A0A077ZEG0_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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	39.5	Very low	40.6	Very low	243 Å²	243	181.5 Å²	181.5	100%	1.197	87%	0.869	S	S	*	*				0	85.5	0	-76.9	-144	-100.2	0	0	106
2	E	36.9	Very low	40.7	Very low	186 Å²	186	185.8 Å²	185.8	87%	0.869	87%	0.87	S	S	*	*			trans	-133.1	151.3	-173.2	-81	-172.5	156	0	0	109.8
3	P	42.6	Very low	40.3	Very low	109 Å²	109	176.4 Å²	176.4	71%	0.708	84%	0.837	S	S	*	*			trans	-96.6	132.7	-153.7	34.9	-27.8	0	0	0	112.5	C5	P3-C5 PolarHBondContact O-N 3.13Å
4	D	39.8	Very low	40.6	Very low	151 Å²	151	168.6 Å²	168.6	81%	0.807	82%	0.817	S	S	*	*			trans	-73.4	93.4	172	-75.3	-38.7	0	0	0	110.8
5	C	37.5	Very low	41.1	Very low	120 Å²	120	165.1 Å²	165.1	81%	0.811	82%	0.817	S	S	*	*			trans	-100.8	76.3	161.6	-70.3	0	0	0	0	109.6	P3 G7	P3-C5 PolarHBondContact O-N 3.13Å; C5-G7 PolarHBondContact O-N 3.22Å
6	Y	44.2	Very low	41.9	Very low	215 Å²	215	163.8 Å²	163.8	84%	0.843	81%	0.808	S	S	*	*			trans	-87.3	100.5	163.8	-87.1	-85.9	0	0	0	109.5	R8	Y6-R8 PolarHBondContact O-N 2.71Å
7	G	41.1	Very low	43	Very low	70 Å²	70	157.8 Å²	157.8	72%	0.722	79%	0.79	S	S	*	*			trans	-57.5	123.9	168.5	0	0	0	0	0	110.2	C5 R9	C5-G7 PolarHBondContact O-N 3.22Å; G7-R9 VanDerWaalsContact C-N 3.32Å; G7-R9 PolarHBondContact O-N 2.78Å
8	R	42.3	Very low	44.4	Very low	247 Å²	247	157.8 Å²	157.8	93%	0.932	78%	0.78	S	S	*	*			trans	-56.3	96.3	166.6	-87.1	-178.6	175.6	177	-1.3	108.8	Y6 M10	Y6-R8 PolarHBondContact O-N 2.71Å; R8-M10 PolarHBondContact O-N 3.29Å
9	R	42.8	Very low	46.1	Very low	240 Å²	240	154.7 Å²	154.7	91%	0.906	76%	0.761	S	S	*	*			trans	-63.3	103.9	162.2	-134.4	176.8	-175.1	-172.8	0.8	105.7	G7 R11	G7-R9 VanDerWaalsContact C-N 3.32Å; G7-R9 PolarHBondContact O-N 2.78Å; R9-R11 PolarHBondContact O-N 3.36Å
10	M	38.9	Very low	47.9	Very low	173 Å²	173	151.4 Å²	151.4	85%	0.852	74%	0.744	S	S	*	*			trans	-56.5	105.2	168.4	-86.4	-159.6	-156.6	0	0	107.4	R8 R12	R8-M10 PolarHBondContact O-N 3.29Å; M10-R12 VanDerWaalsContact C-N 3.26Å; M10-R12 PolarHBondContact O-N 3.49Å
11	R	41.1	Very low	49.5	Very low	242 Å²	242	144.4 Å²	144.4	91%	0.913	71%	0.71	S	S	*	*			trans	-63.3	96.2	155.6	-86.4	-176.7	165.1	-174.6	-5.8	105.6	R9 S13	R9-R11 PolarHBondContact O-N 3.36Å; R11-S13 PolarHBondContact O-N 3.21Å; R11-S13 VanDerWaalsContact O-N 3.15Å
12	R	41.3	Very low	51.6	Low	234 Å²	234	135.8 Å²	135.8	88%	0.883	67%	0.668	S	S	*	*			trans	-55.8	119.3	159.3	-85.9	-176.7	174.1	178.7	-1.8	105.2	M10 A14	M10-R12 VanDerWaalsContact C-N 3.26Å; M10-R12 PolarHBondContact O-N 3.49Å; R12-A14 PolarHBondContact O-N 2.82Å
13	S	36.6	Very low	53.8	Low	63 Å²	63	127.8 Å²	127.8	44%	0.441	63%	0.632	S	S	.	*			trans	-59.9	96.1	179	48.9	0	0	0	0	109.6	R11 S15 Q16	R11-S13 PolarHBondContact O-N 3.21Å; R11-S13 VanDerWaalsContact O-N 3.15Å; S13-S15 PolarHBondContact O-N 2.87Å; S13-S15 VanDerWaalsContact O-N 3.13Å; S13-Q16 PolarHBondContact O-N 2.95Å
14	A	44.5	Very low	55.9	Low	67 Å²	67	126.3 Å²	126.3	55%	0.554	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-54.3	-24.5	168.1	0	0	0	0	0	111.1	R12 Q16 A17	R12-A14 PolarHBondContact O-N 2.82Å; A14-Q16 PolarHBondContact O-N 3.25Å; A14-A17 WeakPolarHBondContact O-CB 3.38Å; A14-A17 PolarHBondContact O-N 2.81Å; A14-A17 VanDerWaalsContact O-N 3.13Å
15	S	47.2	Very low	58.1	Low	117 Å²	117	120.8 Å²	120.8	82%	0.818	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-64.3	-4.2	173.6	59.5	0	0	0	0	115.8	S13	S13-S15 PolarHBondContact O-N 2.87Å; S13-S15 VanDerWaalsContact O-N 3.13Å
16	Q	53.9	Low	60.4	Low	143 Å²	143	115.2 Å²	115.2	67%	0.668	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-111.3	6.5	175.4	-141.3	171	18.6	0	0	113.7	S13 A14 R18	S13-Q16 PolarHBondContact O-N 2.95Å; A14-Q16 PolarHBondContact O-N 3.25Å; Q16-R18 PolarHBondContact O-N 3.36Å
17	A	60.5	Low	62.4	Low	62 Å²	62	107.7 Å²	107.7	51%	0.512	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-62.6	116.1	169.4	0	0	0	0	0	108.9	A14 E377	A14-A17 WeakPolarHBondContact O-CB 3.38Å; A14-A17 PolarHBondContact O-N 2.81Å; A14-A17 VanDerWaalsContact O-N 3.13Å; A17-E377 WeakPolarHBondContact CB-OE2 3.47Å
18	R	68.8	Low	64.8	Low	159 Å²	159	109 Å²	109	60%	0.6	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-81.3	136.8	-177.1	-62.5	-176.4	-177.3	177.6	0.8	108.7	Q16 Q20 N117	Q16-R18 PolarHBondContact O-N 3.36Å; R18-Q20 PolarHBondContact O-N 2.86Å; R18-N117 WeakPolarHBondContact CD-ND2 3.25Å; R18-N117 PolarHBondContact NH1-ND2 3.14Å; R18-N117 PolarHBondContact NH1-OD1 3.31Å
19	K	77	Confident	67	Low	98 Å²	98	99 Å²	99	43%	0.426	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-57.9	124.7	168.6	-63.7	-170.8	179.6	-169	0	108.4	A374	K19-A374 HydrophobicContact CG-CB 4.41Å
20	Q	81.6	Confident	69	Low	89 Å²	89	90.2 Å²	90.2	42%	0.416	45%	0.453	S	S	.	.			trans	-134.1	135.8	179.3	-176.2	178.1	-21.1	0	0	107.9	R18 T114 A115	R18-Q20 PolarHBondContact O-N 2.86Å; Q20-T114 WeakPolarHBondContact CA-O 3.37Å; Q20-A115 HydrophobicContact CG-CB 4.43Å
21	V	82.2	Confident	71.4	Confident	4 Å²	4	86.4 Å²	86.4	2%	0.024	44%	0.435	C	S	.	.			trans	-98.6	115.1	168.1	-177.8	0	0	0	0	106.7	I76 T114 I353 M372	V21-I76 HydrophobicContact CG2-CD1 3.67Å; V21-I76 HydrophobicContact CG2-CG1 3.85Å; V21-I76 HydrophobicContact CG2-CG2 3.89Å; V21-T114 PolarHBondContact N-O 2.69Å; V21-T114 WeakPolarHBondContact O-CB 3.33Å; V21-I353 HydrophobicContact CB-CD1 4.05Å; V21-I353 HydrophobicContact CG1-CD1 3.98Å; V21-I353 HydrophobicContact CG1-CG1 4.32Å; V21-M372 HydrophobicContact CG2-CE 4.15Å; V21-M372 HydrophobicContact CG2-CG 4.18Å; V21-M372 HydrophobicContact CG2-SD 4.23Å
22	D	82	Confident	73.7	Confident	62 Å²	62	80.8 Å²	80.8	33%	0.332	42%	0.419	S	S	.	.			trans	-117.5	114.6	-178.8	-172.6	0.5	0	0	0	110.4	T24 S25	D22-T24 WeakPolarHBondContact OD1-CB 3.41Å; D22-T24 VanDerWaalsContact OD1-CG2 3.28Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.03Å; D22-T24 PolarHBondContact OD1-N 3.09Å; D22-T24 PolarHBondContact OD1-OG1 2.81Å; D22-T24 PolarHBondContact OD2-OG1 2.75Å; D22-S25 PolarHBondContact O-OG 3.41Å
23	V	83.7	Confident	75.8	Confident	18 Å²	18	72.5 Å²	72.5	11%	0.109	39%	0.388	C	S	.	.			trans	-84.7	-17.2	-177.6	-158.1	0	0	0	0	111.9	S25 S26 I27 L350 H352	V23-S25 VanDerWaalsContact C-N 3.26Å; V23-S25 PolarHBondContact O-N 3.36Å; V23-S26 VanDerWaalsContact CG1-OG 3.29Å; V23-S26 WeakPolarHBondContact CG1-OG 3.49Å; V23-S26 PolarHBondContact O-N 2.89Å; V23-S26 VanDerWaalsContact O-N 3.08Å; V23-S26 PolarHBondContact O-OG 3.01Å; V23-I27 HydrophobicContact CB-CD1 4.16Å; V23-I27 HydrophobicContact CG1-CD1 3.73Å; V23-I27 HydrophobicContact CG1-CG1 3.98Å; V23-I27 PolarHBondContact O-N 3.15Å; V23-L350 HydrophobicContact CB-CD1 4.31Å; V23-L350 HydrophobicContact CG1-CD1 3.92Å; V23-L350 HydrophobicContact CG2-CD1 4.34Å; V23-H352 VanDerWaalsContact CG2-CD2 3.48Å; V23-H352 WeakPolarHBondContact CG2-CD2 3.37Å; V23-H352 WeakPolarHBondContact CG2-CE1 3.09Å; V23-H352 WeakPolarHBondContact CG2-NE2 3.39Å
24	T	86.9	Confident	78.1	Confident	79 Å²	79	77.7 Å²	77.7	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-57.1	-41.7	-173.5	58.5	0	0	0	0	111.8	D22 I27 L28	D22-T24 WeakPolarHBondContact OD1-CB 3.41Å; D22-T24 VanDerWaalsContact OD1-CG2 3.28Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.03Å; D22-T24 PolarHBondContact OD1-N 3.09Å; D22-T24 PolarHBondContact OD1-OG1 2.81Å; D22-T24 PolarHBondContact OD2-OG1 2.75Å; T24-I27 PolarHBondContact O-N 3.23Å; T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.42Å; T24-L28 PolarHBondContact O-N 3.09Å
25	S	85.5	Confident	80.1	Confident	34 Å²	34	81.6 Å²	81.6	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-56.7	-52.1	174.6	59	0	0	0	0	112.4	D22 V23 I27 L28 N29	D22-S25 PolarHBondContact O-OG 3.41Å; V23-S25 VanDerWaalsContact C-N 3.26Å; V23-S25 PolarHBondContact O-N 3.36Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 3.47Å; S25-L28 PolarHBondContact O-N 2.83Å; S25-N29 VanDerWaalsContact O-CG 3.29Å; S25-N29 PolarHBondContact O-N 2.96Å; S25-N29 PolarHBondContact O-ND2 3.03Å
26	S	85.9	Confident	81.8	Confident	3 Å²	3	84.1 Å²	84.1	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-39.7	179.3	69.6	0	0	0	0	113	V23 N29 Y30 T57 P59	V23-S26 VanDerWaalsContact CG1-OG 3.29Å; V23-S26 WeakPolarHBondContact CG1-OG 3.49Å; V23-S26 PolarHBondContact O-N 2.89Å; V23-S26 VanDerWaalsContact O-N 3.08Å; V23-S26 PolarHBondContact O-OG 3.01Å; S26-N29 PolarHBondContact O-N 3.13Å; S26-Y30 PolarHBondContact O-N 2.72Å; S26-T57 VanDerWaalsContact CA-O 3.29Å; S26-T57 WeakPolarHBondContact CA-O 3.47Å; S26-T57 WeakPolarHBondContact CB-O 3.41Å; S26-P59 VanDerWaalsContact O-CD 3.27Å; S26-P59 WeakPolarHBondContact O-CD 3.49Å
27	I	87.6	Confident	82.9	Confident	57 Å²	57	77.6 Å²	77.6	29%	0.292	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-40.9	177.9	-69.3	163	0	0	0	110.8	V23 T24 S25 Y30 I31 P59 L350	V23-I27 HydrophobicContact CB-CD1 4.16Å; V23-I27 HydrophobicContact CG1-CD1 3.73Å; V23-I27 HydrophobicContact CG1-CG1 3.98Å; V23-I27 PolarHBondContact O-N 3.15Å; T24-I27 PolarHBondContact O-N 3.23Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 3.47Å; I27-Y30 WeakPolarHBondContact O-CB 3.5Å; I27-Y30 PolarHBondContact O-N 2.87Å; I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.43Å; I27-P59 HydrophobicContact CG1-CG 4.47Å; I27-L350 HydrophobicContact CD1-CD1 4.12Å
28	L	90.7	Very high	83.5	Confident	98 Å²	98	77.6 Å²	77.6	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-46.2	176	-73.5	171.2	0	0	0	111	T24 S25 Y30 I31 E32	T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.42Å; T24-L28 PolarHBondContact O-N 3.09Å; S25-L28 PolarHBondContact O-N 2.83Å; L28-Y30 VanDerWaalsContact C-N 3.26Å; L28-Y30 PolarHBondContact O-N 3.07Å; L28-I31 PolarHBondContact O-N 3.15Å; L28-I31 VanDerWaalsContact O-N 3.14Å; L28-E32 WeakPolarHBondContact O-CG 3.3Å; L28-E32 PolarHBondContact O-N 3.4Å
29	N	87.4	Confident	83.5	Confident	38 Å²	38	74.2 Å²	74.2	20%	0.203	36%	0.36	C	S	.	.	H	α-helix	trans	-56	-42.9	174.2	-65.5	-22.7	0	0	0	111.8	S25 S26 R33 P55 T57 F58	S25-N29 VanDerWaalsContact O-CG 3.29Å; S25-N29 PolarHBondContact O-N 2.96Å; S25-N29 PolarHBondContact O-ND2 3.03Å; S26-N29 PolarHBondContact O-N 3.13Å; N29-R33 VanDerWaalsContact O-CB 3.23Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 PolarHBondContact O-N 3.36Å; N29-P55 PolarHBondContact ND2-O 3.41Å; N29-T57 PolarHBondContact ND2-O 2.67Å; N29-F58 HydrophobicContact CB-CD1 4.1Å; N29-F58 HydrophobicContact CB-CE1 3.8Å
30	Y	86.2	Confident	83.1	Confident	55 Å²	55	75.3 Å²	75.3	22%	0.216	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-44.8	176.9	172	-121.3	0	0	0	112.6	S26 I27 L28 R33 R34 F45 P59 C62	S26-Y30 PolarHBondContact O-N 2.72Å; I27-Y30 WeakPolarHBondContact O-CB 3.5Å; I27-Y30 PolarHBondContact O-N 2.87Å; L28-Y30 VanDerWaalsContact C-N 3.26Å; L28-Y30 PolarHBondContact O-N 3.07Å; Y30-R33 PolarHBondContact O-N 2.8Å; Y30-R34 VanDerWaalsContact O-CB 3.27Å; Y30-R34 WeakPolarHBondContact O-CB 2.94Å; Y30-R34 PolarHBondContact O-N 3.31Å; Y30-F45 HydrophobicContact CE2-CE2 4.4Å; Y30-F45 HydrophobicContact CE2-CZ 4.39Å; Y30-P59 HydrophobicContact CD1-CG 4.38Å; Y30-P59 HydrophobicContact CG-CG 4.22Å; Y30-C62 WeakPolarHBondContact CD2-SG 3.09Å; Y30-C62 WeakPolarHBondContact CE2-SG 3.33Å; Y30-C62 VanDerWaalsContact CG-SG 3.58Å
31	I	89.2	Confident	82.3	Confident	93 Å²	93	80.6 Å²	80.6	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-46.4	178.5	-68.5	166.8	0	0	0	110.4	I27 L28 R33 R34	I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.43Å; L28-I31 PolarHBondContact O-N 3.15Å; L28-I31 VanDerWaalsContact O-N 3.14Å; I31-R33 VanDerWaalsContact C-N 3.34Å; I31-R33 PolarHBondContact O-N 3.44Å; I31-R34 PolarHBondContact O-N 3.13Å
32	E	89.6	Confident	81.4	Confident	123 Å²	123	85.7 Å²	85.7	58%	0.575	42%	0.415	S	S	*	.	H	α-helix	trans	-62	-42.4	178.3	-72.8	-175.6	175.9	0	0	111.7	L28 L35 W36	L28-E32 WeakPolarHBondContact O-CG 3.3Å; L28-E32 PolarHBondContact O-N 3.4Å; E32-L35 WeakPolarHBondContact O-CB 3.22Å; E32-L35 PolarHBondContact O-N 2.83Å; E32-W36 VanDerWaalsContact O-CD1 3.3Å; E32-W36 PolarHBondContact O-NE1 3.46Å
33	R	84.3	Confident	80.8	Confident	61 Å²	61	84.6 Å²	84.6	23%	0.23	42%	0.418	C	S	.	.	H	α-helix	trans	-71.5	-38.6	-178.7	-163.1	166.1	170	157.1	-2.2	112.8	N29 Y30 I31 L35 W36 D37 F45 F58	N29-R33 VanDerWaalsContact O-CB 3.23Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 PolarHBondContact O-N 3.36Å; Y30-R33 PolarHBondContact O-N 2.8Å; I31-R33 VanDerWaalsContact C-N 3.34Å; I31-R33 PolarHBondContact O-N 3.44Å; R33-L35 PolarHBondContact O-N 3.31Å; R33-L35 VanDerWaalsContact O-N 3.09Å; R33-W36 HydrophobicContact CG-CH2 4.17Å; R33-W36 HydrophobicContact CG-CZ2 3.7Å; R33-W36 PolarHBondContact O-N 2.79Å; R33-W36 VanDerWaalsContact O-N 3.17Å; R33-D37 HydrophobicContact CG-CB 3.84Å; R33-D37 IonicContact CZ-OD2 3.73Å; R33-D37 IonicContact NE-OD2 3.76Å; R33-D37 PolarHBondContact NE-OD2 2.88Å; R33-D37 IonicContact NH2-OD2 3.3Å; R33-D37 PolarHBondContact NH2-OD2 2.88Å; R33-D37 WeakPolarHBondContact O-CB 3.15Å; R33-D37 PolarHBondContact O-N 3.37Å; R33-F45 HydrophobicContact CB-CE1 4.29Å; R33-F45 HydrophobicContact CG-CD1 4.29Å; R33-F45 HydrophobicContact CG-CE1 3.75Å; R33-F58 HydrophobicContact CB-CE1 4.16Å; R33-F58 VanDerWaalsContact CD-CZ 3.48Å
34	R	84.5	Confident	80	Confident	171 Å²	171	87.5 Å²	87.5	65%	0.645	43%	0.433	S	S	*	.	H	α-helix	trans	-59.6	-22	177.4	-173.3	176.9	178.9	-169.3	2.3	113.6	Y30 I31 W36	Y30-R34 VanDerWaalsContact O-CB 3.27Å; Y30-R34 WeakPolarHBondContact O-CB 2.94Å; Y30-R34 PolarHBondContact O-N 3.31Å; I31-R34 PolarHBondContact O-N 3.13Å; R34-W36 VanDerWaalsContact C-N 3.29Å; R34-W36 PolarHBondContact O-N 2.84Å
35	L	87	Confident	79.3	Confident	149 Å²	149	84.6 Å²	84.6	78%	0.78	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30	178.5	-69.9	170.1	0	0	0	113.2	E32 R33	E32-L35 WeakPolarHBondContact O-CB 3.22Å; E32-L35 PolarHBondContact O-N 2.83Å; R33-L35 PolarHBondContact O-N 3.31Å; R33-L35 VanDerWaalsContact O-N 3.09Å
36	W	84.1	Confident	78.6	Confident	170 Å²	170	88.3 Å²	88.3	64%	0.644	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-18.2	-174.4	58.9	-93.1	0	0	0	113.7	E32 R33 R34	E32-W36 VanDerWaalsContact O-CD1 3.3Å; E32-W36 PolarHBondContact O-NE1 3.46Å; R33-W36 HydrophobicContact CG-CH2 4.17Å; R33-W36 HydrophobicContact CG-CZ2 3.7Å; R33-W36 PolarHBondContact O-N 2.79Å; R33-W36 VanDerWaalsContact O-N 3.17Å; R34-W36 VanDerWaalsContact C-N 3.29Å; R34-W36 PolarHBondContact O-N 2.84Å
37	D	77	Confident	78.2	Confident	7 Å²	7	90.3 Å²	90.3	4%	0.037	45%	0.447	C	S	.	.			trans	-88.4	113.5	179.8	-156.4	-12.4	0	0	0	110.5	R33 P39 H42 F45	R33-D37 HydrophobicContact CG-CB 3.84Å; R33-D37 IonicContact CZ-OD2 3.73Å; R33-D37 IonicContact NE-OD2 3.76Å; R33-D37 PolarHBondContact NE-OD2 2.88Å; R33-D37 IonicContact NH2-OD2 3.3Å; R33-D37 PolarHBondContact NH2-OD2 2.88Å; R33-D37 WeakPolarHBondContact O-CB 3.15Å; R33-D37 PolarHBondContact O-N 3.37Å; D37-P39 WeakPolarHBondContact O-CD 3.31Å; D37-H42 WeakPolarHBondContact OD1-CB 3.4Å; D37-H42 IonicContact OD1-CE1 2.78Å; D37-H42 IonicContact OD1-CG 3.51Å; D37-H42 IonicContact OD1-ND1 3.36Å; D37-H42 PolarHBondContact OD1-ND1 2.98Å; D37-F45 HydrophobicContact CB-CE1 4.45Å
38	D	72.8	Confident	78	Confident	62 Å²	62	93.3 Å²	93.3	33%	0.332	46%	0.459	S	S	.	.			trans	-83.5	113.8	168.2	-175.8	-12.9	0	0	0	108	T40 R41 H42	D38-T40 PolarHBondContact O-N 3.38Å; D38-T40 PolarHBondContact OD1-N 3.14Å; D38-T40 VanDerWaalsContact OD1-N 3.15Å; D38-T40 PolarHBondContact OD1-OG1 2.84Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å; D38-R41 HydrophobicContact CB-CB 4.32Å; D38-R41 HydrophobicContact CB-CG 4.13Å; D38-R41 PolarHBondContact O-N 2.99Å; D38-R41 IonicContact OD2-NE 3.56Å; D38-H42 PolarHBondContact O-N 3.11Å
39	P	69	Low	77.5	Confident	88 Å²	88	95.4 Å²	95.4	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-55.9	-27.8	-176.6	-23	31.7	0	0	0	112.9	D37 R41	D37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 2.76Å
40	T	68.4	Low	77.2	Confident	120 Å²	120	98.6 Å²	98.6	74%	0.736	49%	0.493	S	S	*	.	H	α-helix	trans	-72	-20.8	179.7	65.9	0	0	0	0	113.2	D38	D38-T40 PolarHBondContact O-N 3.38Å; D38-T40 PolarHBondContact OD1-N 3.14Å; D38-T40 VanDerWaalsContact OD1-N 3.15Å; D38-T40 PolarHBondContact OD1-OG1 2.84Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å
41	R	64.8	Low	77	Confident	200 Å²	200	101.3 Å²	101.3	76%	0.755	51%	0.51	S	S	*	.	H	α-helix	trans	-102	-39.3	-173.1	-65.5	-173.3	-176.4	-158.1	-2.9	114.1	D38 P39	D38-R41 HydrophobicContact CB-CB 4.32Å; D38-R41 HydrophobicContact CB-CG 4.13Å; D38-R41 PolarHBondContact O-N 2.99Å; D38-R41 IonicContact OD2-NE 3.56Å; P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 2.76Å
42	H	63.3	Low	76.7	Confident	112 Å²	112	103.2 Å²	103.2	52%	0.519	52%	0.52	S	S	.	.	H	α-helix	trans	-104.3	1.2	-171.6	-54	96.6	0	0	0	114.1	D37 D38	D37-H42 WeakPolarHBondContact OD1-CB 3.4Å; D37-H42 IonicContact OD1-CE1 2.78Å; D37-H42 IonicContact OD1-CG 3.51Å; D37-H42 IonicContact OD1-ND1 3.36Å; D37-H42 PolarHBondContact OD1-ND1 2.98Å; D38-H42 PolarHBondContact O-N 3.11Å
43	G	68	Low	76.5	Confident	39 Å²	39	100 Å²	100	40%	0.402	51%	0.505	S	S	.	.			trans	72	-165.3	179.8	0	0	0	0	0	112.6
44	N	68.4	Low	76.2	Confident	79 Å²	79	97.9 Å²	97.9	42%	0.422	50%	0.5	S	S	.	.	S	Bend	trans	-67.6	148.4	-178.2	-65.4	-11.2	0	0	0	111.1	V46	N44-V46 PolarHBondContact O-N 3.07Å; N44-V46 VanDerWaalsContact O-N 3.12Å
45	F	71.8	Confident	76.1	Confident	18 Å²	18	92.6 Å²	92.6	8%	0.079	49%	0.488	C	S	.	.			trans	-66.8	110.1	172.9	-58.7	-87.5	0	0	0	108.8	Y30 R33 D37 F58 C62	Y30-F45 HydrophobicContact CE2-CE2 4.4Å; Y30-F45 HydrophobicContact CE2-CZ 4.39Å; R33-F45 HydrophobicContact CB-CE1 4.29Å; R33-F45 HydrophobicContact CG-CD1 4.29Å; R33-F45 HydrophobicContact CG-CE1 3.75Å; D37-F45 HydrophobicContact CB-CE1 4.45Å; F45-F58 HydrophobicContact CB-CB 4.43Å; F45-F58 HydrophobicContact CB-CD2 3.83Å; F45-F58 HydrophobicContact CB-CE2 4.34Å; F45-F58 HydrophobicContact CB-CG 4.08Å; F45-F58 HydrophobicContact CD1-CD1 4.41Å; F45-F58 HydrophobicContact CD1-CE1 4.37Å; F45-F58 HydrophobicContact CD1-CZ 4.47Å; F45-C62 HydrophobicContact CB-CB 4.02Å; F45-C62 HydrophobicContact CD2-CB 3.41Å; F45-C62 VanDerWaalsContact CD2-CB 3.41Å; F45-C62 WeakPolarHBondContact CD2-O 2.84Å; F45-C62 HydrophobicContact CE2-CB 4.06Å; F45-C62 HydrophobicContact CG-CB 3.88Å
46	V	71.7	Confident	75.8	Confident	112 Å²	112	90.5 Å²	90.5	68%	0.679	47%	0.474	S	S	*	.			trans	-118.3	130	177.5	-179.9	0	0	0	0	108.8	N44	N44-V46 PolarHBondContact O-N 3.07Å; N44-V46 VanDerWaalsContact O-N 3.12Å
47	T	77.2	Confident	75.7	Confident	45 Å²	45	83 Å²	83	28%	0.276	45%	0.447	S	S	.	.			trans	-93.4	147.6	170	54.6	0	0	0	0	110.5	E56 F58	T47-E56 WeakPolarHBondContact CG2-O 3.42Å; T47-F58 HydrophobicContact CG2-CD2 3.99Å; T47-F58 HydrophobicContact CG2-CE2 4.14Å
48	Q	82	Confident	76.1	Confident	119 Å²	119	83.7 Å²	83.7	56%	0.556	45%	0.449	S	S	*	.			trans	-70.4	141.7	175.3	-65.5	-171.5	5.6	0	0	109.9	H50 F53	Q48-H50 PolarHBondContact O-N 2.8Å; Q48-F53 HydrophobicContact CB-CB 4.49Å; Q48-F53 HydrophobicContact CB-CD1 4.44Å; Q48-F53 HydrophobicContact CB-CD2 3.59Å; Q48-F53 HydrophobicContact CB-CE2 3.8Å; Q48-F53 HydrophobicContact CB-CG 3.93Å; Q48-F53 HydrophobicContact CB-CZ 4.32Å; Q48-F53 HydrophobicContact CG-CD2 4.44Å; Q48-F53 HydrophobicContact CG-CE2 4.3Å; Q48-F53 HydrophobicContact CG-CZ 4.35Å
49	P	81.4	Confident	76.6	Confident	143 Å²	143	81.3 Å²	81.3	93%	0.929	44%	0.438	S	S	*	.	S	Bend	trans	-77.7	60.3	-176.7	34.1	-37.4	0	0	0	111.2
50	H	81.5	Confident	77.2	Confident	105 Å²	105	77.5 Å²	77.5	49%	0.486	41%	0.412	S	S	.	.	S	Bend	trans	-144.3	140.8	178.4	-172.5	-82.4	0	0	0	109.9	Q48 L52 F53	Q48-H50 PolarHBondContact O-N 2.8Å; H50-L52 VanDerWaalsContact CE1-CD1 3.47Å; H50-L52 WeakPolarHBondContact CE1-CD1 3.49Å; H50-L52 VanDerWaalsContact CE1-CG 3.48Å; H50-L52 WeakPolarHBondContact CE1-CG 3.44Å; H50-L52 WeakPolarHBondContact ND1-CB 3.43Å; H50-L52 WeakPolarHBondContact ND1-CG 3.5Å; H50-L52 PolarHBondContact ND1-N 3.12Å; H50-L52 PolarHBondContact O-N 3.07Å; H50-F53 HydrophobicContact CB-CD2 3.99Å; H50-F53 HydrophobicContact CB-CE2 4.36Å; H50-F53 PolarHBondContact O-N 2.9Å
51	I	80.4	Confident	77.6	Confident	112 Å²	112	75.5 Å²	75.5	57%	0.574	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-56.1	-29.6	-173	-169.5	164	0	0	0	113.8	F53 A54	I51-F53 PolarHBondContact O-N 2.79Å; I51-A54 WeakPolarHBondContact O-CB 3.42Å; I51-A54 PolarHBondContact O-N 3.23Å; I51-A54 VanDerWaalsContact O-N 3.12Å
52	L	84.5	Confident	77.9	Confident	133 Å²	133	66.4 Å²	66.4	70%	0.696	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.8	176.9	-67.7	173.1	0	0	0	113.7	H50 P55	H50-L52 VanDerWaalsContact CE1-CD1 3.47Å; H50-L52 WeakPolarHBondContact CE1-CD1 3.49Å; H50-L52 VanDerWaalsContact CE1-CG 3.48Å; H50-L52 WeakPolarHBondContact CE1-CG 3.44Å; H50-L52 WeakPolarHBondContact ND1-CB 3.43Å; H50-L52 WeakPolarHBondContact ND1-CG 3.5Å; H50-L52 PolarHBondContact ND1-N 3.12Å; H50-L52 PolarHBondContact O-N 3.07Å; L52-P55 WeakPolarHBondContact O-CD 3.44Å
53	F	83.6	Confident	77.9	Confident	56 Å²	56	61.1 Å²	61.1	25%	0.246	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-93.3	5.7	177.9	-61.4	-85.7	0	0	0	112.8	Q48 H50 I51 P55 E56	Q48-F53 HydrophobicContact CB-CB 4.49Å; Q48-F53 HydrophobicContact CB-CD1 4.44Å; Q48-F53 HydrophobicContact CB-CD2 3.59Å; Q48-F53 HydrophobicContact CB-CE2 3.8Å; Q48-F53 HydrophobicContact CB-CG 3.93Å; Q48-F53 HydrophobicContact CB-CZ 4.32Å; Q48-F53 HydrophobicContact CG-CD2 4.44Å; Q48-F53 HydrophobicContact CG-CE2 4.3Å; Q48-F53 HydrophobicContact CG-CZ 4.35Å; H50-F53 HydrophobicContact CB-CD2 3.99Å; H50-F53 HydrophobicContact CB-CE2 4.36Å; H50-F53 PolarHBondContact O-N 2.9Å; I51-F53 PolarHBondContact O-N 2.79Å; F53-P55 VanDerWaalsContact C-N 3.32Å; F53-E56 WeakPolarHBondContact CD1-OE2 3.49Å; F53-E56 WeakPolarHBondContact O-CA 3.42Å; F53-E56 WeakPolarHBondContact O-CB 3.47Å; F53-E56 PolarHBondContact O-N 2.88Å
54	A	79.3	Confident	77.9	Confident	16 Å²	16	61.4 Å²	61.4	13%	0.132	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-56.5	-35.3	172.2	0	0	0	0	0	114.3	I51 E56 T57	I51-A54 WeakPolarHBondContact O-CB 3.42Å; I51-A54 PolarHBondContact O-N 3.23Å; I51-A54 VanDerWaalsContact O-N 3.12Å; A54-E56 PolarHBondContact O-N 2.97Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.46Å; A54-T57 PolarHBondContact O-N 3.27Å; A54-T57 PolarHBondContact O-OG1 2.89Å
55	P	81.8	Confident	77.8	Confident	60 Å²	60	64.8 Å²	64.8	39%	0.39	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.9	172.2	-15.4	27.6	0	0	0	113.9	N29 L52 F53 T57	N29-P55 PolarHBondContact ND2-O 3.41Å; L52-P55 WeakPolarHBondContact O-CD 3.44Å; F53-P55 VanDerWaalsContact C-N 3.32Å; P55-T57 VanDerWaalsContact C-N 3.33Å
56	E	81.3	Confident	77.6	Confident	104 Å²	104	66.9 Å²	66.9	49%	0.486	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-95.1	16.4	-177.5	-60.1	-173.6	-179.9	0	0	112.2	T47 F53 A54 F58	T47-E56 WeakPolarHBondContact CG2-O 3.42Å; F53-E56 WeakPolarHBondContact CD1-OE2 3.49Å; F53-E56 WeakPolarHBondContact O-CA 3.42Å; F53-E56 WeakPolarHBondContact O-CB 3.47Å; F53-E56 PolarHBondContact O-N 2.88Å; A54-E56 PolarHBondContact O-N 2.97Å; E56-F58 WeakPolarHBondContact O-CD2 3.23Å; E56-F58 WeakPolarHBondContact O-CE2 3.45Å
57	T	82.5	Confident	77.6	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.08	35%	0.345	C	S	.	.			trans	-66.5	152.1	176.6	59.7	0	0	0	0	111.8	S26 N29 A54 P55 N371	S26-T57 VanDerWaalsContact CA-O 3.29Å; S26-T57 WeakPolarHBondContact CA-O 3.47Å; S26-T57 WeakPolarHBondContact CB-O 3.41Å; N29-T57 PolarHBondContact ND2-O 2.67Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.46Å; A54-T57 PolarHBondContact O-N 3.27Å; A54-T57 PolarHBondContact O-OG1 2.89Å; P55-T57 VanDerWaalsContact C-N 3.33Å; T57-N371 VanDerWaalsContact CB-OD1 3.25Å; T57-N371 WeakPolarHBondContact CB-OD1 3.18Å; T57-N371 WeakPolarHBondContact CG2-OD1 3.24Å; T57-N371 PolarHBondContact OG1-OD1 3Å; T57-N371 VanDerWaalsContact OG1-OD1 3.05Å
58	F	83.6	Confident	77.6	Confident	21 Å²	21	63.7 Å²	63.7	9%	0.092	36%	0.362	C	S	.	.			trans	-117.4	152.8	179.2	-62.7	-76.5	0	0	0	109.5	N29 R33 F45 T47 E56 C62	N29-F58 HydrophobicContact CB-CD1 4.1Å; N29-F58 HydrophobicContact CB-CE1 3.8Å; R33-F58 HydrophobicContact CB-CE1 4.16Å; R33-F58 VanDerWaalsContact CD-CZ 3.48Å; F45-F58 HydrophobicContact CB-CB 4.43Å; F45-F58 HydrophobicContact CB-CD2 3.83Å; F45-F58 HydrophobicContact CB-CE2 4.34Å; F45-F58 HydrophobicContact CB-CG 4.08Å; F45-F58 HydrophobicContact CD1-CD1 4.41Å; F45-F58 HydrophobicContact CD1-CE1 4.37Å; F45-F58 HydrophobicContact CD1-CZ 4.47Å; T47-F58 HydrophobicContact CG2-CD2 3.99Å; T47-F58 HydrophobicContact CG2-CE2 4.14Å; E56-F58 WeakPolarHBondContact O-CD2 3.23Å; E56-F58 WeakPolarHBondContact O-CE2 3.45Å; F58-C62 HydrophobicContact CB-CB 3.96Å
59	P	83.4	Confident	77.3	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.084	35%	0.349	C	S	.	.			trans	-68.7	152.2	172.7	29.9	-34.4	0	0	0	109.9	S26 I27 Y30 V61 C62	S26-P59 VanDerWaalsContact O-CD 3.27Å; S26-P59 WeakPolarHBondContact O-CD 3.49Å; I27-P59 HydrophobicContact CG1-CG 4.47Å; Y30-P59 HydrophobicContact CD1-CG 4.38Å; Y30-P59 HydrophobicContact CG-CG 4.22Å; P59-V61 PolarHBondContact O-N 3.41Å; P59-C62 WeakPolarHBondContact O-CB 3.33Å; P59-C62 PolarHBondContact O-N 3.17Å; P59-C62 PolarHBondContact O-SG 3.47Å
60	I	81.5	Confident	77.3	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.041	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.3	-23.9	-176.1	-70	163.6	0	0	0	113.9	C62 S63 C70 M72 Q307 G351 H352	I60-C62 PolarHBondContact O-N 2.72Å; I60-S63 PolarHBondContact O-N 3.5Å; I60-S63 PolarHBondContact O-OG 2.9Å; I60-C70 WeakPolarHBondContact CG2-SG 3.15Å; I60-M72 HydrophobicContact CD1-CE 3.67Å; I60-Q307 HydrophobicContact CG2-CG 4.22Å; I60-G351 VanDerWaalsContact CD1-C 3.46Å; I60-G351 WeakPolarHBondContact CD1-O 3.4Å; I60-H352 HydrophobicContact CD1-CB 4.21Å
61	V	78.2	Confident	77.5	Confident	78 Å²	78	49.9 Å²	49.9	47%	0.473	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-54.5	-25.2	172.9	-176.4	0	0	0	0	112.1	P59 I306	P59-V61 PolarHBondContact O-N 3.41Å; V61-I306 HydrophobicContact CG2-CD1 3.65Å; V61-I306 HydrophobicContact CG2-CG1 4.35Å; V61-I306 HydrophobicContact CG2-CG2 4.22Å
62	C	69.6	Low	77.7	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.061	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-81	-29.3	-179	-57.3	0	0	0	0	113	Y30 F45 F58 P59 I60 G64	Y30-C62 WeakPolarHBondContact CD2-SG 3.09Å; Y30-C62 WeakPolarHBondContact CE2-SG 3.33Å; Y30-C62 VanDerWaalsContact CG-SG 3.58Å; F45-C62 HydrophobicContact CB-CB 4.02Å; F45-C62 HydrophobicContact CD2-CB 3.41Å; F45-C62 VanDerWaalsContact CD2-CB 3.41Å; F45-C62 WeakPolarHBondContact CD2-O 2.84Å; F45-C62 HydrophobicContact CE2-CB 4.06Å; F45-C62 HydrophobicContact CG-CB 3.88Å; F58-C62 HydrophobicContact CB-CB 3.96Å; P59-C62 WeakPolarHBondContact O-CB 3.33Å; P59-C62 PolarHBondContact O-N 3.17Å; P59-C62 PolarHBondContact O-SG 3.47Å; I60-C62 PolarHBondContact O-N 2.72Å; C62-G64 PolarHBondContact O-N 3.09Å
63	S	65.1	Low	77.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	25%	0.247	C	C	.	.	S	Bend	trans	-84.8	50.5	-170.5	44.3	0	0	0	0	113.1	I60 E65 T66 E69	I60-S63 PolarHBondContact O-N 3.5Å; I60-S63 PolarHBondContact O-OG 2.9Å; S63-E65 PolarHBondContact O-N 2.93Å; S63-T66 PolarHBondContact O-N 2.63Å; S63-T66 PolarHBondContact O-OG1 2.48Å; S63-E69 WeakPolarHBondContact CB-OE2 3.14Å; S63-E69 PolarHBondContact OG-OE2 2.96Å
64	G	67.8	Low	77.8	Confident	44 Å²	44	41.8 Å²	41.8	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	26.7	-123.2	167.4	0	0	0	0	0	115.2	C62	C62-G64 PolarHBondContact O-N 3.09Å
65	E	65.5	Low	78.1	Confident	150 Å²	150	45.1 Å²	45.1	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	11	176.2	-56.7	-165.6	118.5	0	0	113.5	S63 S67 K309	S63-E65 PolarHBondContact O-N 2.93Å; E65-S67 PolarHBondContact O-N 3.42Å; E65-K309 IonicContact OE1-NZ 4Å; E65-K309 PolarHBondContact OE1-NZ 2.8Å; E65-K309 IonicContact OE2-NZ 3.64Å
66	T	67.7	Low	78.3	Confident	62 Å²	62	42.6 Å²	42.6	38%	0.38	24%	0.244	S	C	.	.			trans	-84	104.7	-174.4	24.7	0	0	0	0	111.6	S63 A68 Q307	S63-T66 PolarHBondContact O-N 2.63Å; S63-T66 PolarHBondContact O-OG1 2.48Å; T66-A68 PolarHBondContact O-N 2.72Å; T66-Q307 PolarHBondContact O-NE2 3.11Å
67	S	71	Confident	78.6	Confident	13 Å²	13	44.3 Å²	44.3	9%	0.091	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.5	-18	-178.3	-48	0	0	0	0	114.9	E65 E69 C70 D324	E65-S67 PolarHBondContact O-N 3.42Å; S67-E69 PolarHBondContact O-N 3.11Å; S67-C70 PolarHBondContact O-N 3.13Å; S67-D324 WeakPolarHBondContact CB-OD2 3.48Å; S67-D324 VanDerWaalsContact OG-CG 3.28Å; S67-D324 PolarHBondContact OG-OD2 2.89Å
68	A	77.3	Confident	79.1	Confident	77 Å²	77	45.7 Å²	45.7	64%	0.636	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-69.5	-31.8	-170.2	0	0	0	0	0	114.4	T66 C70 V71	T66-A68 PolarHBondContact O-N 2.72Å; A68-C70 VanDerWaalsContact C-N 3.27Å; A68-C70 PolarHBondContact O-N 3.16Å; A68-V71 PolarHBondContact O-N 2.66Å
69	E	77.2	Confident	79.5	Confident	61 Å²	61	45.1 Å²	45.1	29%	0.285	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-73.9	-21.2	-179.6	-68.6	-171.3	-177.7	0	0	113.3	S63 S67 V71	S63-E69 WeakPolarHBondContact CB-OE2 3.14Å; S63-E69 PolarHBondContact OG-OE2 2.96Å; S67-E69 PolarHBondContact O-N 3.11Å; E69-V71 PolarHBondContact O-N 3.09Å
70	C	80	Confident	79.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-76.7	-4.2	176.5	-75.7	0	0	0	0	113.3	I60 S67 A68 M72 H304 Q307 V310 W347	I60-C70 WeakPolarHBondContact CG2-SG 3.15Å; S67-C70 PolarHBondContact O-N 3.13Å; A68-C70 VanDerWaalsContact C-N 3.27Å; A68-C70 PolarHBondContact O-N 3.16Å; C70-M72 PolarHBondContact O-N 2.66Å; C70-H304 PolarHBondContact SG-CE1 3.24Å; C70-H304 PolarHBondContact SG-NE2 2.97Å; C70-Q307 PolarHBondContact SG-NE2 3.41Å; C70-Q307 VanDerWaalsContact SG-NE2 3.39Å; C70-Q307 PolarHBondContact SG-OE1 2.81Å; C70-V310 HydrophobicContact CB-CG1 4.07Å; C70-W347 WeakPolarHBondContact O-CH2 3.48Å
