD1-OG1 2.99Å; D284-T286 PolarHBondContact OD2-OG1 2.82Å; D284-W287 PolarHBondContact O-NE1 3.06Å
285	D	78.9	Confident	87.1	Confident	42 Å²	42	57.9 Å²	57.9	23%	0.225	30%	0.299	C	S	.	.			trans	-100.8	2.4	-179.5	76.4	-13.1	0	0	0	112.8	L283 W287 V288 K289	L283-D285 PolarHBondContact O-N 2.81Å; D285-W287 PolarHBondContact O-N 3.44Å; D285-V288 WeakPolarHBondContact O-CB 3.08Å; D285-V288 PolarHBondContact O-N 2.89Å; D285-K289 IonicContact OD1-NZ 2.91Å; D285-K289 PolarHBondContact OD1-NZ 3.46Å; D285-K289 WeakPolarHBondContact OD2-CE 3.06Å; D285-K289 IonicContact OD2-NZ 3.89Å; D285-K289 PolarHBondContact OD2-NZ 3.24Å
286	T	83.8	Confident	87.2	Confident	74 Å²	74	58.9 Å²	58.9	45%	0.454	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-32.3	-177.6	56.6	0	0	0	0	112.5	D284 V288 K289 Q290	D284-T286 WeakPolarHBondContact OD1-CB 3.32Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.48Å; D284-T286 PolarHBondContact OD1-N 3.07Å; D284-T286 PolarHBondContact OD1-OG1 2.99Å; D284-T286 PolarHBondContact OD2-OG1 2.82Å; T286-V288 PolarHBondContact O-N 2.62Å; T286-K289 PolarHBondContact O-N 2.97Å; T286-Q290 PolarHBondContact O-N 2.8Å; T286-Q290 VanDerWaalsContact O-N 3.12Å
287	W	86.9	Confident	87.4	Confident	19 Å²	19	55.5 Å²	55.5	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-27.6	174.7	69.2	-91.9	0	0	0	112.9	V228 E231 H232 V235 D284 D285 Y292 F366	V228-W287 HydrophobicContact CG2-CE3 4.35Å; E231-W287 HydrophobicContact CB-CB 4.06Å; E231-W287 HydrophobicContact CB-CG 4.08Å; H232-W287 HydrophobicContact CB-CD2 3.93Å; H232-W287 HydrophobicContact CB-CE3 3.77Å; H232-W287 HydrophobicContact CB-CG 4.46Å; H232-W287 HydrophobicContact CB-CZ3 4.08Å; H232-W287 AromaticContact CD2-CH2 3.55Å; H232-W287 AromaticContact CD2-CZ3 3.7Å; H232-W287 AromaticContact CG-CE3 3.98Å; H232-W287 AromaticContact CG-CZ3 3.76Å; V235-W287 HydrophobicContact CB-CZ2 4.35Å; V235-W287 HydrophobicContact CG1-CZ2 4.31Å; V235-W287 HydrophobicContact CG2-CZ2 3.87Å; D284-W287 PolarHBondContact O-NE1 3.06Å; D285-W287 PolarHBondContact O-N 3.44Å; W287-Y292 PolarHBondContact O-OH 3.23Å; W287-F366 HydrophobicContact CE3-CD2 4.33Å; W287-F366 HydrophobicContact CE3-CE2 4.13Å; W287-F366 HydrophobicContact CZ3-CD1 4.41Å; W287-F366 HydrophobicContact CZ3-CD2 4.02Å; W287-F366 HydrophobicContact CZ3-CE1 4.18Å; W287-F366 AromaticContact CZ3-CE2 3.8Å; W287-F366 HydrophobicContact CZ3-CE2 3.8Å; W287-F366 HydrophobicContact CZ3-CG 4.33Å; W287-F366 AromaticContact CZ3-CZ 3.88Å; W287-F366 HydrophobicContact CZ3-CZ 3.88Å
288	V	86.8	Confident	87.4	Confident	21 Å²	21	60.4 Å²	60.4	13%	0.127	30%	0.304	C	S	.	.	H	α-helix	trans	-72.7	-37.1	175.7	-173.7	0	0	0	0	110.5	D285 T286 Q290 F366 L368	D285-V288 WeakPolarHBondContact O-CB 3.08Å; D285-V288 PolarHBondContact O-N 2.89Å; T286-V288 PolarHBondContact O-N 2.62Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-F366 HydrophobicContact CG1-CB 3.77Å; V288-L368 HydrophobicContact CG1-CD2 4.12Å; V288-L368 WeakPolarHBondContact O-CD2 3.49Å
289	K	88.3	Confident	87.6	Confident	97 Å²	97	60.8 Å²	60.8	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-77	-16.4	-178.3	-64.5	167.3	-175.2	151.9	0	112.9	D285 T286 L368	D285-K289 IonicContact OD1-NZ 2.91Å; D285-K289 PolarHBondContact OD1-NZ 3.46Å; D285-K289 WeakPolarHBondContact OD2-CE 3.06Å; D285-K289 IonicContact OD2-NZ 3.89Å; D285-K289 PolarHBondContact OD2-NZ 3.24Å; T286-K289 PolarHBondContact O-N 2.97Å; K289-L368 HydrophobicContact CG-CD2 4.25Å
290	Q	90.4	Very high	88.1	Confident	100 Å²	100	56.6 Å²	56.6	47%	0.467	29%	0.294	S	S	.	.			trans	-74.9	139.5	-178.8	179.4	168.7	-8.8	0	0	112.5	T286 V288 Y292	T286-Q290 PolarHBondContact O-N 2.8Å; T286-Q290 VanDerWaalsContact O-N 3.12Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; Q290-Y292 HydrophobicContact CB-CE2 4.22Å; Q290-Y292 HydrophobicContact CG-CE1 4.4Å; Q290-Y292 HydrophobicContact CG-CE2 4.38Å; Q290-Y292 WeakPolarHBondContact O-CD2 3.32Å; Q290-Y292 VanDerWaalsContact O-CE2 3.28Å; Q290-Y292 WeakPolarHBondContact O-CE2 3.25Å
291	S	92.9	Very high	88.8	Confident	60 Å²	60	51.1 Å²	51.1	42%	0.42	27%	0.273	S	S	.	.			trans	-86.3	137.8	163.3	59.6	0	0	0	0	110.7
292	Y	95.6	Very high	89.4	Confident	13 Å²	13	51.2 Å²	51.2	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	86.3	-177.2	-62.3	-91.3	0	0	0	109.9	V228 W287 Q290 F297 S364 F366	V228-Y292 HydrophobicContact CB-CD1 4.26Å; V228-Y292 HydrophobicContact CB-CE1 3.82Å; V228-Y292 HydrophobicContact CG2-CE1 3.74Å; V228-Y292 HydrophobicContact CG2-CE2 4.11Å; V228-Y292 VanDerWaalsContact CG2-CZ 3.46Å; V228-Y292 VanDerWaalsContact CG2-OH 3.3Å; V228-Y292 WeakPolarHBondContact CG2-OH 3.01Å; W287-Y292 PolarHBondContact O-OH 3.23Å; Q290-Y292 HydrophobicContact CB-CE2 4.22Å; Q290-Y292 HydrophobicContact CG-CE1 4.4Å; Q290-Y292 HydrophobicContact CG-CE2 4.38Å; Q290-Y292 WeakPolarHBondContact O-CD2 3.32Å; Q290-Y292 VanDerWaalsContact O-CE2 3.28Å; Q290-Y292 WeakPolarHBondContact O-CE2 3.25Å; Y292-F297 AromaticContact CD2-CZ 3.8Å; Y292-F297 HydrophobicContact CD2-CZ 3.8Å; Y292-F297 HydrophobicContact CE2-CZ 4.33Å; Y292-F297 HydrophobicContact CG-CZ 4.16Å; Y292-S364 PolarHBondContact N-O 2.75Å; Y292-S364 PolarHBondContact O-N 3.2Å; Y292-F366 HydrophobicContact CE2-CD2 4.24Å; Y292-F366 HydrophobicContact CE2-CE2 4.11Å
293	E	96.4	Very high	90	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.1	175.9	-64.3	-62.8	152	0	0	111.5	V295 V363	E293-V295 PolarHBondContact O-N 2.77Å; E293-V363 VanDerWaalsContact OE1-CG1 3.31Å; E293-V363 WeakPolarHBondContact OE1-CG1 3.37Å; E293-V363 WeakPolarHBondContact OE2-CG2 3.24Å
294	G	96	Very high	90.7	Very high	26 Å²	26	53.4 Å²	53.4	27%	0.268	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.9	19.7	179	0	0	0	0	0	114.1	K358 Q359 V362	G294-K358 WeakPolarHBondContact O-CA 3.17Å; G294-Q359 CarbonylContact C-O 3.54Å; G294-Q359 WeakPolarHBondContact CA-O 3.42Å; G294-Q359 CarbonylContact O-C 3.58Å; G294-Q359 PolarHBondContact O-N 3.24Å; G294-V362 WeakPolarHBondContact CA-O 3.47Å; G294-V362 PolarHBondContact N-O 2.98Å
295	V	96.1	Very high	91.6	Very high	14 Å²	14	53 Å²	53	9%	0.085	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.9	180	-177	0	0	0	0	109.5	F253 E293 F297 V356 N357 S364	F253-V295 HydrophobicContact CE1-CG1 4.48Å; F253-V295 HydrophobicContact CE2-CG1 4.41Å; F253-V295 HydrophobicContact CZ-CG1 4.05Å; F253-V295 HydrophobicContact CZ-CG2 3.93Å; E293-V295 PolarHBondContact O-N 2.77Å; V295-F297 HydrophobicContact CG1-CD1 4.25Å; V295-F297 HydrophobicContact CG1-CE1 3.95Å; V295-V356 HydrophobicContact CG1-CG1 3.52Å; V295-N357 WeakPolarHBondContact CA-O 3.38Å; V295-S364 VanDerWaalsContact O-CB 3.27Å; V295-S364 WeakPolarHBondContact O-CB 3.45Å; V295-S364 PolarHBondContact O-OG 2.89Å
296	D	95.9	Very high	92.5	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126	177.8	-179.3	20.2	0	0	0	110.1	R298 V356 N357 Q359 V362	D296-R298 PolarHBondContact O-N 2.89Å; D296-R298 WeakPolarHBondContact OD2-CB 3.2Å; D296-R298 IonicContact OD2-CZ 3.7Å; D296-R298 IonicContact OD2-NE 3.06Å; D296-R298 PolarHBondContact OD2-NE 3.28Å; D296-R298 IonicContact OD2-NH2 3.44Å; D296-R298 PolarHBondContact OD2-NH2 3.44Å; D296-V356 WeakPolarHBondContact O-CA 3.48Å; D296-N357 PolarHBondContact N-O 3.42Å; D296-N357 PolarHBondContact O-N 2.73Å; D296-Q359 HydrophobicContact CB-CB 3.7Å; D296-Q359 HydrophobicContact CB-CG 4.23Å; D296-V362 HydrophobicContact CB-CG2 4.01Å
