A0A087Y8V4_POEFO Loading...

Kringle-containing protein marking the eye and the nose

AlphaFold DB , UniProt , Accession A0A087Y8V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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	36.1	Very low	35	Very low	242 Å²	242	153.2 Å²	153.2	100%	1.192	87%	0.867	S	S	*	*				0	90.4	0	-80.2	171.4	92.3	0	0	105.9
2	D	35.1	Very low	35	Very low	163 Å²	163	153.8 Å²	153.8	87%	0.872	87%	0.865	S	S	*	*			trans	-82.4	149.6	-173.7	-51.6	-64.8	0	0	0	111.1
3	S	32.8	Very low	35.1	Very low	119 Å²	119	148 Å²	148	83%	0.832	85%	0.848	S	S	*	*			trans	-166	112.2	143.9	-175.9	0	0	0	0	109.2
4	W	34.5	Very low	34.9	Very low	254 Å²	254	142.2 Å²	142.2	96%	0.962	84%	0.836	S	S	*	*			trans	-100.8	145	175.9	-88.7	15.5	0	0	0	110.6
5	S	34.8	Very low	34.9	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	84%	0.836	S	S	*	*			trans	-69.4	129.6	176	54.5	0	0	0	0	112.2
6	A	35.8	Very low	34.9	Very low	101 Å²	101	146.3 Å²	146.3	84%	0.835	84%	0.835	S	S	*	*			trans	-89.5	112.7	170	0	0	0	0	0	110.1
7	T	35.8	Very low	34.9	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	83%	0.827	S	S	*	*			trans	-86.6	112.9	166.8	37	0	0	0	0	109.1	A9	T7-A9 PolarHBondContact O-N 3.48Å
8	S	35.6	Very low	35	Very low	117 Å²	117	141.6 Å²	141.6	82%	0.818	82%	0.818	S	S	*	*			trans	-75.7	116.9	172.4	-65.1	0	0	0	0	110.3	L10	S8-L10 PolarHBondContact O-N 3Å
9	A	35.6	Very low	35.1	Very low	89 Å²	89	138.6 Å²	138.6	74%	0.736	81%	0.812	S	S	*	*			trans	-73.6	113.5	171.9	0	0	0	0	0	110.2	T7 F11	T7-A9 PolarHBondContact O-N 3.48Å; A9-F11 PolarHBondContact O-N 3Å
10	L	35.4	Very low	35.3	Very low	157 Å²	157	136.2 Å²	136.2	82%	0.822	81%	0.808	S	S	*	*			trans	-76.4	106.8	166.4	-92.3	145.3	0	0	0	108.7	S8 L12	S8-L10 PolarHBondContact O-N 3Å; L10-L12 PolarHBondContact O-N 3.33Å
11	F	33.7	Very low	35.3	Very low	199 Å²	199	137.5 Å²	137.5	87%	0.873	80%	0.804	S	S	*	*			trans	-69.9	93.5	163.4	-86.8	-87.4	0	0	0	108.6	A9 A13	A9-F11 PolarHBondContact O-N 3Å; F11-A13 VanDerWaalsContact C-N 3.3Å; F11-A13 PolarHBondContact O-N 3.39Å; F11-A13 VanDerWaalsContact O-N 3.08Å
12	L	35.3	Very low	35.5	Very low	161 Å²	161	137.3 Å²	137.3	84%	0.843	79%	0.79	S	S	*	*			trans	-73.4	90.8	160.1	-79.2	162.7	0	0	0	107.3	L10 G14	L10-L12 PolarHBondContact O-N 3.33Å; L12-G14 VanDerWaalsContact C-N 3.27Å; L12-G14 PolarHBondContact O-N 2.97Å
13	A	36.6	Very low	36	Very low	78 Å²	78	136.6 Å²	136.6	65%	0.645	78%	0.781	S	S	*	*			trans	-61.8	99.2	158.5	0	0	0	0	0	106.7	F11 F15	F11-A13 VanDerWaalsContact C-N 3.3Å; F11-A13 PolarHBondContact O-N 3.39Å; F11-A13 VanDerWaalsContact O-N 3.08Å; A13-F15 VanDerWaalsContact C-N 3.31Å; A13-F15 PolarHBondContact O-N 3.39Å
14	G	31.5	Very low	37	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	76%	0.756	S	S	*	*			trans	-62.7	95	172.4	0	0	0	0	0	108.7	L12 I16	L12-G14 VanDerWaalsContact C-N 3.27Å; L12-G14 PolarHBondContact O-N 2.97Å; G14-I16 PolarHBondContact O-N 2.98Å
15	F	34.8	Very low	38.6	Very low	189 Å²	189	129.2 Å²	129.2	83%	0.829	75%	0.748	S	S	*	*			trans	-62.7	95.3	155	-82.2	-88.1	0	0	0	106.1	A13 T17	A13-F15 VanDerWaalsContact C-N 3.31Å; A13-F15 PolarHBondContact O-N 3.39Å; F15-T17 PolarHBondContact O-N 3.43Å
16	I	35.6	Very low	41.2	Very low	161 Å²	161	124.9 Å²	124.9	83%	0.826	72%	0.718	S	S	*	*			trans	-64.7	91	160.5	-59.6	175.5	0	0	0	104.3	G14 S18	G14-I16 PolarHBondContact O-N 2.98Å; I16-S18 PolarHBondContact O-N 2.78Å
17	T	34.5	Very low	43.9	Very low	112 Å²	112	123.5 Å²	123.5	69%	0.687	69%	0.694	S	S	*	*			trans	-58.5	109.7	165.6	46.4	0	0	0	0	106.2	F15 A19	F15-T17 PolarHBondContact O-N 3.43Å; T17-A19 PolarHBondContact O-N 3.04Å
18	S	37.5	Very low	46.7	Very low	95 Å²	95	117.1 Å²	117.1	66%	0.664	66%	0.655	S	S	*	*			trans	-64.2	65.4	165.3	50.4	0	0	0	0	109.5	I16 A20	I16-S18 PolarHBondContact O-N 2.78Å; S18-A20 PolarHBondContact O-N 3.07Å
19	A	37.1	Very low	49.6	Very low	86 Å²	86	112.6 Å²	112.6	71%	0.711	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	54.7	175.5	0	0	0	0	0	110	T17	T17-A19 PolarHBondContact O-N 3.04Å
20	A	37.4	Very low	52.4	Low	89 Å²	89	108.9 Å²	108.9	74%	0.736	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.3	8.9	174.4	0	0	0	0	0	114.3	S18	S18-A20 PolarHBondContact O-N 3.07Å
21	F	36.5	Very low	55.3	Low	165 Å²	165	102.1 Å²	102.1	72%	0.724	56%	0.555	S	S	*	*			trans	-119.3	27.1	178.6	-77.2	-79.5	0	0	0	113.9	H23	F21-H23 VanDerWaalsContact C-N 3.27Å; F21-H23 PolarHBondContact O-N 2.89Å
22	R	39.3	Very low	58.3	Low	237 Å²	237	93.3 Å²	93.3	89%	0.894	52%	0.517	S	S	*	.			trans	-86.4	22	-178.8	-76.6	-160.2	178.9	-156.9	1.1	115.2
23	H	46.1	Very low	61.2	Low	149 Å²	149	85.7 Å²	85.7	69%	0.69	48%	0.477	S	S	*	.	S	Bend	trans	-131.7	105.8	178.6	-113.5	38.5	0	0	0	108.8	F21	F21-H23 VanDerWaalsContact C-N 3.27Å; F21-H23 PolarHBondContact O-N 2.89Å
24	F	53.3	Low	64	Low	67 Å²	67	85.9 Å²	85.9	29%	0.294	47%	0.465	S	S	.	.			trans	80.9	52	175	-58	-86.9	0	0	0	118	P113 A218 V220 L313	F24-P113 HydrophobicContact CD1-CB 4.29Å; F24-P113 HydrophobicContact CD1-CG 4.08Å; F24-P113 HydrophobicContact CE1-CB 3.94Å; F24-P113 HydrophobicContact CE1-CG 4.26Å; F24-A218 HydrophobicContact CD2-CB 3.75Å; F24-A218 HydrophobicContact CE2-CB 3.81Å; F24-V220 HydrophobicContact CD1-CG2 4.06Å; F24-V220 HydrophobicContact CE1-CG2 3.99Å; F24-L313 HydrophobicContact CB-CD1 4.22Å; F24-L313 HydrophobicContact CD1-CD1 4.15Å; F24-L313 HydrophobicContact CG-CD1 4.19Å
25	D	68.8	Low	67	Low	151 Å²	151	84 Å²	84	81%	0.807	44%	0.439	S	S	*	.			trans	-102.7	64.3	160.6	-139.6	9.9	0	0	0	109.2
26	S	88.9	Confident	69.9	Low	18 Å²	18	75.2 Å²	75.2	13%	0.126	40%	0.4	C	S	.	.			trans	-97.7	132.6	171.5	-177.5	0	0	0	0	109.7	C28 Y29 Q111	S26-C28 PolarHBondContact OG-N 3.23Å; S26-C28 PolarHBondContact OG-O 3.24Å; S26-Y29 WeakPolarHBondContact O-CE2 3.49Å; S26-Y29 PolarHBondContact O-OH 2.97Å; S26-Y29 VanDerWaalsContact O-OH 3.08Å; S26-Q111 PolarHBondContact OG-O 2.8Å
27	E	93.3	Very high	72.8	Confident	73 Å²	73	73.1 Å²	73.1	34%	0.341	38%	0.382	S	S	.	.	S	Bend	trans	-92.4	0.2	175.9	-65.9	-171.2	118.5	0	0	112.5	Y36 S109	E27-Y36 HydrophobicContact CB-CD2 4Å; E27-Y36 HydrophobicContact CB-CE2 3.92Å; E27-Y36 WeakPolarHBondContact OE2-CE2 3.36Å; E27-S109 PolarHBondContact N-O 3.49Å; E27-S109 WeakPolarHBondContact OE2-CB 3.34Å; E27-S109 PolarHBondContact OE2-OG 2.86Å
28	C	95.1	Very high	75.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.			trans	-133.7	134.6	-179.9	-70.3	0	0	0	0	111.3	S26 Y36 C110 M112	S26-C28 PolarHBondContact OG-N 3.23Å; S26-C28 PolarHBondContact OG-O 3.24Å; C28-Y36 VanDerWaalsContact SG-CB 3.52Å; C28-Y36 VanDerWaalsContact SG-CD2 3.54Å; C28-C110 HydrophobicContact CB-CB 3.95Å; C28-C110 WeakPolarHBondContact CB-SG 3.44Å; C28-C110 WeakPolarHBondContact SG-CA 3.18Å; C28-C110 WeakPolarHBondContact SG-CB 3.28Å; C28-C110 CovalentContact SG-SG 2.03Å; C28-C110 PolarHBondContact SG-SG 2.93Å; C28-M112 VanDerWaalsContact O-CA 3.26Å; C28-M112 WeakPolarHBondContact O-CA 3.44Å
29	Y	95.5	Very high	78.5	Confident	22 Å²	22	70.5 Å²	70.5	9%	0.086	35%	0.35	C	S	.	.			trans	-124.1	1.6	176.9	-60.6	-95.1	0	0	0	111.4	S26 D35 P113 V220 Y222 F226 T253 A311	S26-Y29 WeakPolarHBondContact O-CE2 3.49Å; S26-Y29 PolarHBondContact O-OH 2.97Å; S26-Y29 VanDerWaalsContact O-OH 3.08Å; Y29-D35 WeakPolarHBondContact CA-OD2 3.15Å; Y29-D35 WeakPolarHBondContact CB-OD2 3.45Å; Y29-D35 PolarHBondContact N-OD1 2.81Å; Y29-D35 PolarHBondContact N-OD2 3.39Å; Y29-P113 HydrophobicContact CE1-CG 4.35Å; Y29-V220 HydrophobicContact CD1-CG1 4.3Å; Y29-V220 HydrophobicContact CD1-CG2 4.34Å; Y29-V220 HydrophobicContact CE1-CG2 4.02Å; Y29-Y222 WeakPolarHBondContact O-CE1 3.43Å; Y29-F226 WeakPolarHBondContact O-CE1 3.43Å; Y29-F226 WeakPolarHBondContact O-CZ 3.36Å; Y29-T253 HydrophobicContact CD1-CG2 4.25Å; Y29-T253 WeakPolarHBondContact CD1-OG1 3.49Å; Y29-T253 HydrophobicContact CD2-CG2 4.02Å; Y29-T253 WeakPolarHBondContact CD2-OG1 3.43Å; Y29-T253 HydrophobicContact CE1-CG2 3.89Å; Y29-T253 HydrophobicContact CE2-CG2 3.69Å; Y29-T253 HydrophobicContact CG-CG2 4.32Å; Y29-A311 HydrophobicContact CD1-CB 4.45Å; Y29-A311 HydrophobicContact CG-CB 4.5Å
30	T	95.4	Very high	81.4	Confident	11 Å²	11	67.4 Å²	67.4	7%	0.067	32%	0.321	C	S	.	.	S	Bend	trans	-103.2	153.2	168.1	61.4	0	0	0	0	111.5	N32 G33 Q34 D35 F254	T30-N32 PolarHBondContact O-N 3.08Å; T30-N32 PolarHBondContact OG1-OD1 3.38Å; T30-G33 PolarHBondContact O-N 3.39Å; T30-G33 WeakPolarHBondContact OG1-CA 3.49Å; T30-G33 PolarHBondContact OG1-N 3.23Å; T30-Q34 PolarHBondContact OG1-N 2.8Å; T30-D35 WeakPolarHBondContact CB-OD1 3.38Å; T30-D35 HydrophobicContact CG2-CB 4.04Å; T30-D35 WeakPolarHBondContact CG2-OD1 3.49Å; T30-D35 PolarHBondContact N-OD1 2.92Å; T30-D35 VanDerWaalsContact N-OD1 3.07Å; T30-D35 PolarHBondContact OG1-N 3.27Å; T30-D35 PolarHBondContact OG1-OD1 2.85Å; T30-F254 HydrophobicContact CG2-CD2 4.18Å; T30-F254 HydrophobicContact CG2-CE2 4.29Å
31	A	95.7	Very high	84.2	Confident	15 Å²	15	66.2 Å²	66.2	12%	0.124	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27	-178.2	0	0	0	0	0	113.7	M112 I140 P227	A31-M112 WeakPolarHBondContact CA-SD 3.22Å; A31-M112 HydrophobicContact CB-SD 3.78Å; A31-I140 HydrophobicContact CB-CD1 3.72Å; A31-P227 HydrophobicContact CB-CB 3.81Å; A31-P227 HydrophobicContact CB-CG 3.94Å
32	N	96.1	Very high	87	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.07	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	9.4	-176	68.2	-14.4	0	0	0	113.8	T30 Q34 N82 D86 V87 Q88 P89 T191	T30-N32 PolarHBondContact O-N 3.08Å; T30-N32 PolarHBondContact OG1-OD1 3.38Å; N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.31Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.21Å; N32-Q34 PolarHBondContact OD1-N 2.98Å; N32-N82 PolarHBondContact ND2-ND2 2.77Å; N32-N82 PolarHBondContact O-ND2 2.95Å; N32-D86 VanDerWaalsContact CB-O 3.28Å; N32-D86 WeakPolarHBondContact CB-O 3.39Å; N32-D86 PolarHBondContact ND2-O 3.15Å; N32-V87 VanDerWaalsContact CA-O 3.26Å; N32-V87 WeakPolarHBondContact CA-O 3.48Å; N32-V87 WeakPolarHBondContact CB-O 3.27Å; N32-Q88 WeakPolarHBondContact O-CA 3.33Å; N32-P89 WeakPolarHBondContact O-CD 3.29Å; N32-T191 VanDerWaalsContact CB-O 3.26Å; N32-T191 WeakPolarHBondContact CB-O 3.41Å; N32-T191 PolarHBondContact ND2-O 3.05Å; N32-T191 VanDerWaalsContact ND2-O 3.15Å
33	G	95.7	Very high	89.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.01	24%	0.242	C	C	.	.			trans	65.5	23.9	179.2	0	0	0	0	0	115	T30 D35 Y36	T30-G33 PolarHBondContact O-N 3.39Å; T30-G33 WeakPolarHBondContact OG1-CA 3.49Å; T30-G33 PolarHBondContact OG1-N 3.23Å; G33-D35 PolarHBondContact O-N 3.3Å; G33-Y36 WeakPolarHBondContact O-CB 3.21Å; G33-Y36 PolarHBondContact O-N 2.96Å
34	Q	95.1	Very high	91.9	Very high	82 Å²	82	44.5 Å²	44.5	38%	0.383	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	175.2	-170.2	170.9	12	0	0	113.1	T30 N32 R37	T30-Q34 PolarHBondContact OG1-N 2.8Å; N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.31Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.21Å; N32-Q34 PolarHBondContact OD1-N 2.98Å; Q34-R37 PolarHBondContact O-NH1 2.84Å
35	D	94.6	Very high	93.7	Very high	29 Å²	29	45.6 Å²	45.6	16%	0.155	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.5	176.1	68.7	-43.6	0	0	0	114.2	Y29 T30 G33 R37	Y29-D35 WeakPolarHBondContact CA-OD2 3.15Å; Y29-D35 WeakPolarHBondContact CB-OD2 3.45Å; Y29-D35 PolarHBondContact N-OD1 2.81Å; Y29-D35 PolarHBondContact N-OD2 3.39Å; T30-D35 WeakPolarHBondContact CB-OD1 3.38Å; T30-D35 HydrophobicContact CG2-CB 4.04Å; T30-D35 WeakPolarHBondContact CG2-OD1 3.49Å; T30-D35 PolarHBondContact N-OD1 2.92Å; T30-D35 VanDerWaalsContact N-OD1 3.07Å; T30-D35 PolarHBondContact OG1-N 3.27Å; T30-D35 PolarHBondContact OG1-OD1 2.85Å; G33-D35 PolarHBondContact O-N 3.3Å; D35-R37 PolarHBondContact O-N 3.3Å
36	Y	96.2	Very high	94.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.012	22%	0.224	C	C	.	.			trans	-59.8	124.3	-179.6	-176.5	-112.9	0	0	0	112.3	E27 C28 G33 G38 Q40 C80 I107 C110	E27-Y36 HydrophobicContact CB-CD2 4Å; E27-Y36 HydrophobicContact CB-CE2 3.92Å; E27-Y36 WeakPolarHBondContact OE2-CE2 3.36Å; C28-Y36 VanDerWaalsContact SG-CB 3.52Å; C28-Y36 VanDerWaalsContact SG-CD2 3.54Å; G33-Y36 WeakPolarHBondContact O-CB 3.21Å; G33-Y36 PolarHBondContact O-N 2.96Å; Y36-G38 VanDerWaalsContact CZ-CA 3.41Å; Y36-G38 WeakPolarHBondContact OH-CA 3.32Å; Y36-Q40 PolarHBondContact OH-N 2.89Å; Y36-C80 VanDerWaalsContact CD1-O 3.3Å; Y36-C80 WeakPolarHBondContact CD1-O 3.15Å; Y36-C80 HydrophobicContact CE1-CB 4.39Å; Y36-I107 HydrophobicContact CD1-CD1 3.93Å; Y36-I107 HydrophobicContact CD2-CG2 4.49Å; Y36-I107 HydrophobicContact CE1-CD1 3.71Å; Y36-I107 HydrophobicContact CE2-CD1 4.44Å; Y36-I107 HydrophobicContact CE2-CG2 3.71Å; Y36-I107 HydrophobicContact CG-CD1 4.4Å; Y36-C110 HydrophobicContact CD2-CB 4Å; Y36-C110 HydrophobicContact CE2-CB 4.32Å
37	R	96.1	Very high	94.6	Very high	118 Å²	118	49.9 Å²	49.9	45%	0.445	26%	0.261	S	S	.	.			trans	-127.9	14.4	176.6	-62.3	-62	177.4	-85.2	-3.5	113.9	Q34 D35 R81	Q34-R37 PolarHBondContact O-NH1 2.84Å; D35-R37 PolarHBondContact O-N 3.3Å; R37-R81 PolarHBondContact O-NH2 3.47Å
38	G	95.9	Very high	94.4	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	26%	0.257	C	S	.	.			trans	-68.3	-175.3	177.1	0	0	0	0	0	113.9	Y36 R81	Y36-G38 VanDerWaalsContact CZ-CA 3.41Å; Y36-G38 WeakPolarHBondContact OH-CA 3.32Å; G38-R81 PolarHBondContact O-NH1 3.41Å; G38-R81 PolarHBondContact O-NH2 3.47Å
39	F	96.9	Very high	94.3	Very high	150 Å²	150	49.6 Å²	49.6	66%	0.658	27%	0.266	S	S	*	.			trans	-109.3	10.7	-166.6	-55.6	-72	0	0	0	114.7	N41 Y79	F39-N41 PolarHBondContact O-N 2.92Å; F39-Y79 VanDerWaalsContact C-CD1 3.41Å; F39-Y79 HydrophobicContact CB-CD1 4.28Å; F39-Y79 HydrophobicContact CB-CE1 4.05Å; F39-Y79 HydrophobicContact CD1-CD2 4.22Å; F39-Y79 HydrophobicContact CD1-CE1 4.31Å; F39-Y79 AromaticContact CD1-CE2 3.68Å; F39-Y79 HydrophobicContact CD1-CE2 3.68Å; F39-Y79 AromaticContact CD1-CZ 3.73Å; F39-Y79 HydrophobicContact CE1-CE2 4.35Å; F39-Y79 WeakPolarHBondContact O-CD1 3.45Å; F39-Y79 VanDerWaalsContact O-CE1 3.3Å; F39-Y79 WeakPolarHBondContact O-CE1 3.22Å
40	Q	97.1	Very high	94.3	Very high	20 Å²	20	53.2 Å²	53.2	9%	0.093	29%	0.292	C	S	.	.			trans	-67	122.2	178	-175.8	167.4	-42.6	0	0	110.4	Y36 Q42 Y79 C80 D106	Y36-Q40 PolarHBondContact OH-N 2.89Å; Q40-Q42 HydrophobicContact CG-CG 4.45Å; Q40-Q42 WeakPolarHBondContact CG-O 3.24Å; Q40-Q42 PolarHBondContact NE2-O 2.74Å; Q40-Y79 CarbonylContact O-C 2.94Å; Q40-Y79 VanDerWaalsContact O-CA 3.22Å; Q40-Y79 WeakPolarHBondContact O-CA 3.4Å; Q40-C80 PolarHBondContact O-N 2.77Å; Q40-C80 PolarHBondContact O-SG 2.83Å; Q40-D106 PolarHBondContact NE2-O 2.84Å
41	N	97.1	Very high	94.3	Very high	64 Å²	64	53 Å²	53	34%	0.342	29%	0.291	S	S	.	.			trans	-118.5	21	-176	62.8	-5.9	0	0	0	113.4	F39 C51 N78 Y79	F39-N41 PolarHBondContact O-N 2.92Å; N41-C51 VanDerWaalsContact O-CB 3.25Å; N41-C51 WeakPolarHBondContact O-CB 3.45Å; N41-C51 PolarHBondContact O-N 2.88Å; N41-C51 PolarHBondContact O-SG 3.27Å; N41-C51 VanDerWaalsContact O-SG 3.39Å; N41-N78 VanDerWaalsContact CB-OD1 3.31Å; N41-N78 WeakPolarHBondContact CB-OD1 2.93Å; N41-Y79 HydrophobicContact CB-CD1 3.95Å; N41-Y79 HydrophobicContact CB-CE1 4.37Å
42	Q	95.5	Very high	94.4	Very high	65 Å²	65	54.8 Å²	54.8	30%	0.304	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-139.9	149.7	176.3	55.1	-174.8	69.5	0	0	109.4	Q40 S44 L45 K49	Q40-Q42 HydrophobicContact CG-CG 4.45Å; Q40-Q42 WeakPolarHBondContact CG-O 3.24Å; Q40-Q42 PolarHBondContact NE2-O 2.74Å; Q42-S44 PolarHBondContact NE2-O 3.1Å; Q42-S44 PolarHBondContact O-N 2.86Å; Q42-L45 VanDerWaalsContact NE2-CA 3.32Å; Q42-L45 PolarHBondContact NE2-O 2.73Å; Q42-K49 CarbonylContact C-O 3.5Å; Q42-K49 VanDerWaalsContact CA-O 3.29Å; Q42-K49 WeakPolarHBondContact CA-O 3.34Å
43	T	94.3	Very high	94.5	Very high	10 Å²	10	57.9 Å²	57.9	6%	0.061	31%	0.311	C	S	.	.	S	Bend	trans	-66.2	-22.9	-173.7	65.4	0	0	0	0	113.1	G48 K49 I93 K103 C105 D106	T43-G48 WeakPolarHBondContact OG1-CA 3.49Å; T43-K49 HydrophobicContact CG2-CB 4.34Å; T43-K49 PolarHBondContact N-O 2.84Å; T43-K49 PolarHBondContact OG1-N 2.75Å; T43-I93 HydrophobicContact CG2-CG2 3.93Å; T43-K103 HydrophobicContact CG2-CB 3.87Å; T43-C105 CarbonylContact O-C 3.53Å; T43-C105 VanDerWaalsContact O-CA 3.29Å; T43-C105 WeakPolarHBondContact O-CA 3.39Å; T43-D106 PolarHBondContact O-N 2.04Å
44	S	93.5	Very high	94.6	Very high	20 Å²	20	57.8 Å²	57.8	14%	0.14	31%	0.311	C	S	.	.			trans	-157.6	149.9	172.7	177.2	0	0	0	0	109.1	Q42 H46 G48	Q42-S44 PolarHBondContact NE2-O 3.1Å; Q42-S44 PolarHBondContact O-N 2.86Å; S44-H46 PolarHBondContact O-N 3.35Å; S44-H46 PolarHBondContact OG-N 2.91Å; S44-G48 WeakPolarHBondContact O-CA 3.43Å; S44-G48 PolarHBondContact O-N 3.33Å
45	L	91.4	Very high	94.6	Very high	90 Å²	90	55.8 Å²	55.8	47%	0.471	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.9	176.5	-63.4	-179.1	0	0	0	112.8	Q42 P108	Q42-L45 VanDerWaalsContact NE2-CA 3.32Å; Q42-L45 PolarHBondContact NE2-O 2.73Å; L45-P108 HydrophobicContact CD1-CG 3.98Å
46	H	89.3	Confident	94.7	Very high	172 Å²	172	60.2 Å²	60.2	80%	0.796	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	98.7	-176.8	-60.7	-63.2	0	0	0	110.5	S44 G48	S44-H46 PolarHBondContact O-N 3.35Å; S44-H46 PolarHBondContact OG-N 2.91Å; H46-G48 VanDerWaalsContact C-N 3.32Å; H46-G48 PolarHBondContact O-N 3Å
47	G	86.5	Confident	94.5	Very high	87 Å²	87	60.2 Å²	60.2	90%	0.897	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	16.7	177.8	0	0	0	0	0	114.9
48	G	89.6	Confident	94.4	Very high	26 Å²	26	59.9 Å²	59.9	27%	0.268	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-71.8	161.2	174	0	0	0	0	0	113.7	T43 S44 H46	T43-G48 WeakPolarHBondContact OG1-CA 3.49Å; S44-G48 WeakPolarHBondContact O-CA 3.43Å; S44-G48 PolarHBondContact O-N 3.33Å; H46-G48 VanDerWaalsContact C-N 3.32Å; H46-G48 PolarHBondContact O-N 3Å
49	K	92.5	Very high	94.2	Very high	42 Å²	42	66.1 Å²	66.1	18%	0.183	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-87.8	145.3	175.3	-66.5	-170.8	176.3	-174.5	0	110.3	Q42 T43 I93 D95 D98 K103	Q42-K49 CarbonylContact C-O 3.5Å; Q42-K49 VanDerWaalsContact CA-O 3.29Å; Q42-K49 WeakPolarHBondContact CA-O 3.34Å; T43-K49 HydrophobicContact CG2-CB 4.34Å; T43-K49 PolarHBondContact N-O 2.84Å; T43-K49 PolarHBondContact OG1-N 2.75Å; K49-I93 HydrophobicContact CB-CG2 4.05Å; K49-I93 HydrophobicContact CD-CD1 3.83Å; K49-D95 HydrophobicContact CD-CB 4.15Å; K49-D95 VanDerWaalsContact CE-OD2 3.27Å; K49-D95 WeakPolarHBondContact CE-OD2 3.47Å; K49-D95 IonicContact NZ-OD2 3.85Å; K49-D95 PolarHBondContact NZ-OD2 2.89Å; K49-D98 WeakPolarHBondContact CE-OD2 3.41Å; K49-D98 IonicContact NZ-OD1 3.34Å; K49-D98 IonicContact NZ-OD2 3.99Å; K49-D98 PolarHBondContact NZ-OD2 3.01Å; K49-K103 HydrophobicContact CD-CD 4.39Å
50	P	95.3	Very high	94	Very high	98 Å²	98	60.7 Å²	60.7	64%	0.636	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-69.6	138.5	175.5	29.3	-34.1	0	0	0	110.6
51	C	97.1	Very high	93.9	Very high	7 Å²	7	63 Å²	63	5%	0.047	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-79	146.1	177.9	-63.7	0	0	0	0	111.9	N41 N78 C91 Y92	N41-C51 VanDerWaalsContact O-CB 3.25Å; N41-C51 WeakPolarHBondContact O-CB 3.45Å; N41-C51 PolarHBondContact O-N 2.88Å; N41-C51 PolarHBondContact O-SG 3.27Å; N41-C51 VanDerWaalsContact O-SG 3.39Å; C51-N78 HydrophobicContact CB-CB 4.24Å; C51-N78 WeakPolarHBondContact CB-O 3.34Å; C51-N78 WeakPolarHBondContact O-CB 3.32Å; C51-N78 PolarHBondContact O-ND2 2.88Å; C51-C91 VanDerWaalsContact CA-SG 3.56Å; C51-C91 HydrophobicContact CB-CB 3.5Å; C51-C91 WeakPolarHBondContact CB-SG 3Å; C51-C91 WeakPolarHBondContact SG-CB 3.5Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.73Å; C51-Y92 CarbonylContact C-O 3.3Å; C51-Y92 WeakPolarHBondContact CA-O 3.5Å
52	L	96.8	Very high	93.8	Very high	51 Å²	51	62.4 Å²	62.4	27%	0.267	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-79.9	154.9	170.4	-63.3	-179.5	0	0	0	111.8	T57 N78 Y92 A94	L52-T57 HydrophobicContact CB-CG2 3.77Å; L52-T57 HydrophobicContact CD1-CG2 4.16Å; L52-N78 VanDerWaalsContact O-CB 3.29Å; L52-N78 WeakPolarHBondContact O-CB 3.47Å; L52-Y92 PolarHBondContact N-O 2.67Å; L52-A94 HydrophobicContact CD2-CB 3.89Å
53	F	97.8	Very high	93.8	Very high	78 Å²	78	59.8 Å²	59.8	34%	0.342	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-75.1	130.8	179.3	-82.4	-98.9	0	0	0	112.3	N55 E56 T57 H77 N78	F53-N55 WeakPolarHBondContact CB-OD1 3.41Å; F53-N55 WeakPolarHBondContact CD1-OD1 3.48Å; F53-N55 PolarHBondContact O-N 2.83Å; F53-N55 VanDerWaalsContact O-N 3.14Å; F53-E56 HydrophobicContact CB-CB 4.22Å; F53-E56 HydrophobicContact CB-CG 4.04Å; F53-E56 PolarHBondContact O-N 2.71Å; F53-T57 WeakPolarHBondContact O-CG2 3.42Å; F53-T57 PolarHBondContact O-N 2.64Å; F53-T57 PolarHBondContact O-OG1 2.81Å; F53-H77 VanDerWaalsContact CD1-C 3.44Å; F53-N78 HydrophobicContact CB-CB 4.46Å; F53-N78 HydrophobicContact CD1-CB 4.21Å; F53-N78 HydrophobicContact CD2-CB 3.81Å; F53-N78 HydrophobicContact CE1-CB 4.41Å; F53-N78 HydrophobicContact CE2-CB 4.01Å; F53-N78 HydrophobicContact CG-CB 3.9Å; F53-N78 HydrophobicContact CZ-CB 4.31Å
54	W	97.9	Very high	93.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.1	179	-58.6	109.1	0	0	0	113.5	E56 T57 N63 T64 L74 H77 Y79 R81 W90 C91 Y92	W54-E56 VanDerWaalsContact C-N 3.34Å; W54-T57 PolarHBondContact O-OG1 2.87Å; W54-N63 VanDerWaalsContact O-CA 3.27Å; W54-N63 WeakPolarHBondContact O-CA 3.33Å; W54-N63 WeakPolarHBondContact O-CB 3.21Å; W54-T64 HydrophobicContact CB-CG2 4.33Å; W54-T64 PolarHBondContact O-N 2.9Å; W54-T64 VanDerWaalsContact O-N 3.12Å; W54-L74 HydrophobicContact CB-CD2 4.34Å; W54-L74 HydrophobicContact CD2-CD2 3.51Å; W54-L74 HydrophobicContact CE3-CD2 3.74Å; W54-L74 HydrophobicContact CG-CD2 3.78Å; W54-L74 HydrophobicContact CZ2-CD2 4.34Å; W54-L74 HydrophobicContact CZ3-CD2 4.22Å; W54-H77 AromaticContact CD1-CE1 3.64Å; W54-H77 AromaticContact CD1-ND1 3.47Å; W54-H77 PolarHBondContact N-O 2.81Å; W54-H77 AromaticContact NE1-CE1 3.96Å; W54-H77 AromaticContact NE1-ND1 3.87Å; W54-Y79 PolarHBondContact NE1-O 3.25Å; W54-R81 HydrophobicContact CZ2-CB 3.92Å; W54-R81 HydrophobicContact CZ2-CG 4.36Å; W54-W90 HydrophobicContact CH2-CD2 4.48Å; W54-W90 AromaticContact CH2-CE3 3.97Å; W54-W90 HydrophobicContact CH2-CE3 3.97Å; W54-W90 AromaticContact CH2-CH2 3.9Å; W54-W90 HydrophobicContact CH2-CH2 3.9Å; W54-W90 HydrophobicContact CH2-CZ2 4.46Å; W54-W90 AromaticContact CH2-CZ3 3.63Å; W54-W90 HydrophobicContact CH2-CZ3 3.63Å; W54-W90 AromaticContact CZ3-CH2 3.8Å; W54-W90 HydrophobicContact CZ3-CH2 3.8Å; W54-W90 AromaticContact CZ3-CZ3 3.76Å; W54-W90 HydrophobicContact CZ3-CZ3 3.76Å; W54-C91 HydrophobicContact CZ2-CB 4.38Å; W54-Y92 AromaticContact CE3-CD2 3.89Å; W54-Y92 HydrophobicContact CE3-CD2 3.89Å; W54-Y92 AromaticContact CE3-CE2 3.81Å; W54-Y92 HydrophobicContact CE3-CE2 3.81Å; W54-Y92 HydrophobicContact CH2-CD2 4.43Å; W54-Y92 HydrophobicContact CH2-CE2 4.48Å; W54-Y92 AromaticContact CZ3-CD2 3.6Å; W54-Y92 HydrophobicContact CZ3-CD2 3.6Å; W54-Y92 AromaticContact CZ3-CE2 3.42Å; W54-Y92 HydrophobicContact CZ3-CE2 3.42Å; W54-Y92 VanDerWaalsContact CZ3-CE2 3.42Å
55	N	96.6	Very high	93.9	Very high	39 Å²	39	66.1 Å²	66.1	21%	0.209	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	9.7	175.9	69.6	-75.1	0	0	0	114	F53 F58 T64 S76	F53-N55 WeakPolarHBondContact CB-OD1 3.41Å; F53-N55 WeakPolarHBondContact CD1-OD1 3.48Å; F53-N55 PolarHBondContact O-N 2.83Å; F53-N55 VanDerWaalsContact O-N 3.14Å; N55-F58 WeakPolarHBondContact O-CE2 3.24Å; N55-F58 WeakPolarHBondContact O-CZ 3.43Å; N55-T64 WeakPolarHBondContact CA-OG1 3.49Å; N55-T64 HydrophobicContact CB-CG2 3.98Å; N55-T64 WeakPolarHBondContact CB-OG1 3.29Å; N55-S76 WeakPolarHBondContact OD1-CA 3.22Å
56	E	95.3	Very high	94.1	Very high	123 Å²	123	67.1 Å²	67.1	58%	0.575	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-13.8	177.3	-62	179.6	-171.8	0	0	111.8	F53 W54 F58	F53-E56 HydrophobicContact CB-CB 4.22Å; F53-E56 HydrophobicContact CB-CG 4.04Å; F53-E56 PolarHBondContact O-N 2.71Å; W54-E56 VanDerWaalsContact C-N 3.34Å; E56-F58 VanDerWaalsContact C-N 3.25Å; E56-F58 PolarHBondContact O-N 2.85Å; E56-F58 VanDerWaalsContact O-N 3.09Å
57	T	92.9	Very high	94.3	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	33%	0.332	C	S	.	.			trans	-86	45.9	-178.6	52.4	0	0	0	0	113.4	L52 F53 W54 Q59 H60 Y92	L52-T57 HydrophobicContact CB-CG2 3.77Å; L52-T57 HydrophobicContact CD1-CG2 4.16Å; F53-T57 WeakPolarHBondContact O-CG2 3.42Å; F53-T57 PolarHBondContact O-N 2.64Å; F53-T57 PolarHBondContact O-OG1 2.81Å; W54-T57 PolarHBondContact O-OG1 2.87Å; T57-Q59 VanDerWaalsContact C-OE1 3.27Å; T57-Q59 PolarHBondContact O-N 3.36Å; T57-H60 PolarHBondContact O-N 2.91Å; T57-Y92 HydrophobicContact CG2-CD2 3.72Å; T57-Y92 HydrophobicContact CG2-CG 4.18Å
58	F	92.6	Very high	94.5	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.5	-176.7	-56.7	-60.5	0	0	0	114.1	N55 E56 H60 N63 L65	N55-F58 WeakPolarHBondContact O-CE2 3.24Å; N55-F58 WeakPolarHBondContact O-CZ 3.43Å; E56-F58 VanDerWaalsContact C-N 3.25Å; E56-F58 PolarHBondContact O-N 2.85Å; E56-F58 VanDerWaalsContact O-N 3.09Å; F58-H60 PolarHBondContact O-N 2.84Å; F58-N63 HydrophobicContact CD1-CB 4.35Å; F58-L65 HydrophobicContact CD1-CB 3.81Å; F58-L65 HydrophobicContact CD1-CD2 4.31Å; F58-L65 HydrophobicContact CE1-CB 3.78Å
59	Q	91.9	Very high	94.6	Very high	132 Å²	132	66.4 Å²	66.4	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.1	173.5	70.2	-82.2	17.6	0	0	113.2	T57	T57-Q59 VanDerWaalsContact C-OE1 3.27Å; T57-Q59 PolarHBondContact O-N 3.36Å
60	H	93	Very high	94.5	Very high	36 Å²	36	66.2 Å²	66.2	17%	0.167	35%	0.347	C	S	.	.	S	Bend	trans	-104.7	158.8	-175.4	-60.1	-59	0	0	0	112.7	T57 F58 Y62 N63 Y92 Y101	T57-H60 PolarHBondContact O-N 2.91Å; F58-H60 PolarHBondContact O-N 2.84Å; H60-Y62 VanDerWaalsContact C-N 3.26Å; H60-Y62 PolarHBondContact O-N 2.79Å; H60-N63 PolarHBondContact O-ND2 2.93Å; H60-Y92 HydrophobicContact CB-CD1 4.34Å; H60-Y92 HydrophobicContact CB-CD2 4.44Å; H60-Y92 HydrophobicContact CB-CE1 3.65Å; H60-Y92 HydrophobicContact CB-CE2 3.72Å; H60-Y92 WeakPolarHBondContact CB-OH 3.43Å; H60-Y92 AromaticContact CD2-CD1 3.8Å; H60-Y92 AromaticContact CD2-CE1 3.98Å; H60-Y92 AromaticContact CD2-CG 3.93Å; H60-Y92 AromaticContact CG-CD1 3.99Å; H60-Y92 AromaticContact CG-CE1 3.7Å; H60-Y92 AromaticContact CG-CZ 3.85Å; H60-Y101 AromaticContact CE1-CD2 3.42Å; H60-Y101 VanDerWaalsContact CE1-CD2 3.42Å; H60-Y101 WeakPolarHBondContact CE1-CD2 3.3Å; H60-Y101 AromaticContact CE1-CG 3.96Å; H60-Y101 AromaticContact ND1-CD2 3.6Å; H60-Y101 AromaticContact ND1-CE2 3.76Å
61	P	94.4	Very high	94.4	Very high	70 Å²	70	66.1 Å²	66.1	46%	0.455	34%	0.338	S	S	.	.	S	Bend	trans	-64.6	-20.3	-173	-24.6	35.2	0	0	0	116.2	K66	P61-K66 VanDerWaalsContact O-CD 3.29Å; P61-K66 WeakPolarHBondContact O-CD 3.5Å; P61-K66 PolarHBondContact O-NZ 2.89Å
62	Y	95.7	Very high	94.1	Very high	51 Å²	51	67 Å²	67	20%	0.2	35%	0.349	C	S	.	.	S	Bend	trans	-118	111.7	-179	-66.3	-84.7	0	0	0	110.2	H60 Y67 P83 D84 W90 Y92	H60-Y62 VanDerWaalsContact C-N 3.26Å; H60-Y62 PolarHBondContact O-N 2.79Å; Y62-Y67 HydrophobicContact CD1-CD2 4.25Å; Y62-Y67 AromaticContact CD1-CE2 3.53Å; Y62-Y67 HydrophobicContact CD1-CE2 3.53Å; Y62-Y67 AromaticContact CD1-CZ 3.95Å; Y62-Y67 AromaticContact CE1-CE2 3.97Å; Y62-Y67 HydrophobicContact CE1-CE2 3.97Å; Y62-Y67 AromaticContact CE1-CZ 3.91Å; Y62-Y67 HydrophobicContact CG-CE2 4.35Å; Y62-P83 HydrophobicContact CD1-CB 3.71Å; Y62-P83 HydrophobicContact CD1-CG 3.62Å; Y62-P83 HydrophobicContact CE1-CB 4.16Å; Y62-P83 HydrophobicContact CE1-CG 4.23Å; Y62-P83 HydrophobicContact CG-CB 4.4Å; Y62-P83 HydrophobicContact CG-CG 3.82Å; Y62-D84 HydrophobicContact CE1-CB 3.96Å; Y62-D84 HydrophobicContact CE2-CB 3.68Å; Y62-D84 WeakPolarHBondContact OH-CB 3.31Å; Y62-W90 HydrophobicContact CD2-CH2 4.12Å; Y62-W90 HydrophobicContact CD2-CZ2 4.08Å; Y62-W90 HydrophobicContact CG-CH2 4.49Å; Y62-W90 HydrophobicContact CG-CZ2 4.49Å; Y62-Y92 PolarHBondContact N-OH 3.14Å; Y62-Y92 WeakPolarHBondContact O-CE2 3.36Å