71	V	85.4	Confident	80.4	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.097	27%	0.271	C	S	.	.			trans	-83.5	109.8	-178.1	-171.1	0	0	0	0	110.3	A68 E69 T73 Y322 L331 T332	A68-V71 PolarHBondContact O-N 2.66Å; E69-V71 PolarHBondContact O-N 3.09Å; V71-T73 HydrophobicContact CG1-CG2 3.63Å; V71-T73 PolarHBondContact O-N 2.89Å; V71-Y322 HydrophobicContact CB-CD1 4.39Å; V71-Y322 HydrophobicContact CG1-CD1 4.1Å; V71-Y322 HydrophobicContact CG1-CD2 4.08Å; V71-Y322 HydrophobicContact CG1-CE1 4.49Å; V71-Y322 HydrophobicContact CG1-CE2 4.48Å; V71-Y322 HydrophobicContact CG1-CG 3.91Å; V71-Y322 HydrophobicContact CG2-CD1 4.48Å; V71-L331 HydrophobicContact CG2-CB 4.35Å; V71-L331 HydrophobicContact CG2-CD1 4.1Å; V71-T332 HydrophobicContact CG1-CG2 3.54Å; V71-T332 WeakPolarHBondContact CG1-OG1 3.49Å
72	M	86.4	Confident	81.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.			trans	-93.5	85.5	180	-47.4	-56.7	167.2	0	0	110.7	I60 C70 Y322 W347 G351 H352 L354 D366 S367 S368	I60-M72 HydrophobicContact CD1-CE 3.67Å; C70-M72 PolarHBondContact O-N 2.66Å; M72-Y322 HydrophobicContact CB-CE1 4.43Å; M72-Y322 VanDerWaalsContact CB-OH 3.29Å; M72-Y322 WeakPolarHBondContact CB-OH 3.39Å; M72-Y322 PolarHBondContact O-OH 3.06Å; M72-Y322 VanDerWaalsContact O-OH 3.09Å; M72-W347 HydrophobicContact CE-CH2 4.43Å; M72-W347 HydrophobicContact CE-CZ3 3.8Å; M72-W347 HydrophobicContact CG-CH2 3.96Å; M72-W347 HydrophobicContact CG-CZ3 3.61Å; M72-G351 WeakPolarHBondContact CE-O 3.19Å; M72-H352 VanDerWaalsContact CE-C 3.49Å; M72-H352 WeakPolarHBondContact CE-O 3.4Å; M72-H352 VanDerWaalsContact SD-O 3.4Å; M72-L354 HydrophobicContact CB-CB 4.36Å; M72-L354 HydrophobicContact CG-CB 4.22Å; M72-D366 HydrophobicContact CB-CB 3.96Å; M72-S367 CarbonylContact C-O 3.52Å; M72-S367 WeakPolarHBondContact CA-O 3.3Å; M72-S368 PolarHBondContact SD-N 3.17Å
73	T	83.2	Confident	82.1	Confident	72 Å²	72	59.1 Å²	59.1	44%	0.442	32%	0.317	S	S	.	.			trans	-91.8	-10.9	179.7	55.7	0	0	0	0	114	V71 T332 I334 S367	V71-T73 HydrophobicContact CG1-CG2 3.63Å; V71-T73 PolarHBondContact O-N 2.89Å; T73-T332 HydrophobicContact CG2-CG2 4.36Å; T73-I334 HydrophobicContact CG2-CD1 4.43Å; T73-S367 PolarHBondContact N-O 3.11Å
74	R	85	Confident	83.4	Confident	60 Å²	60	66.5 Å²	66.5	23%	0.226	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.8	-169.7	-173.2	179.3	178	176.3	4.9	112	I76 D366 S367 M372 D375	R74-I76 PolarHBondContact O-N 2.64Å; R74-D366 CarbonylContact O-C 3.56Å; R74-D366 WeakPolarHBondContact O-CA 3.23Å; R74-S367 WeakPolarHBondContact CB-O 3.27Å; R74-S367 PolarHBondContact N-O 2.75Å; R74-S367 PolarHBondContact O-N 2.85Å; R74-S367 PolarHBondContact O-OG 2.97Å; R74-M372 HydrophobicContact CG-CE 4.38Å; R74-D375 IonicContact CZ-OD1 3.95Å; R74-D375 IonicContact CZ-OD2 3.12Å; R74-D375 IonicContact NH1-OD2 2.78Å; R74-D375 PolarHBondContact NH1-OD2 3.33Å; R74-D375 IonicContact NH2-OD1 2.83Å; R74-D375 PolarHBondContact NH2-OD1 3.28Å; R74-D375 IonicContact NH2-OD2 2.64Å; R74-D375 PolarHBondContact NH2-OD2 2.99Å
75	L	87.6	Confident	84.7	Confident	85 Å²	85	65 Å²	65	45%	0.445	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	118.1	172.6	-178.4	66.4	0	0	0	111.8	K364 D366	L75-K364 HydrophobicContact CD1-CB 3.82Å; L75-K364 HydrophobicContact CD1-CD 4.05Å; L75-K364 HydrophobicContact CD1-CG 4.02Å; L75-D366 VanDerWaalsContact CA-OD1 3.27Å; L75-D366 WeakPolarHBondContact CA-OD1 3.37Å; L75-D366 VanDerWaalsContact CD1-OD1 3.29Å; L75-D366 WeakPolarHBondContact CD1-OD1 3.34Å
76	I	85.2	Confident	86.1	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-56.1	173.9	-51.4	156.5	0	0	0	108.9	V21 R74 F116 I353 A365 S367 M372	V21-I76 HydrophobicContact CG2-CD1 3.67Å; V21-I76 HydrophobicContact CG2-CG1 3.85Å; V21-I76 HydrophobicContact CG2-CG2 3.89Å; R74-I76 PolarHBondContact O-N 2.64Å; I76-F116 HydrophobicContact CD1-CE2 3.77Å; I76-F116 HydrophobicContact CD1-CZ 4.27Å; I76-F116 HydrophobicContact CG2-CD2 4.02Å; I76-F116 HydrophobicContact CG2-CE2 4.2Å; I76-I353 HydrophobicContact CD1-CD1 4.25Å; I76-I353 HydrophobicContact CD1-CG1 4.07Å; I76-I353 HydrophobicContact CD1-CG2 4.13Å; I76-A365 VanDerWaalsContact CB-O 3.27Å; I76-A365 WeakPolarHBondContact CB-O 3.49Å; I76-A365 HydrophobicContact CD1-CB 4.07Å; I76-A365 WeakPolarHBondContact CG1-O 3.28Å; I76-A365 PolarHBondContact N-O 3.46Å; I76-S367 VanDerWaalsContact CG1-OG 3.28Å; I76-S367 WeakPolarHBondContact CG1-OG 3.07Å; I76-M372 HydrophobicContact CB-CE 4.13Å; I76-M372 HydrophobicContact CG1-CE 3.6Å; I76-M372 HydrophobicContact CG2-CE 4.19Å
77	R	88.3	Confident	87.5	Confident	139 Å²	139	56.3 Å²	56.3	53%	0.525	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	137.9	-169	-170.7	67	-177.9	-175.5	1.4	110.6	F116 A365	R77-F116 HydrophobicContact CB-CB 3.86Å; R77-F116 HydrophobicContact CB-CD2 4.42Å; R77-F116 HydrophobicContact CB-CG 4.26Å; R77-F116 HydrophobicContact CG-CB 3.83Å; R77-A365 PolarHBondContact N-O 3.13Å; R77-A365 PolarHBondContact O-N 2.97Å
78	S	91.8	Very high	88.7	Confident	43 Å²	43	57 Å²	57	30%	0.301	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.3	159.9	-165.6	0	0	0	0	108.2	T363	S78-T363 CarbonylContact C-O 3.58Å
79	A	91.7	Very high	89.6	Confident	8 Å²	8	54.7 Å²	54.7	7%	0.066	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.3	176.3	0	0	0	0	0	109.2	W111 T363	A79-W111 HydrophobicContact CB-CD2 3.91Å; A79-W111 HydrophobicContact CB-CE3 3.75Å; A79-W111 HydrophobicContact CB-CH2 3.72Å; A79-W111 HydrophobicContact CB-CZ2 3.85Å; A79-W111 HydrophobicContact CB-CZ3 3.66Å; A79-T363 VanDerWaalsContact CB-OG1 3.28Å; A79-T363 WeakPolarHBondContact CB-OG1 3.05Å; A79-T363 PolarHBondContact N-O 3.47Å; A79-T363 PolarHBondContact O-N 2.89Å; A79-T363 PolarHBondContact O-OG1 3.05Å
80	V	92.9	Very high	90.5	Very high	61 Å²	61	52 Å²	52	37%	0.37	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.2	-175.6	-167.8	0	0	0	0	108.1	N362	V80-N362 WeakPolarHBondContact CG2-OD1 3.33Å
81	N	92.2	Very high	91.3	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.091	26%	0.257	C	S	.	.			trans	-73.9	154	174.3	-72.8	-27.3	0	0	0	111.3	I83 T109 W111	N81-I83 VanDerWaalsContact C-N 3.25Å; N81-I83 WeakPolarHBondContact CB-O 3.47Å; N81-I83 PolarHBondContact O-N 2.9Å; N81-T109 VanDerWaalsContact ND2-CG2 3.33Å; N81-T109 WeakPolarHBondContact ND2-CG2 3Å; N81-T109 PolarHBondContact ND2-OG1 3.2Å; N81-T109 WeakPolarHBondContact OD1-CG2 3.48Å; N81-T109 PolarHBondContact OD1-OG1 2.89Å; N81-W111 WeakPolarHBondContact OD1-CZ2 3.44Å
82	K	91.4	Very high	91.8	Very high	219 Å²	219	52 Å²	52	95%	0.952	25%	0.253	S	S	*	.	S	Bend	trans	-59.6	-41.7	175.7	-69.5	-177.1	-179.9	177.2	0	111.1
83	I	91.6	Very high	92.3	Very high	105 Å²	105	52.6 Å²	52.6	54%	0.538	26%	0.258	S	S	.	.	S	Bend	trans	-89.9	120.7	168.5	-55.9	176.6	0	0	0	106.3	N81 C85	N81-I83 VanDerWaalsContact C-N 3.25Å; N81-I83 WeakPolarHBondContact CB-O 3.47Å; N81-I83 PolarHBondContact O-N 2.9Å; I83-C85 PolarHBondContact O-N 2.98Å
84	K	93.3	Very high	92.8	Very high	157 Å²	157	50.8 Å²	50.8	68%	0.683	25%	0.247	S	C	*	.			trans	-78.3	110.5	-179.4	-64.4	-174.3	179.7	-172.5	0	109	N361	K84-N361 HydrophobicContact CB-CB 4.12Å
85	C	93.8	Very high	93.1	Very high	13 Å²	13	55.3 Å²	55.3	9%	0.088	27%	0.27	C	S	.	.			trans	-131.8	140.1	176.2	-63.6	0	0	0	0	109.4	I83 N361	I83-C85 PolarHBondContact O-N 2.98Å; C85-N361 WeakPolarHBondContact O-CA 3.41Å; C85-N361 WeakPolarHBondContact O-CB 3.27Å; C85-N361 PolarHBondContact O-OD1 2.84Å
86	P	95.7	Very high	93.4	Very high	26 Å²	26	51.5 Å²	51.5	17%	0.169	25%	0.252	C	S	.	.			trans	-65.1	144.8	175.3	23.9	-32	0	0	0	109.7	F88 S104 N359 N361	P86-F88 HydrophobicContact CB-CE1 4.47Å; P86-F88 HydrophobicContact CB-CZ 4.47Å; P86-F88 HydrophobicContact CG-CZ 4.1Å; P86-S104 WeakPolarHBondContact CD-OG 3.33Å; P86-S104 PolarHBondContact O-N 2.75Å; P86-N359 WeakPolarHBondContact CB-OD1 3.41Å; P86-N361 WeakPolarHBondContact CA-OD1 3.23Å; P86-N361 VanDerWaalsContact CD-OD1 3.27Å; P86-N361 WeakPolarHBondContact CD-OD1 3.23Å
87	I	96.4	Very high	93.8	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.8	-174	-56.1	-179	0	0	0	106.5	S358 T363	I87-S358 PolarHBondContact N-O 3.28Å; I87-S358 VanDerWaalsContact N-O 3.16Å; I87-T363 HydrophobicContact CD1-CG2 3.28Å; I87-T363 HydrophobicContact CG1-CG2 4.48Å; I87-T363 HydrophobicContact CG2-CG2 4.11Å
88	F	96.4	Very high	94.1	Very high	29 Å²	29	55 Å²	55	13%	0.127	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-32.1	-175	-68.1	-52.5	0	0	0	112.4	P86 G102 S104 A128 V129 W343	P86-F88 HydrophobicContact CB-CE1 4.47Å; P86-F88 HydrophobicContact CB-CZ 4.47Å; P86-F88 HydrophobicContact CG-CZ 4.1Å; F88-G102 PolarHBondContact N-O 2.94Å; F88-G102 VanDerWaalsContact N-O 3.11Å; F88-S104 VanDerWaalsContact CE2-CB 3.48Å; F88-A128 HydrophobicContact CD2-CB 3.94Å; F88-A128 HydrophobicContact CE2-CB 3.7Å; F88-V129 VanDerWaalsContact CB-O 3.29Å; F88-V129 WeakPolarHBondContact CB-O 3.27Å; F88-W343 AromaticContact CD1-CD1 3.7Å; F88-W343 HydrophobicContact CD1-CD2 4.34Å; F88-W343 HydrophobicContact CD1-CG 4.02Å; F88-W343 AromaticContact CD1-NE1 3.79Å; F88-W343 AromaticContact CE1-NE1 3.8Å; F88-W343 VanDerWaalsContact O-CB 3.28Å; F88-W343 WeakPolarHBondContact O-CB 3.25Å
89	D	96.3	Very high	94.3	Very high	28 Å²	28	53.1 Å²	53.1	15%	0.15	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.3	178.1	-160.5	15.3	0	0	0	111.6	G102 A131 M132 A344	D89-G102 PolarHBondContact O-N 2.74Å; D89-A131 VanDerWaalsContact OD2-C 3.26Å; D89-A131 WeakPolarHBondContact OD2-CA 3.46Å; D89-M132 HydrophobicContact CB-CE 3.88Å; D89-M132 WeakPolarHBondContact O-CE 2.92Å; D89-M132 PolarHBondContact OD2-N 2.78Å; D89-A344 WeakPolarHBondContact OD1-CB 3.29Å
90	L	96	Very high	94.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145.4	178.3	66.2	103.9	0	0	0	110.2	L99 I100 T101 A344 D346 A355 S356 G357	L90-L99 HydrophobicContact CB-CD1 4.44Å; L90-L99 HydrophobicContact CD1-CD1 3.8Å; L90-I100 CarbonylContact C-O 3.56Å; L90-I100 VanDerWaalsContact CA-O 3.23Å; L90-I100 WeakPolarHBondContact CA-O 3.47Å; L90-T101 HydrophobicContact CB-CG2 4.07Å; L90-A344 HydrophobicContact CD2-CB 3.84Å; L90-A344 WeakPolarHBondContact CD2-O 3.46Å; L90-A344 HydrophobicContact CG-CB 3.93Å; L90-D346 HydrophobicContact CD1-CB 3.41Å; L90-D346 VanDerWaalsContact CD1-CB 3.41Å; L90-D346 HydrophobicContact CG-CB 4.42Å; L90-A355 HydrophobicContact CD1-CB 3.69Å; L90-S356 VanDerWaalsContact CD2-C 3.45Å; L90-G357 VanDerWaalsContact CD2-CA 3.47Å
91	C	96.2	Very high	94.7	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139.1	175.3	68.3	0	0	0	0	111.7	I100 D346	C91-I100 PolarHBondContact N-O 2.75Å; C91-I100 PolarHBondContact O-N 2.89Å; C91-D346 VanDerWaalsContact CA-OD2 3.27Å; C91-D346 WeakPolarHBondContact CA-OD2 3.24Å
92	W	96.5	Very high	94.9	Very high	8 Å²	8	49 Å²	49	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.7	167.5	-75	97	0	0	0	109.8	L99 G113 F116 W134 D346 W347 H348 I353 A355	W92-L99 HydrophobicContact CD2-CB 4.18Å; W92-L99 HydrophobicContact CD2-CD1 3.96Å; W92-L99 HydrophobicContact CE3-CB 4.03Å; W92-L99 HydrophobicContact CG-CD1 4.07Å; W92-L99 HydrophobicContact CH2-CB 4.16Å; W92-L99 HydrophobicContact CZ2-CB 4.29Å; W92-L99 HydrophobicContact CZ2-CD1 4.39Å; W92-L99 HydrophobicContact CZ2-CD2 4.49Å; W92-L99 HydrophobicContact CZ3-CB 4.03Å; W92-G113 VanDerWaalsContact CZ3-CA 3.47Å; W92-F116 AromaticContact CH2-CE1 3.64Å; W92-F116 HydrophobicContact CH2-CE1 3.64Å; W92-F116 AromaticContact CH2-CZ 3.74Å; W92-F116 HydrophobicContact CH2-CZ 3.74Å; W92-F116 AromaticContact CZ2-CE1 4Å; W92-F116 HydrophobicContact CZ2-CE1 4Å; W92-F116 HydrophobicContact CZ2-CZ 4.17Å; W92-W134 VanDerWaalsContact O-CD1 3.32Å; W92-W134 PolarHBondContact O-NE1 3.39Å; W92-D346 PolarHBondContact N-OD2 2.84Å; W92-D346 PolarHBondContact NE1-O 2.87Å; W92-W347 VanDerWaalsContact CD1-O 3.23Å; W92-H348 HydrophobicContact CD2-CB 4.31Å; W92-H348 AromaticContact CE3-CD2 3.77Å; W92-H348 AromaticContact CH2-CD2 3.99Å; W92-H348 HydrophobicContact CZ2-CB 4.3Å; W92-H348 AromaticContact CZ3-CD2 3.63Å; W92-I353 HydrophobicContact CH2-CG2 4.47Å; W92-I353 HydrophobicContact CZ2-CG2 3.88Å; W92-A355 HydrophobicContact CZ2-CB 4.11Å
93	T	96	Very high	95	Very high	14 Å²	14	38.8 Å²	38.8	9%	0.086	18%	0.182	C	C	.	.			trans	-62	143.6	162.5	54.1	0	0	0	0	108.8	E95 G96 R97 R98 I100 W134	T93-E95 PolarHBondContact O-N 3.08Å; T93-G96 WeakPolarHBondContact O-CA 3Å; T93-G96 PolarHBondContact O-N 3.42Å; T93-R97 PolarHBondContact OG1-N 2.77Å; T93-R98 HydrophobicContact CG2-CB 3.77Å; T93-R98 PolarHBondContact N-O 3.02Å; T93-R98 PolarHBondContact OG1-N 2.97Å; T93-R98 PolarHBondContact OG1-O 3.29Å; T93-R98 VanDerWaalsContact OG1-O 3.05Å; T93-I100 HydrophobicContact CG2-CD1 3.97Å; T93-W134 HydrophobicContact CG2-CZ2 4.09Å
94	P	94	Very high	95.2	Very high	33 Å²	33	35.7 Å²	35.7	21%	0.214	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27	-177.7	-28.3	35.9	0	0	0	114.6	G96 W134 Q138 P349	P94-G96 VanDerWaalsContact C-N 3.27Å; P94-G96 PolarHBondContact O-N 3.38Å; P94-W134 HydrophobicContact CG-CB 4.07Å; P94-W134 HydrophobicContact CG-CD2 3.77Å; P94-W134 HydrophobicContact CG-CE3 3.93Å; P94-W134 HydrophobicContact CG-CG 3.82Å; P94-Q138 HydrophobicContact CB-CB 3.73Å; P94-Q138 VanDerWaalsContact CB-CD 3.42Å; P94-Q138 HydrophobicContact CB-CG 3.45Å; P94-Q138 VanDerWaalsContact CB-CG 3.45Å; P94-Q138 HydrophobicContact CG-CB 3.77Å; P94-Q138 HydrophobicContact CG-CG 3.87Å; P94-P349 WeakPolarHBondContact O-CG 3.3Å
95	E	92.2	Very high	95.3	Very high	155 Å²	155	29.9 Å²	29.9	72%	0.724	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.7	174.1	-60.4	179.9	174.3	0	0	113.7	T93 R97	T93-E95 PolarHBondContact O-N 3.08Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 2.83Å
96	G	92.7	Very high	95.4	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	15%	0.145	C	C	.	.	S	Bend	trans	77.4	2.6	-173.6	0	0	0	0	0	115.1	T93 P94 H348	T93-G96 WeakPolarHBondContact O-CA 3Å; T93-G96 PolarHBondContact O-N 3.42Å; P94-G96 VanDerWaalsContact C-N 3.27Å; P94-G96 PolarHBondContact O-N 3.38Å; G96-H348 VanDerWaalsContact CA-NE2 3.26Å; G96-H348 WeakPolarHBondContact CA-NE2 3.31Å; G96-H348 PolarHBondContact O-NE2 2.9Å
97	R	93.5	Very high	95.4	Very high	155 Å²	155	29.4 Å²	29.4	59%	0.585	14%	0.143	S	C	*	.	S	Bend	trans	-70.6	-34.9	-175.1	-174	-179.8	171.5	173.5	0.6	113.6	T93 E95 G113	T93-R97 PolarHBondContact OG1-N 2.77Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 2.83Å; R97-G113 WeakPolarHBondContact O-CA 3.43Å; R97-G113 PolarHBondContact O-N 2.88Å
98	R	94.9	Very high	95.4	Very high	66 Å²	66	29.3 Å²	29.3	25%	0.249	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.9	-174.8	-64.3	165.5	168	174.2	-7.4	111.1	T93 W111 E119	T93-R98 HydrophobicContact CG2-CB 3.77Å; T93-R98 PolarHBondContact N-O 3.02Å; T93-R98 PolarHBondContact OG1-N 2.97Å; T93-R98 PolarHBondContact OG1-O 3.29Å; T93-R98 VanDerWaalsContact OG1-O 3.05Å; R98-W111 CarbonylContact C-O 3.55Å; R98-W111 WeakPolarHBondContact CA-O 3.22Å; R98-E119 IonicContact CZ-OE2 3.96Å; R98-E119 IonicContact NE-OE2 3.87Å; R98-E119 PolarHBondContact NE-OE2 2.99Å; R98-E119 IonicContact NH2-OE2 2.94Å; R98-E119 PolarHBondContact NH2-OE2 2.92Å
99	L	95.8	Very high	95.4	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.1	166.8	173.1	70.4	0	0	0	108.5	L90 W92 T101 L110 W111 A355	L90-L99 HydrophobicContact CB-CD1 4.44Å; L90-L99 HydrophobicContact CD1-CD1 3.8Å; W92-L99 HydrophobicContact CD2-CB 4.18Å; W92-L99 HydrophobicContact CD2-CD1 3.96Å; W92-L99 HydrophobicContact CE3-CB 4.03Å; W92-L99 HydrophobicContact CG-CD1 4.07Å; W92-L99 HydrophobicContact CH2-CB 4.16Å; W92-L99 HydrophobicContact CZ2-CB 4.29Å; W92-L99 HydrophobicContact CZ2-CD1 4.39Å; W92-L99 HydrophobicContact CZ2-CD2 4.49Å; W92-L99 HydrophobicContact CZ3-CB 4.03Å; L99-T101 HydrophobicContact CD2-CG2 4.22Å; L99-T101 HydrophobicContact CG-CG2 4.08Å; L99-L110 WeakPolarHBondContact O-CA 3.38Å; L99-W111 HydrophobicContact CB-CB 4.24Å; L99-W111 PolarHBondContact N-O 3.1Å; L99-W111 PolarHBondContact O-N 3.3Å; L99-A355 HydrophobicContact CD1-CB 3.86Å; L99-A355 HydrophobicContact CD2-CB 3.72Å; L99-A355 HydrophobicContact CG-CB 4.45Å
100	I	96.6	Very high	95.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133	179.3	-57.4	152.3	0	0	0	107.6	L90 C91 T93 F108 L110 M132 W134 M141 M157	L90-I100 CarbonylContact C-O 3.56Å; L90-I100 VanDerWaalsContact CA-O 3.23Å; L90-I100 WeakPolarHBondContact CA-O 3.47Å; C91-I100 PolarHBondContact N-O 2.75Å; C91-I100 PolarHBondContact O-N 2.89Å; T93-I100 HydrophobicContact CG2-CD1 3.97Å; I100-F108 HydrophobicContact CG2-CB 4.23Å; I100-F108 HydrophobicContact CG2-CG 4.26Å; I100-L110 HydrophobicContact CG1-CD1 4.33Å; I100-L110 HydrophobicContact CG1-CG 4.12Å; I100-L110 HydrophobicContact CG2-CD1 4.33Å; I100-M132 HydrophobicContact CG2-SD 4.18Å; I100-W134 HydrophobicContact CD1-CZ2 3.77Å; I100-M141 HydrophobicContact CD1-SD 3.87Å; I100-M157 HydrophobicContact CD1-CE 3.22Å; I100-M157 HydrophobicContact CD1-SD 4.31Å; I100-M157 HydrophobicContact CG1-CE 3.95Å
101	T	96.6	Very high	95.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.1	-178.2	62.8	0	0	0	0	109.7	L90 L99 F108 T109 W111 T363	L90-T101 HydrophobicContact CB-CG2 4.07Å; L99-T101 HydrophobicContact CD2-CG2 4.22Å; L99-T101 HydrophobicContact CG-CG2 4.08Å; T101-F108 WeakPolarHBondContact O-CA 3.42Å; T101-T109 PolarHBondContact N-O 3.05Å; T101-T109 PolarHBondContact O-N 2.98Å; T101-T109 PolarHBondContact OG1-O 2.67Å; T101-T109 PolarHBondContact OG1-OG1 3.02Å; T101-W111 PolarHBondContact OG1-NE1 2.86Å; T101-T363 HydrophobicContact CG2-CG2 3.42Å; T101-T363 VanDerWaalsContact CG2-CG2 3.42Å
102	G	96.2	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.1	-179.1	0	0	0	0	0	111.2	F88 D89 M132	F88-G102 PolarHBondContact N-O 2.94Å; F88-G102 VanDerWaalsContact N-O 3.11Å; D89-G102 PolarHBondContact O-N 2.74Å; G102-M132 VanDerWaalsContact N-CE 3.32Å
103	G	94.9	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	166.4	178.3	0	0	0	0	0	113.6	S105 G106 E107 V129	G103-S105 PolarHBondContact O-N 3.33Å; G103-G106 PolarHBondContact O-N 3.32Å; G103-E107 PolarHBondContact N-O 3.47Å; G103-V129 PolarHBondContact O-N 3.38Å
104	S	95.6	Very high	94.5	Very high	41 Å²	41	30.3 Å²	30.3	29%	0.287	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.3	170.9	68.6	0	0	0	0	114.6	P86 F88 G106 A128	P86-S104 WeakPolarHBondContact CD-OG 3.33Å; P86-S104 PolarHBondContact O-N 2.75Å; F88-S104 VanDerWaalsContact CE2-CB 3.48Å; S104-G106 PolarHBondContact O-N 2.96Å; S104-A128 VanDerWaalsContact O-CA 3.31Å; S104-A128 WeakPolarHBondContact O-CA 3.27Å; S104-A128 WeakPolarHBondContact O-CB 3.26Å
105	S	95.1	Very high	94.2	Very high	34 Å²	34	29.3 Å²	29.3	24%	0.238	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.5	176.9	49.3	0	0	0	0	113.5	G103 E107 Q123	G103-S105 PolarHBondContact O-N 3.33Å; S105-E107 WeakPolarHBondContact OG-CB 3.23Å; S105-E107 VanDerWaalsContact OG-CD 3.32Å; S105-E107 WeakPolarHBondContact OG-CG 3.44Å; S105-E107 PolarHBondContact OG-OE2 3.47Å; S105-Q123 PolarHBondContact O-NE2 2.91Å
106	G	94.7	Very high	94.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	79.7	8	-171.5	0	0	0	0	0	113.6	G103 S104 A124 H125 S127	G103-G106 PolarHBondContact O-N 3.32Å; S104-G106 PolarHBondContact O-N 2.96Å; G106-A124 PolarHBondContact O-N 3.03Å; G106-H125 WeakPolarHBondContact CA-O 3.33Å; G106-H125 PolarHBondContact O-N 2.95Å; G106-S127 WeakPolarHBondContact CA-O 3.3Å
107	E	96.2	Very high	94	Very high	29 Å²	29	24 Å²	24	14%	0.136	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.7	178.4	-65.9	169.2	144.6	0	0	111.4	G103 S105 I121 L122 Q123	G103-E107 PolarHBondContact N-O 3.47Å; S105-E107 WeakPolarHBondContact OG-CB 3.23Å; S105-E107 VanDerWaalsContact OG-CD 3.32Å; S105-E107 WeakPolarHBondContact OG-CG 3.44Å; S105-E107 PolarHBondContact OG-OE2 3.47Å; E107-I121 HydrophobicContact CB-CD1 4.22Å; E107-I121 HydrophobicContact CB-CG1 4.22Å; E107-I121 HydrophobicContact CG-CD1 4.27Å; E107-I121 HydrophobicContact CG-CG1 4.46Å; E107-L122 CarbonylContact C-O 3.52Å; E107-L122 VanDerWaalsContact CA-O 3.29Å; E107-L122 WeakPolarHBondContact CA-O 3.36Å; E107-Q123 VanDerWaalsContact CG-OE1 3.23Å
108	F	96.5	Very high	94	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.6	161.6	-64.2	-19.1	0	0	0	109.2	I100 T101 L110 I121 L122 A124 V129 M132 M141 T143 W153	I100-F108 HydrophobicContact CG2-CB 4.23Å; I100-F108 HydrophobicContact CG2-CG 4.26Å; T101-F108 WeakPolarHBondContact O-CA 3.42Å; F108-L110 HydrophobicContact CB-CD1 4.18Å; F108-I121 CarbonylContact O-C 3.57Å; F108-I121 VanDerWaalsContact O-CA 3.32Å; F108-I121 WeakPolarHBondContact O-CA 3.37Å; F108-L122 HydrophobicContact CB-CB 4.43Å; F108-L122 PolarHBondContact N-O 3.24Å; F108-L122 PolarHBondContact O-N 2.9Å; F108-A124 HydrophobicContact CD1-CB 3.77Å; F108-A124 HydrophobicContact CD2-CB 3.39Å; F108-A124 HydrophobicContact CE1-CB 3.62Å; F108-A124 HydrophobicContact CE2-CB 3.24Å; F108-A124 HydrophobicContact CG-CB 3.63Å; F108-A124 HydrophobicContact CZ-CB 3.33Å; F108-V129 HydrophobicContact CD1-CG2 4.09Å; F108-V129 HydrophobicContact CE1-CB 4.36Å; F108-V129 HydrophobicContact CE1-CG1 3.85Å; F108-V129 HydrophobicContact CE1-CG2 3.61Å; F108-M132 HydrophobicContact CD1-SD 4.02Å; F108-M132 HydrophobicContact CE1-SD 3.68Å; F108-M132 HydrophobicContact CZ-SD 4.3Å; F108-M141 HydrophobicContact CD2-CE 4.44Å; F108-M141 HydrophobicContact CE2-CE 3.92Å; F108-T143 HydrophobicContact CE1-CG2 4.38Å; F108-T143 HydrophobicContact CE2-CG2 4.17Å; F108-T143 HydrophobicContact CZ-CG2 3.56Å; F108-W153 HydrophobicContact CE2-CD2 4.1Å; F108-W153 AromaticContact CE2-CE2 3.59Å; F108-W153 HydrophobicContact CE2-CH2 4.27Å; F108-W153 AromaticContact CE2-CZ2 3.72Å; F108-W153 HydrophobicContact CE2-CZ2 3.72Å; F108-W153 AromaticContact CE2-NE1 3.77Å; F108-W153 HydrophobicContact CZ-CZ2 4.29Å; F108-W153 AromaticContact CZ-NE1 4Å
109	T	96.4	Very high	94	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	168.8	45	0	0	0	0	110.6	N81 T101 I121	N81-T109 VanDerWaalsContact ND2-CG2 3.33Å; N81-T109 WeakPolarHBondContact ND2-CG2 3Å; N81-T109 PolarHBondContact ND2-OG1 3.2Å; N81-T109 WeakPolarHBondContact OD1-CG2 3.48Å; N81-T109 PolarHBondContact OD1-OG1 2.89Å; T101-T109 PolarHBondContact N-O 3.05Å; T101-T109 PolarHBondContact O-N 2.98Å; T101-T109 PolarHBondContact OG1-O 2.67Å; T101-T109 PolarHBondContact OG1-OG1 3.02Å; T109-I121 HydrophobicContact CG2-CB 4Å; T109-I121 HydrophobicContact CG2-CD1 3.52Å; T109-I121 HydrophobicContact CG2-CG1 3.55Å
110	L	96.1	Very high	93.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.4	-178.5	-83.1	67.2	0	0	0	108.9	L99 I100 F108 E119 T120 M157	L99-L110 WeakPolarHBondContact O-CA 3.38Å; I100-L110 HydrophobicContact CG1-CD1 4.33Å; I100-L110 HydrophobicContact CG1-CG 4.12Å; I100-L110 HydrophobicContact CG2-CD1 4.33Å; F108-L110 HydrophobicContact CB-CD1 4.18Å; L110-E119 HydrophobicContact CB-CB 4.48Å; L110-E119 PolarHBondContact O-N 2.82Å; L110-T120 PolarHBondContact N-O 2.98Å; L110-M157 HydrophobicContact CD2-CG 3.96Å
111	W	95.5	Very high	93.9	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.045	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.7	176.6	-53.4	95	0	0	0	109.7	A79 N81 R98 L99 T101 N117 F118	A79-W111 HydrophobicContact CB-CD2 3.91Å; A79-W111 HydrophobicContact CB-CE3 3.75Å; A79-W111 HydrophobicContact CB-CH2 3.72Å; A79-W111 HydrophobicContact CB-CZ2 3.85Å; A79-W111 HydrophobicContact CB-CZ3 3.66Å; N81-W111 WeakPolarHBondContact OD1-CZ2 3.44Å; R98-W111 CarbonylContact C-O 3.55Å; R98-W111 WeakPolarHBondContact CA-O 3.22Å; L99-W111 HydrophobicContact CB-CB 4.24Å; L99-W111 PolarHBondContact N-O 3.1Å; L99-W111 PolarHBondContact O-N 3.3Å; T101-W111 PolarHBondContact OG1-NE1 2.86Å; W111-N117 WeakPolarHBondContact CA-O 3.39Å; W111-F118 HydrophobicContact CE3-CB 4.31Å; W111-F118 HydrophobicContact CZ3-CB 3.92Å
112	N	94	Very high	93.8	Very high	40 Å²	40	30.3 Å²	30.3	21%	0.214	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.3	172.4	-174.2	-72.8	0	0	0	110.4	T114 A115 F116 N117 E119	N112-T114 PolarHBondContact O-N 3.16Å; N112-T114 PolarHBondContact OD1-N 3.4Å; N112-T114 VanDerWaalsContact OD1-N 3.11Å; N112-T114 PolarHBondContact OD1-OG1 2.85Å; N112-T114 VanDerWaalsContact OD1-OG1 3.06Å; N112-A115 PolarHBondContact OD1-N 3.31Å; N112-F116 WeakPolarHBondContact O-CA 3.41Å; N112-F116 PolarHBondContact O-N 2.93Å; N112-N117 HydrophobicContact CB-CB 4.41Å; N112-N117 PolarHBondContact N-O 3.37Å; N112-E119 HydrophobicContact CB-CG 4.05Å; N112-E119 WeakPolarHBondContact CB-OE1 3.31Å; N112-E119 PolarHBondContact ND2-OE1 2.83Å
113	G	90	Very high	93.8	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.7	-171.8	0	0	0	0	0	116.5	W92 R97 F116	W92-G113 VanDerWaalsContact CZ3-CA 3.47Å; R97-G113 WeakPolarHBondContact O-CA 3.43Å; R97-G113 PolarHBondContact O-N 2.88Å; G113-F116 WeakPolarHBondContact O-CZ 3.35Å
114	T	87.6	Confident	93.8	Very high	55 Å²	55	35.5 Å²	35.5	34%	0.337	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-39.1	-178.8	59.1	0	0	0	0	112.2	Q20 V21 N112	Q20-T114 WeakPolarHBondContact CA-O 3.37Å; V21-T114 PolarHBondContact N-O 2.69Å; V21-T114 WeakPolarHBondContact O-CB 3.33Å; N112-T114 PolarHBondContact O-N 3.16Å; N112-T114 PolarHBondContact OD1-N 3.4Å; N112-T114 VanDerWaalsContact OD1-N 3.11Å; N112-T114 PolarHBondContact OD1-OG1 2.85Å; N112-T114 VanDerWaalsContact OD1-OG1 3.06Å
115	A	87.2	Confident	93.8	Very high	12 Å²	12	33.6 Å²	33.6	10%	0.099	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-3.7	-173	0	0	0	0	0	114.1	Q20 N112 N117	Q20-A115 HydrophobicContact CG-CB 4.43Å; N112-A115 PolarHBondContact OD1-N 3.31Å; A115-N117 VanDerWaalsContact CB-ND2 3.26Å; A115-N117 WeakPolarHBondContact CB-ND2 3.23Å; A115-N117 PolarHBondContact O-N 3.48Å
116	F	89.6	Confident	93.8	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.026	20%	0.2	C	C	.	.			trans	51.9	31	-179.8	-62.6	-78.6	0	0	0	114.4	I76 R77 W92 N112 G113 I353 A365	I76-F116 HydrophobicContact CD1-CE2 3.77Å; I76-F116 HydrophobicContact CD1-CZ 4.27Å; I76-F116 HydrophobicContact CG2-CD2 4.02Å; I76-F116 HydrophobicContact CG2-CE2 4.2Å; R77-F116 HydrophobicContact CB-CB 3.86Å; R77-F116 HydrophobicContact CB-CD2 4.42Å; R77-F116 HydrophobicContact CB-CG 4.26Å; R77-F116 HydrophobicContact CG-CB 3.83Å; W92-F116 AromaticContact CH2-CE1 3.64Å; W92-F116 HydrophobicContact CH2-CE1 3.64Å; W92-F116 AromaticContact CH2-CZ 3.74Å; W92-F116 HydrophobicContact CH2-CZ 3.74Å; W92-F116 AromaticContact CZ2-CE1 4Å; W92-F116 HydrophobicContact CZ2-CE1 4Å; W92-F116 HydrophobicContact CZ2-CZ 4.17Å; N112-F116 WeakPolarHBondContact O-CA 3.41Å; N112-F116 PolarHBondContact O-N 2.93Å; G113-F116 WeakPolarHBondContact O-CZ 3.35Å; F116-I353 HydrophobicContact CE2-CD1 4.14Å; F116-I353 HydrophobicContact CZ-CD1 3.94Å; F116-I353 HydrophobicContact CZ-CG2 3.94Å; F116-A365 HydrophobicContact CD1-CB 3.67Å; F116-A365 HydrophobicContact CD2-CB 4.19Å; F116-A365 HydrophobicContact CE1-CB 3.29Å; F116-A365 HydrophobicContact CE2-CB 3.87Å; F116-A365 HydrophobicContact CG-CB 4.11Å; F116-A365 HydrophobicContact CZ-CB 3.42Å; F116-A365 VanDerWaalsContact CZ-CB 3.42Å
117	N	91.4	Very high	93.8	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.23	21%	0.207	C	C	.	.			trans	-83.2	147.2	173.7	-65.1	-53	0	0	0	109.8	R18 W111 N112 A115 E119	R18-N117 WeakPolarHBondContact CD-ND2 3.25Å; R18-N117 PolarHBondContact NH1-ND2 3.14Å; R18-N117 PolarHBondContact NH1-OD1 3.31Å; W111-N117 WeakPolarHBondContact CA-O 3.39Å; N112-N117 HydrophobicContact CB-CB 4.41Å; N112-N117 PolarHBondContact N-O 3.37Å; A115-N117 VanDerWaalsContact CB-ND2 3.26Å; A115-N117 WeakPolarHBondContact CB-ND2 3.23Å; A115-N117 PolarHBondContact O-N 3.48Å; N117-E119 PolarHBondContact O-N 2.9Å
118	F	93.4	Very high	93.9	Very high	111 Å²	111	38.6 Å²	38.6	49%	0.487	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.3	169.6	174.6	-94.9	0	0	0	110.4	W111 I121	W111-F118 HydrophobicContact CE3-CB 4.31Å; W111-F118 HydrophobicContact CZ3-CB 3.92Å; F118-I121 HydrophobicContact CE2-CB 3.99Å; F118-I121 HydrophobicContact CZ-CB 3.96Å; F118-I121 HydrophobicContact CZ-CG2 4.03Å
119	E	93.8	Very high	93.9	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-65.1	171.3	-64.5	-162.3	174.7	0	0	110.8	R98 L110 N112 N117	R98-E119 IonicContact CZ-OE2 3.96Å; R98-E119 IonicContact NE-OE2 3.87Å; R98-E119 PolarHBondContact NE-OE2 2.99Å; R98-E119 IonicContact NH2-OE2 2.94Å; R98-E119 PolarHBondContact NH2-OE2 2.92Å; L110-E119 HydrophobicContact CB-CB 4.48Å; L110-E119 PolarHBondContact O-N 2.82Å; N112-E119 HydrophobicContact CB-CG 4.05Å; N112-E119 WeakPolarHBondContact CB-OE1 3.31Å; N112-E119 PolarHBondContact ND2-OE1 2.83Å; N117-E119 PolarHBondContact O-N 2.9Å
120	T	95.3	Very high	93.9	Very high	62 Å²	62	41.2 Å²	41.2	38%	0.38	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.7	-174.1	57.6	0	0	0	0	111.6	L110	L110-T120 PolarHBondContact N-O 2.98Å
121	I	95.4	Very high	93.9	Very high	75 Å²	75	41.3 Å²	41.3	39%	0.385	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.8	171	-172.6	162.5	0	0	0	108.5	E107 F108 T109 F118	E107-I121 HydrophobicContact CB-CD1 4.22Å; E107-I121 HydrophobicContact CB-CG1 4.22Å; E107-I121 HydrophobicContact CG-CD1 4.27Å; E107-I121 HydrophobicContact CG-CG1 4.46Å; F108-I121 CarbonylContact O-C 3.57Å; F108-I121 VanDerWaalsContact O-CA 3.32Å; F108-I121 WeakPolarHBondContact O-CA 3.37Å; T109-I121 HydrophobicContact CG2-CB 4Å; T109-I121 HydrophobicContact CG2-CD1 3.52Å; T109-I121 HydrophobicContact CG2-CG1 3.55Å; F118-I121 HydrophobicContact CE2-CB 3.99Å; F118-I121 HydrophobicContact CZ-CB 3.96Å; F118-I121 HydrophobicContact CZ-CG2 4.03Å
