A0A077ZLG0_TRITR Loading...

EGF CA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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	32.2	Very low	28.7	Very low	78 Å²	78	113.7 Å²	113.7	38%	0.384	61%	0.611	S	S	.	*				0	131.5	0	-179.5	171.1	169.9	0	0	108.4	I3 I23 Y24 W47	M1-I3 HydrophobicContact CE-CD1 3.83Å; M1-I3 HydrophobicContact CE-CG1 3.8Å; M1-I23 HydrophobicContact CE-CB 3.96Å; M1-I23 HydrophobicContact CE-CD1 3.77Å; M1-I23 HydrophobicContact CE-CG1 3.55Å; M1-I23 HydrophobicContact CE-CG2 3.48Å; M1-I23 VanDerWaalsContact CE-CG2 3.48Å; M1-I23 HydrophobicContact CG-CG2 4.07Å; M1-I23 HydrophobicContact SD-CG2 3.71Å; M1-Y24 WeakPolarHBondContact CA-O 3.3Å; M1-W47 HydrophobicContact CB-CH2 4.29Å; M1-W47 HydrophobicContact SD-CH2 4.3Å; M1-W47 HydrophobicContact SD-CZ3 3.81Å
2	I	29.2	Very low	28.5	Very low	80 Å²	80	115.8 Å²	115.8	41%	0.41	63%	0.631	S	S	.	*			trans	-123.1	142.8	172.4	-58.9	175.1	0	0	0	104.7	T4 Y24	I2-T4 HydrophobicContact CG2-CG2 3.98Å; I2-Y24 WeakPolarHBondContact O-CD2 3.38Å
3	I	30.7	Very low	28.3	Very low	48 Å²	48	114.1 Å²	114.1	25%	0.246	63%	0.626	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	123.3	172.6	-57.7	177.9	0	0	0	107	M1 A21 V217	M1-I3 HydrophobicContact CE-CD1 3.83Å; M1-I3 HydrophobicContact CE-CG1 3.8Å; I3-A21 HydrophobicContact CG2-CB 3.51Å; I3-V217 HydrophobicContact CB-CB 4.37Å; I3-V217 HydrophobicContact CB-CG1 4.5Å; I3-V217 HydrophobicContact CD1-CG1 4.12Å; I3-V217 HydrophobicContact CD1-CG2 4.35Å; I3-V217 HydrophobicContact CG1-CG1 4.3Å
4	T	27.7	Very low	28.7	Very low	63 Å²	63	118.8 Å²	118.8	39%	0.387	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.5	139.4	178.5	49.7	0	0	0	0	111.4	I2	I2-T4 HydrophobicContact CG2-CG2 3.98Å
5	K	29.1	Very low	29.3	Very low	158 Å²	158	117.1 Å²	117.1	69%	0.687	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.4	130.5	175.8	-172.9	176.1	-176.7	175	0	109.8	K7	K5-K7 PolarHBondContact O-N 3.12Å
6	A	29.1	Very low	30.1	Very low	73 Å²	73	116.6 Å²	116.6	60%	0.603	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.3	171.7	0	0	0	0	0	110.4
7	K	30.2	Very low	30.5	Very low	189 Å²	189	114.8 Å²	114.8	82%	0.822	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-96.7	117.7	170.6	-72	-177.1	177	-179.3	0	108.3	K5	K5-K7 PolarHBondContact O-N 3.12Å
8	N	27.7	Very low	30.9	Very low	170 Å²	170	113.5 Å²	113.5	91%	0.909	60%	0.602	S	S	*	*			trans	106	122.3	164.5	-54.1	-19.4	0	0	0	117.3
9	G	28.9	Very low	31.4	Very low	66 Å²	66	110.3 Å²	110.3	68%	0.68	58%	0.584	S	S	*	*			trans	150.3	110.8	154.9	0	0	0	0	0	113.7