63	N	95.8	Very high	94	Very high	9 Å²	9	65.1 Å²	65.1	5%	0.048	34%	0.342	C	S	.	.	S	Bend	trans	-159.9	166.6	-179.3	60.4	65.7	0	0	0	109.9	W54 F58 H60 L65 K66 Y67	W54-N63 VanDerWaalsContact O-CA 3.27Å; W54-N63 WeakPolarHBondContact O-CA 3.33Å; W54-N63 WeakPolarHBondContact O-CB 3.21Å; F58-N63 HydrophobicContact CD1-CB 4.35Å; H60-N63 PolarHBondContact O-ND2 2.93Å; N63-L65 VanDerWaalsContact C-N 3.28Å; N63-L65 PolarHBondContact O-N 2.85Å; N63-L65 WeakPolarHBondContact OD1-CB 3.41Å; N63-L65 PolarHBondContact OD1-N 3.17Å; N63-K66 PolarHBondContact O-N 3.21Å; N63-K66 PolarHBondContact OD1-N 2.85Å; N63-Y67 PolarHBondContact O-N 3.29Å
64	T	95.5	Very high	94	Very high	31 Å²	31	61.8 Å²	61.8	19%	0.19	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21	-177.2	58.5	0	0	0	0	114.1	W54 N55 Y67 P68 G75	W54-T64 HydrophobicContact CB-CG2 4.33Å; W54-T64 PolarHBondContact O-N 2.9Å; W54-T64 VanDerWaalsContact O-N 3.12Å; N55-T64 WeakPolarHBondContact CA-OG1 3.49Å; N55-T64 HydrophobicContact CB-CG2 3.98Å; N55-T64 WeakPolarHBondContact CB-OG1 3.29Å; T64-Y67 CarbonylContact O-C 3.6Å; T64-P68 VanDerWaalsContact O-CA 3.22Å; T64-P68 WeakPolarHBondContact O-CA 3.48Å; T64-G75 WeakPolarHBondContact CG2-O 3.32Å
65	L	94.6	Very high	93.9	Very high	132 Å²	132	62.6 Å²	62.6	69%	0.691	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-39.1	176.3	-177.8	65.8	0	0	0	111.2	F58 N63	F58-L65 HydrophobicContact CD1-CB 3.81Å; F58-L65 HydrophobicContact CD1-CD2 4.31Å; F58-L65 HydrophobicContact CE1-CB 3.78Å; N63-L65 VanDerWaalsContact C-N 3.28Å; N63-L65 PolarHBondContact O-N 2.85Å; N63-L65 WeakPolarHBondContact OD1-CB 3.41Å; N63-L65 PolarHBondContact OD1-N 3.17Å
66	K	94.6	Very high	93.9	Very high	111 Å²	111	65.7 Å²	65.7	48%	0.483	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.9	177.2	-174.2	174.1	160.6	-156.9	0	112.8	P61 N63 P68	P61-K66 VanDerWaalsContact O-CD 3.29Å; P61-K66 WeakPolarHBondContact O-CD 3.5Å; P61-K66 PolarHBondContact O-NZ 2.89Å; N63-K66 PolarHBondContact O-N 3.21Å; N63-K66 PolarHBondContact OD1-N 2.85Å; K66-P68 VanDerWaalsContact C-CD 3.5Å; K66-P68 WeakPolarHBondContact O-CD 3.24Å
67	Y	93.9	Very high	94	Very high	48 Å²	48	61.3 Å²	61.3	19%	0.188	34%	0.34	C	S	.	.	S	Bend	trans	-124	71.4	-178.6	-62.1	-80.4	0	0	0	110.9	Y62 N63 T64 N69 E71 L74	Y62-Y67 HydrophobicContact CD1-CD2 4.25Å; Y62-Y67 AromaticContact CD1-CE2 3.53Å; Y62-Y67 HydrophobicContact CD1-CE2 3.53Å; Y62-Y67 AromaticContact CD1-CZ 3.95Å; Y62-Y67 AromaticContact CE1-CE2 3.97Å; Y62-Y67 HydrophobicContact CE1-CE2 3.97Å; Y62-Y67 AromaticContact CE1-CZ 3.91Å; Y62-Y67 HydrophobicContact CG-CE2 4.35Å; N63-Y67 PolarHBondContact O-N 3.29Å; T64-Y67 CarbonylContact O-C 3.6Å; Y67-N69 PolarHBondContact O-N 3.27Å; Y67-E71 HydrophobicContact CD1-CB 4.02Å; Y67-E71 WeakPolarHBondContact CD1-OE2 2.97Å; Y67-L74 HydrophobicContact CD2-CD1 3.95Å; Y67-L74 HydrophobicContact CG-CD1 4.19Å
68	P	90.4	Very high	94.2	Very high	89 Å²	89	62.1 Å²	62.1	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.2	-168.2	28.9	-36.3	0	0	0	114.7	T64 K66 G70	T64-P68 VanDerWaalsContact O-CA 3.22Å; T64-P68 WeakPolarHBondContact O-CA 3.48Å; K66-P68 VanDerWaalsContact C-CD 3.5Å; K66-P68 WeakPolarHBondContact O-CD 3.24Å; P68-G70 VanDerWaalsContact C-N 3.3Å; P68-G70 PolarHBondContact O-N 2.99Å
69	N	91.8	Very high	94.5	Very high	134 Å²	134	59.9 Å²	59.9	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	18.4	-171.6	-55	-49.6	0	0	0	113.8	Y67 E71	Y67-N69 PolarHBondContact O-N 3.27Å; N69-E71 VanDerWaalsContact C-N 3.28Å; N69-E71 HydrophobicContact CB-CG 4.5Å; N69-E71 PolarHBondContact O-N 2.93Å
70	G	90.1	Very high	94.8	Very high	37 Å²	37	53.6 Å²	53.6	38%	0.381	30%	0.303	S	S	.	.			trans	72.4	20.9	-174.4	0	0	0	0	0	114.1	P68 G72 G73 L74	P68-G70 VanDerWaalsContact C-N 3.3Å; P68-G70 PolarHBondContact O-N 2.99Å; G70-G72 PolarHBondContact O-N 3.03Å; G70-G73 WeakPolarHBondContact O-CA 3.37Å; G70-G73 PolarHBondContact O-N 2.92Å; G70-L74 WeakPolarHBondContact CA-O 3.18Å
71	E	93.2	Very high	95.1	Very high	96 Å²	96	52.3 Å²	52.3	45%	0.449	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.5	134.4	174.2	-65.8	170	-139.3	0	0	109.9	Y67 N69 G73 L74	Y67-E71 HydrophobicContact CD1-CB 4.02Å; Y67-E71 WeakPolarHBondContact CD1-OE2 2.97Å; N69-E71 VanDerWaalsContact C-N 3.28Å; N69-E71 HydrophobicContact CB-CG 4.5Å; N69-E71 PolarHBondContact O-N 2.93Å; E71-G73 PolarHBondContact O-N 2.86Å; E71-G73 VanDerWaalsContact O-N 3.15Å; E71-L74 WeakPolarHBondContact O-CG 3.15Å; E71-L74 PolarHBondContact O-N 3.37Å
72	G	92.1	Very high	95.2	Very high	27 Å²	27	49 Å²	49	28%	0.278	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	66.3	9.2	-174.3	0	0	0	0	0	114.9	G70 L74	G70-G72 PolarHBondContact O-N 3.03Å; G72-L74 VanDerWaalsContact C-N 3.34Å
73	G	95	Very high	95.3	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	73.4	25.2	-176.7	0	0	0	0	0	113.7	G70 E71 H77 R81	G70-G73 WeakPolarHBondContact O-CA 3.37Å; G70-G73 PolarHBondContact O-N 2.92Å; E71-G73 PolarHBondContact O-N 2.86Å; E71-G73 VanDerWaalsContact O-N 3.15Å; G73-H77 PolarHBondContact O-CE1 3.08Å; G73-H77 VanDerWaalsContact O-CE1 3.23Å; G73-H77 PolarHBondContact O-NE2 2.86Å; G73-H77 VanDerWaalsContact O-NE2 3.14Å; G73-R81 WeakPolarHBondContact O-CD 3.4Å; G73-R81 PolarHBondContact O-NE 3.37Å
74	L	97	Very high	95.3	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.042	29%	0.286	C	S	.	.			trans	-78.7	144.9	174.5	-59.3	-177.7	0	0	0	111.1	W54 Y67 G70 E71 G72 R81 P83	W54-L74 HydrophobicContact CB-CD2 4.34Å; W54-L74 HydrophobicContact CD2-CD2 3.51Å; W54-L74 HydrophobicContact CE3-CD2 3.74Å; W54-L74 HydrophobicContact CG-CD2 3.78Å; W54-L74 HydrophobicContact CZ2-CD2 4.34Å; W54-L74 HydrophobicContact CZ3-CD2 4.22Å; Y67-L74 HydrophobicContact CD2-CD1 3.95Å; Y67-L74 HydrophobicContact CG-CD1 4.19Å; G70-L74 WeakPolarHBondContact CA-O 3.18Å; E71-L74 WeakPolarHBondContact O-CG 3.15Å; E71-L74 PolarHBondContact O-N 3.37Å; G72-L74 VanDerWaalsContact C-N 3.34Å; L74-R81 HydrophobicContact CD2-CB 4.31Å; L74-R81 HydrophobicContact CD2-CG 4.39Å; L74-P83 HydrophobicContact CD1-CB 4.11Å; L74-P83 HydrophobicContact CD2-CB 4.2Å; L74-P83 HydrophobicContact CD2-CG 4.2Å; L74-P83 HydrophobicContact CG-CB 4.21Å
75	G	95.6	Very high	95.3	Very high	17 Å²	17	49 Å²	49	18%	0.175	28%	0.282	C	S	.	.	S	Bend	trans	-171.7	-168.5	-177.8	0	0	0	0	0	112.8	T64 H77	T64-G75 WeakPolarHBondContact CG2-O 3.32Å; G75-H77 PolarHBondContact O-N 3.07Å
76	S	96.6	Very high	95.4	Very high	104 Å²	104	44.7 Å²	44.7	73%	0.727	26%	0.259	S	S	*	.	S	Bend	trans	-75.5	59.1	175.7	-60.8	0	0	0	0	112	N55	N55-S76 WeakPolarHBondContact OD1-CA 3.22Å
77	H	97.6	Very high	95.5	Very high	31 Å²	31	39.5 Å²	39.5	14%	0.144	24%	0.237	C	C	.	.	S	Bend	trans	-151.7	172.6	179.6	60	69.7	0	0	0	110.7	F53 W54 G73 G75 Y79	F53-H77 VanDerWaalsContact CD1-C 3.44Å; W54-H77 AromaticContact CD1-CE1 3.64Å; W54-H77 AromaticContact CD1-ND1 3.47Å; W54-H77 PolarHBondContact N-O 2.81Å; W54-H77 AromaticContact NE1-CE1 3.96Å; W54-H77 AromaticContact NE1-ND1 3.87Å; G73-H77 PolarHBondContact O-CE1 3.08Å; G73-H77 VanDerWaalsContact O-CE1 3.23Å; G73-H77 PolarHBondContact O-NE2 2.86Å; G73-H77 VanDerWaalsContact O-NE2 3.14Å; G75-H77 PolarHBondContact O-N 3.07Å; H77-Y79 HydrophobicContact CB-CD2 3.49Å; H77-Y79 VanDerWaalsContact CB-CD2 3.49Å; H77-Y79 HydrophobicContact CB-CE2 3.45Å; H77-Y79 VanDerWaalsContact CB-CE2 3.45Å; H77-Y79 HydrophobicContact CB-CG 4.14Å; H77-Y79 AromaticContact CD2-CD2 3.82Å; H77-Y79 AromaticContact CG-CD2 3.31Å; H77-Y79 AromaticContact CG-CE2 3.74Å; H77-Y79 AromaticContact ND1-CD2 3.46Å; H77-Y79 WeakPolarHBondContact ND1-CD2 3.3Å; H77-Y79 AromaticContact ND1-CG 3.83Å; H77-Y79 PolarHBondContact ND1-N 2.86Å
78	N	97.8	Very high	95.6	Very high	19 Å²	19	38 Å²	38	10%	0.102	23%	0.232	C	C	.	.			trans	-118.2	20.7	175.9	65.6	-22.4	0	0	0	113.2	N41 C51 L52 F53	N41-N78 VanDerWaalsContact CB-OD1 3.31Å; N41-N78 WeakPolarHBondContact CB-OD1 2.93Å; C51-N78 HydrophobicContact CB-CB 4.24Å; C51-N78 WeakPolarHBondContact CB-O 3.34Å; C51-N78 WeakPolarHBondContact O-CB 3.32Å; C51-N78 PolarHBondContact O-ND2 2.88Å; L52-N78 VanDerWaalsContact O-CB 3.29Å; L52-N78 WeakPolarHBondContact O-CB 3.47Å; F53-N78 HydrophobicContact CB-CB 4.46Å; F53-N78 HydrophobicContact CD1-CB 4.21Å; F53-N78 HydrophobicContact CD2-CB 3.81Å; F53-N78 HydrophobicContact CE1-CB 4.41Å; F53-N78 HydrophobicContact CE2-CB 4.01Å; F53-N78 HydrophobicContact CG-CB 3.9Å; F53-N78 HydrophobicContact CZ-CB 4.31Å
79	Y	98.4	Very high	95.9	Very high	65 Å²	65	33.9 Å²	33.9	26%	0.255	21%	0.205	S	C	.	.			trans	-66.3	145	177.4	-49.5	-45.7	0	0	0	112.5	F39 Q40 N41 W54 H77	F39-Y79 VanDerWaalsContact C-CD1 3.41Å; F39-Y79 HydrophobicContact CB-CD1 4.28Å; F39-Y79 HydrophobicContact CB-CE1 4.05Å; F39-Y79 HydrophobicContact CD1-CD2 4.22Å; F39-Y79 HydrophobicContact CD1-CE1 4.31Å; F39-Y79 AromaticContact CD1-CE2 3.68Å; F39-Y79 HydrophobicContact CD1-CE2 3.68Å; F39-Y79 AromaticContact CD1-CZ 3.73Å; F39-Y79 HydrophobicContact CE1-CE2 4.35Å; F39-Y79 WeakPolarHBondContact O-CD1 3.45Å; F39-Y79 VanDerWaalsContact O-CE1 3.3Å; F39-Y79 WeakPolarHBondContact O-CE1 3.22Å; Q40-Y79 CarbonylContact O-C 2.94Å; Q40-Y79 VanDerWaalsContact O-CA 3.22Å; Q40-Y79 WeakPolarHBondContact O-CA 3.4Å; N41-Y79 HydrophobicContact CB-CD1 3.95Å; N41-Y79 HydrophobicContact CB-CE1 4.37Å; W54-Y79 PolarHBondContact NE1-O 3.25Å; H77-Y79 HydrophobicContact CB-CD2 3.49Å; H77-Y79 VanDerWaalsContact CB-CD2 3.49Å; H77-Y79 HydrophobicContact CB-CE2 3.45Å; H77-Y79 VanDerWaalsContact CB-CE2 3.45Å; H77-Y79 HydrophobicContact CB-CG 4.14Å; H77-Y79 AromaticContact CD2-CD2 3.82Å; H77-Y79 AromaticContact CG-CD2 3.31Å; H77-Y79 AromaticContact CG-CE2 3.74Å; H77-Y79 AromaticContact ND1-CD2 3.46Å; H77-Y79 WeakPolarHBondContact ND1-CD2 3.3Å; H77-Y79 AromaticContact ND1-CG 3.83Å; H77-Y79 PolarHBondContact ND1-N 2.86Å
80	C	98.2	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.			trans	-56.5	136.5	174.1	-61.4	0	0	0	0	111.2	Y36 Q40 P89 C105 I107	Y36-C80 VanDerWaalsContact CD1-O 3.3Å; Y36-C80 WeakPolarHBondContact CD1-O 3.15Å; Y36-C80 HydrophobicContact CE1-CB 4.39Å; Q40-C80 PolarHBondContact O-N 2.77Å; Q40-C80 PolarHBondContact O-SG 2.83Å; C80-P89 HydrophobicContact CB-CB 4.34Å; C80-C105 HydrophobicContact CB-CB 3.6Å; C80-C105 WeakPolarHBondContact CB-SG 3.42Å; C80-C105 WeakPolarHBondContact SG-CB 3.32Å; C80-C105 CovalentContact SG-SG 2.03Å; C80-C105 PolarHBondContact SG-SG 2.8Å; C80-I107 HydrophobicContact CB-CD1 3.85Å
81	R	98.2	Very high	96.5	Very high	9 Å²	9	26.1 Å²	26.1	3%	0.034	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-145.3	166.5	179.9	-66.7	-64	177.7	-103.9	7.2	109.9	R37 G38 W54 G73 L74 P89 W90	R37-R81 PolarHBondContact O-NH2 3.47Å; G38-R81 PolarHBondContact O-NH1 3.41Å; G38-R81 PolarHBondContact O-NH2 3.47Å; W54-R81 HydrophobicContact CZ2-CB 3.92Å; W54-R81 HydrophobicContact CZ2-CG 4.36Å; G73-R81 WeakPolarHBondContact O-CD 3.4Å; G73-R81 PolarHBondContact O-NE 3.37Å; L74-R81 HydrophobicContact CD2-CB 4.31Å; L74-R81 HydrophobicContact CD2-CG 4.39Å; R81-P89 WeakPolarHBondContact O-CA 3.29Å; R81-W90 PolarHBondContact N-O 3.38Å; R81-W90 PolarHBondContact O-N 3.02Å
82	N	97.8	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.			trans	-128.1	73.7	172.7	-177.1	1	0	0	0	109.6	N32 D84 G85 D86 P89	N32-N82 PolarHBondContact ND2-ND2 2.77Å; N32-N82 PolarHBondContact O-ND2 2.95Å; N82-D84 VanDerWaalsContact C-N 3.32Å; N82-D84 PolarHBondContact OD1-OD1 2.85Å; N82-G85 VanDerWaalsContact OD1-CA 3.29Å; N82-G85 WeakPolarHBondContact OD1-CA 3.46Å; N82-G85 PolarHBondContact OD1-N 3.36Å; N82-D86 PolarHBondContact ND2-O 3.44Å; N82-D86 PolarHBondContact OD1-N 2.96Å; N82-P89 HydrophobicContact CB-CB 4.49Å; N82-P89 HydrophobicContact CB-CG 4.41Å
83	P	97	Very high	96.8	Very high	23 Å²	23	20.7 Å²	20.7	15%	0.149	12%	0.121	C	C	.	.	S	Bend	trans	-79.4	-14.5	-176	34.2	-37.8	0	0	0	113.6	Y62 L74 W90	Y62-P83 HydrophobicContact CD1-CB 3.71Å; Y62-P83 HydrophobicContact CD1-CG 3.62Å; Y62-P83 HydrophobicContact CE1-CB 4.16Å; Y62-P83 HydrophobicContact CE1-CG 4.23Å; Y62-P83 HydrophobicContact CG-CB 4.4Å; Y62-P83 HydrophobicContact CG-CG 3.82Å; L74-P83 HydrophobicContact CD1-CB 4.11Å; L74-P83 HydrophobicContact CD2-CB 4.2Å; L74-P83 HydrophobicContact CD2-CG 4.2Å; L74-P83 HydrophobicContact CG-CB 4.21Å; P83-W90 HydrophobicContact CG-CZ2 4Å
84	D	95.6	Very high	96.4	Very high	61 Å²	61	23.4 Å²	23.4	33%	0.326	14%	0.143	S	C	.	.	S	Bend	trans	-101.8	-10.9	-176.3	56.6	-17.3	0	0	0	114.1	Y62 N82 W90	Y62-D84 HydrophobicContact CE1-CB 3.96Å; Y62-D84 HydrophobicContact CE2-CB 3.68Å; Y62-D84 WeakPolarHBondContact OH-CB 3.31Å; N82-D84 VanDerWaalsContact C-N 3.32Å; N82-D84 PolarHBondContact OD1-OD1 2.85Å; D84-W90 PolarHBondContact OD1-NE1 3.23Å; D84-W90 PolarHBondContact OD2-NE1 3.42Å
85	G	95.4	Very high	95.1	Very high	9 Å²	9	25.5 Å²	25.5	9%	0.093	15%	0.154	C	C	.	.			trans	76.9	28.5	-178.4	0	0	0	0	0	112.4	N82 T191	N82-G85 VanDerWaalsContact OD1-CA 3.29Å; N82-G85 WeakPolarHBondContact OD1-CA 3.46Å; N82-G85 PolarHBondContact OD1-N 3.36Å; G85-T191 WeakPolarHBondContact O-CA 3.47Å; G85-T191 VanDerWaalsContact O-CB 3.28Å; G85-T191 WeakPolarHBondContact O-CB 3.45Å; G85-T191 WeakPolarHBondContact O-CG2 3.38Å
86	D	97	Very high	93.5	Very high	40 Å²	40	33.6 Å²	33.6	21%	0.214	19%	0.187	C	C	.	.			trans	-64.3	177.9	169.3	-144.7	-37.3	0	0	0	110.5	N32 N82 Q88 Y104	N32-D86 VanDerWaalsContact CB-O 3.28Å; N32-D86 WeakPolarHBondContact CB-O 3.39Å; N32-D86 PolarHBondContact ND2-O 3.15Å; N82-D86 PolarHBondContact ND2-O 3.44Å; N82-D86 PolarHBondContact OD1-N 2.96Å; D86-Q88 VanDerWaalsContact C-N 3.29Å; D86-Q88 PolarHBondContact O-N 2.76Å; D86-Y104 HydrophobicContact CB-CE1 4.45Å; D86-Y104 VanDerWaalsContact CG-OH 3.28Å; D86-Y104 PolarHBondContact OD1-OH 3.29Å; D86-Y104 PolarHBondContact OD2-OH 2.85Å
87	V	96.6	Very high	92	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.191	C	C	.	.	S	Bend	trans	-74.3	-14.5	-172.9	-60.8	0	0	0	0	114.5	N32 Y104 N183 V185 Q192 P193	N32-V87 VanDerWaalsContact CA-O 3.26Å; N32-V87 WeakPolarHBondContact CA-O 3.48Å; N32-V87 WeakPolarHBondContact CB-O 3.27Å; V87-Y104 HydrophobicContact CG2-CE1 4.3Å; V87-N183 HydrophobicContact CG2-CB 3.87Å; V87-V185 HydrophobicContact CG1-CG1 3.75Å; V87-Q192 WeakPolarHBondContact CG1-O 3.35Å; V87-P193 HydrophobicContact CB-CB 4.22Å
88	Q	95.8	Very high	90.3	Very high	18 Å²	18	38.2 Å²	38.2	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-156.4	154.5	-179.1	-170.7	172.2	43.7	0	0	111	N32 D86 Y104 C105 S179 N183	N32-Q88 WeakPolarHBondContact O-CA 3.33Å; D86-Q88 VanDerWaalsContact C-N 3.29Å; D86-Q88 PolarHBondContact O-N 2.76Å; Q88-Y104 HydrophobicContact CB-CD1 3.86Å; Q88-Y104 HydrophobicContact CB-CE1 4.28Å; Q88-Y104 HydrophobicContact CB-CG 4.46Å; Q88-C105 PolarHBondContact NE2-O 2.74Å; Q88-S179 PolarHBondContact NE2-OG 2.56Å; Q88-N183 PolarHBondContact OE1-ND2 2.91Å
89	P	97.8	Very high	89.1	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.013	24%	0.24	C	C	.	.			trans	-57.9	145.2	170.1	-24.7	37	0	0	0	113.3	N32 C80 R81 N82 C105 I107	N32-P89 WeakPolarHBondContact O-CD 3.29Å; C80-P89 HydrophobicContact CB-CB 4.34Å; R81-P89 WeakPolarHBondContact O-CA 3.29Å; N82-P89 HydrophobicContact CB-CB 4.49Å; N82-P89 HydrophobicContact CB-CG 4.41Å; P89-C105 PolarHBondContact O-N 3.32Å; P89-I107 HydrophobicContact CB-CD1 3.73Å; P89-I107 HydrophobicContact CG-CD1 4.05Å
90	W	97.3	Very high	88.5	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	173.1	-176.8	60.1	-93.1	0	0	0	111.1	W54 Y62 R81 P83 D84 Y92 W102 K103 Y104	W54-W90 HydrophobicContact CH2-CD2 4.48Å; W54-W90 AromaticContact CH2-CE3 3.97Å; W54-W90 HydrophobicContact CH2-CE3 3.97Å; W54-W90 AromaticContact CH2-CH2 3.9Å; W54-W90 HydrophobicContact CH2-CH2 3.9Å; W54-W90 HydrophobicContact CH2-CZ2 4.46Å; W54-W90 AromaticContact CH2-CZ3 3.63Å; W54-W90 HydrophobicContact CH2-CZ3 3.63Å; W54-W90 AromaticContact CZ3-CH2 3.8Å; W54-W90 HydrophobicContact CZ3-CH2 3.8Å; W54-W90 AromaticContact CZ3-CZ3 3.76Å; W54-W90 HydrophobicContact CZ3-CZ3 3.76Å; Y62-W90 HydrophobicContact CD2-CH2 4.12Å; Y62-W90 HydrophobicContact CD2-CZ2 4.08Å; Y62-W90 HydrophobicContact CG-CH2 4.49Å; Y62-W90 HydrophobicContact CG-CZ2 4.49Å; R81-W90 PolarHBondContact N-O 3.38Å; R81-W90 PolarHBondContact O-N 3.02Å; P83-W90 HydrophobicContact CG-CZ2 4Å; D84-W90 PolarHBondContact OD1-NE1 3.23Å; D84-W90 PolarHBondContact OD2-NE1 3.42Å; W90-Y92 AromaticContact CH2-CE1 3.83Å; W90-Y92 HydrophobicContact CH2-CE1 3.83Å; W90-Y92 AromaticContact CH2-CE2 4Å; W90-Y92 HydrophobicContact CH2-CE2 4Å; W90-Y92 AromaticContact CH2-CZ 3.49Å; W90-Y92 VanDerWaalsContact CH2-CZ 3.49Å; W90-Y92 WeakPolarHBondContact CH2-OH 3.44Å; W90-Y92 AromaticContact CZ3-CD1 3.79Å; W90-Y92 HydrophobicContact CZ3-CD1 3.79Å; W90-Y92 HydrophobicContact CZ3-CD2 4.14Å; W90-Y92 AromaticContact CZ3-CE1 3.44Å; W90-Y92 HydrophobicContact CZ3-CE1 3.44Å; W90-Y92 VanDerWaalsContact CZ3-CE1 3.44Å; W90-Y92 AromaticContact CZ3-CE2 3.86Å; W90-Y92 HydrophobicContact CZ3-CE2 3.86Å; W90-Y92 HydrophobicContact CZ3-CG 4.11Å; W90-Y92 AromaticContact CZ3-CZ 3.49Å; W90-Y92 VanDerWaalsContact CZ3-CZ 3.49Å; W90-W102 HydrophobicContact CB-CE3 4.22Å; W90-W102 HydrophobicContact CE3-CB 4.15Å; W90-W102 HydrophobicContact CG-CE3 4.41Å; W90-W102 HydrophobicContact CZ3-CB 4.4Å; W90-K103 WeakPolarHBondContact CA-O 3.31Å; W90-K103 VanDerWaalsContact CB-O 3.3Å; W90-K103 WeakPolarHBondContact CB-O 3.22Å; W90-Y104 HydrophobicContact CB-CD1 3.96Å
91	C	97.5	Very high	88.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.2	170.7	71.7	0	0	0	0	111.8	C51 W54 W102 K103	C51-C91 VanDerWaalsContact CA-SG 3.56Å; C51-C91 HydrophobicContact CB-CB 3.5Å; C51-C91 WeakPolarHBondContact CB-SG 3Å; C51-C91 WeakPolarHBondContact SG-CB 3.5Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.73Å; W54-C91 HydrophobicContact CZ2-CB 4.38Å; C91-W102 WeakPolarHBondContact O-CA 3.39Å; C91-K103 PolarHBondContact N-O 2.57Å; C91-K103 VanDerWaalsContact N-O 3.09Å; C91-K103 PolarHBondContact O-N 2.94Å; C91-K103 VanDerWaalsContact O-N 3.1Å
92	Y	96.5	Very high	87.9	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.5	169.2	-64.8	-59.3	0	0	0	110.8	C51 L52 W54 T57 H60 Y62 W90 Y101 W102	C51-Y92 CarbonylContact C-O 3.3Å; C51-Y92 WeakPolarHBondContact CA-O 3.5Å; L52-Y92 PolarHBondContact N-O 2.67Å; W54-Y92 AromaticContact CE3-CD2 3.89Å; W54-Y92 HydrophobicContact CE3-CD2 3.89Å; W54-Y92 AromaticContact CE3-CE2 3.81Å; W54-Y92 HydrophobicContact CE3-CE2 3.81Å; W54-Y92 HydrophobicContact CH2-CD2 4.43Å; W54-Y92 HydrophobicContact CH2-CE2 4.48Å; W54-Y92 AromaticContact CZ3-CD2 3.6Å; W54-Y92 HydrophobicContact CZ3-CD2 3.6Å; W54-Y92 AromaticContact CZ3-CE2 3.42Å; W54-Y92 HydrophobicContact CZ3-CE2 3.42Å; W54-Y92 VanDerWaalsContact CZ3-CE2 3.42Å; T57-Y92 HydrophobicContact CG2-CD2 3.72Å; T57-Y92 HydrophobicContact CG2-CG 4.18Å; H60-Y92 HydrophobicContact CB-CD1 4.34Å; H60-Y92 HydrophobicContact CB-CD2 4.44Å; H60-Y92 HydrophobicContact CB-CE1 3.65Å; H60-Y92 HydrophobicContact CB-CE2 3.72Å; H60-Y92 WeakPolarHBondContact CB-OH 3.43Å; H60-Y92 AromaticContact CD2-CD1 3.8Å; H60-Y92 AromaticContact CD2-CE1 3.98Å; H60-Y92 AromaticContact CD2-CG 3.93Å; H60-Y92 AromaticContact CG-CD1 3.99Å; H60-Y92 AromaticContact CG-CE1 3.7Å; H60-Y92 AromaticContact CG-CZ 3.85Å; Y62-Y92 PolarHBondContact N-OH 3.14Å; Y62-Y92 WeakPolarHBondContact O-CE2 3.36Å; W90-Y92 AromaticContact CH2-CE1 3.83Å; W90-Y92 HydrophobicContact CH2-CE1 3.83Å; W90-Y92 AromaticContact CH2-CE2 4Å; W90-Y92 HydrophobicContact CH2-CE2 4Å; W90-Y92 AromaticContact CH2-CZ 3.49Å; W90-Y92 VanDerWaalsContact CH2-CZ 3.49Å; W90-Y92 WeakPolarHBondContact CH2-OH 3.44Å; W90-Y92 AromaticContact CZ3-CD1 3.79Å; W90-Y92 HydrophobicContact CZ3-CD1 3.79Å; W90-Y92 HydrophobicContact CZ3-CD2 4.14Å; W90-Y92 AromaticContact CZ3-CE1 3.44Å; W90-Y92 HydrophobicContact CZ3-CE1 3.44Å; W90-Y92 VanDerWaalsContact CZ3-CE1 3.44Å; W90-Y92 AromaticContact CZ3-CE2 3.86Å; W90-Y92 HydrophobicContact CZ3-CE2 3.86Å; W90-Y92 HydrophobicContact CZ3-CG 4.11Å; W90-Y92 AromaticContact CZ3-CZ 3.49Å; W90-Y92 VanDerWaalsContact CZ3-CZ 3.49Å; Y92-Y101 WeakPolarHBondContact CA-O 3.46Å; Y92-Y101 AromaticContact CD1-CD2 3.88Å; Y92-Y101 HydrophobicContact CD1-CD2 3.88Å; Y92-Y101 HydrophobicContact CD1-CE2 4.26Å; Y92-Y101 AromaticContact CE1-CD2 3.96Å; Y92-Y101 HydrophobicContact CE1-CD2 3.96Å; Y92-Y101 AromaticContact CE1-CE2 3.86Å; Y92-Y101 HydrophobicContact CE1-CE2 3.86Å; Y92-W102 HydrophobicContact CD1-CB 4.03Å; Y92-W102 HydrophobicContact CE1-CB 4.47Å
93	I	94.4	Very high	87.8	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-126.3	150.5	177.9	58.2	162.3	0	0	0	110.7	T43 K49 D95 Y101 K103	T43-I93 HydrophobicContact CG2-CG2 3.93Å; K49-I93 HydrophobicContact CB-CG2 4.05Å; K49-I93 HydrophobicContact CD-CD1 3.83Å; I93-D95 HydrophobicContact CD1-CB 4.28Å; I93-D95 PolarHBondContact O-N 3.23Å; I93-Y101 PolarHBondContact N-O 2.97Å; I93-K103 HydrophobicContact CD1-CD 3.66Å; I93-K103 HydrophobicContact CD1-CG 3.73Å; I93-K103 HydrophobicContact CG1-CG 4.46Å
94	A	86.8	Confident	87.7	Confident	67 Å²	67	57.6 Å²	57.6	55%	0.554	29%	0.294	S	S	*	.			trans	-75.3	-12.3	-177.9	0	0	0	0	0	114	L52	L52-A94 HydrophobicContact CD2-CB 3.89Å
95	D	70.4	Confident	87.7	Confident	52 Å²	52	54.7 Å²	54.7	28%	0.278	28%	0.279	S	S	.	.			trans	-83.2	127	-158.3	-153.5	-18.7	0	0	0	112.5	K49 I93 E97	K49-D95 HydrophobicContact CD-CB 4.15Å; K49-D95 VanDerWaalsContact CE-OD2 3.27Å; K49-D95 WeakPolarHBondContact CE-OD2 3.47Å; K49-D95 IonicContact NZ-OD2 3.85Å; K49-D95 PolarHBondContact NZ-OD2 2.89Å; I93-D95 HydrophobicContact CD1-CB 4.28Å; I93-D95 PolarHBondContact O-N 3.23Å; D95-E97 WeakPolarHBondContact OD1-CB 3.35Å; D95-E97 PolarHBondContact OD1-N 3.36Å
96	H	62	Low	87.7	Confident	187 Å²	187	55.9 Å²	55.9	87%	0.866	28%	0.283	S	S	*	.	S	Bend	trans	-93.6	-5.1	176.1	-66.1	-68.9	0	0	0	112.6
97	E	64.1	Low	87.6	Confident	173 Å²	173	54.3 Å²	54.3	81%	0.808	27%	0.274	S	S	*	.	S	Bend	trans	-78.6	-32.1	177.4	-64	-168.2	172	0	0	112.4	D95	D95-E97 WeakPolarHBondContact OD1-CB 3.35Å; D95-E97 PolarHBondContact OD1-N 3.36Å
98	D	61.2	Low	87.3	Confident	58 Å²	58	58.3 Å²	58.3	31%	0.31	30%	0.3	S	S	.	.	S	Bend	trans	-85.8	135.3	167.3	-72.2	-19	0	0	0	107.8	K49 S100 K103	K49-D98 WeakPolarHBondContact CE-OD2 3.41Å; K49-D98 IonicContact NZ-OD1 3.34Å; K49-D98 IonicContact NZ-OD2 3.99Å; K49-D98 PolarHBondContact NZ-OD2 3.01Å; D98-S100 PolarHBondContact O-N 3.17Å; D98-K103 IonicContact OD2-NZ 2.62Å; D98-K103 PolarHBondContact OD2-NZ 3.07Å
99	V	73.5	Confident	87.1	Confident	160 Å²	160	59.3 Å²	59.3	97%	0.97	31%	0.31	S	S	*	.	S	Bend	trans	-58.9	-7.2	174.2	-178.5	0	0	0	0	112.4
100	S	85.5	Confident	87	Confident	42 Å²	42	60.4 Å²	60.4	29%	0.294	32%	0.317	S	S	.	.			trans	-107.5	129.5	-178.2	-165.1	0	0	0	0	112.7	D98 W102	D98-S100 PolarHBondContact O-N 3.17Å; S100-W102 VanDerWaalsContact C-N 3.27Å; S100-W102 WeakPolarHBondContact CB-O 3.08Å; S100-W102 PolarHBondContact O-N 2.86Å; S100-W102 PolarHBondContact OG-N 3.26Å; S100-W102 PolarHBondContact OG-O 3Å
101	Y	91	Very high	86.8	Confident	115 Å²	115	63 Å²	63	45%	0.451	33%	0.329	S	S	.	.	S	Bend	trans	-85.9	4.9	175	60.2	-85.2	0	0	0	113.4	H60 Y92 I93	H60-Y101 AromaticContact CE1-CD2 3.42Å; H60-Y101 VanDerWaalsContact CE1-CD2 3.42Å; H60-Y101 WeakPolarHBondContact CE1-CD2 3.3Å; H60-Y101 AromaticContact CE1-CG 3.96Å; H60-Y101 AromaticContact ND1-CD2 3.6Å; H60-Y101 AromaticContact ND1-CE2 3.76Å; Y92-Y101 WeakPolarHBondContact CA-O 3.46Å; Y92-Y101 AromaticContact CD1-CD2 3.88Å; Y92-Y101 HydrophobicContact CD1-CD2 3.88Å; Y92-Y101 HydrophobicContact CD1-CE2 4.26Å; Y92-Y101 AromaticContact CE1-CD2 3.96Å; Y92-Y101 HydrophobicContact CE1-CD2 3.96Å; Y92-Y101 AromaticContact CE1-CE2 3.86Å; Y92-Y101 HydrophobicContact CE1-CE2 3.86Å; I93-Y101 PolarHBondContact N-O 2.97Å
102	W	93.9	Very high	86.6	Confident	72 Å²	72	63.1 Å²	63.1	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156.5	-179.9	67.8	-84.4	0	0	0	110.4	W90 C91 Y92 S100 Y104	W90-W102 HydrophobicContact CB-CE3 4.22Å; W90-W102 HydrophobicContact CE3-CB 4.15Å; W90-W102 HydrophobicContact CG-CE3 4.41Å; W90-W102 HydrophobicContact CZ3-CB 4.4Å; C91-W102 WeakPolarHBondContact O-CA 3.39Å; Y92-W102 HydrophobicContact CD1-CB 4.03Å; Y92-W102 HydrophobicContact CE1-CB 4.47Å; S100-W102 VanDerWaalsContact C-N 3.27Å; S100-W102 WeakPolarHBondContact CB-O 3.08Å; S100-W102 PolarHBondContact O-N 2.86Å; S100-W102 PolarHBondContact OG-N 3.26Å; S100-W102 PolarHBondContact OG-O 3Å; W102-Y104 HydrophobicContact CH2-CE1 4.35Å; W102-Y104 HydrophobicContact CH2-CE2 4.05Å; W102-Y104 AromaticContact CH2-CZ 3.85Å; W102-Y104 HydrophobicContact CZ3-CD1 4.13Å; W102-Y104 HydrophobicContact CZ3-CD2 4.22Å; W102-Y104 AromaticContact CZ3-CE1 3.82Å; W102-Y104 HydrophobicContact CZ3-CE1 3.82Å; W102-Y104 AromaticContact CZ3-CE2 3.95Å; W102-Y104 HydrophobicContact CZ3-CE2 3.95Å; W102-Y104 HydrophobicContact CZ3-CG 4.3Å; W102-Y104 AromaticContact CZ3-CZ 3.73Å
103	K	94.4	Very high	86.6	Confident	79 Å²	79	64 Å²	64	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.2	173.6	-61.3	-177.1	89.4	155.2	0	110.6	T43 K49 W90 C91 I93 D98	T43-K103 HydrophobicContact CG2-CB 3.87Å; K49-K103 HydrophobicContact CD-CD 4.39Å; W90-K103 WeakPolarHBondContact CA-O 3.31Å; W90-K103 VanDerWaalsContact CB-O 3.3Å; W90-K103 WeakPolarHBondContact CB-O 3.22Å; C91-K103 PolarHBondContact N-O 2.57Å; C91-K103 VanDerWaalsContact N-O 3.09Å; C91-K103 PolarHBondContact O-N 2.94Å; C91-K103 VanDerWaalsContact O-N 3.1Å; I93-K103 HydrophobicContact CD1-CD 3.66Å; I93-K103 HydrophobicContact CD1-CG 3.73Å; I93-K103 HydrophobicContact CG1-CG 4.46Å; D98-K103 IonicContact OD2-NZ 2.62Å; D98-K103 PolarHBondContact OD2-NZ 3.07Å
104	Y	95.8	Very high	86.7	Confident	55 Å²	55	64.7 Å²	64.7	22%	0.216	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	154.4	168.1	-66.7	-60.6	0	0	0	111.8	D86 V87 Q88 W90 W102	D86-Y104 HydrophobicContact CB-CE1 4.45Å; D86-Y104 VanDerWaalsContact CG-OH 3.28Å; D86-Y104 PolarHBondContact OD1-OH 3.29Å; D86-Y104 PolarHBondContact OD2-OH 2.85Å; V87-Y104 HydrophobicContact CG2-CE1 4.3Å; Q88-Y104 HydrophobicContact CB-CD1 3.86Å; Q88-Y104 HydrophobicContact CB-CE1 4.28Å; Q88-Y104 HydrophobicContact CB-CG 4.46Å; W90-Y104 HydrophobicContact CB-CD1 3.96Å; W102-Y104 HydrophobicContact CH2-CE1 4.35Å; W102-Y104 HydrophobicContact CH2-CE2 4.05Å; W102-Y104 AromaticContact CH2-CZ 3.85Å; W102-Y104 HydrophobicContact CZ3-CD1 4.13Å; W102-Y104 HydrophobicContact CZ3-CD2 4.22Å; W102-Y104 AromaticContact CZ3-CE1 3.82Å; W102-Y104 HydrophobicContact CZ3-CE1 3.82Å; W102-Y104 AromaticContact CZ3-CE2 3.95Å; W102-Y104 HydrophobicContact CZ3-CE2 3.95Å; W102-Y104 HydrophobicContact CZ3-CG 4.3Å; W102-Y104 AromaticContact CZ3-CZ 3.73Å
105	C	95.8	Very high	87.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.325	C	S	.	.			trans	-105.9	121	176	-63.6	0	0	0	0	110.7	T43 C80 Q88 P89 I107	T43-C105 CarbonylContact O-C 3.53Å; T43-C105 VanDerWaalsContact O-CA 3.29Å; T43-C105 WeakPolarHBondContact O-CA 3.39Å; C80-C105 HydrophobicContact CB-CB 3.6Å; C80-C105 WeakPolarHBondContact CB-SG 3.42Å; C80-C105 WeakPolarHBondContact SG-CB 3.32Å; C80-C105 CovalentContact SG-SG 2.03Å; C80-C105 PolarHBondContact SG-SG 2.8Å; Q88-C105 PolarHBondContact NE2-O 2.74Å; P89-C105 PolarHBondContact O-N 3.32Å; C105-I107 HydrophobicContact CB-CD1 3.77Å; C105-I107 HydrophobicContact CB-CG1 3.71Å; C105-I107 PolarHBondContact O-N 2.97Å
106	D	94.9	Very high	88.4	Confident	34 Å²	34	63.2 Å²	63.2	18%	0.182	33%	0.327	C	S	.	.			trans	-79.1	99.6	168	-166.4	17.6	0	0	0	108.9	Q40 T43 S178 S179 M180	Q40-D106 PolarHBondContact NE2-O 2.84Å; T43-D106 PolarHBondContact O-N 2.04Å; D106-S178 PolarHBondContact OD2-OG 3.44Å; D106-S178 VanDerWaalsContact OD2-OG 3.09Å; D106-S179 PolarHBondContact OD1-OG 3.25Å; D106-M180 HydrophobicContact CB-CE 3.63Å; D106-M180 HydrophobicContact CB-CG 4.04Å; D106-M180 HydrophobicContact CB-SD 3.86Å
107	I	94.2	Very high	89.9	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.036	29%	0.288	C	S	.	.			trans	-114.5	101.3	-173.1	-57.4	163.1	0	0	0	108.4	Y36 C80 P89 C105 S109 C110	Y36-I107 HydrophobicContact CD1-CD1 3.93Å; Y36-I107 HydrophobicContact CD2-CG2 4.49Å; Y36-I107 HydrophobicContact CE1-CD1 3.71Å; Y36-I107 HydrophobicContact CE2-CD1 4.44Å; Y36-I107 HydrophobicContact CE2-CG2 3.71Å; Y36-I107 HydrophobicContact CG-CD1 4.4Å; C80-I107 HydrophobicContact CB-CD1 3.85Å; P89-I107 HydrophobicContact CB-CD1 3.73Å; P89-I107 HydrophobicContact CG-CD1 4.05Å; C105-I107 HydrophobicContact CB-CD1 3.77Å; C105-I107 HydrophobicContact CB-CG1 3.71Å; C105-I107 PolarHBondContact O-N 2.97Å; I107-S109 WeakPolarHBondContact CG2-OG 3.3Å; I107-S109 PolarHBondContact O-N 3.26Å; I107-S109 VanDerWaalsContact O-N 3.16Å; I107-C110 HydrophobicContact CB-CB 3.76Å; I107-C110 HydrophobicContact CD1-CB 4.5Å; I107-C110 HydrophobicContact CG2-CB 3.58Å; I107-C110 PolarHBondContact O-N 2.59Å