122	L	95.6	Very high	94	Very high	58 Å²	58	41.3 Å²	41.3	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.8	178.8	-63.1	171.3	0	0	0	109.2	E107 F108 A124 M157	E107-L122 CarbonylContact C-O 3.52Å; E107-L122 VanDerWaalsContact CA-O 3.29Å; E107-L122 WeakPolarHBondContact CA-O 3.36Å; F108-L122 HydrophobicContact CB-CB 4.43Å; F108-L122 PolarHBondContact N-O 3.24Å; F108-L122 PolarHBondContact O-N 2.9Å; L122-A124 PolarHBondContact O-N 3.35Å; L122-M157 HydrophobicContact CD1-CB 3.51Å; L122-M157 HydrophobicContact CD1-CG 4.1Å
123	Q	95	Very high	94.1	Very high	110 Å²	110	41.5 Å²	41.5	51%	0.514	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	102	166.6	-169.7	68.8	32.1	0	0	108	S105 E107 H125	S105-Q123 PolarHBondContact O-NE2 2.91Å; E107-Q123 VanDerWaalsContact CG-OE1 3.23Å; Q123-H125 PolarHBondContact NE2-O 2.82Å
124	A	94.8	Very high	94.4	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	22%	0.22	C	C	.	.			trans	-95.4	-47.4	-173.1	0	0	0	0	0	112	G106 F108 L122 K151 W153	G106-A124 PolarHBondContact O-N 3.03Å; F108-A124 HydrophobicContact CD1-CB 3.77Å; F108-A124 HydrophobicContact CD2-CB 3.39Å; F108-A124 HydrophobicContact CE1-CB 3.62Å; F108-A124 HydrophobicContact CE2-CB 3.24Å; F108-A124 HydrophobicContact CG-CB 3.63Å; F108-A124 HydrophobicContact CZ-CB 3.33Å; L122-A124 PolarHBondContact O-N 3.35Å; A124-K151 WeakPolarHBondContact O-CD 3.47Å; A124-K151 PolarHBondContact O-NZ 3.16Å; A124-W153 HydrophobicContact CB-CH2 3.82Å; A124-W153 HydrophobicContact CB-CZ2 3.59Å
125	H	96.2	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.			trans	-122.4	158.5	179.1	-72.7	-97.7	0	0	0	110.9	G106 Q123 S127 T143 D145	G106-H125 WeakPolarHBondContact CA-O 3.33Å; G106-H125 PolarHBondContact O-N 2.95Å; Q123-H125 PolarHBondContact NE2-O 2.82Å; H125-S127 VanDerWaalsContact C-N 3.29Å; H125-S127 WeakPolarHBondContact CB-O 3.46Å; H125-T143 PolarHBondContact NE2-OG1 3.49Å; H125-D145 HydrophobicContact CB-CB 4.04Å; H125-D145 IonicContact CE1-OD2 3.06Å; H125-D145 IonicContact CG-OD2 3.79Å; H125-D145 WeakPolarHBondContact ND1-CB 3.34Å; H125-D145 VanDerWaalsContact ND1-CG 3.35Å; H125-D145 IonicContact ND1-OD2 3.54Å; H125-D145 PolarHBondContact ND1-OD2 3.45Å
126	D	94.9	Very high	95.1	Very high	140 Å²	140	44.4 Å²	44.4	75%	0.749	23%	0.226	S	C	*	.	S	Bend	trans	-84.6	-13.7	174.3	-60.2	-47.1	0	0	0	111.7
127	S	96.1	Very high	95.3	Very high	21 Å²	21	47.3 Å²	47.3	15%	0.147	24%	0.242	C	C	.	.	S	Bend	trans	-128.9	173.1	-176.6	-164.1	0	0	0	0	110.1	G106 H125 V129 Q146 D147	G106-S127 WeakPolarHBondContact CA-O 3.3Å; H125-S127 VanDerWaalsContact C-N 3.29Å; H125-S127 WeakPolarHBondContact CB-O 3.46Å; S127-V129 PolarHBondContact O-N 3.03Å; S127-Q146 WeakPolarHBondContact OG-CB 3.25Å; S127-D147 VanDerWaalsContact CB-OD1 3.3Å; S127-D147 WeakPolarHBondContact CB-OD1 3.23Å; S127-D147 WeakPolarHBondContact CB-OD2 3.44Å; S127-D147 PolarHBondContact OG-OD1 2.9Å
128	A	96.5	Very high	95.4	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	25%	0.254	C	S	.	.			trans	-59.2	127.5	-175.5	0	0	0	0	0	111.9	F88 S104 D145 Q146	F88-A128 HydrophobicContact CD2-CB 3.94Å; F88-A128 HydrophobicContact CE2-CB 3.7Å; S104-A128 VanDerWaalsContact O-CA 3.31Å; S104-A128 WeakPolarHBondContact O-CA 3.27Å; S104-A128 WeakPolarHBondContact O-CB 3.26Å; A128-D145 CarbonylContact O-C 3.58Å; A128-D145 VanDerWaalsContact O-CA 3.24Å; A128-D145 WeakPolarHBondContact O-CA 3.35Å; A128-D145 WeakPolarHBondContact O-CB 3.35Å; A128-Q146 HydrophobicContact CB-CB 4.15Å; A128-Q146 PolarHBondContact O-N 3.22Å
129	V	97.1	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.5	172.7	-174.2	0	0	0	0	108.2	F88 G103 F108 S127 M132	F88-V129 VanDerWaalsContact CB-O 3.29Å; F88-V129 WeakPolarHBondContact CB-O 3.27Å; G103-V129 PolarHBondContact O-N 3.38Å; F108-V129 HydrophobicContact CD1-CG2 4.09Å; F108-V129 HydrophobicContact CE1-CB 4.36Å; F108-V129 HydrophobicContact CE1-CG1 3.85Å; F108-V129 HydrophobicContact CE1-CG2 3.61Å; S127-V129 PolarHBondContact O-N 3.03Å; V129-M132 HydrophobicContact CG1-CG 3.61Å; V129-M132 HydrophobicContact CG1-SD 3.88Å
130	R	96.5	Very high	95.5	Very high	54 Å²	54	51.3 Å²	51.3	20%	0.204	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-35.3	-175	-70	-53	-174	-178.6	-5.5	114.3	S144 Q146 V170	R130-S144 PolarHBondContact N-O 3.29Å; R130-Q146 HydrophobicContact CG-CB 4.3Å; R130-V170 WeakPolarHBondContact CB-O 3.39Å
131	A	96.5	Very high	95.5	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.2	174.7	0	0	0	0	0	110.3	D89 T143 S144 L173	D89-A131 VanDerWaalsContact OD2-C 3.26Å; D89-A131 WeakPolarHBondContact OD2-CA 3.46Å; A131-T143 CarbonylContact O-C 3.57Å; A131-T143 VanDerWaalsContact O-CA 3.3Å; A131-T143 WeakPolarHBondContact O-CA 3.16Å; A131-S144 WeakPolarHBondContact CB-OG 3.44Å; A131-S144 PolarHBondContact N-OG 2.89Å; A131-S144 PolarHBondContact O-N 2.97Å; A131-L173 HydrophobicContact CB-CB 4.16Å; A131-L173 HydrophobicContact CB-CD1 3.9Å; A131-L173 HydrophobicContact CB-CG 3.85Å
132	M	96.3	Very high	95.6	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	127.2	177.5	-60.6	-173.4	-71.9	0	0	107.9	D89 I100 G102 F108 V129 V142 T143	D89-M132 HydrophobicContact CB-CE 3.88Å; D89-M132 WeakPolarHBondContact O-CE 2.92Å; D89-M132 PolarHBondContact OD2-N 2.78Å; I100-M132 HydrophobicContact CG2-SD 4.18Å; G102-M132 VanDerWaalsContact N-CE 3.32Å; F108-M132 HydrophobicContact CD1-SD 4.02Å; F108-M132 HydrophobicContact CE1-SD 3.68Å; F108-M132 HydrophobicContact CZ-SD 4.3Å; V129-M132 HydrophobicContact CG1-CG 3.61Å; V129-M132 HydrophobicContact CG1-SD 3.88Å; M132-V142 WeakPolarHBondContact CA-O 3.09Å; M132-T143 HydrophobicContact CB-CG2 4.09Å; M132-T143 HydrophobicContact CG-CG2 3.73Å; M132-T143 HydrophobicContact SD-CG2 4.43Å
133	I	96.6	Very high	95.7	Very high	44 Å²	44	42 Å²	42	23%	0.226	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.8	179.1	-169.5	172.8	0	0	0	110.8	M141 V142 L173 F175	I133-M141 CarbonylContact O-C 3.57Å; I133-M141 WeakPolarHBondContact O-CA 3.39Å; I133-V142 PolarHBondContact N-O 2.76Å; I133-V142 PolarHBondContact O-N 3.05Å; I133-L173 HydrophobicContact CB-CB 4.49Å; I133-L173 HydrophobicContact CG2-CB 3.61Å; I133-L173 HydrophobicContact CG2-CD1 4.27Å; I133-F175 HydrophobicContact CD1-CD2 4.18Å; I133-F175 HydrophobicContact CG1-CD2 4.13Å; I133-F175 HydrophobicContact CG2-CD2 3.78Å; I133-F175 HydrophobicContact CG2-CE2 3.76Å
134	W	96.5	Very high	95.8	Very high	28 Å²	28	36.8 Å²	36.8	11%	0.106	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	142.9	170.4	-73.7	93.2	0	0	0	111.1	W92 T93 P94 I100 M141 A155 M157 F175	W92-W134 VanDerWaalsContact O-CD1 3.32Å; W92-W134 PolarHBondContact O-NE1 3.39Å; T93-W134 HydrophobicContact CG2-CZ2 4.09Å; P94-W134 HydrophobicContact CG-CB 4.07Å; P94-W134 HydrophobicContact CG-CD2 3.77Å; P94-W134 HydrophobicContact CG-CE3 3.93Å; P94-W134 HydrophobicContact CG-CG 3.82Å; I100-W134 HydrophobicContact CD1-CZ2 3.77Å; W134-M141 HydrophobicContact CD2-CB 3.82Å; W134-M141 HydrophobicContact CD2-CG 4.28Å; W134-M141 HydrophobicContact CE3-CB 3.79Å; W134-M141 HydrophobicContact CH2-CB 3.98Å; W134-M141 HydrophobicContact CZ2-CB 4Å; W134-M141 HydrophobicContact CZ2-CG 4.37Å; W134-M141 HydrophobicContact CZ2-SD 3.88Å; W134-M141 HydrophobicContact CZ3-CB 3.88Å; W134-A155 HydrophobicContact CH2-CB 4.41Å; W134-A155 HydrophobicContact CZ3-CB 4.32Å; W134-M157 HydrophobicContact CH2-CE 4.11Å; W134-M157 HydrophobicContact CZ2-CE 3.89Å; W134-F175 WeakPolarHBondContact O-CD2 3.47Å
135	S	95.6	Very high	95.9	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	18%	0.182	C	C	.	.			trans	-64	152.6	165.5	52.6	0	0	0	0	111	N137 Q138 W140	S135-N137 PolarHBondContact O-N 3.48Å; S135-N137 PolarHBondContact OG-OD1 3.1Å; S135-Q138 PolarHBondContact O-N 3.38Å; S135-W140 WeakPolarHBondContact CB-O 3.3Å; S135-W140 PolarHBondContact N-O 2.94Å; S135-W140 WeakPolarHBondContact OG-CA 3.43Å; S135-W140 WeakPolarHBondContact OG-CB 3.25Å; S135-W140 PolarHBondContact OG-N 2.96Å; S135-W140 PolarHBondContact OG-O 3.15Å
136	N	93.6	Very high	95.9	Very high	97 Å²	97	39.4 Å²	39.4	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31	-179.1	-60	-66.4	0	0	0	111.8	Q138 A176 D179	N136-Q138 PolarHBondContact O-N 2.9Å; N136-A176 PolarHBondContact ND2-O 3.13Å; N136-D179 VanDerWaalsContact CB-OD1 3.28Å; N136-D179 WeakPolarHBondContact CB-OD1 2.81Å; N136-D179 PolarHBondContact N-OD1 3.27Å; N136-D179 PolarHBondContact N-OD2 2.95Å; N136-D179 PolarHBondContact ND2-OD1 3.13Å
137	N	93.7	Very high	95.9	Very high	68 Å²	68	36.4 Å²	36.4	36%	0.364	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.1	173.6	69.2	39.9	0	0	0	114.9	S135 Q139 D179	S135-N137 PolarHBondContact O-N 3.48Å; S135-N137 PolarHBondContact OG-OD1 3.1Å; N137-Q139 PolarHBondContact O-N 3.29Å; N137-Q139 VanDerWaalsContact O-N 3.13Å; N137-Q139 VanDerWaalsContact OD1-CB 3.26Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.42Å; N137-Q139 PolarHBondContact OD1-N 2.79Å; N137-D179 VanDerWaalsContact CB-OD2 3.26Å; N137-D179 WeakPolarHBondContact CB-OD2 3.5Å; N137-D179 VanDerWaalsContact CG-OD2 3.25Å; N137-D179 PolarHBondContact N-OD2 2.94Å; N137-D179 PolarHBondContact ND2-OD2 2.75Å
138	Q	93.2	Very high	95.9	Very high	104 Å²	104	35.4 Å²	35.4	49%	0.486	17%	0.171	S	C	.	.	S	Bend	trans	65.9	6.9	175.9	-46.7	179.8	6.6	0	0	115.7	P94 S135 N136	P94-Q138 HydrophobicContact CB-CB 3.73Å; P94-Q138 VanDerWaalsContact CB-CD 3.42Å; P94-Q138 HydrophobicContact CB-CG 3.45Å; P94-Q138 VanDerWaalsContact CB-CG 3.45Å; P94-Q138 HydrophobicContact CG-CB 3.77Å; P94-Q138 HydrophobicContact CG-CG 3.87Å; S135-Q138 PolarHBondContact O-N 3.38Å; N136-Q138 PolarHBondContact O-N 2.9Å
139	Q	93.9	Very high	95.9	Very high	124 Å²	124	38.8 Å²	38.8	58%	0.579	18%	0.183	S	C	*	.	S	Bend	trans	-88.4	-33.4	-177.7	-60.8	-176.7	-12.4	0	0	112.4	N137 A155	N137-Q139 PolarHBondContact O-N 3.29Å; N137-Q139 VanDerWaalsContact O-N 3.13Å; N137-Q139 VanDerWaalsContact OD1-CB 3.26Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.42Å; N137-Q139 PolarHBondContact OD1-N 2.79Å; Q139-A155 PolarHBondContact O-N 2.99Å
140	W	95.5	Very high	95.9	Very high	60 Å²	60	38.8 Å²	38.8	23%	0.227	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.7	-173.1	-61	98.6	0	0	0	111.6	S135 W153 Q154 V160 F196	S135-W140 WeakPolarHBondContact CB-O 3.3Å; S135-W140 PolarHBondContact N-O 2.94Å; S135-W140 WeakPolarHBondContact OG-CA 3.43Å; S135-W140 WeakPolarHBondContact OG-CB 3.25Å; S135-W140 PolarHBondContact OG-N 2.96Å; S135-W140 PolarHBondContact OG-O 3.15Å; W140-W153 WeakPolarHBondContact CA-O 3.1Å; W140-Q154 HydrophobicContact CE3-CG 4.4Å; W140-Q154 HydrophobicContact CH2-CG 4.25Å; W140-Q154 HydrophobicContact CZ3-CG 3.91Å; W140-V160 HydrophobicContact CH2-CG1 4.25Å; W140-V160 HydrophobicContact CH2-CG2 4.19Å; W140-V160 HydrophobicContact CZ3-CB 4.02Å; W140-V160 HydrophobicContact CZ3-CG1 4.2Å; W140-V160 HydrophobicContact CZ3-CG2 3.71Å; W140-F196 HydrophobicContact CB-CE2 4.19Å; W140-F196 HydrophobicContact CB-CZ 3.75Å; W140-F196 AromaticContact CD1-CE1 3.92Å; W140-F196 AromaticContact CD1-CZ 3.61Å; W140-F196 HydrophobicContact CD2-CE1 4.27Å; W140-F196 AromaticContact CD2-CZ 3.69Å; W140-F196 HydrophobicContact CD2-CZ 3.69Å; W140-F196 HydrophobicContact CE3-CZ 4.31Å; W140-F196 HydrophobicContact CG-CE1 4.12Å; W140-F196 HydrophobicContact CG-CE2 4.3Å; W140-F196 AromaticContact CG-CZ 3.39Å; W140-F196 HydrophobicContact CG-CZ 3.39Å; W140-F196 AromaticContact NE1-CE1 3.95Å; W140-F196 AromaticContact NE1-CZ 4Å
141	M	96.4	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.7	165.6	177.2	-176.6	74.1	0	0	108.1	I100 F108 I133 W134 T143 W153 M157	I100-M141 HydrophobicContact CD1-SD 3.87Å; F108-M141 HydrophobicContact CD2-CE 4.44Å; F108-M141 HydrophobicContact CE2-CE 3.92Å; I133-M141 CarbonylContact O-C 3.57Å; I133-M141 WeakPolarHBondContact O-CA 3.39Å; W134-M141 HydrophobicContact CD2-CB 3.82Å; W134-M141 HydrophobicContact CD2-CG 4.28Å; W134-M141 HydrophobicContact CE3-CB 3.79Å; W134-M141 HydrophobicContact CH2-CB 3.98Å; W134-M141 HydrophobicContact CZ2-CB 4Å; W134-M141 HydrophobicContact CZ2-CG 4.37Å; W134-M141 HydrophobicContact CZ2-SD 3.88Å; W134-M141 HydrophobicContact CZ3-CB 3.88Å; M141-T143 HydrophobicContact CE-CG2 3.89Å; M141-T143 HydrophobicContact CG-CG2 4.02Å; M141-T143 HydrophobicContact SD-CG2 4.23Å; M141-W153 HydrophobicContact CB-CB 4.08Å; M141-W153 HydrophobicContact CE-CB 3.61Å; M141-W153 HydrophobicContact CE-CD2 4.29Å; M141-W153 HydrophobicContact CE-CG 3.61Å; M141-W153 PolarHBondContact N-O 3.46Å; M141-W153 PolarHBondContact O-N 3.25Å; M141-M157 HydrophobicContact CE-CE 4.3Å; M141-M157 HydrophobicContact CE-SD 3.68Å
142	V	96.9	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.1	177	176.1	0	0	0	0	108	M132 I133 V150 K151 Y152 L173 F175 F196	M132-V142 WeakPolarHBondContact CA-O 3.09Å; I133-V142 PolarHBondContact N-O 2.76Å; I133-V142 PolarHBondContact O-N 3.05Å; V142-V150 HydrophobicContact CG1-CG1 3.33Å; V142-K151 WeakPolarHBondContact CA-O 3.36Å; V142-Y152 HydrophobicContact CG2-CD1 4Å; V142-Y152 HydrophobicContact CG2-CE1 4.08Å; V142-L173 HydrophobicContact CG1-CD1 3.99Å; V142-L173 HydrophobicContact CG1-CD2 4.38Å; V142-F175 HydrophobicContact CB-CE2 4.16Å; V142-F175 HydrophobicContact CB-CZ 4.09Å; V142-F175 HydrophobicContact CG2-CE1 4.44Å; V142-F175 HydrophobicContact CG2-CE2 4.03Å; V142-F175 HydrophobicContact CG2-CZ 3.47Å; V142-F175 VanDerWaalsContact CG2-CZ 3.47Å; V142-F196 HydrophobicContact CG2-CE2 4.13Å
143	T	97.6	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150	-177.1	66.2	0	0	0	0	110.7	F108 H125 A131 M132 M141 V150 K151 W153	F108-T143 HydrophobicContact CE1-CG2 4.38Å; F108-T143 HydrophobicContact CE2-CG2 4.17Å; F108-T143 HydrophobicContact CZ-CG2 3.56Å; H125-T143 PolarHBondContact NE2-OG1 3.49Å; A131-T143 CarbonylContact O-C 3.57Å; A131-T143 VanDerWaalsContact O-CA 3.3Å; A131-T143 WeakPolarHBondContact O-CA 3.16Å; M132-T143 HydrophobicContact CB-CG2 4.09Å; M132-T143 HydrophobicContact CG-CG2 3.73Å; M132-T143 HydrophobicContact SD-CG2 4.43Å; M141-T143 HydrophobicContact CE-CG2 3.89Å; M141-T143 HydrophobicContact CG-CG2 4.02Å; M141-T143 HydrophobicContact SD-CG2 4.23Å; T143-V150 CarbonylContact O-C 3.55Å; T143-V150 VanDerWaalsContact O-CA 3.26Å; T143-V150 WeakPolarHBondContact O-CA 3.32Å; T143-K151 PolarHBondContact N-O 2.95Å; T143-K151 PolarHBondContact O-N 3.25Å; T143-W153 PolarHBondContact OG1-NE1 2.94Å
144	S	97	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.6	178	72.6	0	0	0	0	112.5	R130 A131 Y149 V170	R130-S144 PolarHBondContact N-O 3.29Å; A131-S144 WeakPolarHBondContact CB-OG 3.44Å; A131-S144 PolarHBondContact N-OG 2.89Å; A131-S144 PolarHBondContact O-N 2.97Å; S144-Y149 WeakPolarHBondContact CA-O 3.26Å; S144-V170 WeakPolarHBondContact OG-CG1 3.39Å; S144-V170 PolarHBondContact OG-O 3.05Å; S144-V170 VanDerWaalsContact OG-O 3.05Å
145	D	96.7	Very high	95.7	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	177.7	177.5	62	26.3	0	0	0	114	H125 A128 D147 G148 Y149 V170	H125-D145 HydrophobicContact CB-CB 4.04Å; H125-D145 IonicContact CE1-OD2 3.06Å; H125-D145 IonicContact CG-OD2 3.79Å; H125-D145 WeakPolarHBondContact ND1-CB 3.34Å; H125-D145 VanDerWaalsContact ND1-CG 3.35Å; H125-D145 IonicContact ND1-OD2 3.54Å; H125-D145 PolarHBondContact ND1-OD2 3.45Å; A128-D145 CarbonylContact O-C 3.58Å; A128-D145 VanDerWaalsContact O-CA 3.24Å; A128-D145 WeakPolarHBondContact O-CA 3.35Å; A128-D145 WeakPolarHBondContact O-CB 3.35Å; D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 2.89Å; D145-D147 PolarHBondContact OD1-N 3.04Å; D145-D147 VanDerWaalsContact OD1-N 3.08Å; D145-G148 PolarHBondContact O-N 3.46Å; D145-G148 PolarHBondContact OD1-N 2.81Å; D145-Y149 PolarHBondContact N-O 2.86Å; D145-Y149 VanDerWaalsContact N-O 3.16Å; D145-Y149 PolarHBondContact OD1-N 3.44Å; D145-V170 PolarHBondContact O-N 3.28Å; D145-V170 VanDerWaalsContact O-N 3.15Å
146	Q	96.4	Very high	95.6	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.9	176.1	179.7	72.3	39.2	0	0	113.4	S127 A128 R130 A169	S127-Q146 WeakPolarHBondContact OG-CB 3.25Å; A128-Q146 HydrophobicContact CB-CB 4.15Å; A128-Q146 PolarHBondContact O-N 3.22Å; R130-Q146 HydrophobicContact CG-CB 4.3Å; Q146-A169 HydrophobicContact CB-CB 4.42Å; Q146-A169 VanDerWaalsContact CD-CB 3.46Å; Q146-A169 HydrophobicContact CG-CB 4.25Å; Q146-A169 WeakPolarHBondContact O-CA 3.47Å; Q146-A169 VanDerWaalsContact O-CB 3.29Å; Q146-A169 WeakPolarHBondContact O-CB 3.39Å; Q146-A169 PolarHBondContact O-N 2.94Å
147	D	96	Very high	95.5	Very high	78 Å²	78	40.3 Å²	40.3	42%	0.417	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6	179.9	-67.9	1.7	0	0	0	112.4	S127 D145 Y149	S127-D147 VanDerWaalsContact CB-OD1 3.3Å; S127-D147 WeakPolarHBondContact CB-OD1 3.23Å; S127-D147 WeakPolarHBondContact CB-OD2 3.44Å; S127-D147 PolarHBondContact OG-OD1 2.9Å; D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 2.89Å; D145-D147 PolarHBondContact OD1-N 3.04Å; D145-D147 VanDerWaalsContact OD1-N 3.08Å; D147-Y149 HydrophobicContact CB-CD2 3.94Å; D147-Y149 HydrophobicContact CB-CE2 4.14Å
148	G	95.2	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	94.3	11.1	174.3	0	0	0	0	0	114.6	D145 A165 H166 E168	D145-G148 PolarHBondContact O-N 3.46Å; D145-G148 PolarHBondContact OD1-N 2.81Å; G148-A165 PolarHBondContact O-N 3.43Å; G148-H166 PolarHBondContact O-N 2.85Å; G148-H166 VanDerWaalsContact O-N 3.17Å; G148-E168 VanDerWaalsContact CA-O 3.26Å; G148-E168 WeakPolarHBondContact CA-O 3.37Å
149	Y	97.2	Very high	95.6	Very high	78 Å²	78	39.1 Å²	39.1	31%	0.306	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.1	173.6	-64.6	-83.7	0	0	0	111.4	S144 D145 D147 M162 F163 Q164	S144-Y149 WeakPolarHBondContact CA-O 3.26Å; D145-Y149 PolarHBondContact N-O 2.86Å; D145-Y149 VanDerWaalsContact N-O 3.16Å; D145-Y149 PolarHBondContact OD1-N 3.44Å; D147-Y149 HydrophobicContact CB-CD2 3.94Å; D147-Y149 HydrophobicContact CB-CE2 4.14Å; Y149-M162 HydrophobicContact CD1-CE 3.63Å; Y149-M162 HydrophobicContact CE1-CE 3.99Å; Y149-M162 HydrophobicContact CG-CE 4.12Å; Y149-F163 WeakPolarHBondContact CA-O 3.47Å; Y149-Q164 HydrophobicContact CD1-CB 4Å; Y149-Q164 HydrophobicContact CD1-CG 4.45Å; Y149-Q164 HydrophobicContact CE1-CB 3.81Å; Y149-Q164 HydrophobicContact CE1-CG 4.2Å
150	V	97.2	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.2	172.2	175.5	0	0	0	0	108.5	V142 T143 M162 F163 A165 F182 T184	V142-V150 HydrophobicContact CG1-CG1 3.33Å; T143-V150 CarbonylContact O-C 3.55Å; T143-V150 VanDerWaalsContact O-CA 3.26Å; T143-V150 WeakPolarHBondContact O-CA 3.32Å; V150-M162 WeakPolarHBondContact O-CA 3.26Å; V150-F163 HydrophobicContact CB-CD1 4.15Å; V150-F163 HydrophobicContact CB-CE1 3.47Å; V150-F163 VanDerWaalsContact CB-CE1 3.47Å; V150-F163 HydrophobicContact CB-CE2 4.37Å; V150-F163 HydrophobicContact CB-CZ 3.61Å; V150-F163 HydrophobicContact CG1-CD1 4.47Å; V150-F163 HydrophobicContact CG1-CE1 3.52Å; V150-F163 HydrophobicContact CG1-CZ 3.84Å; V150-F163 HydrophobicContact CG2-CE1 4.48Å; V150-F163 HydrophobicContact CG2-CZ 4.15Å; V150-F163 PolarHBondContact N-O 3.37Å; V150-F163 PolarHBondContact O-N 3.29Å; V150-A165 HydrophobicContact CB-CB 4.35Å; V150-A165 HydrophobicContact CG2-CB 3.56Å; V150-F182 HydrophobicContact CG1-CE2 4.33Å; V150-T184 HydrophobicContact CG2-CG2 4.11Å
151	K	97	Very high	95.5	Very high	13 Å²	13	35 Å²	35	6%	0.057	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.5	-177.6	-69.2	-175.9	174.1	167.1	0	110.9	A124 V142 T143 W153 A161 M162	A124-K151 WeakPolarHBondContact O-CD 3.47Å; A124-K151 PolarHBondContact O-NZ 3.16Å; V142-K151 WeakPolarHBondContact CA-O 3.36Å; T143-K151 PolarHBondContact N-O 2.95Å; T143-K151 PolarHBondContact O-N 3.25Å; K151-W153 HydrophobicContact CB-CZ2 4.37Å; K151-W153 HydrophobicContact CD-CZ2 4.17Å; K151-A161 WeakPolarHBondContact CA-O 3.28Å; K151-M162 HydrophobicContact CG-CB 3.79Å
152	Y	96.9	Very high	95.5	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.6	176.9	-68.5	-110.4	0	0	0	109.9	V142 V160 A161 F163 F182 F196 L199	V142-Y152 HydrophobicContact CG2-CD1 4Å; V142-Y152 HydrophobicContact CG2-CE1 4.08Å; Y152-V160 PolarHBondContact O-N 2.93Å; Y152-A161 HydrophobicContact CD2-CB 4.16Å; Y152-A161 PolarHBondContact N-O 3.44Å; Y152-F163 HydrophobicContact CD2-CE1 4.49Å; Y152-F163 AromaticContact CE2-CD1 3.7Å; Y152-F163 HydrophobicContact CE2-CD1 3.7Å; Y152-F163 AromaticContact CE2-CE1 3.44Å; Y152-F163 HydrophobicContact CE2-CE1 3.44Å; Y152-F163 VanDerWaalsContact CE2-CE1 3.44Å; Y152-F182 WeakPolarHBondContact OH-CE1 3.47Å; Y152-F182 WeakPolarHBondContact OH-CZ 3.17Å; Y152-F196 HydrophobicContact CD1-CD2 4.33Å; Y152-F196 AromaticContact CD1-CE2 3.61Å; Y152-F196 HydrophobicContact CD1-CE2 3.61Å; Y152-F196 AromaticContact CD1-CZ 3.81Å; Y152-F196 HydrophobicContact CD1-CZ 3.81Å; Y152-F196 AromaticContact CE1-CD2 3.54Å; Y152-F196 HydrophobicContact CE1-CD2 3.54Å; Y152-F196 AromaticContact CE1-CE2 3.29Å; Y152-F196 HydrophobicContact CE1-CE2 3.29Å; Y152-F196 HydrophobicContact CE1-CG 4.27Å; Y152-F196 AromaticContact CE1-CZ 3.81Å; Y152-F196 HydrophobicContact CE1-CZ 3.81Å; Y152-L199 HydrophobicContact CD2-CD2 4.1Å; Y152-L199 HydrophobicContact CE1-CD2 3.92Å; Y152-L199 HydrophobicContact CE2-CD2 3.25Å; Y152-L199 WeakPolarHBondContact OH-CD2 3.23Å
153	W	96.5	Very high	95.4	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.045	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.8	-177.9	-59.1	90.1	0	0	0	110	F108 A124 W140 M141 T143 K151 M157 N158 N159	F108-W153 HydrophobicContact CE2-CD2 4.1Å; F108-W153 AromaticContact CE2-CE2 3.59Å; F108-W153 HydrophobicContact CE2-CH2 4.27Å; F108-W153 AromaticContact CE2-CZ2 3.72Å; F108-W153 HydrophobicContact CE2-CZ2 3.72Å; F108-W153 AromaticContact CE2-NE1 3.77Å; F108-W153 HydrophobicContact CZ-CZ2 4.29Å; F108-W153 AromaticContact CZ-NE1 4Å; A124-W153 HydrophobicContact CB-CH2 3.82Å; A124-W153 HydrophobicContact CB-CZ2 3.59Å; W140-W153 WeakPolarHBondContact CA-O 3.1Å; M141-W153 HydrophobicContact CB-CB 4.08Å; M141-W153 HydrophobicContact CE-CB 3.61Å; M141-W153 HydrophobicContact CE-CD2 4.29Å; M141-W153 HydrophobicContact CE-CG 3.61Å; M141-W153 PolarHBondContact N-O 3.46Å; M141-W153 PolarHBondContact O-N 3.25Å; T143-W153 PolarHBondContact OG1-NE1 2.94Å; K151-W153 HydrophobicContact CB-CZ2 4.37Å; K151-W153 HydrophobicContact CD-CZ2 4.17Å; W153-M157 VanDerWaalsContact CE3-O 3.32Å; W153-M157 VanDerWaalsContact CZ3-O 3.3Å; W153-M157 WeakPolarHBondContact CZ3-O 3.39Å; W153-N158 WeakPolarHBondContact CA-O 3.33Å; W153-N159 HydrophobicContact CE3-CB 4.04Å; W153-N159 HydrophobicContact CH2-CB 3.82Å; W153-N159 HydrophobicContact CZ2-CB 4.31Å; W153-N159 HydrophobicContact CZ3-CB 3.67Å
154	Q	94.8	Very high	95.3	Very high	67 Å²	67	45.9 Å²	45.9	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	163.5	165.4	-76.2	172.8	-3.8	0	0	110.3	W140 N156 M157 N158 V160	W140-Q154 HydrophobicContact CE3-CG 4.4Å; W140-Q154 HydrophobicContact CH2-CG 4.25Å; W140-Q154 HydrophobicContact CZ3-CG 3.91Å; Q154-N156 WeakPolarHBondContact CB-OD1 3.39Å; Q154-N156 PolarHBondContact O-N 3.35Å; Q154-M157 WeakPolarHBondContact O-CA 3.26Å; Q154-M157 PolarHBondContact O-N 2.83Å; Q154-N158 PolarHBondContact N-O 2.84Å; Q154-V160 HydrophobicContact CG-CG2 3.68Å
155	A	92.2	Very high	95.2	Very high	57 Å²	57	46 Å²	46	47%	0.471	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.9	176.8	0	0	0	0	0	114.8	W134 Q139 M157	W134-A155 HydrophobicContact CH2-CB 4.41Å; W134-A155 HydrophobicContact CZ3-CB 4.32Å; Q139-A155 PolarHBondContact O-N 2.99Å; A155-M157 PolarHBondContact O-N 3.14Å
156	N	92.7	Very high	95.1	Very high	107 Å²	107	45.9 Å²	45.9	57%	0.572	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	7.5	174.6	64.7	3.3	0	0	0	114.1	Q154 N158	Q154-N156 WeakPolarHBondContact CB-OD1 3.39Å; Q154-N156 PolarHBondContact O-N 3.35Å; N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 3.08Å; N156-N158 WeakPolarHBondContact OD1-CB 3.14Å; N156-N158 PolarHBondContact OD1-N 3.44Å
157	M	92.7	Very high	95	Very high	16 Å²	16	53.8 Å²	53.8	8%	0.079	27%	0.269	C	S	.	.			trans	62.9	27.6	-174.8	-55.6	-63.5	153.7	0	0	114.8	I100 L110 L122 W134 M141 W153 Q154 A155	I100-M157 HydrophobicContact CD1-CE 3.22Å; I100-M157 HydrophobicContact CD1-SD 4.31Å; I100-M157 HydrophobicContact CG1-CE 3.95Å; L110-M157 HydrophobicContact CD2-CG 3.96Å; L122-M157 HydrophobicContact CD1-CB 3.51Å; L122-M157 HydrophobicContact CD1-CG 4.1Å; W134-M157 HydrophobicContact CH2-CE 4.11Å; W134-M157 HydrophobicContact CZ2-CE 3.89Å; M141-M157 HydrophobicContact CE-CE 4.3Å; M141-M157 HydrophobicContact CE-SD 3.68Å; W153-M157 VanDerWaalsContact CE3-O 3.32Å; W153-M157 VanDerWaalsContact CZ3-O 3.3Å; W153-M157 WeakPolarHBondContact CZ3-O 3.39Å; Q154-M157 WeakPolarHBondContact O-CA 3.26Å; Q154-M157 PolarHBondContact O-N 2.83Å; A155-M157 PolarHBondContact O-N 3.14Å
158	N	94.6	Very high	94.9	Very high	87 Å²	87	54.8 Å²	54.8	47%	0.465	27%	0.271	S	S	.	.			trans	-83.6	130.8	169.8	-170.6	24	0	0	0	110.9	W153 Q154 N156 V160	W153-N158 WeakPolarHBondContact CA-O 3.33Å; Q154-N158 PolarHBondContact N-O 2.84Å; N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 3.08Å; N156-N158 WeakPolarHBondContact OD1-CB 3.14Å; N156-N158 PolarHBondContact OD1-N 3.44Å; N158-V160 PolarHBondContact O-N 3.38Å
159	N	94.2	Very high	95	Very high	60 Å²	60	54.9 Å²	54.9	32%	0.321	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.2	172.9	-177.4	-15.3	0	0	0	109.2	W153 A161	W153-N159 HydrophobicContact CE3-CB 4.04Å; W153-N159 HydrophobicContact CH2-CB 3.82Å; W153-N159 HydrophobicContact CZ2-CB 4.31Å; W153-N159 HydrophobicContact CZ3-CB 3.67Å; N159-A161 PolarHBondContact OD1-N 3.36Å; N159-A161 PolarHBondContact OD1-O 3.37Å
160	V	93.9	Very high	95	Very high	71 Å²	71	51.1 Å²	51.1	43%	0.43	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-45.3	-178.5	177.7	0	0	0	0	111.9	W140 Y152 Q154 N158	W140-V160 HydrophobicContact CH2-CG1 4.25Å; W140-V160 HydrophobicContact CH2-CG2 4.19Å; W140-V160 HydrophobicContact CZ3-CB 4.02Å; W140-V160 HydrophobicContact CZ3-CG1 4.2Å; W140-V160 HydrophobicContact CZ3-CG2 3.71Å; Y152-V160 PolarHBondContact O-N 2.93Å; Q154-V160 HydrophobicContact CG-CG2 3.68Å; N158-V160 PolarHBondContact O-N 3.38Å
161	A	94.1	Very high	94.9	Very high	25 Å²	25	54 Å²	54	21%	0.207	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	151.2	-174.7	0	0	0	0	0	110.6	K151 Y152 N159 L199	K151-A161 WeakPolarHBondContact CA-O 3.28Å; Y152-A161 HydrophobicContact CD2-CB 4.16Å; Y152-A161 PolarHBondContact N-O 3.44Å; N159-A161 PolarHBondContact OD1-N 3.36Å; N159-A161 PolarHBondContact OD1-O 3.37Å; A161-L199 HydrophobicContact CB-CD1 3.87Å
162	M	94.6	Very high	94.8	Very high	97 Å²	97	53.9 Å²	53.9	48%	0.478	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.1	171	69.7	177.9	-72.2	0	0	109.9	Y149 V150 K151	Y149-M162 HydrophobicContact CD1-CE 3.63Å; Y149-M162 HydrophobicContact CE1-CE 3.99Å; Y149-M162 HydrophobicContact CG-CE 4.12Å; V150-M162 WeakPolarHBondContact O-CA 3.26Å; K151-M162 HydrophobicContact CG-CB 3.79Å
163	F	95.8	Very high	94.8	Very high	26 Å²	26	54.4 Å²	54.4	11%	0.114	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.4	174.2	73.3	-79.1	0	0	0	109.9	Y149 V150 Y152 A165 F182 W194 L199	Y149-F163 WeakPolarHBondContact CA-O 3.47Å; V150-F163 HydrophobicContact CB-CD1 4.15Å; V150-F163 HydrophobicContact CB-CE1 3.47Å; V150-F163 VanDerWaalsContact CB-CE1 3.47Å; V150-F163 HydrophobicContact CB-CE2 4.37Å; V150-F163 HydrophobicContact CB-CZ 3.61Å; V150-F163 HydrophobicContact CG1-CD1 4.47Å; V150-F163 HydrophobicContact CG1-CE1 3.52Å; V150-F163 HydrophobicContact CG1-CZ 3.84Å; V150-F163 HydrophobicContact CG2-CE1 4.48Å; V150-F163 HydrophobicContact CG2-CZ 4.15Å; V150-F163 PolarHBondContact N-O 3.37Å; V150-F163 PolarHBondContact O-N 3.29Å; Y152-F163 HydrophobicContact CD2-CE1 4.49Å; Y152-F163 AromaticContact CE2-CD1 3.7Å; Y152-F163 HydrophobicContact CE2-CD1 3.7Å; Y152-F163 AromaticContact CE2-CE1 3.44Å; Y152-F163 HydrophobicContact CE2-CE1 3.44Å; Y152-F163 VanDerWaalsContact CE2-CE1 3.44Å; F163-A165 HydrophobicContact CD2-CB 4.26Å; F163-A165 HydrophobicContact CE2-CB 3.54Å; F163-A165 HydrophobicContact CZ-CB 4.08Å; F163-A165 PolarHBondContact O-N 3.41Å; F163-F182 HydrophobicContact CE1-CZ 4.05Å; F163-F182 HydrophobicContact CZ-CE2 4.14Å; F163-F182 AromaticContact CZ-CZ 3.71Å; F163-F182 HydrophobicContact CZ-CZ 3.71Å; F163-W194 HydrophobicContact CD2-CE3 4.12Å; F163-W194 HydrophobicContact CD2-CH2 4.09Å; F163-W194 AromaticContact CD2-CZ3 3.77Å; F163-W194 HydrophobicContact CD2-CZ3 3.77Å; F163-W194 AromaticContact CE2-CD2 3.61Å; F163-W194 HydrophobicContact CE2-CD2 3.61Å; F163-W194 AromaticContact CE2-CE2 3.79Å; F163-W194 AromaticContact CE2-CE3 3.39Å; F163-W194 HydrophobicContact CE2-CE3 3.39Å; F163-W194 HydrophobicContact CE2-CG 4.44Å; F163-W194 AromaticContact CE2-CH2 3.65Å; F163-W194 HydrophobicContact CE2-CH2 3.65Å; F163-W194 AromaticContact CE2-CZ2 3.84Å; F163-W194 HydrophobicContact CE2-CZ2 3.84Å; F163-W194 AromaticContact CE2-CZ3 3.39Å; F163-W194 HydrophobicContact CE2-CZ3 3.39Å; F163-W194 AromaticContact CZ-CD2 3.93Å; F163-W194 HydrophobicContact CZ-CD2 3.93Å; F163-W194 AromaticContact CZ-CE3 3.99Å; F163-W194 HydrophobicContact CZ-CE3 3.99Å; F163-W194 HydrophobicContact CZ-CG 4.31Å; F163-W194 HydrophobicContact CZ-CZ3 4.41Å; F163-L199 HydrophobicContact CD1-CD2 4.47Å
164	Q	95.9	Very high	94.8	Very high	107 Å²	107	54 Å²	54	50%	0.5	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107	176.5	-171.1	168.3	15.9	0	0	109.2	Y149 H166	Y149-Q164 HydrophobicContact CD1-CB 4Å; Y149-Q164 HydrophobicContact CD1-CG 4.45Å; Y149-Q164 HydrophobicContact CE1-CB 3.81Å; Y149-Q164 HydrophobicContact CE1-CG 4.2Å; Q164-H166 WeakPolarHBondContact CG-O 3.3Å