297	F	95.1	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	81.5	166.5	-66.7	-3.1	0	0	0	108.1	V228 Y292 V295 F325 T327 K345 P353 I355 V356 S364 F366	V228-F297 HydrophobicContact CB-CE1 4.29Å; V228-F297 HydrophobicContact CB-CZ 4.3Å; V228-F297 HydrophobicContact CG1-CD1 4.23Å; V228-F297 HydrophobicContact CG1-CE1 3.32Å; V228-F297 HydrophobicContact CG1-CE2 4.42Å; V228-F297 HydrophobicContact CG1-CZ 3.45Å; V228-F297 VanDerWaalsContact CG1-CZ 3.45Å; Y292-F297 AromaticContact CD2-CZ 3.8Å; Y292-F297 HydrophobicContact CD2-CZ 3.8Å; Y292-F297 HydrophobicContact CE2-CZ 4.33Å; Y292-F297 HydrophobicContact CG-CZ 4.16Å; V295-F297 HydrophobicContact CG1-CD1 4.25Å; V295-F297 HydrophobicContact CG1-CE1 3.95Å; F297-F325 HydrophobicContact CB-CD2 3.97Å; F297-F325 HydrophobicContact CB-CE2 4.18Å; F297-F325 HydrophobicContact CD2-CB 4.03Å; F297-F325 AromaticContact CD2-CD2 3.82Å; F297-F325 HydrophobicContact CD2-CD2 3.82Å; F297-F325 HydrophobicContact CD2-CG 4.21Å; F297-F325 HydrophobicContact CE2-CB 4.39Å; F297-F325 HydrophobicContact CG-CD2 4.37Å; F297-T327 PolarHBondContact N-OG1 3.03Å; F297-K345 HydrophobicContact CB-CD 4.45Å; F297-K345 VanDerWaalsContact O-CD 3.31Å; F297-K345 WeakPolarHBondContact O-CD 3.19Å; F297-K345 WeakPolarHBondContact O-CE 3.3Å; F297-K345 PolarHBondContact O-NZ 3.21Å; F297-P353 HydrophobicContact CB-CB 3.9Å; F297-P353 HydrophobicContact CB-CG 4.2Å; F297-P353 HydrophobicContact CD1-CB 4.25Å; F297-P353 HydrophobicContact CD1-CG 4.05Å; F297-P353 HydrophobicContact CD2-CB 4.3Å; F297-P353 HydrophobicContact CD2-CG 3.65Å; F297-P353 HydrophobicContact CE1-CG 4.41Å; F297-P353 HydrophobicContact CE2-CG 4.02Å; F297-P353 HydrophobicContact CG-CB 3.88Å; F297-P353 HydrophobicContact CG-CG 3.68Å; F297-P353 HydrophobicContact CZ-CG 4.41Å; F297-I355 CarbonylContact C-O 3.58Å; F297-I355 WeakPolarHBondContact CA-O 3.46Å; F297-V356 HydrophobicContact CD1-CG1 4.25Å; F297-V356 HydrophobicContact CD1-CG2 4.2Å; F297-V356 HydrophobicContact CE1-CG1 4.21Å; F297-V356 HydrophobicContact CE1-CG2 4.49Å; F297-S364 PolarHBondContact N-OG 3.31Å; F297-F366 HydrophobicContact CE2-CD2 4.11Å; F297-F366 HydrophobicContact CE2-CE1 4.49Å; F297-F366 AromaticContact CE2-CE2 3.63Å; F297-F366 HydrophobicContact CE2-CE2 3.63Å; F297-F366 AromaticContact CE2-CZ 3.86Å; F297-F366 HydrophobicContact CE2-CZ 3.86Å; F297-F366 HydrophobicContact CZ-CD2 4.48Å; F297-F366 AromaticContact CZ-CE2 3.75Å; F297-F366 HydrophobicContact CZ-CE2 3.75Å; F297-F366 HydrophobicContact CZ-CZ 4.14Å
298	R	91.8	Very high	93.5	Very high	112 Å²	112	57.8 Å²	57.8	42%	0.423	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.4	-166.4	-173.7	175.7	-63.8	176.7	-1	112.9	D296 P354 I355 N357	D296-R298 PolarHBondContact O-N 2.89Å; D296-R298 WeakPolarHBondContact OD2-CB 3.2Å; D296-R298 IonicContact OD2-CZ 3.7Å; D296-R298 IonicContact OD2-NE 3.06Å; D296-R298 PolarHBondContact OD2-NE 3.28Å; D296-R298 IonicContact OD2-NH2 3.44Å; D296-R298 PolarHBondContact OD2-NH2 3.44Å; R298-P354 WeakPolarHBondContact O-CG 3.3Å; R298-I355 HydrophobicContact CB-CB 3.97Å; R298-I355 HydrophobicContact CB-CG2 3.98Å; R298-I355 PolarHBondContact N-O 2.93Å; R298-N357 PolarHBondContact NH2-ND2 2.87Å; R298-N357 VanDerWaalsContact NH2-ND2 3.19Å
299	G	91.1	Very high	93.9	Very high	25 Å²	25	59.2 Å²	59.2	26%	0.258	30%	0.303	S	S	.	.	S	Bend	trans	80.7	-169.3	176.5	0	0	0	0	0	113.4	D301 K345	G299-D301 PolarHBondContact O-N 2.02Å; G299-K345 PolarHBondContact O-NZ 2.94Å
300	S	90.3	Very high	94.3	Very high	29 Å²	29	55 Å²	55	20%	0.203	29%	0.286	C	S	.	.			trans	57.5	26.7	-178.1	-70.5	0	0	0	0	114.9	P58 I302 K345 R346 V347 P354	P58-S300 WeakPolarHBondContact CB-O 3.37Å; S300-I302 PolarHBondContact O-N 3.14Å; S300-K345 WeakPolarHBondContact O-CA 3.48Å; S300-K345 WeakPolarHBondContact O-CB 3.49Å; S300-R346 WeakPolarHBondContact CB-O 3.23Å; S300-R346 PolarHBondContact O-N 2.65Å; S300-V347 VanDerWaalsContact OG-CG1 3.27Å; S300-V347 WeakPolarHBondContact OG-CG1 3.44Å; S300-P354 WeakPolarHBondContact OG-CG 3.04Å
301	D	93.1	Very high	94.6	Very high	65 Å²	65	56.2 Å²	56.2	35%	0.348	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.8	-180	-54.2	-53.1	0	0	0	110.7	G299 Y343 K345	G299-D301 PolarHBondContact O-N 2.02Å; D301-Y343 HydrophobicContact CB-CD1 4.48Å; D301-K345 VanDerWaalsContact OD1-CE 3.32Å; D301-K345 WeakPolarHBondContact OD1-CE 3.46Å; D301-K345 WeakPolarHBondContact OD1-CG 3.34Å; D301-K345 IonicContact OD1-NZ 2.78Å; D301-K345 PolarHBondContact OD1-NZ 2.02Å
302	I	91.3	Very high	94.8	Very high	39 Å²	39	57.2 Å²	57.2	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-50.9	167.9	-59.8	161.1	0	0	0	108.6	P58 S300 N322 L344 R346	P58-I302 HydrophobicContact CB-CG1 4.13Å; S300-I302 PolarHBondContact O-N 3.14Å; I302-N322 HydrophobicContact CD1-CB 4.04Å; I302-N322 WeakPolarHBondContact CD1-O 3.28Å; I302-L344 WeakPolarHBondContact CB-O 3.47Å; I302-L344 PolarHBondContact N-O 2.93Å; I302-R346 HydrophobicContact CD1-CB 3.68Å; I302-R346 HydrophobicContact CG1-CB 4.11Å
303	R	92.3	Very high	94.9	Very high	91 Å²	91	56.6 Å²	56.6	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	172.8	178.9	66.8	-178.8	-175.1	-76.8	-2.7	109.6	E305 D320 L344	R303-E305 IonicContact CZ-OE1 3.21Å; R303-E305 IonicContact NE-OE1 2.72Å; R303-E305 PolarHBondContact NE-OE1 2.95Å; R303-E305 IonicContact NH2-OE1 3.43Å; R303-E305 PolarHBondContact NH2-OE1 3.22Å; R303-D320 IonicContact CZ-OD2 3.02Å; R303-D320 IonicContact NH1-OD2 2.85Å; R303-D320 PolarHBondContact NH1-OD2 2.76Å; R303-D320 IonicContact NH2-OD2 2.59Å; R303-D320 PolarHBondContact NH2-OD2 3.08Å; R303-L344 HydrophobicContact CG-CD1 4.48Å; R303-L344 VanDerWaalsContact NH2-CD1 3.33Å; R303-L344 PolarHBondContact O-N 2.82Å
304	F	95.6	Very high	94.9	Very high	93 Å²	93	52.8 Å²	52.8	41%	0.408	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.6	164.2	72	-91.2	0	0	0	111.6	R341 C342 Y343	F304-R341 HydrophobicContact CB-CB 4.37Å; F304-R341 HydrophobicContact CD2-CB 4.12Å; F304-R341 HydrophobicContact CD2-CG 3.64Å; F304-R341 HydrophobicContact CE2-CG 3.97Å; F304-R341 HydrophobicContact CG-CB 4.43Å; F304-R341 HydrophobicContact CG-CG 4.27Å; F304-C342 CarbonylContact C-O 2.97Å; F304-C342 WeakPolarHBondContact CA-O 3.41Å; F304-C342 WeakPolarHBondContact CB-O 3.18Å; F304-Y343 HydrophobicContact CB-CD1 3.7Å; F304-Y343 HydrophobicContact CB-CE1 3.88Å; F304-Y343 HydrophobicContact CB-CG 4.16Å; F304-Y343 HydrophobicContact CD1-CE1 4.14Å; F304-Y343 HydrophobicContact CG-CE1 4.23Å
305	E	95.9	Very high	94.9	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.8	170.9	-65.4	-176.8	-149.6	0	0	108.7	R303 M307 K316 C342	R303-E305 IonicContact CZ-OE1 3.21Å; R303-E305 IonicContact NE-OE1 2.72Å; R303-E305 PolarHBondContact NE-OE1 2.95Å; R303-E305 IonicContact NH2-OE1 3.43Å; R303-E305 PolarHBondContact NH2-OE1 3.22Å; E305-M307 HydrophobicContact CB-CE 3.96Å; E305-K316 VanDerWaalsContact CD-CE 3.48Å; E305-K316 VanDerWaalsContact OE1-CE 3.24Å; E305-K316 WeakPolarHBondContact OE1-CE 3.31Å; E305-K316 IonicContact OE1-NZ 3.49Å; E305-K316 PolarHBondContact OE1-NZ 2.82Å; E305-K316 WeakPolarHBondContact OE2-CE 2.94Å; E305-K316 IonicContact OE2-NZ 3.34Å; E305-K316 PolarHBondContact OE2-NZ 3.13Å; E305-C342 PolarHBondContact N-O 3.03Å; E305-C342 PolarHBondContact O-N 3.48Å
306	L	97.1	Very high	94.9	Very high	119 Å²	119	57.6 Å²	57.6	62%	0.623	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.5	177	-66.5	174.8	0	0	0	110	R340 R341	L306-R340 CarbonylContact C-O 3.53Å; L306-R340 WeakPolarHBondContact CA-O 3.07Å; L306-R341 HydrophobicContact CD2-CG 3.87Å