108	P	91.1	Very high	91.4	Very high	86 Å²	86	46.4 Å²	46.4	56%	0.558	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.1	-175.5	-26.5	35.3	0	0	0	114.7	L45 C110	L45-P108 HydrophobicContact CD1-CG 3.98Å; P108-C110 VanDerWaalsContact C-N 3.34Å
109	S	91.9	Very high	93.1	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.9	177.7	54	0	0	0	0	113.7	E27 I107 Q111	E27-S109 PolarHBondContact N-O 3.49Å; E27-S109 WeakPolarHBondContact OE2-CB 3.34Å; E27-S109 PolarHBondContact OE2-OG 2.86Å; I107-S109 WeakPolarHBondContact CG2-OG 3.3Å; I107-S109 PolarHBondContact O-N 3.26Å; I107-S109 VanDerWaalsContact O-N 3.16Å; S109-Q111 PolarHBondContact O-N 3.4Å
110	C	93.9	Very high	94.1	Very high	25 Å²	25	42.4 Å²	42.4	17%	0.169	22%	0.217	C	C	.	.			trans	-98.6	73.1	-177	-174.8	0	0	0	0	110.8	C28 Y36 I107 P108	C28-C110 HydrophobicContact CB-CB 3.95Å; C28-C110 WeakPolarHBondContact CB-SG 3.44Å; C28-C110 WeakPolarHBondContact SG-CA 3.18Å; C28-C110 WeakPolarHBondContact SG-CB 3.28Å; C28-C110 CovalentContact SG-SG 2.03Å; C28-C110 PolarHBondContact SG-SG 2.93Å; Y36-C110 HydrophobicContact CD2-CB 4Å; Y36-C110 HydrophobicContact CE2-CB 4.32Å; I107-C110 HydrophobicContact CB-CB 3.76Å; I107-C110 HydrophobicContact CD1-CB 4.5Å; I107-C110 HydrophobicContact CG2-CB 3.58Å; I107-C110 PolarHBondContact O-N 2.59Å; P108-C110 VanDerWaalsContact C-N 3.34Å
111	Q	93.2	Very high	94.4	Very high	60 Å²	60	41.1 Å²	41.1	28%	0.28	21%	0.207	S	C	.	.			trans	-137	115.8	175.4	-175.3	169.1	-12.7	0	0	109.2	S26 S109 N115	S26-Q111 PolarHBondContact OG-O 2.8Å; S109-Q111 PolarHBondContact O-N 3.4Å; Q111-N115 HydrophobicContact CG-CB 4.09Å; Q111-N115 PolarHBondContact NE2-O 3.37Å
112	M	95.1	Very high	94.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	22%	0.215	C	C	.	.			trans	-61.2	132.8	-179	67.5	169.1	-66.3	0	0	110.8	C28 A31 G114 N115 F203 V207 Y222 F226	C28-M112 VanDerWaalsContact O-CA 3.26Å; C28-M112 WeakPolarHBondContact O-CA 3.44Å; A31-M112 WeakPolarHBondContact CA-SD 3.22Å; A31-M112 HydrophobicContact CB-SD 3.78Å; M112-G114 PolarHBondContact O-N 2.93Å; M112-G114 VanDerWaalsContact O-N 3.16Å; M112-N115 HydrophobicContact CG-CB 3.74Å; M112-N115 WeakPolarHBondContact O-CB 3.43Å; M112-N115 PolarHBondContact O-N 2.98Å; M112-F203 HydrophobicContact CG-CE1 4.48Å; M112-F203 HydrophobicContact SD-CE1 4.07Å; M112-V207 HydrophobicContact CE-CG1 4.06Å; M112-Y222 HydrophobicContact CE-CD1 4.36Å; M112-Y222 HydrophobicContact CE-CD2 4.43Å; M112-Y222 HydrophobicContact CE-CE1 3.72Å; M112-Y222 HydrophobicContact CE-CE2 3.79Å; M112-Y222 WeakPolarHBondContact CE-OH 3.38Å; M112-F226 HydrophobicContact CE-CD1 3.94Å; M112-F226 HydrophobicContact CE-CE1 3.62Å; M112-F226 HydrophobicContact SD-CE1 4.32Å
113	P	96.2	Very high	93.5	Very high	24 Å²	24	38.6 Å²	38.6	16%	0.156	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	124.3	175.3	-31.3	39.5	0	0	0	111.2	F24 Y29 V220 Y222	F24-P113 HydrophobicContact CD1-CB 4.29Å; F24-P113 HydrophobicContact CD1-CG 4.08Å; F24-P113 HydrophobicContact CE1-CB 3.94Å; F24-P113 HydrophobicContact CE1-CG 4.26Å; Y29-P113 HydrophobicContact CE1-CG 4.35Å; P113-V220 HydrophobicContact CB-CB 4.05Å; P113-V220 HydrophobicContact CB-CG2 3.82Å; P113-V220 HydrophobicContact CG-CB 4.46Å; P113-V220 HydrophobicContact CG-CG2 3.79Å; P113-Y222 WeakPolarHBondContact CD-OH 3.47Å; P113-Y222 WeakPolarHBondContact O-CE2 3.3Å; P113-Y222 PolarHBondContact O-OH 3.19Å
114	G	95.5	Very high	93	Very high	20 Å²	20	43.3 Å²	43.3	21%	0.206	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	-18.3	-172.1	0	0	0	0	0	114.2	M112 F203 D204	M112-G114 PolarHBondContact O-N 2.93Å; M112-G114 VanDerWaalsContact O-N 3.16Å; G114-F203 CarbonylContact O-C 3.48Å; G114-F203 VanDerWaalsContact O-CA 3.27Å; G114-F203 WeakPolarHBondContact O-CA 3.38Å; G114-D204 PolarHBondContact O-N 3.33Å
115	N	96.8	Very high	92.5	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.2	158.8	-179.5	-0.5	0	0	0	107.9	Q111 M112 G117 V202 F203	Q111-N115 HydrophobicContact CG-CB 4.09Å; Q111-N115 PolarHBondContact NE2-O 3.37Å; M112-N115 HydrophobicContact CG-CB 3.74Å; M112-N115 WeakPolarHBondContact O-CB 3.43Å; M112-N115 PolarHBondContact O-N 2.98Å; N115-G117 PolarHBondContact OD1-N 2.03Å; N115-V202 PolarHBondContact OD1-O 3.29Å; N115-F203 HydrophobicContact CB-CD1 3.94Å; N115-F203 HydrophobicContact CB-CE1 3.58Å; N115-F203 HydrophobicContact CB-CZ 4.17Å
116	L	95.4	Very high	92.2	Very high	62 Å²	62	47 Å²	47	33%	0.325	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-8.8	-177.4	-57.6	-172.9	0	0	0	113.3	F119 L154 L171 V202	L116-F119 HydrophobicContact CB-CE2 4.48Å; L116-F119 WeakPolarHBondContact O-CZ 3.46Å; L116-L154 HydrophobicContact CD1-CD1 4.36Å; L116-L154 HydrophobicContact CD1-CD2 3.38Å; L116-L171 HydrophobicContact CB-CD1 4.35Å; L116-L171 HydrophobicContact CD1-CD1 3.67Å; L116-V202 HydrophobicContact CB-CB 4.47Å; L116-V202 HydrophobicContact CD1-CG1 4.28Å; L116-V202 PolarHBondContact N-O 2.65Å
117	G	94.6	Very high	92.1	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.1	-175.1	174.6	0	0	0	0	0	113.4	N115 F119 E176 V202	N115-G117 PolarHBondContact OD1-N 2.03Å; G117-F119 WeakPolarHBondContact O-CE2 3.41Å; G117-E176 WeakPolarHBondContact CA-OE1 3.02Å; G117-V202 PolarHBondContact O-N 3.45Å
118	C	96	Very high	92.1	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.4	177.1	-176	0	0	0	0	109.8	E176 S177 C182	C118-E176 WeakPolarHBondContact O-CA 3.34Å; C118-S177 PolarHBondContact O-N 2.86Å; C118-C182 VanDerWaalsContact CA-SG 3.55Å; C118-C182 HydrophobicContact CB-CB 3.68Å; C118-C182 WeakPolarHBondContact CB-SG 3.27Å; C118-C182 WeakPolarHBondContact SG-CB 3.01Å; C118-C182 CovalentContact SG-SG 2.03Å; C118-C182 PolarHBondContact SG-SG 2.89Å
119	F	96	Very high	92.3	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.5	-176.1	-59.1	-88.3	0	0	0	110.8	L116 G117 D121 T127 L171 H174 E176 W199 I200 V202	L116-F119 HydrophobicContact CB-CE2 4.48Å; L116-F119 WeakPolarHBondContact O-CZ 3.46Å; G117-F119 WeakPolarHBondContact O-CE2 3.41Å; F119-D121 PolarHBondContact O-N 2.88Å; F119-T127 HydrophobicContact CB-CG2 4.15Å; F119-L171 HydrophobicContact CD1-CD2 4.41Å; F119-L171 HydrophobicContact CD2-CD2 4.15Å; F119-L171 HydrophobicContact CE1-CD2 4.36Å; F119-L171 HydrophobicContact CE2-CD1 4.45Å; F119-L171 HydrophobicContact CE2-CD2 4.11Å; F119-L171 HydrophobicContact CG-CD2 4.3Å; F119-L171 HydrophobicContact CZ-CD1 4.42Å; F119-L171 HydrophobicContact CZ-CD2 4.22Å; F119-H174 HydrophobicContact CD1-CB 3.91Å; F119-H174 HydrophobicContact CE1-CB 4.49Å; F119-E176 HydrophobicContact CE1-CB 4.12Å; F119-W199 CarbonylContact O-C 3.37Å; F119-W199 WeakPolarHBondContact O-CA 3.5Å; F119-I200 HydrophobicContact CB-CG2 3.91Å; F119-I200 PolarHBondContact N-O 2.99Å; F119-I200 PolarHBondContact O-N 2.59Å; F119-V202 HydrophobicContact CD2-CB 4.12Å; F119-V202 HydrophobicContact CD2-CG2 3.7Å; F119-V202 HydrophobicContact CE2-CB 4.06Å; F119-V202 HydrophobicContact CE2-CG2 4.14Å
120	K	94.7	Very high	92.4	Very high	122 Å²	122	43.5 Å²	43.5	53%	0.53	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.6	175.2	-164.4	172.5	-178.7	173.8	0	109.8	T127 W199	K120-T127 PolarHBondContact O-OG1 3.16Å; K120-W199 VanDerWaalsContact CA-CE3 3.42Å; K120-W199 VanDerWaalsContact CA-CZ3 3.43Å; K120-W199 HydrophobicContact CB-CE3 3.87Å; K120-W199 HydrophobicContact CB-CH2 3.92Å; K120-W199 HydrophobicContact CB-CZ3 3.35Å; K120-W199 HydrophobicContact CD-CH2 4.1Å; K120-W199 HydrophobicContact CD-CZ3 4.38Å; K120-W199 HydrophobicContact CG-CE3 4.23Å; K120-W199 HydrophobicContact CG-CH2 4.01Å; K120-W199 HydrophobicContact CG-CZ2 4.47Å; K120-W199 HydrophobicContact CG-CZ3 3.84Å
121	D	91.2	Very high	92.6	Very high	14 Å²	14	44.8 Å²	44.8	8%	0.075	26%	0.261	C	S	.	.			trans	-98.4	124.5	170.3	-156.8	-39.4	0	0	0	109.9	F119 G123 P126 T127 G198 I200	F119-D121 PolarHBondContact O-N 2.88Å; D121-G123 WeakPolarHBondContact OD1-CA 3.33Å; D121-G123 PolarHBondContact OD1-N 2.72Å; D121-P126 WeakPolarHBondContact OD1-CA 3.49Å; D121-T127 PolarHBondContact OD2-N 2.95Å; D121-G198 PolarHBondContact N-O 2.81Å; D121-I200 HydrophobicContact CB-CG2 4.41Å
122	T	86.5	Confident	92.8	Very high	103 Å²	103	48 Å²	48	63%	0.632	28%	0.276	S	S	*	.			trans	-98.6	-5.5	178.4	63.2	0	0	0	0	112.8	H124	T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.07Å
123	G	80.6	Confident	92.8	Very high	32 Å²	32	51 Å²	51	33%	0.33	29%	0.29	S	S	.	.	S	Bend	trans	81.7	-24.1	176.6	0	0	0	0	0	115.8	D121	D121-G123 WeakPolarHBondContact OD1-CA 3.33Å; D121-G123 PolarHBondContact OD1-N 2.72Å
124	H	82.9	Confident	92.9	Very high	177 Å²	177	56 Å²	56	82%	0.819	31%	0.314	S	S	*	.	S	Bend	trans	-144.5	95.8	-173.4	-63	86.8	0	0	0	114.1	T122	T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.07Å
125	P	85.1	Confident	93	Very high	97 Å²	97	56.8 Å²	56.8	63%	0.63	32%	0.316	S	S	*	.	S	Bend	cis	-67.6	155.8	-11.8	31	-34.3	0	0	0	111.2
126	P	90.1	Very high	93	Very high	36 Å²	36	61.6 Å²	61.6	23%	0.234	34%	0.342	C	S	.	.			trans	-64.1	160.6	170.7	31.3	-36.4	0	0	0	110.1	D121 L128	D121-P126 WeakPolarHBondContact OD1-CA 3.49Å; P126-L128 PolarHBondContact O-N 3.16Å
127	T	92.3	Very high	93.1	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.012	36%	0.357	C	S	.	.	S	Bend	trans	-59.1	-38	-178.5	-58.9	0	0	0	0	111.8	F119 K120 D121 L171 I200	F119-T127 HydrophobicContact CB-CG2 4.15Å; K120-T127 PolarHBondContact O-OG1 3.16Å; D121-T127 PolarHBondContact OD2-N 2.95Å; T127-L171 HydrophobicContact CG2-CD2 3.95Å; T127-I200 HydrophobicContact CG2-CG2 3.93Å
128	L	95.4	Very high	93.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.356	C	S	.	.	S	Bend	trans	-114.1	100.1	172.8	-61.1	-177.2	0	0	0	109.6	P126 G130 L154 F164 D170 L171 I200 V202	P126-L128 PolarHBondContact O-N 3.16Å; L128-G130 VanDerWaalsContact C-N 3.28Å; L128-G130 PolarHBondContact O-N 3.18Å; L128-L154 HydrophobicContact CD1-CB 4.48Å; L128-L154 HydrophobicContact CD2-CB 4.43Å; L128-L154 HydrophobicContact CD2-CD1 4.12Å; L128-F164 HydrophobicContact CB-CB 3.97Å; L128-F164 HydrophobicContact CD1-CB 4.47Å; L128-D170 HydrophobicContact CD2-CB 4.26Å; L128-L171 HydrophobicContact CD2-CD2 4.3Å; L128-L171 HydrophobicContact CD2-CG 4.49Å; L128-I200 HydrophobicContact CD1-CD1 4.05Å; L128-I200 HydrophobicContact CG-CD1 4.16Å; L128-V202 HydrophobicContact CD1-CG1 4.15Å; L128-V202 HydrophobicContact CD1-CG2 4.22Å
129	P	94.6	Very high	93.4	Very high	70 Å²	70	66 Å²	66	46%	0.455	36%	0.358	S	S	.	.			trans	-81.6	7	-170.2	33.3	-37.3	0	0	0	115.4
130	G	95.3	Very high	93.5	Very high	21 Å²	21	65.4 Å²	65.4	22%	0.216	36%	0.355	C	S	.	.	S	Bend	trans	-77.3	-152	179.9	0	0	0	0	0	113.9	L128 C165	L128-G130 VanDerWaalsContact C-N 3.28Å; L128-G130 PolarHBondContact O-N 3.18Å; G130-C165 WeakPolarHBondContact CA-O 3.38Å; G130-C165 PolarHBondContact N-O 2.77Å
131	V	96.8	Very high	93.7	Very high	53 Å²	53	59.6 Å²	59.6	32%	0.321	33%	0.33	S	S	.	.			trans	-70.4	149.7	176.6	-59	0	0	0	0	110.8	F146 Q150 Y152 C165	V131-F146 HydrophobicContact CB-CZ 4.5Å; V131-F146 HydrophobicContact CG2-CE1 3.92Å; V131-F146 HydrophobicContact CG2-CZ 3.93Å; V131-Q150 HydrophobicContact CG2-CB 3.97Å; V131-Q150 HydrophobicContact CG2-CG 3.91Å; V131-Y152 HydrophobicContact CB-CE2 4.34Å; V131-Y152 HydrophobicContact CG1-CE2 4.12Å; V131-Y152 HydrophobicContact CG2-CD2 4.03Å; V131-Y152 HydrophobicContact CG2-CE2 3.56Å; V131-C165 HydrophobicContact CG2-CB 3.9Å; V131-C165 WeakPolarHBondContact O-CB 3.41Å; V131-C165 PolarHBondContact O-N 3.23Å; V131-C165 PolarHBondContact O-SG 2.79Å
132	H	96.7	Very high	94	Very high	127 Å²	127	61.5 Å²	61.5	59%	0.588	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.2	177.9	64.8	-89.9	0	0	0	111.2	C163 F164	H132-C163 CarbonylContact C-O 3.49Å; H132-C163 WeakPolarHBondContact CA-O 3.36Å; H132-C163 WeakPolarHBondContact CB-O 3.11Å; H132-F164 HydrophobicContact CB-CD1 3.58Å; H132-F164 HydrophobicContact CB-CE1 3.95Å; H132-F164 HydrophobicContact CB-CG 4.25Å
133	E	97	Very high	94.6	Very high	66 Å²	66	56.6 Å²	56.6	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	162.1	171.9	69	173.8	-165.6	0	0	111.1	F146 C163	E133-F146 HydrophobicContact CB-CE1 4.15Å; E133-F146 HydrophobicContact CB-CE2 4.4Å; E133-F146 HydrophobicContact CB-CZ 4.02Å; E133-F146 VanDerWaalsContact CD-CD2 3.45Å; E133-F146 VanDerWaalsContact CD-CG 3.45Å; E133-F146 HydrophobicContact CG-CD1 3.8Å; E133-F146 HydrophobicContact CG-CD2 4.27Å; E133-F146 HydrophobicContact CG-CE1 3.78Å; E133-F146 HydrophobicContact CG-CE2 4.26Å; E133-F146 HydrophobicContact CG-CG 4.05Å; E133-F146 HydrophobicContact CG-CZ 4.02Å; E133-F146 WeakPolarHBondContact OE1-CB 3.19Å; E133-F146 WeakPolarHBondContact OE1-CG 3.22Å; E133-F146 WeakPolarHBondContact OE2-CD2 3.06Å; E133-F146 WeakPolarHBondContact OE2-CE2 3.49Å; E133-C163 HydrophobicContact CG-CB 3.94Å; E133-C163 PolarHBondContact N-O 3.13Å; E133-C163 PolarHBondContact O-N 3.26Å
134	I	97.4	Very high	95.5	Very high	130 Å²	130	55 Å²	55	67%	0.667	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	173.2	57.8	172.3	0	0	0	109.2	Y161 A162	I134-Y161 WeakPolarHBondContact CA-O 3.43Å; I134-Y161 HydrophobicContact CB-CD2 4.3Å; I134-Y161 HydrophobicContact CG2-CD2 4.1Å; I134-Y161 HydrophobicContact CG2-CE2 4.22Å; I134-A162 HydrophobicContact CG2-CB 4.36Å
135	S	97.6	Very high	96.2	Very high	35 Å²	35	48.9 Å²	48.9	25%	0.245	27%	0.27	C	S	.	.			trans	-143.8	133.7	-179.5	178.7	0	0	0	0	111.4	K137 L138 Y161	S135-K137 PolarHBondContact O-N 2.68Å; S135-K137 PolarHBondContact OG-N 2.92Å; S135-K137 VanDerWaalsContact OG-N 3.15Å; S135-L138 PolarHBondContact O-N 2.74Å; S135-L138 PolarHBondContact OG-N 3.06Å; S135-Y161 PolarHBondContact N-O 3.45Å; S135-Y161 WeakPolarHBondContact O-CB 3.13Å
136	N	97	Very high	96.9	Very high	127 Å²	127	46 Å²	46	68%	0.679	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	3.2	172.3	69.1	-17.3	0	0	0	113.4
137	K	97.3	Very high	97.3	Very high	150 Å²	150	44.3 Å²	44.3	65%	0.652	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.8	29.2	174.8	-62.9	-178.7	-178.7	-178.7	0	110.3	S135 T139	S135-K137 PolarHBondContact O-N 2.68Å; S135-K137 PolarHBondContact OG-N 2.92Å; S135-K137 VanDerWaalsContact OG-N 3.15Å; K137-T139 PolarHBondContact O-N 3.34Å
138	L	98.4	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.			trans	-62.6	133.3	-178.6	-164.3	75.9	0	0	0	110.1	S135 C143 M157 Y161 A162 C163 C186 F187 G188	S135-L138 PolarHBondContact O-N 2.74Å; S135-L138 PolarHBondContact OG-N 3.06Å; L138-C143 HydrophobicContact CD1-CB 4.05Å; L138-M157 HydrophobicContact CD2-CB 4.31Å; L138-M157 HydrophobicContact CD2-CG 4.35Å; L138-Y161 VanDerWaalsContact CD2-C 3.48Å; L138-A162 WeakPolarHBondContact CD2-O 3.07Å; L138-C163 HydrophobicContact CD1-CB 3.95Å; L138-C186 WeakPolarHBondContact O-CB 2.98Å; L138-F187 PolarHBondContact O-N 2.87Å; L138-G188 VanDerWaalsContact O-CA 3.3Å; L138-G188 WeakPolarHBondContact O-CA 3.47Å; L138-G188 PolarHBondContact O-N 3.34Å
139	T	98.6	Very high	97.6	Very high	11 Å²	11	51 Å²	51	7%	0.067	27%	0.273	C	S	.	.			trans	-125.4	167.5	167.3	64.9	0	0	0	0	107.5	K137 Q141 T142 C143 D189 D228	K137-T139 PolarHBondContact O-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.12Å; T139-T142 PolarHBondContact N-OG1 3Å; T139-T142 PolarHBondContact O-N 3.49Å; T139-T142 PolarHBondContact O-OG1 3.14Å; T139-T142 VanDerWaalsContact O-OG1 3.05Å; T139-T142 WeakPolarHBondContact OG1-CG2 3.43Å; T139-T142 PolarHBondContact OG1-N 2.94Å; T139-T142 PolarHBondContact OG1-OG1 3.49Å; T139-C143 PolarHBondContact O-N 3.26Å; T139-D189 HydrophobicContact CG2-CB 4Å; T139-D228 WeakPolarHBondContact CB-OD1 3.34Å; T139-D228 WeakPolarHBondContact CB-OD2 3.36Å; T139-D228 PolarHBondContact OG1-OD1 3.46Å; T139-D228 PolarHBondContact OG1-OD2 2.91Å
140	I	98.6	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-47.2	174.3	-70.9	169.2	0	0	0	109.4	A31 C143 I144 M157 Q192 P193 F203 P227	A31-I140 HydrophobicContact CB-CD1 3.72Å; I140-C143 PolarHBondContact O-N 3.12Å; I140-I144 HydrophobicContact CG2-CD1 3.63Å; I140-I144 WeakPolarHBondContact O-CG1 3.26Å; I140-I144 PolarHBondContact O-N 3.33Å; I140-M157 HydrophobicContact CB-CE 4.28Å; I140-M157 HydrophobicContact CG2-CE 3.9Å; I140-M157 WeakPolarHBondContact O-CE 3.28Å; I140-Q192 HydrophobicContact CD1-CB 3.86Å; I140-Q192 HydrophobicContact CD1-CG 4.23Å; I140-Q192 HydrophobicContact CG1-CB 4.22Å; I140-P193 HydrophobicContact CD1-CG 4.43Å; I140-F203 HydrophobicContact CD1-CE2 4.19Å; I140-F203 HydrophobicContact CD1-CZ 3.77Å; I140-F203 HydrophobicContact CG1-CE2 4.21Å; I140-F203 HydrophobicContact CG1-CZ 4.27Å; I140-F203 HydrophobicContact CG2-CD1 4.22Å; I140-F203 HydrophobicContact CG2-CD2 4.16Å; I140-F203 HydrophobicContact CG2-CE1 4.09Å; I140-F203 HydrophobicContact CG2-CE2 4.02Å; I140-F203 HydrophobicContact CG2-CG 4.26Å; I140-F203 HydrophobicContact CG2-CZ 4Å; I140-P227 HydrophobicContact CB-CG 3.72Å; I140-P227 HydrophobicContact CD1-CG 3.94Å; I140-P227 HydrophobicContact CG1-CG 4.41Å; I140-P227 HydrophobicContact CG2-CG 3.78Å
141	Q	98.4	Very high	97.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-73.8	-34.5	-174	-175.7	66.6	-10.3	0	0	113.9	T139 C143 I144 N145 V207 G208 D225 F226 D228	T139-Q141 PolarHBondContact O-N 3.12Å; Q141-C143 VanDerWaalsContact C-N 3.27Å; Q141-C143 PolarHBondContact O-N 3.03Å; Q141-I144 PolarHBondContact O-N 3.34Å; Q141-N145 PolarHBondContact NE2-OD1 2.98Å; Q141-N145 VanDerWaalsContact O-CB 3.25Å; Q141-N145 WeakPolarHBondContact O-CB 3.35Å; Q141-N145 PolarHBondContact O-N 2.95Å; Q141-N145 PolarHBondContact O-ND2 2.77Å; Q141-V207 PolarHBondContact OE1-O 3.11Å; Q141-G208 PolarHBondContact NE2-O 3.42Å; Q141-D225 WeakPolarHBondContact CB-O 3.43Å; Q141-D225 HydrophobicContact CG-CB 4.26Å; Q141-D225 WeakPolarHBondContact CG-O 3.33Å; Q141-F226 PolarHBondContact OE1-O 3.14Å; Q141-D228 HydrophobicContact CB-CB 4.27Å
142	T	98.4	Very high	98	Very high	54 Å²	54	60.2 Å²	60.2	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-39.6	176.9	46.5	0	0	0	0	111.3	T139 N145 F146	T139-T142 PolarHBondContact N-OG1 3Å; T139-T142 PolarHBondContact O-N 3.49Å; T139-T142 PolarHBondContact O-OG1 3.14Å; T139-T142 VanDerWaalsContact O-OG1 3.05Å; T139-T142 WeakPolarHBondContact OG1-CG2 3.43Å; T139-T142 PolarHBondContact OG1-N 2.94Å; T139-T142 PolarHBondContact OG1-OG1 3.49Å; T142-N145 PolarHBondContact O-N 3.21Å; T142-F146 WeakPolarHBondContact O-CB 3.17Å; T142-F146 PolarHBondContact O-N 3.25Å
143	C	98.7	Very high	98	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-46.4	173.2	-178.3	0	0	0	0	112.8	L138 T139 I140 Q141 N145 F146 C147 M157 C163	L138-C143 HydrophobicContact CD1-CB 4.05Å; T139-C143 PolarHBondContact O-N 3.26Å; I140-C143 PolarHBondContact O-N 3.12Å; Q141-C143 VanDerWaalsContact C-N 3.27Å; Q141-C143 PolarHBondContact O-N 3.03Å; C143-N145 VanDerWaalsContact C-N 3.3Å; C143-N145 PolarHBondContact O-N 2.67Å; C143-F146 WeakPolarHBondContact O-CB 3.19Å; C143-F146 PolarHBondContact O-N 2.97Å; C143-F146 VanDerWaalsContact O-N 3.17Å; C143-C147 PolarHBondContact O-N 3.17Å; C143-M157 HydrophobicContact CB-CE 3.76Å; C143-M157 HydrophobicContact CB-CG 3.96Å; C143-C163 WeakPolarHBondContact CA-SG 3.03Å; C143-C163 HydrophobicContact CB-CB 3.77Å; C143-C163 WeakPolarHBondContact CB-SG 3.1Å; C143-C163 VanDerWaalsContact SG-CA 3.6Å; C143-C163 WeakPolarHBondContact SG-CB 3.35Å; C143-C163 CovalentContact SG-SG 2.03Å; C143-C163 PolarHBondContact SG-SG 3.47Å
144	I	98.7	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-46.3	174.8	-74.7	168.6	0	0	0	111.3	I140 Q141 F146 C147 R148 A155 M157 F203 V205 V207	I140-I144 HydrophobicContact CG2-CD1 3.63Å; I140-I144 WeakPolarHBondContact O-CG1 3.26Å; I140-I144 PolarHBondContact O-N 3.33Å; Q141-I144 PolarHBondContact O-N 3.34Å; I144-F146 VanDerWaalsContact C-N 3.34Å; I144-F146 PolarHBondContact O-N 2.93Å; I144-C147 PolarHBondContact O-N 3.34Å; I144-R148 VanDerWaalsContact O-CB 3.24Å; I144-R148 WeakPolarHBondContact O-CB 3.45Å; I144-R148 PolarHBondContact O-N 3.47Å; I144-A155 HydrophobicContact CB-CB 4.45Å; I144-A155 HydrophobicContact CG1-CB 3.93Å; I144-M157 HydrophobicContact CD1-CE 4.35Å; I144-M157 HydrophobicContact CG1-CE 3.88Å; I144-F203 HydrophobicContact CD1-CB 3.84Å; I144-F203 HydrophobicContact CD1-CD1 4.48Å; I144-F203 HydrophobicContact CD1-CG 4.22Å; I144-F203 HydrophobicContact CG1-CB 4.12Å; I144-V205 HydrophobicContact CG2-CB 4.4Å; I144-V207 HydrophobicContact CD1-CB 4.17Å; I144-V207 HydrophobicContact CD1-CG1 4.33Å
145	N	98.2	Very high	98.1	Very high	48 Å²	48	46.4 Å²	46.4	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-44	178.1	-75.4	-14.8	0	0	0	111.5	Q141 T142 C143 R148 S149	Q141-N145 PolarHBondContact NE2-OD1 2.98Å; Q141-N145 VanDerWaalsContact O-CB 3.25Å; Q141-N145 WeakPolarHBondContact O-CB 3.35Å; Q141-N145 PolarHBondContact O-N 2.95Å; Q141-N145 PolarHBondContact O-ND2 2.77Å; T142-N145 PolarHBondContact O-N 3.21Å; C143-N145 VanDerWaalsContact C-N 3.3Å; C143-N145 PolarHBondContact O-N 2.67Å; N145-R148 PolarHBondContact OD1-NH2 3.43Å; N145-S149 WeakPolarHBondContact O-CB 3.44Å; N145-S149 PolarHBondContact O-N 3.42Å
146	F	98.5	Very high	98.1	Very high	37 Å²	37	44.8 Å²	44.8	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-56.5	175.7	169.5	-106.7	0	0	0	110.8	V131 E133 T142 C143 I144 R148 S149 Q150 C165	V131-F146 HydrophobicContact CB-CZ 4.5Å; V131-F146 HydrophobicContact CG2-CE1 3.92Å; V131-F146 HydrophobicContact CG2-CZ 3.93Å; E133-F146 HydrophobicContact CB-CE1 4.15Å; E133-F146 HydrophobicContact CB-CE2 4.4Å; E133-F146 HydrophobicContact CB-CZ 4.02Å; E133-F146 VanDerWaalsContact CD-CD2 3.45Å; E133-F146 VanDerWaalsContact CD-CG 3.45Å; E133-F146 HydrophobicContact CG-CD1 3.8Å; E133-F146 HydrophobicContact CG-CD2 4.27Å; E133-F146 HydrophobicContact CG-CE1 3.78Å; E133-F146 HydrophobicContact CG-CE2 4.26Å; E133-F146 HydrophobicContact CG-CG 4.05Å; E133-F146 HydrophobicContact CG-CZ 4.02Å; E133-F146 WeakPolarHBondContact OE1-CB 3.19Å; E133-F146 WeakPolarHBondContact OE1-CG 3.22Å; E133-F146 WeakPolarHBondContact OE2-CD2 3.06Å; E133-F146 WeakPolarHBondContact OE2-CE2 3.49Å; T142-F146 WeakPolarHBondContact O-CB 3.17Å; T142-F146 PolarHBondContact O-N 3.25Å; C143-F146 WeakPolarHBondContact O-CB 3.19Å; C143-F146 PolarHBondContact O-N 2.97Å; C143-F146 VanDerWaalsContact O-N 3.17Å; I144-F146 VanDerWaalsContact C-N 3.34Å; I144-F146 PolarHBondContact O-N 2.93Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.29Å; F146-S149 WeakPolarHBondContact O-CB 3.43Å; F146-S149 PolarHBondContact O-N 3.47Å; F146-S149 PolarHBondContact O-OG 2.03Å; F146-Q150 HydrophobicContact CD2-CG 4.4Å; F146-Q150 HydrophobicContact CE2-CG 4.09Å; F146-Q150 HydrophobicContact CZ-CG 4.23Å; F146-Q150 WeakPolarHBondContact O-CG 2.92Å; F146-Q150 PolarHBondContact O-N 3.39Å; F146-Q150 VanDerWaalsContact O-N 3.16Å; F146-C165 WeakPolarHBondContact CD1-SG 3.37Å; F146-C165 WeakPolarHBondContact CE1-SG 3.29Å
147	C	98.6	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-38.8	-178.6	-63.1	0	0	0	0	113.1	C143 I144 S149 Q150 K151 Y152 A155 C165 V205	C143-C147 PolarHBondContact O-N 3.17Å; I144-C147 PolarHBondContact O-N 3.34Å; C147-S149 VanDerWaalsContact C-N 3.32Å; C147-S149 PolarHBondContact O-N 2.92Å; C147-Q150 CarbonylContact O-C 3.58Å; C147-Q150 WeakPolarHBondContact O-CA 3.34Å; C147-Q150 PolarHBondContact O-N 3.02Å; C147-Q150 VanDerWaalsContact O-N 3.1Å; C147-K151 PolarHBondContact O-N 2.84Å; C147-Y152 PolarHBondContact O-N 3.23Å; C147-Y152 VanDerWaalsContact O-N 3.11Å; C147-A155 HydrophobicContact CB-CB 3.83Å; C147-C165 WeakPolarHBondContact CA-SG 3.38Å; C147-C165 HydrophobicContact CB-CB 3.68Å; C147-C165 WeakPolarHBondContact CB-SG 3.45Å; C147-C165 WeakPolarHBondContact SG-CA 3.36Å; C147-C165 WeakPolarHBondContact SG-CB 3.32Å; C147-C165 CovalentContact SG-SG 2.04Å; C147-C165 PolarHBondContact SG-SG 3.37Å; C147-V205 HydrophobicContact CB-CG1 4.03Å
148	R	97.9	Very high	98.2	Very high	70 Å²	70	33.1 Å²	33.1	26%	0.264	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-40	174.2	-171.2	164.3	61.3	-126.8	2.2	112.4	I144 N145 F146 Q150 K151 V205 V207	I144-R148 VanDerWaalsContact O-CB 3.24Å; I144-R148 WeakPolarHBondContact O-CB 3.45Å; I144-R148 PolarHBondContact O-N 3.47Å; N145-R148 PolarHBondContact OD1-NH2 3.43Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.29Å; R148-Q150 PolarHBondContact O-N 3.3Å; R148-K151 PolarHBondContact O-N 2.96Å; R148-V205 HydrophobicContact CB-CB 4.09Å; R148-V205 HydrophobicContact CB-CG2 4.49Å; R148-V205 WeakPolarHBondContact CD-O 3.34Å; R148-V205 HydrophobicContact CG-CG2 4.49Å; R148-V205 PolarHBondContact NH1-O 3.21Å; R148-V207 PolarHBondContact NH1-O 3.1Å
149	S	97.9	Very high	98.1	Very high	73 Å²	73	33.9 Å²	33.9	51%	0.51	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-31.4	176.7	79.9	0	0	0	0	112.1	N145 F146 C147 K151	N145-S149 WeakPolarHBondContact O-CB 3.44Å; N145-S149 PolarHBondContact O-N 3.42Å; F146-S149 WeakPolarHBondContact O-CB 3.43Å; F146-S149 PolarHBondContact O-N 3.47Å; F146-S149 PolarHBondContact O-OG 2.03Å; C147-S149 VanDerWaalsContact C-N 3.32Å; C147-S149 PolarHBondContact O-N 2.92Å; S149-K151 VanDerWaalsContact C-N 3.32Å
150	Q	98.1	Very high	98.1	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.439	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.3	178.1	-57.7	-58.5	-32.2	0	0	113.6	V131 F146 C147 R148 Y152	V131-Q150 HydrophobicContact CG2-CB 3.97Å; V131-Q150 HydrophobicContact CG2-CG 3.91Å; F146-Q150 HydrophobicContact CD2-CG 4.4Å; F146-Q150 HydrophobicContact CE2-CG 4.09Å; F146-Q150 HydrophobicContact CZ-CG 4.23Å; F146-Q150 WeakPolarHBondContact O-CG 2.92Å; F146-Q150 PolarHBondContact O-N 3.39Å; F146-Q150 VanDerWaalsContact O-N 3.16Å; C147-Q150 CarbonylContact O-C 3.58Å; C147-Q150 WeakPolarHBondContact O-CA 3.34Å; C147-Q150 PolarHBondContact O-N 3.02Å; C147-Q150 VanDerWaalsContact O-N 3.1Å; R148-Q150 PolarHBondContact O-N 3.3Å; Q150-Y152 VanDerWaalsContact C-N 3.33Å; Q150-Y152 HydrophobicContact CB-CD2 3.74Å; Q150-Y152 HydrophobicContact CB-CE2 4.05Å; Q150-Y152 PolarHBondContact O-N 3.28Å
151	K	97.3	Very high	98	Very high	183 Å²	183	38.2 Å²	38.2	80%	0.796	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	25.7	177.1	-49.4	-59.3	-176.4	-176.3	0	115.2	C147 R148 S149	C147-K151 PolarHBondContact O-N 2.84Å; R148-K151 PolarHBondContact O-N 2.96Å; S149-K151 VanDerWaalsContact C-N 3.32Å
152	Y	98.1	Very high	98	Very high	59 Å²	59	38.6 Å²	38.6	23%	0.231	19%	0.188	C	C	.	.			trans	-86.4	152.6	168.9	-74.6	-80.4	0	0	0	111	V131 C147 Q150 C165 G166 V205	V131-Y152 HydrophobicContact CB-CE2 4.34Å; V131-Y152 HydrophobicContact CG1-CE2 4.12Å; V131-Y152 HydrophobicContact CG2-CD2 4.03Å; V131-Y152 HydrophobicContact CG2-CE2 3.56Å; C147-Y152 PolarHBondContact O-N 3.23Å; C147-Y152 VanDerWaalsContact O-N 3.11Å; Q150-Y152 VanDerWaalsContact C-N 3.33Å; Q150-Y152 HydrophobicContact CB-CD2 3.74Å; Q150-Y152 HydrophobicContact CB-CE2 4.05Å; Q150-Y152 PolarHBondContact O-N 3.28Å; Y152-C165 HydrophobicContact CD1-CB 4.23Å; Y152-C165 HydrophobicContact CD2-CB 3.55Å; Y152-C165 HydrophobicContact CE2-CB 4.12Å; Y152-C165 HydrophobicContact CG-CB 3.6Å; Y152-G166 WeakPolarHBondContact CB-O 3.36Å; Y152-G166 WeakPolarHBondContact CD1-O 3.42Å; Y152-V205 WeakPolarHBondContact O-CG2 3.46Å
153	S	97.3	Very high	98	Very high	33 Å²	33	36 Å²	36	23%	0.231	17%	0.173	C	C	.	.	S	Bend	trans	-90.3	-18.7	176.8	71.6	0	0	0	0	113.5	G166 N167 E168 V205	S153-G166 PolarHBondContact N-O 3.37Å; S153-N167 PolarHBondContact N-OD1 3.02Å; S153-N167 WeakPolarHBondContact OG-CA 3.48Å; S153-E168 PolarHBondContact OG-N 3.26Å; S153-V205 WeakPolarHBondContact O-CG1 3.16Å; S153-V205 WeakPolarHBondContact O-CG2 3.34Å; S153-V205 PolarHBondContact O-N 3.09Å; S153-V205 VanDerWaalsContact O-N 3.09Å