165	A	94.8	Very high	94.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.259	C	S	.	.			trans	-83.8	-45.4	-177.1	0	0	0	0	0	111.6	G148 V150 F163 V170 T184 R192 W194	G148-A165 PolarHBondContact O-N 3.43Å; V150-A165 HydrophobicContact CB-CB 4.35Å; V150-A165 HydrophobicContact CG2-CB 3.56Å; F163-A165 HydrophobicContact CD2-CB 4.26Å; F163-A165 HydrophobicContact CE2-CB 3.54Å; F163-A165 HydrophobicContact CZ-CB 4.08Å; F163-A165 PolarHBondContact O-N 3.41Å; A165-V170 HydrophobicContact CB-CG2 4.45Å; A165-T184 HydrophobicContact CB-CG2 4.37Å; A165-R192 VanDerWaalsContact O-CZ 3.24Å; A165-R192 PolarHBondContact O-NH1 2.86Å; A165-W194 VanDerWaalsContact CA-CZ2 3.43Å; A165-W194 HydrophobicContact CB-CH2 4.28Å; A165-W194 HydrophobicContact CB-CZ2 3.62Å; A165-W194 WeakPolarHBondContact O-CZ2 3.49Å
166	H	94.5	Very high	95	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.238	C	C	.	.			trans	-128	162.3	-179.8	-70.6	-104.9	0	0	0	110.5	G148 Q164 E168 V170 T184 D188 T190	G148-H166 PolarHBondContact O-N 2.85Å; G148-H166 VanDerWaalsContact O-N 3.17Å; Q164-H166 WeakPolarHBondContact CG-O 3.3Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 WeakPolarHBondContact CB-O 3.37Å; H166-V170 HydrophobicContact CB-CG2 3.84Å; H166-V170 VanDerWaalsContact CD2-CG2 3.45Å; H166-V170 WeakPolarHBondContact CD2-CG2 3.48Å; H166-T184 PolarHBondContact CD2-OG1 3.05Å; H166-T184 WeakPolarHBondContact NE2-CB 3.2Å; H166-T184 PolarHBondContact NE2-OG1 3.45Å; H166-D188 IonicContact CE1-OD1 2.76Å; H166-D188 PolarHBondContact CE1-OD1 3Å; H166-D188 IonicContact CE1-OD2 2.72Å; H166-D188 IonicContact CG-OD2 2.72Å; H166-D188 IonicContact ND1-OD1 3.68Å; H166-D188 PolarHBondContact ND1-OD1 3.44Å; H166-D188 IonicContact ND1-OD2 2.72Å; H166-D188 PolarHBondContact ND1-OD2 3.48Å; H166-T190 PolarHBondContact CE1-O 3.39Å; H166-T190 PolarHBondContact CE1-OG1 2.98Å
167	R	93.2	Very high	95.1	Very high	221 Å²	221	46.4 Å²	46.4	83%	0.834	23%	0.228	S	C	*	.	S	Bend	trans	-83.2	-15.4	171.9	-67	-177.7	-179.3	173	0.2	112.5
168	E	95.6	Very high	95.1	Very high	98 Å²	98	49 Å²	49	46%	0.458	25%	0.248	S	C	.	.	S	Bend	trans	-125.4	179.7	180	-59.4	-174.4	-179	0	0	109	G148 H166 D187 D188	G148-E168 VanDerWaalsContact CA-O 3.26Å; G148-E168 WeakPolarHBondContact CA-O 3.37Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 WeakPolarHBondContact CB-O 3.37Å; E168-D187 HydrophobicContact CB-CB 4.04Å; E168-D188 HydrophobicContact CB-CB 4.28Å; E168-D188 HydrophobicContact CG-CB 4.22Å; E168-D188 WeakPolarHBondContact OE2-CA 3.39Å; E168-D188 PolarHBondContact OE2-N 3.42Å; E168-D188 VanDerWaalsContact OE2-N 3.15Å
169	A	95.9	Very high	95.1	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	23%	0.23	C	C	.	.			trans	-59.8	137.4	-174.7	0	0	0	0	0	113	Q146 G186 D187	Q146-A169 HydrophobicContact CB-CB 4.42Å; Q146-A169 VanDerWaalsContact CD-CB 3.46Å; Q146-A169 HydrophobicContact CG-CB 4.25Å; Q146-A169 WeakPolarHBondContact O-CA 3.47Å; Q146-A169 VanDerWaalsContact O-CB 3.29Å; Q146-A169 WeakPolarHBondContact O-CB 3.39Å; Q146-A169 PolarHBondContact O-N 2.94Å; A169-G186 CarbonylContact O-C 3.52Å; A169-G186 WeakPolarHBondContact O-CA 3.05Å; A169-D187 HydrophobicContact CB-CB 4.48Å; A169-D187 WeakPolarHBondContact CB-OD2 3.36Å; A169-D187 PolarHBondContact O-N 3.08Å
170	V	96.9	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.1	172.5	175.3	0	0	0	0	108.3	R130 S144 D145 A165 H166 L173 T184 G185	R130-V170 WeakPolarHBondContact CB-O 3.39Å; S144-V170 WeakPolarHBondContact OG-CG1 3.39Å; S144-V170 PolarHBondContact OG-O 3.05Å; S144-V170 VanDerWaalsContact OG-O 3.05Å; D145-V170 PolarHBondContact O-N 3.28Å; D145-V170 VanDerWaalsContact O-N 3.15Å; A165-V170 HydrophobicContact CB-CG2 4.45Å; H166-V170 HydrophobicContact CB-CG2 3.84Å; H166-V170 VanDerWaalsContact CD2-CG2 3.45Å; H166-V170 WeakPolarHBondContact CD2-CG2 3.48Å; V170-L173 HydrophobicContact CG1-CD2 4.3Å; V170-T184 HydrophobicContact CG1-CG2 4.25Å; V170-G185 CarbonylContact C-O 3.56Å; V170-G185 WeakPolarHBondContact CA-O 3.31Å
171	R	95.9	Very high	95.2	Very high	59 Å²	59	47.7 Å²	47.7	22%	0.223	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-28.2	-172.8	-62.6	-63.4	-175.8	-171.1	-7.7	114.2	G185 D187 R213	R171-G185 PolarHBondContact N-O 2.71Å; R171-D187 WeakPolarHBondContact CG-OD1 3.47Å; R171-D187 IonicContact CZ-OD1 3.54Å; R171-D187 IonicContact CZ-OD2 2.94Å; R171-D187 VanDerWaalsContact CZ-OD2 3.3Å; R171-D187 IonicContact NE-OD1 2.82Å; R171-D187 PolarHBondContact NE-OD1 3.43Å; R171-D187 IonicContact NE-OD2 3.67Å; R171-D187 PolarHBondContact NE-OD2 2.65Å; R171-D187 VanDerWaalsContact NE-OD2 3.12Å; R171-D187 IonicContact NH2-OD1 3.83Å; R171-D187 IonicContact NH2-OD2 3.96Å; R171-D187 PolarHBondContact NH2-OD2 3.2Å; R171-R213 WeakPolarHBondContact CB-O 3.49Å
172	A	95.6	Very high	95.3	Very high	12 Å²	12	46.6 Å²	46.6	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.7	-175.3	0	0	0	0	0	111.8	T184 G185 R213 V215	A172-T184 WeakPolarHBondContact O-CA 3.19Å; A172-G185 PolarHBondContact O-N 3.45Å; A172-R213 WeakPolarHBondContact CB-O 3.39Å; A172-V215 HydrophobicContact CB-CB 4.13Å; A172-V215 HydrophobicContact CB-CG2 4.26Å
173	L	97	Very high	95.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	176.8	-70.2	169.8	0	0	0	108.5	A131 I133 V142 V170 F182 A183 T184	A131-L173 HydrophobicContact CB-CB 4.16Å; A131-L173 HydrophobicContact CB-CD1 3.9Å; A131-L173 HydrophobicContact CB-CG 3.85Å; I133-L173 HydrophobicContact CB-CB 4.49Å; I133-L173 HydrophobicContact CG2-CB 3.61Å; I133-L173 HydrophobicContact CG2-CD1 4.27Å; V142-L173 HydrophobicContact CG1-CD1 3.99Å; V142-L173 HydrophobicContact CG1-CD2 4.38Å; V170-L173 HydrophobicContact CG1-CD2 4.3Å; L173-F182 HydrophobicContact CD2-CD2 4.36Å; L173-A183 WeakPolarHBondContact CA-O 3.5Å; L173-T184 HydrophobicContact CD2-CG2 3.43Å; L173-T184 VanDerWaalsContact CD2-CG2 3.43Å
174	S	96.8	Very high	95.5	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.8	169.6	-177.2	0	0	0	0	111.5	F182 A183 V215 D216 W217	S174-F182 CarbonylContact O-C 3.57Å; S174-F182 VanDerWaalsContact O-CA 3.25Å; S174-F182 WeakPolarHBondContact O-CA 3.49Å; S174-F182 WeakPolarHBondContact O-CB 3.49Å; S174-A183 PolarHBondContact N-O 3.48Å; S174-A183 VanDerWaalsContact N-O 3.12Å; S174-A183 PolarHBondContact O-N 3.41Å; S174-V215 WeakPolarHBondContact CB-O 3.35Å; S174-D216 PolarHBondContact OG-OD1 2.97Å; S174-W217 WeakPolarHBondContact OG-CB 3.17Å; S174-W217 PolarHBondContact OG-N 2.87Å
175	F	96	Very high	95.5	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.1	-177.9	-90.1	-76.9	0	0	0	111.8	I133 W134 V142 F182 F196 W217	I133-F175 HydrophobicContact CD1-CD2 4.18Å; I133-F175 HydrophobicContact CG1-CD2 4.13Å; I133-F175 HydrophobicContact CG2-CD2 3.78Å; I133-F175 HydrophobicContact CG2-CE2 3.76Å; W134-F175 WeakPolarHBondContact O-CD2 3.47Å; V142-F175 HydrophobicContact CB-CE2 4.16Å; V142-F175 HydrophobicContact CB-CZ 4.09Å; V142-F175 HydrophobicContact CG2-CE1 4.44Å; V142-F175 HydrophobicContact CG2-CE2 4.03Å; V142-F175 HydrophobicContact CG2-CZ 3.47Å; V142-F175 VanDerWaalsContact CG2-CZ 3.47Å; F175-F182 HydrophobicContact CD1-CB 3.86Å; F175-F182 HydrophobicContact CE1-CB 4.13Å; F175-F182 HydrophobicContact CG-CB 4.33Å; F175-F196 AromaticContact CE1-CD2 3.7Å; F175-F196 HydrophobicContact CE1-CD2 3.7Å; F175-F196 AromaticContact CE1-CE2 3.85Å; F175-F196 HydrophobicContact CE1-CE2 3.85Å; F175-F196 HydrophobicContact CZ-CD2 4.25Å; F175-F196 AromaticContact CZ-CE2 3.99Å; F175-F196 HydrophobicContact CZ-CE2 3.99Å; F175-W217 VanDerWaalsContact O-CB 3.3Å; F175-W217 WeakPolarHBondContact O-CB 3.01Å
176	A	95.5	Very high	95.5	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.033	17%	0.173	C	C	.	.			trans	-64.6	149	164.3	0	0	0	0	0	110	N136 S178 D179 K181 W217	N136-A176 PolarHBondContact ND2-O 3.13Å; A176-S178 PolarHBondContact O-N 3.33Å; A176-D179 PolarHBondContact O-N 3.12Å; A176-K181 HydrophobicContact CB-CB 4.06Å; A176-K181 VanDerWaalsContact CB-O 3.23Å; A176-K181 WeakPolarHBondContact CB-O 3.31Å; A176-K181 PolarHBondContact N-O 3.13Å; A176-W217 HydrophobicContact CB-CD2 3.92Å; A176-W217 HydrophobicContact CB-CE3 4.31Å; A176-W217 HydrophobicContact CB-CG 4.42Å; A176-W217 HydrophobicContact CB-CH2 4.23Å; A176-W217 HydrophobicContact CB-CZ2 3.8Å; A176-W217 HydrophobicContact CB-CZ3 4.46Å
177	P	93.6	Very high	95.6	Very high	56 Å²	56	36.6 Å²	36.6	36%	0.364	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.5	-178.8	24.4	-35.6	0	0	0	114.4	P219	P177-P219 VanDerWaalsContact CB-O 3.3Å; P177-P219 WeakPolarHBondContact CB-O 3.06Å
178	S	93	Very high	95.6	Very high	71 Å²	71	27.5 Å²	27.5	50%	0.497	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.6	174.2	60.6	0	0	0	0	114.2	A176 L180	A176-S178 PolarHBondContact O-N 3.33Å; S178-L180 PolarHBondContact O-N 3.43Å
179	D	93.6	Very high	95.5	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.091	14%	0.138	C	C	.	.	S	Bend	trans	57.5	3.2	-171.3	-59.7	-31.2	0	0	0	115.8	N136 N137 A176 K181	N136-D179 VanDerWaalsContact CB-OD1 3.28Å; N136-D179 WeakPolarHBondContact CB-OD1 2.81Å; N136-D179 PolarHBondContact N-OD1 3.27Å; N136-D179 PolarHBondContact N-OD2 2.95Å; N136-D179 PolarHBondContact ND2-OD1 3.13Å; N137-D179 VanDerWaalsContact CB-OD2 3.26Å; N137-D179 WeakPolarHBondContact CB-OD2 3.5Å; N137-D179 VanDerWaalsContact CG-OD2 3.25Å; N137-D179 PolarHBondContact N-OD2 2.94Å; N137-D179 PolarHBondContact ND2-OD2 2.75Å; A176-D179 PolarHBondContact O-N 3.12Å; D179-K181 VanDerWaalsContact C-N 3.33Å
180	L	94.9	Very high	95.5	Very high	113 Å²	113	24.9 Å²	24.9	59%	0.592	14%	0.139	S	C	*	.	S	Bend	trans	-77.4	-23.1	179.5	-64	177	0	0	0	112.6	S178 F196	S178-L180 PolarHBondContact O-N 3.43Å; L180-F196 VanDerWaalsContact O-CB 3.23Å; L180-F196 WeakPolarHBondContact O-CB 3.32Å; L180-F196 PolarHBondContact O-N 2.86Å
181	K	95.6	Very high	95.4	Very high	60 Å²	60	24.9 Å²	24.9	26%	0.261	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.6	-177.2	-59.4	-175.6	-176.4	-168	0	109.7	A176 D179 I193 W194 E202 W217	A176-K181 HydrophobicContact CB-CB 4.06Å; A176-K181 VanDerWaalsContact CB-O 3.23Å; A176-K181 WeakPolarHBondContact CB-O 3.31Å; A176-K181 PolarHBondContact N-O 3.13Å; D179-K181 VanDerWaalsContact C-N 3.33Å; K181-I193 HydrophobicContact CB-CG2 4.43Å; K181-I193 HydrophobicContact CD-CG2 4.28Å; K181-W194 VanDerWaalsContact CA-O 3.23Å; K181-W194 WeakPolarHBondContact CA-O 3.49Å; K181-W194 WeakPolarHBondContact CB-O 3.37Å; K181-E202 VanDerWaalsContact CD-OE2 3.28Å; K181-E202 WeakPolarHBondContact CD-OE2 3.42Å; K181-E202 WeakPolarHBondContact CE-OE2 3.44Å; K181-E202 IonicContact NZ-OE1 2.71Å; K181-E202 PolarHBondContact NZ-OE1 2.59Å; K181-E202 IonicContact NZ-OE2 3.81Å; K181-E202 PolarHBondContact NZ-OE2 3.12Å; K181-W217 HydrophobicContact CB-CH2 4.22Å
182	F	96.5	Very high	95.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.7	169.8	64.9	-80.4	0	0	0	109.2	V150 Y152 F163 L173 S174 F175 T184 W194 F196	V150-F182 HydrophobicContact CG1-CE2 4.33Å; Y152-F182 WeakPolarHBondContact OH-CE1 3.47Å; Y152-F182 WeakPolarHBondContact OH-CZ 3.17Å; F163-F182 HydrophobicContact CE1-CZ 4.05Å; F163-F182 HydrophobicContact CZ-CE2 4.14Å; F163-F182 AromaticContact CZ-CZ 3.71Å; F163-F182 HydrophobicContact CZ-CZ 3.71Å; L173-F182 HydrophobicContact CD2-CD2 4.36Å; S174-F182 CarbonylContact O-C 3.57Å; S174-F182 VanDerWaalsContact O-CA 3.25Å; S174-F182 WeakPolarHBondContact O-CA 3.49Å; S174-F182 WeakPolarHBondContact O-CB 3.49Å; F175-F182 HydrophobicContact CD1-CB 3.86Å; F175-F182 HydrophobicContact CE1-CB 4.13Å; F175-F182 HydrophobicContact CG-CB 4.33Å; F182-T184 HydrophobicContact CD2-CG2 4.17Å; F182-T184 HydrophobicContact CE2-CG2 3.86Å; F182-W194 HydrophobicContact CD1-CB 3.98Å; F182-W194 HydrophobicContact CD2-CB 4.25Å; F182-W194 HydrophobicContact CD2-CG 4.48Å; F182-W194 HydrophobicContact CE1-CB 3.4Å; F182-W194 HydrophobicContact CE1-CG 4.27Å; F182-W194 HydrophobicContact CE2-CB 3.74Å; F182-W194 AromaticContact CE2-CD1 3.61Å; F182-W194 AromaticContact CE2-CG 3.77Å; F182-W194 HydrophobicContact CE2-CG 3.77Å; F182-W194 HydrophobicContact CG-CB 4.36Å; F182-W194 HydrophobicContact CZ-CB 3.27Å; F182-W194 AromaticContact CZ-CD1 3.99Å; F182-W194 AromaticContact CZ-CG 3.65Å; F182-W194 HydrophobicContact CZ-CG 3.65Å; F182-W194 PolarHBondContact N-O 2.78Å; F182-W194 VanDerWaalsContact N-O 3.16Å; F182-W194 PolarHBondContact O-N 2.82Å; F182-F196 HydrophobicContact CD1-CB 4.4Å; F182-F196 HydrophobicContact CD1-CD2 4.19Å; F182-F196 HydrophobicContact CE1-CD2 4.41Å
183	A	97	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.5	177	0	0	0	0	0	111.5	L173 S174 R192 V215 W217 L224	L173-A183 WeakPolarHBondContact CA-O 3.5Å; S174-A183 PolarHBondContact N-O 3.48Å; S174-A183 VanDerWaalsContact N-O 3.12Å; S174-A183 PolarHBondContact O-N 3.41Å; A183-R192 CarbonylContact C-O 3.58Å; A183-R192 VanDerWaalsContact CA-O 3.25Å; A183-R192 WeakPolarHBondContact CA-O 3.41Å; A183-V215 HydrophobicContact CB-CG1 3.76Å; A183-W217 HydrophobicContact CB-CE3 3.92Å; A183-W217 HydrophobicContact CB-CZ3 3.92Å; A183-L224 HydrophobicContact CB-CD1 3.34Å; A183-L224 HydrophobicContact CB-CG 4.48Å
184	T	97.3	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.6	175	55.4	0	0	0	0	109.5	V150 A165 H166 V170 A172 L173 F182 S191 R192 W194	V150-T184 HydrophobicContact CG2-CG2 4.11Å; A165-T184 HydrophobicContact CB-CG2 4.37Å; H166-T184 PolarHBondContact CD2-OG1 3.05Å; H166-T184 WeakPolarHBondContact NE2-CB 3.2Å; H166-T184 PolarHBondContact NE2-OG1 3.45Å; V170-T184 HydrophobicContact CG1-CG2 4.25Å; A172-T184 WeakPolarHBondContact O-CA 3.19Å; L173-T184 HydrophobicContact CD2-CG2 3.43Å; L173-T184 VanDerWaalsContact CD2-CG2 3.43Å; F182-T184 HydrophobicContact CD2-CG2 4.17Å; F182-T184 HydrophobicContact CE2-CG2 3.86Å; T184-S191 CarbonylContact O-C 3.58Å; T184-S191 WeakPolarHBondContact O-CA 3.39Å; T184-R192 PolarHBondContact N-O 3.02Å; T184-R192 PolarHBondContact O-N 2.83Å; T184-R192 PolarHBondContact OG1-O 2.94Å; T184-W194 PolarHBondContact OG1-NE1 2.74Å
185	G	95.9	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124	170.2	0	0	0	0	0	111.1	V170 R171 A172 V215	V170-G185 CarbonylContact C-O 3.56Å; V170-G185 WeakPolarHBondContact CA-O 3.31Å; R171-G185 PolarHBondContact N-O 2.71Å; A172-G185 PolarHBondContact O-N 3.45Å; G185-V215 VanDerWaalsContact CA-CG2 3.48Å
186	G	95.1	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	156.9	-178	0	0	0	0	0	114.1	A169 D188 T190 V212	A169-G186 CarbonylContact O-C 3.52Å; A169-G186 WeakPolarHBondContact O-CA 3.05Å; G186-D188 PolarHBondContact O-N 3.14Å; G186-T190 PolarHBondContact N-O 3.36Å; G186-V212 PolarHBondContact O-N 2.92Å
187	D	95.8	Very high	95.3	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.128	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.1	165.2	-76.2	-4.4	0	0	0	111.4	E168 A169 R171 S189 D211	E168-D187 HydrophobicContact CB-CB 4.04Å; A169-D187 HydrophobicContact CB-CB 4.48Å; A169-D187 WeakPolarHBondContact CB-OD2 3.36Å; A169-D187 PolarHBondContact O-N 3.08Å; R171-D187 WeakPolarHBondContact CG-OD1 3.47Å; R171-D187 IonicContact CZ-OD1 3.54Å; R171-D187 IonicContact CZ-OD2 2.94Å; R171-D187 VanDerWaalsContact CZ-OD2 3.3Å; R171-D187 IonicContact NE-OD1 2.82Å; R171-D187 PolarHBondContact NE-OD1 3.43Å; R171-D187 IonicContact NE-OD2 3.67Å; R171-D187 PolarHBondContact NE-OD2 2.65Å; R171-D187 VanDerWaalsContact NE-OD2 3.12Å; R171-D187 IonicContact NH2-OD1 3.83Å; R171-D187 IonicContact NH2-OD2 3.96Å; R171-D187 PolarHBondContact NH2-OD2 3.2Å; D187-S189 PolarHBondContact O-N 3.01Å; D187-D211 HydrophobicContact CB-CB 4.47Å
188	D	94.2	Very high	95.4	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.16	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	17.5	177.2	73.1	-6.1	0	0	0	114.6	H166 E168 G186 T190 R192	H166-D188 IonicContact CE1-OD1 2.76Å; H166-D188 PolarHBondContact CE1-OD1 3Å; H166-D188 IonicContact CE1-OD2 2.72Å; H166-D188 IonicContact CG-OD2 2.72Å; H166-D188 IonicContact ND1-OD1 3.68Å; H166-D188 PolarHBondContact ND1-OD1 3.44Å; H166-D188 IonicContact ND1-OD2 2.72Å; H166-D188 PolarHBondContact ND1-OD2 3.48Å; E168-D188 HydrophobicContact CB-CB 4.28Å; E168-D188 HydrophobicContact CG-CB 4.22Å; E168-D188 WeakPolarHBondContact OE2-CA 3.39Å; E168-D188 PolarHBondContact OE2-N 3.42Å; E168-D188 VanDerWaalsContact OE2-N 3.15Å; G186-D188 PolarHBondContact O-N 3.14Å; D188-T190 PolarHBondContact O-N 3.25Å; D188-T190 VanDerWaalsContact O-N 3.13Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 VanDerWaalsContact OD1-N 3.13Å; D188-T190 PolarHBondContact OD1-OG1 3.08Å; D188-T190 PolarHBondContact OD2-OG1 3.47Å; D188-R192 IonicContact OD2-CZ 2.79Å; D188-R192 IonicContact OD2-NE 3.41Å; D188-R192 IonicContact OD2-NH2 2.66Å; D188-R192 PolarHBondContact OD2-NH2 3.27Å
189	S	94.1	Very high	95.4	Very high	40 Å²	40	35 Å²	35	28%	0.28	18%	0.175	S	C	.	.	S	Bend	trans	59.5	11.3	-175.4	70.1	0	0	0	0	115.5	D187 S210	D187-S189 PolarHBondContact O-N 3.01Å; S189-S210 WeakPolarHBondContact CA-O 3.44Å; S189-S210 WeakPolarHBondContact CB-O 3.39Å
190	T	95.2	Very high	95.4	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.025	19%	0.193	C	C	.	.			trans	-113.3	150.3	179.2	71.7	0	0	0	0	112.2	H166 G186 D188 R192 V204 R206	H166-T190 PolarHBondContact CE1-O 3.39Å; H166-T190 PolarHBondContact CE1-OG1 2.98Å; G186-T190 PolarHBondContact N-O 3.36Å; D188-T190 PolarHBondContact O-N 3.25Å; D188-T190 VanDerWaalsContact O-N 3.13Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 VanDerWaalsContact OD1-N 3.13Å; D188-T190 PolarHBondContact OD1-OG1 3.08Å; D188-T190 PolarHBondContact OD2-OG1 3.47Å; T190-R192 PolarHBondContact OG1-NE 2.76Å; T190-V204 HydrophobicContact CG2-CG1 4.04Å; T190-R206 HydrophobicContact CG2-CG 4.41Å
191	S	95.8	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.6	160.9	-55.1	0	0	0	0	108.8	T184 L205 V212 T226	T184-S191 CarbonylContact O-C 3.58Å; T184-S191 WeakPolarHBondContact O-CA 3.39Å; S191-L205 PolarHBondContact N-O 3.08Å; S191-L205 WeakPolarHBondContact O-CA 3.29Å; S191-L205 VanDerWaalsContact O-CB 3.27Å; S191-L205 WeakPolarHBondContact O-CB 3.48Å; S191-L205 PolarHBondContact O-N 3.24Å; S191-V212 WeakPolarHBondContact OG-CG1 3.5Å; S191-T226 VanDerWaalsContact OG-CG2 3.26Å; S191-T226 WeakPolarHBondContact OG-CG2 3.49Å
192	R	96.4	Very high	95.4	Very high	37 Å²	37	36.2 Å²	36.2	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.8	-176.5	-60.9	-179.8	-169.7	-170.4	14	109.8	A165 A183 T184 D188 T190 W194 E201 R203 V204	A165-R192 VanDerWaalsContact O-CZ 3.24Å; A165-R192 PolarHBondContact O-NH1 2.86Å; A183-R192 CarbonylContact C-O 3.58Å; A183-R192 VanDerWaalsContact CA-O 3.25Å; A183-R192 WeakPolarHBondContact CA-O 3.41Å; T184-R192 PolarHBondContact N-O 3.02Å; T184-R192 PolarHBondContact O-N 2.83Å; T184-R192 PolarHBondContact OG1-O 2.94Å; D188-R192 IonicContact OD2-CZ 2.79Å; D188-R192 IonicContact OD2-NE 3.41Å; D188-R192 IonicContact OD2-NH2 2.66Å; D188-R192 PolarHBondContact OD2-NH2 3.27Å; T190-R192 PolarHBondContact OG1-NE 2.76Å; R192-W194 HydrophobicContact CB-CZ2 4.09Å; R192-E201 WeakPolarHBondContact CD-OE2 3.48Å; R192-E201 IonicContact CZ-OE2 2.89Å; R192-E201 IonicContact NE-OE2 2.67Å; R192-E201 IonicContact NH1-OE2 3.61Å; R192-E201 PolarHBondContact NH1-OE2 3.35Å; R192-R203 WeakPolarHBondContact CA-O 3.49Å; R192-V204 HydrophobicContact CG-CG1 4.27Å; R192-V204 HydrophobicContact CG-CG2 4.32Å
193	I	97.1	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.1	175.6	-58.5	171.8	0	0	0	107.6	K181 E202 R203 L205 W217 L224 P240	K181-I193 HydrophobicContact CB-CG2 4.43Å; K181-I193 HydrophobicContact CD-CG2 4.28Å; I193-E202 PolarHBondContact O-N 3.47Å; I193-R203 HydrophobicContact CB-CB 4.16Å; I193-R203 HydrophobicContact CD1-CB 4.23Å; I193-R203 HydrophobicContact CG1-CB 4.48Å; I193-R203 PolarHBondContact N-O 3.3Å; I193-R203 PolarHBondContact O-N 3.45Å; I193-L205 HydrophobicContact CD1-CD1 4.23Å; I193-L205 HydrophobicContact CD1-CD2 4.28Å; I193-L205 HydrophobicContact CD1-CG 4.4Å; I193-L205 HydrophobicContact CG1-CD1 4.37Å; I193-W217 HydrophobicContact CD1-CH2 4.37Å; I193-W217 HydrophobicContact CG1-CZ3 4.39Å; I193-W217 HydrophobicContact CG2-CH2 3.94Å; I193-W217 HydrophobicContact CG2-CZ3 4.12Å; I193-L224 HydrophobicContact CD1-CD1 4.5Å; I193-L224 HydrophobicContact CG1-CD1 4.35Å; I193-P240 HydrophobicContact CD1-CB 3.51Å
194	W	96.6	Very high	95.2	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.038	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.5	-174.9	-60.7	91	0	0	0	110.2	F163 A165 K181 F182 T184 R192 E201	F163-W194 HydrophobicContact CD2-CE3 4.12Å; F163-W194 HydrophobicContact CD2-CH2 4.09Å; F163-W194 AromaticContact CD2-CZ3 3.77Å; F163-W194 HydrophobicContact CD2-CZ3 3.77Å; F163-W194 AromaticContact CE2-CD2 3.61Å; F163-W194 HydrophobicContact CE2-CD2 3.61Å; F163-W194 AromaticContact CE2-CE2 3.79Å; F163-W194 AromaticContact CE2-CE3 3.39Å; F163-W194 HydrophobicContact CE2-CE3 3.39Å; F163-W194 HydrophobicContact CE2-CG 4.44Å; F163-W194 AromaticContact CE2-CH2 3.65Å; F163-W194 HydrophobicContact CE2-CH2 3.65Å; F163-W194 AromaticContact CE2-CZ2 3.84Å; F163-W194 HydrophobicContact CE2-CZ2 3.84Å; F163-W194 AromaticContact CE2-CZ3 3.39Å; F163-W194 HydrophobicContact CE2-CZ3 3.39Å; F163-W194 AromaticContact CZ-CD2 3.93Å; F163-W194 HydrophobicContact CZ-CD2 3.93Å; F163-W194 AromaticContact CZ-CE3 3.99Å; F163-W194 HydrophobicContact CZ-CE3 3.99Å; F163-W194 HydrophobicContact CZ-CG 4.31Å; F163-W194 HydrophobicContact CZ-CZ3 4.41Å; A165-W194 VanDerWaalsContact CA-CZ2 3.43Å; A165-W194 HydrophobicContact CB-CH2 4.28Å; A165-W194 HydrophobicContact CB-CZ2 3.62Å; A165-W194 WeakPolarHBondContact O-CZ2 3.49Å; K181-W194 VanDerWaalsContact CA-O 3.23Å; K181-W194 WeakPolarHBondContact CA-O 3.49Å; K181-W194 WeakPolarHBondContact CB-O 3.37Å; F182-W194 HydrophobicContact CD1-CB 3.98Å; F182-W194 HydrophobicContact CD2-CB 4.25Å; F182-W194 HydrophobicContact CD2-CG 4.48Å; F182-W194 HydrophobicContact CE1-CB 3.4Å; F182-W194 HydrophobicContact CE1-CG 4.27Å; F182-W194 HydrophobicContact CE2-CB 3.74Å; F182-W194 AromaticContact CE2-CD1 3.61Å; F182-W194 AromaticContact CE2-CG 3.77Å; F182-W194 HydrophobicContact CE2-CG 3.77Å; F182-W194 HydrophobicContact CG-CB 4.36Å; F182-W194 HydrophobicContact CZ-CB 3.27Å; F182-W194 AromaticContact CZ-CD1 3.99Å; F182-W194 AromaticContact CZ-CG 3.65Å; F182-W194 HydrophobicContact CZ-CG 3.65Å; F182-W194 PolarHBondContact N-O 2.78Å; F182-W194 VanDerWaalsContact N-O 3.16Å; F182-W194 PolarHBondContact O-N 2.82Å; T184-W194 PolarHBondContact OG1-NE1 2.74Å; R192-W194 HydrophobicContact CB-CZ2 4.09Å; W194-E201 HydrophobicContact CE3-CB 4Å; W194-E201 HydrophobicContact CH2-CB 3.72Å; W194-E201 HydrophobicContact CH2-CG 4.06Å; W194-E201 HydrophobicContact CZ2-CB 4.36Å; W194-E201 HydrophobicContact CZ2-CG 4.26Å; W194-E201 HydrophobicContact CZ3-CB 3.53Å; W194-E201 HydrophobicContact CZ3-CG 4.3Å
195	D	96.1	Very high	95.1	Very high	44 Å²	44	41.9 Å²	41.9	24%	0.235	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.6	165.4	176.2	19.3	0	0	0	109.4	K197 T198 L199 T200	D195-K197 VanDerWaalsContact C-N 3.33Å; D195-K197 PolarHBondContact O-N 2.81Å; D195-K197 PolarHBondContact OD1-N 3.48Å; D195-T198 WeakPolarHBondContact CB-OG1 3.45Å; D195-T198 WeakPolarHBondContact OD2-CB 3.49Å; D195-T198 VanDerWaalsContact OD2-CG2 3.23Å; D195-T198 WeakPolarHBondContact OD2-CG2 3.29Å; D195-T198 PolarHBondContact OD2-OG1 2.91Å; D195-L199 PolarHBondContact O-N 3.34Å; D195-T200 PolarHBondContact N-O 3.3Å; D195-T200 VanDerWaalsContact N-O 3.1Å
196	F	95.1	Very high	95	Very high	33 Å²	33	50.1 Å²	50.1	15%	0.145	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.9	-172.7	-178.1	-92.9	0	0	0	112.6	W140 V142 Y152 F175 L180 F182	W140-F196 HydrophobicContact CB-CE2 4.19Å; W140-F196 HydrophobicContact CB-CZ 3.75Å; W140-F196 AromaticContact CD1-CE1 3.92Å; W140-F196 AromaticContact CD1-CZ 3.61Å; W140-F196 HydrophobicContact CD2-CE1 4.27Å; W140-F196 AromaticContact CD2-CZ 3.69Å; W140-F196 HydrophobicContact CD2-CZ 3.69Å; W140-F196 HydrophobicContact CE3-CZ 4.31Å; W140-F196 HydrophobicContact CG-CE1 4.12Å; W140-F196 HydrophobicContact CG-CE2 4.3Å; W140-F196 AromaticContact CG-CZ 3.39Å; W140-F196 HydrophobicContact CG-CZ 3.39Å; W140-F196 AromaticContact NE1-CE1 3.95Å; W140-F196 AromaticContact NE1-CZ 4Å; V142-F196 HydrophobicContact CG2-CE2 4.13Å; Y152-F196 HydrophobicContact CD1-CD2 4.33Å; Y152-F196 AromaticContact CD1-CE2 3.61Å; Y152-F196 HydrophobicContact CD1-CE2 3.61Å; Y152-F196 AromaticContact CD1-CZ 3.81Å; Y152-F196 HydrophobicContact CD1-CZ 3.81Å; Y152-F196 AromaticContact CE1-CD2 3.54Å; Y152-F196 HydrophobicContact CE1-CD2 3.54Å; Y152-F196 AromaticContact CE1-CE2 3.29Å; Y152-F196 HydrophobicContact CE1-CE2 3.29Å; Y152-F196 HydrophobicContact CE1-CG 4.27Å; Y152-F196 AromaticContact CE1-CZ 3.81Å; Y152-F196 HydrophobicContact CE1-CZ 3.81Å; F175-F196 AromaticContact CE1-CD2 3.7Å; F175-F196 HydrophobicContact CE1-CD2 3.7Å; F175-F196 AromaticContact CE1-CE2 3.85Å; F175-F196 HydrophobicContact CE1-CE2 3.85Å; F175-F196 HydrophobicContact CZ-CD2 4.25Å; F175-F196 AromaticContact CZ-CE2 3.99Å; F175-F196 HydrophobicContact CZ-CE2 3.99Å; L180-F196 VanDerWaalsContact O-CB 3.23Å; L180-F196 WeakPolarHBondContact O-CB 3.32Å; L180-F196 PolarHBondContact O-N 2.86Å; F182-F196 HydrophobicContact CD1-CB 4.4Å; F182-F196 HydrophobicContact CD1-CD2 4.19Å; F182-F196 HydrophobicContact CE1-CD2 4.41Å
197	K	93.3	Very high	94.8	Very high	189 Å²	189	52 Å²	52	82%	0.822	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-38.3	-173.6	-175.2	176.7	179.2	-179.9	0	112.9	D195	D195-K197 VanDerWaalsContact C-N 3.33Å; D195-K197 PolarHBondContact O-N 2.81Å; D195-K197 PolarHBondContact OD1-N 3.48Å
198	T	93.9	Very high	94.6	Very high	74 Å²	74	51.4 Å²	51.4	45%	0.454	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.5	-172.9	57.8	0	0	0	0	112.9	D195 T200	D195-T198 WeakPolarHBondContact CB-OG1 3.45Å; D195-T198 WeakPolarHBondContact OD2-CB 3.49Å; D195-T198 VanDerWaalsContact OD2-CG2 3.23Å; D195-T198 WeakPolarHBondContact OD2-CG2 3.29Å; D195-T198 PolarHBondContact OD2-OG1 2.91Å; T198-T200 PolarHBondContact O-N 2.98Å; T198-T200 PolarHBondContact OG1-OG1 2.77Å
199	L	93.2	Very high	94.4	Very high	58 Å²	58	52.7 Å²	52.7	30%	0.304	28%	0.275	S	S	.	.			trans	59.8	24.5	-175.1	-48.9	179	0	0	0	112.7	Y152 A161 F163 D195	Y152-L199 HydrophobicContact CD2-CD2 4.1Å; Y152-L199 HydrophobicContact CE1-CD2 3.92Å; Y152-L199 HydrophobicContact CE2-CD2 3.25Å; Y152-L199 WeakPolarHBondContact OH-CD2 3.23Å; A161-L199 HydrophobicContact CB-CD1 3.87Å; F163-L199 HydrophobicContact CD1-CD2 4.47Å; D195-L199 PolarHBondContact O-N 3.34Å
200	T	94.8	Very high	94.4	Very high	75 Å²	75	52.3 Å²	52.3	46%	0.46	27%	0.272	S	S	.	.			trans	-98.3	142.3	-179.6	62.8	0	0	0	0	111.8	D195 T198 E202	D195-T200 PolarHBondContact N-O 3.3Å; D195-T200 VanDerWaalsContact N-O 3.1Å; T198-T200 PolarHBondContact O-N 2.98Å; T198-T200 PolarHBondContact OG1-OG1 2.77Å; T200-E202 PolarHBondContact O-N 2.79Å
201	E	95.1	Very high	94.4	Very high	83 Å²	83	53.9 Å²	53.9	39%	0.388	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	115.2	169.4	-168.6	-179.7	118.6	0	0	108.7	R192 W194 V204	R192-E201 WeakPolarHBondContact CD-OE2 3.48Å; R192-E201 IonicContact CZ-OE2 2.89Å; R192-E201 IonicContact NE-OE2 2.67Å; R192-E201 IonicContact NH1-OE2 3.61Å; R192-E201 PolarHBondContact NH1-OE2 3.35Å; W194-E201 HydrophobicContact CE3-CB 4Å; W194-E201 HydrophobicContact CH2-CB 3.72Å; W194-E201 HydrophobicContact CH2-CG 4.06Å; W194-E201 HydrophobicContact CZ2-CB 4.36Å; W194-E201 HydrophobicContact CZ2-CG 4.26Å; W194-E201 HydrophobicContact CZ3-CB 3.53Å; W194-E201 HydrophobicContact CZ3-CG 4.3Å; E201-V204 HydrophobicContact CG-CG2 4.3Å; E201-V204 WeakPolarHBondContact OE1-CG2 3.27Å
202	E	94.4	Very high	94.4	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-43.5	179.5	-165.9	-172.3	166.2	0	0	111	K181 I193 T200	K181-E202 VanDerWaalsContact CD-OE2 3.28Å; K181-E202 WeakPolarHBondContact CD-OE2 3.42Å; K181-E202 WeakPolarHBondContact CE-OE2 3.44Å; K181-E202 IonicContact NZ-OE1 2.71Å; K181-E202 PolarHBondContact NZ-OE1 2.59Å; K181-E202 IonicContact NZ-OE2 3.81Å; K181-E202 PolarHBondContact NZ-OE2 3.12Å; I193-E202 PolarHBondContact O-N 3.47Å; T200-E202 PolarHBondContact O-N 2.79Å
203	R	94.7	Very high	94.3	Very high	98 Å²	98	54.9 Å²	54.9	37%	0.37	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.7	-168.6	-58.9	-61.7	169.9	-133.4	14.6	112	R192 I193 E243	R192-R203 WeakPolarHBondContact CA-O 3.49Å; I193-R203 HydrophobicContact CB-CB 4.16Å; I193-R203 HydrophobicContact CD1-CB 4.23Å; I193-R203 HydrophobicContact CG1-CB 4.48Å; I193-R203 PolarHBondContact N-O 3.3Å; I193-R203 PolarHBondContact O-N 3.45Å; R203-E243 WeakPolarHBondContact CA-OE1 3.47Å; R203-E243 HydrophobicContact CB-CG 3.87Å; R203-E243 WeakPolarHBondContact CB-OE1 3.49Å; R203-E243 VanDerWaalsContact CD-CG 3.46Å; R203-E243 WeakPolarHBondContact CD-OE1 3.42Å; R203-E243 HydrophobicContact CG-CG 3.9Å; R203-E243 WeakPolarHBondContact CG-OE1 3.32Å
204	V	95.3	Very high	94.3	Very high	23 Å²	23	55.3 Å²	55.3	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.6	173.9	-171.6	0	0	0	0	110	T190 R192 E201 R206 E243	T190-V204 HydrophobicContact CG2-CG1 4.04Å; R192-V204 HydrophobicContact CG-CG1 4.27Å; R192-V204 HydrophobicContact CG-CG2 4.32Å; E201-V204 HydrophobicContact CG-CG2 4.3Å; E201-V204 WeakPolarHBondContact OE1-CG2 3.27Å; V204-R206 HydrophobicContact CB-CG 4.5Å; V204-R206 HydrophobicContact CG1-CG 3.77Å; V204-R206 PolarHBondContact O-N 3.09Å; V204-R206 VanDerWaalsContact O-N 3.1Å; V204-E243 PolarHBondContact N-OE1 3.45Å