307	M	95.9	Very high	94.9	Very high	20 Å²	20	56.6 Å²	56.6	10%	0.099	28%	0.282	C	S	.	.			trans	-160.5	169.2	177.1	60.4	-169.2	68.7	0	0	112.1	E305 L312 C313 K316 Y328 R340 C342	E305-M307 HydrophobicContact CB-CE 3.96Å; M307-L312 HydrophobicContact CB-CB 4.36Å; M307-L312 HydrophobicContact CG-CB 4.47Å; M307-L312 HydrophobicContact SD-CB 3.97Å; M307-C313 WeakPolarHBondContact SD-CA 3.13Å; M307-C313 HydrophobicContact SD-CB 3.46Å; M307-C313 WeakPolarHBondContact SD-CB 3.39Å; M307-C313 PolarHBondContact SD-N 2.81Å; M307-K316 HydrophobicContact CE-CB 4.08Å; M307-K316 HydrophobicContact CE-CG 4.19Å; M307-Y328 HydrophobicContact CG-CD2 4.25Å; M307-Y328 HydrophobicContact CG-CE2 4.18Å; M307-Y328 WeakPolarHBondContact O-CE2 3.16Å; M307-R340 PolarHBondContact N-O 2.84Å; M307-R340 WeakPolarHBondContact O-CA 3.27Å; M307-R340 WeakPolarHBondContact O-CB 3.46Å; M307-R340 WeakPolarHBondContact O-CG 3.42Å; M307-R340 VanDerWaalsContact O-O 3.13Å; M307-C342 HydrophobicContact CE-CB 3.31Å; M307-C342 VanDerWaalsContact CE-SG 3.57Å; M307-C342 HydrophobicContact CG-CB 3.72Å; M307-C342 HydrophobicContact SD-CB 3.31Å; M307-C342 WeakPolarHBondContact SD-CB 3.49Å; M307-C342 VanDerWaalsContact SD-SG 3.63Å
308	D	94.8	Very high	94.7	Very high	95 Å²	95	57.1 Å²	57.1	51%	0.508	29%	0.285	S	S	.	.	S	Bend	trans	-93.5	-20.1	-164.9	-62.5	-23	0	0	0	114.2	L312 Y328 R340	D308-L312 HydrophobicContact CB-CD1 4.46Å; D308-Y328 VanDerWaalsContact C-OH 3.29Å; D308-Y328 PolarHBondContact O-OH 2.89Å; D308-R340 IonicContact OD1-CZ 3.3Å; D308-R340 IonicContact OD1-NE 2.64Å; D308-R340 PolarHBondContact OD1-NE 3.48Å; D308-R340 IonicContact OD1-NH2 3.62Å; D308-R340 PolarHBondContact OD1-NH2 3.08Å
309	T	96.8	Very high	94.7	Very high	51 Å²	51	58 Å²	58	31%	0.313	29%	0.294	S	S	.	.			trans	-146.2	161.7	-175.6	85	0	0	0	0	112.9	E311 L312 C313	T309-E311 VanDerWaalsContact C-N 3.31Å; T309-E311 WeakPolarHBondContact CB-OE2 3.29Å; T309-E311 PolarHBondContact OG1-N 3.22Å; T309-E311 PolarHBondContact OG1-OE2 3.15Å; T309-L312 PolarHBondContact O-N 2.65Å; T309-L312 PolarHBondContact OG1-N 2.89Å; T309-C313 PolarHBondContact O-N 2.78Å
310	A	96.8	Very high	94.6	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-31.5	175.9	0	0	0	0	0	112.6	C313 Q314 Y328 V363	A310-C313 WeakPolarHBondContact O-CA 3.31Å; A310-C313 VanDerWaalsContact O-CB 3.3Å; A310-C313 WeakPolarHBondContact O-CB 3.33Å; A310-C313 PolarHBondContact O-N 3.23Å; A310-C313 VanDerWaalsContact O-N 3.12Å; A310-Q314 PolarHBondContact O-N 3.12Å; A310-Y328 HydrophobicContact CB-CD1 3.84Å; A310-Y328 HydrophobicContact CB-CG 4.13Å; A310-V363 HydrophobicContact CB-CB 3.65Å; A310-V363 HydrophobicContact CB-CG1 3.72Å; A310-V363 HydrophobicContact CB-CG2 3.95Å
311	E	96.6	Very high	94.4	Very high	126 Å²	126	57.3 Å²	57.3	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-67	-40.5	177.7	-57.9	74.2	-161.6	0	0	111.3	T309 C313 Q314 L315	T309-E311 VanDerWaalsContact C-N 3.31Å; T309-E311 WeakPolarHBondContact CB-OE2 3.29Å; T309-E311 PolarHBondContact OG1-N 3.22Å; T309-E311 PolarHBondContact OG1-OE2 3.15Å; E311-C313 PolarHBondContact O-N 2.99Å; E311-Q314 PolarHBondContact O-N 3.04Å; E311-L315 PolarHBondContact O-N 3.22Å
312	L	97.3	Very high	94.1	Very high	81 Å²	81	54.9 Å²	54.9	42%	0.424	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-33.7	172.1	-68.6	175.6	0	0	0	111.2	M307 D308 T309 L315 K316	M307-L312 HydrophobicContact CB-CB 4.36Å; M307-L312 HydrophobicContact CG-CB 4.47Å; M307-L312 HydrophobicContact SD-CB 3.97Å; D308-L312 HydrophobicContact CB-CD1 4.46Å; T309-L312 PolarHBondContact O-N 2.65Å; T309-L312 PolarHBondContact OG1-N 2.89Å; L312-L315 PolarHBondContact O-N 3.39Å; L312-K316 WeakPolarHBondContact O-CB 3.03Å; L312-K316 PolarHBondContact O-N 3.36Å
313	C	97.7	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-42	177.3	-171.2	0	0	0	0	112.1	M307 T309 A310 E311 K316 C317 Y326 Y328 C342	M307-C313 WeakPolarHBondContact SD-CA 3.13Å; M307-C313 HydrophobicContact SD-CB 3.46Å; M307-C313 WeakPolarHBondContact SD-CB 3.39Å; M307-C313 PolarHBondContact SD-N 2.81Å; T309-C313 PolarHBondContact O-N 2.78Å; A310-C313 WeakPolarHBondContact O-CA 3.31Å; A310-C313 VanDerWaalsContact O-CB 3.3Å; A310-C313 WeakPolarHBondContact O-CB 3.33Å; A310-C313 PolarHBondContact O-N 3.23Å; A310-C313 VanDerWaalsContact O-N 3.12Å; E311-C313 PolarHBondContact O-N 2.99Å; C313-K316 PolarHBondContact O-N 3.05Å; C313-C317 WeakPolarHBondContact O-CB 3.42Å; C313-C317 PolarHBondContact O-N 2.87Å; C313-Y326 HydrophobicContact CB-CD2 3.93Å; C313-Y326 HydrophobicContact CB-CE2 4.17Å; C313-Y326 WeakPolarHBondContact SG-CD2 3.4Å; C313-Y328 HydrophobicContact CB-CD2 4.34Å; C313-C342 WeakPolarHBondContact CA-SG 3.32Å; C313-C342 HydrophobicContact CB-CB 3.67Å; C313-C342 WeakPolarHBondContact CB-SG 3.44Å; C313-C342 VanDerWaalsContact SG-CA 3.51Å; C313-C342 WeakPolarHBondContact SG-CB 3.38Å; C313-C342 CovalentContact SG-SG 2.02Å; C313-C342 PolarHBondContact SG-SG 3.26Å
314	Q	96.6	Very high	94	Very high	39 Å²	39	50.2 Å²	50.2	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-50.8	171.8	-171.6	167.1	57.3	0	0	111.5	A310 E311 K316 C317 D318 Y326	A310-Q314 PolarHBondContact O-N 3.12Å; E311-Q314 PolarHBondContact O-N 3.04Å; Q314-K316 PolarHBondContact O-N 3.01Å; Q314-C317 CarbonylContact O-C 3.52Å; Q314-C317 WeakPolarHBondContact O-CA 3.28Å; Q314-C317 WeakPolarHBondContact O-CB 3.44Å; Q314-C317 PolarHBondContact O-N 3.45Å; Q314-D318 PolarHBondContact O-N 3.47Å; Q314-Y326 HydrophobicContact CB-CD1 4.43Å; Q314-Y326 HydrophobicContact CB-CE1 3.56Å; Q314-Y326 WeakPolarHBondContact CB-OH 3.07Å; Q314-Y326 HydrophobicContact CG-CE1 3.71Å
315	L	95.7	Very high	93.9	Very high	79 Å²	79	45.8 Å²	45.8	41%	0.414	23%	0.233	S	C	.	.	H	α-helix	trans	-56.4	-43.2	179.2	-179.3	64.6	0	0	0	111.2	E311 L312 C317 D318 E319	E311-L315 PolarHBondContact O-N 3.22Å; L312-L315 PolarHBondContact O-N 3.39Å; L315-C317 PolarHBondContact O-N 2.73Å; L315-D318 WeakPolarHBondContact O-CB 3.42Å; L315-D318 PolarHBondContact O-N 2.8Å; L315-E319 WeakPolarHBondContact O-CG 3.46Å; L315-E319 PolarHBondContact O-N 3.29Å; L315-E319 VanDerWaalsContact O-N 3.08Å
316	K	95.9	Very high	93.9	Very high	63 Å²	63	43.4 Å²	43.4	27%	0.274	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-40.4	177	-172.9	70.7	-165	-146.5	0	112.5	E305 M307 L312 C313 Q314 E319 D320 L344	E305-K316 VanDerWaalsContact CD-CE 3.48Å; E305-K316 VanDerWaalsContact OE1-CE 3.24Å; E305-K316 WeakPolarHBondContact OE1-CE 3.31Å; E305-K316 IonicContact OE1-NZ 3.49Å; E305-K316 PolarHBondContact OE1-NZ 2.82Å; E305-K316 WeakPolarHBondContact OE2-CE 2.94Å; E305-K316 IonicContact OE2-NZ 3.34Å; E305-K316 PolarHBondContact OE2-NZ 3.13Å; M307-K316 HydrophobicContact CE-CB 4.08Å; M307-K316 HydrophobicContact CE-CG 4.19Å; L312-K316 WeakPolarHBondContact O-CB 3.03Å; L312-K316 PolarHBondContact O-N 3.36Å; C313-K316 PolarHBondContact O-N 3.05Å; Q314-K316 PolarHBondContact O-N 3.01Å; K316-E319 PolarHBondContact O-N 2.93Å; K316-D320 PolarHBondContact O-N 2.85Å; K316-L344 HydrophobicContact CG-CD1 4.07Å; K316-L344 HydrophobicContact CG-CD2 4.33Å
317	C	94.6	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-38.2	175.6	-172.8	0	0	0	0	111.7	C313 Q314 L315 E319 D320 C323 Y326 L344	C313-C317 WeakPolarHBondContact O-CB 3.42Å; C313-C317 PolarHBondContact O-N 2.87Å; Q314-C317 CarbonylContact O-C 3.52Å; Q314-C317 WeakPolarHBondContact O-CA 3.28Å; Q314-C317 WeakPolarHBondContact O-CB 3.44Å; Q314-C317 PolarHBondContact O-N 3.45Å; L315-C317 PolarHBondContact O-N 2.73Å; C317-E319 VanDerWaalsContact C-N 3.34Å; C317-E319 PolarHBondContact O-N 3.4Å; C317-D320 PolarHBondContact O-N 2.04Å; C317-C323 VanDerWaalsContact CA-SG 3.54Å; C317-C323 HydrophobicContact CB-CB 3.93Å; C317-C323 WeakPolarHBondContact CB-SG 3.42Å; C317-C323 WeakPolarHBondContact O-CB 3.34Å; C317-C323 WeakPolarHBondContact SG-CB 3.12Å; C317-C323 CovalentContact SG-SG 2.04Å; C317-C323 PolarHBondContact SG-SG 3.32Å; C317-Y326 HydrophobicContact CB-CD1 4Å; C317-Y326 HydrophobicContact CB-CG 4.45Å; C317-L344 HydrophobicContact CB-CD2 3.86Å