154	L	98.2	Very high	98	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.4	-179.8	-55.7	-176	0	0	0	111.9	L116 L128 G166 N167 E168 L171 V202 F203	L116-L154 HydrophobicContact CD1-CD1 4.36Å; L116-L154 HydrophobicContact CD1-CD2 3.38Å; L128-L154 HydrophobicContact CD1-CB 4.48Å; L128-L154 HydrophobicContact CD2-CB 4.43Å; L128-L154 HydrophobicContact CD2-CD1 4.12Å; L154-G166 WeakPolarHBondContact CB-O 3.44Å; L154-G166 PolarHBondContact N-O 3.45Å; L154-G166 PolarHBondContact O-N 2.9Å; L154-G166 VanDerWaalsContact O-N 3.14Å; L154-N167 VanDerWaalsContact CD1-C 3.49Å; L154-N167 WeakPolarHBondContact CD1-O 3.39Å; L154-E168 HydrophobicContact CD2-CG 4.45Å; L154-L171 HydrophobicContact CD1-CD1 3.48Å; L154-L171 VanDerWaalsContact CD1-CD1 3.48Å; L154-L171 HydrophobicContact CD1-CG 3.72Å; L154-V202 HydrophobicContact CB-CG1 4.21Å; L154-V202 HydrophobicContact CD1-CG1 4.23Å; L154-F203 WeakPolarHBondContact CA-O 3.41Å
155	A	98.6	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.9	169.2	0	0	0	0	0	108.9	I144 C147 M157 F164 V202 F203 V205	I144-A155 HydrophobicContact CB-CB 4.45Å; I144-A155 HydrophobicContact CG1-CB 3.93Å; C147-A155 HydrophobicContact CB-CB 3.83Å; A155-M157 HydrophobicContact CB-CE 4.29Å; A155-F164 CarbonylContact C-O 3.49Å; A155-F164 WeakPolarHBondContact CA-O 3.27Å; A155-V202 CarbonylContact O-C 3.56Å; A155-V202 WeakPolarHBondContact O-CA 3.33Å; A155-F203 PolarHBondContact N-O 2.88Å; A155-F203 PolarHBondContact O-N 3.44Å; A155-V205 HydrophobicContact CB-CG1 4.23Å
156	G	98.2	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.7	177.3	0	0	0	0	0	111.9	C163 F164 I201	G156-C163 CarbonylContact O-C 3.59Å; G156-C163 WeakPolarHBondContact O-CA 3.45Å; G156-F164 PolarHBondContact N-O 3.02Å; G156-F164 PolarHBondContact O-N 3.21Å; G156-I201 CarbonylContact C-O 3.49Å; G156-I201 WeakPolarHBondContact CA-O 3.33Å
157	M	98.2	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.1	-175.6	-49.1	78.2	-179	0	0	109.4	L138 I140 C143 I144 A155 A162 C194 G195 I200 I201 F203	L138-M157 HydrophobicContact CD2-CB 4.31Å; L138-M157 HydrophobicContact CD2-CG 4.35Å; I140-M157 HydrophobicContact CB-CE 4.28Å; I140-M157 HydrophobicContact CG2-CE 3.9Å; I140-M157 WeakPolarHBondContact O-CE 3.28Å; C143-M157 HydrophobicContact CB-CE 3.76Å; C143-M157 HydrophobicContact CB-CG 3.96Å; I144-M157 HydrophobicContact CD1-CE 4.35Å; I144-M157 HydrophobicContact CG1-CE 3.88Å; A155-M157 HydrophobicContact CB-CE 4.29Å; M157-A162 VanDerWaalsContact CA-O 3.28Å; M157-A162 WeakPolarHBondContact CA-O 3.36Å; M157-C194 HydrophobicContact CB-CB 4.02Å; M157-G195 WeakPolarHBondContact O-CA 3.35Å; M157-I200 WeakPolarHBondContact O-CA 3.41Å; M157-I201 HydrophobicContact CB-CG2 3.97Å; M157-I201 PolarHBondContact N-O 3.36Å; M157-I201 PolarHBondContact O-N 3.5Å; M157-I201 HydrophobicContact SD-CG2 4.01Å; M157-F203 HydrophobicContact CE-CB 4.44Å; M157-F203 HydrophobicContact CE-CD2 3.69Å; M157-F203 HydrophobicContact CE-CE2 4.31Å; M157-F203 HydrophobicContact CE-CG 4.33Å; M157-F203 HydrophobicContact SD-CD2 3.6Å; M157-F203 HydrophobicContact SD-CE2 3.94Å
158	E	97.6	Very high	97.5	Very high	32 Å²	32	42.5 Å²	42.5	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.5	180	-166.2	-170.7	175.7	0	0	110.4	G160 Y161 A162 F164 C194 G196 G198	E158-G160 PolarHBondContact O-N 2.99Å; E158-Y161 PolarHBondContact O-N 2.03Å; E158-A162 HydrophobicContact CB-CB 4.32Å; E158-A162 PolarHBondContact N-O 3.03Å; E158-A162 PolarHBondContact O-N 3.47Å; E158-F164 HydrophobicContact CB-CD2 4.38Å; E158-F164 HydrophobicContact CB-CE2 3.82Å; E158-F164 WeakPolarHBondContact OE2-CE2 3.35Å; E158-C194 CarbonylContact C-O 3.45Å; E158-G196 VanDerWaalsContact CG-O 3.32Å; E158-G196 WeakPolarHBondContact CG-O 3.42Å; E158-G198 VanDerWaalsContact OE1-CA 3.28Å; E158-G198 WeakPolarHBondContact OE1-CA 3.4Å; E158-G198 PolarHBondContact OE1-N 3.4Å
159	S	96.4	Very high	97.1	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	18.1	172.1	-60.9	0	0	0	0	115.7	Y161 C194 G196	S159-Y161 VanDerWaalsContact C-N 3.31Å; S159-Y161 WeakPolarHBondContact O-CD1 3.22Å; S159-Y161 PolarHBondContact O-N 2.83Å; S159-C194 PolarHBondContact N-O 2.91Å; S159-G196 PolarHBondContact N-O 3.25Å; S159-G196 PolarHBondContact OG-O 2.75Å
160	G	97.6	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-12.2	179	0	0	0	0	0	116.2	E158 V185 F187 C194	E158-G160 PolarHBondContact O-N 2.99Å; G160-V185 WeakPolarHBondContact CA-O 3.29Å; G160-F187 WeakPolarHBondContact O-CD1 3.39Å; G160-F187 PolarHBondContact O-N 2.81Å; G160-C194 PolarHBondContact N-O 2.81Å
161	Y	97.6	Very high	96.2	Very high	101 Å²	101	38.1 Å²	38.1	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139	-15.9	-171.5	67.1	-98.8	0	0	0	115.6	I134 S135 L138 E158 S159 F187	I134-Y161 WeakPolarHBondContact CA-O 3.43Å; I134-Y161 HydrophobicContact CB-CD2 4.3Å; I134-Y161 HydrophobicContact CG2-CD2 4.1Å; I134-Y161 HydrophobicContact CG2-CE2 4.22Å; S135-Y161 PolarHBondContact N-O 3.45Å; S135-Y161 WeakPolarHBondContact O-CB 3.13Å; L138-Y161 VanDerWaalsContact CD2-C 3.48Å; E158-Y161 PolarHBondContact O-N 2.03Å; S159-Y161 VanDerWaalsContact C-N 3.31Å; S159-Y161 WeakPolarHBondContact O-CD1 3.22Å; S159-Y161 PolarHBondContact O-N 2.83Å; Y161-F187 HydrophobicContact CD1-CE1 4.31Å; Y161-F187 HydrophobicContact CD1-CE2 4.25Å; Y161-F187 AromaticContact CD1-CZ 3.9Å; Y161-F187 HydrophobicContact CD1-CZ 3.9Å
162	A	97.9	Very high	95.6	Very high	8 Å²	8	37 Å²	37	7%	0.066	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139	-179.2	0	0	0	0	0	110.7	I134 L138 M157 E158 F164	I134-A162 HydrophobicContact CG2-CB 4.36Å; L138-A162 WeakPolarHBondContact CD2-O 3.07Å; M157-A162 VanDerWaalsContact CA-O 3.28Å; M157-A162 WeakPolarHBondContact CA-O 3.36Å; E158-A162 HydrophobicContact CB-CB 4.32Å; E158-A162 PolarHBondContact N-O 3.03Å; E158-A162 PolarHBondContact O-N 3.47Å; A162-F164 HydrophobicContact CB-CD2 4.47Å; A162-F164 HydrophobicContact CB-CE2 3.65Å; A162-F164 HydrophobicContact CB-CZ 4.17Å
163	C	98.4	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.4	177.6	176.9	0	0	0	0	109.6	H132 E133 L138 C143 G156	H132-C163 CarbonylContact C-O 3.49Å; H132-C163 WeakPolarHBondContact CA-O 3.36Å; H132-C163 WeakPolarHBondContact CB-O 3.11Å; E133-C163 HydrophobicContact CG-CB 3.94Å; E133-C163 PolarHBondContact N-O 3.13Å; E133-C163 PolarHBondContact O-N 3.26Å; L138-C163 HydrophobicContact CD1-CB 3.95Å; C143-C163 WeakPolarHBondContact CA-SG 3.03Å; C143-C163 HydrophobicContact CB-CB 3.77Å; C143-C163 WeakPolarHBondContact CB-SG 3.1Å; C143-C163 VanDerWaalsContact SG-CA 3.6Å; C143-C163 WeakPolarHBondContact SG-CB 3.35Å; C143-C163 CovalentContact SG-SG 2.03Å; C143-C163 PolarHBondContact SG-SG 3.47Å; G156-C163 CarbonylContact O-C 3.59Å; G156-C163 WeakPolarHBondContact O-CA 3.45Å
164	F	98.1	Very high	94.3	Very high	29 Å²	29	43.2 Å²	43.2	13%	0.127	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.8	179.5	-60	-92.3	0	0	0	109.9	L128 H132 A155 G156 E158 A162 I200	L128-F164 HydrophobicContact CB-CB 3.97Å; L128-F164 HydrophobicContact CD1-CB 4.47Å; H132-F164 HydrophobicContact CB-CD1 3.58Å; H132-F164 HydrophobicContact CB-CE1 3.95Å; H132-F164 HydrophobicContact CB-CG 4.25Å; A155-F164 CarbonylContact C-O 3.49Å; A155-F164 WeakPolarHBondContact CA-O 3.27Å; G156-F164 PolarHBondContact N-O 3.02Å; G156-F164 PolarHBondContact O-N 3.21Å; E158-F164 HydrophobicContact CB-CD2 4.38Å; E158-F164 HydrophobicContact CB-CE2 3.82Å; E158-F164 WeakPolarHBondContact OE2-CE2 3.35Å; A162-F164 HydrophobicContact CB-CD2 4.47Å; A162-F164 HydrophobicContact CB-CE2 3.65Å; A162-F164 HydrophobicContact CB-CZ 4.17Å; F164-I200 HydrophobicContact CB-CD1 4.03Å; F164-I200 HydrophobicContact CD2-CD1 3.94Å; F164-I200 HydrophobicContact CG-CD1 4.26Å
165	C	98.4	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.5	178.5	-51.8	0	0	0	0	110.7	G130 V131 F146 C147 Y152	G130-C165 WeakPolarHBondContact CA-O 3.38Å; G130-C165 PolarHBondContact N-O 2.77Å; V131-C165 HydrophobicContact CG2-CB 3.9Å; V131-C165 WeakPolarHBondContact O-CB 3.41Å; V131-C165 PolarHBondContact O-N 3.23Å; V131-C165 PolarHBondContact O-SG 2.79Å; F146-C165 WeakPolarHBondContact CD1-SG 3.37Å; F146-C165 WeakPolarHBondContact CE1-SG 3.29Å; C147-C165 WeakPolarHBondContact CA-SG 3.38Å; C147-C165 HydrophobicContact CB-CB 3.68Å; C147-C165 WeakPolarHBondContact CB-SG 3.45Å; C147-C165 WeakPolarHBondContact SG-CA 3.36Å; C147-C165 WeakPolarHBondContact SG-CB 3.32Å; C147-C165 CovalentContact SG-SG 2.04Å; C147-C165 PolarHBondContact SG-SG 3.37Å; Y152-C165 HydrophobicContact CD1-CB 4.23Å; Y152-C165 HydrophobicContact CD2-CB 3.55Å; Y152-C165 HydrophobicContact CE2-CB 4.12Å; Y152-C165 HydrophobicContact CG-CB 3.6Å
166	G	96.8	Very high	93.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-170.5	178.6	0	0	0	0	0	111.9	Y152 S153 L154 D170	Y152-G166 WeakPolarHBondContact CB-O 3.36Å; Y152-G166 WeakPolarHBondContact CD1-O 3.42Å; S153-G166 PolarHBondContact N-O 3.37Å; L154-G166 WeakPolarHBondContact CB-O 3.44Å; L154-G166 PolarHBondContact N-O 3.45Å; L154-G166 PolarHBondContact O-N 2.9Å; L154-G166 VanDerWaalsContact O-N 3.14Å; G166-D170 WeakPolarHBondContact CA-OD2 2.98Å
167	N	96.3	Very high	93.1	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	29%	0.291	S	S	.	.			trans	-126.8	166.6	178.9	-59.9	-66	0	0	0	111	S153 L154 A169 D170	S153-N167 PolarHBondContact N-OD1 3.02Å; S153-N167 WeakPolarHBondContact OG-CA 3.48Å; L154-N167 VanDerWaalsContact CD1-C 3.49Å; L154-N167 WeakPolarHBondContact CD1-O 3.39Å; N167-A169 PolarHBondContact O-N 2.83Å; N167-A169 VanDerWaalsContact O-N 3.09Å; N167-D170 PolarHBondContact N-OD2 2.77Å; N167-D170 VanDerWaalsContact O-CB 3.31Å; N167-D170 WeakPolarHBondContact O-CB 3.04Å; N167-D170 PolarHBondContact O-N 2.89Å
168	E	91.9	Very high	92.7	Very high	128 Å²	128	57.1 Å²	57.1	60%	0.598	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-53.4	-34.4	-176.3	-68.6	174.2	-170.9	0	0	114	S153 L154 D170 L171	S153-E168 PolarHBondContact OG-N 3.26Å; L154-E168 HydrophobicContact CD2-CG 4.45Å; E168-D170 PolarHBondContact O-N 2.85Å; E168-L171 PolarHBondContact O-N 2.79Å
169	A	90.6	Very high	92.3	Very high	74 Å²	74	57.4 Å²	57.4	61%	0.612	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.7	177.9	0	0	0	0	0	113.4	N167 L171 Q172	N167-A169 PolarHBondContact O-N 2.83Å; N167-A169 VanDerWaalsContact O-N 3.09Å; A169-L171 VanDerWaalsContact C-N 3.3Å; A169-L171 PolarHBondContact O-N 3.34Å; A169-Q172 PolarHBondContact O-N 3.25Å
170	D	88.4	Confident	92	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-73.6	-23.9	-177	-56.1	-38.8	0	0	0	111.7	L128 G166 N167 E168 H174	L128-D170 HydrophobicContact CD2-CB 4.26Å; G166-D170 WeakPolarHBondContact CA-OD2 2.98Å; N167-D170 PolarHBondContact N-OD2 2.77Å; N167-D170 VanDerWaalsContact O-CB 3.31Å; N167-D170 WeakPolarHBondContact O-CB 3.04Å; N167-D170 PolarHBondContact O-N 2.89Å; E168-D170 PolarHBondContact O-N 2.85Å; D170-H174 PolarHBondContact O-CE1 3.09Å; D170-H174 VanDerWaalsContact O-CE1 3.29Å; D170-H174 PolarHBondContact O-ND1 3.07Å
171	L	89.1	Confident	91.8	Very high	25 Å²	25	64.7 Å²	64.7	13%	0.131	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-86.9	-10.2	179	-71.9	-178.2	0	0	0	114.3	L116 F119 T127 L128 L154 E168 A169 D173 H174 V202	L116-L171 HydrophobicContact CB-CD1 4.35Å; L116-L171 HydrophobicContact CD1-CD1 3.67Å; F119-L171 HydrophobicContact CD1-CD2 4.41Å; F119-L171 HydrophobicContact CD2-CD2 4.15Å; F119-L171 HydrophobicContact CE1-CD2 4.36Å; F119-L171 HydrophobicContact CE2-CD1 4.45Å; F119-L171 HydrophobicContact CE2-CD2 4.11Å; F119-L171 HydrophobicContact CG-CD2 4.3Å; F119-L171 HydrophobicContact CZ-CD1 4.42Å; F119-L171 HydrophobicContact CZ-CD2 4.22Å; T127-L171 HydrophobicContact CG2-CD2 3.95Å; L128-L171 HydrophobicContact CD2-CD2 4.3Å; L128-L171 HydrophobicContact CD2-CG 4.49Å; L154-L171 HydrophobicContact CD1-CD1 3.48Å; L154-L171 VanDerWaalsContact CD1-CD1 3.48Å; L154-L171 HydrophobicContact CD1-CG 3.72Å; E168-L171 PolarHBondContact O-N 2.79Å; A169-L171 VanDerWaalsContact C-N 3.3Å; A169-L171 PolarHBondContact O-N 3.34Å; L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 3.29Å; L171-D173 VanDerWaalsContact O-N 3.16Å; L171-H174 PolarHBondContact O-N 3.2Å; L171-H174 VanDerWaalsContact O-N 3.1Å; L171-V202 HydrophobicContact CD1-CG1 3.98Å; L171-V202 HydrophobicContact CD2-CG2 4.33Å
172	Q	83.9	Confident	91.8	Very high	159 Å²	159	60 Å²	60	74%	0.743	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.3	-164.1	-169.3	150.7	-0.1	0	0	114.5	A169	A169-Q172 PolarHBondContact O-N 3.25Å
173	D	82	Confident	91.7	Very high	157 Å²	157	60.7 Å²	60.7	84%	0.84	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	2	180	-63.9	-39.4	0	0	0	113.5	L171	L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 3.29Å; L171-D173 VanDerWaalsContact O-N 3.16Å
174	H	85.9	Confident	91.6	Very high	67 Å²	67	64.1 Å²	64.1	31%	0.31	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-93.8	135.6	-176.9	-69.7	91	0	0	0	111.5	F119 D170 L171	F119-H174 HydrophobicContact CD1-CB 3.91Å; F119-H174 HydrophobicContact CE1-CB 4.49Å; D170-H174 PolarHBondContact O-CE1 3.09Å; D170-H174 VanDerWaalsContact O-CE1 3.29Å; D170-H174 PolarHBondContact O-ND1 3.07Å; L171-H174 PolarHBondContact O-N 3.2Å; L171-H174 VanDerWaalsContact O-N 3.1Å
175	V	87.6	Confident	91.6	Very high	121 Å²	121	65.6 Å²	65.6	73%	0.733	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-92.5	125.2	177.8	-178.4	0	0	0	0	109.1
176	E	90.8	Very high	91.6	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	139	172.9	-175.8	175.1	-161.3	0	0	110.5	G117 C118 F119	G117-E176 WeakPolarHBondContact CA-OE1 3.02Å; C118-E176 WeakPolarHBondContact O-CA 3.34Å; F119-E176 HydrophobicContact CE1-CB 4.12Å
177	S	91.3	Very high	91.7	Very high	33 Å²	33	70.6 Å²	70.6	23%	0.231	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	172.2	178.4	-66	0	0	0	0	111	C118 S179 W199	C118-S177 PolarHBondContact O-N 2.86Å; S177-S179 PolarHBondContact O-N 3.09Å; S177-W199 WeakPolarHBondContact OG-CH2 3.33Å; S177-W199 WeakPolarHBondContact OG-CZ3 3.29Å
178	S	90.3	Very high	91.7	Very high	37 Å²	37	69.5 Å²	69.5	26%	0.259	38%	0.379	S	S	.	.			trans	-58.5	134.7	-177.4	-177.9	0	0	0	0	110.6	D106 M180 E181	D106-S178 PolarHBondContact OD2-OG 3.44Å; D106-S178 VanDerWaalsContact OD2-OG 3.09Å; S178-M180 PolarHBondContact O-N 3.19Å; S178-M180 WeakPolarHBondContact OG-CE 3.25Å; S178-M180 PolarHBondContact OG-N 2.86Å; S178-E181 PolarHBondContact O-N 3.03Å; S178-E181 VanDerWaalsContact O-N 3.07Å
179	S	89.3	Confident	92	Very high	39 Å²	39	65.8 Å²	65.8	27%	0.273	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-51.3	-29.3	175.4	63.3	0	0	0	0	112.7	Q88 D106 S177 E181 C182 N183	Q88-S179 PolarHBondContact NE2-OG 2.56Å; D106-S179 PolarHBondContact OD1-OG 3.25Å; S177-S179 PolarHBondContact O-N 3.09Å; S179-E181 PolarHBondContact O-N 3.36Å; S179-C182 PolarHBondContact O-N 3.35Å; S179-C182 VanDerWaalsContact O-N 3.1Å; S179-N183 PolarHBondContact O-OD1 2.85Å
180	M	89.1	Confident	92.3	Very high	76 Å²	76	68.4 Å²	68.4	37%	0.374	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.7	-179.2	-65	-175.8	-75.3	0	0	114.4	D106 S178 C182 N183	D106-M180 HydrophobicContact CB-CE 3.63Å; D106-M180 HydrophobicContact CB-CG 4.04Å; D106-M180 HydrophobicContact CB-SD 3.86Å; S178-M180 PolarHBondContact O-N 3.19Å; S178-M180 WeakPolarHBondContact OG-CE 3.25Å; S178-M180 PolarHBondContact OG-N 2.86Å; M180-C182 PolarHBondContact O-N 3.35Å; M180-N183 WeakPolarHBondContact CA-ND2 3.45Å; M180-N183 PolarHBondContact O-ND2 3.42Å
181	E	94.6	Very high	92.7	Very high	94 Å²	94	68.8 Å²	68.8	44%	0.439	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-75	-17.1	179	-61.6	-66	168.8	0	0	112.2	S178 S179 G196 W199	S178-E181 PolarHBondContact O-N 3.03Å; S178-E181 VanDerWaalsContact O-N 3.07Å; S179-E181 PolarHBondContact O-N 3.36Å; E181-G196 WeakPolarHBondContact O-CA 3.47Å; E181-W199 HydrophobicContact CB-CB 4.38Å; E181-W199 HydrophobicContact CB-CD2 3.62Å; E181-W199 HydrophobicContact CB-CE3 4.18Å; E181-W199 HydrophobicContact CB-CG 3.72Å; E181-W199 HydrophobicContact CB-CZ2 4.27Å; E181-W199 HydrophobicContact CG-CD2 4.17Å; E181-W199 HydrophobicContact CG-CH2 4.43Å; E181-W199 HydrophobicContact CG-CZ2 3.85Å; E181-W199 PolarHBondContact OE2-NE1 2.74Å
182	C	96.4	Very high	93.2	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.007	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-103.6	24.6	-176.9	-79.2	0	0	0	0	114.2	C118 S179 M180 P193 G195 I201	C118-C182 VanDerWaalsContact CA-SG 3.55Å; C118-C182 HydrophobicContact CB-CB 3.68Å; C118-C182 WeakPolarHBondContact CB-SG 3.27Å; C118-C182 WeakPolarHBondContact SG-CB 3.01Å; C118-C182 CovalentContact SG-SG 2.03Å; C118-C182 PolarHBondContact SG-SG 2.89Å; S179-C182 PolarHBondContact O-N 3.35Å; S179-C182 VanDerWaalsContact O-N 3.1Å; M180-C182 PolarHBondContact O-N 3.35Å; C182-P193 WeakPolarHBondContact O-CB 3.42Å; C182-G195 CarbonylContact C-O 3.49Å; C182-G195 VanDerWaalsContact CA-C 3.47Å; C182-G195 VanDerWaalsContact CA-O 3.23Å; C182-G195 WeakPolarHBondContact CA-O 3.41Å; C182-G195 PolarHBondContact O-N 3.03Å; C182-G195 VanDerWaalsContact O-O 3.11Å; C182-I201 HydrophobicContact CB-CB 4.02Å
183	N	95.8	Very high	93.8	Very high	24 Å²	24	60.5 Å²	60.5	13%	0.128	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-94.1	18.6	-175	-74	-18.8	0	0	0	114.8	V87 Q88 S179 M180 V185 G195	V87-N183 HydrophobicContact CG2-CB 3.87Å; Q88-N183 PolarHBondContact OE1-ND2 2.91Å; S179-N183 PolarHBondContact O-OD1 2.85Å; M180-N183 WeakPolarHBondContact CA-ND2 3.45Å; M180-N183 PolarHBondContact O-ND2 3.42Å; N183-V185 PolarHBondContact O-N 2.83Å; N183-G195 PolarHBondContact N-O 2.95Å
184	H	96.9	Very high	94.6	Very high	72 Å²	72	53 Å²	53	33%	0.333	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.2	132.6	169.6	-76.9	-161.8	0	0	0	109.8	C186 C194 G195 D197	H184-C186 PolarHBondContact O-N 3.1Å; H184-C194 PolarHBondContact O-N 2.93Å; H184-G195 WeakPolarHBondContact CA-O 3.47Å; H184-G195 WeakPolarHBondContact CB-O 3.39Å; H184-G195 PolarHBondContact N-O 3.13Å; H184-D197 IonicContact CE1-OD1 2.68Å; H184-D197 PolarHBondContact CE1-OD1 3.28Å; H184-D197 VanDerWaalsContact CE1-OD1 3.26Å; H184-D197 IonicContact CE1-OD2 3.67Å; H184-D197 IonicContact ND1-OD1 3Å
185	V	98	Very high	95.1	Very high	59 Å²	59	49.9 Å²	49.9	36%	0.358	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-61.8	136.9	176.2	-65.9	0	0	0	0	110.9	V87 G160 N183 H190	V87-V185 HydrophobicContact CG1-CG1 3.75Å; G160-V185 WeakPolarHBondContact CA-O 3.29Å; N183-V185 PolarHBondContact O-N 2.83Å; V185-H190 HydrophobicContact CB-CB 4.46Å; V185-H190 HydrophobicContact CG1-CB 4.48Å
186	C	98.5	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.1	137.8	168.5	-57	0	0	0	0	110.4	L138 H184 G188 D189 H190 Q192 P193 C194	L138-C186 WeakPolarHBondContact O-CB 2.98Å; H184-C186 PolarHBondContact O-N 3.1Å; C186-G188 VanDerWaalsContact C-N 3.27Å; C186-G188 PolarHBondContact O-N 3.09Å; C186-D189 WeakPolarHBondContact CB-O 3.31Å; C186-D189 CarbonylContact O-C 3.36Å; C186-D189 VanDerWaalsContact O-C 3.3Å; C186-D189 PolarHBondContact O-N 2.76Å; C186-H190 PolarHBondContact O-CD2 3.48Å; C186-Q192 HydrophobicContact CB-CB 4.17Å; C186-Q192 PolarHBondContact N-O 3.02Å; C186-Q192 WeakPolarHBondContact SG-CB 3.27Å; C186-Q192 PolarHBondContact SG-O 3.46Å; C186-P193 VanDerWaalsContact SG-C 3.6Å; C186-C194 VanDerWaalsContact CA-SG 3.59Å; C186-C194 HydrophobicContact CB-CB 3.81Å; C186-C194 WeakPolarHBondContact CB-SG 3.47Å; C186-C194 WeakPolarHBondContact SG-CB 3.49Å; C186-C194 CovalentContact SG-SG 2.01Å; C186-C194 PolarHBondContact SG-SG 3.47Å
187	F	98.3	Very high	95.7	Very high	106 Å²	106	45 Å²	45	47%	0.465	25%	0.247	S	C	.	.	S	Bend	trans	-67.5	-26.4	-177.1	-83.7	30.3	0	0	0	113.6	L138 G160 Y161	L138-F187 PolarHBondContact O-N 2.87Å; G160-F187 WeakPolarHBondContact O-CD1 3.39Å; G160-F187 PolarHBondContact O-N 2.81Å; Y161-F187 HydrophobicContact CD1-CE1 4.31Å; Y161-F187 HydrophobicContact CD1-CE2 4.25Å; Y161-F187 AromaticContact CD1-CZ 3.9Å; Y161-F187 HydrophobicContact CD1-CZ 3.9Å
188	G	97.6	Very high	95.9	Very high	40 Å²	40	44.6 Å²	44.6	41%	0.412	25%	0.248	S	C	.	.	S	Bend	trans	-84.4	-29.9	177	0	0	0	0	0	113.9	L138 C186	L138-G188 VanDerWaalsContact O-CA 3.3Å; L138-G188 WeakPolarHBondContact O-CA 3.47Å; L138-G188 PolarHBondContact O-N 3.34Å; C186-G188 VanDerWaalsContact C-N 3.27Å; C186-G188 PolarHBondContact O-N 3.09Å
189	D	97.8	Very high	96.2	Very high	51 Å²	51	45 Å²	45	27%	0.273	24%	0.244	S	C	.	.			trans	-148	111.3	179.6	-168.9	-19.5	0	0	0	111	T139 C186 T191 Q192	T139-D189 HydrophobicContact CG2-CB 4Å; C186-D189 WeakPolarHBondContact CB-O 3.31Å; C186-D189 CarbonylContact O-C 3.36Å; C186-D189 VanDerWaalsContact O-C 3.3Å; C186-D189 PolarHBondContact O-N 2.76Å; D189-T191 VanDerWaalsContact CG-OG1 3.24Å; D189-T191 PolarHBondContact O-N 2.87Å; D189-T191 VanDerWaalsContact O-N 3.14Å; D189-T191 WeakPolarHBondContact OD1-CB 3.4Å; D189-T191 WeakPolarHBondContact OD1-CG2 3.34Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 2.72Å; D189-T191 PolarHBondContact OD2-OG1 3.46Å; D189-Q192 HydrophobicContact CB-CG 4.29Å; D189-Q192 PolarHBondContact O-N 2.91Å; D189-Q192 PolarHBondContact OD2-NE2 3Å
190	H	97.3	Very high	96.5	Very high	129 Å²	129	43.2 Å²	43.2	60%	0.597	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.2	-175.9	-61.8	-177.2	0	0	0	113.9	V185 C186 Q192	V185-H190 HydrophobicContact CB-CB 4.46Å; V185-H190 HydrophobicContact CG1-CB 4.48Å; C186-H190 PolarHBondContact O-CD2 3.48Å; H190-Q192 VanDerWaalsContact C-N 3.28Å
191	T	97	Very high	97	Very high	54 Å²	54	39.9 Å²	39.9	33%	0.331	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.7	176.1	66.5	0	0	0	0	113	N32 G85 D189	N32-T191 VanDerWaalsContact CB-O 3.26Å; N32-T191 WeakPolarHBondContact CB-O 3.41Å; N32-T191 PolarHBondContact ND2-O 3.05Å; N32-T191 VanDerWaalsContact ND2-O 3.15Å; G85-T191 WeakPolarHBondContact O-CA 3.47Å; G85-T191 VanDerWaalsContact O-CB 3.28Å; G85-T191 WeakPolarHBondContact O-CB 3.45Å; G85-T191 WeakPolarHBondContact O-CG2 3.38Å; D189-T191 VanDerWaalsContact CG-OG1 3.24Å; D189-T191 PolarHBondContact O-N 2.87Å; D189-T191 VanDerWaalsContact O-N 3.14Å; D189-T191 WeakPolarHBondContact OD1-CB 3.4Å; D189-T191 WeakPolarHBondContact OD1-CG2 3.34Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 2.72Å; D189-T191 PolarHBondContact OD2-OG1 3.46Å
192	Q	98	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	19%	0.194	C	C	.	.	S	Bend	trans	-115.5	140.3	-172.1	-64.5	179	13.8	0	0	112.3	V87 I140 C186 D189 H190 D228	V87-Q192 WeakPolarHBondContact CG1-O 3.35Å; I140-Q192 HydrophobicContact CD1-CB 3.86Å; I140-Q192 HydrophobicContact CD1-CG 4.23Å; I140-Q192 HydrophobicContact CG1-CB 4.22Å; C186-Q192 HydrophobicContact CB-CB 4.17Å; C186-Q192 PolarHBondContact N-O 3.02Å; C186-Q192 WeakPolarHBondContact SG-CB 3.27Å; C186-Q192 PolarHBondContact SG-O 3.46Å; D189-Q192 HydrophobicContact CB-CG 4.29Å; D189-Q192 PolarHBondContact O-N 2.91Å; D189-Q192 PolarHBondContact OD2-NE2 3Å; H190-Q192 VanDerWaalsContact C-N 3.28Å; Q192-D228 PolarHBondContact NE2-OD1 3.45Å
193	P	97.8	Very high	97.2	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.032	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-79.6	130	171	30.2	-32.6	0	0	0	111.9	V87 I140 C182 C186 I201	V87-P193 HydrophobicContact CB-CB 4.22Å; I140-P193 HydrophobicContact CD1-CG 4.43Å; C182-P193 WeakPolarHBondContact O-CB 3.42Å; C186-P193 VanDerWaalsContact SG-C 3.6Å; P193-I201 HydrophobicContact CB-CD1 4.24Å; P193-I201 HydrophobicContact CG-CD1 4.09Å
194	C	98.1	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.			trans	-129.5	52	178.9	-87.1	0	0	0	0	111.7	M157 E158 S159 G160 H184 C186	M157-C194 HydrophobicContact CB-CB 4.02Å; E158-C194 CarbonylContact C-O 3.45Å; S159-C194 PolarHBondContact N-O 2.91Å; G160-C194 PolarHBondContact N-O 2.81Å; H184-C194 PolarHBondContact O-N 2.93Å; C186-C194 VanDerWaalsContact CA-SG 3.59Å; C186-C194 HydrophobicContact CB-CB 3.81Å; C186-C194 WeakPolarHBondContact CB-SG 3.47Å; C186-C194 WeakPolarHBondContact SG-CB 3.49Å; C186-C194 CovalentContact SG-SG 2.01Å; C186-C194 PolarHBondContact SG-SG 3.47Å
195	G	97.2	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	78.8	-150.8	173	0	0	0	0	0	112.6	M157 C182 N183 H184 W199 I201	M157-G195 WeakPolarHBondContact O-CA 3.35Å; C182-G195 CarbonylContact C-O 3.49Å; C182-G195 VanDerWaalsContact CA-C 3.47Å; C182-G195 VanDerWaalsContact CA-O 3.23Å; C182-G195 WeakPolarHBondContact CA-O 3.41Å; C182-G195 PolarHBondContact O-N 3.03Å; C182-G195 VanDerWaalsContact O-O 3.11Å; N183-G195 PolarHBondContact N-O 2.95Å; H184-G195 WeakPolarHBondContact CA-O 3.47Å; H184-G195 WeakPolarHBondContact CB-O 3.39Å; H184-G195 PolarHBondContact N-O 3.13Å; G195-W199 CarbonylContact C-O 3.58Å; G195-W199 VanDerWaalsContact CA-O 3.32Å; G195-W199 WeakPolarHBondContact CA-O 3.38Å; G195-I201 VanDerWaalsContact N-CG2 3.33Å
196	G	96.1	Very high	97.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-158.9	-173.6	-178.2	0	0	0	0	0	111	E158 S159 E181 G198 W199	E158-G196 VanDerWaalsContact CG-O 3.32Å; E158-G196 WeakPolarHBondContact CG-O 3.42Å; S159-G196 PolarHBondContact N-O 3.25Å; S159-G196 PolarHBondContact OG-O 2.75Å; E181-G196 WeakPolarHBondContact O-CA 3.47Å; G196-G198 PolarHBondContact O-N 2.89Å; G196-G198 VanDerWaalsContact O-N 3.16Å; G196-W199 PolarHBondContact N-O 3.33Å; G196-W199 PolarHBondContact O-N 3.31Å
197	D	94.6	Very high	97.3	Very high	120 Å²	120	35.8 Å²	35.8	64%	0.642	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	103.3	175.3	-68.2	-23.6	0	0	0	109.9	H184 W199	H184-D197 IonicContact CE1-OD1 2.68Å; H184-D197 PolarHBondContact CE1-OD1 3.28Å; H184-D197 VanDerWaalsContact CE1-OD1 3.26Å; H184-D197 IonicContact CE1-OD2 3.67Å; H184-D197 IonicContact ND1-OD1 3Å; D197-W199 VanDerWaalsContact C-N 3.32Å
198	G	94.4	Very high	97.3	Very high	24 Å²	24	30.8 Å²	30.8	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	20.2	-173.8	0	0	0	0	0	113.9	D121 E158 G196	D121-G198 PolarHBondContact N-O 2.81Å; E158-G198 VanDerWaalsContact OE1-CA 3.28Å; E158-G198 WeakPolarHBondContact OE1-CA 3.4Å; E158-G198 PolarHBondContact OE1-N 3.4Å; G196-G198 PolarHBondContact O-N 2.89Å; G196-G198 VanDerWaalsContact O-N 3.16Å
199	W	96.8	Very high	97.3	Very high	46 Å²	46	29.4 Å²	29.4	17%	0.174	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.8	-179.2	-66.2	108.2	0	0	0	110.2	F119 K120 S177 E181 G195 G196 D197	F119-W199 CarbonylContact O-C 3.37Å; F119-W199 WeakPolarHBondContact O-CA 3.5Å; K120-W199 VanDerWaalsContact CA-CE3 3.42Å; K120-W199 VanDerWaalsContact CA-CZ3 3.43Å; K120-W199 HydrophobicContact CB-CE3 3.87Å; K120-W199 HydrophobicContact CB-CH2 3.92Å; K120-W199 HydrophobicContact CB-CZ3 3.35Å; K120-W199 HydrophobicContact CD-CH2 4.1Å; K120-W199 HydrophobicContact CD-CZ3 4.38Å; K120-W199 HydrophobicContact CG-CE3 4.23Å; K120-W199 HydrophobicContact CG-CH2 4.01Å; K120-W199 HydrophobicContact CG-CZ2 4.47Å; K120-W199 HydrophobicContact CG-CZ3 3.84Å; S177-W199 WeakPolarHBondContact OG-CH2 3.33Å; S177-W199 WeakPolarHBondContact OG-CZ3 3.29Å; E181-W199 HydrophobicContact CB-CB 4.38Å; E181-W199 HydrophobicContact CB-CD2 3.62Å; E181-W199 HydrophobicContact CB-CE3 4.18Å; E181-W199 HydrophobicContact CB-CG 3.72Å; E181-W199 HydrophobicContact CB-CZ2 4.27Å; E181-W199 HydrophobicContact CG-CD2 4.17Å; E181-W199 HydrophobicContact CG-CH2 4.43Å; E181-W199 HydrophobicContact CG-CZ2 3.85Å; E181-W199 PolarHBondContact OE2-NE1 2.74Å; G195-W199 CarbonylContact C-O 3.58Å; G195-W199 VanDerWaalsContact CA-O 3.32Å; G195-W199 WeakPolarHBondContact CA-O 3.38Å; G196-W199 PolarHBondContact N-O 3.33Å; G196-W199 PolarHBondContact O-N 3.31Å; D197-W199 VanDerWaalsContact C-N 3.32Å
200	I	97.4	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.5	-178	-169	172.9	0	0	0	110.2	F119 D121 T127 L128 M157 F164 V202	F119-I200 HydrophobicContact CB-CG2 3.91Å; F119-I200 PolarHBondContact N-O 2.99Å; F119-I200 PolarHBondContact O-N 2.59Å; D121-I200 HydrophobicContact CB-CG2 4.41Å; T127-I200 HydrophobicContact CG2-CG2 3.93Å; L128-I200 HydrophobicContact CD1-CD1 4.05Å; L128-I200 HydrophobicContact CG-CD1 4.16Å; M157-I200 WeakPolarHBondContact O-CA 3.41Å; F164-I200 HydrophobicContact CB-CD1 4.03Å; F164-I200 HydrophobicContact CD2-CD1 3.94Å; F164-I200 HydrophobicContact CG-CD1 4.26Å; I200-V202 HydrophobicContact CD1-CG2 4.44Å; I200-V202 HydrophobicContact CG1-CG2 4.14Å; I200-V202 HydrophobicContact CG2-CG2 4.14Å