205	L	95.1	Very high	94.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	95.8	175.7	-51.2	177.8	0	0	0	108.8	S191 I193 L224 W238 E243	S191-L205 PolarHBondContact N-O 3.08Å; S191-L205 WeakPolarHBondContact O-CA 3.29Å; S191-L205 VanDerWaalsContact O-CB 3.27Å; S191-L205 WeakPolarHBondContact O-CB 3.48Å; S191-L205 PolarHBondContact O-N 3.24Å; I193-L205 HydrophobicContact CD1-CD1 4.23Å; I193-L205 HydrophobicContact CD1-CD2 4.28Å; I193-L205 HydrophobicContact CD1-CG 4.4Å; I193-L205 HydrophobicContact CG1-CD1 4.37Å; L205-L224 HydrophobicContact CD1-CD1 4.11Å; L205-L224 HydrophobicContact CD1-CD2 3.78Å; L205-W238 HydrophobicContact CB-CD2 4.08Å; L205-W238 HydrophobicContact CB-CE3 4.16Å; L205-W238 HydrophobicContact CB-CH2 4.47Å; L205-W238 HydrophobicContact CB-CZ2 4.37Å; L205-W238 HydrophobicContact CB-CZ3 4.34Å; L205-W238 HydrophobicContact CD1-CB 3.95Å; L205-W238 HydrophobicContact CD1-CD2 4.13Å; L205-W238 HydrophobicContact CD1-CG 3.78Å; L205-W238 HydrophobicContact CD2-CB 4.38Å; L205-W238 HydrophobicContact CD2-CD2 4.25Å; L205-W238 HydrophobicContact CD2-CE3 3.98Å; L205-W238 HydrophobicContact CD2-CG 4.44Å; L205-W238 HydrophobicContact CG-CD2 4.38Å; L205-W238 HydrophobicContact CG-CE3 4.49Å; L205-E243 HydrophobicContact CD2-CB 4.17Å
206	R	93.8	Very high	94.3	Very high	173 Å²	173	54.3 Å²	54.3	65%	0.653	28%	0.283	S	S	*	.			trans	-97.5	137.4	175.8	-62.1	-175	-178.3	-79.3	-5.5	110.1	T190 V204 W238	T190-R206 HydrophobicContact CG2-CG 4.41Å; V204-R206 HydrophobicContact CB-CG 4.5Å; V204-R206 HydrophobicContact CG1-CG 3.77Å; V204-R206 PolarHBondContact O-N 3.09Å; V204-R206 VanDerWaalsContact O-N 3.1Å; R206-W238 VanDerWaalsContact O-CH2 3.31Å; R206-W238 WeakPolarHBondContact O-CH2 3.34Å
207	G	89.8	Confident	94.4	Very high	39 Å²	39	53.5 Å²	53.5	40%	0.402	28%	0.279	S	S	.	.			trans	159.5	-18.8	167.3	0	0	0	0	0	113.8	Q233 K236	G207-Q233 PolarHBondContact O-OE1 2.88Å; G207-K236 PolarHBondContact O-NZ 2.95Å
208	H	92.3	Very high	94.6	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	24%	0.24	C	C	.	.			trans	-68.7	145.8	174.1	-75.1	-61	0	0	0	111.5	V212 T226 S228 Q233	H208-V212 HydrophobicContact CB-CG2 4.25Å; H208-V212 VanDerWaalsContact CD2-CG2 3.49Å; H208-V212 WeakPolarHBondContact CD2-CG2 3.35Å; H208-T226 WeakPolarHBondContact NE2-CB 3.25Å; H208-T226 PolarHBondContact NE2-OG1 2.86Å; H208-S228 WeakPolarHBondContact ND1-CB 3.26Å; H208-Q233 PolarHBondContact ND1-O 2.88Å
209	G	90.6	Very high	94.6	Very high	58 Å²	58	43.5 Å²	43.5	60%	0.598	24%	0.235	S	C	*	.	S	Bend	trans	-85.4	-10.6	177	0	0	0	0	0	114.5
210	S	93.9	Very high	94.5	Very high	31 Å²	31	44.8 Å²	44.8	22%	0.217	25%	0.249	C	C	.	.	S	Bend	trans	-153.4	175.4	-176.6	-173.9	0	0	0	0	110.8	S189 S228	S189-S210 WeakPolarHBondContact CA-O 3.44Å; S189-S210 WeakPolarHBondContact CB-O 3.39Å; S210-S228 PolarHBondContact O-OG 3.27Å; S210-S228 VanDerWaalsContact O-OG 3.08Å
211	D	94.6	Very high	94.3	Very high	37 Å²	37	45.6 Å²	45.6	20%	0.198	25%	0.246	C	C	.	.			trans	-33.4	128.6	174.8	-30.1	-7.8	0	0	0	112.5	D187 S228 R229	D187-D211 HydrophobicContact CB-CB 4.47Å; D211-S228 VanDerWaalsContact O-CA 3.32Å; D211-S228 WeakPolarHBondContact O-CA 3.39Å; D211-S228 PolarHBondContact O-OG 3.05Å; D211-R229 HydrophobicContact CB-CB 4.41Å; D211-R229 PolarHBondContact O-N 3.12Å; D211-R229 IonicContact OD2-NH1 2.99Å
212	V	95.9	Very high	94	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	111	172.2	-176	0	0	0	0	108.5	G186 S191 H208 V215 T226 G227	G186-V212 PolarHBondContact O-N 2.92Å; S191-V212 WeakPolarHBondContact OG-CG1 3.5Å; H208-V212 HydrophobicContact CB-CG2 4.25Å; H208-V212 VanDerWaalsContact CD2-CG2 3.49Å; H208-V212 WeakPolarHBondContact CD2-CG2 3.35Å; V212-V215 HydrophobicContact CG1-CG2 3.79Å; V212-T226 HydrophobicContact CG1-CG2 4.25Å; V212-G227 CarbonylContact C-O 3.59Å
213	R	95.3	Very high	94	Very high	59 Å²	59	41 Å²	41	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-31.8	-174.1	-71.8	-167.3	163.1	-137.7	-10.2	114.2	R171 A172 G227	R171-R213 WeakPolarHBondContact CB-O 3.49Å; A172-R213 WeakPolarHBondContact CB-O 3.39Å; R213-G227 PolarHBondContact N-O 2.92Å
214	A	95.5	Very high	94.1	Very high	9 Å²	9	36.4 Å²	36.4	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.4	-178.3	0	0	0	0	0	109.8	T226 G227 V259	A214-T226 CarbonylContact O-C 3.54Å; A214-T226 WeakPolarHBondContact O-CA 3.5Å; A214-G227 PolarHBondContact N-O 3.5Å; A214-G227 PolarHBondContact O-N 3.31Å; A214-V259 HydrophobicContact CB-CB 3.95Å; A214-V259 HydrophobicContact CB-CG2 4.01Å
215	V	96.7	Very high	94.2	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.7	175.1	179	0	0	0	0	106.8	A172 S174 A183 G185 V212 L224 V225 T226	A172-V215 HydrophobicContact CB-CB 4.13Å; A172-V215 HydrophobicContact CB-CG2 4.26Å; S174-V215 WeakPolarHBondContact CB-O 3.35Å; A183-V215 HydrophobicContact CB-CG1 3.76Å; G185-V215 VanDerWaalsContact CA-CG2 3.48Å; V212-V215 HydrophobicContact CG1-CG2 3.79Å; V215-L224 HydrophobicContact CG1-CD1 4.23Å; V215-L224 HydrophobicContact CG1-CD2 3.99Å; V215-L224 HydrophobicContact CG1-CG 4.09Å; V215-V225 WeakPolarHBondContact CA-O 3.42Å; V215-T226 HydrophobicContact CG2-CG2 4.18Å
216	D	97	Very high	94.2	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.1	173.3	-169.4	33	0	0	0	112.5	S174 L224 V225 F261	S174-D216 PolarHBondContact OG-OD1 2.97Å; D216-L224 CarbonylContact O-C 3.55Å; D216-L224 WeakPolarHBondContact O-CA 3.37Å; D216-V225 PolarHBondContact N-O 3.22Å; D216-V225 PolarHBondContact O-N 3.31Å; D216-F261 HydrophobicContact CB-CD2 4.32Å; D216-F261 VanDerWaalsContact OD2-CB 3.24Å; D216-F261 WeakPolarHBondContact OD2-CB 3.2Å; D216-F261 VanDerWaalsContact OD2-CD2 3.23Å; D216-F261 WeakPolarHBondContact OD2-CD2 3.25Å; D216-F261 PolarHBondContact OD2-N 3.05Å
217	W	96.7	Very high	94.3	Very high	16 Å²	16	27 Å²	27	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	-175.6	-156.7	-60.6	0	0	0	109.2	S174 F175 A176 K181 A183 I193 L224 P240	S174-W217 WeakPolarHBondContact OG-CB 3.17Å; S174-W217 PolarHBondContact OG-N 2.87Å; F175-W217 VanDerWaalsContact O-CB 3.3Å; F175-W217 WeakPolarHBondContact O-CB 3.01Å; A176-W217 HydrophobicContact CB-CD2 3.92Å; A176-W217 HydrophobicContact CB-CE3 4.31Å; A176-W217 HydrophobicContact CB-CG 4.42Å; A176-W217 HydrophobicContact CB-CH2 4.23Å; A176-W217 HydrophobicContact CB-CZ2 3.8Å; A176-W217 HydrophobicContact CB-CZ3 4.46Å; K181-W217 HydrophobicContact CB-CH2 4.22Å; A183-W217 HydrophobicContact CB-CE3 3.92Å; A183-W217 HydrophobicContact CB-CZ3 3.92Å; I193-W217 HydrophobicContact CD1-CH2 4.37Å; I193-W217 HydrophobicContact CG1-CZ3 4.39Å; I193-W217 HydrophobicContact CG2-CH2 3.94Å; I193-W217 HydrophobicContact CG2-CZ3 4.12Å; W217-L224 HydrophobicContact CD2-CD1 4.47Å; W217-L224 HydrophobicContact CE3-CD1 3.79Å; W217-L224 HydrophobicContact CZ3-CD1 3.88Å; W217-P240 HydrophobicContact CH2-CB 3.6Å; W217-P240 HydrophobicContact CH2-CG 4.2Å; W217-P240 HydrophobicContact CZ2-CB 3.56Å; W217-P240 HydrophobicContact CZ2-CG 3.62Å
218	H	96.8	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.			trans	-63	136.3	-178.3	-173.9	-62	0	0	0	111.3	S220 K221 L223 F261 G265	H218-S220 PolarHBondContact CE1-OG 2.78Å; H218-S220 VanDerWaalsContact CE1-OG 3.23Å; H218-S220 PolarHBondContact ND1-N 2.98Å; H218-S220 PolarHBondContact ND1-OG 2.95Å; H218-S220 PolarHBondContact O-N 3.34Å; H218-K221 VanDerWaalsContact CE1-CG 3.42Å; H218-K221 WeakPolarHBondContact CE1-CG 3.41Å; H218-K221 PolarHBondContact ND1-N 2.91Å; H218-K221 VanDerWaalsContact NE2-CD 3.3Å; H218-K221 WeakPolarHBondContact NE2-CD 3.36Å; H218-L223 HydrophobicContact CB-CB 3.85Å; H218-L223 WeakPolarHBondContact CB-O 3.19Å; H218-L223 PolarHBondContact N-O 3.09Å; H218-F261 VanDerWaalsContact CA-CD2 3.49Å; H218-F261 HydrophobicContact CB-CD2 4.03Å; H218-F261 HydrophobicContact CB-CE2 3.63Å; H218-F261 HydrophobicContact CB-CZ 3.94Å; H218-F261 AromaticContact CD2-CE1 3.95Å; H218-F261 AromaticContact CD2-CZ 3.96Å; H218-G265 WeakPolarHBondContact NE2-CA 3.02Å; H218-G265 PolarHBondContact NE2-O 2.79Å
219	P	93.9	Very high	94.7	Very high	53 Å²	53	29.8 Å²	29.8	34%	0.344	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-3.6	-173.6	23.5	-36.2	0	0	0	116.3	P177	P177-P219 VanDerWaalsContact CB-O 3.3Å; P177-P219 WeakPolarHBondContact CB-O 3.06Å
220	S	92.5	Very high	94.7	Very high	85 Å²	85	28.7 Å²	28.7	59%	0.594	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-160.3	-46.9	-173.1	62.1	0	0	0	0	114.4	H218 G222	H218-S220 PolarHBondContact CE1-OG 2.78Å; H218-S220 VanDerWaalsContact CE1-OG 3.23Å; H218-S220 PolarHBondContact ND1-N 2.98Å; H218-S220 PolarHBondContact ND1-OG 2.95Å; H218-S220 PolarHBondContact O-N 3.34Å; S220-G222 PolarHBondContact O-N 3.34Å; S220-G222 VanDerWaalsContact O-N 3.15Å
221	K	90.1	Very high	94.5	Very high	93 Å²	93	30 Å²	30	40%	0.404	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.6	-173.5	-64.7	176.4	-165.2	151.7	0	114.1	H218 L223 G265	H218-K221 VanDerWaalsContact CE1-CG 3.42Å; H218-K221 WeakPolarHBondContact CE1-CG 3.41Å; H218-K221 PolarHBondContact ND1-N 2.91Å; H218-K221 VanDerWaalsContact NE2-CD 3.3Å; H218-K221 WeakPolarHBondContact NE2-CD 3.36Å; K221-L223 HydrophobicContact CB-CD1 4.02Å; K221-L223 HydrophobicContact CB-CG 4.08Å; K221-L223 HydrophobicContact CD-CD1 4.29Å; K221-G265 PolarHBondContact NZ-O 2.86Å
222	G	89.6	Confident	94.3	Very high	13 Å²	13	34.7 Å²	34.7	13%	0.134	18%	0.182	C	C	.	.			trans	64.2	43.8	-176.3	0	0	0	0	0	112	S220 P240	S220-G222 PolarHBondContact O-N 3.34Å; S220-G222 VanDerWaalsContact O-N 3.15Å; G222-P240 WeakPolarHBondContact O-CD 3.47Å; G222-P240 WeakPolarHBondContact O-CG 3.47Å
223	L	94.6	Very high	93.7	Very high	31 Å²	31	37.4 Å²	37.4	16%	0.162	19%	0.194	C	C	.	.			trans	-107.4	152.9	173.4	-64.6	170	0	0	0	108.7	H218 K221 I246 I282	H218-L223 HydrophobicContact CB-CB 3.85Å; H218-L223 WeakPolarHBondContact CB-O 3.19Å; H218-L223 PolarHBondContact N-O 3.09Å; K221-L223 HydrophobicContact CB-CD1 4.02Å; K221-L223 HydrophobicContact CB-CG 4.08Å; K221-L223 HydrophobicContact CD-CD1 4.29Å; L223-I246 HydrophobicContact CD2-CD1 3.29Å; L223-I282 HydrophobicContact CD1-CG2 4.19Å
224	L	96.4	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133	175.6	-176.8	158.1	0	0	0	109.3	A183 I193 L205 V215 D216 W217 T226 L237 W238	A183-L224 HydrophobicContact CB-CD1 3.34Å; A183-L224 HydrophobicContact CB-CG 4.48Å; I193-L224 HydrophobicContact CD1-CD1 4.5Å; I193-L224 HydrophobicContact CG1-CD1 4.35Å; L205-L224 HydrophobicContact CD1-CD1 4.11Å; L205-L224 HydrophobicContact CD1-CD2 3.78Å; V215-L224 HydrophobicContact CG1-CD1 4.23Å; V215-L224 HydrophobicContact CG1-CD2 3.99Å; V215-L224 HydrophobicContact CG1-CG 4.09Å; D216-L224 CarbonylContact O-C 3.55Å; D216-L224 WeakPolarHBondContact O-CA 3.37Å; W217-L224 HydrophobicContact CD2-CD1 4.47Å; W217-L224 HydrophobicContact CE3-CD1 3.79Å; W217-L224 HydrophobicContact CZ3-CD1 3.88Å; L224-T226 HydrophobicContact CD2-CG2 3.4Å; L224-L237 CarbonylContact O-C 3.58Å; L224-L237 WeakPolarHBondContact O-CA 3.49Å; L224-W238 HydrophobicContact CB-CB 4.34Å; L224-W238 HydrophobicContact CD2-CB 4.34Å; L224-W238 HydrophobicContact CD2-CG 4.34Å; L224-W238 PolarHBondContact N-O 3.32Å; L224-W238 PolarHBondContact O-N 2.92Å
225	V	96.5	Very high	93.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.4	171.3	-161.3	0	0	0	0	109.4	V215 D216 V235 K236 L237 V259 F261 L268	V215-V225 WeakPolarHBondContact CA-O 3.42Å; D216-V225 PolarHBondContact N-O 3.22Å; D216-V225 PolarHBondContact O-N 3.31Å; V225-V235 HydrophobicContact CG1-CG1 3.36Å; V225-K236 CarbonylContact C-O 3.54Å; V225-K236 WeakPolarHBondContact CA-O 3.23Å; V225-L237 HydrophobicContact CB-CD2 3.95Å; V225-L237 HydrophobicContact CG1-CD2 3.87Å; V225-L237 HydrophobicContact CG2-CD2 3.22Å; V225-V259 HydrophobicContact CB-CG1 3.72Å; V225-V259 HydrophobicContact CG1-CG1 3.52Å; V225-V259 HydrophobicContact CG2-CG1 4.38Å; V225-F261 HydrophobicContact CB-CE2 4.34Å; V225-F261 HydrophobicContact CB-CZ 4.39Å; V225-F261 HydrophobicContact CG2-CD1 4.5Å; V225-F261 HydrophobicContact CG2-CD2 4.13Å; V225-F261 HydrophobicContact CG2-CE1 3.66Å; V225-F261 HydrophobicContact CG2-CE2 3.23Å; V225-F261 HydrophobicContact CG2-CZ 2.98Å; V225-L268 HydrophobicContact CB-CD1 4.29Å; V225-L268 HydrophobicContact CG1-CD1 4.28Å; V225-L268 HydrophobicContact CG1-CD2 4.09Å; V225-L268 HydrophobicContact CG2-CD1 3.64Å; V225-L268 HydrophobicContact CG2-CD2 4.17Å
226	T	96.7	Very high	93.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.7	174.3	49.9	0	0	0	0	109.1	S191 H208 V212 A214 V215 L224 V235 K236 W238	S191-T226 VanDerWaalsContact OG-CG2 3.26Å; S191-T226 WeakPolarHBondContact OG-CG2 3.49Å; H208-T226 WeakPolarHBondContact NE2-CB 3.25Å; H208-T226 PolarHBondContact NE2-OG1 2.86Å; V212-T226 HydrophobicContact CG1-CG2 4.25Å; A214-T226 CarbonylContact O-C 3.54Å; A214-T226 WeakPolarHBondContact O-CA 3.5Å; V215-T226 HydrophobicContact CG2-CG2 4.18Å; L224-T226 HydrophobicContact CD2-CG2 3.4Å; T226-V235 VanDerWaalsContact O-CA 3.3Å; T226-V235 WeakPolarHBondContact O-CA 3.32Å; T226-K236 PolarHBondContact N-O 2.66Å; T226-K236 PolarHBondContact O-N 3Å; T226-K236 PolarHBondContact OG1-O 2.82Å; T226-K236 VanDerWaalsContact OG1-O 3.05Å; T226-W238 PolarHBondContact OG1-NE1 2.88Å
227	G	95.5	Very high	93.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.4	172	0	0	0	0	0	110.7	V212 R213 A214 P234	V212-G227 CarbonylContact C-O 3.59Å; R213-G227 PolarHBondContact N-O 2.92Å; A214-G227 PolarHBondContact N-O 3.5Å; A214-G227 PolarHBondContact O-N 3.31Å; G227-P234 CarbonylContact C-O 3.59Å; G227-P234 WeakPolarHBondContact CA-O 3.34Å
228	S	95.4	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154.8	-179.8	-175.6	0	0	0	0	111.8	H208 S210 D211 D230 Q233 P234 G255 V256	H208-S228 WeakPolarHBondContact ND1-CB 3.26Å; S210-S228 PolarHBondContact O-OG 3.27Å; S210-S228 VanDerWaalsContact O-OG 3.08Å; D211-S228 VanDerWaalsContact O-CA 3.32Å; D211-S228 WeakPolarHBondContact O-CA 3.39Å; D211-S228 PolarHBondContact O-OG 3.05Å; S228-D230 PolarHBondContact O-N 3.15Å; S228-D230 WeakPolarHBondContact OG-CB 3.27Å; S228-D230 PolarHBondContact OG-N 3.19Å; S228-D230 VanDerWaalsContact OG-N 3.09Å; S228-Q233 WeakPolarHBondContact CB-O 3.44Å; S228-P234 PolarHBondContact N-O 3.27Å; S228-G255 WeakPolarHBondContact O-CA 3.07Å; S228-V256 PolarHBondContact O-N 2.93Å
229	R	94	Very high	93.1	Very high	109 Å²	109	34.7 Å²	34.7	41%	0.411	18%	0.183	S	C	.	.	S	Bend	trans	-71	-15.3	167.3	-166.5	179.4	178.4	180	-3.2	112.7	D211 S231 G255	D211-R229 HydrophobicContact CB-CB 4.41Å; D211-R229 PolarHBondContact O-N 3.12Å; D211-R229 IonicContact OD2-NH1 2.99Å; R229-S231 PolarHBondContact O-N 3.14Å; R229-G255 VanDerWaalsContact O-CA 3.26Å; R229-G255 WeakPolarHBondContact O-CA 3.45Å
230	D	91.3	Very high	93.1	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	17%	0.168	C	C	.	.			trans	-65.6	129.8	178.7	-171	5.6	0	0	0	111.5	S228 Q232 Q233 P234	S228-D230 PolarHBondContact O-N 3.15Å; S228-D230 WeakPolarHBondContact OG-CB 3.27Å; S228-D230 PolarHBondContact OG-N 3.19Å; S228-D230 VanDerWaalsContact OG-N 3.09Å; D230-Q232 VanDerWaalsContact C-N 3.34Å; D230-Q232 PolarHBondContact OD1-N 2.95Å; D230-Q233 CarbonylContact O-C 3.57Å; D230-P234 WeakPolarHBondContact O-CA 3.49Å
231	S	89.1	Confident	93	Very high	60 Å²	60	37.6 Å²	37.6	42%	0.42	18%	0.175	S	C	.	.	S	Bend	trans	-72.8	-29.5	175.3	175.6	0	0	0	0	111.7	R229 K253	R229-S231 PolarHBondContact O-N 3.14Å; S231-K253 PolarHBondContact OG-O 3.03Å
232	Q	90	Very high	93.1	Very high	135 Å²	135	37.3 Å²	37.3	63%	0.631	18%	0.181	S	C	*	.	S	Bend	trans	-77.5	-26.6	-180	-62.9	-58.3	-44.9	0	0	112.5	D230 H250	D230-Q232 VanDerWaalsContact C-N 3.34Å; D230-Q232 PolarHBondContact OD1-N 2.95Å; Q232-H250 PolarHBondContact O-CD2 3.42Å; Q232-H250 PolarHBondContact O-NE2 2.94Å; Q232-H250 VanDerWaalsContact O-NE2 3.09Å
233	Q	84.1	Confident	93.1	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.262	19%	0.192	S	C	.	.	S	Bend	trans	-140.6	68.4	-175.3	-62.7	-177	-7.6	0	0	110.9	G207 H208 S228 D230 K236 T248	G207-Q233 PolarHBondContact O-OE1 2.88Å; H208-Q233 PolarHBondContact ND1-O 2.88Å; S228-Q233 WeakPolarHBondContact CB-O 3.44Å; D230-Q233 CarbonylContact O-C 3.57Å; Q233-K236 VanDerWaalsContact CD-NZ 3.34Å; Q233-T248 HydrophobicContact CB-CG2 4.25Å; Q233-T248 HydrophobicContact CG-CG2 4.33Å
234	P	88	Confident	93	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.203	C	C	.	.			trans	-72.1	-37.5	-167.8	24.8	-30	0	0	0	112.4	G227 S228 D230 L249 V256	G227-P234 CarbonylContact C-O 3.59Å; G227-P234 WeakPolarHBondContact CA-O 3.34Å; S228-P234 PolarHBondContact N-O 3.27Å; D230-P234 WeakPolarHBondContact O-CA 3.49Å; P234-L249 WeakPolarHBondContact CG-O 3.31Å; P234-V256 HydrophobicContact CB-CG2 3.69Å
235	V	95.1	Very high	92.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.1	-177.7	-176.1	0	0	0	0	110.7	V225 T226 T248 L249 V256 T270	V225-V235 HydrophobicContact CG1-CG1 3.36Å; T226-V235 VanDerWaalsContact O-CA 3.3Å; T226-V235 WeakPolarHBondContact O-CA 3.32Å; V235-T248 CarbonylContact O-C 3.6Å; V235-T248 WeakPolarHBondContact O-CA 3.45Å; V235-L249 HydrophobicContact CB-CB 4.15Å; V235-L249 HydrophobicContact CG1-CD1 4.12Å; V235-L249 PolarHBondContact O-N 3.49Å; V235-V256 HydrophobicContact CG2-CB 4.32Å; V235-V256 HydrophobicContact CG2-CG1 4.18Å; V235-V256 HydrophobicContact CG2-CG2 3.77Å; V235-T270 HydrophobicContact CG2-CG2 4.09Å
236	K	95.3	Very high	92.7	Very high	11 Å²	11	47 Å²	47	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.5	174.9	-71	-173.9	-178	-172.5	0	112	G207 V225 T226 Q233 W238 R247 T248	G207-K236 PolarHBondContact O-NZ 2.95Å; V225-K236 CarbonylContact C-O 3.54Å; V225-K236 WeakPolarHBondContact CA-O 3.23Å; T226-K236 PolarHBondContact N-O 2.66Å; T226-K236 PolarHBondContact O-N 3Å; T226-K236 PolarHBondContact OG1-O 2.82Å; T226-K236 VanDerWaalsContact OG1-O 3.05Å; Q233-K236 VanDerWaalsContact CD-NZ 3.34Å; K236-W238 HydrophobicContact CB-CZ2 3.98Å; K236-W238 HydrophobicContact CD-CH2 4.14Å; K236-W238 HydrophobicContact CD-CZ2 3.52Å; K236-W238 HydrophobicContact CG-CZ2 4.41Å; K236-R247 WeakPolarHBondContact CA-O 3.45Å; K236-T248 HydrophobicContact CG-CG2 3.97Å
237	L	95.9	Very high	92.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.7	170.2	-66.2	175.4	0	0	0	110	L224 V225 C245 I246 R247 L249 F261 M285	L224-L237 CarbonylContact O-C 3.58Å; L224-L237 WeakPolarHBondContact O-CA 3.49Å; V225-L237 HydrophobicContact CB-CD2 3.95Å; V225-L237 HydrophobicContact CG1-CD2 3.87Å; V225-L237 HydrophobicContact CG2-CD2 3.22Å; L237-C245 CarbonylContact O-C 3.6Å; L237-C245 WeakPolarHBondContact O-CA 3.47Å; L237-I246 HydrophobicContact CB-CB 4.33Å; L237-I246 PolarHBondContact O-N 2.84Å; L237-R247 HydrophobicContact CD1-CB 4.41Å; L237-R247 PolarHBondContact N-O 2.86Å; L237-L249 HydrophobicContact CD1-CD1 4.21Å; L237-L249 HydrophobicContact CG-CD1 4.36Å; L237-F261 HydrophobicContact CD2-CZ 4.48Å; L237-M285 HydrophobicContact CD1-CE 3.24Å; L237-M285 HydrophobicContact CD1-SD 3.33Å; L237-M285 WeakPolarHBondContact CD1-SD 3.33Å
238	W	96	Very high	92.6	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.1	-174.7	-58.2	94.6	0	0	0	110.9	L205 R206 L224 T226 K236 E243 C245	L205-W238 HydrophobicContact CB-CD2 4.08Å; L205-W238 HydrophobicContact CB-CE3 4.16Å; L205-W238 HydrophobicContact CB-CH2 4.47Å; L205-W238 HydrophobicContact CB-CZ2 4.37Å; L205-W238 HydrophobicContact CB-CZ3 4.34Å; L205-W238 HydrophobicContact CD1-CB 3.95Å; L205-W238 HydrophobicContact CD1-CD2 4.13Å; L205-W238 HydrophobicContact CD1-CG 3.78Å; L205-W238 HydrophobicContact CD2-CB 4.38Å; L205-W238 HydrophobicContact CD2-CD2 4.25Å; L205-W238 HydrophobicContact CD2-CE3 3.98Å; L205-W238 HydrophobicContact CD2-CG 4.44Å; L205-W238 HydrophobicContact CG-CD2 4.38Å; L205-W238 HydrophobicContact CG-CE3 4.49Å; R206-W238 VanDerWaalsContact O-CH2 3.31Å; R206-W238 WeakPolarHBondContact O-CH2 3.34Å; L224-W238 HydrophobicContact CB-CB 4.34Å; L224-W238 HydrophobicContact CD2-CB 4.34Å; L224-W238 HydrophobicContact CD2-CG 4.34Å; L224-W238 PolarHBondContact N-O 3.32Å; L224-W238 PolarHBondContact O-N 2.92Å; T226-W238 PolarHBondContact OG1-NE1 2.88Å; K236-W238 HydrophobicContact CB-CZ2 3.98Å; K236-W238 HydrophobicContact CD-CH2 4.14Å; K236-W238 HydrophobicContact CD-CZ2 3.52Å; K236-W238 HydrophobicContact CG-CZ2 4.41Å; W238-E243 WeakPolarHBondContact CZ3-O 3.29Å; W238-C245 HydrophobicContact CD2-CB 4.45Å; W238-C245 HydrophobicContact CE3-CB 3.85Å; W238-C245 HydrophobicContact CH2-CB 3.92Å; W238-C245 HydrophobicContact CZ3-CB 3.57Å
239	D	95.1	Very high	92.5	Very high	38 Å²	38	55 Å²	55	20%	0.203	27%	0.272	C	S	.	.			trans	-90.4	113.9	161.2	176.9	5.7	0	0	0	108.7	R241 T242 E243 A244 I246	D239-R241 PolarHBondContact O-N 2.95Å; D239-R241 VanDerWaalsContact O-N 3.13Å; D239-R241 WeakPolarHBondContact OD1-CB 3.13Å; D239-R241 PolarHBondContact OD1-N 2.7Å; D239-T242 WeakPolarHBondContact CB-OG1 3.43Å; D239-T242 VanDerWaalsContact CG-OG1 3.25Å; D239-T242 PolarHBondContact O-N 3.33Å; D239-T242 VanDerWaalsContact OD2-CG2 3.31Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.39Å; D239-T242 PolarHBondContact OD2-OG1 3.05Å; D239-E243 PolarHBondContact O-N 3.23Å; D239-A244 PolarHBondContact N-O 2.94Å; D239-A244 VanDerWaalsContact N-O 3.07Å; D239-I246 HydrophobicContact CB-CD1 3.99Å; D239-I246 HydrophobicContact CB-CG1 4.15Å
240	P	93.5	Very high	92.5	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.039	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.2	-178.9	27.9	-35.2	0	0	0	113.5	I193 W217 G222	I193-P240 HydrophobicContact CD1-CB 3.51Å; W217-P240 HydrophobicContact CH2-CB 3.6Å; W217-P240 HydrophobicContact CH2-CG 4.2Å; W217-P240 HydrophobicContact CZ2-CB 3.56Å; W217-P240 HydrophobicContact CZ2-CG 3.62Å; G222-P240 WeakPolarHBondContact O-CD 3.47Å; G222-P240 WeakPolarHBondContact O-CG 3.47Å
241	R	91.9	Very high	92.4	Very high	194 Å²	194	56.4 Å²	56.4	73%	0.732	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-38.7	-179.2	-58.9	173.6	-179	174.2	1.6	112.5	D239	D239-R241 PolarHBondContact O-N 2.95Å; D239-R241 VanDerWaalsContact O-N 3.13Å; D239-R241 WeakPolarHBondContact OD1-CB 3.13Å; D239-R241 PolarHBondContact OD1-N 2.7Å
242	T	90.9	Very high	92.6	Very high	86 Å²	86	53.9 Å²	53.9	53%	0.528	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-7.8	-172.7	58.1	0	0	0	0	113.7	D239 A244	D239-T242 WeakPolarHBondContact CB-OG1 3.43Å; D239-T242 VanDerWaalsContact CG-OG1 3.25Å; D239-T242 PolarHBondContact O-N 3.33Å; D239-T242 VanDerWaalsContact OD2-CG2 3.31Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.39Å; D239-T242 PolarHBondContact OD2-OG1 3.05Å; T242-A244 PolarHBondContact O-N 2.72Å; T242-A244 VanDerWaalsContact O-N 3.09Å; T242-A244 WeakPolarHBondContact OG1-CB 3.28Å
243	E	89	Confident	92.8	Very high	77 Å²	77	56.1 Å²	56.1	36%	0.36	27%	0.27	S	S	.	.			trans	61.8	4.4	-171	-47.5	-177.1	139	0	0	114.2	R203 V204 L205 W238 D239	R203-E243 WeakPolarHBondContact CA-OE1 3.47Å; R203-E243 HydrophobicContact CB-CG 3.87Å; R203-E243 WeakPolarHBondContact CB-OE1 3.49Å; R203-E243 VanDerWaalsContact CD-CG 3.46Å; R203-E243 WeakPolarHBondContact CD-OE1 3.42Å; R203-E243 HydrophobicContact CG-CG 3.9Å; R203-E243 WeakPolarHBondContact CG-OE1 3.32Å; V204-E243 PolarHBondContact N-OE1 3.45Å; L205-E243 HydrophobicContact CD2-CB 4.17Å; W238-E243 WeakPolarHBondContact CZ3-O 3.29Å; D239-E243 PolarHBondContact O-N 3.23Å
244	A	93	Very high	93.2	Very high	48 Å²	48	54.8 Å²	54.8	40%	0.397	27%	0.267	S	S	.	.			trans	-75.2	135.1	-176.6	0	0	0	0	0	110.7	D239 T242 I246	D239-A244 PolarHBondContact N-O 2.94Å; D239-A244 VanDerWaalsContact N-O 3.07Å; T242-A244 PolarHBondContact O-N 2.72Å; T242-A244 VanDerWaalsContact O-N 3.09Å; T242-A244 WeakPolarHBondContact OG1-CB 3.28Å; A244-I246 PolarHBondContact O-N 3.17Å
245	C	93.9	Very high	93.4	Very high	50 Å²	50	55.1 Å²	55.1	34%	0.338	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	112.6	165.1	-176.3	0	0	0	0	108.2	L237 W238	L237-C245 CarbonylContact O-C 3.6Å; L237-C245 WeakPolarHBondContact O-CA 3.47Å; W238-C245 HydrophobicContact CD2-CB 4.45Å; W238-C245 HydrophobicContact CE3-CB 3.85Å; W238-C245 HydrophobicContact CH2-CB 3.92Å; W238-C245 HydrophobicContact CZ3-CB 3.57Å
246	I	93.9	Very high	93.5	Very high	73 Å²	73	55 Å²	55	37%	0.374	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-43.5	178.3	-60.5	168.8	0	0	0	109.7	L223 L237 D239 A244	L223-I246 HydrophobicContact CD2-CD1 3.29Å; L237-I246 HydrophobicContact CB-CB 4.33Å; L237-I246 PolarHBondContact O-N 2.84Å; D239-I246 HydrophobicContact CB-CD1 3.99Å; D239-I246 HydrophobicContact CB-CG1 4.15Å; A244-I246 PolarHBondContact O-N 3.17Å
247	R	94.3	Very high	93.5	Very high	121 Å²	121	55.3 Å²	55.3	46%	0.457	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	145.5	-178.2	-152.5	155.8	-58.8	-172.7	8.8	111.7	K236 L237 L249	K236-R247 WeakPolarHBondContact CA-O 3.45Å; L237-R247 HydrophobicContact CD1-CB 4.41Å; L237-R247 PolarHBondContact N-O 2.86Å; R247-L249 HydrophobicContact CG-CD2 4.13Å
248	T	94.2	Very high	93.5	Very high	40 Å²	40	56.2 Å²	56.2	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.6	166.4	-54.5	0	0	0	0	108.1	Q233 V235 K236 H250	Q233-T248 HydrophobicContact CB-CG2 4.25Å; Q233-T248 HydrophobicContact CG-CG2 4.33Å; V235-T248 CarbonylContact O-C 3.6Å; V235-T248 WeakPolarHBondContact O-CA 3.45Å; K236-T248 HydrophobicContact CG-CG2 3.97Å; T248-H250 VanDerWaalsContact CG2-CE1 3.43Å; T248-H250 WeakPolarHBondContact CG2-CE1 3.19Å; T248-H250 PolarHBondContact O-ND1 3.23Å
249	L	94.1	Very high	93.5	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.1	-177.5	-56.1	171.7	0	0	0	108.6	P234 V235 L237 R247 F251 L268 I280 M285	P234-L249 WeakPolarHBondContact CG-O 3.31Å; V235-L249 HydrophobicContact CB-CB 4.15Å; V235-L249 HydrophobicContact CG1-CD1 4.12Å; V235-L249 PolarHBondContact O-N 3.49Å; L237-L249 HydrophobicContact CD1-CD1 4.21Å; L237-L249 HydrophobicContact CG-CD1 4.36Å; R247-L249 HydrophobicContact CG-CD2 4.13Å; L249-F251 HydrophobicContact CB-CD2 3.77Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CD1-CE2 4.05Å; L249-F251 HydrophobicContact CD2-CE2 3.9Å; L249-F251 HydrophobicContact CD2-CZ 4.31Å; L249-F251 HydrophobicContact CG-CE2 4.06Å; L249-L268 HydrophobicContact CD1-CD2 4.12Å; L249-I280 HydrophobicContact CD1-CD1 4.47Å; L249-M285 HydrophobicContact CD2-CB 4.17Å; L249-M285 HydrophobicContact CD2-SD 4.4Å
250	H	93.5	Very high	93.5	Very high	122 Å²	122	56.7 Å²	56.7	57%	0.565	28%	0.282	S	S	*	.			trans	-113.2	56.9	-173.8	-58.4	82.7	0	0	0	111	Q232 T248	Q232-H250 PolarHBondContact O-CD2 3.42Å; Q232-H250 PolarHBondContact O-NE2 2.94Å; Q232-H250 VanDerWaalsContact O-NE2 3.09Å; T248-H250 VanDerWaalsContact CG2-CE1 3.43Å; T248-H250 WeakPolarHBondContact CG2-CE1 3.19Å; T248-H250 PolarHBondContact O-ND1 3.23Å
251	F	90.5	Very high	93.7	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.224	28%	0.282	C	S	.	.			trans	-89.7	-33.2	-176.6	-61.4	-60.9	0	0	0	113.7	L249 K278 I280 M285 E287	L249-F251 HydrophobicContact CB-CD2 3.77Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CD1-CE2 4.05Å; L249-F251 HydrophobicContact CD2-CE2 3.9Å; L249-F251 HydrophobicContact CD2-CZ 4.31Å; L249-F251 HydrophobicContact CG-CE2 4.06Å; F251-K278 HydrophobicContact CB-CD 3.53Å; F251-K278 HydrophobicContact CG-CD 4.46Å; F251-K278 VanDerWaalsContact O-CE 3.23Å; F251-K278 WeakPolarHBondContact O-CE 3.3Å; F251-I280 HydrophobicContact CD2-CD1 3.42Å; F251-I280 VanDerWaalsContact CD2-CD1 3.42Å; F251-I280 HydrophobicContact CD2-CG1 3.91Å; F251-I280 HydrophobicContact CE2-CB 4.49Å; F251-I280 HydrophobicContact CE2-CD1 3.51Å; F251-I280 HydrophobicContact CE2-CG1 3.69Å; F251-I280 HydrophobicContact CE2-CG2 3.93Å; F251-I280 HydrophobicContact CG-CD1 4.48Å; F251-I280 HydrophobicContact CZ-CG1 4.42Å; F251-I280 HydrophobicContact CZ-CG2 4.35Å; F251-M285 WeakPolarHBondContact CZ-O 3.41Å; F251-E287 HydrophobicContact CD1-CB 4.16Å; F251-E287 HydrophobicContact CE1-CB 3.98Å
252	H	93.3	Very high	93.9	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.037	25%	0.248	C	C	.	.			trans	-97	147.4	-178.2	-71.3	-76	0	0	0	111.7	V256 T270 S272 D274 L276	H252-V256 HydrophobicContact CB-CG2 4.07Å; H252-T270 PolarHBondContact NE2-O 3.07Å; H252-T270 PolarHBondContact NE2-OG1 2.87Å; H252-S272 VanDerWaalsContact CE1-CB 3.47Å; H252-S272 WeakPolarHBondContact CE1-CB 3.43Å; H252-S272 VanDerWaalsContact CG-CB 3.46Å; H252-S272 WeakPolarHBondContact ND1-CB 3.35Å; H252-D274 WeakPolarHBondContact CA-OD2 3.37Å; H252-D274 WeakPolarHBondContact CB-OD2 3.45Å; H252-D274 IonicContact CE1-OD1 3.67Å; H252-D274 IonicContact CG-OD2 2.89Å; H252-D274 IonicContact ND1-OD1 3.21Å; H252-D274 PolarHBondContact ND1-OD1 2.7Å; H252-D274 IonicContact ND1-OD2 3.76Å; H252-D274 PolarHBondContact ND1-OD2 3.24Å; H252-L276 PolarHBondContact CE1-O 3.16Å
253	K	92.4	Very high	94	Very high	181 Å²	181	47.9 Å²	47.9	79%	0.787	26%	0.257	S	S	*	.	S	Bend	trans	-86	-26.1	176.9	-67.1	-179.8	-179	176.2	0	112.3	S231 D274	S231-K253 PolarHBondContact OG-O 3.03Å; K253-D274 PolarHBondContact N-OD2 3.32Å; K253-D274 VanDerWaalsContact N-OD2 3.15Å
254	S	93.4	Very high	94.2	Very high	29 Å²	29	46.4 Å²	46.4	20%	0.203	25%	0.252	C	S	.	.	S	Bend	trans	-113.6	174.5	178.4	60.8	0	0	0	0	111.6	S272 R273 D274	S254-S272 PolarHBondContact O-OG 3.23Å; S254-S272 PolarHBondContact OG-OG 3.41Å; S254-R273 PolarHBondContact OG-N 2.77Å; S254-D274 WeakPolarHBondContact OG-CB 3.42Å; S254-D274 PolarHBondContact OG-N 3.29Å
255	G	92.8	Very high	94.2	Very high	7 Å²	7	44.1 Å²	44.1	7%	0.072	23%	0.233	C	C	.	.			trans	-58.1	136.2	175.9	0	0	0	0	0	113.4	S228 R229 S272 R273	S228-G255 WeakPolarHBondContact O-CA 3.07Å; R229-G255 VanDerWaalsContact O-CA 3.26Å; R229-G255 WeakPolarHBondContact O-CA 3.45Å; G255-S272 PolarHBondContact O-OG 3.47Å; G255-S272 VanDerWaalsContact O-OG 3.08Å; G255-R273 PolarHBondContact O-N 3.22Å