318	D	92.4	Very high	94.1	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-40.5	175.9	-72.5	-2.4	0	0	0	112.7	Q314 L315 S367 L368 R372	Q314-D318 PolarHBondContact O-N 3.47Å; L315-D318 WeakPolarHBondContact O-CB 3.42Å; L315-D318 PolarHBondContact O-N 2.8Å; D318-S367 WeakPolarHBondContact OD1-CA 3.45Å; D318-S367 PolarHBondContact OD1-OG 2.85Å; D318-L368 PolarHBondContact OD1-N 2.79Å; D318-R372 IonicContact OD2-CZ 3.61Å; D318-R372 IonicContact OD2-NH2 2.63Å; D318-R372 PolarHBondContact OD2-NH2 3.2Å
319	E	91.4	Very high	94.2	Very high	130 Å²	130	33.4 Å²	33.4	61%	0.607	17%	0.168	S	C	*	.	H	α-helix	trans	-72.1	-27.5	178.3	-71.2	177	173.4	0	0	113.2	L315 K316 C317 P321	L315-E319 WeakPolarHBondContact O-CG 3.46Å; L315-E319 PolarHBondContact O-N 3.29Å; L315-E319 VanDerWaalsContact O-N 3.08Å; K316-E319 PolarHBondContact O-N 2.93Å; C317-E319 VanDerWaalsContact C-N 3.34Å; C317-E319 PolarHBondContact O-N 3.4Å; E319-P321 WeakPolarHBondContact O-CD 3.45Å
320	D	89.1	Confident	94.1	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.064	16%	0.162	C	C	.	.			trans	-85.5	112.1	-178.8	-171.9	-19	0	0	0	111.1	R303 K316 C317 N322 C323 R369	R303-D320 IonicContact CZ-OD2 3.02Å; R303-D320 IonicContact NH1-OD2 2.85Å; R303-D320 PolarHBondContact NH1-OD2 2.76Å; R303-D320 IonicContact NH2-OD2 2.59Å; R303-D320 PolarHBondContact NH2-OD2 3.08Å; K316-D320 PolarHBondContact O-N 2.85Å; C317-D320 PolarHBondContact O-N 2.04Å; D320-N322 PolarHBondContact O-N 2.73Å; D320-N322 WeakPolarHBondContact OD1-CA 3.34Å; D320-N322 VanDerWaalsContact OD1-CB 3.28Å; D320-N322 WeakPolarHBondContact OD1-CB 3.42Å; D320-N322 PolarHBondContact OD1-N 2.69Å; D320-N322 PolarHBondContact OD1-ND2 3.44Å; D320-C323 HydrophobicContact CB-CB 3.93Å; D320-C323 PolarHBondContact O-N 2.81Å; D320-R369 PolarHBondContact O-NH1 3.04Å
321	P	85.5	Confident	94	Very high	29 Å²	29	37.2 Å²	37.2	19%	0.188	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.8	178.3	30.9	-42	0	0	0	113.2	N108 E319 R346	N108-P321 VanDerWaalsContact OD1-CB 3.26Å; N108-P321 WeakPolarHBondContact OD1-CB 3.11Å; N108-P321 WeakPolarHBondContact OD1-CG 3.21Å; E319-P321 WeakPolarHBondContact O-CD 3.45Å; P321-R346 PolarHBondContact O-NH2 3.29Å
322	N	86.3	Confident	93.9	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.07	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-17.5	177.6	-57.3	-70.8	0	0	0	113.8	K105 I302 D320 R346	K105-N322 PolarHBondContact O-ND2 3.01Å; I302-N322 HydrophobicContact CD1-CB 4.04Å; I302-N322 WeakPolarHBondContact CD1-O 3.28Å; D320-N322 PolarHBondContact O-N 2.73Å; D320-N322 WeakPolarHBondContact OD1-CA 3.34Å; D320-N322 VanDerWaalsContact OD1-CB 3.28Å; D320-N322 WeakPolarHBondContact OD1-CB 3.42Å; D320-N322 PolarHBondContact OD1-N 2.69Å; D320-N322 PolarHBondContact OD1-ND2 3.44Å; N322-R346 VanDerWaalsContact O-CB 3.31Å; N322-R346 WeakPolarHBondContact O-CB 3.29Å; N322-R346 WeakPolarHBondContact O-CD 3.41Å; N322-R346 PolarHBondContact O-NE 3.12Å; N322-R346 PolarHBondContact OD1-NH1 3.39Å
323	C	90.7	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.			trans	-81.8	132.8	-179.2	-166.2	0	0	0	0	110.7	C317 D320 F325 L344 R369	C317-C323 VanDerWaalsContact CA-SG 3.54Å; C317-C323 HydrophobicContact CB-CB 3.93Å; C317-C323 WeakPolarHBondContact CB-SG 3.42Å; C317-C323 WeakPolarHBondContact O-CB 3.34Å; C317-C323 WeakPolarHBondContact SG-CB 3.12Å; C317-C323 CovalentContact SG-SG 2.04Å; C317-C323 PolarHBondContact SG-SG 3.32Å; D320-C323 HydrophobicContact CB-CB 3.93Å; D320-C323 PolarHBondContact O-N 2.81Å; C323-F325 PolarHBondContact SG-O 2.82Å; C323-L344 HydrophobicContact CB-CB 4.44Å; C323-R369 PolarHBondContact O-NH1 3.03Å; C323-R369 PolarHBondContact O-NH2 2.95Å
324	Q	90.9	Very high	93.5	Very high	33 Å²	33	40.9 Å²	40.9	15%	0.154	21%	0.213	C	C	.	.	S	Bend	trans	-108.3	-34.9	172.6	-74.5	175.2	-25.2	0	0	111.6	K345 R346 V347 P351 S367	Q324-K345 PolarHBondContact N-O 2.83Å; Q324-R346 HydrophobicContact CG-CB 4.47Å; Q324-R346 HydrophobicContact CG-CG 4.04Å; Q324-V347 PolarHBondContact NE2-O 3.15Å; Q324-V347 VanDerWaalsContact OE1-CG2 3.24Å; Q324-V347 PolarHBondContact OE1-O 2.96Å; Q324-P351 HydrophobicContact CB-CB 4.36Å; Q324-S367 PolarHBondContact O-N 2.95Å
325	F	93.8	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	167.6	178.2	53.2	-91	0	0	0	109.9	F297 C323 K345 V347 P353 G365 F366	F297-F325 HydrophobicContact CB-CD2 3.97Å; F297-F325 HydrophobicContact CB-CE2 4.18Å; F297-F325 HydrophobicContact CD2-CB 4.03Å; F297-F325 AromaticContact CD2-CD2 3.82Å; F297-F325 HydrophobicContact CD2-CD2 3.82Å; F297-F325 HydrophobicContact CD2-CG 4.21Å; F297-F325 HydrophobicContact CE2-CB 4.39Å; F297-F325 HydrophobicContact CG-CD2 4.37Å; C323-F325 PolarHBondContact SG-O 2.82Å; F325-K345 HydrophobicContact CD2-CB 3.52Å; F325-K345 HydrophobicContact CD2-CD 3.63Å; F325-K345 HydrophobicContact CD2-CG 4.22Å; F325-K345 HydrophobicContact CE2-CB 3.34Å; F325-K345 HydrophobicContact CE2-CD 3.58Å; F325-K345 HydrophobicContact CE2-CG 4.07Å; F325-K345 HydrophobicContact CG-CB 4.26Å; F325-K345 HydrophobicContact CZ-CB 3.94Å; F325-K345 PolarHBondContact N-O 3.49Å; F325-K345 WeakPolarHBondContact O-CA 3.42Å; F325-K345 WeakPolarHBondContact O-CB 3.12Å; F325-K345 PolarHBondContact O-N 3.34Å; F325-V347 HydrophobicContact CE1-CG1 4.16Å; F325-V347 HydrophobicContact CE1-CG2 4.13Å; F325-V347 HydrophobicContact CZ-CG1 3.96Å; F325-P353 HydrophobicContact CD2-CB 4.49Å; F325-P353 HydrophobicContact CD2-CG 4.32Å; F325-P353 HydrophobicContact CE2-CB 4.08Å; F325-P353 HydrophobicContact CE2-CG 4.34Å; F325-P353 HydrophobicContact CG-CG 4.44Å; F325-P353 HydrophobicContact CZ-CB 4.25Å; F325-G365 CarbonylContact C-O 3.6Å; F325-G365 VanDerWaalsContact CA-O 3.23Å; F325-G365 WeakPolarHBondContact CA-O 3.41Å; F325-G365 WeakPolarHBondContact CB-O 3.33Å; F325-F366 HydrophobicContact CB-CD1 3.89Å; F325-F366 HydrophobicContact CB-CE1 4.26Å; F325-F366 HydrophobicContact CB-CG 4.39Å
326	Y	96.6	Very high	93.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.9	-176.5	69.4	-89.2	0	0	0	112.1	C313 Q314 C317 Y343 S364 G365	C313-Y326 HydrophobicContact CB-CD2 3.93Å; C313-Y326 HydrophobicContact CB-CE2 4.17Å; C313-Y326 WeakPolarHBondContact SG-CD2 3.4Å; Q314-Y326 HydrophobicContact CB-CD1 4.43Å; Q314-Y326 HydrophobicContact CB-CE1 3.56Å; Q314-Y326 WeakPolarHBondContact CB-OH 3.07Å; Q314-Y326 HydrophobicContact CG-CE1 3.71Å; C317-Y326 HydrophobicContact CB-CD1 4Å; C317-Y326 HydrophobicContact CB-CG 4.45Å; Y326-Y343 WeakPolarHBondContact CA-O 3.26Å; Y326-Y343 WeakPolarHBondContact CB-O 3.16Å; Y326-S364 VanDerWaalsContact O-CA 3.24Å; Y326-S364 WeakPolarHBondContact O-CA 3.03Å; Y326-S364 WeakPolarHBondContact O-CB 3.35Å; Y326-G365 WeakPolarHBondContact CD1-O 3.16Å; Y326-G365 VanDerWaalsContact CE1-C 3.5Å; Y326-G365 VanDerWaalsContact CE1-CA 3.5Å; Y326-G365 PolarHBondContact N-O 2.59Å; Y326-G365 PolarHBondContact O-N 3.39Å; Y326-G365 VanDerWaalsContact O-N 3.13Å
327	T	97.9	Very high	93.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.9	163.2	-59.7	0	0	0	0	108.9	F297 Y343 K345 V362 V363 S364	F297-T327 PolarHBondContact N-OG1 3.03Å; T327-Y343 PolarHBondContact N-O 3.18Å; T327-Y343 VanDerWaalsContact N-O 3.08Å; T327-Y343 PolarHBondContact O-N 3.28Å; T327-K345 VanDerWaalsContact OG1-CE 3.29Å; T327-K345 WeakPolarHBondContact OG1-CE 3.38Å; T327-V362 HydrophobicContact CG2-CB 3.99Å; T327-V362 HydrophobicContact CG2-CG2 4.28Å; T327-V363 CarbonylContact C-O 3.41Å; T327-V363 WeakPolarHBondContact CA-O 3.06Å; T327-S364 WeakPolarHBondContact CB-OG 3.05Å; T327-S364 WeakPolarHBondContact CG2-OG 3.49Å; T327-S364 PolarHBondContact OG1-OG 3.46Å