201	I	98.1	Very high	97.2	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.2	168.8	-168.9	171.6	0	0	0	108.5	G156 M157 C182 P193 G195 F203	G156-I201 CarbonylContact C-O 3.49Å; G156-I201 WeakPolarHBondContact CA-O 3.33Å; M157-I201 HydrophobicContact CB-CG2 3.97Å; M157-I201 PolarHBondContact N-O 3.36Å; M157-I201 PolarHBondContact O-N 3.5Å; M157-I201 HydrophobicContact SD-CG2 4.01Å; C182-I201 HydrophobicContact CB-CB 4.02Å; P193-I201 HydrophobicContact CB-CD1 4.24Å; P193-I201 HydrophobicContact CG-CD1 4.09Å; G195-I201 VanDerWaalsContact N-CG2 3.33Å; I201-F203 HydrophobicContact CB-CE2 4.38Å; I201-F203 HydrophobicContact CD1-CE2 3.72Å; I201-F203 HydrophobicContact CD1-CZ 3.86Å; I201-F203 HydrophobicContact CG1-CD2 4.39Å; I201-F203 HydrophobicContact CG1-CE2 3.64Å; I201-F203 HydrophobicContact CG1-CZ 4.2Å; I201-F203 HydrophobicContact CG2-CE2 3.99Å
202	V	98.1	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.1	-170.9	-176	0	0	0	0	111.6	N115 L116 G117 F119 L128 L154 A155 L171 I200	N115-V202 PolarHBondContact OD1-O 3.29Å; L116-V202 HydrophobicContact CB-CB 4.47Å; L116-V202 HydrophobicContact CD1-CG1 4.28Å; L116-V202 PolarHBondContact N-O 2.65Å; G117-V202 PolarHBondContact O-N 3.45Å; F119-V202 HydrophobicContact CD2-CB 4.12Å; F119-V202 HydrophobicContact CD2-CG2 3.7Å; F119-V202 HydrophobicContact CE2-CB 4.06Å; F119-V202 HydrophobicContact CE2-CG2 4.14Å; L128-V202 HydrophobicContact CD1-CG1 4.15Å; L128-V202 HydrophobicContact CD1-CG2 4.22Å; L154-V202 HydrophobicContact CB-CG1 4.21Å; L154-V202 HydrophobicContact CD1-CG1 4.23Å; A155-V202 CarbonylContact O-C 3.56Å; A155-V202 WeakPolarHBondContact O-CA 3.33Å; L171-V202 HydrophobicContact CD1-CG1 3.98Å; L171-V202 HydrophobicContact CD2-CG2 4.33Å; I200-V202 HydrophobicContact CD1-CG2 4.44Å; I200-V202 HydrophobicContact CG1-CG2 4.14Å; I200-V202 HydrophobicContact CG2-CG2 4.14Å
203	F	98.4	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.1	-178.4	-69.9	-97	0	0	0	112.2	M112 G114 N115 I140 I144 L154 A155 M157 I201	M112-F203 HydrophobicContact CG-CE1 4.48Å; M112-F203 HydrophobicContact SD-CE1 4.07Å; G114-F203 CarbonylContact O-C 3.48Å; G114-F203 VanDerWaalsContact O-CA 3.27Å; G114-F203 WeakPolarHBondContact O-CA 3.38Å; N115-F203 HydrophobicContact CB-CD1 3.94Å; N115-F203 HydrophobicContact CB-CE1 3.58Å; N115-F203 HydrophobicContact CB-CZ 4.17Å; I140-F203 HydrophobicContact CD1-CE2 4.19Å; I140-F203 HydrophobicContact CD1-CZ 3.77Å; I140-F203 HydrophobicContact CG1-CE2 4.21Å; I140-F203 HydrophobicContact CG1-CZ 4.27Å; I140-F203 HydrophobicContact CG2-CD1 4.22Å; I140-F203 HydrophobicContact CG2-CD2 4.16Å; I140-F203 HydrophobicContact CG2-CE1 4.09Å; I140-F203 HydrophobicContact CG2-CE2 4.02Å; I140-F203 HydrophobicContact CG2-CG 4.26Å; I140-F203 HydrophobicContact CG2-CZ 4Å; I144-F203 HydrophobicContact CD1-CB 3.84Å; I144-F203 HydrophobicContact CD1-CD1 4.48Å; I144-F203 HydrophobicContact CD1-CG 4.22Å; I144-F203 HydrophobicContact CG1-CB 4.12Å; L154-F203 WeakPolarHBondContact CA-O 3.41Å; A155-F203 PolarHBondContact N-O 2.88Å; A155-F203 PolarHBondContact O-N 3.44Å; M157-F203 HydrophobicContact CE-CB 4.44Å; M157-F203 HydrophobicContact CE-CD2 3.69Å; M157-F203 HydrophobicContact CE-CE2 4.31Å; M157-F203 HydrophobicContact CE-CG 4.33Å; M157-F203 HydrophobicContact SD-CD2 3.6Å; M157-F203 HydrophobicContact SD-CE2 3.94Å; I201-F203 HydrophobicContact CB-CE2 4.38Å; I201-F203 HydrophobicContact CD1-CE2 3.72Å; I201-F203 HydrophobicContact CD1-CZ 3.86Å; I201-F203 HydrophobicContact CG1-CD2 4.39Å; I201-F203 HydrophobicContact CG1-CE2 3.64Å; I201-F203 HydrophobicContact CG1-CZ 4.2Å; I201-F203 HydrophobicContact CG2-CE2 3.99Å
204	D	97.8	Very high	97.2	Very high	18 Å²	18	30.6 Å²	30.6	10%	0.096	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.5	166.5	-174.9	-41.4	0	0	0	109.9	G114 R206 V207	G114-D204 PolarHBondContact O-N 3.33Å; D204-R206 PolarHBondContact O-N 3.45Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 WeakPolarHBondContact OD1-CG 3.29Å; D204-R206 PolarHBondContact OD1-N 2.99Å; D204-R206 IonicContact OD1-NE 3.18Å; D204-R206 PolarHBondContact OD1-NE 2.76Å; D204-R206 IonicContact OD2-CZ 3.21Å; D204-R206 IonicContact OD2-NE 2.92Å; D204-R206 PolarHBondContact OD2-NE 3.01Å; D204-R206 IonicContact OD2-NH2 2.68Å; D204-R206 PolarHBondContact OD2-NH2 2.95Å; D204-V207 WeakPolarHBondContact O-CB 3.24Å; D204-V207 WeakPolarHBondContact O-CG2 3.32Å; D204-V207 PolarHBondContact O-N 2.9Å; D204-V207 VanDerWaalsContact O-N 3.13Å
205	V	97.9	Very high	97.1	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.079	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.1	-177.2	-60.4	0	0	0	0	114.4	I144 C147 R148 Y152 S153 A155 V207	I144-V205 HydrophobicContact CG2-CB 4.4Å; C147-V205 HydrophobicContact CB-CG1 4.03Å; R148-V205 HydrophobicContact CB-CB 4.09Å; R148-V205 HydrophobicContact CB-CG2 4.49Å; R148-V205 WeakPolarHBondContact CD-O 3.34Å; R148-V205 HydrophobicContact CG-CG2 4.49Å; R148-V205 PolarHBondContact NH1-O 3.21Å; Y152-V205 WeakPolarHBondContact O-CG2 3.46Å; S153-V205 WeakPolarHBondContact O-CG1 3.16Å; S153-V205 WeakPolarHBondContact O-CG2 3.34Å; S153-V205 PolarHBondContact O-N 3.09Å; S153-V205 VanDerWaalsContact O-N 3.09Å; A155-V205 HydrophobicContact CB-CG1 4.23Å; V205-V207 PolarHBondContact O-N 3.32Å
206	R	96.8	Very high	97	Very high	128 Å²	128	38 Å²	38	48%	0.483	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.9	174	-67.3	-179.3	-72.1	-177.1	-4.3	112.2	D204 G208 A209	D204-R206 PolarHBondContact O-N 3.45Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 WeakPolarHBondContact OD1-CG 3.29Å; D204-R206 PolarHBondContact OD1-N 2.99Å; D204-R206 IonicContact OD1-NE 3.18Å; D204-R206 PolarHBondContact OD1-NE 2.76Å; D204-R206 IonicContact OD2-CZ 3.21Å; D204-R206 IonicContact OD2-NE 2.92Å; D204-R206 PolarHBondContact OD2-NE 3.01Å; D204-R206 IonicContact OD2-NH2 2.68Å; D204-R206 PolarHBondContact OD2-NH2 2.95Å; R206-G208 PolarHBondContact O-N 3.41Å; R206-A209 VanDerWaalsContact O-CB 3.31Å; R206-A209 WeakPolarHBondContact O-CB 3.37Å; R206-A209 PolarHBondContact O-N 3.34Å
207	V	97.9	Very high	97	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.9	175.2	178.5	0	0	0	0	109.8	M112 Q141 I144 R148 D204 V205 A209 Y222	M112-V207 HydrophobicContact CE-CG1 4.06Å; Q141-V207 PolarHBondContact OE1-O 3.11Å; I144-V207 HydrophobicContact CD1-CB 4.17Å; I144-V207 HydrophobicContact CD1-CG1 4.33Å; R148-V207 PolarHBondContact NH1-O 3.1Å; D204-V207 WeakPolarHBondContact O-CB 3.24Å; D204-V207 WeakPolarHBondContact O-CG2 3.32Å; D204-V207 PolarHBondContact O-N 2.9Å; D204-V207 VanDerWaalsContact O-N 3.13Å; V205-V207 PolarHBondContact O-N 3.32Å; V207-A209 PolarHBondContact O-N 3.17Å; V207-Y222 HydrophobicContact CG1-CD2 4.08Å; V207-Y222 HydrophobicContact CG1-CE2 4.44Å; V207-Y222 HydrophobicContact CG2-CD2 4.42Å; V207-Y222 HydrophobicContact CG2-CE2 4.3Å
208	G	97.4	Very high	97	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	13.2	-179.1	0	0	0	0	0	115.6	Q141 R206 S223 P224 D225	Q141-G208 PolarHBondContact NE2-O 3.42Å; R206-G208 PolarHBondContact O-N 3.41Å; G208-S223 WeakPolarHBondContact CA-O 3.35Å; G208-P224 WeakPolarHBondContact O-CA 3.48Å; G208-D225 PolarHBondContact O-N 2.88Å
209	A	97.8	Very high	97	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	21%	0.207	C	C	.	.			trans	-71.4	139.4	179.3	0	0	0	0	0	111.6	R206 V207 G211 W238	R206-A209 VanDerWaalsContact O-CB 3.31Å; R206-A209 WeakPolarHBondContact O-CB 3.37Å; R206-A209 PolarHBondContact O-N 3.34Å; V207-A209 PolarHBondContact O-N 3.17Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 3.05Å; A209-W238 WeakPolarHBondContact O-CZ2 3.49Å; A209-W238 PolarHBondContact O-NE1 2.71Å; A209-W238 VanDerWaalsContact O-NE1 3.07Å
210	C	97.1	Very high	97	Very high	68 Å²	68	33.7 Å²	33.7	46%	0.459	20%	0.203	S	C	.	.	S	Bend	trans	-79	79.9	173.4	-173.9	0	0	0	0	110.4	P224 C236	C210-P224 HydrophobicContact CB-CB 4.37Å; C210-C236 WeakPolarHBondContact CA-SG 3.46Å; C210-C236 HydrophobicContact CB-CB 4.04Å; C210-C236 WeakPolarHBondContact CB-SG 3.47Å; C210-C236 VanDerWaalsContact SG-CA 3.52Å; C210-C236 WeakPolarHBondContact SG-CB 3.46Å; C210-C236 CovalentContact SG-SG 2.04Å; C210-C236 PolarHBondContact SG-SG 3.35Å
211	G	97	Very high	97.1	Very high	18 Å²	18	33.7 Å²	33.7	19%	0.186	20%	0.203	C	C	.	.			trans	98	171	-177.9	0	0	0	0	0	114.8	A209 Y237	A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 3.05Å; G211-Y237 WeakPolarHBondContact CA-O 3.47Å
212	G	96.5	Very high	97.1	Very high	29 Å²	29	33.8 Å²	33.8	30%	0.299	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	167.7	-176.9	0	0	0	0	0	112.6	W238 T239	G212-W238 CarbonylContact O-C 3.58Å; G212-W238 WeakPolarHBondContact O-CA 3.24Å; G212-T239 PolarHBondContact O-N 3.34Å
213	N	97.6	Very high	97	Very high	128 Å²	128	33.8 Å²	33.8	68%	0.684	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.7	179.2	-60	-12.5	0	0	0	109.5	T239	N213-T239 WeakPolarHBondContact CA-OG1 3.49Å; N213-T239 PolarHBondContact OD1-OG1 3.14Å
214	Y	97.7	Very high	96.9	Very high	26 Å²	26	33.8 Å²	33.8	10%	0.102	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.2	-174.6	-73.6	-102.6	0	0	0	109.1	I221 W238 T239 I240 Q241 Y314	Y214-I221 HydrophobicContact CD1-CD1 4.42Å; Y214-I221 HydrophobicContact CD1-CG1 4.17Å; Y214-I221 HydrophobicContact CD2-CD1 4.09Å; Y214-I221 HydrophobicContact CD2-CG1 4.38Å; Y214-I221 HydrophobicContact CE1-CD1 4.48Å; Y214-I221 HydrophobicContact CE1-CG1 3.82Å; Y214-I221 HydrophobicContact CE2-CD1 4.19Å; Y214-I221 HydrophobicContact CE2-CG1 4.09Å; Y214-I221 HydrophobicContact CG-CD1 4.22Å; Y214-I221 HydrophobicContact CG-CG1 4.43Å; Y214-W238 HydrophobicContact CD2-CB 4.45Å; Y214-W238 HydrophobicContact CE2-CB 4.44Å; Y214-W238 AromaticContact CE2-CD1 3.78Å; Y214-W238 HydrophobicContact CE2-CG 4.46Å; Y214-T239 PolarHBondContact N-O 2.97Å; Y214-I240 CarbonylContact O-C 3.52Å; Y214-I240 WeakPolarHBondContact O-CA 3.47Å; Y214-Q241 PolarHBondContact O-N 3.42Å; Y214-Y314 AromaticContact CD1-CE1 3.92Å; Y214-Y314 HydrophobicContact CD1-CE1 3.92Å; Y214-Y314 HydrophobicContact CG-CE1 4.35Å
215	T	96.9	Very high	96.9	Very high	99 Å²	99	33.7 Å²	33.7	61%	0.607	20%	0.202	S	C	*	.			trans	-119	-13.3	-178.1	56.5	0	0	0	0	113.2	Q241	T215-Q241 WeakPolarHBondContact CA-O 3.45Å
216	S	95.3	Very high	96.9	Very high	58 Å²	58	33.3 Å²	33.3	41%	0.406	20%	0.199	S	C	.	.	S	Bend	trans	-63.4	145.7	175.3	-62.2	0	0	0	0	111	A218 V242 Y314	S216-A218 WeakPolarHBondContact CB-O 3.46Å; S216-A218 PolarHBondContact O-N 3.38Å; S216-V242 WeakPolarHBondContact O-CG2 3.39Å; S216-Y314 VanDerWaalsContact O-CE2 3.24Å; S216-Y314 WeakPolarHBondContact O-CE2 3.17Å; S216-Y314 PolarHBondContact O-OH 3.31Å
217	P	95	Very high	96.9	Very high	65 Å²	65	27.9 Å²	27.9	42%	0.422	18%	0.181	S	C	.	.	S	Bend	trans	-66.1	-19.5	-178.6	27.8	-35.8	0	0	0	113.7	V242 A316	P217-V242 HydrophobicContact CB-CG1 4.47Å; P217-A316 WeakPolarHBondContact O-CB 3.47Å; P217-A316 PolarHBondContact O-N 3.29Å
218	A	95.3	Very high	96.8	Very high	15 Å²	15	29.1 Å²	29.1	12%	0.124	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.9	170.1	0	0	0	0	0	109.2	F24 S216 Y314	F24-A218 HydrophobicContact CD2-CB 3.75Å; F24-A218 HydrophobicContact CE2-CB 3.81Å; S216-A218 WeakPolarHBondContact CB-O 3.46Å; S216-A218 PolarHBondContact O-N 3.38Å; A218-Y314 WeakPolarHBondContact CA-O 3.36Å; A218-Y314 WeakPolarHBondContact CB-O 3.37Å
219	G	94.8	Very high	96.7	Very high	6 Å²	6	33.9 Å²	33.9	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	165.6	-178.9	0	0	0	0	0	112.3	Y314	G219-Y314 VanDerWaalsContact CA-CE1 3.46Å; G219-Y314 PolarHBondContact N-O 2.93Å; G219-Y314 VanDerWaalsContact N-O 3.17Å; G219-Y314 WeakPolarHBondContact O-CD1 3.36Å; G219-Y314 PolarHBondContact O-N 2.8Å
220	V	96.9	Very high	96.5	Very high	14 Å²	14	33.4 Å²	33.4	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.5	172.1	-178.5	0	0	0	0	109.4	F24 Y29 P113 Y222 A311 L312 L313	F24-V220 HydrophobicContact CD1-CG2 4.06Å; F24-V220 HydrophobicContact CE1-CG2 3.99Å; Y29-V220 HydrophobicContact CD1-CG1 4.3Å; Y29-V220 HydrophobicContact CD1-CG2 4.34Å; Y29-V220 HydrophobicContact CE1-CG2 4.02Å; P113-V220 HydrophobicContact CB-CB 4.05Å; P113-V220 HydrophobicContact CB-CG2 3.82Å; P113-V220 HydrophobicContact CG-CB 4.46Å; P113-V220 HydrophobicContact CG-CG2 3.79Å; V220-Y222 HydrophobicContact CB-CE2 4.33Å; V220-Y222 HydrophobicContact CG1-CD1 4.36Å; V220-Y222 HydrophobicContact CG1-CD2 4.32Å; V220-Y222 HydrophobicContact CG1-CE1 3.79Å; V220-Y222 HydrophobicContact CG1-CE2 3.76Å; V220-Y222 VanDerWaalsContact CG1-CZ 3.47Å; V220-A311 HydrophobicContact CG1-CB 4.39Å; V220-L312 CarbonylContact C-O 3.57Å; V220-L312 VanDerWaalsContact CA-O 3.3Å; V220-L312 WeakPolarHBondContact CA-O 3.34Å; V220-L313 HydrophobicContact CG2-CB 4.3Å; V220-L313 HydrophobicContact CG2-CD1 3.79Å
221	I	97.9	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129	174.8	-57.5	174.1	0	0	0	108	Y214 W238 I240 L297 L312 Y314	Y214-I221 HydrophobicContact CD1-CD1 4.42Å; Y214-I221 HydrophobicContact CD1-CG1 4.17Å; Y214-I221 HydrophobicContact CD2-CD1 4.09Å; Y214-I221 HydrophobicContact CD2-CG1 4.38Å; Y214-I221 HydrophobicContact CE1-CD1 4.48Å; Y214-I221 HydrophobicContact CE1-CG1 3.82Å; Y214-I221 HydrophobicContact CE2-CD1 4.19Å; Y214-I221 HydrophobicContact CE2-CG1 4.09Å; Y214-I221 HydrophobicContact CG-CD1 4.22Å; Y214-I221 HydrophobicContact CG-CG1 4.43Å; I221-W238 HydrophobicContact CD1-CB 4.07Å; I221-W238 HydrophobicContact CD1-CG 4.46Å; I221-W238 HydrophobicContact CG2-CB 4.48Å; I221-W238 HydrophobicContact CG2-CD2 3.77Å; I221-W238 HydrophobicContact CG2-CE3 4.42Å; I221-W238 HydrophobicContact CG2-CG 3.8Å; I221-W238 HydrophobicContact CG2-CZ2 4.39Å; I221-I240 HydrophobicContact CD1-CD1 3.6Å; I221-I240 HydrophobicContact CD1-CG1 3.84Å; I221-L297 HydrophobicContact CB-CD2 4.23Å; I221-L297 HydrophobicContact CD1-CD2 4.25Å; I221-L297 HydrophobicContact CG2-CD2 3.74Å; I221-L312 PolarHBondContact N-O 3.41Å; I221-L312 PolarHBondContact O-N 3.15Å; I221-Y314 HydrophobicContact CD1-CD1 4.3Å; I221-Y314 HydrophobicContact CD1-CE1 4.37Å; I221-Y314 HydrophobicContact CG1-CD1 4.45Å; I221-Y314 HydrophobicContact CG1-CE1 4.43Å
222	Y	97.9	Very high	96	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.5	177	-57.9	-83	0	0	0	111.3	Y29 M112 P113 V207 V220 F226 W238 F310 A311	Y29-Y222 WeakPolarHBondContact O-CE1 3.43Å; M112-Y222 HydrophobicContact CE-CD1 4.36Å; M112-Y222 HydrophobicContact CE-CD2 4.43Å; M112-Y222 HydrophobicContact CE-CE1 3.72Å; M112-Y222 HydrophobicContact CE-CE2 3.79Å; M112-Y222 WeakPolarHBondContact CE-OH 3.38Å; P113-Y222 WeakPolarHBondContact CD-OH 3.47Å; P113-Y222 WeakPolarHBondContact O-CE2 3.3Å; P113-Y222 PolarHBondContact O-OH 3.19Å; V207-Y222 HydrophobicContact CG1-CD2 4.08Å; V207-Y222 HydrophobicContact CG1-CE2 4.44Å; V207-Y222 HydrophobicContact CG2-CD2 4.42Å; V207-Y222 HydrophobicContact CG2-CE2 4.3Å; V220-Y222 HydrophobicContact CB-CE2 4.33Å; V220-Y222 HydrophobicContact CG1-CD1 4.36Å; V220-Y222 HydrophobicContact CG1-CD2 4.32Å; V220-Y222 HydrophobicContact CG1-CE1 3.79Å; V220-Y222 HydrophobicContact CG1-CE2 3.76Å; V220-Y222 VanDerWaalsContact CG1-CZ 3.47Å; Y222-F226 AromaticContact CD1-CD1 3.51Å; Y222-F226 HydrophobicContact CD1-CD1 3.51Å; Y222-F226 HydrophobicContact CD1-CD2 4.37Å; Y222-F226 AromaticContact CD1-CE1 3.54Å; Y222-F226 HydrophobicContact CD1-CE1 3.54Å; Y222-F226 HydrophobicContact CD1-CE2 4.39Å; Y222-F226 AromaticContact CD1-CG 3.95Å; Y222-F226 HydrophobicContact CD1-CG 3.95Å; Y222-F226 AromaticContact CD1-CZ 4Å; Y222-F226 HydrophobicContact CD1-CZ 4Å; Y222-F226 HydrophobicContact CE1-CD1 4.14Å; Y222-F226 AromaticContact CE1-CE1 3.8Å; Y222-F226 HydrophobicContact CE1-CE1 3.8Å; Y222-F226 HydrophobicContact CE1-CZ 4.31Å; Y222-F226 HydrophobicContact CG-CB 4.4Å; Y222-F226 AromaticContact CG-CD1 3.79Å; Y222-F226 HydrophobicContact CG-CD1 3.79Å; Y222-F226 HydrophobicContact CG-CE1 4.28Å; Y222-F226 HydrophobicContact CG-CG 4.1Å; Y222-W238 WeakPolarHBondContact O-CZ2 3.33Å; Y222-F310 CarbonylContact C-O 3.59Å; Y222-F310 WeakPolarHBondContact CA-O 3.28Å; Y222-A311 HydrophobicContact CD1-CB 3.62Å; Y222-A311 HydrophobicContact CE1-CB 3.57Å
223	S	96.9	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-54.6	154.8	167	49.8	0	0	0	0	111.7	G208 F226 G309 F310	G208-S223 WeakPolarHBondContact CA-O 3.35Å; S223-F226 VanDerWaalsContact O-CB 3.27Å; S223-F226 WeakPolarHBondContact O-CB 3.26Å; S223-F226 PolarHBondContact O-N 3.26Å; S223-G309 WeakPolarHBondContact OG-CA 3.2Å; S223-F310 PolarHBondContact N-O 3.49Å; S223-F310 PolarHBondContact OG-N 3.44Å
224	P	96.9	Very high	95.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	146	176.8	29.5	-35.8	0	0	0	110.2	G208 C210 F226 Y230 R234 F299	G208-P224 WeakPolarHBondContact O-CA 3.48Å; C210-P224 HydrophobicContact CB-CB 4.37Å; P224-F226 PolarHBondContact O-N 2.79Å; P224-Y230 WeakPolarHBondContact O-CA 3.19Å; P224-Y230 WeakPolarHBondContact O-CB 3.37Å; P224-R234 HydrophobicContact CG-CB 4.08Å; P224-R234 HydrophobicContact CG-CG 4.13Å; P224-F299 HydrophobicContact CG-CD1 3.55Å; P224-F299 HydrophobicContact CG-CE1 3.53Å
225	D	97	Very high	95.4	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.091	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	2.4	-178.8	-49	-53.6	0	0	0	115.6	Q141 G208 D228 A231 R234	Q141-D225 WeakPolarHBondContact CB-O 3.43Å; Q141-D225 HydrophobicContact CG-CB 4.26Å; Q141-D225 WeakPolarHBondContact CG-O 3.33Å; G208-D225 PolarHBondContact O-N 2.88Å; D225-D228 CarbonylContact C-O 3.56Å; D225-D228 CarbonylContact O-C 3.54Å; D225-D228 WeakPolarHBondContact O-CA 3.28Å; D225-D228 VanDerWaalsContact O-CB 3.24Å; D225-D228 WeakPolarHBondContact O-CB 3.26Å; D225-D228 PolarHBondContact O-N 3.21Å; D225-A231 WeakPolarHBondContact OD2-CB 3.25Å; D225-A231 PolarHBondContact OD2-N 3.16Å; D225-R234 IonicContact OD1-CZ 3.13Å; D225-R234 IonicContact OD1-NH2 2.85Å; D225-R234 PolarHBondContact OD1-NH2 2.89Å; D225-R234 VanDerWaalsContact OD1-NH2 3.13Å; D225-R234 IonicContact OD2-CZ 3.26Å; D225-R234 IonicContact OD2-NE 3.67Å; D225-R234 PolarHBondContact OD2-NE 3.29Å; D225-R234 IonicContact OD2-NH2 2.97Å; D225-R234 PolarHBondContact OD2-NH2 3Å
226	F	97.8	Very high	95.4	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.022	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	138	175.9	-164	-87.8	0	0	0	112.2	Y29 M112 Q141 Y222 S223 P224 F254 H308	Y29-F226 WeakPolarHBondContact O-CE1 3.43Å; Y29-F226 WeakPolarHBondContact O-CZ 3.36Å; M112-F226 HydrophobicContact CE-CD1 3.94Å; M112-F226 HydrophobicContact CE-CE1 3.62Å; M112-F226 HydrophobicContact SD-CE1 4.32Å; Q141-F226 PolarHBondContact OE1-O 3.14Å; Y222-F226 AromaticContact CD1-CD1 3.51Å; Y222-F226 HydrophobicContact CD1-CD1 3.51Å; Y222-F226 HydrophobicContact CD1-CD2 4.37Å; Y222-F226 AromaticContact CD1-CE1 3.54Å; Y222-F226 HydrophobicContact CD1-CE1 3.54Å; Y222-F226 HydrophobicContact CD1-CE2 4.39Å; Y222-F226 AromaticContact CD1-CG 3.95Å; Y222-F226 HydrophobicContact CD1-CG 3.95Å; Y222-F226 AromaticContact CD1-CZ 4Å; Y222-F226 HydrophobicContact CD1-CZ 4Å; Y222-F226 HydrophobicContact CE1-CD1 4.14Å; Y222-F226 AromaticContact CE1-CE1 3.8Å; Y222-F226 HydrophobicContact CE1-CE1 3.8Å; Y222-F226 HydrophobicContact CE1-CZ 4.31Å; Y222-F226 HydrophobicContact CG-CB 4.4Å; Y222-F226 AromaticContact CG-CD1 3.79Å; Y222-F226 HydrophobicContact CG-CD1 3.79Å; Y222-F226 HydrophobicContact CG-CE1 4.28Å; Y222-F226 HydrophobicContact CG-CG 4.1Å; S223-F226 VanDerWaalsContact O-CB 3.27Å; S223-F226 WeakPolarHBondContact O-CB 3.26Å; S223-F226 PolarHBondContact O-N 3.26Å; P224-F226 PolarHBondContact O-N 2.79Å; F226-F254 HydrophobicContact CE2-CD1 4.12Å; F226-F254 HydrophobicContact CE2-CE1 4.11Å; F226-H308 WeakPolarHBondContact CD2-O 3.32Å
227	P	97	Very high	95.5	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.3	-0.4	9.1	35	-37.5	0	0	0	115.5	A31 I140	A31-P227 HydrophobicContact CB-CB 3.81Å; A31-P227 HydrophobicContact CB-CG 3.94Å; I140-P227 HydrophobicContact CB-CG 3.72Å; I140-P227 HydrophobicContact CD1-CG 3.94Å; I140-P227 HydrophobicContact CG1-CG 4.41Å; I140-P227 HydrophobicContact CG2-CG 3.78Å
228	D	96.9	Very high	95.7	Very high	31 Å²	31	30.7 Å²	30.7	17%	0.166	16%	0.164	C	C	.	.	S	Bend	trans	-66.8	162.4	168.1	-61.3	-15.6	0	0	0	109.4	T139 Q141 Q192 D225	T139-D228 WeakPolarHBondContact CB-OD1 3.34Å; T139-D228 WeakPolarHBondContact CB-OD2 3.36Å; T139-D228 PolarHBondContact OG1-OD1 3.46Å; T139-D228 PolarHBondContact OG1-OD2 2.91Å; Q141-D228 HydrophobicContact CB-CB 4.27Å; Q192-D228 PolarHBondContact NE2-OD1 3.45Å; D225-D228 CarbonylContact C-O 3.56Å; D225-D228 CarbonylContact O-C 3.54Å; D225-D228 WeakPolarHBondContact O-CA 3.28Å; D225-D228 VanDerWaalsContact O-CB 3.24Å; D225-D228 WeakPolarHBondContact O-CB 3.26Å; D225-D228 PolarHBondContact O-N 3.21Å
229	K	94.8	Very high	95.8	Very high	101 Å²	101	31.1 Å²	31.1	44%	0.439	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-65.3	138.5	173.8	-61.4	-175.3	-179.3	-172.7	0	110	A231 Q306 A307	K229-A231 PolarHBondContact O-N 3.09Å; K229-Q306 HydrophobicContact CB-CB 4.01Å; K229-Q306 HydrophobicContact CD-CB 4.44Å; K229-A307 VanDerWaalsContact CA-O 3.22Å; K229-A307 WeakPolarHBondContact CA-O 3.33Å; K229-A307 VanDerWaalsContact CB-O 3.28Å; K229-A307 WeakPolarHBondContact CB-O 3.21Å
230	Y	93.8	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-58.4	138.9	178.1	60.1	-100.4	0	0	0	110.8	P224 I257 S258 D262 F299 S301 Q306 A307	P224-Y230 WeakPolarHBondContact O-CA 3.19Å; P224-Y230 WeakPolarHBondContact O-CB 3.37Å; Y230-I257 HydrophobicContact CE1-CD1 3.94Å; Y230-S258 WeakPolarHBondContact OH-CB 3.01Å; Y230-S258 PolarHBondContact OH-N 3.43Å; Y230-D262 VanDerWaalsContact CE2-OD2 3.29Å; Y230-D262 WeakPolarHBondContact CE2-OD2 3.42Å; Y230-D262 VanDerWaalsContact CZ-OD2 3.3Å; Y230-D262 PolarHBondContact OH-OD2 3.1Å; Y230-F299 HydrophobicContact CD1-CZ 4.07Å; Y230-F299 HydrophobicContact CD2-CE1 4.27Å; Y230-F299 AromaticContact CD2-CZ 3.88Å; Y230-F299 HydrophobicContact CD2-CZ 3.88Å; Y230-F299 HydrophobicContact CE1-CZ 4.27Å; Y230-F299 HydrophobicContact CE2-CZ 4.1Å; Y230-F299 HydrophobicContact CG-CE1 4.2Å; Y230-F299 AromaticContact CG-CZ 3.87Å; Y230-F299 HydrophobicContact CG-CZ 3.87Å; Y230-S301 WeakPolarHBondContact CE2-OG 3.41Å; Y230-Q306 WeakPolarHBondContact O-CB 3.32Å; Y230-Q306 WeakPolarHBondContact O-CG 3.29Å; Y230-Q306 PolarHBondContact O-NE2 2.74Å; Y230-A307 WeakPolarHBondContact CD1-O 3.46Å; Y230-A307 HydrophobicContact CE1-CB 3.63Å; Y230-A307 WeakPolarHBondContact CE1-O 3.48Å; Y230-A307 PolarHBondContact N-O 3.5Å
231	A	92.4	Very high	96	Very high	25 Å²	25	34.1 Å²	34.1	21%	0.207	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-72.8	157.1	175.6	0	0	0	0	0	111.8	D225 K229 R234 S301	D225-A231 WeakPolarHBondContact OD2-CB 3.25Å; D225-A231 PolarHBondContact OD2-N 3.16Å; K229-A231 PolarHBondContact O-N 3.09Å; A231-R234 HydrophobicContact CB-CG 4.24Å; A231-R234 WeakPolarHBondContact O-CG 3.45Å; A231-S301 PolarHBondContact O-OG 3.19Å
232	A	91.3	Very high	96	Very high	38 Å²	38	34.3 Å²	34.3	31%	0.314	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	154.2	171.1	0	0	0	0	0	111.5	R234 D302	A232-R234 VanDerWaalsContact C-N 3.31Å; A232-R234 PolarHBondContact O-N 3.47Å; A232-D302 CarbonylContact C-O 3.57Å; A232-D302 WeakPolarHBondContact CA-O 3.14Å; A232-D302 WeakPolarHBondContact CB-O 3.42Å
233	S	90.4	Very high	95.8	Very high	69 Å²	69	37.8 Å²	37.8	48%	0.483	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	34.3	174.6	-53.2	0	0	0	0	113.6	S301 D302	S233-S301 VanDerWaalsContact CA-O 3.29Å; S233-S301 WeakPolarHBondContact CA-O 3.3Å; S233-S301 PolarHBondContact N-O 2.98Å; S233-D302 PolarHBondContact N-O 3.22Å
234	R	91.9	Very high	95.6	Very high	87 Å²	87	40.5 Å²	40.5	33%	0.328	23%	0.23	S	C	.	.			trans	-86.3	136	175	-67.4	-67.4	-165.1	-155.9	0.6	110.4	P224 D225 A231 A232 F299 F300 S301	P224-R234 HydrophobicContact CG-CB 4.08Å; P224-R234 HydrophobicContact CG-CG 4.13Å; D225-R234 IonicContact OD1-CZ 3.13Å; D225-R234 IonicContact OD1-NH2 2.85Å; D225-R234 PolarHBondContact OD1-NH2 2.89Å; D225-R234 VanDerWaalsContact OD1-NH2 3.13Å; D225-R234 IonicContact OD2-CZ 3.26Å; D225-R234 IonicContact OD2-NE 3.67Å; D225-R234 PolarHBondContact OD2-NE 3.29Å; D225-R234 IonicContact OD2-NH2 2.97Å; D225-R234 PolarHBondContact OD2-NH2 3Å; A231-R234 HydrophobicContact CB-CG 4.24Å; A231-R234 WeakPolarHBondContact O-CG 3.45Å; A232-R234 VanDerWaalsContact C-N 3.31Å; A232-R234 PolarHBondContact O-N 3.47Å; R234-F299 HydrophobicContact CB-CE1 4.31Å; R234-F300 WeakPolarHBondContact O-CA 3.41Å; R234-S301 PolarHBondContact O-N 3.17Å
235	V	95.4	Very high	95.4	Very high	74 Å²	74	41 Å²	41	45%	0.448	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	102.4	171.8	-175.6	0	0	0	0	106.6	Y298 F299 F300	V235-Y298 HydrophobicContact CG1-CE1 4.11Å; V235-Y298 HydrophobicContact CG1-CE2 4.25Å; V235-Y298 WeakPolarHBondContact CG1-OH 3.06Å; V235-F299 WeakPolarHBondContact CA-O 3.34Å; V235-F300 HydrophobicContact CG2-CD2 3.96Å; V235-F300 HydrophobicContact CG2-CE2 4.35Å
236	C	97.1	Very high	95.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	-172.7	-54.1	0	0	0	0	109.7	C210 W238 F299	C210-C236 WeakPolarHBondContact CA-SG 3.46Å; C210-C236 HydrophobicContact CB-CB 4.04Å; C210-C236 WeakPolarHBondContact CB-SG 3.47Å; C210-C236 VanDerWaalsContact SG-CA 3.52Å; C210-C236 WeakPolarHBondContact SG-CB 3.46Å; C210-C236 CovalentContact SG-SG 2.04Å; C210-C236 PolarHBondContact SG-SG 3.35Å; C236-W238 HydrophobicContact CB-CH2 3.55Å; C236-W238 HydrophobicContact CB-CZ2 3.98Å; C236-W238 HydrophobicContact CB-CZ3 3.9Å; C236-F299 PolarHBondContact N-O 3.39Å; C236-F299 PolarHBondContact O-N 3.18Å
237	Y	97.9	Very high	95.2	Very high	138 Å²	138	46.5 Å²	46.5	54%	0.541	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139	174.1	69.2	-87.9	0	0	0	111.2	G211 T239 L297	G211-Y237 WeakPolarHBondContact CA-O 3.47Å; Y237-T239 HydrophobicContact CD2-CG2 4.35Å; Y237-T239 HydrophobicContact CE2-CG2 4.41Å; Y237-L297 CarbonylContact C-O 3.6Å; Y237-L297 WeakPolarHBondContact CA-O 3.41Å
238	W	98.6	Very high	95.2	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.8	177.2	-56	-99.6	0	0	0	108.9	A209 G212 Y214 I221 Y222 C236 I296 L297 F299 F310	A209-W238 WeakPolarHBondContact O-CZ2 3.49Å; A209-W238 PolarHBondContact O-NE1 2.71Å; A209-W238 VanDerWaalsContact O-NE1 3.07Å; G212-W238 CarbonylContact O-C 3.58Å; G212-W238 WeakPolarHBondContact O-CA 3.24Å; Y214-W238 HydrophobicContact CD2-CB 4.45Å; Y214-W238 HydrophobicContact CE2-CB 4.44Å; Y214-W238 AromaticContact CE2-CD1 3.78Å; Y214-W238 HydrophobicContact CE2-CG 4.46Å; I221-W238 HydrophobicContact CD1-CB 4.07Å; I221-W238 HydrophobicContact CD1-CG 4.46Å; I221-W238 HydrophobicContact CG2-CB 4.48Å; I221-W238 HydrophobicContact CG2-CD2 3.77Å; I221-W238 HydrophobicContact CG2-CE3 4.42Å; I221-W238 HydrophobicContact CG2-CG 3.8Å; I221-W238 HydrophobicContact CG2-CZ2 4.39Å; Y222-W238 WeakPolarHBondContact O-CZ2 3.33Å; C236-W238 HydrophobicContact CB-CH2 3.55Å; C236-W238 HydrophobicContact CB-CZ2 3.98Å; C236-W238 HydrophobicContact CB-CZ3 3.9Å; W238-I296 WeakPolarHBondContact O-CA 3.03Å; W238-L297 HydrophobicContact CB-CB 4.37Å; W238-L297 HydrophobicContact CD2-CD2 4.18Å; W238-L297 HydrophobicContact CE3-CB 4.14Å; W238-L297 HydrophobicContact CE3-CD2 3.61Å; W238-L297 HydrophobicContact CE3-CG 3.77Å; W238-L297 HydrophobicContact CZ3-CD2 4.06Å; W238-L297 HydrophobicContact CZ3-CG 4.19Å; W238-L297 PolarHBondContact N-O 3.43Å; W238-L297 PolarHBondContact O-N 3.45Å; W238-F299 HydrophobicContact CH2-CB 3.95Å; W238-F299 HydrophobicContact CZ3-CB 3.71Å; W238-F310 HydrophobicContact CH2-CZ 4.09Å; W238-F310 HydrophobicContact CZ3-CZ 4.16Å
239	T	98.3	Very high	95.1	Very high	25 Å²	25	46.3 Å²	46.3	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.1	177.1	62.5	0	0	0	0	109.1	G212 N213 Y214 Y237 F294 I296	G212-T239 PolarHBondContact O-N 3.34Å; N213-T239 WeakPolarHBondContact CA-OG1 3.49Å; N213-T239 PolarHBondContact OD1-OG1 3.14Å; Y214-T239 PolarHBondContact N-O 2.97Å; Y237-T239 HydrophobicContact CD2-CG2 4.35Å; Y237-T239 HydrophobicContact CE2-CG2 4.41Å; T239-F294 HydrophobicContact CG2-CE2 4.31Å; T239-I296 HydrophobicContact CG2-CG1 4.48Å