256	V	95.9	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.5	178.1	173.4	0	0	0	0	108.9	S228 P234 V235 H252 T258 V259 G271	S228-V256 PolarHBondContact O-N 2.93Å; P234-V256 HydrophobicContact CB-CG2 3.69Å; V235-V256 HydrophobicContact CG2-CB 4.32Å; V235-V256 HydrophobicContact CG2-CG1 4.18Å; V235-V256 HydrophobicContact CG2-CG2 3.77Å; H252-V256 HydrophobicContact CB-CG2 4.07Å; V256-T258 VanDerWaalsContact CG1-O 3.31Å; V256-T258 WeakPolarHBondContact CG1-O 3.33Å; V256-V259 HydrophobicContact CG1-CG2 3.57Å; V256-G271 WeakPolarHBondContact CG1-O 3.41Å
257	T	95.3	Very high	94.3	Very high	17 Å²	17	43 Å²	43	10%	0.104	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-37.5	-178	49.5	0	0	0	0	111.2	G271 R273 V298	T257-G271 PolarHBondContact N-O 3.3Å; T257-G271 PolarHBondContact OG1-O 2.92Å; T257-G271 VanDerWaalsContact OG1-O 3.04Å; T257-R273 HydrophobicContact CG2-CG 3.76Å; T257-V298 WeakPolarHBondContact CB-O 3.48Å; T257-V298 WeakPolarHBondContact CG2-O 3.49Å; T257-V298 PolarHBondContact OG1-O 2.83Å
258	T	95.6	Very high	94.4	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.3	-173.5	51.7	0	0	0	0	111.3	V256 T270 G271 T299	V256-T258 VanDerWaalsContact CG1-O 3.31Å; V256-T258 WeakPolarHBondContact CG1-O 3.33Å; T258-T270 WeakPolarHBondContact O-CA 3.26Å; T258-G271 PolarHBondContact N-O 3.01Å; T258-G271 PolarHBondContact O-N 2.91Å; T258-G271 WeakPolarHBondContact OG1-CA 3.44Å; T258-G271 PolarHBondContact OG1-N 3.4Å; T258-T299 VanDerWaalsContact CG2-O 3.23Å; T258-T299 WeakPolarHBondContact CG2-O 3.49Å
259	V	96.4	Very high	94.5	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.1	177.1	179.6	0	0	0	0	106.8	A214 V225 V256 L268 L269 T270	A214-V259 HydrophobicContact CB-CB 3.95Å; A214-V259 HydrophobicContact CB-CG2 4.01Å; V225-V259 HydrophobicContact CB-CG1 3.72Å; V225-V259 HydrophobicContact CG1-CG1 3.52Å; V225-V259 HydrophobicContact CG2-CG1 4.38Å; V256-V259 HydrophobicContact CG1-CG2 3.57Å; V259-L268 HydrophobicContact CG1-CD1 3.52Å; V259-L268 HydrophobicContact CG1-CG 4.44Å; V259-L269 WeakPolarHBondContact CA-O 3.33Å; V259-T270 HydrophobicContact CG1-CG2 4.43Å; V259-T270 HydrophobicContact CG2-CG2 4.27Å
260	D	96.3	Very high	94.6	Very high	42 Å²	42	35.1 Å²	35.1	23%	0.225	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	128.4	-176.2	-164.4	7.2	0	0	0	110.9	L269 W303	D260-L269 PolarHBondContact N-O 3.03Å; D260-L269 PolarHBondContact O-N 2.84Å; D260-W303 VanDerWaalsContact CG-CD1 3.45Å; D260-W303 PolarHBondContact O-NE1 2.8Å
261	F	96.6	Very high	94.8	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.044	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.4	173	-78	-62	0	0	0	110.9	D216 H218 V225 L237 L268 I282	D216-F261 HydrophobicContact CB-CD2 4.32Å; D216-F261 VanDerWaalsContact OD2-CB 3.24Å; D216-F261 WeakPolarHBondContact OD2-CB 3.2Å; D216-F261 VanDerWaalsContact OD2-CD2 3.23Å; D216-F261 WeakPolarHBondContact OD2-CD2 3.25Å; D216-F261 PolarHBondContact OD2-N 3.05Å; H218-F261 VanDerWaalsContact CA-CD2 3.49Å; H218-F261 HydrophobicContact CB-CD2 4.03Å; H218-F261 HydrophobicContact CB-CE2 3.63Å; H218-F261 HydrophobicContact CB-CZ 3.94Å; H218-F261 AromaticContact CD2-CE1 3.95Å; H218-F261 AromaticContact CD2-CZ 3.96Å; V225-F261 HydrophobicContact CB-CE2 4.34Å; V225-F261 HydrophobicContact CB-CZ 4.39Å; V225-F261 HydrophobicContact CG2-CD1 4.5Å; V225-F261 HydrophobicContact CG2-CD2 4.13Å; V225-F261 HydrophobicContact CG2-CE1 3.66Å; V225-F261 HydrophobicContact CG2-CE2 3.23Å; V225-F261 HydrophobicContact CG2-CZ 2.98Å; L237-F261 HydrophobicContact CD2-CZ 4.48Å; F261-L268 HydrophobicContact CD1-CB 4.19Å; F261-L268 HydrophobicContact CD1-CD1 3.73Å; F261-L268 HydrophobicContact CE1-CB 4.2Å; F261-L268 HydrophobicContact CE1-CD1 3.77Å; F261-L268 HydrophobicContact CE1-CG 4.49Å; F261-L268 HydrophobicContact CG-CD1 4.26Å; F261-L268 HydrophobicContact CZ-CD1 4.39Å; F261-I282 HydrophobicContact CD1-CD1 3.51Å; F261-I282 HydrophobicContact CD1-CG1 4.38Å; F261-I282 HydrophobicContact CE1-CD1 3.26Å; F261-I282 HydrophobicContact CE1-CG1 3.84Å; F261-I282 HydrophobicContact CZ-CD1 4.4Å
262	N	95.9	Very high	95	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	15%	0.149	C	C	.	.			trans	-70.5	144.9	167.1	-168.5	-46.5	0	0	0	110.2	N264 G265 W267 W303 E308	N262-N264 WeakPolarHBondContact CB-OD1 3.48Å; N262-N264 PolarHBondContact O-N 3Å; N262-N264 VanDerWaalsContact O-N 3.11Å; N262-N264 PolarHBondContact OD1-N 2.85Å; N262-G265 WeakPolarHBondContact O-CA 3.33Å; N262-G265 PolarHBondContact O-N 3.2Å; N262-W267 HydrophobicContact CB-CB 3.98Å; N262-W267 PolarHBondContact N-O 3.41Å; N262-W267 VanDerWaalsContact ND2-CE3 3.3Å; N262-W303 HydrophobicContact CB-CD2 4.39Å; N262-W303 HydrophobicContact CB-CH2 4.48Å; N262-W303 HydrophobicContact CB-CZ2 3.99Å; N262-W303 WeakPolarHBondContact ND2-CZ3 3.08Å; N262-E308 PolarHBondContact ND2-O 3.06Å
263	A	92.7	Very high	95.1	Very high	88 Å²	88	29.4 Å²	29.4	73%	0.727	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.8	172.8	0	0	0	0	0	113.8	G265	A263-G265 PolarHBondContact O-N 2.98Å
264	N	93.1	Very high	95.2	Very high	46 Å²	46	22.6 Å²	22.6	25%	0.246	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.8	173.8	69.8	21.2	0	0	0	113.7	N262 N266 W267 E308	N262-N264 WeakPolarHBondContact CB-OD1 3.48Å; N262-N264 PolarHBondContact O-N 3Å; N262-N264 VanDerWaalsContact O-N 3.11Å; N262-N264 PolarHBondContact OD1-N 2.85Å; N264-N266 VanDerWaalsContact C-N 3.27Å; N264-N266 PolarHBondContact O-N 2.92Å; N264-N266 PolarHBondContact OD1-N 3.05Å; N264-W267 PolarHBondContact OD1-N 3.04Å; N264-E308 PolarHBondContact ND2-OE2 2.81Å; N264-E308 VanDerWaalsContact ND2-OE2 3.14Å
265	G	93.3	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	70.8	13.5	179.2	0	0	0	0	0	114.8	H218 K221 N262 A263 I282	H218-G265 WeakPolarHBondContact NE2-CA 3.02Å; H218-G265 PolarHBondContact NE2-O 2.79Å; K221-G265 PolarHBondContact NZ-O 2.86Å; N262-G265 WeakPolarHBondContact O-CA 3.33Å; N262-G265 PolarHBondContact O-N 3.2Å; A263-G265 PolarHBondContact O-N 2.98Å; G265-I282 WeakPolarHBondContact O-CD1 3.27Å
266	N	95.3	Very high	95.4	Very high	52 Å²	52	26.2 Å²	26.2	28%	0.278	14%	0.143	S	C	.	.	S	Bend	trans	-106.5	-32.7	177.9	-65.8	-39.4	0	0	0	112.2	N264 I282	N264-N266 VanDerWaalsContact C-N 3.27Å; N264-N266 PolarHBondContact O-N 2.92Å; N264-N266 PolarHBondContact OD1-N 3.05Å; N266-I282 WeakPolarHBondContact O-CD1 3.49Å; N266-I282 WeakPolarHBondContact O-CG1 3.3Å; N266-I282 PolarHBondContact O-N 3.12Å
267	W	95.8	Very high	95.4	Very high	48 Å²	48	26.2 Å²	26.2	18%	0.182	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.4	-177.4	-58.5	-26.1	0	0	0	112.2	N262 N264 L279 I280 W303 T325	N262-W267 HydrophobicContact CB-CB 3.98Å; N262-W267 PolarHBondContact N-O 3.41Å; N262-W267 VanDerWaalsContact ND2-CE3 3.3Å; N264-W267 PolarHBondContact OD1-N 3.04Å; W267-L279 HydrophobicContact CB-CD1 3.83Å; W267-L279 HydrophobicContact CD2-CD1 4.49Å; W267-L279 HydrophobicContact CD2-CD2 4.46Å; W267-L279 HydrophobicContact CG-CD1 4.18Å; W267-L279 HydrophobicContact CG-CG 4.48Å; W267-I280 WeakPolarHBondContact CA-O 3.28Å; W267-W303 HydrophobicContact CE3-CH2 4.12Å; W267-T325 HydrophobicContact CE3-CG2 4.11Å; W267-T325 HydrophobicContact CZ3-CG2 3.93Å; W267-T325 WeakPolarHBondContact CZ3-OG1 3.3Å
268	L	96.5	Very high	95.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	168.9	175.4	69.5	0	0	0	107.9	V225 L249 V259 F261 T270 I280 I282	V225-L268 HydrophobicContact CB-CD1 4.29Å; V225-L268 HydrophobicContact CG1-CD1 4.28Å; V225-L268 HydrophobicContact CG1-CD2 4.09Å; V225-L268 HydrophobicContact CG2-CD1 3.64Å; V225-L268 HydrophobicContact CG2-CD2 4.17Å; L249-L268 HydrophobicContact CD1-CD2 4.12Å; V259-L268 HydrophobicContact CG1-CD1 3.52Å; V259-L268 HydrophobicContact CG1-CG 4.44Å; F261-L268 HydrophobicContact CD1-CB 4.19Å; F261-L268 HydrophobicContact CD1-CD1 3.73Å; F261-L268 HydrophobicContact CE1-CB 4.2Å; F261-L268 HydrophobicContact CE1-CD1 3.77Å; F261-L268 HydrophobicContact CE1-CG 4.49Å; F261-L268 HydrophobicContact CG-CD1 4.26Å; F261-L268 HydrophobicContact CZ-CD1 4.39Å; L268-T270 HydrophobicContact CD2-CG2 4.24Å; L268-T270 HydrophobicContact CG-CG2 4.16Å; L268-I280 HydrophobicContact CB-CB 4.25Å; L268-I280 HydrophobicContact CD2-CD1 4.16Å; L268-I280 PolarHBondContact N-O 3.41Å; L268-I280 PolarHBondContact O-N 2.97Å; L268-I282 HydrophobicContact CB-CG1 4.09Å
269	L	96.5	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.4	174.8	-169	155.1	0	0	0	109.5	V259 D260 I277 K278 V301 W303 F311	V259-L269 WeakPolarHBondContact CA-O 3.33Å; D260-L269 PolarHBondContact N-O 3.03Å; D260-L269 PolarHBondContact O-N 2.84Å; L269-I277 HydrophobicContact CD1-CG2 4.14Å; L269-I277 HydrophobicContact CD2-CG2 3.44Å; L269-I277 VanDerWaalsContact CD2-CG2 3.44Å; L269-I277 HydrophobicContact CG-CG2 3.7Å; L269-K278 WeakPolarHBondContact CA-O 3.49Å; L269-V301 HydrophobicContact CD1-CG1 3.84Å; L269-V301 HydrophobicContact CD2-CB 3.85Å; L269-V301 HydrophobicContact CD2-CG1 3.4Å; L269-V301 HydrophobicContact CD2-CG2 3.74Å; L269-V301 HydrophobicContact CG-CG1 4.25Å; L269-W303 HydrophobicContact CB-CZ2 3.72Å; L269-W303 HydrophobicContact CD1-CH2 4.11Å; L269-W303 HydrophobicContact CD1-CZ2 3.67Å; L269-W303 HydrophobicContact CG-CZ2 4.34Å; L269-F311 HydrophobicContact CD1-CB 4.37Å; L269-F311 HydrophobicContact CD1-CD1 3.79Å; L269-F311 HydrophobicContact CD1-CD2 3.53Å; L269-F311 HydrophobicContact CD1-CE1 3.86Å; L269-F311 HydrophobicContact CD1-CE2 3.6Å; L269-F311 HydrophobicContact CD1-CG 3.62Å; L269-F311 HydrophobicContact CD1-CZ 3.77Å
270	T	96.4	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.6	176.3	60.8	0	0	0	0	110.8	V235 H252 T258 V259 L268 I277 K278 I280	V235-T270 HydrophobicContact CG2-CG2 4.09Å; H252-T270 PolarHBondContact NE2-O 3.07Å; H252-T270 PolarHBondContact NE2-OG1 2.87Å; T258-T270 WeakPolarHBondContact O-CA 3.26Å; V259-T270 HydrophobicContact CG1-CG2 4.43Å; V259-T270 HydrophobicContact CG2-CG2 4.27Å; L268-T270 HydrophobicContact CD2-CG2 4.24Å; L268-T270 HydrophobicContact CG-CG2 4.16Å; T270-I277 CarbonylContact O-C 3.53Å; T270-I277 VanDerWaalsContact O-CA 3.3Å; T270-I277 WeakPolarHBondContact O-CA 3.12Å; T270-K278 PolarHBondContact N-O 2.87Å; T270-K278 PolarHBondContact O-N 2.61Å; T270-I280 HydrophobicContact CG2-CD1 3.85Å
271	G	95.8	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.6	174.3	0	0	0	0	0	111.1	V256 T257 T258	V256-G271 WeakPolarHBondContact CG1-O 3.41Å; T257-G271 PolarHBondContact N-O 3.3Å; T257-G271 PolarHBondContact OG1-O 2.92Å; T257-G271 VanDerWaalsContact OG1-O 3.04Å; T258-G271 PolarHBondContact N-O 3.01Å; T258-G271 PolarHBondContact O-N 2.91Å; T258-G271 WeakPolarHBondContact OG1-CA 3.44Å; T258-G271 PolarHBondContact OG1-N 3.4Å
272	S	95.8	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.5	-170.8	179.1	0	0	0	0	113	H252 S254 G255 D274 H275 L276 V298	H252-S272 VanDerWaalsContact CE1-CB 3.47Å; H252-S272 WeakPolarHBondContact CE1-CB 3.43Å; H252-S272 VanDerWaalsContact CG-CB 3.46Å; H252-S272 WeakPolarHBondContact ND1-CB 3.35Å; S254-S272 PolarHBondContact O-OG 3.23Å; S254-S272 PolarHBondContact OG-OG 3.41Å; G255-S272 PolarHBondContact O-OG 3.47Å; G255-S272 VanDerWaalsContact O-OG 3.08Å; S272-D274 WeakPolarHBondContact CB-OD1 3.26Å; S272-D274 PolarHBondContact O-N 3.3Å; S272-D274 PolarHBondContact OG-OD1 3.39Å; S272-H275 PolarHBondContact O-N 2.84Å; S272-L276 PolarHBondContact N-O 2.9Å; S272-V298 PolarHBondContact O-N 3.5Å; S272-V298 VanDerWaalsContact O-N 3.12Å
273	R	95.1	Very high	95.2	Very high	61 Å²	61	31.8 Å²	31.8	23%	0.23	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.7	174.4	-56.1	-172.7	-170.9	-173.3	-0.3	114.3	S254 G255 T257 H275 D297	S254-R273 PolarHBondContact OG-N 2.77Å; G255-R273 PolarHBondContact O-N 3.22Å; T257-R273 HydrophobicContact CG2-CG 3.76Å; R273-H275 PolarHBondContact O-CD2 3.44Å; R273-H275 PolarHBondContact O-N 2.62Å; R273-D297 HydrophobicContact CB-CB 4.24Å; R273-D297 WeakPolarHBondContact CB-OD2 3.14Å; R273-D297 WeakPolarHBondContact CD-OD2 3.47Å; R273-D297 HydrophobicContact CG-CB 4.19Å; R273-D297 WeakPolarHBondContact CG-OD2 3.49Å
274	D	94.5	Very high	95.1	Very high	37 Å²	37	30.2 Å²	30.2	20%	0.198	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	10.3	172.6	56.9	10.8	0	0	0	111.3	H252 K253 S254 S272 L276	H252-D274 WeakPolarHBondContact CA-OD2 3.37Å; H252-D274 WeakPolarHBondContact CB-OD2 3.45Å; H252-D274 IonicContact CE1-OD1 3.67Å; H252-D274 IonicContact CG-OD2 2.89Å; H252-D274 IonicContact ND1-OD1 3.21Å; H252-D274 PolarHBondContact ND1-OD1 2.7Å; H252-D274 IonicContact ND1-OD2 3.76Å; H252-D274 PolarHBondContact ND1-OD2 3.24Å; K253-D274 PolarHBondContact N-OD2 3.32Å; K253-D274 VanDerWaalsContact N-OD2 3.15Å; S254-D274 WeakPolarHBondContact OG-CB 3.42Å; S254-D274 PolarHBondContact OG-N 3.29Å; S272-D274 WeakPolarHBondContact CB-OD1 3.26Å; S272-D274 PolarHBondContact O-N 3.3Å; S272-D274 PolarHBondContact OG-OD1 3.39Å; D274-L276 PolarHBondContact O-N 3.2Å; D274-L276 WeakPolarHBondContact OD1-CB 3.2Å; D274-L276 PolarHBondContact OD1-N 2.89Å
275	H	95.1	Very high	95.1	Very high	71 Å²	71	29.2 Å²	29.2	33%	0.329	14%	0.135	S	C	.	.	S	Bend	trans	67.2	14.1	-179.5	-40.8	170	0	0	0	113	S272 R273 H294 M295 K296 D297	S272-H275 PolarHBondContact O-N 2.84Å; R273-H275 PolarHBondContact O-CD2 3.44Å; R273-H275 PolarHBondContact O-N 2.62Å; H275-H294 HydrophobicContact CB-CB 4.41Å; H275-H294 WeakPolarHBondContact CB-O 3.37Å; H275-M295 PolarHBondContact CE1-O 2.86Å; H275-M295 PolarHBondContact ND1-O 2.92Å; H275-K296 PolarHBondContact CD2-O 2.82Å; H275-D297 PolarHBondContact CD2-N 3.46Å; H275-D297 VanDerWaalsContact CD2-N 3.3Å; H275-D297 IonicContact CD2-OD1 2.71Å; H275-D297 IonicContact NE2-OD1 3.22Å
276	L	95.9	Very high	95.1	Very high	41 Å²	41	33.9 Å²	33.9	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.3	-178.7	-55.2	177.8	0	0	0	110.8	H252 S272 D274 T290 K292	H252-L276 PolarHBondContact CE1-O 3.16Å; S272-L276 PolarHBondContact N-O 2.9Å; D274-L276 PolarHBondContact O-N 3.2Å; D274-L276 WeakPolarHBondContact OD1-CB 3.2Å; D274-L276 PolarHBondContact OD1-N 2.89Å; L276-T290 HydrophobicContact CB-CG2 4.25Å; L276-T290 HydrophobicContact CD1-CG2 4.13Å; L276-T290 HydrophobicContact CD2-CG2 4.07Å; L276-T290 HydrophobicContact CG-CG2 4.38Å; L276-K292 HydrophobicContact CD2-CG 3.69Å
277	I	96.3	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.1	163.8	-54.5	173	0	0	0	107.1	L269 T270 T290 F291 V298 V301 F311	L269-I277 HydrophobicContact CD1-CG2 4.14Å; L269-I277 HydrophobicContact CD2-CG2 3.44Å; L269-I277 VanDerWaalsContact CD2-CG2 3.44Å; L269-I277 HydrophobicContact CG-CG2 3.7Å; T270-I277 CarbonylContact O-C 3.53Å; T270-I277 VanDerWaalsContact O-CA 3.3Å; T270-I277 WeakPolarHBondContact O-CA 3.12Å; I277-T290 CarbonylContact O-C 3.49Å; I277-F291 HydrophobicContact CB-CB 4.14Å; I277-F291 HydrophobicContact CB-CD2 4.08Å; I277-F291 HydrophobicContact CG2-CD2 3.98Å; I277-F291 PolarHBondContact N-O 3.15Å; I277-F291 PolarHBondContact O-N 3.5Å; I277-V298 HydrophobicContact CD1-CG1 4Å; I277-V298 HydrophobicContact CD1-CG2 4.32Å; I277-V298 HydrophobicContact CG1-CB 4.43Å; I277-V298 HydrophobicContact CG1-CG1 3.98Å; I277-V298 HydrophobicContact CG1-CG2 3.84Å; I277-V301 HydrophobicContact CD1-CG2 4.31Å; I277-F311 HydrophobicContact CD1-CE2 4.17Å; I277-F311 HydrophobicContact CG2-CE2 4.16Å; I277-F311 HydrophobicContact CG2-CZ 4.37Å
278	K	95.6	Very high	94.9	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137	-179.2	-64.2	-177.4	171.6	-83.3	0	110.6	F251 L269 T270 E287 F289 T290	F251-K278 HydrophobicContact CB-CD 3.53Å; F251-K278 HydrophobicContact CG-CD 4.46Å; F251-K278 VanDerWaalsContact O-CE 3.23Å; F251-K278 WeakPolarHBondContact O-CE 3.3Å; L269-K278 WeakPolarHBondContact CA-O 3.49Å; T270-K278 PolarHBondContact N-O 2.87Å; T270-K278 PolarHBondContact O-N 2.61Å; K278-E287 WeakPolarHBondContact CD-OE1 3.47Å; K278-E287 WeakPolarHBondContact CG-OE1 3.49Å; K278-E287 IonicContact NZ-OE1 3.12Å; K278-E287 PolarHBondContact NZ-OE1 2.86Å; K278-E287 IonicContact NZ-OE2 3.87Å; K278-E287 PolarHBondContact NZ-OE2 2.88Å; K278-F289 WeakPolarHBondContact CA-O 3.28Å; K278-T290 HydrophobicContact CG-CG2 4.26Å
279	L	96.5	Very high	94.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.5	172.3	-168.1	69.4	0	0	0	109	W267 I288 F289 F291 W303 T325	W267-L279 HydrophobicContact CB-CD1 3.83Å; W267-L279 HydrophobicContact CD2-CD1 4.49Å; W267-L279 HydrophobicContact CD2-CD2 4.46Å; W267-L279 HydrophobicContact CG-CD1 4.18Å; W267-L279 HydrophobicContact CG-CG 4.48Å; L279-I288 HydrophobicContact CD2-CB 4.43Å; L279-I288 HydrophobicContact CD2-CD1 4.21Å; L279-I288 HydrophobicContact CG-CD1 4.25Å; L279-I288 PolarHBondContact O-N 3.38Å; L279-F289 HydrophobicContact CB-CB 4.18Å; L279-F289 PolarHBondContact N-O 2.93Å; L279-F289 PolarHBondContact O-N 3.05Å; L279-F291 HydrophobicContact CB-CE2 3.98Å; L279-W303 HydrophobicContact CD1-CH2 3.8Å; L279-W303 HydrophobicContact CD1-CZ2 3.97Å; L279-T325 HydrophobicContact CD1-CG2 4.32Å; L279-T325 HydrophobicContact CD2-CG2 3.88Å
280	I	95.6	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.3	-173.5	-59	155.7	0	0	0	108.7	L249 F251 W267 L268 T270 D286	L249-I280 HydrophobicContact CD1-CD1 4.47Å; F251-I280 HydrophobicContact CD2-CD1 3.42Å; F251-I280 VanDerWaalsContact CD2-CD1 3.42Å; F251-I280 HydrophobicContact CD2-CG1 3.91Å; F251-I280 HydrophobicContact CE2-CB 4.49Å; F251-I280 HydrophobicContact CE2-CD1 3.51Å; F251-I280 HydrophobicContact CE2-CG1 3.69Å; F251-I280 HydrophobicContact CE2-CG2 3.93Å; F251-I280 HydrophobicContact CG-CD1 4.48Å; F251-I280 HydrophobicContact CZ-CG1 4.42Å; F251-I280 HydrophobicContact CZ-CG2 4.35Å; W267-I280 WeakPolarHBondContact CA-O 3.28Å; L268-I280 HydrophobicContact CB-CB 4.25Å; L268-I280 HydrophobicContact CD2-CD1 4.16Å; L268-I280 PolarHBondContact N-O 3.41Å; L268-I280 PolarHBondContact O-N 2.97Å; T270-I280 HydrophobicContact CG2-CD1 3.85Å; I280-D286 WeakPolarHBondContact CA-O 3.44Å
281	D	95.6	Very high	94.7	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.107	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.5	168.6	-170.1	-24	0	0	0	108.5	R283 M285 D286 I288	D281-R283 PolarHBondContact O-N 2.97Å; D281-R283 WeakPolarHBondContact OD1-CB 3.42Å; D281-R283 IonicContact OD1-CZ 3.97Å; D281-R283 PolarHBondContact OD1-N 2.89Å; D281-R283 IonicContact OD1-NE 3.13Å; D281-R283 PolarHBondContact OD1-NE 3.26Å; D281-R283 VanDerWaalsContact OD1-NE 3.13Å; D281-R283 IonicContact OD1-NH2 3.88Å; D281-R283 IonicContact OD2-CZ 2.95Å; D281-R283 IonicContact OD2-NE 2.92Å; D281-R283 PolarHBondContact OD2-NE 2.88Å; D281-R283 IonicContact OD2-NH2 3.78Å; D281-R283 PolarHBondContact OD2-NH2 2.71Å; D281-M285 VanDerWaalsContact O-CA 3.25Å; D281-M285 WeakPolarHBondContact O-CA 3.41Å; D281-M285 PolarHBondContact O-N 3.42Å; D281-D286 PolarHBondContact N-O 2.82Å; D281-D286 VanDerWaalsContact N-O 3.13Å; D281-I288 HydrophobicContact CB-CD1 3.76Å; D281-I288 HydrophobicContact CB-CG1 3.96Å
282	I	93.8	Very high	94.6	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.051	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.9	-179	-59	157.4	0	0	0	111.4	L223 F261 G265 N266 L268 M285	L223-I282 HydrophobicContact CD1-CG2 4.19Å; F261-I282 HydrophobicContact CD1-CD1 3.51Å; F261-I282 HydrophobicContact CD1-CG1 4.38Å; F261-I282 HydrophobicContact CE1-CD1 3.26Å; F261-I282 HydrophobicContact CE1-CG1 3.84Å; F261-I282 HydrophobicContact CZ-CD1 4.4Å; G265-I282 WeakPolarHBondContact O-CD1 3.27Å; N266-I282 WeakPolarHBondContact O-CD1 3.49Å; N266-I282 WeakPolarHBondContact O-CG1 3.3Å; N266-I282 PolarHBondContact O-N 3.12Å; L268-I282 HydrophobicContact CB-CG1 4.09Å; I282-M285 HydrophobicContact CG2-CE 4.06Å; I282-M285 WeakPolarHBondContact O-CE 3.5Å
283	R	93.1	Very high	94.3	Very high	171 Å²	171	49 Å²	49	65%	0.645	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-44.7	-176.5	-60.7	171.2	-63.1	170.6	7.3	112.2	D281	D281-R283 PolarHBondContact O-N 2.97Å; D281-R283 WeakPolarHBondContact OD1-CB 3.42Å; D281-R283 IonicContact OD1-CZ 3.97Å; D281-R283 PolarHBondContact OD1-N 2.89Å; D281-R283 IonicContact OD1-NE 3.13Å; D281-R283 PolarHBondContact OD1-NE 3.26Å; D281-R283 VanDerWaalsContact OD1-NE 3.13Å; D281-R283 IonicContact OD1-NH2 3.88Å; D281-R283 IonicContact OD2-CZ 2.95Å; D281-R283 IonicContact OD2-NE 2.92Å; D281-R283 PolarHBondContact OD2-NE 2.88Å; D281-R283 IonicContact OD2-NH2 3.78Å; D281-R283 PolarHBondContact OD2-NH2 2.71Å
284	S	92.6	Very high	94.3	Very high	56 Å²	56	46.6 Å²	46.6	39%	0.392	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-26.6	174.6	58.2	0	0	0	0	111.8	D286	S284-D286 PolarHBondContact O-N 3.29Å; S284-D286 PolarHBondContact OG-N 3.25Å
285	M	91.5	Very high	94.2	Very high	24 Å²	24	51.9 Å²	51.9	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	29.2	-167.5	-57.1	-70.5	-174.4	0	0	112.4	L237 L249 F251 D281 I282	L237-M285 HydrophobicContact CD1-CE 3.24Å; L237-M285 HydrophobicContact CD1-SD 3.33Å; L237-M285 WeakPolarHBondContact CD1-SD 3.33Å; L249-M285 HydrophobicContact CD2-CB 4.17Å; L249-M285 HydrophobicContact CD2-SD 4.4Å; F251-M285 WeakPolarHBondContact CZ-O 3.41Å; D281-M285 VanDerWaalsContact O-CA 3.25Å; D281-M285 WeakPolarHBondContact O-CA 3.41Å; D281-M285 PolarHBondContact O-N 3.42Å; I282-M285 HydrophobicContact CG2-CE 4.06Å; I282-M285 WeakPolarHBondContact O-CE 3.5Å
286	D	93.5	Very high	94.2	Very high	99 Å²	99	53.8 Å²	53.8	53%	0.529	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	152	176.7	-65.9	-38.4	0	0	0	110.3	I280 D281 S284 I288	I280-D286 WeakPolarHBondContact CA-O 3.44Å; D281-D286 PolarHBondContact N-O 2.82Å; D281-D286 VanDerWaalsContact N-O 3.13Å; S284-D286 PolarHBondContact O-N 3.29Å; S284-D286 PolarHBondContact OG-N 3.25Å; D286-I288 PolarHBondContact O-N 2.87Å
287	E	94.1	Very high	94.1	Very high	63 Å²	63	54.3 Å²	54.3	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124	171.1	177.2	171.4	-166.6	0	0	110	F251 K278 T290	F251-E287 HydrophobicContact CD1-CB 4.16Å; F251-E287 HydrophobicContact CE1-CB 3.98Å; K278-E287 WeakPolarHBondContact CD-OE1 3.47Å; K278-E287 WeakPolarHBondContact CG-OE1 3.49Å; K278-E287 IonicContact NZ-OE1 3.12Å; K278-E287 PolarHBondContact NZ-OE1 2.86Å; K278-E287 IonicContact NZ-OE2 3.87Å; K278-E287 PolarHBondContact NZ-OE2 2.88Å; E287-T290 WeakPolarHBondContact OE1-CB 3.32Å; E287-T290 PolarHBondContact OE1-OG1 3.47Å
288	I	93.8	Very high	94.1	Very high	88 Å²	88	54.3 Å²	54.3	45%	0.451	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-48.2	173.3	-51.1	176.6	0	0	0	109.2	L279 D281 D286	L279-I288 HydrophobicContact CD2-CB 4.43Å; L279-I288 HydrophobicContact CD2-CD1 4.21Å; L279-I288 HydrophobicContact CG-CD1 4.25Å; L279-I288 PolarHBondContact O-N 3.38Å; D281-I288 HydrophobicContact CB-CD1 3.76Å; D281-I288 HydrophobicContact CB-CG1 3.96Å; D286-I288 PolarHBondContact O-N 2.87Å
289	F	93.9	Very high	94.2	Very high	42 Å²	42	54.3 Å²	54.3	18%	0.184	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.6	-167.7	-165.7	-92.8	0	0	0	112.3	K278 L279 F291 D328	K278-F289 WeakPolarHBondContact CA-O 3.28Å; L279-F289 HydrophobicContact CB-CB 4.18Å; L279-F289 PolarHBondContact N-O 2.93Å; L279-F289 PolarHBondContact O-N 3.05Å; F289-F291 AromaticContact CD1-CD1 3.46Å; F289-F291 HydrophobicContact CD1-CD1 3.46Å; F289-F291 VanDerWaalsContact CD1-CD1 3.46Å; F289-F291 AromaticContact CD1-CD2 3.89Å; F289-F291 HydrophobicContact CD1-CD2 3.89Å; F289-F291 AromaticContact CD1-CE1 3.3Å; F289-F291 HydrophobicContact CD1-CE1 3.3Å; F289-F291 AromaticContact CD1-CE2 3.78Å; F289-F291 HydrophobicContact CD1-CE2 3.78Å; F289-F291 AromaticContact CD1-CG 3.73Å; F289-F291 HydrophobicContact CD1-CG 3.73Å; F289-F291 AromaticContact CD1-CZ 3.47Å; F289-F291 HydrophobicContact CD1-CZ 3.47Å; F289-F291 VanDerWaalsContact CD1-CZ 3.47Å; F289-F291 HydrophobicContact CE1-CB 4.32Å; F289-F291 AromaticContact CE1-CD1 3.23Å; F289-F291 HydrophobicContact CE1-CD1 3.23Å; F289-F291 HydrophobicContact CE1-CD2 4.35Å; F289-F291 AromaticContact CE1-CE1 3.43Å; F289-F291 HydrophobicContact CE1-CE1 3.43Å; F289-F291 VanDerWaalsContact CE1-CE1 3.43Å; F289-F291 AromaticContact CE1-CG 3.72Å; F289-F291 HydrophobicContact CE1-CG 3.72Å; F289-F291 HydrophobicContact CE1-CZ 4.1Å; F289-F291 HydrophobicContact CG-CE1 4.38Å; F289-F291 HydrophobicContact CG-CZ 4.34Å; F289-F291 HydrophobicContact CZ-CD1 4.44Å; F289-D328 HydrophobicContact CE2-CB 4.12Å; F289-D328 VanDerWaalsContact CE2-OD1 3.22Å; F289-D328 WeakPolarHBondContact CE2-OD1 3.4Å; F289-D328 VanDerWaalsContact CZ-CA 3.46Å; F289-D328 HydrophobicContact CZ-CB 4.03Å; F289-D328 WeakPolarHBondContact CZ-OD1 3.28Å
290	T	94.9	Very high	94.1	Very high	39 Å²	39	54.3 Å²	54.3	24%	0.239	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.3	171.9	-43.4	0	0	0	0	109.7	L276 I277 K278 E287 K292	L276-T290 HydrophobicContact CB-CG2 4.25Å; L276-T290 HydrophobicContact CD1-CG2 4.13Å; L276-T290 HydrophobicContact CD2-CG2 4.07Å; L276-T290 HydrophobicContact CG-CG2 4.38Å; I277-T290 CarbonylContact O-C 3.49Å; K278-T290 HydrophobicContact CG-CG2 4.26Å; E287-T290 WeakPolarHBondContact OE1-CB 3.32Å; E287-T290 PolarHBondContact OE1-OG1 3.47Å; T290-K292 HydrophobicContact CG2-CG 4.35Å
291	F	95.3	Very high	94.2	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.7	172.5	-52.1	-85.5	0	0	0	110.6	I277 L279 F289 F311 W323	I277-F291 HydrophobicContact CB-CB 4.14Å; I277-F291 HydrophobicContact CB-CD2 4.08Å; I277-F291 HydrophobicContact CG2-CD2 3.98Å; I277-F291 PolarHBondContact N-O 3.15Å; I277-F291 PolarHBondContact O-N 3.5Å; L279-F291 HydrophobicContact CB-CE2 3.98Å; F289-F291 AromaticContact CD1-CD1 3.46Å; F289-F291 HydrophobicContact CD1-CD1 3.46Å; F289-F291 VanDerWaalsContact CD1-CD1 3.46Å; F289-F291 AromaticContact CD1-CD2 3.89Å; F289-F291 HydrophobicContact CD1-CD2 3.89Å; F289-F291 AromaticContact CD1-CE1 3.3Å; F289-F291 HydrophobicContact CD1-CE1 3.3Å; F289-F291 AromaticContact CD1-CE2 3.78Å; F289-F291 HydrophobicContact CD1-CE2 3.78Å; F289-F291 AromaticContact CD1-CG 3.73Å; F289-F291 HydrophobicContact CD1-CG 3.73Å; F289-F291 AromaticContact CD1-CZ 3.47Å; F289-F291 HydrophobicContact CD1-CZ 3.47Å; F289-F291 VanDerWaalsContact CD1-CZ 3.47Å; F289-F291 HydrophobicContact CE1-CB 4.32Å; F289-F291 AromaticContact CE1-CD1 3.23Å; F289-F291 HydrophobicContact CE1-CD1 3.23Å; F289-F291 HydrophobicContact CE1-CD2 4.35Å; F289-F291 AromaticContact CE1-CE1 3.43Å; F289-F291 HydrophobicContact CE1-CE1 3.43Å; F289-F291 VanDerWaalsContact CE1-CE1 3.43Å; F289-F291 AromaticContact CE1-CG 3.72Å; F289-F291 HydrophobicContact CE1-CG 3.72Å; F289-F291 HydrophobicContact CE1-CZ 4.1Å; F289-F291 HydrophobicContact CG-CE1 4.38Å; F289-F291 HydrophobicContact CG-CZ 4.34Å; F289-F291 HydrophobicContact CZ-CD1 4.44Å; F291-F311 HydrophobicContact CD1-CZ 4.18Å; F291-F311 HydrophobicContact CD2-CE1 4.35Å; F291-F311 AromaticContact CD2-CZ 3.64Å; F291-F311 HydrophobicContact CD2-CZ 3.64Å; F291-F311 HydrophobicContact CE1-CE1 4.1Å; F291-F311 HydrophobicContact CE1-CZ 4.04Å; F291-F311 AromaticContact CE2-CE1 3.68Å; F291-F311 HydrophobicContact CE2-CE1 3.68Å; F291-F311 AromaticContact CE2-CZ 3.42Å; F291-F311 HydrophobicContact CE2-CZ 3.42Å; F291-F311 VanDerWaalsContact CE2-CZ 3.42Å; F291-F311 HydrophobicContact CG-CZ 4.02Å; F291-F311 AromaticContact CZ-CE1 3.56Å; F291-F311 HydrophobicContact CZ-CE1 3.56Å; F291-F311 AromaticContact CZ-CZ 3.67Å; F291-F311 HydrophobicContact CZ-CZ 3.67Å; F291-W323 HydrophobicContact CB-CD2 4.1Å; F291-W323 HydrophobicContact CB-CE3 3.9Å; F291-W323 HydrophobicContact CB-CH2 4.01Å; F291-W323 HydrophobicContact CB-CZ2 4.16Å; F291-W323 HydrophobicContact CB-CZ3 3.85Å; F291-W323 HydrophobicContact CD1-CB 4.41Å; F291-W323 AromaticContact CD1-CD2 3.91Å; F291-W323 HydrophobicContact CD1-CD2 3.91Å; F291-W323 AromaticContact CD1-CE3 3.43Å; F291-W323 HydrophobicContact CD1-CE3 3.43Å; F291-W323 VanDerWaalsContact CD1-CE3 3.43Å; F291-W323 HydrophobicContact CD1-CG 4.35Å; F291-W323 HydrophobicContact CD1-CZ3 4.01Å; F291-W323 HydrophobicContact CE1-CB 4.41Å; F291-W323 HydrophobicContact CE1-CE3 4.33Å; F291-W323 HydrophobicContact CG-CD2 4.19Å; F291-W323 HydrophobicContact CG-CE3 4.01Å; F291-W323 HydrophobicContact CG-CZ3 4.4Å
292	K	94.2	Very high	94.2	Very high	156 Å²	156	54.6 Å²	54.6	68%	0.678	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	119.8	178.9	-64.8	176.2	-174.7	170	0	108.5	L276 T290	L276-K292 HydrophobicContact CD2-CG 3.69Å; T290-K292 HydrophobicContact CG2-CG 4.35Å
293	G	90.4	Very high	94.3	Very high	28 Å²	28	55.4 Å²	55.4	29%	0.289	28%	0.275	S	S	.	.			trans	-173.1	-33.9	178.4	0	0	0	0	0	112.6	M295	G293-M295 PolarHBondContact O-N 3.36Å
294	H	93.5	Very high	94.4	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.056	25%	0.246	C	C	.	.			trans	-63.6	133.1	176.6	-78.8	-73.6	0	0	0	112.9	H275 K296 V298 S313 S319	H275-H294 HydrophobicContact CB-CB 4.41Å; H275-H294 WeakPolarHBondContact CB-O 3.37Å; H294-K296 WeakPolarHBondContact CB-O 3.45Å; H294-V298 HydrophobicContact CB-CG2 4.11Å; H294-S313 WeakPolarHBondContact NE2-CB 3.4Å; H294-S313 PolarHBondContact NE2-OG 2.78Å; H294-S319 PolarHBondContact ND1-OG 3.43Å
295	M	92.9	Very high	94.4	Very high	148 Å²	148	48 Å²	48	73%	0.729	25%	0.248	S	C	*	.	S	Bend	trans	-85.5	-21.9	177.3	-64.9	-65.8	-78	0	0	112.6	H275 G293	H275-M295 PolarHBondContact CE1-O 2.86Å; H275-M295 PolarHBondContact ND1-O 2.92Å; G293-M295 PolarHBondContact O-N 3.36Å