328	Y	98.3	Very high	93.1	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.6	172.1	173.4	-102.5	0	0	0	109.9	M307 D308 A310 C313 D330 R341 C342 V362 V363	M307-Y328 HydrophobicContact CG-CD2 4.25Å; M307-Y328 HydrophobicContact CG-CE2 4.18Å; M307-Y328 WeakPolarHBondContact O-CE2 3.16Å; D308-Y328 VanDerWaalsContact C-OH 3.29Å; D308-Y328 PolarHBondContact O-OH 2.89Å; A310-Y328 HydrophobicContact CB-CD1 3.84Å; A310-Y328 HydrophobicContact CB-CG 4.13Å; C313-Y328 HydrophobicContact CB-CD2 4.34Å; Y328-D330 HydrophobicContact CE1-CB 3.8Å; Y328-R341 WeakPolarHBondContact CA-O 3.38Å; Y328-C342 HydrophobicContact CD2-CB 4.49Å; Y328-V362 CarbonylContact O-C 3.58Å; Y328-V362 WeakPolarHBondContact O-CA 3.38Å; Y328-V362 WeakPolarHBondContact O-CB 3.37Å; Y328-V363 HydrophobicContact CD1-CG2 4.45Å; Y328-V363 PolarHBondContact N-O 2.71Å; Y328-V363 PolarHBondContact O-N 2.91Å
329	V	97.8	Very high	93.3	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.6	176.8	-179.4	0	0	0	0	109.4	F333 A338 R340 R341 Y343 V362	V329-F333 HydrophobicContact CG1-CB 3.39Å; V329-F333 HydrophobicContact CG1-CD1 3.71Å; V329-F333 HydrophobicContact CG1-CD2 3.95Å; V329-F333 HydrophobicContact CG1-CE1 4.46Å; V329-F333 HydrophobicContact CG1-CG 3.41Å; V329-F333 VanDerWaalsContact CG1-CG 3.41Å; V329-A338 WeakPolarHBondContact CB-O 3.26Å; V329-A338 HydrophobicContact CG1-CB 4.11Å; V329-A338 WeakPolarHBondContact CG1-O 3.46Å; V329-R340 WeakPolarHBondContact O-CA 3.44Å; V329-R340 PolarHBondContact O-N 2.88Å; V329-R341 PolarHBondContact N-O 2.88Å; V329-Y343 HydrophobicContact CG2-CD2 4.19Å; V329-Y343 HydrophobicContact CG2-CE2 3.76Å; V329-V362 HydrophobicContact CB-CG1 4.5Å; V329-V362 HydrophobicContact CG1-CG1 4.42Å; V329-V362 HydrophobicContact CG2-CG1 4.02Å
330	D	94.9	Very high	93.5	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.182	25%	0.254	C	S	.	.			trans	-85.4	174.7	-178.8	77.7	45.3	0	0	0	112.8	Y328 N332 F333 S361	Y328-D330 HydrophobicContact CE1-CB 3.8Å; D330-N332 PolarHBondContact O-N 3.45Å; D330-N332 VanDerWaalsContact OD1-CA 3.29Å; D330-N332 WeakPolarHBondContact OD1-CA 3.08Å; D330-N332 WeakPolarHBondContact OD1-CB 3.39Å; D330-N332 PolarHBondContact OD1-N 2.83Å; D330-F333 WeakPolarHBondContact O-CB 3.24Å; D330-F333 PolarHBondContact O-N 3.3Å; D330-S361 PolarHBondContact N-O 3.06Å; D330-S361 VanDerWaalsContact OD1-CB 3.26Å; D330-S361 WeakPolarHBondContact OD1-CB 3.21Å; D330-S361 VanDerWaalsContact OD2-C 3.31Å; D330-S361 WeakPolarHBondContact OD2-CA 3.36Å
331	E	94.3	Very high	93.9	Very high	107 Å²	107	52.8 Å²	52.8	50%	0.5	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.9	-176	-58.7	-171.4	159.4	0	0	114.4	F333 W339 R340	E331-F333 VanDerWaalsContact C-N 3.3Å; E331-W339 HydrophobicContact CB-CD2 4.39Å; E331-W339 WeakPolarHBondContact O-CZ2 3.33Å; E331-W339 PolarHBondContact O-NE1 3.27Å; E331-W339 VanDerWaalsContact O-NE1 3.16Å; E331-R340 HydrophobicContact CG-CG 4.15Å; E331-R340 WeakPolarHBondContact OE1-CD 3.48Å
332	N	93.4	Very high	94.5	Very high	132 Å²	132	51.4 Å²	51.4	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1.7	172.7	-56.3	-53	0	0	0	112.1	D330 S361	D330-N332 PolarHBondContact O-N 3.45Å; D330-N332 VanDerWaalsContact OD1-CA 3.29Å; D330-N332 WeakPolarHBondContact OD1-CA 3.08Å; D330-N332 WeakPolarHBondContact OD1-CB 3.39Å; D330-N332 PolarHBondContact OD1-N 2.83Å; N332-S361 VanDerWaalsContact C-CB 3.49Å; N332-S361 VanDerWaalsContact C-OG 3.29Å; N332-S361 WeakPolarHBondContact CB-OG 3.29Å; N332-S361 PolarHBondContact O-OG 2.89Å
333	F	94.3	Very high	95.1	Very high	39 Å²	39	52.8 Å²	52.8	17%	0.171	26%	0.258	C	S	.	.	S	Bend	trans	-68.1	145.1	176.3	-166.6	-105	0	0	0	111.1	V329 D330 E331 D335 A338 W339 Q359 V362	V329-F333 HydrophobicContact CG1-CB 3.39Å; V329-F333 HydrophobicContact CG1-CD1 3.71Å; V329-F333 HydrophobicContact CG1-CD2 3.95Å; V329-F333 HydrophobicContact CG1-CE1 4.46Å; V329-F333 HydrophobicContact CG1-CG 3.41Å; V329-F333 VanDerWaalsContact CG1-CG 3.41Å; D330-F333 WeakPolarHBondContact O-CB 3.24Å; D330-F333 PolarHBondContact O-N 3.3Å; E331-F333 VanDerWaalsContact C-N 3.3Å; F333-D335 VanDerWaalsContact C-N 3.28Å; F333-D335 HydrophobicContact CD1-CB 3.97Å; F333-D335 HydrophobicContact CE1-CB 3.9Å; F333-D335 PolarHBondContact O-N 2.93Å; F333-A338 HydrophobicContact CD1-CB 4.03Å; F333-A338 HydrophobicContact CE1-CB 4.19Å; F333-W339 PolarHBondContact O-NE1 3.05Å; F333-Q359 HydrophobicContact CE2-CG 3.86Å; F333-V362 HydrophobicContact CD2-CG1 3.76Å; F333-V362 HydrophobicContact CE2-CG1 3.77Å
334	S	92.5	Very high	95.3	Very high	112 Å²	112	52.8 Å²	52.8	78%	0.783	26%	0.258	S	S	*	.	S	Bend	trans	-63.2	-32.7	-173.1	55.4	0	0	0	0	113.6
335	D	93.3	Very high	95.4	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.444	25%	0.251	S	S	.	.			trans	-95	108.7	176.6	-178.2	7.6	0	0	0	111.2	F333 A337 A338	F333-D335 VanDerWaalsContact C-N 3.28Å; F333-D335 HydrophobicContact CD1-CB 3.97Å; F333-D335 HydrophobicContact CE1-CB 3.9Å; F333-D335 PolarHBondContact O-N 2.93Å; D335-A337 PolarHBondContact O-N 3.23Å; D335-A337 WeakPolarHBondContact OD1-CB 3.41Å; D335-A337 PolarHBondContact OD1-N 2.79Å; D335-A338 HydrophobicContact CB-CB 4.39Å; D335-A338 PolarHBondContact O-N 3.34Å
336	R	93.3	Very high	95.2	Very high	191 Å²	191	52.4 Å²	52.4	72%	0.721	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-62.5	-25.6	178.9	-52.8	-161.1	179.1	176.4	-1.3	113.8	A338 W339	R336-A338 PolarHBondContact O-N 3.45Å; R336-W339 HydrophobicContact CB-CD2 4.05Å; R336-W339 HydrophobicContact CB-CE3 4.28Å; R336-W339 HydrophobicContact CB-CH2 4.32Å; R336-W339 HydrophobicContact CB-CZ2 4.08Å; R336-W339 HydrophobicContact CB-CZ3 4.4Å; R336-W339 HydrophobicContact CG-CD2 4.37Å; R336-W339 HydrophobicContact CG-CH2 3.77Å; R336-W339 HydrophobicContact CG-CZ2 3.46Å; R336-W339 VanDerWaalsContact CG-CZ2 3.46Å; R336-W339 HydrophobicContact CG-CZ3 4.31Å; R336-W339 PolarHBondContact O-N 3.41Å
337	A	94.1	Very high	94.6	Very high	61 Å²	61	52.8 Å²	52.8	50%	0.504	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-67.6	-24.3	177.5	0	0	0	0	0	111.8	D335 R341	D335-A337 PolarHBondContact O-N 3.23Å; D335-A337 WeakPolarHBondContact OD1-CB 3.41Å; D335-A337 PolarHBondContact OD1-N 2.79Å; A337-R341 PolarHBondContact O-NE 2.93Å; A337-R341 PolarHBondContact O-NH2 3.15Å
338	A	93.4	Very high	93.5	Very high	6 Å²	6	53.8 Å²	53.8	5%	0.05	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-90.5	-9.5	-177.6	0	0	0	0	0	114.1	V329 F333 D335 R336 R341	V329-A338 WeakPolarHBondContact CB-O 3.26Å; V329-A338 HydrophobicContact CG1-CB 4.11Å; V329-A338 WeakPolarHBondContact CG1-O 3.46Å; F333-A338 HydrophobicContact CD1-CB 4.03Å; F333-A338 HydrophobicContact CE1-CB 4.19Å; D335-A338 HydrophobicContact CB-CB 4.39Å; D335-A338 PolarHBondContact O-N 3.34Å; R336-A338 PolarHBondContact O-N 3.45Å; A338-R341 VanDerWaalsContact O-CB 3.29Å; A338-R341 WeakPolarHBondContact O-CB 3.2Å; A338-R341 VanDerWaalsContact O-CG 3.29Å; A338-R341 WeakPolarHBondContact O-CG 3.27Å; A338-R341 PolarHBondContact O-N 3.46Å
339	W	96.7	Very high	92	Very high	81 Å²	81	55 Å²	55	31%	0.307	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	142.6	-178.3	-68.1	-8.7	0	0	0	112.8	E331 F333 R336 R341	E331-W339 HydrophobicContact CB-CD2 4.39Å; E331-W339 WeakPolarHBondContact O-CZ2 3.33Å; E331-W339 PolarHBondContact O-NE1 3.27Å; E331-W339 VanDerWaalsContact O-NE1 3.16Å; F333-W339 PolarHBondContact O-NE1 3.05Å; R336-W339 HydrophobicContact CB-CD2 4.05Å; R336-W339 HydrophobicContact CB-CE3 4.28Å; R336-W339 HydrophobicContact CB-CH2 4.32Å; R336-W339 HydrophobicContact CB-CZ2 4.08Å; R336-W339 HydrophobicContact CB-CZ3 4.4Å; R336-W339 HydrophobicContact CG-CD2 4.37Å; R336-W339 HydrophobicContact CG-CH2 3.77Å; R336-W339 HydrophobicContact CG-CZ2 3.46Å; R336-W339 VanDerWaalsContact CG-CZ2 3.46Å; R336-W339 HydrophobicContact CG-CZ3 4.31Å; R336-W339 PolarHBondContact O-N 3.41Å; W339-R341 PolarHBondContact O-N 3.26Å