10	P	27.2	Very low	31.6	Very low	121 Å²	121	109.1 Å²	109.1	79%	0.786	58%	0.578	S	S	*	*			trans	-94	109.1	175.6	33.5	-23.8	0	0	0	110.2
11	Y	23.9	Very low	32.1	Very low	205 Å²	205	104.1 Å²	104.1	80%	0.804	55%	0.552	S	S	*	*			trans	-135.6	127.7	157	-69.2	-78	0	0	0	108.7	T13	Y11-T13 PolarHBondContact O-N 3.28Å
12	T	26.2	Very low	32.4	Very low	139 Å²	139	101.8 Å²	101.8	85%	0.853	54%	0.543	S	S	*	.			trans	-79.7	94	177.9	48	0	0	0	0	110.1
13	T	26	Very low	33	Very low	93 Å²	93	98.3 Å²	98.3	57%	0.571	53%	0.525	S	S	*	.	S	Bend	trans	-148.6	-179.3	166.3	35.6	0	0	0	0	108.8	Y11 D15	Y11-T13 PolarHBondContact O-N 3.28Å; T13-D15 PolarHBondContact O-N 2.95Å; T13-D15 PolarHBondContact OG1-OD2 2.72Å
14	E	33.5	Very low	33.7	Very low	180 Å²	180	98.9 Å²	98.9	84%	0.841	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-48.8	-1.3	-178.6	-70.4	177.2	153.6	0	0	116.2	N16	E14-N16 PolarHBondContact O-N 3.05Å
15	D	38.4	Very low	34.5	Very low	93 Å²	93	98.1 Å²	98.1	50%	0.497	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-65	-9.8	176.8	-60	-58.1	0	0	0	115.6	T13 Q17	T13-D15 PolarHBondContact O-N 2.95Å; T13-D15 PolarHBondContact OG1-OD2 2.72Å; D15-Q17 PolarHBondContact O-N 2.86Å
16	N	42.1	Very low	35.3	Very low	110 Å²	110	95.8 Å²	95.8	59%	0.588	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-74.4	-9.6	176.7	-86.8	-19.7	0	0	0	114.4	E14 K206	E14-N16 PolarHBondContact O-N 3.05Å; N16-K206 WeakPolarHBondContact O-CD 3.33Å
17	Q	37.2	Very low	36.1	Very low	86 Å²	86	94.7 Å²	94.7	40%	0.402	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-84.7	-16.2	177.5	-74.5	-175.9	-16.6	0	0	113.6	D15 L205 K206	D15-Q17 PolarHBondContact O-N 2.86Å; Q17-L205 CarbonylContact O-C 3.54Å; Q17-L205 WeakPolarHBondContact O-CA 2.95Å; Q17-L205 WeakPolarHBondContact O-CD2 3.45Å; Q17-K206 PolarHBondContact O-N 3.47Å
18	Y	36.4	Very low	36.9	Very low	91 Å²	91	93.8 Å²	93.8	36%	0.357	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128	-171.5	-57	-94	0	0	0	111.9	K203 L204 L205	Y18-K203 HydrophobicContact CD1-CB 3.77Å; Y18-K203 HydrophobicContact CG-CB 4.06Å; Y18-K203 HydrophobicContact CG-CD 4.35Å; Y18-L204 CarbonylContact C-O 3.53Å; Y18-L204 VanDerWaalsContact C-O 3.3Å; Y18-L204 WeakPolarHBondContact CA-O 3.44Å; Y18-L205 HydrophobicContact CD1-CB 4.45Å; Y18-L205 HydrophobicContact CD1-CD2 3.61Å; Y18-L205 HydrophobicContact CD1-CG 3.75Å; Y18-L205 HydrophobicContact CE1-CD1 4.37Å; Y18-L205 HydrophobicContact CE1-CD2 3.14Å; Y18-L205 HydrophobicContact CE1-CG 3.45Å; Y18-L205 VanDerWaalsContact CE1-CG 3.45Å; Y18-L205 HydrophobicContact CE2-CD2 4.17Å; Y18-L205 HydrophobicContact CG-CD2 4.31Å; Y18-L205 VanDerWaalsContact CZ-CD2 3.44Å