296	K	94.9	Very high	94.3	Very high	110 Å²	110	50 Å²	50	48%	0.478	26%	0.258	S	S	.	.	S	Bend	trans	-130.3	-176.8	176.9	-63.3	-164.8	-168	164.3	0	111.2	H275 H294 V298 A316 D317	H275-K296 PolarHBondContact CD2-O 2.82Å; H294-K296 WeakPolarHBondContact CB-O 3.45Å; K296-V298 PolarHBondContact O-N 2.81Å; K296-A316 HydrophobicContact CB-CB 4.14Å; K296-D317 HydrophobicContact CB-CB 4.32Å; K296-D317 HydrophobicContact CD-CB 3.74Å; K296-D317 HydrophobicContact CG-CB 3.98Å
297	D	95.1	Very high	94.1	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	24%	0.237	S	C	.	.			trans	-48.4	134.9	176.5	-57.6	14.8	0	0	0	112.1	R273 H275 A316	R273-D297 HydrophobicContact CB-CB 4.24Å; R273-D297 WeakPolarHBondContact CB-OD2 3.14Å; R273-D297 WeakPolarHBondContact CD-OD2 3.47Å; R273-D297 HydrophobicContact CG-CB 4.19Å; R273-D297 WeakPolarHBondContact CG-OD2 3.49Å; H275-D297 PolarHBondContact CD2-N 3.46Å; H275-D297 VanDerWaalsContact CD2-N 3.3Å; H275-D297 IonicContact CD2-OD1 2.71Å; H275-D297 IonicContact NE2-OD1 3.22Å; D297-A316 HydrophobicContact CB-CB 4.01Å; D297-A316 WeakPolarHBondContact O-CB 3.28Å; D297-A316 PolarHBondContact O-N 3.33Å
298	V	96.4	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.1	169.6	-175.1	0	0	0	0	107.7	T257 S272 I277 H294 K296 V301	T257-V298 WeakPolarHBondContact CB-O 3.48Å; T257-V298 WeakPolarHBondContact CG2-O 3.49Å; T257-V298 PolarHBondContact OG1-O 2.83Å; S272-V298 PolarHBondContact O-N 3.5Å; S272-V298 VanDerWaalsContact O-N 3.12Å; I277-V298 HydrophobicContact CD1-CG1 4Å; I277-V298 HydrophobicContact CD1-CG2 4.32Å; I277-V298 HydrophobicContact CG1-CB 4.43Å; I277-V298 HydrophobicContact CG1-CG1 3.98Å; I277-V298 HydrophobicContact CG1-CG2 3.84Å; H294-V298 HydrophobicContact CB-CG2 4.11Å; K296-V298 PolarHBondContact O-N 2.81Å; V298-V301 HydrophobicContact CG1-CG2 4Å
299	T	95.9	Very high	93.9	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-32	-174.9	45.6	0	0	0	0	113.3	T258 G314 A316 I342 W343	T258-T299 VanDerWaalsContact CG2-O 3.23Å; T258-T299 WeakPolarHBondContact CG2-O 3.49Å; T299-G314 PolarHBondContact N-O 3.29Å; T299-G314 PolarHBondContact OG1-O 2.92Å; T299-A316 HydrophobicContact CG2-CB 3.89Å; T299-I342 VanDerWaalsContact CB-O 3.28Å; T299-I342 WeakPolarHBondContact CB-O 3.27Å; T299-I342 PolarHBondContact OG1-O 2.95Å; T299-W343 HydrophobicContact CG2-CZ3 4.24Å
300	S	95.7	Very high	93.8	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.9	-178.7	46.1	0	0	0	0	111.1	S313 G314 I342	S300-S313 CarbonylContact O-C 3.5Å; S300-S313 WeakPolarHBondContact O-CA 3.15Å; S300-G314 PolarHBondContact N-O 3.16Å; S300-G314 PolarHBondContact O-N 3.31Å; S300-G314 WeakPolarHBondContact OG-CA 3.43Å; S300-I342 PolarHBondContact OG-O 3.33Å
301	V	96.5	Very high	93.8	Very high	18 Å²	18	40.7 Å²	40.7	11%	0.109	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.1	169	-179.9	0	0	0	0	108.4	L269 I277 V298 F311 V312	L269-V301 HydrophobicContact CD1-CG1 3.84Å; L269-V301 HydrophobicContact CD2-CB 3.85Å; L269-V301 HydrophobicContact CD2-CG1 3.4Å; L269-V301 HydrophobicContact CD2-CG2 3.74Å; L269-V301 HydrophobicContact CG-CG1 4.25Å; I277-V301 HydrophobicContact CD1-CG2 4.31Å; V298-V301 HydrophobicContact CG1-CG2 4Å; V301-F311 HydrophobicContact CG1-CD2 3.87Å; V301-V312 CarbonylContact C-O 3.59Å; V301-V312 VanDerWaalsContact CA-O 3.32Å; V301-V312 WeakPolarHBondContact CA-O 3.29Å; V301-V312 WeakPolarHBondContact CG1-O 3.18Å
302	A	96.2	Very high	93.8	Very high	9 Å²	9	40.7 Å²	40.7	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	122.6	173.1	0	0	0	0	0	110.8	F311 V312 L345 W347	A302-F311 WeakPolarHBondContact O-CA 3.39Å; A302-F311 WeakPolarHBondContact O-CB 3.06Å; A302-V312 PolarHBondContact N-O 3.02Å; A302-V312 PolarHBondContact O-N 3.45Å; A302-L345 HydrophobicContact CB-CB 3.83Å; A302-W347 PolarHBondContact O-NE1 3.37Å
303	W	96	Very high	94	Very high	26 Å²	26	33.2 Å²	33.2	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144	168.2	-73.9	109.1	0	0	0	111.2	D260 N262 W267 L269 L279 E308 F311 T325 W347	D260-W303 VanDerWaalsContact CG-CD1 3.45Å; D260-W303 PolarHBondContact O-NE1 2.8Å; N262-W303 HydrophobicContact CB-CD2 4.39Å; N262-W303 HydrophobicContact CB-CH2 4.48Å; N262-W303 HydrophobicContact CB-CZ2 3.99Å; N262-W303 WeakPolarHBondContact ND2-CZ3 3.08Å; W267-W303 HydrophobicContact CE3-CH2 4.12Å; L269-W303 HydrophobicContact CB-CZ2 3.72Å; L269-W303 HydrophobicContact CD1-CH2 4.11Å; L269-W303 HydrophobicContact CD1-CZ2 3.67Å; L269-W303 HydrophobicContact CG-CZ2 4.34Å; L279-W303 HydrophobicContact CD1-CH2 3.8Å; L279-W303 HydrophobicContact CD1-CZ2 3.97Å; W303-E308 VanDerWaalsContact CZ3-O 3.23Å; W303-E308 WeakPolarHBondContact CZ3-O 3.28Å; W303-F311 HydrophobicContact CD2-CB 4.07Å; W303-F311 HydrophobicContact CE3-CB 3.71Å; W303-F311 HydrophobicContact CE3-CD1 4.19Å; W303-F311 HydrophobicContact CE3-CG 4.35Å; W303-F311 HydrophobicContact CH2-CD1 4.04Å; W303-F311 HydrophobicContact CZ3-CB 4.13Å; W303-F311 AromaticContact CZ3-CD1 3.71Å; W303-F311 HydrophobicContact CZ3-CD1 3.71Å; W303-F311 HydrophobicContact CZ3-CG 4.31Å; W303-T325 HydrophobicContact CH2-CG2 3.7Å; W303-T325 HydrophobicContact CZ3-CG2 3.8Å; W303-W347 PolarHBondContact O-NE1 2.91Å
304	H	94.5	Very high	94.2	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.028	16%	0.161	C	C	.	.			trans	-72.6	136.5	171.7	179.7	-90	0	0	0	110.1	C70 I306 Q307 V310 W347 G351	C70-H304 PolarHBondContact SG-CE1 3.24Å; C70-H304 PolarHBondContact SG-NE2 2.97Å; H304-I306 VanDerWaalsContact C-N 3.34Å; H304-I306 PolarHBondContact ND1-N 2.88Å; H304-I306 PolarHBondContact O-N 2.76Å; H304-Q307 PolarHBondContact CE1-N 3.06Å; H304-Q307 WeakPolarHBondContact ND1-CB 3.39Å; H304-Q307 PolarHBondContact ND1-N 2.96Å; H304-V310 HydrophobicContact CB-CB 4.19Å; H304-V310 HydrophobicContact CB-CG1 4.37Å; H304-V310 VanDerWaalsContact CB-O 3.27Å; H304-V310 WeakPolarHBondContact CB-O 3.38Å; H304-V310 PolarHBondContact N-O 2.71Å; H304-W347 HydrophobicContact CB-CZ2 4.3Å; H304-W347 AromaticContact CD2-CD2 3.99Å; H304-W347 AromaticContact CD2-CE3 3.9Å; H304-W347 AromaticContact CD2-CH2 3.82Å; H304-W347 AromaticContact CD2-CZ2 3.92Å; H304-W347 AromaticContact CD2-CZ3 3.84Å; H304-G351 WeakPolarHBondContact NE2-CA 3.31Å; H304-G351 PolarHBondContact NE2-O 2.65Å
305	P	92.4	Very high	94.3	Very high	66 Å²	66	31.3 Å²	31.3	43%	0.429	16%	0.158	S	C	.	.	S	Bend	trans	-72.9	-21.9	-167.2	25.9	-35.9	0	0	0	114.7	W347	P305-W347 HydrophobicContact CG-CB 3.97Å
306	I	90.6	Very high	94.5	Very high	66 Å²	66	25.7 Å²	25.7	34%	0.338	14%	0.135	S	C	.	.	S	Bend	trans	-108.2	-59	-176.7	-60.1	156.9	0	0	0	110.3	V61 H304 E308 L350	V61-I306 HydrophobicContact CG2-CD1 3.65Å; V61-I306 HydrophobicContact CG2-CG1 4.35Å; V61-I306 HydrophobicContact CG2-CG2 4.22Å; H304-I306 VanDerWaalsContact C-N 3.34Å; H304-I306 PolarHBondContact ND1-N 2.88Å; H304-I306 PolarHBondContact O-N 2.76Å; I306-E308 PolarHBondContact O-N 2.9Å; I306-L350 VanDerWaalsContact CD1-C 3.49Å; I306-L350 VanDerWaalsContact CD1-O 3.26Å; I306-L350 WeakPolarHBondContact CD1-O 3.39Å
307	Q	89.6	Confident	94.4	Very high	18 Å²	18	22.4 Å²	22.4	8%	0.084	12%	0.123	C	C	.	.			trans	-74.4	112	173.9	-61.7	-169.4	-6.1	0	0	112	I60 T66 C70 H304 K309 V310	I60-Q307 HydrophobicContact CG2-CG 4.22Å; T66-Q307 PolarHBondContact O-NE2 3.11Å; C70-Q307 PolarHBondContact SG-NE2 3.41Å; C70-Q307 VanDerWaalsContact SG-NE2 3.39Å; C70-Q307 PolarHBondContact SG-OE1 2.81Å; H304-Q307 PolarHBondContact CE1-N 3.06Å; H304-Q307 WeakPolarHBondContact ND1-CB 3.39Å; H304-Q307 PolarHBondContact ND1-N 2.96Å; Q307-K309 VanDerWaalsContact C-N 3.25Å; Q307-K309 PolarHBondContact O-N 2.84Å; Q307-V310 HydrophobicContact CB-CB 4.43Å; Q307-V310 HydrophobicContact CB-CG2 4.39Å; Q307-V310 VanDerWaalsContact OE1-CG2 3.28Å
308	E	91.1	Very high	94.4	Very high	88 Å²	88	19.9 Å²	19.9	41%	0.411	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.3	-178.6	69.2	174.4	170.3	0	0	114.3	N262 N264 W303 I306	N262-E308 PolarHBondContact ND2-O 3.06Å; N264-E308 PolarHBondContact ND2-OE2 2.81Å; N264-E308 VanDerWaalsContact ND2-OE2 3.14Å; W303-E308 VanDerWaalsContact CZ3-O 3.23Å; W303-E308 WeakPolarHBondContact CZ3-O 3.28Å; I306-E308 PolarHBondContact O-N 2.9Å
309	K	91.4	Very high	94.4	Very high	30 Å²	30	20.2 Å²	20.2	13%	0.13	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.9	-171.9	-55.6	179.5	-173.5	166.1	0	112.5	E65 Q307 D324 T325 L326	E65-K309 IonicContact OE1-NZ 4Å; E65-K309 PolarHBondContact OE1-NZ 2.8Å; E65-K309 IonicContact OE2-NZ 3.64Å; Q307-K309 VanDerWaalsContact C-N 3.25Å; Q307-K309 PolarHBondContact O-N 2.84Å; K309-D324 WeakPolarHBondContact CB-OD1 3.44Å; K309-D324 CarbonylContact O-C 3.53Å; K309-D324 WeakPolarHBondContact O-CA 3.21Å; K309-T325 WeakPolarHBondContact CA-OG1 3.38Å; K309-T325 WeakPolarHBondContact CB-OG1 3.44Å; K309-T325 WeakPolarHBondContact O-CG2 3.38Å; K309-T325 PolarHBondContact O-N 2.78Å; K309-T325 PolarHBondContact O-OG1 2.83Å; K309-L326 HydrophobicContact CD-CD1 3.66Å; K309-L326 HydrophobicContact CD-CG 4.01Å
310	V	93	Very high	94.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.4	-174	179.1	0	0	0	0	110.5	C70 H304 Q307 W323	C70-V310 HydrophobicContact CB-CG1 4.07Å; H304-V310 HydrophobicContact CB-CB 4.19Å; H304-V310 HydrophobicContact CB-CG1 4.37Å; H304-V310 VanDerWaalsContact CB-O 3.27Å; H304-V310 WeakPolarHBondContact CB-O 3.38Å; H304-V310 PolarHBondContact N-O 2.71Å; Q307-V310 HydrophobicContact CB-CB 4.43Å; Q307-V310 HydrophobicContact CB-CG2 4.39Å; Q307-V310 VanDerWaalsContact OE1-CG2 3.28Å; V310-W323 WeakPolarHBondContact CA-O 3.41Å
311	F	95.2	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.1	170.5	66.6	-87.4	0	0	0	110.6	L269 I277 F291 V301 A302 W303 W323 T325	L269-F311 HydrophobicContact CD1-CB 4.37Å; L269-F311 HydrophobicContact CD1-CD1 3.79Å; L269-F311 HydrophobicContact CD1-CD2 3.53Å; L269-F311 HydrophobicContact CD1-CE1 3.86Å; L269-F311 HydrophobicContact CD1-CE2 3.6Å; L269-F311 HydrophobicContact CD1-CG 3.62Å; L269-F311 HydrophobicContact CD1-CZ 3.77Å; I277-F311 HydrophobicContact CD1-CE2 4.17Å; I277-F311 HydrophobicContact CG2-CE2 4.16Å; I277-F311 HydrophobicContact CG2-CZ 4.37Å; F291-F311 HydrophobicContact CD1-CZ 4.18Å; F291-F311 HydrophobicContact CD2-CE1 4.35Å; F291-F311 AromaticContact CD2-CZ 3.64Å; F291-F311 HydrophobicContact CD2-CZ 3.64Å; F291-F311 HydrophobicContact CE1-CE1 4.1Å; F291-F311 HydrophobicContact CE1-CZ 4.04Å; F291-F311 AromaticContact CE2-CE1 3.68Å; F291-F311 HydrophobicContact CE2-CE1 3.68Å; F291-F311 AromaticContact CE2-CZ 3.42Å; F291-F311 HydrophobicContact CE2-CZ 3.42Å; F291-F311 VanDerWaalsContact CE2-CZ 3.42Å; F291-F311 HydrophobicContact CG-CZ 4.02Å; F291-F311 AromaticContact CZ-CE1 3.56Å; F291-F311 HydrophobicContact CZ-CE1 3.56Å; F291-F311 AromaticContact CZ-CZ 3.67Å; F291-F311 HydrophobicContact CZ-CZ 3.67Å; V301-F311 HydrophobicContact CG1-CD2 3.87Å; A302-F311 WeakPolarHBondContact O-CA 3.39Å; A302-F311 WeakPolarHBondContact O-CB 3.06Å; W303-F311 HydrophobicContact CD2-CB 4.07Å; W303-F311 HydrophobicContact CE3-CB 3.71Å; W303-F311 HydrophobicContact CE3-CD1 4.19Å; W303-F311 HydrophobicContact CE3-CG 4.35Å; W303-F311 HydrophobicContact CH2-CD1 4.04Å; W303-F311 HydrophobicContact CZ3-CB 4.13Å; W303-F311 AromaticContact CZ3-CD1 3.71Å; W303-F311 HydrophobicContact CZ3-CD1 3.71Å; W303-F311 HydrophobicContact CZ3-CG 4.31Å; F311-W323 HydrophobicContact CD1-CB 3.93Å; F311-W323 HydrophobicContact CD2-CB 4.05Å; F311-W323 AromaticContact CD2-CD1 3.76Å; F311-W323 HydrophobicContact CD2-CG 4.21Å; F311-W323 HydrophobicContact CE1-CB 3.41Å; F311-W323 VanDerWaalsContact CE1-CB 3.41Å; F311-W323 HydrophobicContact CE1-CG 4.18Å; F311-W323 HydrophobicContact CE2-CB 3.55Å; F311-W323 AromaticContact CE2-CD1 3.15Å; F311-W323 HydrophobicContact CE2-CD2 4.5Å; F311-W323 AromaticContact CE2-CG 3.46Å; F311-W323 HydrophobicContact CE2-CG 3.46Å; F311-W323 VanDerWaalsContact CE2-CG 3.46Å; F311-W323 AromaticContact CE2-NE1 3.99Å; F311-W323 HydrophobicContact CG-CB 4.22Å; F311-W323 HydrophobicContact CZ-CB 3.19Å; F311-W323 AromaticContact CZ-CD1 3.66Å; F311-W323 HydrophobicContact CZ-CD2 4.34Å; F311-W323 AromaticContact CZ-CG 3.44Å; F311-W323 HydrophobicContact CZ-CG 3.44Å; F311-W323 VanDerWaalsContact CZ-CG 3.44Å; F311-W323 PolarHBondContact N-O 3.18Å; F311-W323 VanDerWaalsContact N-O 3.16Å; F311-W323 PolarHBondContact O-N 2.91Å; F311-T325 HydrophobicContact CD1-CG2 4.35Å; F311-T325 HydrophobicContact CE1-CG2 4.22Å
312	V	95.5	Very high	94.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.4	177	178.2	0	0	0	0	109.5	V301 A302 L320 I321 Y322 L345 W347 L354	V301-V312 CarbonylContact C-O 3.59Å; V301-V312 VanDerWaalsContact CA-O 3.32Å; V301-V312 WeakPolarHBondContact CA-O 3.29Å; V301-V312 WeakPolarHBondContact CG1-O 3.18Å; A302-V312 PolarHBondContact N-O 3.02Å; A302-V312 PolarHBondContact O-N 3.45Å; V312-L320 HydrophobicContact CG1-CD2 4.14Å; V312-I321 WeakPolarHBondContact CA-O 3.4Å; V312-Y322 HydrophobicContact CG2-CD1 3.28Å; V312-Y322 HydrophobicContact CG2-CD2 4.37Å; V312-Y322 HydrophobicContact CG2-CE1 3.17Å; V312-Y322 HydrophobicContact CG2-CE2 4.29Å; V312-Y322 HydrophobicContact CG2-CG 3.88Å; V312-L345 HydrophobicContact CB-CD1 4.48Å; V312-L345 HydrophobicContact CG1-CD1 3.91Å; V312-W347 HydrophobicContact CB-CZ2 4.32Å; V312-W347 HydrophobicContact CG2-CH2 4.16Å; V312-W347 HydrophobicContact CG2-CZ2 3.38Å; V312-L354 HydrophobicContact CB-CD2 4.34Å; V312-L354 HydrophobicContact CG1-CD2 3.78Å; V312-L354 HydrophobicContact CG2-CD2 4.28Å
313	S	96.6	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.6	177.4	58.3	0	0	0	0	111	H294 S300 L320 I321 W323	H294-S313 WeakPolarHBondContact NE2-CB 3.4Å; H294-S313 PolarHBondContact NE2-OG 2.78Å; S300-S313 CarbonylContact O-C 3.5Å; S300-S313 WeakPolarHBondContact O-CA 3.15Å; S313-L320 WeakPolarHBondContact O-CA 3.26Å; S313-I321 PolarHBondContact N-O 3.03Å; S313-I321 PolarHBondContact O-N 3.22Å; S313-I321 PolarHBondContact OG-O 3.27Å; S313-W323 PolarHBondContact OG-NE1 2.64Å
314	G	96.2	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.8	175.9	0	0	0	0	0	111.3	T299 S300 S319	T299-G314 PolarHBondContact N-O 3.29Å; T299-G314 PolarHBondContact OG1-O 2.92Å; S300-G314 PolarHBondContact N-O 3.16Å; S300-G314 PolarHBondContact O-N 3.31Å; S300-G314 WeakPolarHBondContact OG-CA 3.43Å; G314-S319 WeakPolarHBondContact CA-O 3.38Å
315	G	95.8	Very high	93.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	158.7	177	0	0	0	0	0	113.3	D317 G318 S319 I342	G315-D317 PolarHBondContact O-N 3.28Å; G315-G318 PolarHBondContact O-N 3.12Å; G315-G318 VanDerWaalsContact O-N 3.12Å; G315-S319 PolarHBondContact N-O 2.73Å; G315-I342 PolarHBondContact O-N 2.99Å
316	A	95.6	Very high	93.5	Very high	29 Å²	29	20.5 Å²	20.5	24%	0.24	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.8	172.1	0	0	0	0	0	113.5	K296 D297 T299 G318 A341	K296-A316 HydrophobicContact CB-CB 4.14Å; D297-A316 HydrophobicContact CB-CB 4.01Å; D297-A316 WeakPolarHBondContact O-CB 3.28Å; D297-A316 PolarHBondContact O-N 3.33Å; T299-A316 HydrophobicContact CG2-CB 3.89Å; A316-G318 VanDerWaalsContact C-N 3.34Å; A316-A341 HydrophobicContact CB-CB 4.29Å; A316-A341 WeakPolarHBondContact O-CA 3.23Å; A316-A341 PolarHBondContact O-N 3.25Å
317	D	94.3	Very high	93.2	Very high	42 Å²	42	19.4 Å²	19.4	23%	0.225	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.6	171.8	53	4.8	0	0	0	114	K296 G315 S319	K296-D317 HydrophobicContact CB-CB 4.32Å; K296-D317 HydrophobicContact CD-CB 3.74Å; K296-D317 HydrophobicContact CG-CB 3.98Å; G315-D317 PolarHBondContact O-N 3.28Å; D317-S319 VanDerWaalsContact OD1-CB 3.3Å; D317-S319 WeakPolarHBondContact OD1-CB 3.16Å; D317-S319 PolarHBondContact OD1-N 2.93Å; D317-S319 PolarHBondContact OD1-OG 2.66Å
318	G	94	Very high	93	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	86.1	12.9	-174.4	0	0	0	0	0	113.9	G315 A316 A337 H338 Q340	G315-G318 PolarHBondContact O-N 3.12Å; G315-G318 VanDerWaalsContact O-N 3.12Å; A316-G318 VanDerWaalsContact C-N 3.34Å; G318-A337 WeakPolarHBondContact O-CB 3.09Å; G318-A337 PolarHBondContact O-N 3.08Å; G318-H338 PolarHBondContact O-N 3.22Å; G318-Q340 VanDerWaalsContact CA-O 3.28Å; G318-Q340 WeakPolarHBondContact CA-O 3.29Å
319	S	95.7	Very high	92.8	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.042	14%	0.142	C	C	.	.			trans	-77.9	143.2	171.5	61.8	0	0	0	0	111.7	H294 G314 G315 D317 I342	H294-S319 PolarHBondContact ND1-OG 3.43Å; G314-S319 WeakPolarHBondContact CA-O 3.38Å; G315-S319 PolarHBondContact N-O 2.73Å; D317-S319 VanDerWaalsContact OD1-CB 3.3Å; D317-S319 WeakPolarHBondContact OD1-CB 3.16Å; D317-S319 PolarHBondContact OD1-N 2.93Å; D317-S319 PolarHBondContact OD1-OG 2.66Å; S319-I342 WeakPolarHBondContact O-CD1 3.34Å
320	L	95.6	Very high	92.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.5	167.5	-73.2	173.8	0	0	0	109.1	V312 S313 I334 A337 I342 L345	V312-L320 HydrophobicContact CG1-CD2 4.14Å; S313-L320 WeakPolarHBondContact O-CA 3.26Å; L320-I334 HydrophobicContact CB-CB 4.3Å; L320-I334 PolarHBondContact N-O 3.29Å; L320-I334 PolarHBondContact O-N 2.78Å; L320-A337 HydrophobicContact CB-CB 4.07Å; L320-A337 HydrophobicContact CD1-CB 3.62Å; L320-A337 HydrophobicContact CG-CB 3.7Å; L320-I342 HydrophobicContact CD1-CD1 4.41Å; L320-I342 HydrophobicContact CD2-CD1 3.39Å; L320-I342 HydrophobicContact CD2-CG2 4.49Å; L320-I342 HydrophobicContact CG-CD1 3.56Å; L320-L345 HydrophobicContact CD2-CD1 4.14Å; L320-L345 HydrophobicContact CD2-CD2 3.68Å
321	I	95.2	Very high	92.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.1	178.5	-47.1	-176	0	0	0	109.8	V312 S313 W323 E330 L333	V312-I321 WeakPolarHBondContact CA-O 3.4Å; S313-I321 PolarHBondContact N-O 3.03Å; S313-I321 PolarHBondContact O-N 3.22Å; S313-I321 PolarHBondContact OG-O 3.27Å; I321-W323 HydrophobicContact CB-CZ2 4Å; I321-W323 HydrophobicContact CD1-CZ2 3.99Å; I321-W323 HydrophobicContact CG2-CD2 4.01Å; I321-W323 HydrophobicContact CG2-CH2 4.03Å; I321-W323 HydrophobicContact CG2-CZ2 3.41Å; I321-W323 VanDerWaalsContact CG2-CZ2 3.41Å; I321-E330 HydrophobicContact CG2-CB 3.45Å; I321-E330 VanDerWaalsContact CG2-CB 3.45Å; I321-E330 HydrophobicContact CG2-CG 4.28Å; I321-E330 WeakPolarHBondContact CG2-OE2 3.29Å; I321-L333 HydrophobicContact CD1-CD1 3.86Å; I321-L333 HydrophobicContact CG1-CD1 3.58Å
322	Y	94.7	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.4	173.6	-70.8	-102.5	0	0	0	109.6	V71 M72 V312 L331 T332 I334 W347 L354	V71-Y322 HydrophobicContact CB-CD1 4.39Å; V71-Y322 HydrophobicContact CG1-CD1 4.1Å; V71-Y322 HydrophobicContact CG1-CD2 4.08Å; V71-Y322 HydrophobicContact CG1-CE1 4.49Å; V71-Y322 HydrophobicContact CG1-CE2 4.48Å; V71-Y322 HydrophobicContact CG1-CG 3.91Å; V71-Y322 HydrophobicContact CG2-CD1 4.48Å; M72-Y322 HydrophobicContact CB-CE1 4.43Å; M72-Y322 VanDerWaalsContact CB-OH 3.29Å; M72-Y322 WeakPolarHBondContact CB-OH 3.39Å; M72-Y322 PolarHBondContact O-OH 3.06Å; M72-Y322 VanDerWaalsContact O-OH 3.09Å; V312-Y322 HydrophobicContact CG2-CD1 3.28Å; V312-Y322 HydrophobicContact CG2-CD2 4.37Å; V312-Y322 HydrophobicContact CG2-CE1 3.17Å; V312-Y322 HydrophobicContact CG2-CE2 4.29Å; V312-Y322 HydrophobicContact CG2-CG 3.88Å; Y322-L331 PolarHBondContact O-N 2.75Å; Y322-T332 VanDerWaalsContact CD2-OG1 3.27Å; Y322-T332 WeakPolarHBondContact CD2-OG1 3.28Å; Y322-T332 PolarHBondContact N-O 3.11Å; Y322-I334 HydrophobicContact CE2-CD1 3.94Å; Y322-W347 AromaticContact CE1-CH2 3.81Å; Y322-W347 HydrophobicContact CE1-CH2 3.81Å; Y322-W347 HydrophobicContact CE1-CZ2 4.14Å; Y322-L354 WeakPolarHBondContact OH-CD2 3.46Å
323	W	94.3	Very high	92.2	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.6	-177.2	-58.8	98	0	0	0	110.8	F291 V310 F311 S313 I321 E330	F291-W323 HydrophobicContact CB-CD2 4.1Å; F291-W323 HydrophobicContact CB-CE3 3.9Å; F291-W323 HydrophobicContact CB-CH2 4.01Å; F291-W323 HydrophobicContact CB-CZ2 4.16Å; F291-W323 HydrophobicContact CB-CZ3 3.85Å; F291-W323 HydrophobicContact CD1-CB 4.41Å; F291-W323 AromaticContact CD1-CD2 3.91Å; F291-W323 HydrophobicContact CD1-CD2 3.91Å; F291-W323 AromaticContact CD1-CE3 3.43Å; F291-W323 HydrophobicContact CD1-CE3 3.43Å; F291-W323 VanDerWaalsContact CD1-CE3 3.43Å; F291-W323 HydrophobicContact CD1-CG 4.35Å; F291-W323 HydrophobicContact CD1-CZ3 4.01Å; F291-W323 HydrophobicContact CE1-CB 4.41Å; F291-W323 HydrophobicContact CE1-CE3 4.33Å; F291-W323 HydrophobicContact CG-CD2 4.19Å; F291-W323 HydrophobicContact CG-CE3 4.01Å; F291-W323 HydrophobicContact CG-CZ3 4.4Å; V310-W323 WeakPolarHBondContact CA-O 3.41Å; F311-W323 HydrophobicContact CD1-CB 3.93Å; F311-W323 HydrophobicContact CD2-CB 4.05Å; F311-W323 AromaticContact CD2-CD1 3.76Å; F311-W323 HydrophobicContact CD2-CG 4.21Å; F311-W323 HydrophobicContact CE1-CB 3.41Å; F311-W323 VanDerWaalsContact CE1-CB 3.41Å; F311-W323 HydrophobicContact CE1-CG 4.18Å; F311-W323 HydrophobicContact CE2-CB 3.55Å; F311-W323 AromaticContact CE2-CD1 3.15Å; F311-W323 HydrophobicContact CE2-CD2 4.5Å; F311-W323 AromaticContact CE2-CG 3.46Å; F311-W323 HydrophobicContact CE2-CG 3.46Å; F311-W323 VanDerWaalsContact CE2-CG 3.46Å; F311-W323 AromaticContact CE2-NE1 3.99Å; F311-W323 HydrophobicContact CG-CB 4.22Å; F311-W323 HydrophobicContact CZ-CB 3.19Å; F311-W323 AromaticContact CZ-CD1 3.66Å; F311-W323 HydrophobicContact CZ-CD2 4.34Å; F311-W323 AromaticContact CZ-CG 3.44Å; F311-W323 HydrophobicContact CZ-CG 3.44Å; F311-W323 VanDerWaalsContact CZ-CG 3.44Å; F311-W323 PolarHBondContact N-O 3.18Å; F311-W323 VanDerWaalsContact N-O 3.16Å; F311-W323 PolarHBondContact O-N 2.91Å; S313-W323 PolarHBondContact OG-NE1 2.64Å; I321-W323 HydrophobicContact CB-CZ2 4Å; I321-W323 HydrophobicContact CD1-CZ2 3.99Å; I321-W323 HydrophobicContact CG2-CD2 4.01Å; I321-W323 HydrophobicContact CG2-CH2 4.03Å; I321-W323 HydrophobicContact CG2-CZ2 3.41Å; I321-W323 VanDerWaalsContact CG2-CZ2 3.41Å; W323-E330 HydrophobicContact CD2-CB 4.43Å; W323-E330 HydrophobicContact CE3-CB 3.88Å; W323-E330 HydrophobicContact CH2-CB 3.86Å; W323-E330 HydrophobicContact CZ2-CB 4.43Å; W323-E330 HydrophobicContact CZ3-CB 3.57Å
324	D	92.5	Very high	92	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.6	166.3	-173.2	-10.6	0	0	0	107.7	S67 K309 L326 S327 L331	S67-D324 WeakPolarHBondContact CB-OD2 3.48Å; S67-D324 VanDerWaalsContact OG-CG 3.28Å; S67-D324 PolarHBondContact OG-OD2 2.89Å; K309-D324 WeakPolarHBondContact CB-OD1 3.44Å; K309-D324 CarbonylContact O-C 3.53Å; K309-D324 WeakPolarHBondContact O-CA 3.21Å; D324-L326 PolarHBondContact O-N 3.49Å; D324-L326 VanDerWaalsContact O-N 3.16Å; D324-L326 PolarHBondContact OD1-N 2.84Å; D324-S327 PolarHBondContact O-N 3.06Å; D324-S327 VanDerWaalsContact O-N 3.13Å; D324-L331 HydrophobicContact CB-CD1 3.99Å; D324-L331 HydrophobicContact CB-CD2 4Å; D324-L331 HydrophobicContact CB-CG 4Å
325	T	90.1	Very high	91.6	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.092	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.3	-178.8	56.8	0	0	0	0	113.5	W267 L279 W303 K309 F311	W267-T325 HydrophobicContact CE3-CG2 4.11Å; W267-T325 HydrophobicContact CZ3-CG2 3.93Å; W267-T325 WeakPolarHBondContact CZ3-OG1 3.3Å; L279-T325 HydrophobicContact CD1-CG2 4.32Å; L279-T325 HydrophobicContact CD2-CG2 3.88Å; W303-T325 HydrophobicContact CH2-CG2 3.7Å; W303-T325 HydrophobicContact CZ3-CG2 3.8Å; K309-T325 WeakPolarHBondContact CA-OG1 3.38Å; K309-T325 WeakPolarHBondContact CB-OG1 3.44Å; K309-T325 WeakPolarHBondContact O-CG2 3.38Å; K309-T325 PolarHBondContact O-N 2.78Å; K309-T325 PolarHBondContact O-OG1 2.83Å; F311-T325 HydrophobicContact CD1-CG2 4.35Å; F311-T325 HydrophobicContact CE1-CG2 4.22Å
326	L	86.6	Confident	91.1	Very high	122 Å²	122	47.7 Å²	47.7	64%	0.639	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16	177.2	-61.8	-178.8	0	0	0	113.9	K309 D324	K309-L326 HydrophobicContact CD-CD1 3.66Å; K309-L326 HydrophobicContact CD-CG 4.01Å; D324-L326 PolarHBondContact O-N 3.49Å; D324-L326 VanDerWaalsContact O-N 3.16Å; D324-L326 PolarHBondContact OD1-N 2.84Å
327	S	85.3	Confident	90.8	Very high	43 Å²	43	46.9 Å²	46.9	30%	0.301	26%	0.259	S	S	.	.			trans	-105.6	135.4	-172.9	-63.9	0	0	0	0	111.2	D324 H329	D324-S327 PolarHBondContact O-N 3.06Å; D324-S327 VanDerWaalsContact O-N 3.13Å; S327-H329 PolarHBondContact O-N 2.96Å
328	D	83.7	Confident	90.8	Very high	107 Å²	107	45 Å²	45	57%	0.572	25%	0.249	S	C	*	.	S	Bend	trans	-74.3	-20.8	176.6	-173.7	44.5	0	0	0	112.4	F289	F289-D328 HydrophobicContact CE2-CB 4.12Å; F289-D328 VanDerWaalsContact CE2-OD1 3.22Å; F289-D328 WeakPolarHBondContact CE2-OD1 3.4Å; F289-D328 VanDerWaalsContact CZ-CA 3.46Å; F289-D328 HydrophobicContact CZ-CB 4.03Å; F289-D328 WeakPolarHBondContact CZ-OD1 3.28Å
329	H	87.1	Confident	90.7	Very high	144 Å²	144	52.8 Å²	52.8	67%	0.667	29%	0.285	S	S	*	.	S	Bend	trans	-105	150	179.2	-58.5	-46.4	0	0	0	110.9	S327	S327-H329 PolarHBondContact O-N 2.96Å
330	E	90	Very high	90.7	Very high	63 Å²	63	56.3 Å²	56.3	29%	0.294	30%	0.301	S	S	.	.			trans	-57.1	141	167.5	56.9	-162.4	-157.7	0	0	110.7	I321 W323 L333	I321-E330 HydrophobicContact CG2-CB 3.45Å; I321-E330 VanDerWaalsContact CG2-CB 3.45Å; I321-E330 HydrophobicContact CG2-CG 4.28Å; I321-E330 WeakPolarHBondContact CG2-OE2 3.29Å; W323-E330 HydrophobicContact CD2-CB 4.43Å; W323-E330 HydrophobicContact CE3-CB 3.88Å; W323-E330 HydrophobicContact CH2-CB 3.86Å; W323-E330 HydrophobicContact CZ2-CB 4.43Å; W323-E330 HydrophobicContact CZ3-CB 3.57Å; E330-L333 WeakPolarHBondContact OE1-CB 3.27Å
331	L	88.6	Confident	90.7	Very high	58 Å²	58	56.9 Å²	56.9	30%	0.304	31%	0.306	S	S	.	.	S	Bend	trans	-67.8	-49.8	174.8	-68.6	176.4	0	0	0	109.7	V71 Y322 D324	V71-L331 HydrophobicContact CG2-CB 4.35Å; V71-L331 HydrophobicContact CG2-CD1 4.1Å; Y322-L331 PolarHBondContact O-N 2.75Å; D324-L331 HydrophobicContact CB-CD1 3.99Å; D324-L331 HydrophobicContact CB-CD2 4Å; D324-L331 HydrophobicContact CB-CG 4Å
332	T	91.2	Very high	90.8	Very high	42 Å²	42	56.9 Å²	56.9	26%	0.258	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	141.9	177.2	62.2	0	0	0	0	111.2	V71 T73 Y322	V71-T332 HydrophobicContact CG1-CG2 3.54Å; V71-T332 WeakPolarHBondContact CG1-OG1 3.49Å; T73-T332 HydrophobicContact CG2-CG2 4.36Å; Y322-T332 VanDerWaalsContact CD2-OG1 3.27Å; Y322-T332 WeakPolarHBondContact CD2-OG1 3.28Å; Y322-T332 PolarHBondContact N-O 3.11Å
333	L	92.4	Very high	90.8	Very high	62 Å²	62	61.1 Å²	61.1	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.6	170	167.2	66	0	0	0	109.2	I321 E330 E335	I321-L333 HydrophobicContact CD1-CD1 3.86Å; I321-L333 HydrophobicContact CG1-CD1 3.58Å; E330-L333 WeakPolarHBondContact OE1-CB 3.27Å; L333-E335 HydrophobicContact CD1-CG 4.11Å; L333-E335 HydrophobicContact CD2-CG 3.64Å; L333-E335 WeakPolarHBondContact CD2-OE1 3.42Å; L333-E335 HydrophobicContact CG-CG 3.68Å
334	I	92.2	Very high	90.9	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.185	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	90.7	170.7	-51.7	175.6	0	0	0	107.2	T73 L320 Y322 A337	T73-I334 HydrophobicContact CG2-CD1 4.43Å; L320-I334 HydrophobicContact CB-CB 4.3Å; L320-I334 PolarHBondContact N-O 3.29Å; L320-I334 PolarHBondContact O-N 2.78Å; Y322-I334 HydrophobicContact CE2-CD1 3.94Å; I334-A337 HydrophobicContact CB-CB 4.25Å; I334-A337 HydrophobicContact CG2-CB 3.77Å
335	E	89	Confident	91.1	Very high	157 Å²	157	61.6 Å²	61.6	73%	0.734	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	131.6	171.4	-60.1	-169.9	164.6	0	0	109.7	L333	L333-E335 HydrophobicContact CD1-CG 4.11Å; L333-E335 HydrophobicContact CD2-CG 3.64Å; L333-E335 WeakPolarHBondContact CD2-OE1 3.42Å; L333-E335 HydrophobicContact CG-CG 3.68Å
336	G	86	Confident	91.4	Very high	61 Å²	61	63.1 Å²	63.1	63%	0.629	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	24.9	179.8	0	0	0	0	0	114.6	H338	G336-H338 PolarHBondContact O-N 3.2Å
337	A	88.8	Confident	91.8	Very high	12 Å²	12	57.7 Å²	57.7	10%	0.099	30%	0.304	C	S	.	.	S	Bend	trans	-55.2	-40	170.5	0	0	0	0	0	111	G318 L320 I334 K364	G318-A337 WeakPolarHBondContact O-CB 3.09Å; G318-A337 PolarHBondContact O-N 3.08Å; L320-A337 HydrophobicContact CB-CB 4.07Å; L320-A337 HydrophobicContact CD1-CB 3.62Å; L320-A337 HydrophobicContact CG-CB 3.7Å; I334-A337 HydrophobicContact CB-CB 4.25Å; I334-A337 HydrophobicContact CG2-CB 3.77Å; A337-K364 VanDerWaalsContact O-CD 3.28Å; A337-K364 WeakPolarHBondContact O-CD 3.37Å; A337-K364 WeakPolarHBondContact O-CE 3.21Å; A337-K364 PolarHBondContact O-NZ 3.27Å
338	H	92.7	Very high	92.3	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.019	29%	0.293	C	S	.	.	S	Bend	trans	-128.5	160.7	169	-78.1	-89.7	0	0	0	111.6	G318 G336 Q340 I342 S356 S358 D360	G318-H338 PolarHBondContact O-N 3.22Å; G336-H338 PolarHBondContact O-N 3.2Å; H338-Q340 VanDerWaalsContact C-N 3.31Å; H338-Q340 WeakPolarHBondContact CB-O 3.41Å; H338-I342 HydrophobicContact CB-CD1 4.43Å; H338-I342 HydrophobicContact CB-CG1 4.15Å; H338-S356 WeakPolarHBondContact NE2-CB 3.26Å; H338-S356 PolarHBondContact NE2-OG 3.2Å; H338-S358 VanDerWaalsContact CG-CB 3.49Å; H338-S358 WeakPolarHBondContact ND1-CB 3.32Å; H338-D360 IonicContact CG-OD2 3.68Å; H338-D360 IonicContact ND1-OD1 3.5Å; H338-D360 IonicContact ND1-OD2 2.92Å; H338-D360 PolarHBondContact ND1-OD2 2.59Å
339	E	93.3	Very high	92.7	Very high	162 Å²	162	53.6 Å²	53.6	76%	0.757	28%	0.281	S	S	*	.	S	Bend	trans	-79.9	-18.2	175.8	-64.9	-179.3	-178.5	0	0	112.3	D360	E339-D360 HydrophobicContact CB-CB 4.17Å; E339-D360 PolarHBondContact N-OD2 3Å
340	Q	94.9	Very high	92.8	Very high	80 Å²	80	50 Å²	50	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	-142.9	176.9	-177.4	-56.7	-172.5	23.1	0	0	111.5	G318 H338 S358 N359 D360	G318-Q340 VanDerWaalsContact CA-O 3.28Å; G318-Q340 WeakPolarHBondContact CA-O 3.29Å; H338-Q340 VanDerWaalsContact C-N 3.31Å; H338-Q340 WeakPolarHBondContact CB-O 3.41Å; Q340-S358 PolarHBondContact O-OG 3.47Å; Q340-N359 HydrophobicContact CB-CB 3.89Å; Q340-N359 PolarHBondContact OE1-ND2 2.63Å; Q340-N359 PolarHBondContact OE1-O 3.04Å; Q340-D360 HydrophobicContact CB-CB 4.16Å; Q340-D360 HydrophobicContact CG-CB 4.07Å