340	R	96.9	Very high	90.5	Very high	99 Å²	99	57.3 Å²	57.3	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	10.3	176.3	-68.8	171.1	63.9	-162.6	1.7	114.1	L306 M307 D308 V329 E331 C342	L306-R340 CarbonylContact C-O 3.53Å; L306-R340 WeakPolarHBondContact CA-O 3.07Å; M307-R340 PolarHBondContact N-O 2.84Å; M307-R340 WeakPolarHBondContact O-CA 3.27Å; M307-R340 WeakPolarHBondContact O-CB 3.46Å; M307-R340 WeakPolarHBondContact O-CG 3.42Å; M307-R340 VanDerWaalsContact O-O 3.13Å; D308-R340 IonicContact OD1-CZ 3.3Å; D308-R340 IonicContact OD1-NE 2.64Å; D308-R340 PolarHBondContact OD1-NE 3.48Å; D308-R340 IonicContact OD1-NH2 3.62Å; D308-R340 PolarHBondContact OD1-NH2 3.08Å; V329-R340 WeakPolarHBondContact O-CA 3.44Å; V329-R340 PolarHBondContact O-N 2.88Å; E331-R340 HydrophobicContact CG-CG 4.15Å; E331-R340 WeakPolarHBondContact OE1-CD 3.48Å; R340-C342 PolarHBondContact O-N 2.98Å
341	R	97.8	Very high	88.8	Confident	64 Å²	64	58.1 Å²	58.1	24%	0.242	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.4	176.9	-66.4	-176.1	-174.6	-177.9	1.2	109.9	F304 L306 Y328 V329 A337 A338 W339 Y343	F304-R341 HydrophobicContact CB-CB 4.37Å; F304-R341 HydrophobicContact CD2-CB 4.12Å; F304-R341 HydrophobicContact CD2-CG 3.64Å; F304-R341 HydrophobicContact CE2-CG 3.97Å; F304-R341 HydrophobicContact CG-CB 4.43Å; F304-R341 HydrophobicContact CG-CG 4.27Å; L306-R341 HydrophobicContact CD2-CG 3.87Å; Y328-R341 WeakPolarHBondContact CA-O 3.38Å; V329-R341 PolarHBondContact N-O 2.88Å; A337-R341 PolarHBondContact O-NE 2.93Å; A337-R341 PolarHBondContact O-NH2 3.15Å; A338-R341 VanDerWaalsContact O-CB 3.29Å; A338-R341 WeakPolarHBondContact O-CB 3.2Å; A338-R341 VanDerWaalsContact O-CG 3.29Å; A338-R341 WeakPolarHBondContact O-CG 3.27Å; A338-R341 PolarHBondContact O-N 3.46Å; W339-R341 PolarHBondContact O-N 3.26Å; R341-Y343 HydrophobicContact CB-CD2 4.14Å; R341-Y343 HydrophobicContact CB-CE2 3.55Å; R341-Y343 WeakPolarHBondContact CD-OH 3.4Å; R341-Y343 PolarHBondContact NH1-OH 3.48Å
342	C	98.1	Very high	87.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.1	164.3	172	0	0	0	0	109	F304 E305 M307 C313 Y328 R340	F304-C342 CarbonylContact C-O 2.97Å; F304-C342 WeakPolarHBondContact CA-O 3.41Å; F304-C342 WeakPolarHBondContact CB-O 3.18Å; E305-C342 PolarHBondContact N-O 3.03Å; E305-C342 PolarHBondContact O-N 3.48Å; M307-C342 HydrophobicContact CE-CB 3.31Å; M307-C342 VanDerWaalsContact CE-SG 3.57Å; M307-C342 HydrophobicContact CG-CB 3.72Å; M307-C342 HydrophobicContact SD-CB 3.31Å; M307-C342 WeakPolarHBondContact SD-CB 3.49Å; M307-C342 VanDerWaalsContact SD-SG 3.63Å; C313-C342 WeakPolarHBondContact CA-SG 3.32Å; C313-C342 HydrophobicContact CB-CB 3.67Å; C313-C342 WeakPolarHBondContact CB-SG 3.44Å; C313-C342 VanDerWaalsContact SG-CA 3.51Å; C313-C342 WeakPolarHBondContact SG-CB 3.38Å; C313-C342 CovalentContact SG-SG 2.02Å; C313-C342 PolarHBondContact SG-SG 3.26Å; Y328-C342 HydrophobicContact CD2-CB 4.49Å; R340-C342 PolarHBondContact O-N 2.98Å
343	Y	97.4	Very high	87.5	Confident	41 Å²	41	47.3 Å²	47.3	16%	0.161	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116	176	-65.3	-89.3	0	0	0	109.7	D301 F304 Y326 T327 V329 R341	D301-Y343 HydrophobicContact CB-CD1 4.48Å; F304-Y343 HydrophobicContact CB-CD1 3.7Å; F304-Y343 HydrophobicContact CB-CE1 3.88Å; F304-Y343 HydrophobicContact CB-CG 4.16Å; F304-Y343 HydrophobicContact CD1-CE1 4.14Å; F304-Y343 HydrophobicContact CG-CE1 4.23Å; Y326-Y343 WeakPolarHBondContact CA-O 3.26Å; Y326-Y343 WeakPolarHBondContact CB-O 3.16Å; T327-Y343 PolarHBondContact N-O 3.18Å; T327-Y343 VanDerWaalsContact N-O 3.08Å; T327-Y343 PolarHBondContact O-N 3.28Å; V329-Y343 HydrophobicContact CG2-CD2 4.19Å; V329-Y343 HydrophobicContact CG2-CE2 3.76Å; R341-Y343 HydrophobicContact CB-CD2 4.14Å; R341-Y343 HydrophobicContact CB-CE2 3.55Å; R341-Y343 WeakPolarHBondContact CD-OH 3.4Å; R341-Y343 PolarHBondContact NH1-OH 3.48Å
344	L	95.9	Very high	87.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.3	175.9	-57.2	179	0	0	0	109.1	I302 R303 K316 C317 C323	I302-L344 WeakPolarHBondContact CB-O 3.47Å; I302-L344 PolarHBondContact N-O 2.93Å; R303-L344 HydrophobicContact CG-CD1 4.48Å; R303-L344 VanDerWaalsContact NH2-CD1 3.33Å; R303-L344 PolarHBondContact O-N 2.82Å; K316-L344 HydrophobicContact CG-CD1 4.07Å; K316-L344 HydrophobicContact CG-CD2 4.33Å; C317-L344 HydrophobicContact CB-CD2 3.86Å; C323-L344 HydrophobicContact CB-CB 4.44Å
345	K	93.6	Very high	87	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.4	-165.1	-58	161.3	-171.4	-87.9	0	112.5	F297 G299 S300 D301 Q324 F325 T327	F297-K345 HydrophobicContact CB-CD 4.45Å; F297-K345 VanDerWaalsContact O-CD 3.31Å; F297-K345 WeakPolarHBondContact O-CD 3.19Å; F297-K345 WeakPolarHBondContact O-CE 3.3Å; F297-K345 PolarHBondContact O-NZ 3.21Å; G299-K345 PolarHBondContact O-NZ 2.94Å; S300-K345 WeakPolarHBondContact O-CA 3.48Å; S300-K345 WeakPolarHBondContact O-CB 3.49Å; D301-K345 VanDerWaalsContact OD1-CE 3.32Å; D301-K345 WeakPolarHBondContact OD1-CE 3.46Å; D301-K345 WeakPolarHBondContact OD1-CG 3.34Å; D301-K345 IonicContact OD1-NZ 2.78Å; D301-K345 PolarHBondContact OD1-NZ 2.02Å; Q324-K345 PolarHBondContact N-O 2.83Å; F325-K345 HydrophobicContact CD2-CB 3.52Å; F325-K345 HydrophobicContact CD2-CD 3.63Å; F325-K345 HydrophobicContact CD2-CG 4.22Å; F325-K345 HydrophobicContact CE2-CB 3.34Å; F325-K345 HydrophobicContact CE2-CD 3.58Å; F325-K345 HydrophobicContact CE2-CG 4.07Å; F325-K345 HydrophobicContact CG-CB 4.26Å; F325-K345 HydrophobicContact CZ-CB 3.94Å; F325-K345 PolarHBondContact N-O 3.49Å; F325-K345 WeakPolarHBondContact O-CA 3.42Å; F325-K345 WeakPolarHBondContact O-CB 3.12Å; F325-K345 PolarHBondContact O-N 3.34Å; T327-K345 VanDerWaalsContact OG1-CE 3.29Å; T327-K345 WeakPolarHBondContact OG1-CE 3.38Å
346	R	89.6	Confident	87	Confident	22 Å²	22	42.9 Å²	42.9	8%	0.083	21%	0.209	C	C	.	.			trans	-152.9	144.2	175.8	179.6	174.8	-116.6	173.2	8.8	111.3	Q56 P58 S300 I302 P321 N322 Q324	Q56-R346 WeakPolarHBondContact O-CD 3.46Å; Q56-R346 WeakPolarHBondContact O-CG 3.5Å; Q56-R346 VanDerWaalsContact OE1-NE 3.14Å; P58-R346 WeakPolarHBondContact CB-O 3.29Å; P58-R346 VanDerWaalsContact CD-O 3.3Å; P58-R346 WeakPolarHBondContact CD-O 3.31Å; P58-R346 VanDerWaalsContact CG-O 3.23Å; P58-R346 WeakPolarHBondContact CG-O 3.35Å; S300-R346 WeakPolarHBondContact CB-O 3.23Å; S300-R346 PolarHBondContact O-N 2.65Å; I302-R346 HydrophobicContact CD1-CB 3.68Å; I302-R346 HydrophobicContact CG1-CB 4.11Å; P321-R346 PolarHBondContact O-NH2 3.29Å; N322-R346 VanDerWaalsContact O-CB 3.31Å; N322-R346 WeakPolarHBondContact O-CB 3.29Å; N322-R346 WeakPolarHBondContact O-CD 3.41Å; N322-R346 PolarHBondContact O-NE 3.12Å; N322-R346 PolarHBondContact OD1-NH1 3.39Å; Q324-R346 HydrophobicContact CG-CB 4.47Å; Q324-R346 HydrophobicContact CG-CG 4.04Å
347	V	83.9	Confident	87	Confident	9 Å²	9	35.4 Å²	35.4	6%	0.055	18%	0.183	C	C	.	.			trans	-114	156.9	169.5	-69.8	0	0	0	0	110.6	S300 Q324 F325 T349 P354	S300-V347 VanDerWaalsContact OG-CG1 3.27Å; S300-V347 WeakPolarHBondContact OG-CG1 3.44Å; Q324-V347 PolarHBondContact NE2-O 3.15Å; Q324-V347 VanDerWaalsContact OE1-CG2 3.24Å; Q324-V347 PolarHBondContact OE1-O 2.96Å; F325-V347 HydrophobicContact CE1-CG1 4.16Å; F325-V347 HydrophobicContact CE1-CG2 4.13Å; F325-V347 HydrophobicContact CZ-CG1 3.96Å; V347-T349 WeakPolarHBondContact CB-OG1 3.09Å; V347-T349 WeakPolarHBondContact CG2-OG1 2.97Å; V347-T349 PolarHBondContact O-N 3.38Å; V347-P354 HydrophobicContact CG1-CG 4.49Å