240	I	98.4	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	99.9	178.9	-53.6	168.4	0	0	0	106.4	Y214 I221 V242 I248 F250 F294 V295 Y314	Y214-I240 CarbonylContact O-C 3.52Å; Y214-I240 WeakPolarHBondContact O-CA 3.47Å; I221-I240 HydrophobicContact CD1-CD1 3.6Å; I221-I240 HydrophobicContact CD1-CG1 3.84Å; I240-V242 HydrophobicContact CG2-CG2 4.34Å; I240-I248 HydrophobicContact CG2-CD1 4.15Å; I240-F250 HydrophobicContact CD1-CE1 3.62Å; I240-F250 HydrophobicContact CD1-CZ 4.21Å; I240-F294 WeakPolarHBondContact O-CA 3.41Å; I240-V295 PolarHBondContact N-O 3.27Å; I240-V295 PolarHBondContact O-N 3.16Å; I240-Y314 HydrophobicContact CD1-CD1 4.22Å; I240-Y314 HydrophobicContact CD1-CG 4.42Å; I240-Y314 HydrophobicContact CG2-CD2 3.87Å; I240-Y314 HydrophobicContact CG2-CE1 4.39Å; I240-Y314 HydrophobicContact CG2-CE2 3.75Å; I240-Y314 HydrophobicContact CG2-CG 4.26Å
241	Q	97.6	Very high	95.3	Very high	83 Å²	83	44.2 Å²	44.2	39%	0.388	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	106.9	-177.1	-170.8	176.7	11.9	0	0	109.3	Y214 T215 P243 D293 F294	Y214-Q241 PolarHBondContact O-N 3.42Å; T215-Q241 WeakPolarHBondContact CA-O 3.45Å; Q241-P243 WeakPolarHBondContact O-CD 3.5Å; Q241-D293 CarbonylContact C-O 3.56Å; Q241-D293 WeakPolarHBondContact CA-O 3.05Å; Q241-F294 HydrophobicContact CB-CD2 3.86Å; Q241-F294 HydrophobicContact CB-CE2 4.42Å; Q241-F294 HydrophobicContact CB-CG 4.45Å; Q241-F294 HydrophobicContact CG-CB 4.32Å; Q241-F294 HydrophobicContact CG-CD2 4.2Å; Q241-F294 HydrophobicContact CG-CG 4.3Å
242	V	96.9	Very high	95.4	Very high	3 Å²	3	44 Å²	44	2%	0.018	24%	0.24	C	C	.	.			trans	-119.4	84.7	-177.3	-172.7	0	0	0	0	109.3	S216 P217 I240 G244 S245 D293 Y314 A316	S216-V242 WeakPolarHBondContact O-CG2 3.39Å; P217-V242 HydrophobicContact CB-CG1 4.47Å; I240-V242 HydrophobicContact CG2-CG2 4.34Å; V242-G244 PolarHBondContact O-N 3.39Å; V242-S245 WeakPolarHBondContact O-CB 3.35Å; V242-S245 PolarHBondContact O-N 2.69Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.47Å; V242-D293 PolarHBondContact N-O 2.93Å; V242-D293 WeakPolarHBondContact O-CB 3.48Å; V242-Y314 HydrophobicContact CG2-CE2 4.43Å; V242-A316 HydrophobicContact CB-CB 3.95Å; V242-A316 HydrophobicContact CG1-CB 3.7Å; V242-A316 HydrophobicContact CG2-CB 4.09Å
243	P	95.1	Very high	95.4	Very high	81 Å²	81	44.2 Å²	44.2	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133.2	-174.4	-27.8	34.9	0	0	0	113.2	Q241 S245 R318	Q241-P243 WeakPolarHBondContact O-CD 3.5Å; P243-S245 VanDerWaalsContact C-N 3.31Å; P243-R318 PolarHBondContact O-NH2 3.15Å
244	G	91.6	Very high	95.3	Very high	58 Å²	58	43 Å²	43	60%	0.598	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	7.1	179.2	0	0	0	0	0	114.9	V242	V242-G244 PolarHBondContact O-N 3.39Å
245	S	94.3	Very high	95.3	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	22%	0.216	C	C	.	.			trans	-73.8	147.4	163.6	60	0	0	0	0	110.6	V242 P243 D293 L317	V242-S245 WeakPolarHBondContact O-CB 3.35Å; V242-S245 PolarHBondContact O-N 2.69Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.47Å; P243-S245 VanDerWaalsContact C-N 3.31Å; S245-D293 VanDerWaalsContact OG-CA 3.24Å; S245-D293 WeakPolarHBondContact OG-CA 3.28Å; S245-D293 WeakPolarHBondContact OG-CB 3.44Å; S245-L317 WeakPolarHBondContact CA-O 3.42Å
246	Y	93.9	Very high	95.1	Very high	135 Å²	135	39.3 Å²	39.3	53%	0.529	21%	0.206	S	C	.	.	S	Bend	trans	-91.9	-33	174.8	163.5	-105.9	0	0	0	111.3	G292 L317	Y246-G292 PolarHBondContact O-N 3.49Å; Y246-L317 PolarHBondContact N-O 2.78Å
247	A	95.3	Very high	94.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158	177.9	0	0	0	0	0	109.9	N289 I290 L317	A247-N289 WeakPolarHBondContact CB-OD1 3.05Å; A247-I290 CarbonylContact C-O 3.56Å; A247-I290 VanDerWaalsContact CA-O 3.28Å; A247-I290 WeakPolarHBondContact CA-O 3.02Å; A247-L317 PolarHBondContact O-N 3.39Å
248	I	96.6	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.9	173.9	-53.6	176.5	0	0	0	108.1	I240 F250 I290 V295 Y314 A316	I240-I248 HydrophobicContact CG2-CD1 4.15Å; I248-F250 HydrophobicContact CB-CE2 3.87Å; I248-F250 HydrophobicContact CB-CZ 4Å; I248-F250 HydrophobicContact CG2-CD2 4.37Å; I248-F250 HydrophobicContact CG2-CE1 3.98Å; I248-F250 HydrophobicContact CG2-CE2 3.68Å; I248-F250 HydrophobicContact CG2-CZ 3.45Å; I248-F250 VanDerWaalsContact CG2-CZ 3.45Å; I248-I290 PolarHBondContact N-O 3.48Å; I248-I290 PolarHBondContact O-N 2.82Å; I248-V295 HydrophobicContact CD1-CG2 4.25Å; I248-Y314 HydrophobicContact CG2-CD2 4.12Å; I248-A316 HydrophobicContact CG1-CB 4.27Å
249	L	96.2	Very high	92.7	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.6	173.5	-63.2	-178.8	0	0	0	109.7	N289 Y314 Q315 L317	L249-N289 HydrophobicContact CD2-CB 3.7Å; L249-Y314 CarbonylContact O-C 3.5Å; L249-Y314 WeakPolarHBondContact O-CA 3.31Å; L249-Q315 PolarHBondContact N-O 2.94Å; L249-Q315 PolarHBondContact O-N 2.98Å; L249-L317 HydrophobicContact CD1-CD1 3.86Å; L249-L317 HydrophobicContact CD1-CD2 4.08Å; L249-L317 HydrophobicContact CD1-CG 4.19Å; L249-L317 HydrophobicContact CD2-CD1 4.25Å; L249-L317 HydrophobicContact CG-CD1 3.82Å; L249-L317 HydrophobicContact CG-CD2 4.49Å; L249-L317 HydrophobicContact CG-CG 4.11Å
250	F	96.6	Very high	91.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.8	178.5	-64.1	-82.8	0	0	0	110.1	I240 I248 L266 L287 V288 I290 V295 L312 L313	I240-F250 HydrophobicContact CD1-CE1 3.62Å; I240-F250 HydrophobicContact CD1-CZ 4.21Å; I248-F250 HydrophobicContact CB-CE2 3.87Å; I248-F250 HydrophobicContact CB-CZ 4Å; I248-F250 HydrophobicContact CG2-CD2 4.37Å; I248-F250 HydrophobicContact CG2-CE1 3.98Å; I248-F250 HydrophobicContact CG2-CE2 3.68Å; I248-F250 HydrophobicContact CG2-CZ 3.45Å; I248-F250 VanDerWaalsContact CG2-CZ 3.45Å; F250-L266 HydrophobicContact CB-CD1 4.41Å; F250-L266 HydrophobicContact CD1-CD2 4.29Å; F250-L266 HydrophobicContact CD2-CD1 4.16Å; F250-L266 HydrophobicContact CE1-CD2 4.18Å; F250-L266 HydrophobicContact CG-CD1 4.14Å; F250-L266 HydrophobicContact CZ-CD2 4.36Å; F250-L287 WeakPolarHBondContact O-CA 3.38Å; F250-V288 HydrophobicContact CB-CB 4.15Å; F250-V288 PolarHBondContact N-O 2.83Å; F250-V288 PolarHBondContact O-N 2.64Å; F250-I290 HydrophobicContact CD2-CD1 4.15Å; F250-I290 HydrophobicContact CD2-CG1 4.17Å; F250-I290 HydrophobicContact CE2-CB 4.18Å; F250-I290 HydrophobicContact CE2-CD1 3.79Å; F250-I290 HydrophobicContact CE2-CG1 3.97Å; F250-V295 HydrophobicContact CE1-CG1 4.5Å; F250-V295 HydrophobicContact CE2-CB 4.48Å; F250-V295 HydrophobicContact CE2-CG1 4.16Å; F250-V295 HydrophobicContact CE2-CG2 4.13Å; F250-V295 HydrophobicContact CZ-CB 3.9Å; F250-V295 HydrophobicContact CZ-CG1 3.68Å; F250-V295 HydrophobicContact CZ-CG2 3.98Å; F250-L312 HydrophobicContact CB-CD1 3.98Å; F250-L312 HydrophobicContact CD1-CD1 4.16Å; F250-L312 HydrophobicContact CD1-CD2 3.92Å; F250-L312 HydrophobicContact CD1-CG 4.19Å; F250-L312 HydrophobicContact CE1-CD2 4.44Å; F250-L313 CarbonylContact C-O 3.51Å; F250-L313 WeakPolarHBondContact CA-O 3.42Å
251	N	95.1	Very high	90.6	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.2	177.4	-172.3	15	0	0	0	109.7	T253 L287 L313	N251-T253 PolarHBondContact O-N 3.26Å; N251-L287 HydrophobicContact CB-CD2 3.51Å; N251-L313 HydrophobicContact CB-CB 4.34Å; N251-L313 PolarHBondContact N-O 2.98Å; N251-L313 PolarHBondContact O-N 3.27Å
252	F	94.7	Very high	90.3	Very high	21 Å²	21	39.9 Å²	39.9	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	102.4	171.4	-73.9	-92.1	0	0	0	108.7	F255 V264 F278 P284 F310 L312	F252-F255 AromaticContact CD1-CD2 3.71Å; F252-F255 HydrophobicContact CD1-CD2 3.71Å; F252-F255 HydrophobicContact CD1-CE2 4.33Å; F252-F255 HydrophobicContact CE1-CD2 4.08Å; F252-F255 HydrophobicContact CE1-CE2 4.26Å; F252-F255 HydrophobicContact CG-CD2 4.34Å; F252-V264 HydrophobicContact CE1-CG1 4.06Å; F252-V264 HydrophobicContact CZ-CG1 3.88Å; F252-F278 AromaticContact CE2-CD2 3.9Å; F252-F278 HydrophobicContact CE2-CD2 3.9Å; F252-F278 AromaticContact CE2-CE2 3.79Å; F252-F278 HydrophobicContact CE2-CE2 3.79Å; F252-F278 HydrophobicContact CZ-CD2 4.03Å; F252-F278 HydrophobicContact CZ-CE2 4.3Å; F252-P284 HydrophobicContact CB-CB 4.13Å; F252-P284 HydrophobicContact CB-CG 3.48Å; F252-P284 VanDerWaalsContact CB-CG 3.48Å; F252-P284 HydrophobicContact CD1-CG 4.23Å; F252-P284 HydrophobicContact CD2-CB 3.6Å; F252-P284 HydrophobicContact CD2-CG 3.56Å; F252-P284 HydrophobicContact CE2-CB 4.28Å; F252-P284 HydrophobicContact CE2-CG 4.32Å; F252-P284 HydrophobicContact CG-CB 4.06Å; F252-P284 HydrophobicContact CG-CG 3.5Å; F252-F310 HydrophobicContact CD1-CB 4.29Å; F252-F310 HydrophobicContact CE1-CB 4.43Å; F252-F310 HydrophobicContact CE1-CD2 4.21Å; F252-F310 HydrophobicContact CE1-CG 4.35Å; F252-L312 HydrophobicContact CD1-CB 4.34Å; F252-L312 HydrophobicContact CD1-CD1 3.91Å; F252-L312 HydrophobicContact CD2-CD1 3.64Å; F252-L312 HydrophobicContact CE1-CB 4.2Å; F252-L312 HydrophobicContact CE1-CD1 3.81Å; F252-L312 HydrophobicContact CE1-CG 4.4Å; F252-L312 HydrophobicContact CE2-CD1 3.53Å; F252-L312 HydrophobicContact CG-CD1 3.84Å; F252-L312 HydrophobicContact CZ-CD1 3.62Å; F252-L312 HydrophobicContact CZ-CD2 4.28Å; F252-L312 HydrophobicContact CZ-CG 4.41Å
253	T	91.4	Very high	90.1	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.258	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-27.9	-179.8	55.9	0	0	0	0	111.5	Y29 N251 A311 L313	Y29-T253 HydrophobicContact CD1-CG2 4.25Å; Y29-T253 WeakPolarHBondContact CD1-OG1 3.49Å; Y29-T253 HydrophobicContact CD2-CG2 4.02Å; Y29-T253 WeakPolarHBondContact CD2-OG1 3.43Å; Y29-T253 HydrophobicContact CE1-CG2 3.89Å; Y29-T253 HydrophobicContact CE2-CG2 3.69Å; Y29-T253 HydrophobicContact CG-CG2 4.32Å; N251-T253 PolarHBondContact O-N 3.26Å; T253-A311 PolarHBondContact N-O 2.69Å; T253-A311 PolarHBondContact OG1-O 2.9Å; T253-L313 HydrophobicContact CG2-CB 4.28Å
254	F	88.8	Confident	90.2	Very high	42 Å²	42	37.8 Å²	37.8	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.1	173.4	180	-101.4	0	0	0	109.4	T30 F226 D256 H308 G309 F310 A311	T30-F254 HydrophobicContact CG2-CD2 4.18Å; T30-F254 HydrophobicContact CG2-CE2 4.29Å; F226-F254 HydrophobicContact CE2-CD1 4.12Å; F226-F254 HydrophobicContact CE2-CE1 4.11Å; F254-D256 HydrophobicContact CE1-CB 4.12Å; F254-D256 HydrophobicContact CE2-CB 4.5Å; F254-D256 HydrophobicContact CZ-CB 3.79Å; F254-H308 HydrophobicContact CE1-CB 3.76Å; F254-H308 HydrophobicContact CZ-CB 3.51Å; F254-G309 WeakPolarHBondContact CE1-O 3.09Å; F254-F310 CarbonylContact O-C 3.6Å; F254-F310 VanDerWaalsContact O-CA 3.24Å; F254-F310 WeakPolarHBondContact O-CA 3.49Å; F254-F310 WeakPolarHBondContact O-CB 3.44Å; F254-A311 HydrophobicContact CB-CB 3.84Å; F254-A311 PolarHBondContact O-N 2.81Å
255	F	92.2	Very high	90.4	Very high	41 Å²	41	35.9 Å²	35.9	18%	0.18	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	103.6	178.4	-167.2	-89.5	0	0	0	110.9	F252 I257 V264 F278 P283 P284 F310	F252-F255 AromaticContact CD1-CD2 3.71Å; F252-F255 HydrophobicContact CD1-CD2 3.71Å; F252-F255 HydrophobicContact CD1-CE2 4.33Å; F252-F255 HydrophobicContact CE1-CD2 4.08Å; F252-F255 HydrophobicContact CE1-CE2 4.26Å; F252-F255 HydrophobicContact CG-CD2 4.34Å; F255-I257 HydrophobicContact CD1-CG1 4.28Å; F255-I257 HydrophobicContact CD2-CG1 4.4Å; F255-I257 HydrophobicContact CE1-CB 4.13Å; F255-I257 HydrophobicContact CE1-CG1 3.76Å; F255-I257 HydrophobicContact CE2-CG1 3.9Å; F255-I257 HydrophobicContact CZ-CB 4.26Å; F255-I257 HydrophobicContact CZ-CG1 3.55Å; F255-V264 HydrophobicContact CE2-CB 4.46Å; F255-V264 HydrophobicContact CE2-CG2 4.03Å; F255-F278 HydrophobicContact CE2-CB 4.04Å; F255-F278 HydrophobicContact CZ-CB 3.82Å; F255-P283 HydrophobicContact CD1-CB 3.94Å; F255-P283 HydrophobicContact CE1-CB 4.02Å; F255-P284 HydrophobicContact CB-CG 4.37Å; F255-P284 HydrophobicContact CD2-CG 3.93Å; F255-P284 HydrophobicContact CE2-CG 4.34Å; F255-P284 HydrophobicContact CG-CG 4.05Å; F255-F310 HydrophobicContact CD2-CB 4.07Å
256	D	91.1	Very high	90.6	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.23	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	93.3	176.1	177.8	39	0	0	0	109.7	F254 A307 H308 G309	F254-D256 HydrophobicContact CE1-CB 4.12Å; F254-D256 HydrophobicContact CE2-CB 4.5Å; F254-D256 HydrophobicContact CZ-CB 3.79Å; D256-A307 VanDerWaalsContact O-CB 3.27Å; D256-A307 WeakPolarHBondContact O-CB 3.43Å; D256-H308 HydrophobicContact CB-CB 4.2Å; D256-H308 WeakPolarHBondContact OD2-CB 3.35Å; D256-H308 IonicContact OD2-CD2 3.26Å; D256-H308 PolarHBondContact OD2-CD2 2.98Å; D256-H308 VanDerWaalsContact OD2-CD2 3.26Å; D256-H308 IonicContact OD2-CG 3.75Å; D256-H308 PolarHBondContact OD2-N 3.39Å; D256-H308 VanDerWaalsContact OD2-N 3.12Å; D256-G309 CarbonylContact C-O 3.45Å; D256-G309 PolarHBondContact N-O 3.05Å; D256-G309 WeakPolarHBondContact O-CA 3.35Å; D256-G309 PolarHBondContact O-N 3.03Å
257	I	89.8	Confident	90.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.			trans	-113.4	131.8	-179	-61.3	-57.7	0	0	0	109.1	Y230 F255 D259 D262 W280 F299 F310	Y230-I257 HydrophobicContact CE1-CD1 3.94Å; F255-I257 HydrophobicContact CD1-CG1 4.28Å; F255-I257 HydrophobicContact CD2-CG1 4.4Å; F255-I257 HydrophobicContact CE1-CB 4.13Å; F255-I257 HydrophobicContact CE1-CG1 3.76Å; F255-I257 HydrophobicContact CE2-CG1 3.9Å; F255-I257 HydrophobicContact CZ-CB 4.26Å; F255-I257 HydrophobicContact CZ-CG1 3.55Å; I257-D259 PolarHBondContact O-N 3.44Å; I257-D262 HydrophobicContact CG2-CB 3.36Å; I257-W280 WeakPolarHBondContact O-CB 3.32Å; I257-F299 HydrophobicContact CD1-CE2 3.96Å; I257-F310 HydrophobicContact CD1-CD1 4.36Å
258	S	80.4	Confident	90.8	Very high	51 Å²	51	32 Å²	32	36%	0.357	17%	0.169	S	C	.	.			trans	-71.8	-30.3	-165.5	-145.7	0	0	0	0	115.1	Y230	Y230-S258 WeakPolarHBondContact OH-CB 3.01Å; Y230-S258 PolarHBondContact OH-N 3.43Å
259	D	73.5	Confident	90.8	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.262	17%	0.173	S	C	.	.			trans	-148.8	176	-171	-154.6	-8.4	0	0	0	113.8	I257 T261 N305	I257-D259 PolarHBondContact O-N 3.44Å; D259-T261 VanDerWaalsContact C-N 3.34Å; D259-N305 PolarHBondContact OD2-ND2 2.99Å
260	Q	67.9	Low	90.7	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	19%	0.19	S	C	.	.	S	Bend	trans	-72	-23.6	172.8	-70.2	165.9	69.9	0	0	113.7	R281	Q260-R281 HydrophobicContact CG-CG 3.86Å
261	T	84.4	Confident	90.7	Very high	64 Å²	64	40.9 Å²	40.9	39%	0.393	21%	0.213	S	C	.	.	S	Bend	trans	-81.9	-28.8	179.7	50.4	0	0	0	0	111.9	D259 F300 D302	D259-T261 VanDerWaalsContact C-N 3.34Å; T261-F300 VanDerWaalsContact O-CD1 3.29Å; T261-F300 WeakPolarHBondContact O-CD1 3.43Å; T261-D302 VanDerWaalsContact OG1-CB 3.32Å; T261-D302 WeakPolarHBondContact OG1-CB 3.18Å
262	D	91.2	Very high	90.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-76.8	128.9	173.6	-66.3	-7	0	0	0	108.2	Y230 I257 F300 S301 D302	Y230-D262 VanDerWaalsContact CE2-OD2 3.29Å; Y230-D262 WeakPolarHBondContact CE2-OD2 3.42Å; Y230-D262 VanDerWaalsContact CZ-OD2 3.3Å; Y230-D262 PolarHBondContact OH-OD2 3.1Å; I257-D262 HydrophobicContact CG2-CB 3.36Å; D262-F300 WeakPolarHBondContact CA-O 3.36Å; D262-S301 VanDerWaalsContact OD1-CA 3.31Å; D262-S301 WeakPolarHBondContact OD1-CA 3.35Å; D262-D302 WeakPolarHBondContact OD1-CB 3.48Å; D262-D302 PolarHBondContact OD1-N 2.62Å
263	M	92.2	Very high	90.7	Very high	39 Å²	39	53 Å²	53	19%	0.192	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.6	-170.2	54.8	-170.8	-77.4	0	0	112	E265 R277 F278 F299 F300	M263-E265 HydrophobicContact CE-CG 3.56Å; M263-E265 WeakPolarHBondContact CE-OE1 3.49Å; M263-R277 HydrophobicContact CE-CG 4.27Å; M263-R277 VanDerWaalsContact CE-NE 3.29Å; M263-F278 WeakPolarHBondContact CA-O 3.23Å; M263-F299 WeakPolarHBondContact O-CA 3.27Å; M263-F300 HydrophobicContact CG-CB 3.91Å; M263-F300 HydrophobicContact CG-CD1 4.25Å; M263-F300 HydrophobicContact CG-CG 4.49Å; M263-F300 PolarHBondContact N-O 2.68Å; M263-F300 PolarHBondContact O-N 3Å
264	V	96.2	Very high	91	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	170.8	-178.3	0	0	0	0	107.7	F252 F255 R277 F278 L297 Y298 F299 F310	F252-V264 HydrophobicContact CE1-CG1 4.06Å; F252-V264 HydrophobicContact CZ-CG1 3.88Å; F255-V264 HydrophobicContact CE2-CB 4.46Å; F255-V264 HydrophobicContact CE2-CG2 4.03Å; V264-R277 CarbonylContact O-C 3.54Å; V264-R277 WeakPolarHBondContact O-CA 3.05Å; V264-F278 HydrophobicContact CB-CB 4.47Å; V264-F278 PolarHBondContact N-O 2.78Å; V264-F278 PolarHBondContact O-N 2.91Å; V264-L297 HydrophobicContact CG1-CD1 3.56Å; V264-Y298 CarbonylContact C-O 3.5Å; V264-Y298 WeakPolarHBondContact CA-O 3.4Å; V264-F299 HydrophobicContact CG2-CD2 3.8Å; V264-F299 HydrophobicContact CG2-CE2 4.37Å; V264-F310 HydrophobicContact CG2-CD1 3.68Å; V264-F310 HydrophobicContact CG2-CE1 3.76Å; V264-F310 HydrophobicContact CG2-CG 4.49Å
265	E	96.8	Very high	91.3	Very high	19 Å²	19	55.9 Å²	55.9	9%	0.089	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.6	177	-59.5	-171.3	130.7	0	0	111.4	M263 L267 V274 A276 R277 L297 Y298	M263-E265 HydrophobicContact CE-CG 3.56Å; M263-E265 WeakPolarHBondContact CE-OE1 3.49Å; E265-L267 HydrophobicContact CB-CD1 3.78Å; E265-V274 HydrophobicContact CB-CG1 4.38Å; E265-V274 HydrophobicContact CG-CG1 4.4Å; E265-A276 WeakPolarHBondContact CA-O 3.01Å; E265-R277 HydrophobicContact CG-CB 4.33Å; E265-R277 HydrophobicContact CG-CG 4.17Å; E265-R277 IonicContact OE1-CZ 3.08Å; E265-R277 IonicContact OE1-NE 2.71Å; E265-R277 PolarHBondContact OE1-NE 3.1Å; E265-R277 IonicContact OE1-NH2 2.64Å; E265-R277 PolarHBondContact OE1-NH2 3.03Å; E265-L297 CarbonylContact O-C 3.2Å; E265-L297 WeakPolarHBondContact O-CA 3.46Å; E265-Y298 PolarHBondContact N-O 3.48Å; E265-Y298 PolarHBondContact O-N 3.47Å
266	L	98	Very high	91.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.8	166.4	-67.8	168.1	0	0	0	107.7	F250 V275 A276 F278 V288 I290 V295 L297 L312	F250-L266 HydrophobicContact CB-CD1 4.41Å; F250-L266 HydrophobicContact CD1-CD2 4.29Å; F250-L266 HydrophobicContact CD2-CD1 4.16Å; F250-L266 HydrophobicContact CE1-CD2 4.18Å; F250-L266 HydrophobicContact CG-CD1 4.14Å; F250-L266 HydrophobicContact CZ-CD2 4.36Å; L266-V275 WeakPolarHBondContact O-CB 3.43Å; L266-V275 PolarHBondContact O-N 3.25Å; L266-A276 HydrophobicContact CB-CB 4.38Å; L266-A276 HydrophobicContact CD1-CB 4.46Å; L266-A276 PolarHBondContact N-O 2.03Å; L266-A276 PolarHBondContact O-N 3.02Å; L266-F278 HydrophobicContact CD1-CE2 4.24Å; L266-V288 HydrophobicContact CD1-CB 4.39Å; L266-V288 HydrophobicContact CD1-CG1 4.07Å; L266-I290 HydrophobicContact CB-CD1 3.75Å; L266-I290 HydrophobicContact CD1-CD1 4.03Å; L266-I290 HydrophobicContact CG-CD1 4.39Å; L266-V295 HydrophobicContact CB-CG1 4.46Å; L266-V295 HydrophobicContact CD2-CG1 3.97Å; L266-L297 HydrophobicContact CD2-CB 4.31Å; L266-L297 HydrophobicContact CD2-CD1 3.68Å; L266-L297 HydrophobicContact CG-CD1 4.41Å; L266-L312 HydrophobicContact CD2-CD2 4.45Å
267	L	97.8	Very high	91.7	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.5	-179.9	-58.4	85.1	0	0	0	110.2	E265 G269 E273 V274 V295 I296	E265-L267 HydrophobicContact CB-CD1 3.78Å; L267-G269 PolarHBondContact O-N 3.35Å; L267-E273 CarbonylContact C-O 3.59Å; L267-E273 WeakPolarHBondContact CA-O 3.49Å; L267-V274 HydrophobicContact CD2-CG2 4.22Å; L267-V274 HydrophobicContact CG-CG2 4.21Å; L267-V295 WeakPolarHBondContact O-CA 3.34Å; L267-V295 WeakPolarHBondContact O-CG1 3.42Å; L267-I296 HydrophobicContact CB-CB 4.34Å; L267-I296 PolarHBondContact N-O 3.36Å; L267-I296 PolarHBondContact O-N 3.35Å
268	D	96.4	Very high	91.9	Very high	41 Å²	41	60.5 Å²	60.5	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.3	165.9	179.8	-50.7	0	0	0	108.7	Y270 T271 R272 E273 V275	D268-Y270 VanDerWaalsContact C-N 3.26Å; D268-Y270 PolarHBondContact O-N 2.76Å; D268-Y270 WeakPolarHBondContact OD1-CA 3.19Å; D268-Y270 WeakPolarHBondContact OD1-CB 3.04Å; D268-Y270 PolarHBondContact OD1-N 3.05Å; D268-T271 WeakPolarHBondContact CB-OG1 3.33Å; D268-T271 PolarHBondContact OD1-N 3.44Å; D268-T271 VanDerWaalsContact OD1-N 3.07Å; D268-R272 WeakPolarHBondContact O-CA 3Å; D268-R272 PolarHBondContact O-N 2.01Å; D268-E273 PolarHBondContact N-O 3.07Å; D268-V275 HydrophobicContact CB-CG2 4.19Å
269	G	95	Very high	92.5	Very high	8 Å²	8	59.6 Å²	59.6	8%	0.082	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.7	-174.1	0	0	0	0	0	114.5	L267 F294	L267-G269 PolarHBondContact O-N 3.35Å; G269-F294 VanDerWaalsContact C-CD1 3.44Å; G269-F294 VanDerWaalsContact C-CE1 3.44Å; G269-F294 VanDerWaalsContact CA-CD1 3.45Å; G269-F294 PolarHBondContact N-O 3.01Å; G269-F294 WeakPolarHBondContact O-CE1 3.39Å
270	Y	95.2	Very high	93.2	Very high	141 Å²	141	64.3 Å²	64.3	55%	0.553	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-48.7	179.6	-62.5	-74.8	0	0	0	112.2	D268 D293 F294	D268-Y270 VanDerWaalsContact C-N 3.26Å; D268-Y270 PolarHBondContact O-N 2.76Å; D268-Y270 WeakPolarHBondContact OD1-CA 3.19Å; D268-Y270 WeakPolarHBondContact OD1-CB 3.04Å; D268-Y270 PolarHBondContact OD1-N 3.05Å; Y270-D293 PolarHBondContact OH-OD1 2.87Å; Y270-F294 HydrophobicContact CD1-CD1 4.33Å; Y270-F294 HydrophobicContact CD2-CB 4.22Å; Y270-F294 HydrophobicContact CD2-CD1 4.37Å; Y270-F294 HydrophobicContact CE1-CD1 4.17Å; Y270-F294 HydrophobicContact CE2-CB 3.6Å; Y270-F294 HydrophobicContact CE2-CD1 4.22Å; Y270-F294 HydrophobicContact CE2-CG 4.45Å; Y270-F294 HydrophobicContact CG-CD1 4.42Å
271	T	95.6	Very high	94.1	Very high	79 Å²	79	67.9 Å²	67.9	49%	0.485	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-20.9	-176.9	67.6	0	0	0	0	112.9	D268 E273	D268-T271 WeakPolarHBondContact CB-OG1 3.33Å; D268-T271 PolarHBondContact OD1-N 3.44Å; D268-T271 VanDerWaalsContact OD1-N 3.07Å; T271-E273 PolarHBondContact O-N 3.47Å; T271-E273 WeakPolarHBondContact OG1-CB 3.5Å; T271-E273 PolarHBondContact OG1-N 3.17Å
272	R	95.1	Very high	94.5	Very high	196 Å²	196	67.2 Å²	67.2	74%	0.74	31%	0.31	S	S	*	.			trans	59.1	22	-170.9	-52.1	176.9	-178.3	173.1	-0.5	113.2	D268	D268-R272 WeakPolarHBondContact O-CA 3Å; D268-R272 PolarHBondContact O-N 2.01Å
273	E	96.1	Very high	94.5	Very high	138 Å²	138	69.9 Å²	69.9	65%	0.645	33%	0.327	S	S	*	.			trans	-77.7	141.1	172.5	-68.4	-175.3	159.7	0	0	110.1	L267 D268 T271 V275	L267-E273 CarbonylContact C-O 3.59Å; L267-E273 WeakPolarHBondContact CA-O 3.49Å; D268-E273 PolarHBondContact N-O 3.07Å; T271-E273 PolarHBondContact O-N 3.47Å; T271-E273 WeakPolarHBondContact OG1-CB 3.5Å; T271-E273 PolarHBondContact OG1-N 3.17Å; E273-V275 PolarHBondContact O-N 3.45Å
274	V	96.9	Very high	94.5	Very high	68 Å²	68	69.3 Å²	69.3	41%	0.412	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.5	176.5	-179.5	0	0	0	0	108.6	E265 L267 R277	E265-V274 HydrophobicContact CB-CG1 4.38Å; E265-V274 HydrophobicContact CG-CG1 4.4Å; L267-V274 HydrophobicContact CD2-CG2 4.22Å; L267-V274 HydrophobicContact CG-CG2 4.21Å; V274-R277 HydrophobicContact CG1-CB 4.4Å
275	V	95.9	Very high	94.1	Very high	75 Å²	75	80.5 Å²	80.5	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-40.3	178.7	-178.2	0	0	0	0	110.7	L266 D268 E273 I290	L266-V275 WeakPolarHBondContact O-CB 3.43Å; L266-V275 PolarHBondContact O-N 3.25Å; D268-V275 HydrophobicContact CB-CG2 4.19Å; E273-V275 PolarHBondContact O-N 3.45Å; V275-I290 HydrophobicContact CB-CD1 4.12Å; V275-I290 HydrophobicContact CG1-CD1 3.95Å; V275-I290 HydrophobicContact CG1-CG1 3.99Å; V275-I290 HydrophobicContact CG1-CG2 4.47Å
276	A	95.4	Very high	93.8	Very high	17 Å²	17	81.8 Å²	81.8	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148	177.2	0	0	0	0	0	111	E265 L266 F278 V288	E265-A276 WeakPolarHBondContact CA-O 3.01Å; L266-A276 HydrophobicContact CB-CB 4.38Å; L266-A276 HydrophobicContact CD1-CB 4.46Å; L266-A276 PolarHBondContact N-O 2.03Å; L266-A276 PolarHBondContact O-N 3.02Å; A276-F278 HydrophobicContact CB-CE2 3.73Å; A276-F278 HydrophobicContact CB-CZ 3.73Å; A276-V288 HydrophobicContact CB-CG1 4.33Å
277	R	95.4	Very high	93.5	Very high	140 Å²	140	87.4 Å²	87.4	53%	0.528	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.5	175.5	178.6	-179.8	-67.6	176.5	-4.4	108.9	M263 V264 E265 V274	M263-R277 HydrophobicContact CE-CG 4.27Å; M263-R277 VanDerWaalsContact CE-NE 3.29Å; V264-R277 CarbonylContact O-C 3.54Å; V264-R277 WeakPolarHBondContact O-CA 3.05Å; E265-R277 HydrophobicContact CG-CB 4.33Å; E265-R277 HydrophobicContact CG-CG 4.17Å; E265-R277 IonicContact OE1-CZ 3.08Å; E265-R277 IonicContact OE1-NE 2.71Å; E265-R277 PolarHBondContact OE1-NE 3.1Å; E265-R277 IonicContact OE1-NH2 2.64Å; E265-R277 PolarHBondContact OE1-NH2 3.03Å; V274-R277 HydrophobicContact CG1-CB 4.4Å
278	F	94.9	Very high	93.3	Very high	25 Å²	25	87.4 Å²	87.4	11%	0.11	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	179	-54.7	-70.8	0	0	0	110.5	F252 F255 M263 V264 L266 A276 P284 V288	F252-F278 AromaticContact CE2-CD2 3.9Å; F252-F278 HydrophobicContact CE2-CD2 3.9Å; F252-F278 AromaticContact CE2-CE2 3.79Å; F252-F278 HydrophobicContact CE2-CE2 3.79Å; F252-F278 HydrophobicContact CZ-CD2 4.03Å; F252-F278 HydrophobicContact CZ-CE2 4.3Å; F255-F278 HydrophobicContact CE2-CB 4.04Å; F255-F278 HydrophobicContact CZ-CB 3.82Å; M263-F278 WeakPolarHBondContact CA-O 3.23Å; V264-F278 HydrophobicContact CB-CB 4.47Å; V264-F278 PolarHBondContact N-O 2.78Å; V264-F278 PolarHBondContact O-N 2.91Å; L266-F278 HydrophobicContact CD1-CE2 4.24Å; A276-F278 HydrophobicContact CB-CE2 3.73Å; A276-F278 HydrophobicContact CB-CZ 3.73Å; F278-P284 HydrophobicContact CD1-CB 3.92Å; F278-P284 HydrophobicContact CD1-CG 4.45Å; F278-P284 HydrophobicContact CE1-CB 3.88Å; F278-P284 HydrophobicContact CG-CB 4.38Å; F278-P284 HydrophobicContact CZ-CB 4.31Å; F278-V288 HydrophobicContact CE2-CG2 4.14Å; F278-V288 HydrophobicContact CZ-CG2 3.55Å
279	D	91.7	Very high	93.2	Very high	31 Å²	31	89.9 Å²	89.9	17%	0.166	43%	0.43	C	S	.	.			trans	-143.4	-177.8	175	63.7	28.1	0	0	0	109.5	R281 S282	D279-R281 VanDerWaalsContact C-N 3.26Å; D279-R281 PolarHBondContact O-N 2.75Å; D279-R281 WeakPolarHBondContact OD1-CA 3.43Å; D279-R281 WeakPolarHBondContact OD1-CB 3.12Å; D279-R281 PolarHBondContact OD1-N 2.03Å; D279-S282 CarbonylContact O-C 3.59Å; D279-S282 PolarHBondContact O-N 2.96Å; D279-S282 WeakPolarHBondContact OD1-CB 3.42Å; D279-S282 PolarHBondContact OD1-N 2.04Å; D279-S282 PolarHBondContact OD1-OG 3.45Å
280	W	88	Confident	93.2	Very high	148 Å²	148	89.9 Å²	89.9	56%	0.561	43%	0.428	S	S	*	.	S	Bend	trans	-57.3	-33.7	177.5	174.1	-105.2	0	0	0	114.3	I257	I257-W280 WeakPolarHBondContact O-CB 3.32Å
281	R	88.1	Confident	93.2	Very high	172 Å²	172	87.6 Å²	87.6	65%	0.649	43%	0.429	S	S	*	.	S	Bend	trans	-82.3	-27.2	-178.5	-71.2	-172	177.9	-117.4	3.9	112.6	Q260 D279 P283	Q260-R281 HydrophobicContact CG-CG 3.86Å; D279-R281 VanDerWaalsContact C-N 3.26Å; D279-R281 PolarHBondContact O-N 2.75Å; D279-R281 WeakPolarHBondContact OD1-CA 3.43Å; D279-R281 WeakPolarHBondContact OD1-CB 3.12Å; D279-R281 PolarHBondContact OD1-N 2.03Å; R281-P283 WeakPolarHBondContact O-CD 3.28Å
282	S	91.6	Very high	93.1	Very high	50 Å²	50	85.1 Å²	85.1	35%	0.35	42%	0.419	S	S	.	.	S	Bend	trans	-124.7	61.6	-177.1	58	0	0	0	0	110.3	D279	D279-S282 CarbonylContact O-C 3.59Å; D279-S282 PolarHBondContact O-N 2.96Å; D279-S282 WeakPolarHBondContact OD1-CB 3.42Å; D279-S282 PolarHBondContact OD1-N 2.04Å; D279-S282 PolarHBondContact OD1-OG 3.45Å
283	P	92.4	Very high	93.1	Very high	56 Å²	56	77.5 Å²	77.5	36%	0.364	39%	0.393	S	S	.	.			trans	-65.8	154.4	177	29.9	-35.9	0	0	0	110.4	F255 R281 R285	F255-P283 HydrophobicContact CD1-CB 3.94Å; F255-P283 HydrophobicContact CE1-CB 4.02Å; R281-P283 WeakPolarHBondContact O-CD 3.28Å; P283-R285 PolarHBondContact O-N 3.16Å
284	P	92.9	Very high	93.2	Very high	27 Å²	27	72.7 Å²	72.7	18%	0.175	37%	0.37	C	S	.	.			trans	-60.9	123	176.3	24.4	-31.7	0	0	0	110.3	F252 F255 F278	F252-P284 HydrophobicContact CB-CB 4.13Å; F252-P284 HydrophobicContact CB-CG 3.48Å; F252-P284 VanDerWaalsContact CB-CG 3.48Å; F252-P284 HydrophobicContact CD1-CG 4.23Å; F252-P284 HydrophobicContact CD2-CB 3.6Å; F252-P284 HydrophobicContact CD2-CG 3.56Å; F252-P284 HydrophobicContact CE2-CB 4.28Å; F252-P284 HydrophobicContact CE2-CG 4.32Å; F252-P284 HydrophobicContact CG-CB 4.06Å; F252-P284 HydrophobicContact CG-CG 3.5Å; F255-P284 HydrophobicContact CB-CG 4.37Å; F255-P284 HydrophobicContact CD2-CG 3.93Å; F255-P284 HydrophobicContact CE2-CG 4.34Å; F255-P284 HydrophobicContact CG-CG 4.05Å; F278-P284 HydrophobicContact CD1-CB 3.92Å; F278-P284 HydrophobicContact CD1-CG 4.45Å; F278-P284 HydrophobicContact CE1-CB 3.88Å; F278-P284 HydrophobicContact CG-CB 4.38Å; F278-P284 HydrophobicContact CZ-CB 4.31Å