341	A	95.8	Very high	92.9	Very high	13 Å²	13	47 Å²	47	11%	0.107	25%	0.252	C	S	.	.			trans	-48.1	137.3	-178.2	0	0	0	0	0	114.3	A316 W343 S358 N359	A316-A341 HydrophobicContact CB-CB 4.29Å; A316-A341 WeakPolarHBondContact O-CA 3.23Å; A316-A341 PolarHBondContact O-N 3.25Å; A341-W343 HydrophobicContact CB-CZ2 4.43Å; A341-S358 VanDerWaalsContact O-CA 3.29Å; A341-S358 WeakPolarHBondContact O-CA 3.46Å; A341-S358 PolarHBondContact O-OG 3.4Å; A341-N359 HydrophobicContact CB-CB 4.48Å; A341-N359 PolarHBondContact O-N 3.16Å
342	I	96.9	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.2	179.9	-53.9	179.7	0	0	0	108.8	T299 S300 G315 S319 L320 H338 L345 G357	T299-I342 VanDerWaalsContact CB-O 3.28Å; T299-I342 WeakPolarHBondContact CB-O 3.27Å; T299-I342 PolarHBondContact OG1-O 2.95Å; S300-I342 PolarHBondContact OG-O 3.33Å; G315-I342 PolarHBondContact O-N 2.99Å; S319-I342 WeakPolarHBondContact O-CD1 3.34Å; L320-I342 HydrophobicContact CD1-CD1 4.41Å; L320-I342 HydrophobicContact CD2-CD1 3.39Å; L320-I342 HydrophobicContact CD2-CG2 4.49Å; L320-I342 HydrophobicContact CG-CD1 3.56Å; H338-I342 HydrophobicContact CB-CD1 4.43Å; H338-I342 HydrophobicContact CB-CG1 4.15Å; I342-L345 HydrophobicContact CG2-CD2 3.88Å; I342-L345 HydrophobicContact CG2-CG 4.07Å; I342-G357 CarbonylContact C-O 3.59Å
343	W	96.3	Very high	92.9	Very high	89 Å²	89	42.6 Å²	42.6	34%	0.337	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-35.8	-174.7	-68.2	119.5	0	0	0	113.2	F88 T299 A341 G357 N359	F88-W343 AromaticContact CD1-CD1 3.7Å; F88-W343 HydrophobicContact CD1-CD2 4.34Å; F88-W343 HydrophobicContact CD1-CG 4.02Å; F88-W343 AromaticContact CD1-NE1 3.79Å; F88-W343 AromaticContact CE1-NE1 3.8Å; F88-W343 VanDerWaalsContact O-CB 3.28Å; F88-W343 WeakPolarHBondContact O-CB 3.25Å; T299-W343 HydrophobicContact CG2-CZ3 4.24Å; A341-W343 HydrophobicContact CB-CZ2 4.43Å; W343-G357 PolarHBondContact N-O 3.31Å; W343-N359 PolarHBondContact NE1-OD1 3.2Å
344	A	95.7	Very high	93	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.5	-177.5	0	0	0	0	0	112.1	D89 L90 G357	D89-A344 WeakPolarHBondContact OD1-CB 3.29Å; L90-A344 HydrophobicContact CD2-CB 3.84Å; L90-A344 WeakPolarHBondContact CD2-O 3.46Å; L90-A344 HydrophobicContact CG-CB 3.93Å; A344-G357 PolarHBondContact N-O 3.26Å; A344-G357 PolarHBondContact O-N 3.21Å
345	L	96.6	Very high	93.2	Very high	17 Å²	17	38 Å²	38	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.6	178	-70.7	173.2	0	0	0	107	A302 V312 L320 I342 L354 A355	A302-L345 HydrophobicContact CB-CB 3.83Å; V312-L345 HydrophobicContact CB-CD1 4.48Å; V312-L345 HydrophobicContact CG1-CD1 3.91Å; L320-L345 HydrophobicContact CD2-CD1 4.14Å; L320-L345 HydrophobicContact CD2-CD2 3.68Å; I342-L345 HydrophobicContact CG2-CD2 3.88Å; I342-L345 HydrophobicContact CG2-CG 4.07Å; L345-L354 HydrophobicContact CB-CD1 4.46Å; L345-L354 HydrophobicContact CD2-CD1 4.35Å; L345-L354 HydrophobicContact CD2-CD2 4.23Å; L345-L354 HydrophobicContact CD2-CG 4.43Å; L345-A355 WeakPolarHBondContact CA-O 3.5Å
346	D	96.5	Very high	93.6	Very high	47 Å²	47	30.5 Å²	30.5	25%	0.251	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.6	173.5	-166.2	19.9	0	0	0	110.8	L90 C91 W92 A355	L90-D346 HydrophobicContact CD1-CB 3.41Å; L90-D346 VanDerWaalsContact CD1-CB 3.41Å; L90-D346 HydrophobicContact CG-CB 4.42Å; C91-D346 VanDerWaalsContact CA-OD2 3.27Å; C91-D346 WeakPolarHBondContact CA-OD2 3.24Å; W92-D346 PolarHBondContact N-OD2 2.84Å; W92-D346 PolarHBondContact NE1-O 2.87Å; D346-A355 PolarHBondContact N-O 3.05Å; D346-A355 PolarHBondContact O-N 3.24Å
347	W	95.4	Very high	94	Very high	9 Å²	9	27.6 Å²	27.6	3%	0.034	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.4	179.7	-74	100.2	0	0	0	110	C70 M72 W92 A302 W303 H304 P305 V312 Y322 G351 L354	C70-W347 WeakPolarHBondContact O-CH2 3.48Å; M72-W347 HydrophobicContact CE-CH2 4.43Å; M72-W347 HydrophobicContact CE-CZ3 3.8Å; M72-W347 HydrophobicContact CG-CH2 3.96Å; M72-W347 HydrophobicContact CG-CZ3 3.61Å; W92-W347 VanDerWaalsContact CD1-O 3.23Å; A302-W347 PolarHBondContact O-NE1 3.37Å; W303-W347 PolarHBondContact O-NE1 2.91Å; H304-W347 HydrophobicContact CB-CZ2 4.3Å; H304-W347 AromaticContact CD2-CD2 3.99Å; H304-W347 AromaticContact CD2-CE3 3.9Å; H304-W347 AromaticContact CD2-CH2 3.82Å; H304-W347 AromaticContact CD2-CZ2 3.92Å; H304-W347 AromaticContact CD2-CZ3 3.84Å; P305-W347 HydrophobicContact CG-CB 3.97Å; V312-W347 HydrophobicContact CB-CZ2 4.32Å; V312-W347 HydrophobicContact CG2-CH2 4.16Å; V312-W347 HydrophobicContact CG2-CZ2 3.38Å; Y322-W347 AromaticContact CE1-CH2 3.81Å; Y322-W347 HydrophobicContact CE1-CH2 3.81Å; Y322-W347 HydrophobicContact CE1-CZ2 4.14Å; W347-G351 VanDerWaalsContact CZ3-O 3.31Å; W347-G351 WeakPolarHBondContact CZ3-O 3.28Å; W347-L354 HydrophobicContact CD2-CB 4.47Å; W347-L354 HydrophobicContact CD2-CD1 3.77Å; W347-L354 HydrophobicContact CE3-CB 4.03Å; W347-L354 HydrophobicContact CE3-CD1 4.2Å; W347-L354 HydrophobicContact CG-CD1 4.13Å; W347-L354 HydrophobicContact CH2-CB 4.37Å; W347-L354 HydrophobicContact CZ2-CD1 4.27Å; W347-L354 HydrophobicContact CZ3-CB 3.96Å
348	H	94.6	Very high	94.4	Very high	15 Å²	15	27 Å²	27	7%	0.069	13%	0.134	C	C	.	.			trans	-57.8	142.2	164.3	-178.1	-75.1	0	0	0	108.8	W92 G96 L350 G351 H352 I353	W92-H348 HydrophobicContact CD2-CB 4.31Å; W92-H348 AromaticContact CE3-CD2 3.77Å; W92-H348 AromaticContact CH2-CD2 3.99Å; W92-H348 HydrophobicContact CZ2-CB 4.3Å; W92-H348 AromaticContact CZ3-CD2 3.63Å; G96-H348 VanDerWaalsContact CA-NE2 3.26Å; G96-H348 WeakPolarHBondContact CA-NE2 3.31Å; G96-H348 PolarHBondContact O-NE2 2.9Å; H348-L350 PolarHBondContact ND1-N 3.24Å; H348-L350 PolarHBondContact O-N 2.88Å; H348-G351 WeakPolarHBondContact O-CA 3.13Å; H348-G351 PolarHBondContact O-N 2.82Å; H348-H352 AromaticContact CD2-CE1 3.76Å; H348-H352 AromaticContact CE1-CE1 3.5Å; H348-H352 AromaticContact CG-CE1 3.42Å; H348-H352 VanDerWaalsContact CG-CE1 3.42Å; H348-H352 AromaticContact CG-ND1 3.84Å; H348-H352 AromaticContact ND1-CE1 3.23Å; H348-H352 PolarHBondContact ND1-CE1 2.91Å; H348-H352 AromaticContact ND1-ND1 3.45Å; H348-H352 PolarHBondContact ND1-ND1 2.76Å; H348-H352 AromaticContact NE2-CE1 3.79Å; H348-I353 HydrophobicContact CB-CB 3.96Å; H348-I353 PolarHBondContact N-O 2.94Å
349	P	92.9	Very high	94.5	Very high	49 Å²	49	29.3 Å²	29.3	32%	0.318	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.7	-176.1	-30.4	34.3	0	0	0	115.2	P94 G351	P94-P349 WeakPolarHBondContact O-CG 3.3Å; P349-G351 VanDerWaalsContact C-N 3.29Å; P349-G351 PolarHBondContact O-N 2.92Å
350	L	90	Very high	94.5	Very high	67 Å²	67	22 Å²	22	35%	0.351	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	0.1	173.9	-61	175.2	0	0	0	115.3	V23 I27 I306 H348 H352	V23-L350 HydrophobicContact CB-CD1 4.31Å; V23-L350 HydrophobicContact CG1-CD1 3.92Å; V23-L350 HydrophobicContact CG2-CD1 4.34Å; I27-L350 HydrophobicContact CD1-CD1 4.12Å; I306-L350 VanDerWaalsContact CD1-C 3.49Å; I306-L350 VanDerWaalsContact CD1-O 3.26Å; I306-L350 WeakPolarHBondContact CD1-O 3.39Å; H348-L350 PolarHBondContact ND1-N 3.24Å; H348-L350 PolarHBondContact O-N 2.88Å; L350-H352 PolarHBondContact O-N 2.98Å; L350-H352 VanDerWaalsContact O-N 3.14Å
351	G	90.1	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	74.2	-6.6	177.1	0	0	0	0	0	116.7	I60 M72 H304 W347 H348 P349	I60-G351 VanDerWaalsContact CD1-C 3.46Å; I60-G351 WeakPolarHBondContact CD1-O 3.4Å; M72-G351 WeakPolarHBondContact CE-O 3.19Å; H304-G351 WeakPolarHBondContact NE2-CA 3.31Å; H304-G351 PolarHBondContact NE2-O 2.65Å; W347-G351 VanDerWaalsContact CZ3-O 3.31Å; W347-G351 WeakPolarHBondContact CZ3-O 3.28Å; H348-G351 WeakPolarHBondContact O-CA 3.13Å; H348-G351 PolarHBondContact O-N 2.82Å; P349-G351 VanDerWaalsContact C-N 3.29Å; P349-G351 PolarHBondContact O-N 2.92Å
352	H	88.9	Confident	94.4	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	11%	0.106	C	C	.	.	S	Bend	trans	-85.1	-8.8	-170.3	73.4	-66.6	0	0	0	115.9	V23 I60 M72 H348 L350	V23-H352 VanDerWaalsContact CG2-CD2 3.48Å; V23-H352 WeakPolarHBondContact CG2-CD2 3.37Å; V23-H352 WeakPolarHBondContact CG2-CE1 3.09Å; V23-H352 WeakPolarHBondContact CG2-NE2 3.39Å; I60-H352 HydrophobicContact CD1-CB 4.21Å; M72-H352 VanDerWaalsContact CE-C 3.49Å; M72-H352 WeakPolarHBondContact CE-O 3.4Å; M72-H352 VanDerWaalsContact SD-O 3.4Å; H348-H352 AromaticContact CD2-CE1 3.76Å; H348-H352 AromaticContact CE1-CE1 3.5Å; H348-H352 AromaticContact CG-CE1 3.42Å; H348-H352 VanDerWaalsContact CG-CE1 3.42Å; H348-H352 AromaticContact CG-ND1 3.84Å; H348-H352 AromaticContact ND1-CE1 3.23Å; H348-H352 PolarHBondContact ND1-CE1 2.91Å; H348-H352 AromaticContact ND1-ND1 3.45Å; H348-H352 PolarHBondContact ND1-ND1 2.76Å; H348-H352 AromaticContact NE2-CE1 3.79Å; L350-H352 PolarHBondContact O-N 2.98Å; L350-H352 VanDerWaalsContact O-N 3.14Å
353	I	92.7	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.3	177.2	-65.6	167.7	0	0	0	108.3	V21 I76 W92 F116 H348 A365 D366	V21-I353 HydrophobicContact CB-CD1 4.05Å; V21-I353 HydrophobicContact CG1-CD1 3.98Å; V21-I353 HydrophobicContact CG1-CG1 4.32Å; I76-I353 HydrophobicContact CD1-CD1 4.25Å; I76-I353 HydrophobicContact CD1-CG1 4.07Å; I76-I353 HydrophobicContact CD1-CG2 4.13Å; W92-I353 HydrophobicContact CH2-CG2 4.47Å; W92-I353 HydrophobicContact CZ2-CG2 3.88Å; F116-I353 HydrophobicContact CE2-CD1 4.14Å; F116-I353 HydrophobicContact CZ-CD1 3.94Å; F116-I353 HydrophobicContact CZ-CG2 3.94Å; H348-I353 HydrophobicContact CB-CB 3.96Å; H348-I353 PolarHBondContact N-O 2.94Å; I353-A365 HydrophobicContact CG2-CB 4.27Å; I353-D366 VanDerWaalsContact CA-O 3.31Å; I353-D366 WeakPolarHBondContact CA-O 3.33Å
354	L	94.8	Very high	94.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.7	166.1	179.7	70.3	0	0	0	109.1	M72 V312 Y322 L345 W347 A365 D366	M72-L354 HydrophobicContact CB-CB 4.36Å; M72-L354 HydrophobicContact CG-CB 4.22Å; V312-L354 HydrophobicContact CB-CD2 4.34Å; V312-L354 HydrophobicContact CG1-CD2 3.78Å; V312-L354 HydrophobicContact CG2-CD2 4.28Å; Y322-L354 WeakPolarHBondContact OH-CD2 3.46Å; L345-L354 HydrophobicContact CB-CD1 4.46Å; L345-L354 HydrophobicContact CD2-CD1 4.35Å; L345-L354 HydrophobicContact CD2-CD2 4.23Å; L345-L354 HydrophobicContact CD2-CG 4.43Å; W347-L354 HydrophobicContact CD2-CB 4.47Å; W347-L354 HydrophobicContact CD2-CD1 3.77Å; W347-L354 HydrophobicContact CE3-CB 4.03Å; W347-L354 HydrophobicContact CE3-CD1 4.2Å; W347-L354 HydrophobicContact CG-CD1 4.13Å; W347-L354 HydrophobicContact CH2-CB 4.37Å; W347-L354 HydrophobicContact CZ2-CD1 4.27Å; W347-L354 HydrophobicContact CZ3-CB 3.96Å; L354-A365 WeakPolarHBondContact O-CA 3.45Å; L354-D366 PolarHBondContact N-O 3.43Å; L354-D366 PolarHBondContact O-N 3.11Å
355	A	95.7	Very high	94	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.2	169.4	0	0	0	0	0	110	L90 W92 L99 L345 D346 K364	L90-A355 HydrophobicContact CD1-CB 3.69Å; W92-A355 HydrophobicContact CZ2-CB 4.11Å; L99-A355 HydrophobicContact CD1-CB 3.86Å; L99-A355 HydrophobicContact CD2-CB 3.72Å; L99-A355 HydrophobicContact CG-CB 4.45Å; L345-A355 WeakPolarHBondContact CA-O 3.5Å; D346-A355 PolarHBondContact N-O 3.05Å; D346-A355 PolarHBondContact O-N 3.24Å; A355-K364 WeakPolarHBondContact CA-O 3.14Å
356	S	96.3	Very high	93.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.9	179.3	57.8	0	0	0	0	111.3	L90 H338 T363 K364	L90-S356 VanDerWaalsContact CD2-C 3.45Å; H338-S356 WeakPolarHBondContact NE2-CB 3.26Å; H338-S356 PolarHBondContact NE2-OG 3.2Å; S356-T363 CarbonylContact O-C 3.54Å; S356-T363 VanDerWaalsContact O-CA 3.25Å; S356-T363 WeakPolarHBondContact O-CA 3.26Å; S356-K364 PolarHBondContact N-O 2.8Å; S356-K364 PolarHBondContact O-N 3.42Å; S356-K364 PolarHBondContact OG-O 3.16Å
357	G	95.6	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.5	179.9	0	0	0	0	0	109.9	L90 I342 W343 A344	L90-G357 VanDerWaalsContact CD2-CA 3.47Å; I342-G357 CarbonylContact C-O 3.59Å; W343-G357 PolarHBondContact N-O 3.31Å; A344-G357 PolarHBondContact N-O 3.26Å; A344-G357 PolarHBondContact O-N 3.21Å
358	S	96.2	Very high	92.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	162.2	-171.9	173.9	0	0	0	0	112.9	I87 H338 Q340 A341 D360 N361 N362	I87-S358 PolarHBondContact N-O 3.28Å; I87-S358 VanDerWaalsContact N-O 3.16Å; H338-S358 VanDerWaalsContact CG-CB 3.49Å; H338-S358 WeakPolarHBondContact ND1-CB 3.32Å; Q340-S358 PolarHBondContact O-OG 3.47Å; A341-S358 VanDerWaalsContact O-CA 3.29Å; A341-S358 WeakPolarHBondContact O-CA 3.46Å; A341-S358 PolarHBondContact O-OG 3.4Å; S358-D360 WeakPolarHBondContact CB-OD1 3.29Å; S358-D360 PolarHBondContact O-N 3.29Å; S358-D360 PolarHBondContact OG-N 2.85Å; S358-D360 PolarHBondContact OG-OD1 3.33Å; S358-N361 PolarHBondContact O-N 2.98Å; S358-N362 PolarHBondContact N-O 3.48Å
359	N	95.6	Very high	91.2	Very high	51 Å²	51	19.5 Å²	19.5	27%	0.273	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-11.4	171.1	-154.2	58.2	0	0	0	113.3	P86 Q340 A341 W343 N361	P86-N359 WeakPolarHBondContact CB-OD1 3.41Å; Q340-N359 HydrophobicContact CB-CB 3.89Å; Q340-N359 PolarHBondContact OE1-ND2 2.63Å; Q340-N359 PolarHBondContact OE1-O 3.04Å; A341-N359 HydrophobicContact CB-CB 4.48Å; A341-N359 PolarHBondContact O-N 3.16Å; W343-N359 PolarHBondContact NE1-OD1 3.2Å; N359-N361 PolarHBondContact O-N 3.25Å
360	D	93.9	Very high	89.4	Confident	10 Å²	10	18.9 Å²	18.9	5%	0.053	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.8	174.1	70.6	1.8	0	0	0	113.7	H338 E339 Q340 S358 N362	H338-D360 IonicContact CG-OD2 3.68Å; H338-D360 IonicContact ND1-OD1 3.5Å; H338-D360 IonicContact ND1-OD2 2.92Å; H338-D360 PolarHBondContact ND1-OD2 2.59Å; E339-D360 HydrophobicContact CB-CB 4.17Å; E339-D360 PolarHBondContact N-OD2 3Å; Q340-D360 HydrophobicContact CB-CB 4.16Å; Q340-D360 HydrophobicContact CG-CB 4.07Å; S358-D360 WeakPolarHBondContact CB-OD1 3.29Å; S358-D360 PolarHBondContact O-N 3.29Å; S358-D360 PolarHBondContact OG-N 2.85Å; S358-D360 PolarHBondContact OG-OD1 3.33Å; D360-N362 VanDerWaalsContact C-N 3.27Å; D360-N362 VanDerWaalsContact CG-ND2 3.32Å; D360-N362 WeakPolarHBondContact OD1-CA 3.23Å; D360-N362 VanDerWaalsContact OD1-CB 3.23Å; D360-N362 WeakPolarHBondContact OD1-CB 3.48Å; D360-N362 PolarHBondContact OD1-N 2.87Å; D360-N362 PolarHBondContact OD1-ND2 2.9Å; D360-N362 PolarHBondContact OD2-ND2 2.98Å; D360-N362 VanDerWaalsContact OD2-ND2 3.16Å
361	N	93.7	Very high	87.5	Confident	38 Å²	38	17.2 Å²	17.2	20%	0.203	11%	0.108	C	C	.	.	S	Bend	trans	73.8	8.4	-176.7	-36.5	-67.3	0	0	0	115	K84 C85 P86 S358 N359	K84-N361 HydrophobicContact CB-CB 4.12Å; C85-N361 WeakPolarHBondContact O-CA 3.41Å; C85-N361 WeakPolarHBondContact O-CB 3.27Å; C85-N361 PolarHBondContact O-OD1 2.84Å; P86-N361 WeakPolarHBondContact CA-OD1 3.23Å; P86-N361 VanDerWaalsContact CD-OD1 3.27Å; P86-N361 WeakPolarHBondContact CD-OD1 3.23Å; S358-N361 PolarHBondContact O-N 2.98Å; N359-N361 PolarHBondContact O-N 3.25Å
362	N	94.2	Very high	85.3	Confident	29 Å²	29	17.9 Å²	17.9	16%	0.155	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.8	179.1	-55.4	-40.9	0	0	0	110.6	V80 S358 D360	V80-N362 WeakPolarHBondContact CG2-OD1 3.33Å; S358-N362 PolarHBondContact N-O 3.48Å; D360-N362 VanDerWaalsContact C-N 3.27Å; D360-N362 VanDerWaalsContact CG-ND2 3.32Å; D360-N362 WeakPolarHBondContact OD1-CA 3.23Å; D360-N362 VanDerWaalsContact OD1-CB 3.23Å; D360-N362 WeakPolarHBondContact OD1-CB 3.48Å; D360-N362 PolarHBondContact OD1-N 2.87Å; D360-N362 PolarHBondContact OD1-ND2 2.9Å; D360-N362 PolarHBondContact OD2-ND2 2.98Å; D360-N362 VanDerWaalsContact OD2-ND2 3.16Å
363	T	93.8	Very high	83	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.7	154.3	40	0	0	0	0	109.4	S78 A79 I87 T101 S356	S78-T363 CarbonylContact C-O 3.58Å; A79-T363 VanDerWaalsContact CB-OG1 3.28Å; A79-T363 WeakPolarHBondContact CB-OG1 3.05Å; A79-T363 PolarHBondContact N-O 3.47Å; A79-T363 PolarHBondContact O-N 2.89Å; A79-T363 PolarHBondContact O-OG1 3.05Å; I87-T363 HydrophobicContact CD1-CG2 3.28Å; I87-T363 HydrophobicContact CG1-CG2 4.48Å; I87-T363 HydrophobicContact CG2-CG2 4.11Å; T101-T363 HydrophobicContact CG2-CG2 3.42Å; T101-T363 VanDerWaalsContact CG2-CG2 3.42Å; S356-T363 CarbonylContact O-C 3.54Å; S356-T363 VanDerWaalsContact O-CA 3.25Å; S356-T363 WeakPolarHBondContact O-CA 3.26Å
364	K	93.8	Very high	80.4	Confident	34 Å²	34	22.2 Å²	22.2	15%	0.148	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.9	173.6	-66.9	-178	-174.8	-175.9	0	109.2	L75 A337 A355 S356	L75-K364 HydrophobicContact CD1-CB 3.82Å; L75-K364 HydrophobicContact CD1-CD 4.05Å; L75-K364 HydrophobicContact CD1-CG 4.02Å; A337-K364 VanDerWaalsContact O-CD 3.28Å; A337-K364 WeakPolarHBondContact O-CD 3.37Å; A337-K364 WeakPolarHBondContact O-CE 3.21Å; A337-K364 PolarHBondContact O-NZ 3.27Å; A355-K364 WeakPolarHBondContact CA-O 3.14Å; S356-K364 PolarHBondContact N-O 2.8Å; S356-K364 PolarHBondContact O-N 3.42Å; S356-K364 PolarHBondContact OG-O 3.16Å
365	A	92.4	Very high	77.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.3	174	0	0	0	0	0	108.5	I76 R77 F116 I353 L354	I76-A365 VanDerWaalsContact CB-O 3.27Å; I76-A365 WeakPolarHBondContact CB-O 3.49Å; I76-A365 HydrophobicContact CD1-CB 4.07Å; I76-A365 WeakPolarHBondContact CG1-O 3.28Å; I76-A365 PolarHBondContact N-O 3.46Å; R77-A365 PolarHBondContact N-O 3.13Å; R77-A365 PolarHBondContact O-N 2.97Å; F116-A365 HydrophobicContact CD1-CB 3.67Å; F116-A365 HydrophobicContact CD2-CB 4.19Å; F116-A365 HydrophobicContact CE1-CB 3.29Å; F116-A365 HydrophobicContact CE2-CB 3.87Å; F116-A365 HydrophobicContact CG-CB 4.11Å; F116-A365 HydrophobicContact CZ-CB 3.42Å; F116-A365 VanDerWaalsContact CZ-CB 3.42Å; I353-A365 HydrophobicContact CG2-CB 4.27Å; L354-A365 WeakPolarHBondContact O-CA 3.45Å
366	D	90.7	Very high	75.3	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.053	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.4	-176	-59.6	-38.6	0	0	0	109.8	M72 R74 L75 I353 L354	M72-D366 HydrophobicContact CB-CB 3.96Å; R74-D366 CarbonylContact O-C 3.56Å; R74-D366 WeakPolarHBondContact O-CA 3.23Å; L75-D366 VanDerWaalsContact CA-OD1 3.27Å; L75-D366 WeakPolarHBondContact CA-OD1 3.37Å; L75-D366 VanDerWaalsContact CD1-OD1 3.29Å; L75-D366 WeakPolarHBondContact CD1-OD1 3.34Å; I353-D366 VanDerWaalsContact CA-O 3.31Å; I353-D366 WeakPolarHBondContact CA-O 3.33Å; L354-D366 PolarHBondContact N-O 3.43Å; L354-D366 PolarHBondContact O-N 3.11Å
367	S	86.4	Confident	72.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	170.8	178.7	54.6	0	0	0	0	111.3	M72 T73 R74 I76 M372	M72-S367 CarbonylContact C-O 3.52Å; M72-S367 WeakPolarHBondContact CA-O 3.3Å; T73-S367 PolarHBondContact N-O 3.11Å; R74-S367 WeakPolarHBondContact CB-O 3.27Å; R74-S367 PolarHBondContact N-O 2.75Å; R74-S367 PolarHBondContact O-N 2.85Å; R74-S367 PolarHBondContact O-OG 2.97Å; I76-S367 VanDerWaalsContact CG1-OG 3.28Å; I76-S367 WeakPolarHBondContact CG1-OG 3.07Å; S367-M372 WeakPolarHBondContact OG-CE 3.05Å
368	S	81.7	Confident	70.2	Confident	15 Å²	15	38.7 Å²	38.7	11%	0.105	21%	0.213	C	C	.	.			trans	-72.6	150	172.6	65.1	0	0	0	0	109.9	M72 G370 N371	M72-S368 PolarHBondContact SD-N 3.17Å; S368-G370 PolarHBondContact O-N 3.28Å; S368-G370 VanDerWaalsContact O-N 3.14Å; S368-N371 PolarHBondContact OG-ND2 3.02Å
369	S	65.6	Low	67.6	Low	91 Å²	91	43.9 Å²	43.9	64%	0.636	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.3	-176.4	53.3	0	0	0	0	113.9
370	G	56.1	Low	65.3	Low	36 Å²	36	46.9 Å²	46.9	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.5	-173.4	0	0	0	0	0	116.8	S368	S368-G370 PolarHBondContact O-N 3.28Å; S368-G370 VanDerWaalsContact O-N 3.14Å
371	N	48.7	Very low	63.1	Low	33 Å²	33	48.4 Å²	48.4	18%	0.176	27%	0.265	C	S	.	.			trans	-102.6	14.5	-158.1	-87.2	-15.3	0	0	0	117.3	T57 S368	T57-N371 VanDerWaalsContact CB-OD1 3.25Å; T57-N371 WeakPolarHBondContact CB-OD1 3.18Å; T57-N371 WeakPolarHBondContact CG2-OD1 3.24Å; T57-N371 PolarHBondContact OG1-OD1 3Å; T57-N371 VanDerWaalsContact OG1-OD1 3.05Å; S368-N371 PolarHBondContact OG-ND2 3.02Å
372	M	45.3	Very low	61.4	Low	13 Å²	13	52 Å²	52	6%	0.064	28%	0.281	C	S	.	.			trans	-114.4	121.3	-177.8	-80.3	-164.8	-118.1	0	0	115.5	V21 R74 I76 S367 A374	V21-M372 HydrophobicContact CG2-CE 4.15Å; V21-M372 HydrophobicContact CG2-CG 4.18Å; V21-M372 HydrophobicContact CG2-SD 4.23Å; R74-M372 HydrophobicContact CG-CE 4.38Å; I76-M372 HydrophobicContact CB-CE 4.13Å; I76-M372 HydrophobicContact CG1-CE 3.6Å; I76-M372 HydrophobicContact CG2-CE 4.19Å; S367-M372 WeakPolarHBondContact OG-CE 3.05Å; M372-A374 VanDerWaalsContact C-N 3.26Å
373	N	40.1	Very low	59.5	Low	66 Å²	66	53.3 Å²	53.3	35%	0.353	29%	0.293	S	S	.	.	S	Bend	trans	-76.6	-6.9	165.8	-64.8	-28.1	0	0	0	113	R376	N373-R376 VanDerWaalsContact CG-NH1 3.26Å; N373-R376 WeakPolarHBondContact O-CB 3.34Å; N373-R376 VanDerWaalsContact O-CD 3.31Å; N373-R376 WeakPolarHBondContact O-CD 3.33Å; N373-R376 WeakPolarHBondContact O-CG 3.2Å; N373-R376 PolarHBondContact OD1-NH1 2.9Å; N373-R376 PolarHBondContact OD1-NH2 2.81Å
374	A	38.6	Very low	57.9	Low	34 Å²	34	57.6 Å²	57.6	28%	0.281	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.2	-166.2	0	0	0	0	0	115.5	K19 M372 R376	K19-A374 HydrophobicContact CG-CB 4.41Å; M372-A374 VanDerWaalsContact C-N 3.26Å; A374-R376 PolarHBondContact O-N 2.82Å
375	D	39.9	Very low	56.5	Low	28 Å²	28	62 Å²	62	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-18	173	-56.3	-43.3	0	0	0	111.9	R74 E377 M378 E379	R74-D375 IonicContact CZ-OD1 3.95Å; R74-D375 IonicContact CZ-OD2 3.12Å; R74-D375 IonicContact NH1-OD2 2.78Å; R74-D375 PolarHBondContact NH1-OD2 3.33Å; R74-D375 IonicContact NH2-OD1 2.83Å; R74-D375 PolarHBondContact NH2-OD1 3.28Å; R74-D375 IonicContact NH2-OD2 2.64Å; R74-D375 PolarHBondContact NH2-OD2 2.99Å; D375-E377 PolarHBondContact O-N 3.27Å; D375-E377 VanDerWaalsContact O-N 3.11Å; D375-M378 PolarHBondContact O-N 2.89Å; D375-M378 VanDerWaalsContact O-N 3.13Å; D375-E379 PolarHBondContact O-N 3.13Å
376	R	43.7	Very low	55.3	Low	104 Å²	104	64.3 Å²	64.3	39%	0.392	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-27.1	-174.9	-68.4	-177.7	176.1	158.8	8.9	114.6	N373 A374 M380	N373-R376 VanDerWaalsContact CG-NH1 3.26Å; N373-R376 WeakPolarHBondContact O-CB 3.34Å; N373-R376 VanDerWaalsContact O-CD 3.31Å; N373-R376 WeakPolarHBondContact O-CD 3.33Å; N373-R376 WeakPolarHBondContact O-CG 3.2Å; N373-R376 PolarHBondContact OD1-NH1 2.9Å; N373-R376 PolarHBondContact OD1-NH2 2.81Å; A374-R376 PolarHBondContact O-N 2.82Å; R376-M380 WeakPolarHBondContact O-CB 3.45Å
377	E	39	Very low	54.1	Low	109 Å²	109	68.4 Å²	68.4	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-94.9	-27.3	-179.5	-66.4	-170.2	164.1	0	0	112.1	A17 D375 A381	A17-E377 WeakPolarHBondContact CB-OE2 3.47Å; D375-E377 PolarHBondContact O-N 3.27Å; D375-E377 VanDerWaalsContact O-N 3.11Å; E377-A381 WeakPolarHBondContact O-CB 3.36Å; E377-A381 PolarHBondContact O-N 3.4Å; E377-A381 VanDerWaalsContact O-N 3.11Å
378	M	44.2	Very low	53.3	Low	106 Å²	106	74.3 Å²	74.3	52%	0.522	40%	0.404	S	S	.	.	H	α-helix	trans	-89.9	-45.5	-175	-155.9	172.1	65.2	0	0	111.7	D375 M380 A381 E382	D375-M378 PolarHBondContact O-N 2.89Å; D375-M378 VanDerWaalsContact O-N 3.13Å; M378-M380 VanDerWaalsContact C-N 3.31Å; M378-M380 PolarHBondContact O-N 3.05Å; M378-A381 PolarHBondContact O-N 3.13Å; M378-E382 WeakPolarHBondContact O-CB 3.2Å; M378-E382 WeakPolarHBondContact O-CG 3.27Å; M378-E382 PolarHBondContact O-N 3.12Å
379	E	43.3	Very low	52.9	Low	109 Å²	109	79.5 Å²	79.5	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-67.7	-34.4	174.2	-74.2	-175	163.3	0	0	111.5	D375 S383	D375-E379 PolarHBondContact O-N 3.13Å; E379-S383 VanDerWaalsContact O-CB 3.26Å; E379-S383 WeakPolarHBondContact O-CB 3.39Å; E379-S383 PolarHBondContact O-N 3.03Å; E379-S383 PolarHBondContact O-OG 3.31Å
380	M	45.5	Very low	53.1	Low	114 Å²	114	81.8 Å²	81.8	56%	0.562	44%	0.435	S	S	*	.	H	α-helix	trans	-73.1	-32.4	175.6	-158.5	176.1	57.8	0	0	111.7	R376 M378 S383 L384	R376-M380 WeakPolarHBondContact O-CB 3.45Å; M378-M380 VanDerWaalsContact C-N 3.31Å; M378-M380 PolarHBondContact O-N 3.05Å; M380-S383 WeakPolarHBondContact CA-OG 3.39Å; M380-S383 PolarHBondContact O-OG 2.94Å; M380-L384 HydrophobicContact CG-CD1 4.38Å; M380-L384 WeakPolarHBondContact O-CB 3.36Å; M380-L384 WeakPolarHBondContact O-CD1 3.16Å; M380-L384 WeakPolarHBondContact O-CG 3.38Å; M380-L384 PolarHBondContact O-N 3.39Å
381	A	49.3	Very low	53.7	Low	42 Å²	42	87.3 Å²	87.3	35%	0.347	46%	0.455	S	S	.	.	H	α-helix	trans	-71.5	-43.1	171.6	0	0	0	0	0	112	E377 M378 L384 E385	E377-A381 WeakPolarHBondContact O-CB 3.36Å; E377-A381 PolarHBondContact O-N 3.4Å; E377-A381 VanDerWaalsContact O-N 3.11Å; M378-A381 PolarHBondContact O-N 3.13Å; A381-L384 PolarHBondContact O-N 3.28Å; A381-E385 WeakPolarHBondContact O-CB 3.47Å; A381-E385 WeakPolarHBondContact O-CG 3.49Å; A381-E385 PolarHBondContact O-N 3.19Å
382	E	58	Low	54.3	Low	113 Å²	113	93.3 Å²	93.3	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-38.5	176.6	-75	177.4	179.7	0	0	111.7	M378 A386	M378-E382 WeakPolarHBondContact O-CB 3.2Å; M378-E382 WeakPolarHBondContact O-CG 3.27Å; M378-E382 PolarHBondContact O-N 3.12Å; E382-A386 VanDerWaalsContact O-CB 3.27Å; E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 3.32Å
383	S	53.3	Low	54.8	Low	58 Å²	58	97.4 Å²	97.4	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-73.2	-31.3	174.8	53	0	0	0	0	113	E379 M380 L387	E379-S383 VanDerWaalsContact O-CB 3.26Å; E379-S383 WeakPolarHBondContact O-CB 3.39Å; E379-S383 PolarHBondContact O-N 3.03Å; E379-S383 PolarHBondContact O-OG 3.31Å; M380-S383 WeakPolarHBondContact CA-OG 3.39Å; M380-S383 PolarHBondContact O-OG 2.94Å; S383-L387 WeakPolarHBondContact O-CB 3.22Å; S383-L387 WeakPolarHBondContact O-CD1 3.49Å; S383-L387 WeakPolarHBondContact O-CG 3.44Å; S383-L387 PolarHBondContact O-N 3.33Å
384	L	59.5	Low	55.5	Low	92 Å²	92	99 Å²	99	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-71	-41.1	170.8	-78.4	168.1	0	0	0	111.9	M380 A381 L387 E388	M380-L384 HydrophobicContact CG-CD1 4.38Å; M380-L384 WeakPolarHBondContact O-CB 3.36Å; M380-L384 WeakPolarHBondContact O-CD1 3.16Å; M380-L384 WeakPolarHBondContact O-CG 3.38Å; M380-L384 PolarHBondContact O-N 3.39Å; A381-L384 PolarHBondContact O-N 3.28Å; L384-L387 PolarHBondContact O-N 2.82Å; L384-E388 WeakPolarHBondContact O-CB 3.35Å; L384-E388 WeakPolarHBondContact O-CG 3.48Å; L384-E388 PolarHBondContact O-N 2.96Å
385	E	66	Low	56.5	Low	126 Å²	126	102.6 Å²	102.6	59%	0.589	54%	0.537	S	S	*	.	H	α-helix	trans	-62.5	-43	173.1	-79	-177	169.6	0	0	110.8	A381 L387 E388 D389	A381-E385 WeakPolarHBondContact O-CB 3.47Å; A381-E385 WeakPolarHBondContact O-CG 3.49Å; A381-E385 PolarHBondContact O-N 3.19Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 3.15Å; E385-E388 PolarHBondContact O-N 3.3Å; E385-D389 PolarHBondContact O-N 3.04Å
386	A	66.6	Low	57.5	Low	51 Å²	51	107 Å²	107	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-32.1	175.9	0	0	0	0	0	113.3	E382 L390	E382-A386 VanDerWaalsContact O-CB 3.27Å; E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 3.32Å; A386-L390 WeakPolarHBondContact O-CD1 3.37Å; A386-L390 PolarHBondContact O-N 2.91Å
387	L	65.8	Low	58.3	Low	95 Å²	95	107.2 Å²	107.2	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-78	-34.5	174.9	-76.4	169.9	0	0	0	112.4	S383 L384 E385 L390 L391	S383-L387 WeakPolarHBondContact O-CB 3.22Å; S383-L387 WeakPolarHBondContact O-CD1 3.49Å; S383-L387 WeakPolarHBondContact O-CG 3.44Å; S383-L387 PolarHBondContact O-N 3.33Å; L384-L387 PolarHBondContact O-N 2.82Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 3.15Å; L387-L390 PolarHBondContact O-N 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.47Å; L387-L391 WeakPolarHBondContact O-CG 3.42Å; L387-L391 PolarHBondContact O-N 3.16Å
388	E	69.7	Low	59.6	Low	125 Å²	125	107.1 Å²	107.1	58%	0.584	57%	0.574	S	S	*	*	H	α-helix	trans	-64.3	-41.8	172.4	-76.9	-176.9	176.3	0	0	110.6	L384 E385 L390 L391 T392	L384-E388 WeakPolarHBondContact O-CB 3.35Å; L384-E388 WeakPolarHBondContact O-CG 3.48Å; L384-E388 PolarHBondContact O-N 2.96Å; E385-E388 PolarHBondContact O-N 3.3Å; E388-L390 VanDerWaalsContact C-N 3.26Å; E388-L390 PolarHBondContact O-N 3.42Å; E388-L391 PolarHBondContact O-N 2.83Å; E388-L391 VanDerWaalsContact O-N 3.12Å; E388-T392 PolarHBondContact O-N 3.43Å; E388-T392 VanDerWaalsContact O-N 3.16Å; E388-T392 PolarHBondContact O-OG1 3.3Å
389	D	72.6	Confident	60.7	Low	125 Å²	125	107.1 Å²	107.1	67%	0.668	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-24.2	174.8	-80.1	-10.5	0	0	0	113.6	E385 T392	E385-D389 PolarHBondContact O-N 3.04Å; D389-T392 PolarHBondContact O-OG1 3.02Å
390	L	69	Low	62.1	Low	139 Å²	139	107 Å²	107	73%	0.728	58%	0.583	S	S	*	*	H	α-helix	trans	-84.8	-16.6	174.6	-89.8	159.4	0	0	0	113.3	A386 L387 E388	A386-L390 WeakPolarHBondContact O-CD1 3.37Å; A386-L390 PolarHBondContact O-N 2.91Å; L387-L390 PolarHBondContact O-N 3.49Å; E388-L390 VanDerWaalsContact C-N 3.26Å; E388-L390 PolarHBondContact O-N 3.42Å
391	L	68.7	Low	63.4	Low	151 Å²	151	106.4 Å²	106.4	79%	0.791	59%	0.585	S	S	*	*	H	α-helix	trans	-102.8	-10.3	-177.7	-73.9	167.5	0	0	0	113.4	L387 E388	L387-L391 WeakPolarHBondContact O-CD1 3.47Å; L387-L391 WeakPolarHBondContact O-CG 3.42Å; L387-L391 PolarHBondContact O-N 3.16Å; E388-L391 PolarHBondContact O-N 2.83Å; E388-L391 VanDerWaalsContact O-N 3.12Å
392	T	62.9	Low	64.7	Low	160 Å²	160	112.3 Å²	112.3	98%	0.982	61%	0.607	S	S	*	*			trans	-92.8	0	165.9	55.8	0	0	0	0	111.7	E388 D389	E388-T392 PolarHBondContact O-N 3.43Å; E388-T392 VanDerWaalsContact O-N 3.16Å; E388-T392 PolarHBondContact O-OG1 3.3Å; D389-T392 PolarHBondContact O-OG1 3.02Å

Retrieved 392 of 392 residues in 113.2 ms (Link to these results)

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