348	I	74.9	Confident	87	Confident	23 Å²	23	38.4 Å²	38.4	12%	0.118	19%	0.185	C	C	.	.	S	Bend	trans	-74.4	-9.1	169.5	-53.5	160.6	0	0	0	110.4	L42 L53 Q56 H57 L81 S176 V177	L42-I348 HydrophobicContact CD1-CD1 3.97Å; L53-I348 HydrophobicContact CD2-CG2 3.83Å; Q56-I348 HydrophobicContact CB-CB 4.44Å; Q56-I348 HydrophobicContact CB-CG1 4.22Å; Q56-I348 HydrophobicContact CB-CG2 4.3Å; H57-I348 HydrophobicContact CB-CD1 3.63Å; H57-I348 HydrophobicContact CB-CG1 3.84Å; H57-I348 VanDerWaalsContact CD2-CD1 3.4Å; H57-I348 WeakPolarHBondContact CD2-CD1 3.49Å; L81-I348 HydrophobicContact CD1-CD1 4.38Å; S176-I348 CarbonylContact C-O 3.56Å; V177-I348 HydrophobicContact CB-CG2 4Å; V177-I348 VanDerWaalsContact CB-O 3.23Å; V177-I348 WeakPolarHBondContact CB-O 3.25Å; V177-I348 HydrophobicContact CG2-CG2 4.41Å; V177-I348 WeakPolarHBondContact CG2-O 3.42Å; V177-I348 PolarHBondContact N-O 3.28Å
349	T	65.6	Low	87.1	Confident	38 Å²	38	40.8 Å²	40.8	23%	0.233	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-92.2	176.5	-178.9	55.8	0	0	0	0	113.1	W175 S176 V347	W175-T349 HydrophobicContact CB-CG2 4.38Å; W175-T349 CarbonylContact O-C 3.55Å; W175-T349 WeakPolarHBondContact O-CA 3.49Å; W175-T349 WeakPolarHBondContact O-CB 3.03Å; W175-T349 WeakPolarHBondContact O-CG2 3.32Å; S176-T349 WeakPolarHBondContact OG-CG2 2.99Å; V347-T349 WeakPolarHBondContact CB-OG1 3.09Å; V347-T349 WeakPolarHBondContact CG2-OG1 2.97Å; V347-T349 PolarHBondContact O-N 3.38Å
350	M	65.8	Low	87.1	Confident	58 Å²	58	40.2 Å²	40.2	29%	0.286	21%	0.207	S	C	.	.	S	Bend	trans	-44.8	139	154.7	-159	160.4	85.5	0	0	108.2	W175 V235 L236 A239 A352	W175-M350 HydrophobicContact CE3-CE 4.21Å; W175-M350 HydrophobicContact CZ3-CE 3.59Å; W175-M350 PolarHBondContact O-N 2.96Å; V235-M350 HydrophobicContact CG1-CE 4.45Å; L236-M350 HydrophobicContact CD2-CE 3.49Å; L236-M350 VanDerWaalsContact CD2-CE 3.49Å; A239-M350 HydrophobicContact CB-CE 3.61Å; A239-M350 HydrophobicContact CB-SD 3.73Å; M350-A352 PolarHBondContact O-N 2.7Å
351	P	60.6	Low	87	Confident	51 Å²	51	36.8 Å²	36.8	33%	0.331	20%	0.199	S	C	.	.	S	Bend	trans	-66	80.3	-170.7	26	-35.2	0	0	0	111.3	Q324	Q324-P351 HydrophobicContact CB-CB 4.36Å
352	A	74.9	Confident	87	Confident	11 Å²	11	33.9 Å²	33.9	9%	0.091	19%	0.188	C	C	.	.			trans	-118.6	117	170.8	0	0	0	0	0	105.7	L236 M350	L236-A352 HydrophobicContact CD2-CB 4.24Å; M350-A352 PolarHBondContact O-N 2.7Å
353	P	84.7	Confident	87	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.19	C	C	.	.			trans	-56	132.7	174.9	-23.2	33.3	0	0	0	109.3	V228 F297 F325 I355 V356 F366	V228-P353 HydrophobicContact CG1-CG 4.39Å; F297-P353 HydrophobicContact CB-CB 3.9Å; F297-P353 HydrophobicContact CB-CG 4.2Å; F297-P353 HydrophobicContact CD1-CB 4.25Å; F297-P353 HydrophobicContact CD1-CG 4.05Å; F297-P353 HydrophobicContact CD2-CB 4.3Å; F297-P353 HydrophobicContact CD2-CG 3.65Å; F297-P353 HydrophobicContact CE1-CG 4.41Å; F297-P353 HydrophobicContact CE2-CG 4.02Å; F297-P353 HydrophobicContact CG-CB 3.88Å; F297-P353 HydrophobicContact CG-CG 3.68Å; F297-P353 HydrophobicContact CZ-CG 4.41Å; F325-P353 HydrophobicContact CD2-CB 4.49Å; F325-P353 HydrophobicContact CD2-CG 4.32Å; F325-P353 HydrophobicContact CE2-CB 4.08Å; F325-P353 HydrophobicContact CE2-CG 4.34Å; F325-P353 HydrophobicContact CG-CG 4.44Å; F325-P353 HydrophobicContact CZ-CB 4.25Å; P353-I355 PolarHBondContact O-N 2.85Å; P353-V356 HydrophobicContact CB-CG2 3.8Å; P353-V356 HydrophobicContact CG-CG2 4.18Å; P353-F366 HydrophobicContact CG-CE1 4.09Å; P353-F366 HydrophobicContact CG-CZ 3.87Å
354	P	85.8	Confident	87	Confident	62 Å²	62	32.2 Å²	32.2	40%	0.403	18%	0.182	S	C	.	.	S	Bend	trans	-66	-28.1	-173.1	27.8	-35.5	0	0	0	111.9	R298 S300 V347	R298-P354 WeakPolarHBondContact O-CG 3.3Å; S300-P354 WeakPolarHBondContact OG-CG 3.04Å; V347-P354 HydrophobicContact CG1-CG 4.49Å
355	I	90.3	Very high	87	Confident	76 Å²	76	32.2 Å²	32.2	39%	0.39	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130	176.4	-59.6	173.8	0	0	0	107.3	F297 R298 P353	F297-I355 CarbonylContact C-O 3.58Å; F297-I355 WeakPolarHBondContact CA-O 3.46Å; R298-I355 HydrophobicContact CB-CB 3.97Å; R298-I355 HydrophobicContact CB-CG2 3.98Å; R298-I355 PolarHBondContact N-O 2.93Å; P353-I355 PolarHBondContact O-N 2.85Å
356	V	93.2	Very high	87	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.2	171.6	-175.7	0	0	0	0	106.9	K226 V228 F253 V295 D296 F297 P353	K226-V356 HydrophobicContact CB-CB 4.45Å; K226-V356 HydrophobicContact CB-CG2 4.01Å; V228-V356 HydrophobicContact CG1-CG1 4.07Å; V228-V356 HydrophobicContact CG1-CG2 3.84Å; F253-V356 HydrophobicContact CB-CB 3.84Å; F253-V356 HydrophobicContact CB-CG1 3.88Å; F253-V356 HydrophobicContact CD1-CG1 3.72Å; F253-V356 HydrophobicContact CD2-CB 4.32Å; F253-V356 HydrophobicContact CD2-CG1 3.77Å; F253-V356 HydrophobicContact CE1-CG1 4.13Å; F253-V356 HydrophobicContact CE2-CG1 4.15Å; F253-V356 HydrophobicContact CG-CB 4.04Å; F253-V356 HydrophobicContact CG-CG1 3.51Å; F253-V356 HydrophobicContact CZ-CG1 4.33Å; V295-V356 HydrophobicContact CG1-CG1 3.52Å; D296-V356 WeakPolarHBondContact O-CA 3.48Å; F297-V356 HydrophobicContact CD1-CG1 4.25Å; F297-V356 HydrophobicContact CD1-CG2 4.2Å; F297-V356 HydrophobicContact CE1-CG1 4.21Å; F297-V356 HydrophobicContact CE1-CG2 4.49Å; P353-V356 HydrophobicContact CB-CG2 3.8Å; P353-V356 HydrophobicContact CG-CG2 4.18Å
357	N	93.9	Very high	87	Confident	34 Å²	34	31.9 Å²	31.9	18%	0.182	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154	179	65.5	-83.8	0	0	0	111.8	V295 D296 R298 Q359	V295-N357 WeakPolarHBondContact CA-O 3.38Å; D296-N357 PolarHBondContact N-O 3.42Å; D296-N357 PolarHBondContact O-N 2.73Å; R298-N357 PolarHBondContact NH2-ND2 2.87Å; R298-N357 VanDerWaalsContact NH2-ND2 3.19Å; N357-Q359 PolarHBondContact O-N 3.35Å
358	K	95.1	Very high	87.3	Confident	125 Å²	125	33 Å²	33	54%	0.543	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.8	171.9	-57.8	-178.5	-177.6	167.5	0	108.4	D251 F253 G294	D251-K358 IonicContact OD1-NZ 3.73Å; F253-K358 HydrophobicContact CE2-CG 3.68Å; F253-K358 HydrophobicContact CZ-CG 4.15Å; G294-K358 WeakPolarHBondContact O-CA 3.17Å
359	Q	95.4	Very high	87.6	Confident	56 Å²	56	34.9 Å²	34.9	26%	0.262	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	115.8	179.3	-179.6	58.5	60.3	0	0	108.1	G294 D296 F333 N357 V362	G294-Q359 CarbonylContact C-O 3.54Å; G294-Q359 WeakPolarHBondContact CA-O 3.42Å; G294-Q359 CarbonylContact O-C 3.58Å; G294-Q359 PolarHBondContact O-N 3.24Å; D296-Q359 HydrophobicContact CB-CB 3.7Å; D296-Q359 HydrophobicContact CB-CG 4.23Å; F333-Q359 HydrophobicContact CE2-CG 3.86Å; N357-Q359 PolarHBondContact O-N 3.35Å; Q359-V362 HydrophobicContact CB-CG2 3.88Å; Q359-V362 HydrophobicContact CG-CG1 3.94Å; Q359-V362 HydrophobicContact CG-CG2 3.96Å; Q359-V362 WeakPolarHBondContact O-CG2 3.31Å
360	A	95.6	Very high	87.7	Confident	68 Å²	68	37.7 Å²	37.7	56%	0.562	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	153.4	176.6	0	0	0	0	0	111	V362	A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 PolarHBondContact O-N 3.16Å
361	S	96	Very high	87.5	Confident	28 Å²	28	36.1 Å²	36.1	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.3	27.7	172.9	-47	0	0	0	0	115	D330 N332	D330-S361 PolarHBondContact N-O 3.06Å; D330-S361 VanDerWaalsContact OD1-CB 3.26Å; D330-S361 WeakPolarHBondContact OD1-CB 3.21Å; D330-S361 VanDerWaalsContact OD2-C 3.31Å; D330-S361 WeakPolarHBondContact OD2-CA 3.36Å; N332-S361 VanDerWaalsContact C-CB 3.49Å; N332-S361 VanDerWaalsContact C-OG 3.29Å; N332-S361 WeakPolarHBondContact CB-OG 3.29Å; N332-S361 PolarHBondContact O-OG 2.89Å