285	R	87.6	Confident	93.3	Very high	236 Å²	236	69.5 Å²	69.5	89%	0.891	35%	0.351	S	S	*	.			trans	-96.6	-3.3	-176.3	-62.2	-172.6	-179.7	-176.3	-0.6	114.3	P283	P283-R285 PolarHBondContact O-N 3.16Å
286	G	88.8	Confident	93.4	Very high	45 Å²	45	67.2 Å²	67.2	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	178.4	-170.8	-176.3	0	0	0	0	0	111.1
287	L	92.4	Very high	93.5	Very high	118 Å²	118	66.4 Å²	66.4	62%	0.618	33%	0.329	S	S	*	.			trans	-64.5	134.7	179.9	-62	172	0	0	0	111	F250 N251	F250-L287 WeakPolarHBondContact O-CA 3.38Å; N251-L287 HydrophobicContact CB-CD2 3.51Å
288	V	94.3	Very high	93.6	Very high	24 Å²	24	63.4 Å²	63.4	15%	0.145	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	171.4	-173.1	0	0	0	0	107.7	F250 L266 A276 F278 I290	F250-V288 HydrophobicContact CB-CB 4.15Å; F250-V288 PolarHBondContact N-O 2.83Å; F250-V288 PolarHBondContact O-N 2.64Å; L266-V288 HydrophobicContact CD1-CB 4.39Å; L266-V288 HydrophobicContact CD1-CG1 4.07Å; A276-V288 HydrophobicContact CB-CG1 4.33Å; F278-V288 HydrophobicContact CE2-CG2 4.14Å; F278-V288 HydrophobicContact CZ-CG2 3.55Å; V288-I290 HydrophobicContact CG1-CG1 4.21Å
289	N	94.7	Very high	93.7	Very high	93 Å²	93	62.2 Å²	62.2	50%	0.497	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.8	178.8	-178.7	13.1	0	0	0	109.4	A247 L249	A247-N289 WeakPolarHBondContact CB-OD1 3.05Å; L249-N289 HydrophobicContact CD2-CB 3.7Å
290	I	95.2	Very high	93.9	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.046	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120	177.1	-54.3	-175.3	0	0	0	108.4	A247 I248 F250 L266 V275 V288 V295	A247-I290 CarbonylContact C-O 3.56Å; A247-I290 VanDerWaalsContact CA-O 3.28Å; A247-I290 WeakPolarHBondContact CA-O 3.02Å; I248-I290 PolarHBondContact N-O 3.48Å; I248-I290 PolarHBondContact O-N 2.82Å; F250-I290 HydrophobicContact CD2-CD1 4.15Å; F250-I290 HydrophobicContact CD2-CG1 4.17Å; F250-I290 HydrophobicContact CE2-CB 4.18Å; F250-I290 HydrophobicContact CE2-CD1 3.79Å; F250-I290 HydrophobicContact CE2-CG1 3.97Å; L266-I290 HydrophobicContact CB-CD1 3.75Å; L266-I290 HydrophobicContact CD1-CD1 4.03Å; L266-I290 HydrophobicContact CG-CD1 4.39Å; V275-I290 HydrophobicContact CB-CD1 4.12Å; V275-I290 HydrophobicContact CG1-CD1 3.95Å; V275-I290 HydrophobicContact CG1-CG1 3.99Å; V275-I290 HydrophobicContact CG1-CG2 4.47Å; V288-I290 HydrophobicContact CG1-CG1 4.21Å; I290-V295 HydrophobicContact CB-CG2 4.21Å; I290-V295 HydrophobicContact CD1-CG1 4.12Å; I290-V295 HydrophobicContact CD1-CG2 4.28Å; I290-V295 HydrophobicContact CG2-CG2 3.91Å
291	T	94.3	Very high	94.1	Very high	92 Å²	92	57.4 Å²	57.4	56%	0.564	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	129	174.5	53.7	0	0	0	0	109.9
292	G	93.1	Very high	94.1	Very high	27 Å²	27	50.2 Å²	50.2	28%	0.278	27%	0.269	S	S	.	.	S	Bend	trans	131.3	173.9	-173.4	0	0	0	0	0	111.6	Y246	Y246-G292 PolarHBondContact O-N 3.49Å
293	D	96.2	Very high	93.6	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	29%	0.291	C	S	.	.	S	Bend	trans	-117.2	1.5	-178.4	64.7	-22.3	0	0	0	113.6	Q241 V242 S245 Y270	Q241-D293 CarbonylContact C-O 3.56Å; Q241-D293 WeakPolarHBondContact CA-O 3.05Å; V242-D293 PolarHBondContact N-O 2.93Å; V242-D293 WeakPolarHBondContact O-CB 3.48Å; S245-D293 VanDerWaalsContact OG-CA 3.24Å; S245-D293 WeakPolarHBondContact OG-CA 3.28Å; S245-D293 WeakPolarHBondContact OG-CB 3.44Å; Y270-D293 PolarHBondContact OH-OD1 2.87Å
294	F	97.7	Very high	92.8	Very high	36 Å²	36	60.3 Å²	60.3	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	115.8	-180	-175.2	-153.3	0	0	0	112	T239 I240 Q241 G269 Y270 I296	T239-F294 HydrophobicContact CG2-CE2 4.31Å; I240-F294 WeakPolarHBondContact O-CA 3.41Å; Q241-F294 HydrophobicContact CB-CD2 3.86Å; Q241-F294 HydrophobicContact CB-CE2 4.42Å; Q241-F294 HydrophobicContact CB-CG 4.45Å; Q241-F294 HydrophobicContact CG-CB 4.32Å; Q241-F294 HydrophobicContact CG-CD2 4.2Å; Q241-F294 HydrophobicContact CG-CG 4.3Å; G269-F294 VanDerWaalsContact C-CD1 3.44Å; G269-F294 VanDerWaalsContact C-CE1 3.44Å; G269-F294 VanDerWaalsContact CA-CD1 3.45Å; G269-F294 PolarHBondContact N-O 3.01Å; G269-F294 WeakPolarHBondContact O-CE1 3.39Å; Y270-F294 HydrophobicContact CD1-CD1 4.33Å; Y270-F294 HydrophobicContact CD2-CB 4.22Å; Y270-F294 HydrophobicContact CD2-CD1 4.37Å; Y270-F294 HydrophobicContact CE1-CD1 4.17Å; Y270-F294 HydrophobicContact CE2-CB 3.6Å; Y270-F294 HydrophobicContact CE2-CD1 4.22Å; Y270-F294 HydrophobicContact CE2-CG 4.45Å; Y270-F294 HydrophobicContact CG-CD1 4.42Å; F294-I296 HydrophobicContact CE2-CG1 4.03Å; F294-I296 HydrophobicContact CZ-CD1 4.19Å; F294-I296 HydrophobicContact CZ-CG1 4.07Å
295	V	98.3	Very high	91.7	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.7	178.5	176.6	0	0	0	0	109.6	I240 I248 F250 L266 L267 I290	I240-V295 PolarHBondContact N-O 3.27Å; I240-V295 PolarHBondContact O-N 3.16Å; I248-V295 HydrophobicContact CD1-CG2 4.25Å; F250-V295 HydrophobicContact CE1-CG1 4.5Å; F250-V295 HydrophobicContact CE2-CB 4.48Å; F250-V295 HydrophobicContact CE2-CG1 4.16Å; F250-V295 HydrophobicContact CE2-CG2 4.13Å; F250-V295 HydrophobicContact CZ-CB 3.9Å; F250-V295 HydrophobicContact CZ-CG1 3.68Å; F250-V295 HydrophobicContact CZ-CG2 3.98Å; L266-V295 HydrophobicContact CB-CG1 4.46Å; L266-V295 HydrophobicContact CD2-CG1 3.97Å; L267-V295 WeakPolarHBondContact O-CA 3.34Å; L267-V295 WeakPolarHBondContact O-CG1 3.42Å; I290-V295 HydrophobicContact CB-CG2 4.21Å; I290-V295 HydrophobicContact CD1-CG1 4.12Å; I290-V295 HydrophobicContact CD1-CG2 4.28Å; I290-V295 HydrophobicContact CG2-CG2 3.91Å
296	I	98.4	Very high	91.4	Very high	27 Å²	27	55.4 Å²	55.4	14%	0.138	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.2	171.6	-59.8	171.4	0	0	0	108.1	W238 T239 L267 F294	W238-I296 WeakPolarHBondContact O-CA 3.03Å; T239-I296 HydrophobicContact CG2-CG1 4.48Å; L267-I296 HydrophobicContact CB-CB 4.34Å; L267-I296 PolarHBondContact N-O 3.36Å; L267-I296 PolarHBondContact O-N 3.35Å; F294-I296 HydrophobicContact CE2-CG1 4.03Å; F294-I296 HydrophobicContact CZ-CD1 4.19Å; F294-I296 HydrophobicContact CZ-CG1 4.07Å
297	L	98.4	Very high	91.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.5	167.4	176.8	69.2	0	0	0	108.3	I221 Y237 W238 V264 E265 L266 F310 L312	I221-L297 HydrophobicContact CB-CD2 4.23Å; I221-L297 HydrophobicContact CD1-CD2 4.25Å; I221-L297 HydrophobicContact CG2-CD2 3.74Å; Y237-L297 CarbonylContact C-O 3.6Å; Y237-L297 WeakPolarHBondContact CA-O 3.41Å; W238-L297 HydrophobicContact CB-CB 4.37Å; W238-L297 HydrophobicContact CD2-CD2 4.18Å; W238-L297 HydrophobicContact CE3-CB 4.14Å; W238-L297 HydrophobicContact CE3-CD2 3.61Å; W238-L297 HydrophobicContact CE3-CG 3.77Å; W238-L297 HydrophobicContact CZ3-CD2 4.06Å; W238-L297 HydrophobicContact CZ3-CG 4.19Å; W238-L297 PolarHBondContact N-O 3.43Å; W238-L297 PolarHBondContact O-N 3.45Å; V264-L297 HydrophobicContact CG1-CD1 3.56Å; E265-L297 CarbonylContact O-C 3.2Å; E265-L297 WeakPolarHBondContact O-CA 3.46Å; L266-L297 HydrophobicContact CD2-CB 4.31Å; L266-L297 HydrophobicContact CD2-CD1 3.68Å; L266-L297 HydrophobicContact CG-CD1 4.41Å; L297-F310 HydrophobicContact CD2-CE2 3.96Å; L297-F310 HydrophobicContact CD2-CZ 4.07Å; L297-L312 HydrophobicContact CD1-CD2 3.78Å; L297-L312 HydrophobicContact CD2-CD2 3.69Å; L297-L312 HydrophobicContact CG-CD2 4.28Å
298	Y	97.8	Very high	91.2	Very high	77 Å²	77	51.2 Å²	51.2	30%	0.302	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	178.6	-160.1	-94.8	0	0	0	110.1	V235 V264 E265 F300	V235-Y298 HydrophobicContact CG1-CE1 4.11Å; V235-Y298 HydrophobicContact CG1-CE2 4.25Å; V235-Y298 WeakPolarHBondContact CG1-OH 3.06Å; V264-Y298 CarbonylContact C-O 3.5Å; V264-Y298 WeakPolarHBondContact CA-O 3.4Å; E265-Y298 PolarHBondContact N-O 3.48Å; E265-Y298 PolarHBondContact O-N 3.47Å; Y298-F300 HydrophobicContact CE1-CB 4.44Å
299	F	96.7	Very high	91.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.3	174.4	175.8	-110.9	0	0	0	110.4	P224 Y230 R234 V235 C236 W238 I257 M263 V264 F310	P224-F299 HydrophobicContact CG-CD1 3.55Å; P224-F299 HydrophobicContact CG-CE1 3.53Å; Y230-F299 HydrophobicContact CD1-CZ 4.07Å; Y230-F299 HydrophobicContact CD2-CE1 4.27Å; Y230-F299 AromaticContact CD2-CZ 3.88Å; Y230-F299 HydrophobicContact CD2-CZ 3.88Å; Y230-F299 HydrophobicContact CE1-CZ 4.27Å; Y230-F299 HydrophobicContact CE2-CZ 4.1Å; Y230-F299 HydrophobicContact CG-CE1 4.2Å; Y230-F299 AromaticContact CG-CZ 3.87Å; Y230-F299 HydrophobicContact CG-CZ 3.87Å; R234-F299 HydrophobicContact CB-CE1 4.31Å; V235-F299 WeakPolarHBondContact CA-O 3.34Å; C236-F299 PolarHBondContact N-O 3.39Å; C236-F299 PolarHBondContact O-N 3.18Å; W238-F299 HydrophobicContact CH2-CB 3.95Å; W238-F299 HydrophobicContact CZ3-CB 3.71Å; I257-F299 HydrophobicContact CD1-CE2 3.96Å; M263-F299 WeakPolarHBondContact O-CA 3.27Å; V264-F299 HydrophobicContact CG2-CD2 3.8Å; V264-F299 HydrophobicContact CG2-CE2 4.37Å; F299-F310 HydrophobicContact CB-CE1 4.13Å; F299-F310 HydrophobicContact CB-CZ 4.48Å; F299-F310 HydrophobicContact CD2-CD1 4.39Å; F299-F310 AromaticContact CD2-CE1 3.77Å; F299-F310 HydrophobicContact CD2-CE1 3.77Å; F299-F310 HydrophobicContact CE2-CE1 4.36Å; F299-F310 AromaticContact CG-CE1 3.96Å; F299-F310 HydrophobicContact CG-CE1 3.96Å
300	F	94.4	Very high	91.2	Very high	78 Å²	78	45.7 Å²	45.7	34%	0.342	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.8	175.2	174.5	-90.1	0	0	0	109.6	R234 V235 T261 D262 M263 Y298	R234-F300 WeakPolarHBondContact O-CA 3.41Å; V235-F300 HydrophobicContact CG2-CD2 3.96Å; V235-F300 HydrophobicContact CG2-CE2 4.35Å; T261-F300 VanDerWaalsContact O-CD1 3.29Å; T261-F300 WeakPolarHBondContact O-CD1 3.43Å; D262-F300 WeakPolarHBondContact CA-O 3.36Å; M263-F300 HydrophobicContact CG-CB 3.91Å; M263-F300 HydrophobicContact CG-CD1 4.25Å; M263-F300 HydrophobicContact CG-CG 4.49Å; M263-F300 PolarHBondContact N-O 2.68Å; M263-F300 PolarHBondContact O-N 3Å; Y298-F300 HydrophobicContact CE1-CB 4.44Å
301	S	93.3	Very high	91.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.			trans	-120.5	139.5	170.1	169.1	0	0	0	0	111	Y230 A231 S233 R234 D262	Y230-S301 WeakPolarHBondContact CE2-OG 3.41Å; A231-S301 PolarHBondContact O-OG 3.19Å; S233-S301 VanDerWaalsContact CA-O 3.29Å; S233-S301 WeakPolarHBondContact CA-O 3.3Å; S233-S301 PolarHBondContact N-O 2.98Å; R234-S301 PolarHBondContact O-N 3.17Å; D262-S301 VanDerWaalsContact OD1-CA 3.31Å; D262-S301 WeakPolarHBondContact OD1-CA 3.35Å
302	D	86.9	Confident	91.4	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.112	20%	0.196	C	C	.	.			trans	-71.7	-169.4	-179.8	93.2	-26.3	0	0	0	113.5	A232 S233 T261 D262 T304 N305	A232-D302 CarbonylContact C-O 3.57Å; A232-D302 WeakPolarHBondContact CA-O 3.14Å; A232-D302 WeakPolarHBondContact CB-O 3.42Å; S233-D302 PolarHBondContact N-O 3.22Å; T261-D302 VanDerWaalsContact OG1-CB 3.32Å; T261-D302 WeakPolarHBondContact OG1-CB 3.18Å; D262-D302 WeakPolarHBondContact OD1-CB 3.48Å; D262-D302 PolarHBondContact OD1-N 2.62Å; D302-T304 PolarHBondContact OD1-N 3.43Å; D302-T304 PolarHBondContact OD2-N 3.33Å; D302-T304 PolarHBondContact OD2-OG1 2.85Å; D302-N305 PolarHBondContact OD1-N 3.3Å
303	R	82.5	Confident	91.5	Very high	217 Å²	217	40.9 Å²	40.9	82%	0.819	19%	0.19	S	C	*	.	S	Bend	trans	-91.4	-4.2	-175.6	-63.8	-170.9	179	-131.3	-0.4	114.7
304	T	74.6	Confident	91.6	Very high	102 Å²	102	39.1 Å²	39.1	63%	0.626	18%	0.181	S	C	*	.	S	Bend	trans	-125	-31.8	-160.9	64.4	0	0	0	0	114.3	D302	D302-T304 PolarHBondContact OD1-N 3.43Å; D302-T304 PolarHBondContact OD2-N 3.33Å; D302-T304 PolarHBondContact OD2-OG1 2.85Å
305	N	70.3	Confident	91.5	Very high	50 Å²	50	42.4 Å²	42.4	27%	0.267	20%	0.197	S	C	.	.			trans	-116.5	154	-166.9	-63.3	-43.6	0	0	0	113.3	D259 D302	D259-N305 PolarHBondContact OD2-ND2 2.99Å; D302-N305 PolarHBondContact OD1-N 3.3Å
306	Q	80.4	Confident	91.4	Very high	109 Å²	109	43 Å²	43	51%	0.509	20%	0.201	S	C	.	.			trans	-134.5	136.2	173.3	-54.2	-171.6	-75.8	0	0	108.5	K229 Y230	K229-Q306 HydrophobicContact CB-CB 4.01Å; K229-Q306 HydrophobicContact CD-CB 4.44Å; Y230-Q306 WeakPolarHBondContact O-CB 3.32Å; Y230-Q306 WeakPolarHBondContact O-CG 3.29Å; Y230-Q306 PolarHBondContact O-NE2 2.74Å
307	A	86.9	Confident	91.1	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	21%	0.208	C	C	.	.			trans	-136.7	178	171.1	0	0	0	0	0	110.3	K229 Y230 D256 G309	K229-A307 VanDerWaalsContact CA-O 3.22Å; K229-A307 WeakPolarHBondContact CA-O 3.33Å; K229-A307 VanDerWaalsContact CB-O 3.28Å; K229-A307 WeakPolarHBondContact CB-O 3.21Å; Y230-A307 WeakPolarHBondContact CD1-O 3.46Å; Y230-A307 HydrophobicContact CE1-CB 3.63Å; Y230-A307 WeakPolarHBondContact CE1-O 3.48Å; Y230-A307 PolarHBondContact N-O 3.5Å; D256-A307 VanDerWaalsContact O-CB 3.27Å; D256-A307 WeakPolarHBondContact O-CB 3.43Å; A307-G309 PolarHBondContact O-N 2.74Å
308	H	90.3	Very high	90.7	Very high	71 Å²	71	49.9 Å²	49.9	33%	0.329	23%	0.229	S	C	.	.			trans	-70.5	-18.1	-175.9	-70.9	-85.8	0	0	0	113	F226 F254 D256	F226-H308 WeakPolarHBondContact CD2-O 3.32Å; F254-H308 HydrophobicContact CE1-CB 3.76Å; F254-H308 HydrophobicContact CZ-CB 3.51Å; D256-H308 HydrophobicContact CB-CB 4.2Å; D256-H308 WeakPolarHBondContact OD2-CB 3.35Å; D256-H308 IonicContact OD2-CD2 3.26Å; D256-H308 PolarHBondContact OD2-CD2 2.98Å; D256-H308 VanDerWaalsContact OD2-CD2 3.26Å; D256-H308 IonicContact OD2-CG 3.75Å; D256-H308 PolarHBondContact OD2-N 3.39Å; D256-H308 VanDerWaalsContact OD2-N 3.12Å
309	G	94.2	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.5	-139.7	170.2	0	0	0	0	0	113.5	S223 F254 D256 A307	S223-G309 WeakPolarHBondContact OG-CA 3.2Å; F254-G309 WeakPolarHBondContact CE1-O 3.09Å; D256-G309 CarbonylContact C-O 3.45Å; D256-G309 PolarHBondContact N-O 3.05Å; D256-G309 WeakPolarHBondContact O-CA 3.35Å; D256-G309 PolarHBondContact O-N 3.03Å; A307-G309 PolarHBondContact O-N 2.74Å
310	F	95.8	Very high	88.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.1	-175.6	67	-98.5	0	0	0	112.3	Y222 S223 W238 F252 F254 F255 I257 V264 L297 F299 L312	Y222-F310 CarbonylContact C-O 3.59Å; Y222-F310 WeakPolarHBondContact CA-O 3.28Å; S223-F310 PolarHBondContact N-O 3.49Å; S223-F310 PolarHBondContact OG-N 3.44Å; W238-F310 HydrophobicContact CH2-CZ 4.09Å; W238-F310 HydrophobicContact CZ3-CZ 4.16Å; F252-F310 HydrophobicContact CD1-CB 4.29Å; F252-F310 HydrophobicContact CE1-CB 4.43Å; F252-F310 HydrophobicContact CE1-CD2 4.21Å; F252-F310 HydrophobicContact CE1-CG 4.35Å; F254-F310 CarbonylContact O-C 3.6Å; F254-F310 VanDerWaalsContact O-CA 3.24Å; F254-F310 WeakPolarHBondContact O-CA 3.49Å; F254-F310 WeakPolarHBondContact O-CB 3.44Å; F255-F310 HydrophobicContact CD2-CB 4.07Å; I257-F310 HydrophobicContact CD1-CD1 4.36Å; V264-F310 HydrophobicContact CG2-CD1 3.68Å; V264-F310 HydrophobicContact CG2-CE1 3.76Å; V264-F310 HydrophobicContact CG2-CG 4.49Å; L297-F310 HydrophobicContact CD2-CE2 3.96Å; L297-F310 HydrophobicContact CD2-CZ 4.07Å; F299-F310 HydrophobicContact CB-CE1 4.13Å; F299-F310 HydrophobicContact CB-CZ 4.48Å; F299-F310 HydrophobicContact CD2-CD1 4.39Å; F299-F310 AromaticContact CD2-CE1 3.77Å; F299-F310 HydrophobicContact CD2-CE1 3.77Å; F299-F310 HydrophobicContact CE2-CE1 4.36Å; F299-F310 AromaticContact CG-CE1 3.96Å; F299-F310 HydrophobicContact CG-CE1 3.96Å; F310-L312 HydrophobicContact CD2-CB 4.13Å; F310-L312 HydrophobicContact CE2-CB 4.28Å
311	A	96.5	Very high	86.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.5	163.7	0	0	0	0	0	108.7	Y29 V220 Y222 T253 F254	Y29-A311 HydrophobicContact CD1-CB 4.45Å; Y29-A311 HydrophobicContact CG-CB 4.5Å; V220-A311 HydrophobicContact CG1-CB 4.39Å; Y222-A311 HydrophobicContact CD1-CB 3.62Å; Y222-A311 HydrophobicContact CE1-CB 3.57Å; T253-A311 PolarHBondContact N-O 2.69Å; T253-A311 PolarHBondContact OG1-O 2.9Å; F254-A311 HydrophobicContact CB-CB 3.84Å; F254-A311 PolarHBondContact O-N 2.81Å
312	L	96.8	Very high	84.3	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.3	-177.2	179.5	64.6	0	0	0	109.8	V220 I221 F250 F252 L266 L297 F310	V220-L312 CarbonylContact C-O 3.57Å; V220-L312 VanDerWaalsContact CA-O 3.3Å; V220-L312 WeakPolarHBondContact CA-O 3.34Å; I221-L312 PolarHBondContact N-O 3.41Å; I221-L312 PolarHBondContact O-N 3.15Å; F250-L312 HydrophobicContact CB-CD1 3.98Å; F250-L312 HydrophobicContact CD1-CD1 4.16Å; F250-L312 HydrophobicContact CD1-CD2 3.92Å; F250-L312 HydrophobicContact CD1-CG 4.19Å; F250-L312 HydrophobicContact CE1-CD2 4.44Å; F252-L312 HydrophobicContact CD1-CB 4.34Å; F252-L312 HydrophobicContact CD1-CD1 3.91Å; F252-L312 HydrophobicContact CD2-CD1 3.64Å; F252-L312 HydrophobicContact CE1-CB 4.2Å; F252-L312 HydrophobicContact CE1-CD1 3.81Å; F252-L312 HydrophobicContact CE1-CG 4.4Å; F252-L312 HydrophobicContact CE2-CD1 3.53Å; F252-L312 HydrophobicContact CG-CD1 3.84Å; F252-L312 HydrophobicContact CZ-CD1 3.62Å; F252-L312 HydrophobicContact CZ-CD2 4.28Å; F252-L312 HydrophobicContact CZ-CG 4.41Å; L266-L312 HydrophobicContact CD2-CD2 4.45Å; L297-L312 HydrophobicContact CD1-CD2 3.78Å; L297-L312 HydrophobicContact CD2-CD2 3.69Å; L297-L312 HydrophobicContact CG-CD2 4.28Å; F310-L312 HydrophobicContact CD2-CB 4.13Å; F310-L312 HydrophobicContact CE2-CB 4.28Å
313	L	96.3	Very high	82.4	Confident	27 Å²	27	77.6 Å²	77.6	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.7	168.3	173.8	66.3	0	0	0	109.1	F24 V220 F250 N251 T253	F24-L313 HydrophobicContact CB-CD1 4.22Å; F24-L313 HydrophobicContact CD1-CD1 4.15Å; F24-L313 HydrophobicContact CG-CD1 4.19Å; V220-L313 HydrophobicContact CG2-CB 4.3Å; V220-L313 HydrophobicContact CG2-CD1 3.79Å; F250-L313 CarbonylContact C-O 3.51Å; F250-L313 WeakPolarHBondContact CA-O 3.42Å; N251-L313 HydrophobicContact CB-CB 4.34Å; N251-L313 PolarHBondContact N-O 2.98Å; N251-L313 PolarHBondContact O-N 3.27Å; T253-L313 HydrophobicContact CG2-CB 4.28Å
314	Y	96.5	Very high	80.5	Confident	1 Å²	1	73 Å²	73	0%	0.004	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.6	170.8	77.9	-93.3	0	0	0	111.4	Y214 S216 A218 G219 I221 I240 V242 I248 L249	Y214-Y314 AromaticContact CD1-CE1 3.92Å; Y214-Y314 HydrophobicContact CD1-CE1 3.92Å; Y214-Y314 HydrophobicContact CG-CE1 4.35Å; S216-Y314 VanDerWaalsContact O-CE2 3.24Å; S216-Y314 WeakPolarHBondContact O-CE2 3.17Å; S216-Y314 PolarHBondContact O-OH 3.31Å; A218-Y314 WeakPolarHBondContact CA-O 3.36Å; A218-Y314 WeakPolarHBondContact CB-O 3.37Å; G219-Y314 VanDerWaalsContact CA-CE1 3.46Å; G219-Y314 PolarHBondContact N-O 2.93Å; G219-Y314 VanDerWaalsContact N-O 3.17Å; G219-Y314 WeakPolarHBondContact O-CD1 3.36Å; G219-Y314 PolarHBondContact O-N 2.8Å; I221-Y314 HydrophobicContact CD1-CD1 4.3Å; I221-Y314 HydrophobicContact CD1-CE1 4.37Å; I221-Y314 HydrophobicContact CG1-CD1 4.45Å; I221-Y314 HydrophobicContact CG1-CE1 4.43Å; I240-Y314 HydrophobicContact CD1-CD1 4.22Å; I240-Y314 HydrophobicContact CD1-CG 4.42Å; I240-Y314 HydrophobicContact CG2-CD2 3.87Å; I240-Y314 HydrophobicContact CG2-CE1 4.39Å; I240-Y314 HydrophobicContact CG2-CE2 3.75Å; I240-Y314 HydrophobicContact CG2-CG 4.26Å; V242-Y314 HydrophobicContact CG2-CE2 4.43Å; I248-Y314 HydrophobicContact CG2-CD2 4.12Å; L249-Y314 CarbonylContact O-C 3.5Å; L249-Y314 WeakPolarHBondContact O-CA 3.31Å
315	Q	95.9	Very high	78.9	Confident	105 Å²	105	73.9 Å²	73.9	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	118.2	176.6	-172.9	176.5	13.8	0	0	110.4	L249	L249-Q315 PolarHBondContact N-O 2.94Å; L249-Q315 PolarHBondContact O-N 2.98Å
316	A	95.8	Very high	77.5	Confident	12 Å²	12	78.1 Å²	78.1	10%	0.099	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.7	176.9	0	0	0	0	0	110.8	P217 V242 I248	P217-A316 WeakPolarHBondContact O-CB 3.47Å; P217-A316 PolarHBondContact O-N 3.29Å; V242-A316 HydrophobicContact CB-CB 3.95Å; V242-A316 HydrophobicContact CG1-CB 3.7Å; V242-A316 HydrophobicContact CG2-CB 4.09Å; I248-A316 HydrophobicContact CG1-CB 4.27Å
317	L	94	Very high	75.4	Confident	53 Å²	53	78.9 Å²	78.9	28%	0.277	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130	179	-58.3	-179.4	0	0	0	110.3	S245 Y246 A247 L249	S245-L317 WeakPolarHBondContact CA-O 3.42Å; Y246-L317 PolarHBondContact N-O 2.78Å; A247-L317 PolarHBondContact O-N 3.39Å; L249-L317 HydrophobicContact CD1-CD1 3.86Å; L249-L317 HydrophobicContact CD1-CD2 4.08Å; L249-L317 HydrophobicContact CD1-CG 4.19Å; L249-L317 HydrophobicContact CD2-CD1 4.25Å; L249-L317 HydrophobicContact CG-CD1 3.82Å; L249-L317 HydrophobicContact CG-CD2 4.49Å; L249-L317 HydrophobicContact CG-CG 4.11Å
318	R	89.5	Confident	72.9	Confident	120 Å²	120	90.4 Å²	90.4	45%	0.453	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-97.2	151.8	170.5	-71	-171.3	158	114.8	2.2	110.3	P243 Q320 D321	P243-R318 PolarHBondContact O-NH2 3.15Å; R318-Q320 PolarHBondContact O-N 3.16Å; R318-D321 PolarHBondContact N-OD2 3.2Å; R318-D321 PolarHBondContact O-N 3.35Å
319	R	74	Confident	70.2	Confident	196 Å²	196	90 Å²	90	74%	0.74	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.6	-176.1	-153	-178.5	-75.2	-174.2	-2.3	113.7
320	Q	65.2	Low	67.3	Low	168 Å²	168	95.2 Å²	95.2	79%	0.785	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.1	175	-71	179.6	-9	0	0	112.9	R318 A322 R323	R318-Q320 PolarHBondContact O-N 3.16Å; Q320-A322 VanDerWaalsContact C-N 3.26Å; Q320-A322 PolarHBondContact O-N 3.03Å; Q320-R323 PolarHBondContact O-N 2.9Å
321	D	57.4	Low	64.6	Low	97 Å²	97	103 Å²	103	52%	0.519	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-76.7	-14.5	-179.9	-54.6	-45.9	0	0	0	112.7	R318 T324	R318-D321 PolarHBondContact N-OD2 3.2Å; R318-D321 PolarHBondContact O-N 3.35Å; D321-T324 PolarHBondContact O-OG1 2.98Å
322	A	50.9	Low	61.5	Low	75 Å²	75	112.2 Å²	112.2	62%	0.62	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-85.6	-2	176	0	0	0	0	0	114	Q320	Q320-A322 VanDerWaalsContact C-N 3.26Å; Q320-A322 PolarHBondContact O-N 3.03Å
323	R	45.8	Very low	58.4	Low	222 Å²	222	122.1 Å²	122.1	84%	0.838	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-98	-4.2	179.1	-85.7	-174.4	-178.7	177.3	0.8	114.5	Q320	Q320-R323 PolarHBondContact O-N 2.9Å
324	T	43.3	Very low	55.1	Low	119 Å²	119	130.3 Å²	130.3	73%	0.73	66%	0.656	S	S	*	*	S	Bend	trans	-94.7	3.4	-175.6	11.9	0	0	0	0	114.7	D321	D321-T324 PolarHBondContact O-OG1 2.98Å
325	T	41	Very low	52	Low	122 Å²	122	139.1 Å²	139.1	75%	0.748	70%	0.697	S	S	*	*			trans	-112.8	32.9	179	27.3	0	0	0	0	114.7
326	I	40.5	Very low	48.9	Very low	139 Å²	139	142.6 Å²	142.6	71%	0.713	71%	0.711	S	S	*	*			trans	-113	113.4	160.7	-56.4	-174.4	0	0	0	108.3	R328	I326-R328 PolarHBondContact O-N 3.21Å
327	P	37.3	Very low	45.6	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	75%	0.747	S	S	*	*			trans	-64.4	107.1	167.2	-9.2	23.9	0	0	0	107.3	G329	P327-G329 PolarHBondContact O-N 2.85Å
328	R	33.3	Very low	42.5	Very low	247 Å²	247	151.5 Å²	151.5	93%	0.932	77%	0.769	S	S	*	*			trans	-71.7	97.8	170.5	-122.9	176.4	179.4	169	-3	107	I326	I326-R328 PolarHBondContact O-N 3.21Å
329	G	34.7	Very low	39.4	Very low	62 Å²	62	151.2 Å²	151.2	64%	0.639	79%	0.785	S	S	*	*			trans	-61.9	134.5	168.9	0	0	0	0	0	110.8	P327	P327-G329 PolarHBondContact O-N 2.85Å
330	S	33.7	Very low	37.1	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	78%	0.78	S	S	*	*			trans	44.6	116.2	151.7	55.8	0	0	0	0	119.3	E332	S330-E332 PolarHBondContact O-N 2.87Å
331	D	37.7	Very low	35.2	Very low	162 Å²	162	143.7 Å²	143.7	87%	0.866	78%	0.777	S	S	*	*			trans	-26.1	121	156.7	-59.2	-60.9	0	0	0	115.4
332	E	31.8	Very low	33.8	Very low	195 Å²	195	146.8 Å²	146.8	91%	0.911	79%	0.792	S	S	*	*			trans	-130.9	129.8	144.1	-74.9	-165.1	157.4	0	0	109.8	S330	S330-E332 PolarHBondContact O-N 2.87Å
333	K	32.3	Very low	32.7	Very low	208 Å²	208	146.1 Å²	146.1	90%	0.904	79%	0.793	S	S	*	*			trans	-65.9	131.7	-169.8	-67.7	170.7	175.1	174.8	0	111.8
334	E	27.3	Very low	32.5	Very low	198 Å²	198	141.3 Å²	141.3	93%	0.925	79%	0.79	S	S	*	*			trans	-71.4	127.8	161.5	-86.9	-175.1	153.4	0	0	110.6
335	H	30.5	Very low	31.6	Very low	186 Å²	186	143.3 Å²	143.3	86%	0.861	79%	0.791	S	S	*	*			trans	-116	130.4	155.4	-130.6	-65.4	0	0	0	108.6
336	K	30.3	Very low	30.8	Very low	179 Å²	179	144.7 Å²	144.7	78%	0.778	79%	0.794	S	S	*	*			trans	-52.4	144.1	177.6	-63.3	173.6	172.4	178.2	0	112.5
337	D	27.6	Very low	30	Very low	162 Å²	162	143 Å²	143	87%	0.866	79%	0.794	S	S	*	*				-177	163.9	105.4	-89.4	-28.3	0	0	0	113.4
338	A	28.1	Very low	29.5	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	79%	0.793	S	S	*	*			trans	-75.3	176.7	-158.9	0	0	0	0	0	117.1
339	S	24	Very low	29.1	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	79%	0.785	S	S	*	*			trans	79.8	141.5	155.2	-154.4	0	0	0	0	114.1
340	S	25.4	Very low	28.7	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	79%	0.788	S	S	*	*			cis	-175	157.2	-11.2	55	0	0	0	0	105.6
341	T	25.8	Very low	28.4	Very low	118 Å²	118	140.2 Å²	140.2	72%	0.724	79%	0.794	S	S	*	*			trans	57.7	142.2	147.9	-9.5	0	0	0	0	122.1
342	L	28.9	Very low	28	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	79%	0.793	S	S	*	*			trans	82.5	114	151.6	-75.1	141.5	0	0	0	118.9
343	G	28	Very low	27.8	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	79%	0.791	S	S	*	*			trans	-67.3	176	143.7	0	0	0	0	0	110.7
344	P	39.8	Very low	27.6	Very low	122 Å²	122	130.6 Å²	130.6	79%	0.792	78%	0.781	S	S	*	*			cis	-151.7	177.7	46.1	40	-17.8	0	0	0	117.4
345	Q	24.8	Very low	27.5	Very low	160 Å²	160	128 Å²	128	75%	0.748	77%	0.773	S	S	*	*			trans	51	118.6	138	-67.4	-91.6	-10.8	0	0	122.7
346	L	25.5	Very low	27.4	Very low	152 Å²	152	123.8 Å²	123.8	80%	0.796	77%	0.765	S	S	*	*				67.8	146.7	118.4	-141.8	75.4	0	0	0	123
347	S	23.4	Very low	27.3	Very low	102 Å²	102	122 Å²	122	71%	0.713	77%	0.769	S	S	*	*			trans	92.2	109.4	165.9	77.3	0	0	0	0	115.3
348	S	25.9	Very low	27.5	Very low	113 Å²	113	118.8 Å²	118.8	79%	0.79	77%	0.765	S	S	*	*				83.6	115.9	66	77	0	0	0	0	114.5
349	S	25.5	Very low	27.6	Very low	109 Å²	109	122.7 Å²	122.7	76%	0.762	77%	0.774	S	S	*	*			trans	174.7	103.6	146	-176.8	0	0	0	0	106.7
350	V	26.9	Very low	27.9	Very low	116 Å²	116	120.5 Å²	120.5	70%	0.703	77%	0.769	S	S	*	*				53.5	114.5	80.7	-173.5	0	0	0	0	113.6
351	T	27	Very low	28.2	Very low	149 Å²	149	127.3 Å²	127.3	91%	0.914	78%	0.781	S	S	*	*			trans	-147.4	123.7	136	-21.8	0	0	0	0	109
352	E	28.5	Very low	28.4	Very low	180 Å²	180	126.9 Å²	126.9	84%	0.841	78%	0.778	S	S	*	*			trans	-76.7	159.6	176.8	-74.9	174.3	123	0	0	112.9
353	G	27.5	Very low	28.8	Very low	84 Å²	84	124.7 Å²	124.7	87%	0.866	78%	0.776	S	S	*	*			trans	-165.4	105.8	157.1	0	0	0	0	0	109.7
354	S	28.3	Very low	29	Very low	99 Å²	99	130 Å²	130	69%	0.692	79%	0.785	S	S	*	*			trans	-98	155.7	-161.2	48.8	0	0	0	0	115.3
355	N	25.6	Very low	28.9	Very low	143 Å²	143	130.1 Å²	130.1	77%	0.765	78%	0.777	S	S	*	*				171	104.4	125.4	-93.1	-28.2	0	0	0	110
356	S	28.8	Very low	29.2	Very low	98 Å²	98	130 Å²	130	69%	0.685	78%	0.781	S	S	*	*				62.2	119.4	96	71.2	0	0	0	0	112.7
357	T	27.8	Very low	29.4	Very low	140 Å²	140	132 Å²	132	86%	0.859	78%	0.779	S	S	*	*				-153.8	150.1	63.6	32.7	0	0	0	0	114.1
358	A	31.9	Very low	29.7	Very low	95 Å²	95	132.7 Å²	132.7	79%	0.785	78%	0.779	S	S	*	*			trans	-76.1	152.4	-177.9	0	0	0	0	0	114.9
359	N	30.1	Very low	29.9	Very low	172 Å²	172	134.8 Å²	134.8	92%	0.92	78%	0.779	S	S	*	*			trans	-157	116.9	131.1	-118.4	-3.8	0	0	0	110.4
360	G	30.4	Very low	30.3	Very low	67 Å²	67	135.5 Å²	135.5	69%	0.691	78%	0.78	S	S	*	*			trans	-92.1	151	174.5	0	0	0	0	0	112.3
361	R	31.8	Very low	30.4	Very low	232 Å²	232	135.3 Å²	135.3	88%	0.875	78%	0.783	S	S	*	*			trans	-177.8	106.6	141.8	-105.8	171.8	174.9	167.1	-1.1	109
362	T	29.2	Very low	30.5	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	78%	0.778	S	S	*	*				76.9	113.8	103.6	54.5	0	0	0	0	114.7
363	S	38.6	Very low	30.9	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	78%	0.775	S	S	*	*			trans	-54.8	127.6	172.5	-39.2	0	0	0	0	112.6
364	H	32.5	Very low	31	Very low	173 Å²	173	130.4 Å²	130.4	80%	0.801	77%	0.771	S	S	*	*			trans	-120.4	103.7	161	-83.1	-78.9	0	0	0	109.1