362	V	97.1	Very high	87.1	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.2	171.6	-49.5	0	0	0	0	110.2	G294 D296 T327 Y328 V329 F333 Q359 A360	G294-V362 WeakPolarHBondContact CA-O 3.47Å; G294-V362 PolarHBondContact N-O 2.98Å; D296-V362 HydrophobicContact CB-CG2 4.01Å; T327-V362 HydrophobicContact CG2-CB 3.99Å; T327-V362 HydrophobicContact CG2-CG2 4.28Å; Y328-V362 CarbonylContact O-C 3.58Å; Y328-V362 WeakPolarHBondContact O-CA 3.38Å; Y328-V362 WeakPolarHBondContact O-CB 3.37Å; V329-V362 HydrophobicContact CB-CG1 4.5Å; V329-V362 HydrophobicContact CG1-CG1 4.42Å; V329-V362 HydrophobicContact CG2-CG1 4.02Å; F333-V362 HydrophobicContact CD2-CG1 3.76Å; F333-V362 HydrophobicContact CE2-CG1 3.77Å; Q359-V362 HydrophobicContact CB-CG2 3.88Å; Q359-V362 HydrophobicContact CG-CG1 3.94Å; Q359-V362 HydrophobicContact CG-CG2 3.96Å; Q359-V362 WeakPolarHBondContact O-CG2 3.31Å; A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 PolarHBondContact O-N 3.16Å
363	V	97.9	Very high	85.6	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.6	177.6	-170.2	0	0	0	0	108.8	E293 A310 T327 Y328	E293-V363 VanDerWaalsContact OE1-CG1 3.31Å; E293-V363 WeakPolarHBondContact OE1-CG1 3.37Å; E293-V363 WeakPolarHBondContact OE2-CG2 3.24Å; A310-V363 HydrophobicContact CB-CB 3.65Å; A310-V363 HydrophobicContact CB-CG1 3.72Å; A310-V363 HydrophobicContact CB-CG2 3.95Å; T327-V363 CarbonylContact C-O 3.41Å; T327-V363 WeakPolarHBondContact CA-O 3.06Å; Y328-V363 HydrophobicContact CD1-CG2 4.45Å; Y328-V363 PolarHBondContact N-O 2.71Å; Y328-V363 PolarHBondContact O-N 2.91Å
364	S	97.7	Very high	83.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	160.5	176.9	-58.5	0	0	0	0	112.3	Y292 V295 F297 Y326 T327	Y292-S364 PolarHBondContact N-O 2.75Å; Y292-S364 PolarHBondContact O-N 3.2Å; V295-S364 VanDerWaalsContact O-CB 3.27Å; V295-S364 WeakPolarHBondContact O-CB 3.45Å; V295-S364 PolarHBondContact O-OG 2.89Å; F297-S364 PolarHBondContact N-OG 3.31Å; Y326-S364 VanDerWaalsContact O-CA 3.24Å; Y326-S364 WeakPolarHBondContact O-CA 3.03Å; Y326-S364 WeakPolarHBondContact O-CB 3.35Å; T327-S364 WeakPolarHBondContact CB-OG 3.05Å; T327-S364 WeakPolarHBondContact CG2-OG 3.49Å; T327-S364 PolarHBondContact OG1-OG 3.46Å
365	G	95	Very high	80.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	171	177.9	0	0	0	0	0	112.3	F325 Y326	F325-G365 CarbonylContact C-O 3.6Å; F325-G365 VanDerWaalsContact CA-O 3.23Å; F325-G365 WeakPolarHBondContact CA-O 3.41Å; F325-G365 WeakPolarHBondContact CB-O 3.33Å; Y326-G365 WeakPolarHBondContact CD1-O 3.16Å; Y326-G365 VanDerWaalsContact CE1-C 3.5Å; Y326-G365 VanDerWaalsContact CE1-CA 3.5Å; Y326-G365 PolarHBondContact N-O 2.59Å; Y326-G365 PolarHBondContact O-N 3.39Å; Y326-G365 VanDerWaalsContact O-N 3.13Å
366	F	93.1	Very high	77.4	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.022	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	157.6	176.9	-66.1	-91.8	0	0	0	110.9	V228 W287 V288 Y292 F297 F325 P353	V228-F366 HydrophobicContact CG1-CE2 4.17Å; V228-F366 HydrophobicContact CG1-CZ 4.1Å; V228-F366 HydrophobicContact CG2-CE2 3.87Å; V228-F366 HydrophobicContact CG2-CZ 4.26Å; W287-F366 HydrophobicContact CE3-CD2 4.33Å; W287-F366 HydrophobicContact CE3-CE2 4.13Å; W287-F366 HydrophobicContact CZ3-CD1 4.41Å; W287-F366 HydrophobicContact CZ3-CD2 4.02Å; W287-F366 HydrophobicContact CZ3-CE1 4.18Å; W287-F366 AromaticContact CZ3-CE2 3.8Å; W287-F366 HydrophobicContact CZ3-CE2 3.8Å; W287-F366 HydrophobicContact CZ3-CG 4.33Å; W287-F366 AromaticContact CZ3-CZ 3.88Å; W287-F366 HydrophobicContact CZ3-CZ 3.88Å; V288-F366 HydrophobicContact CG1-CB 3.77Å; Y292-F366 HydrophobicContact CE2-CD2 4.24Å; Y292-F366 HydrophobicContact CE2-CE2 4.11Å; F297-F366 HydrophobicContact CE2-CD2 4.11Å; F297-F366 HydrophobicContact CE2-CE1 4.49Å; F297-F366 AromaticContact CE2-CE2 3.63Å; F297-F366 HydrophobicContact CE2-CE2 3.63Å; F297-F366 AromaticContact CE2-CZ 3.86Å; F297-F366 HydrophobicContact CE2-CZ 3.86Å; F297-F366 HydrophobicContact CZ-CD2 4.48Å; F297-F366 AromaticContact CZ-CE2 3.75Å; F297-F366 HydrophobicContact CZ-CE2 3.75Å; F297-F366 HydrophobicContact CZ-CZ 4.14Å; F325-F366 HydrophobicContact CB-CD1 3.89Å; F325-F366 HydrophobicContact CB-CE1 4.26Å; F325-F366 HydrophobicContact CB-CG 4.39Å; P353-F366 HydrophobicContact CG-CE1 4.09Å; P353-F366 HydrophobicContact CG-CZ 3.87Å
367	S	91.2	Very high	76.7	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.098	35%	0.347	C	S	.	.			trans	-68.7	134.4	169.9	-177.9	0	0	0	0	110.2	D318 Q324 R369	D318-S367 WeakPolarHBondContact OD1-CA 3.45Å; D318-S367 PolarHBondContact OD1-OG 2.85Å; Q324-S367 PolarHBondContact O-N 2.95Å; S367-R369 PolarHBondContact OG-N 2.9Å
368	L	88.4	Confident	75.7	Confident	31 Å²	31	62 Å²	62	16%	0.162	36%	0.355	C	S	.	.			trans	-95.5	6.9	177.9	-50.2	-176.2	0	0	0	112.6	V288 K289 D318 D370 C371 R372	V288-L368 HydrophobicContact CG1-CD2 4.12Å; V288-L368 WeakPolarHBondContact O-CD2 3.49Å; K289-L368 HydrophobicContact CG-CD2 4.25Å; D318-L368 PolarHBondContact OD1-N 2.79Å; L368-D370 VanDerWaalsContact C-N 3.29Å; L368-D370 PolarHBondContact O-N 2.95Å; L368-C371 WeakPolarHBondContact O-CB 3.32Å; L368-C371 PolarHBondContact O-N 2.97Å; L368-R372 PolarHBondContact O-N 3.23Å
369	R	82.3	Confident	74.7	Confident	63 Å²	63	58.5 Å²	58.5	24%	0.238	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-53.4	-45.9	-177.8	-178.2	179.3	59.7	-107.7	-8.5	112.1	D320 C323 S367 C371	D320-R369 PolarHBondContact O-NH1 3.04Å; C323-R369 PolarHBondContact O-NH1 3.03Å; C323-R369 PolarHBondContact O-NH2 2.95Å; S367-R369 PolarHBondContact OG-N 2.9Å; R369-C371 VanDerWaalsContact C-N 3.29Å; R369-C371 PolarHBondContact O-N 3.02Å
370	D	67.3	Low	73.4	Confident	97 Å²	97	58.6 Å²	58.6	52%	0.519	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-80.9	-8.6	-177.5	-60.2	-10.2	0	0	0	112.3	R112 L368 T373	R112-D370 IonicContact NH2-OD2 3.42Å; L368-D370 VanDerWaalsContact C-N 3.29Å; L368-D370 PolarHBondContact O-N 2.95Å; D370-T373 PolarHBondContact O-OG1 3.26Å
371	C	62.9	Low	72.1	Confident	25 Å²	25	58.1 Å²	58.1	17%	0.169	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-85.9	-16.6	174.9	-62.7	0	0	0	0	113.1	L368 R369 T373 S374	L368-C371 WeakPolarHBondContact O-CB 3.32Å; L368-C371 PolarHBondContact O-N 2.97Å; R369-C371 VanDerWaalsContact C-N 3.29Å; R369-C371 PolarHBondContact O-N 3.02Å; C371-T373 VanDerWaalsContact C-N 3.29Å; C371-T373 PolarHBondContact O-N 3.14Å; C371-S374 PolarHBondContact O-OG 3.44Å
372	R	51.5	Low	70.5	Confident	152 Å²	152	60.1 Å²	60.1	57%	0.574	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-75.8	-14.7	-175.9	-67.2	-178.2	-171.3	-175.8	4.8	113.5	D318 L368 S374	D318-R372 IonicContact OD2-CZ 3.61Å; D318-R372 IonicContact OD2-NH2 2.63Å; D318-R372 PolarHBondContact OD2-NH2 3.2Å; L368-R372 PolarHBondContact O-N 3.23Å; R372-S374 VanDerWaalsContact C-N 3.34Å
373	T	42.3	Very low	68.6	Low	113 Å²	113	64.1 Å²	64.1	69%	0.693	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-79.1	-10.6	178.7	41.3	0	0	0	0	114.2	D370 C371 L375	D370-T373 PolarHBondContact O-OG1 3.26Å; C371-T373 VanDerWaalsContact C-N 3.29Å; C371-T373 PolarHBondContact O-N 3.14Å; T373-L375 VanDerWaalsContact C-N 3.32Å; T373-L375 PolarHBondContact O-N 3.44Å
374	S	35.2	Very low	66.3	Low	71 Å²	71	68.6 Å²	68.6	50%	0.497	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-88.8	11.4	-179.2	69.7	0	0	0	0	114.5	C371 R372	C371-S374 PolarHBondContact O-OG 3.44Å; R372-S374 VanDerWaalsContact C-N 3.34Å
375	L	29.1	Very low	63.7	Low	161 Å²	161	74.3 Å²	74.3	84%	0.843	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-132.5	18.1	-175.8	-79	170.4	0	0	0	113.8	T373	T373-L375 VanDerWaalsContact C-N 3.32Å; T373-L375 PolarHBondContact O-N 3.44Å
376	A	26	Very low	60.8	Low	160 Å²	160	81.1 Å²	81.1	100%	1.322	47%	0.467	S	S	*	.			trans	-107.2	0	178.2	0	0	0	0	0	112.2

Retrieved 376 of 376 residues in 502.8 ms (Link to these results)

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