365	I	37.5	Very low	31.4	Very low	123 Å²	123	135.1 Å²	135.1	63%	0.631	78%	0.779	S	S	*	*			trans	-75.8	122.7	166.2	-62.3	165.9	0	0	0	106.5	Y367	I365-Y367 HydrophobicContact CB-CE2 4.35Å; I365-Y367 HydrophobicContact CG2-CD2 3.58Å; I365-Y367 HydrophobicContact CG2-CE2 3.25Å; I365-Y367 HydrophobicContact CG2-CG 4.38Å
366	L	29.7	Very low	32	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	78%	0.781	S	S	*	*			trans	-101.5	102.6	173.3	-148.7	84.7	0	0	0	108.6
367	Y	30	Very low	32.1	Very low	194 Å²	194	137.1 Å²	137.1	76%	0.761	78%	0.783	S	S	*	*			trans	-86.4	125.4	165.3	-71.4	-81	0	0	0	108.7	I365	I365-Y367 HydrophobicContact CB-CE2 4.35Å; I365-Y367 HydrophobicContact CG2-CD2 3.58Å; I365-Y367 HydrophobicContact CG2-CE2 3.25Å; I365-Y367 HydrophobicContact CG2-CG 4.38Å
368	V	31.2	Very low	32.4	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.715	77%	0.774	S	S	*	*			trans	-103.2	104.1	167	179.2	0	0	0	0	107.6	T370	V368-T370 HydrophobicContact CG1-CG2 4.08Å
369	I	29.7	Very low	32.2	Very low	156 Å²	156	139.8 Å²	139.8	80%	0.8	77%	0.774	S	S	*	*			trans	-91.7	118.9	169.1	-60.1	171.6	0	0	0	106.5
370	T	32.5	Very low	32.2	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	77%	0.773	S	S	*	*			trans	-110.3	119.5	163.6	66.9	0	0	0	0	109.3	V368	V368-T370 HydrophobicContact CG1-CG2 4.08Å
371	S	29.6	Very low	32.6	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	78%	0.78	S	S	*	*			trans	-67.4	138	-177.7	47	0	0	0	0	114
372	S	30.5	Very low	32.5	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	78%	0.778	S	S	*	*			trans	-75	150.1	164.2	-171.1	0	0	0	0	111.6
373	P	35.7	Very low	32.5	Very low	120 Å²	120	138.4 Å²	138.4	78%	0.779	78%	0.782	S	S	*	*			trans	-115.1	119.5	161.7	28.5	-13.2	0	0	0	113.3
374	G	30.1	Very low	32	Very low	75 Å²	75	143.4 Å²	143.4	77%	0.773	78%	0.783	S	S	*	*				76.1	100.4	120.8	0	0	0	0	0	120
375	K	37	Very low	32.1	Very low	197 Å²	197	140 Å²	140	86%	0.857	78%	0.784	S	S	*	*			trans	-66.3	163.7	151.9	-115.9	177.9	179.9	179.2	0	111.2
376	P	37.5	Very low	31.6	Very low	124 Å²	124	138 Å²	138	81%	0.805	80%	0.795	S	S	*	*				-131	157.4	121.8	32.9	-20.8	0	0	0	114.2
377	E	31.3	Very low	32	Very low	159 Å²	159	143 Å²	143	74%	0.743	80%	0.803	S	S	*	*			trans	-77	173.4	-179.2	-47.4	172	140	0	0	111.3
378	H	33.1	Very low	32.1	Very low	144 Å²	144	137.2 Å²	137.2	67%	0.667	80%	0.802	S	S	*	*			cis	-171.7	158.9	26.4	-124	-63.4	0	0	0	109.2
379	N	27.7	Very low	32.2	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	81%	0.81	S	S	*	*			trans	93	125.9	149.3	-64.5	-8.9	0	0	0	122.9
380	M	30.2	Very low	32.8	Very low	181 Å²	181	138.6 Å²	138.6	89%	0.892	81%	0.805	S	S	*	*			trans	-114.8	147.3	161	-165	137.5	89.2	0	0	106.6
381	P	39.2	Very low	33.6	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	80%	0.803	S	S	*	*				-158	170	91.5	38.6	-17.9	0	0	0	116.8
382	G	29	Very low	34.5	Very low	81 Å²	81	135.6 Å²	135.6	84%	0.835	79%	0.794	S	S	*	*			trans	103.3	153.6	137.1	0	0	0	0	0	119.6
383	Q	29.6	Very low	35.4	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	79%	0.793	S	S	*	*			trans	-106.7	164.7	-159	-175.1	172.4	-5.2	0	0	113
384	W	28.7	Very low	36.2	Very low	220 Å²	220	136.8 Å²	136.8	83%	0.833	79%	0.786	S	S	*	*			trans	109.8	117	157.9	-63.9	94.7	0	0	0	120.3
385	A	33.6	Very low	37.4	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	77%	0.769	S	S	*	*			trans	52	126.2	141.3	0	0	0	0	0	123.2
386	G	26.9	Very low	38.2	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	75%	0.754	S	S	*	*			trans	164.9	115.3	155.3	0	0	0	0	0	116
387	R	39.2	Very low	39	Very low	262 Å²	262	135.4 Å²	135.4	99%	0.989	75%	0.753	S	S	*	*			trans	-66.8	150.8	171.1	-93.2	178.2	179.6	-159.6	0.3	112.9
388	G	31.6	Very low	40.8	Very low	73 Å²	73	131.7 Å²	131.7	75%	0.753	74%	0.741	S	S	*	*			trans	156	101.7	151.5	0	0	0	0	0	117.8
389	E	33.9	Very low	42.7	Very low	187 Å²	187	130.1 Å²	130.1	87%	0.874	74%	0.736	S	S	*	*			trans	63.7	101.8	146.3	-75.4	173.3	146.6	0	0	124.8
390	T	42.5	Very low	45.1	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	73%	0.727	S	S	*	*				36.5	117.1	129.2	56.5	0	0	0	0	121.6
391	T	48.7	Very low	47.3	Very low	116 Å²	116	124.5 Å²	124.5	71%	0.712	71%	0.708	S	S	*	*				60.2	104.6	74.7	65.8	0	0	0	0	116.3
392	G	48.3	Very low	49.4	Very low	58 Å²	58	123.9 Å²	123.9	60%	0.598	70%	0.697	S	S	*	*	S	Bend	trans	-130.4	-10	-178.9	0	0	0	0	0	118.5
393	H	48.8	Very low	52.2	Low	169 Å²	169	122 Å²	122	78%	0.782	67%	0.674	S	S	*	*	S	Bend	trans	-127.8	-16.9	-171.4	-79.1	-103.3	0	0	0	116.1
394	S	54.3	Low	55	Low	92 Å²	92	116.6 Å²	116.6	64%	0.643	66%	0.657	S	S	*	*	S	Bend	trans	-93.5	-20.6	179.3	48.9	0	0	0	0	114.6
395	A	53.7	Low	57.9	Low	50 Å²	50	111.5 Å²	111.5	41%	0.413	65%	0.646	S	S	.	*	H	α-helix	trans	-82	-19.5	178.5	0	0	0	0	0	113.7	T398 I399	A395-T398 PolarHBondContact O-OG1 3.03Å; A395-I399 WeakPolarHBondContact O-CD1 3.4Å; A395-I399 VanDerWaalsContact O-CG1 3.29Å; A395-I399 WeakPolarHBondContact O-CG1 3.4Å; A395-I399 PolarHBondContact O-N 3.07Å
396	M	54.5	Low	60.7	Low	108 Å²	108	112.3 Å²	112.3	53%	0.532	64%	0.635	S	S	.	*	H	α-helix	trans	-75	-39.5	-177.1	-171	168.5	158.9	0	0	111.5	T398 I399 Y400	M396-T398 PolarHBondContact O-N 2.75Å; M396-I399 PolarHBondContact O-N 3.26Å; M396-Y400 HydrophobicContact CE-CE2 3.67Å; M396-Y400 HydrophobicContact CG-CD2 4.02Å; M396-Y400 HydrophobicContact CG-CE2 3.53Å; M396-Y400 WeakPolarHBondContact O-CD2 3.42Å; M396-Y400 PolarHBondContact O-N 3.34Å; M396-Y400 HydrophobicContact SD-CE2 4.44Å
397	W	54.3	Low	63.9	Low	209 Å²	209	113.7 Å²	113.7	79%	0.792	62%	0.622	S	S	*	*	H	α-helix	trans	-67.4	-33.7	177.8	-72.6	96	0	0	0	113.4	A401	W397-A401 WeakPolarHBondContact O-CB 3.29Å; W397-A401 PolarHBondContact O-N 3.3Å; W397-A401 VanDerWaalsContact O-N 3.15Å
398	T	69.4	Low	66.4	Low	80 Å²	80	106.9 Å²	106.9	49%	0.491	61%	0.605	S	S	.	*	H	α-helix	trans	-73.5	-34.7	178.3	51.5	0	0	0	0	112	A395 M396 L402	A395-T398 PolarHBondContact O-OG1 3.03Å; M396-T398 PolarHBondContact O-N 2.75Å; T398-L402 WeakPolarHBondContact O-CB 3.24Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.38Å; T398-L402 PolarHBondContact O-N 3Å
399	I	72.6	Confident	69.3	Low	111 Å²	111	106.8 Å²	106.8	57%	0.569	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-43.9	176.5	-66.5	167.4	0	0	0	111.2	A395 M396 A401 L402 A403	A395-I399 WeakPolarHBondContact O-CD1 3.4Å; A395-I399 VanDerWaalsContact O-CG1 3.29Å; A395-I399 WeakPolarHBondContact O-CG1 3.4Å; A395-I399 PolarHBondContact O-N 3.07Å; M396-I399 PolarHBondContact O-N 3.26Å; I399-A401 PolarHBondContact O-N 3.18Å; I399-L402 PolarHBondContact O-N 3.4Å; I399-A403 WeakPolarHBondContact O-CB 3.33Å; I399-A403 PolarHBondContact O-N 3.04Å
400	Y	78.5	Confident	72.2	Confident	151 Å²	151	101.9 Å²	101.9	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-66.2	-37.6	177	-73.2	-65.6	0	0	0	112.6	M396 A403 A404	M396-Y400 HydrophobicContact CE-CE2 3.67Å; M396-Y400 HydrophobicContact CG-CD2 4.02Å; M396-Y400 HydrophobicContact CG-CE2 3.53Å; M396-Y400 WeakPolarHBondContact O-CD2 3.42Å; M396-Y400 PolarHBondContact O-N 3.34Å; M396-Y400 HydrophobicContact SD-CE2 4.44Å; Y400-A403 PolarHBondContact O-N 3.26Å; Y400-A404 WeakPolarHBondContact O-CB 3.07Å; Y400-A404 PolarHBondContact O-N 2.92Å
401	A	77.1	Confident	74.6	Confident	60 Å²	60	100.6 Å²	100.6	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-43.5	175.6	0	0	0	0	0	112	W397 I399 A404 L405	W397-A401 WeakPolarHBondContact O-CB 3.29Å; W397-A401 PolarHBondContact O-N 3.3Å; W397-A401 VanDerWaalsContact O-N 3.15Å; I399-A401 PolarHBondContact O-N 3.18Å; A401-A404 PolarHBondContact O-N 3.27Å; A401-L405 PolarHBondContact O-N 3.15Å
402	L	83	Confident	76.6	Confident	115 Å²	115	98 Å²	98	60%	0.602	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-37.7	177.2	-70.7	171.4	0	0	0	112.2	T398 I399 L405 L406	T398-L402 WeakPolarHBondContact O-CB 3.24Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.38Å; T398-L402 PolarHBondContact O-N 3Å; I399-L402 PolarHBondContact O-N 3.4Å; L402-L405 PolarHBondContact O-N 3.26Å; L402-L406 PolarHBondContact O-N 3.01Å
403	A	87	Confident	78.7	Confident	42 Å²	42	102 Å²	102	35%	0.347	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-42.2	174.4	0	0	0	0	0	111.8	I399 Y400 L405 L406 I407	I399-A403 WeakPolarHBondContact O-CB 3.33Å; I399-A403 PolarHBondContact O-N 3.04Å; Y400-A403 PolarHBondContact O-N 3.26Å; A403-L405 VanDerWaalsContact C-N 3.34Å; A403-L405 PolarHBondContact O-N 3.43Å; A403-L406 PolarHBondContact O-N 3.42Å; A403-I407 VanDerWaalsContact O-CG1 3.26Å; A403-I407 WeakPolarHBondContact O-CG1 3.47Å; A403-I407 PolarHBondContact O-N 3.01Å
404	A	88.8	Confident	80.8	Confident	49 Å²	49	97.4 Å²	97.4	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-39.7	175.3	0	0	0	0	0	112.1	Y400 A401 I407 L408	Y400-A404 WeakPolarHBondContact O-CB 3.07Å; Y400-A404 PolarHBondContact O-N 2.92Å; A401-A404 PolarHBondContact O-N 3.27Å; A404-I407 PolarHBondContact O-N 2.94Å; A404-L408 PolarHBondContact O-N 3.46Å
405	L	88.6	Confident	82.5	Confident	113 Å²	113	95.7 Å²	95.7	59%	0.592	54%	0.535	S	S	*	.	H	α-helix	trans	-64.7	-42.1	177	-145.7	103.6	0	0	0	111.7	A401 L402 A403 L408 T409	A401-L405 PolarHBondContact O-N 3.15Å; L402-L405 PolarHBondContact O-N 3.26Å; A403-L405 VanDerWaalsContact C-N 3.34Å; A403-L405 PolarHBondContact O-N 3.43Å; L405-L408 PolarHBondContact O-N 3.47Å; L405-T409 VanDerWaalsContact O-CG2 3.31Å; L405-T409 WeakPolarHBondContact O-CG2 3.31Å; L405-T409 PolarHBondContact O-N 3.39Å
406	L	92.8	Very high	84.2	Confident	116 Å²	116	100.1 Å²	100.1	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-64.5	-40.3	175.3	-90.6	167.9	0	0	0	112.6	L402 A403 L408 T409 V410	L402-L406 PolarHBondContact O-N 3.01Å; A403-L406 PolarHBondContact O-N 3.42Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L406-T409 PolarHBondContact O-N 3.07Å; L406-T409 PolarHBondContact O-OG1 3.01Å; L406-V410 WeakPolarHBondContact O-CG2 3.26Å; L406-V410 PolarHBondContact O-N 3.48Å; L406-V410 VanDerWaalsContact O-N 3.11Å
407	I	93.7	Very high	85.7	Confident	112 Å²	112	100.5 Å²	100.5	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-64.3	-43.3	176.9	-68.1	164.9	0	0	0	110.2	A403 A404 T409 V410 V411	A403-I407 VanDerWaalsContact O-CG1 3.26Å; A403-I407 WeakPolarHBondContact O-CG1 3.47Å; A403-I407 PolarHBondContact O-N 3.01Å; A404-I407 PolarHBondContact O-N 2.94Å; I407-T409 PolarHBondContact O-N 3.39Å; I407-V410 PolarHBondContact O-N 3.36Å; I407-V411 HydrophobicContact CG2-CG2 4.4Å; I407-V411 VanDerWaalsContact O-CG2 3.29Å; I407-V411 WeakPolarHBondContact O-CG2 3.29Å; I407-V411 PolarHBondContact O-N 3.5Å
408	L	92	Very high	86.9	Confident	119 Å²	119	95.8 Å²	95.8	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-40.6	177.8	-82.1	165.3	0	0	0	112.7	A404 L405 L406 V411 A412	A404-L408 PolarHBondContact O-N 3.46Å; L405-L408 PolarHBondContact O-N 3.47Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L408-V411 PolarHBondContact O-N 2.9Å; L408-A412 WeakPolarHBondContact O-CB 3.37Å; L408-A412 PolarHBondContact O-N 2.97Å
409	T	92.8	Very high	87.3	Confident	70 Å²	70	97.8 Å²	97.8	43%	0.429	55%	0.545	S	S	.	.	H	α-helix	trans	-68.8	-38.5	178.5	61.5	0	0	0	0	112.3	L405 L406 I407 A412 M413	L405-T409 VanDerWaalsContact O-CG2 3.31Å; L405-T409 WeakPolarHBondContact O-CG2 3.31Å; L405-T409 PolarHBondContact O-N 3.39Å; L406-T409 PolarHBondContact O-N 3.07Å; L406-T409 PolarHBondContact O-OG1 3.01Å; I407-T409 PolarHBondContact O-N 3.39Å; T409-A412 PolarHBondContact O-N 3Å; T409-M413 WeakPolarHBondContact O-CB 3.34Å; T409-M413 WeakPolarHBondContact O-CG 3.19Å; T409-M413 PolarHBondContact O-N 3.3Å
410	V	94.1	Very high	87.3	Confident	85 Å²	85	98.6 Å²	98.6	52%	0.515	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-44	174.9	173.5	0	0	0	0	111	L406 I407 A412 M413 V414	L406-V410 WeakPolarHBondContact O-CG2 3.26Å; L406-V410 PolarHBondContact O-N 3.48Å; L406-V410 VanDerWaalsContact O-N 3.11Å; I407-V410 PolarHBondContact O-N 3.36Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 2.98Å; V410-M413 PolarHBondContact O-N 3.01Å; V410-V414 HydrophobicContact CG1-CG2 4.38Å; V410-V414 WeakPolarHBondContact O-CG2 3.32Å; V410-V414 PolarHBondContact O-N 3.02Å
411	V	93.3	Very high	86.9	Confident	88 Å²	88	96.3 Å²	96.3	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-60.7	-43.6	176.8	171.2	0	0	0	0	111.1	I407 L408 M413 V414 A415	I407-V411 HydrophobicContact CG2-CG2 4.4Å; I407-V411 VanDerWaalsContact O-CG2 3.29Å; I407-V411 WeakPolarHBondContact O-CG2 3.29Å; I407-V411 PolarHBondContact O-N 3.5Å; L408-V411 PolarHBondContact O-N 2.9Å; V411-M413 PolarHBondContact O-N 3.37Å; V411-V414 PolarHBondContact O-N 3.46Å; V411-A415 WeakPolarHBondContact O-CB 3.48Å; V411-A415 PolarHBondContact O-N 3.36Å
412	A	92.1	Very high	86.4	Confident	62 Å²	62	98.5 Å²	98.5	51%	0.512	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-39.8	177	0	0	0	0	0	112.5	L408 T409 V410 K416	L408-A412 WeakPolarHBondContact O-CB 3.37Å; L408-A412 PolarHBondContact O-N 2.97Å; T409-A412 PolarHBondContact O-N 3Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 2.98Å; A412-K416 WeakPolarHBondContact O-CB 3.4Å; A412-K416 PolarHBondContact O-N 3.29Å
413	M	91.3	Very high	85.4	Confident	141 Å²	141	98.6 Å²	98.6	70%	0.695	56%	0.56	S	S	*	*	H	α-helix	trans	-65.7	-43.3	176.9	-72.3	-85.6	-85.1	0	0	111.9	T409 V410 V411 K416 L417	T409-M413 WeakPolarHBondContact O-CB 3.34Å; T409-M413 WeakPolarHBondContact O-CG 3.19Å; T409-M413 PolarHBondContact O-N 3.3Å; V410-M413 PolarHBondContact O-N 3.01Å; V411-M413 PolarHBondContact O-N 3.37Å; M413-K416 PolarHBondContact O-N 3.42Å; M413-L417 WeakPolarHBondContact O-CB 3.46Å; M413-L417 PolarHBondContact O-N 3.25Å
414	V	92.1	Very high	83.7	Confident	73 Å²	73	105 Å²	105	44%	0.442	58%	0.58	S	S	.	*	H	α-helix	trans	-66.4	-42.7	177.2	173.9	0	0	0	0	111	V410 V411 K416 L417 L418	V410-V414 HydrophobicContact CG1-CG2 4.38Å; V410-V414 WeakPolarHBondContact O-CG2 3.32Å; V410-V414 PolarHBondContact O-N 3.02Å; V411-V414 PolarHBondContact O-N 3.46Å; V414-K416 VanDerWaalsContact C-N 3.34Å; V414-K416 PolarHBondContact O-N 2.97Å; V414-L417 PolarHBondContact O-N 3.36Å; V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.31Å; V414-L418 WeakPolarHBondContact O-CB 3.33Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.01Å
415	A	91.3	Very high	81.7	Confident	56 Å²	56	107.8 Å²	107.8	46%	0.463	59%	0.592	S	S	.	*	H	α-helix	trans	-60.7	-43	176.1	0	0	0	0	0	111.9	V411 L417 L418 L419	V411-A415 WeakPolarHBondContact O-CB 3.48Å; V411-A415 PolarHBondContact O-N 3.36Å; A415-L417 PolarHBondContact O-N 3.11Å; A415-L418 PolarHBondContact O-N 3.45Å; A415-L419 WeakPolarHBondContact O-CB 3.47Å; A415-L419 PolarHBondContact O-N 2.92Å
416	K	88.8	Confident	79.9	Confident	143 Å²	143	108.5 Å²	108.5	62%	0.622	60%	0.603	S	S	*	*	H	α-helix	trans	-64.5	-38.6	176.2	-170.1	177.2	-179.2	179.9	0	112.2	A412 M413 V414 H420	A412-K416 WeakPolarHBondContact O-CB 3.4Å; A412-K416 PolarHBondContact O-N 3.29Å; M413-K416 PolarHBondContact O-N 3.42Å; V414-K416 VanDerWaalsContact C-N 3.34Å; V414-K416 PolarHBondContact O-N 2.97Å; K416-H420 PolarHBondContact O-CD2 3Å; K416-H420 PolarHBondContact O-N 2.96Å; K416-H420 VanDerWaalsContact O-N 3.12Å
417	L	85.7	Confident	77.7	Confident	116 Å²	116	110.1 Å²	110.1	61%	0.607	61%	0.613	S	S	*	*	H	α-helix	trans	-66.9	-45.3	176.3	-173.7	67.8	0	0	0	111.5	M413 V414 A415 L419 H420 V421	M413-L417 WeakPolarHBondContact O-CB 3.46Å; M413-L417 PolarHBondContact O-N 3.25Å; V414-L417 PolarHBondContact O-N 3.36Å; A415-L417 PolarHBondContact O-N 3.11Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 3.47Å; L417-H420 PolarHBondContact O-N 3.38Å; L417-V421 WeakPolarHBondContact O-CG2 3.37Å; L417-V421 PolarHBondContact O-N 2.94Å
418	L	79.3	Confident	75.1	Confident	109 Å²	109	112.5 Å²	112.5	57%	0.571	63%	0.625	S	S	*	*	H	α-helix	trans	-61.6	-41	177	-71.8	170.8	0	0	0	111.5	V414 A415 H420 V421 T422	V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.31Å; V414-L418 WeakPolarHBondContact O-CB 3.33Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.01Å; A415-L418 PolarHBondContact O-N 3.45Å; L418-H420 VanDerWaalsContact C-N 3.35Å; L418-H420 PolarHBondContact O-N 3.41Å; L418-V421 PolarHBondContact O-N 3.44Å; L418-T422 WeakPolarHBondContact O-CG2 3.36Å; L418-T422 PolarHBondContact O-N 3.37Å; L418-T422 PolarHBondContact O-OG1 2.97Å
419	L	78.5	Confident	72.7	Confident	122 Å²	122	112.3 Å²	112.3	64%	0.639	63%	0.631	S	S	*	*	H	α-helix	trans	-60.5	-44.4	175.1	-155	84	0	0	0	111.4	A415 L417 V421 T422 V423	A415-L419 WeakPolarHBondContact O-CB 3.47Å; A415-L419 PolarHBondContact O-N 2.92Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 3.47Å; L419-V421 VanDerWaalsContact C-N 3.31Å; L419-V421 PolarHBondContact O-N 3.24Å; L419-T422 PolarHBondContact O-N 3.25Å; L419-T422 PolarHBondContact O-OG1 3.45Å; L419-V423 WeakPolarHBondContact O-CG2 3.41Å; L419-V423 PolarHBondContact O-N 3.49Å
420	H	72.4	Confident	70.2	Confident	129 Å²	129	115.7 Å²	115.7	60%	0.597	65%	0.651	S	S	*	*	H	α-helix	trans	-65.4	-30.3	177.2	-97.3	-73.1	0	0	0	113.9	K416 L417 L418	K416-H420 PolarHBondContact O-CD2 3Å; K416-H420 PolarHBondContact O-N 2.96Å; K416-H420 VanDerWaalsContact O-N 3.12Å; L417-H420 PolarHBondContact O-N 3.38Å; L418-H420 VanDerWaalsContact C-N 3.35Å; L418-H420 PolarHBondContact O-N 3.41Å
421	V	70.2	Confident	67.4	Low	102 Å²	102	118.2 Å²	118.2	62%	0.618	67%	0.667	S	S	*	*	H	α-helix	trans	-75.7	-37.5	176.3	173.8	0	0	0	0	111	L417 L418 L419 V423	L417-V421 WeakPolarHBondContact O-CG2 3.37Å; L417-V421 PolarHBondContact O-N 2.94Å; L418-V421 PolarHBondContact O-N 3.44Å; L419-V421 VanDerWaalsContact C-N 3.31Å; L419-V421 PolarHBondContact O-N 3.24Å; V421-V423 VanDerWaalsContact C-N 3.32Å; V421-V423 PolarHBondContact O-N 3.41Å
422	T	66.4	Low	64.9	Low	107 Å²	107	119.7 Å²	119.7	66%	0.656	68%	0.681	S	S	*	*	H	α-helix	trans	-70.9	-22.3	-180	54.9	0	0	0	0	114.6	L418 L419	L418-T422 WeakPolarHBondContact O-CG2 3.36Å; L418-T422 PolarHBondContact O-N 3.37Å; L418-T422 PolarHBondContact O-OG1 2.97Å; L419-T422 PolarHBondContact O-N 3.25Å; L419-T422 PolarHBondContact O-OG1 3.45Å
423	V	62.8	Low	62.1	Low	116 Å²	116	120.4 Å²	120.4	70%	0.703	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-4.7	-176.5	178.8	0	0	0	0	112.9	L419 V421 T425	L419-V423 WeakPolarHBondContact O-CG2 3.41Å; L419-V423 PolarHBondContact O-N 3.49Å; V421-V423 VanDerWaalsContact C-N 3.32Å; V421-V423 PolarHBondContact O-N 3.41Å; V423-T425 PolarHBondContact O-N 2.89Å
424	K	50.3	Low	59.5	Low	176 Å²	176	118.6 Å²	118.6	77%	0.765	70%	0.695	S	S	*	*	S	Bend	trans	-102.4	74.2	-179.1	-127.3	175.9	-177.3	-179.8	0	113.2
425	T	48.2	Very low	56.7	Low	109 Å²	109	122.4 Å²	122.4	67%	0.669	71%	0.713	S	S	*	*			trans	67.4	142.3	151.9	43.8	0	0	0	0	121	V423	V423-T425 PolarHBondContact O-N 2.89Å
426	P	49.5	Very low	53.9	Low	128 Å²	128	124.9 Å²	124.9	83%	0.831	73%	0.727	S	S	*	*				-130.1	152.7	94.9	32.8	-20.4	0	0	0	115.9
427	N	46.9	Very low	51	Low	149 Å²	149	124.4 Å²	124.4	80%	0.797	74%	0.74	S	S	*	*			trans	-64.8	154.1	179.1	-65.6	-47.6	0	0	0	114.5
428	I	40	Very low	48.5	Very low	163 Å²	163	124 Å²	124	84%	0.836	75%	0.747	S	S	*	*			trans	-128.3	139.7	163.6	-64.7	177.2	0	0	0	108.4
429	P	40.9	Very low	46.2	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	76%	0.759	S	S	*	*			trans	-92	163	-155.8	36.1	-34.4	0	0	0	115.4
430	T	40.3	Very low	43.9	Very low	140 Å²	140	125.7 Å²	125.7	86%	0.859	76%	0.759	S	S	*	*			trans	-72.8	132.1	173.8	48	0	0	0	0	112.9
431	V	36.2	Very low	42	Very low	138 Å²	138	125.7 Å²	125.7	84%	0.836	77%	0.769	S	S	*	*			trans	-131.9	127.3	159.4	175	0	0	0	0	109.1
432	S	40.2	Very low	40.1	Very low	119 Å²	119	127.2 Å²	127.2	83%	0.832	78%	0.778	S	S	*	*			trans	-74	140.4	178	44.6	0	0	0	0	113.5
433	G	32.3	Very low	38.6	Very low	77 Å²	77	127.4 Å²	127.4	79%	0.794	78%	0.784	S	S	*	*			trans	-164.9	122	165.3	0	0	0	0	0	111
434	S	38.1	Very low	37.2	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	79%	0.788	S	S	*	*			trans	-64.4	143.2	172.6	52	0	0	0	0	111.5
435	D	32.4	Very low	36.7	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	79%	0.787	S	S	*	*				-175.7	141.6	119.1	-87.1	-15	0	0	0	111.5
436	S	31.9	Very low	36	Very low	108 Å²	108	127.1 Å²	127.1	76%	0.755	79%	0.793	S	S	*	*			trans	-67.9	142.5	-179.6	56.9	0	0	0	0	113
437	C	28.2	Very low	34.9	Very low	133 Å²	133	132.7 Å²	132.7	90%	0.899	80%	0.797	S	S	*	*			trans	-154.5	121.2	134.1	-97	0	0	0	0	110.4
438	S	34	Very low	34.4	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	80%	0.795	S	S	*	*			trans	-66.2	136.9	169.4	48.2	0	0	0	0	112.2
439	Q	31.5	Very low	34	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	79%	0.786	S	S	*	*				173.2	131.2	115.9	-98.8	178.9	9	0	0	114.1
440	S	29.7	Very low	33.6	Very low	91 Å²	91	132.8 Å²	132.8	64%	0.636	79%	0.79	S	S	*	*			trans	71.3	97	136.7	-42.4	0	0	0	0	121.4
441	T	32.9	Very low	33.1	Very low	130 Å²	130	136 Å²	136	80%	0.798	79%	0.787	S	S	*	*				30.7	120.2	127.5	58.5	0	0	0	0	119.7
442	V	30.4	Very low	33	Very low	134 Å²	134	140.2 Å²	140.2	81%	0.812	79%	0.788	S	S	*	*				-175.4	131.9	103.4	165.2	0	0	0	0	108.4	S444	V442-S444 PolarHBondContact O-N 3.44Å
443	S	33.8	Very low	32.6	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	79%	0.788	S	S	*	*			trans	-57.9	124	174.4	-179.9	0	0	0	0	111.5
444	S	34.3	Very low	32.5	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	78%	0.783	S	S	*	*			trans	-114.2	105.1	167.4	42	0	0	0	0	109.5	V442	V442-S444 PolarHBondContact O-N 3.44Å
445	E	39.4	Very low	32.4	Very low	159 Å²	159	143.6 Å²	143.6	74%	0.743	79%	0.791	S	S	*	*			trans	-63.9	145.8	161.6	-70.7	176.9	147.7	0	0	109.5	W447	E445-W447 PolarHBondContact O-N 3.42Å
446	P	32.9	Very low	32.3	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	79%	0.787	S	S	*	*			trans	-74.7	117.9	173.9	29.1	-30	0	0	0	109.9	I448	P446-I448 PolarHBondContact O-N 3.23Å
447	W	27.6	Very low	32.2	Very low	245 Å²	245	142.9 Å²	142.9	93%	0.928	79%	0.785	S	S	*	*			trans	-66.1	115.9	169.6	-65.2	82.9	0	0	0	109.7	E445 I449	E445-W447 PolarHBondContact O-N 3.42Å; W447-I449 PolarHBondContact O-N 3.49Å
448	I	34.9	Very low	32.2	Very low	145 Å²	145	144 Å²	144	74%	0.744	78%	0.781	S	S	*	*			trans	-75.7	111.2	166.3	-70.1	169.7	0	0	0	107.3	P446 L450	P446-I448 PolarHBondContact O-N 3.23Å; I448-L450 HydrophobicContact CG2-CD1 4.47Å; I448-L450 HydrophobicContact CG2-CG 4.26Å; I448-L450 PolarHBondContact O-N 3.12Å
449	I	33	Very low	32.1	Very low	128 Å²	128	148.2 Å²	148.2	66%	0.656	79%	0.787	S	S	*	*			trans	-77.9	102.1	167.1	-59.1	173.3	0	0	0	107.1	W447 Y451	W447-I449 PolarHBondContact O-N 3.49Å; I449-Y451 HydrophobicContact CG2-CD2 3.96Å; I449-Y451 HydrophobicContact CG2-CE2 3.88Å; I449-Y451 PolarHBondContact O-N 2.99Å
450	L	31	Very low	32	Very low	157 Å²	157	149.8 Å²	149.8	82%	0.822	79%	0.791	S	S	*	*			trans	-74.2	105.3	163.4	-83.5	137.5	0	0	0	108.2	I448 R452	I448-L450 HydrophobicContact CG2-CD1 4.47Å; I448-L450 HydrophobicContact CG2-CG 4.26Å; I448-L450 PolarHBondContact O-N 3.12Å; L450-R452 PolarHBondContact O-N 3.34Å
451	Y	30.3	Very low	32.1	Very low	207 Å²	207	153.8 Å²	153.8	81%	0.812	80%	0.796	S	S	*	*			trans	-68.9	115.3	165.1	-85.7	-90.3	0	0	0	108.9	I449	I449-Y451 HydrophobicContact CG2-CD2 3.96Å; I449-Y451 HydrophobicContact CG2-CE2 3.88Å; I449-Y451 PolarHBondContact O-N 2.99Å
452	R	34.4	Very low	31.9	Very low	227 Å²	227	157.3 Å²	157.3	86%	0.857	80%	0.801	S	S	*	*			trans	-79.8	117.7	161.1	-144.2	178.2	-168.9	170.7	1.9	106	L450 S454	L450-R452 PolarHBondContact O-N 3.34Å; R452-S454 PolarHBondContact O-N 3.39Å
453	P	31.8	Very low	31.9	Very low	126 Å²	126	157.7 Å²	157.7	82%	0.818	80%	0.797	S	S	*	*			trans	-75.6	96.2	176.9	28.3	-28.5	0	0	0	108.3
454	S	30.5	Very low	31.7	Very low	99 Å²	99	161.3 Å²	161.3	69%	0.692	80%	0.799	S	S	*	*			trans	-68.2	131.4	157	-61.4	0	0	0	0	108.1	R452 I456	R452-S454 PolarHBondContact O-N 3.39Å; S454-I456 PolarHBondContact O-N 3.32Å
455	T	36.8	Very low	31.5	Very low	145 Å²	145	162.2 Å²	162.2	89%	0.89	80%	0.795	S	S	*	*			trans	-53.4	101.3	174	37.4	0	0	0	0	111.1
456	I	29.6	Very low	31.2	Very low	143 Å²	143	163.1 Å²	163.1	73%	0.733	80%	0.799	S	S	*	*			trans	-93.1	100.7	162	-60.4	175.3	0	0	0	106.1	S454 L458	S454-I456 PolarHBondContact O-N 3.32Å; I456-L458 HydrophobicContact CG2-CG 4.03Å; I456-L458 PolarHBondContact O-N 3.28Å
457	S	28.8	Very low	31.1	Very low	103 Å²	103	165.9 Å²	165.9	72%	0.72	80%	0.801	S	S	*	*			trans	-72.3	94.1	170.1	-153.8	0	0	0	0	108.5	F459	S457-F459 PolarHBondContact O-N 2.88Å
458	L	28.2	Very low	31.1	Very low	155 Å²	155	157.6 Å²	157.6	81%	0.812	79%	0.792	S	S	*	*			trans	-80.7	99.4	171.1	-85.1	162	0	0	0	108.8	I456 K460	I456-L458 HydrophobicContact CG2-CG 4.03Å; I456-L458 PolarHBondContact O-N 3.28Å; L458-K460 PolarHBondContact O-N 3.31Å
459	F	33.1	Very low	30.9	Very low	197 Å²	197	157.9 Å²	157.9	86%	0.864	80%	0.795	S	S	*	*			trans	-54.7	107.4	167.2	-84.3	-89.3	0	0	0	110.6	S457 K461	S457-F459 PolarHBondContact O-N 2.88Å; F459-K461 PolarHBondContact O-N 3.01Å
460	K	28.2	Very low	31	Very low	208 Å²	208	160 Å²	160	90%	0.904	81%	0.807	S	S	*	*			trans	-87.6	81.6	165.7	-154.9	175.2	-173.2	177.9	0	109.1	L458 K462	L458-K460 PolarHBondContact O-N 3.31Å; K460-K462 PolarHBondContact O-N 3.39Å
461	K	31.5	Very low	30.9	Very low	175 Å²	175	158 Å²	158	76%	0.761	81%	0.806	S	S	*	*			trans	-62.2	115.7	170.7	-169.9	174	-177.2	177	0	109	F459 L463	F459-K461 PolarHBondContact O-N 3.01Å; K461-L463 VanDerWaalsContact C-N 3.34Å; K461-L463 PolarHBondContact O-N 3.21Å
462	K	29.3	Very low	31.4	Very low	205 Å²	205	153.7 Å²	153.7	89%	0.891	80%	0.803	S	S	*	*			trans	-69.9	91.6	169.2	-161.4	178.4	-174.7	179.9	0	107.9	K460 K464	K460-K462 PolarHBondContact O-N 3.39Å; K462-K464 PolarHBondContact O-N 3.45Å; K462-K464 VanDerWaalsContact O-N 3.17Å
463	L	30.5	Very low	31.2	Very low	141 Å²	141	151 Å²	151	74%	0.738	80%	0.804	S	S	*	*			trans	-66	108.4	168.8	-97.9	138.4	0	0	0	108.5	K461 N465	K461-L463 VanDerWaalsContact C-N 3.34Å; K461-L463 PolarHBondContact O-N 3.21Å; L463-N465 PolarHBondContact O-N 3.02Å
464	K	30.3	Very low	31.3	Very low	188 Å²	188	151.3 Å²	151.3	82%	0.817	80%	0.804	S	S	*	*			trans	-74.2	112.4	165.2	-160.6	173.3	-175.9	-179.4	0	106.5	K462 H466	K462-K464 PolarHBondContact O-N 3.45Å; K462-K464 VanDerWaalsContact O-N 3.17Å; K464-H466 PolarHBondContact O-N 3.21Å
465	N	29.2	Very low	31.4	Very low	133 Å²	133	149.6 Å²	149.6	71%	0.711	80%	0.802	S	S	*	*			trans	-55.6	115.4	176.1	-78.9	-21.3	0	0	0	110.6	L463	L463-N465 PolarHBondContact O-N 3.02Å
466	H	34	Very low	31.2	Very low	178 Å²	178	155.4 Å²	155.4	82%	0.824	82%	0.819	S	S	*	*			trans	-116.7	115.3	144.6	-92	-78.8	0	0	0	106.7	K464 G468	K464-H466 PolarHBondContact O-N 3.21Å; H466-G468 PolarHBondContact O-N 3.47Å
467	H	30.1	Very low	31.3	Very low	179 Å²	179	156.1 Å²	156.1	83%	0.829	82%	0.823	S	S	*	*			trans	-58.3	128.6	168.9	-86.7	34.3	0	0	0	109.5
468	G	28.2	Very low	31.4	Very low	71 Å²	71	158.8 Å²	158.8	73%	0.732	83%	0.828	S	S	*	*			trans	-161.9	88.9	167.1	0	0	0	0	0	106.1	H466 L470	H466-G468 PolarHBondContact O-N 3.47Å; G468-L470 PolarHBondContact O-N 3.44Å
469	D	31.4	Very low	31.6	Very low	150 Å²	150	159.1 Å²	159.1	80%	0.802	83%	0.829	S	S	*	*			trans	-48.2	131.4	173.3	-76.2	-48.1	0	0	0	110.7
470	L	33.4	Very low	31.5	Very low	174 Å²	174	156.8 Å²	156.8	91%	0.911	83%	0.827	S	S	*	*			trans	-175.2	97.4	139.5	-94.1	153.2	0	0	0	107.7	G468	G468-L470 PolarHBondContact O-N 3.44Å
471	S	30.6	Very low	31.7	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	82%	0.822	S	S	*	*			trans	-64.6	147.5	170.6	-66.9	0	0	0	0	111.5
472	P	39.7	Very low	31.7	Very low	116 Å²	116	152.2 Å²	152.2	75%	0.753	83%	0.826	S	S	*	*			trans	-88.6	150.8	-178.8	36.2	-32.2	0	0	0	110.8
473	L	31.2	Very low	31.9	Very low	170 Å²	170	148.4 Å²	148.4	89%	0.89	82%	0.822	S	S	*	*			trans	-166.3	147	151	-103.7	174.3	0	0	0	111.9
474	V	32.5	Very low	32	Very low	134 Å²	134	149 Å²	149	81%	0.812	83%	0.828	S	S	*	*			trans	90.6	114.2	164.5	-157.5	0	0	0	0	116.8
475	G	32.9	Very low	32.1	Very low	63 Å²	63	145.8 Å²	145.8	65%	0.649	83%	0.829	S	S	*	*			trans	-91.8	-179.7	176.9	0	0	0	0	0	114.8
476	H	32.6	Very low	32.4	Very low	267 Å²	267	146.9 Å²	146.9	100%	1.236	84%	0.84	S	S	*	*			trans	-160.7	0	141.1	-107.6	-60.9	0	0	0	108.4

Retrieved 476 of 476 residues in 151 ms (Link to these results)

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