19	N	40.6	Very low	37.7	Very low	52 Å²	52	88 Å²	88	28%	0.278	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.7	158.5	-70.7	-45.1	0	0	0	109.7	L204	N19-L204 HydrophobicContact CB-CB 4.35Å; N19-L204 PolarHBondContact N-O 2.9Å; N19-L204 PolarHBondContact O-N 2.96Å
20	L	36.8	Very low	38.3	Very low	86 Å²	86	87.2 Å²	87.2	45%	0.45	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	165.3	-77.6	155.9	0	0	0	108.9	L201 K203	L20-L201 HydrophobicContact CB-CD2 4.49Å; L20-L201 HydrophobicContact CD2-CB 4.13Å; L20-L201 HydrophobicContact CD2-CD2 4.42Å; L20-K203 HydrophobicContact CD2-CG 4.17Å
21	A	41.3	Very low	39.2	Very low	5 Å²	5	89.7 Å²	89.7	4%	0.041	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.1	173.9	0	0	0	0	0	109.7	I3 L201 I202 L204	I3-A21 HydrophobicContact CG2-CB 3.51Å; A21-L201 WeakPolarHBondContact O-CA 3.46Å; A21-I202 HydrophobicContact CB-CD1 4.13Å; A21-I202 HydrophobicContact CB-CG1 3.69Å; A21-I202 PolarHBondContact N-O 3.33Å; A21-I202 WeakPolarHBondContact O-CG1 3.4Å; A21-I202 PolarHBondContact O-N 3.41Å; A21-L204 HydrophobicContact CB-CD1 3.4Å; A21-L204 HydrophobicContact CB-CG 3.94Å
22	V	39.1	Very low	40.1	Very low	30 Å²	30	83.9 Å²	83.9	18%	0.182	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.1	175.5	-174.7	0	0	0	0	108.5	Y24 P198 A200 L201	V22-Y24 HydrophobicContact CB-CD2 4.35Å; V22-Y24 HydrophobicContact CB-CE2 3.75Å; V22-Y24 HydrophobicContact CG1-CD2 3.93Å; V22-Y24 HydrophobicContact CG1-CE1 4.33Å; V22-Y24 HydrophobicContact CG1-CE2 3.52Å; V22-P198 HydrophobicContact CG1-CB 3.33Å; V22-A200 CarbonylContact C-O 3.52Å; V22-L201 HydrophobicContact CB-CD2 4.47Å; V22-L201 HydrophobicContact CG2-CD2 3.63Å
23	I	41.8	Very low	40.9	Very low	6 Å²	6	85.2 Å²	85.2	3%	0.031	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.2	168.5	-58.1	-173.9	0	0	0	108.4	M1 F25 L199 A200 I202	M1-I23 HydrophobicContact CE-CB 3.96Å; M1-I23 HydrophobicContact CE-CD1 3.77Å; M1-I23 HydrophobicContact CE-CG1 3.55Å; M1-I23 HydrophobicContact CE-CG2 3.48Å; M1-I23 VanDerWaalsContact CE-CG2 3.48Å; M1-I23 HydrophobicContact CG-CG2 4.07Å; M1-I23 HydrophobicContact SD-CG2 3.71Å; I23-F25 HydrophobicContact CB-CE2 4.12Å; I23-F25 HydrophobicContact CG2-CD2 3.67Å; I23-F25 HydrophobicContact CG2-CE2 3.27Å; I23-F25 HydrophobicContact CG2-CZ 3.84Å; I23-L199 PolarHBondContact O-N 3.46Å; I23-A200 HydrophobicContact CB-CB 4.26Å; I23-A200 PolarHBondContact N-O 3.23Å; I23-A200 PolarHBondContact O-N 3Å; I23-I202 HydrophobicContact CD1-CB 4.48Å; I23-I202 HydrophobicContact CD1-CD1 4.04Å; I23-I202 HydrophobicContact CD1-CG1 4.2Å; I23-I202 HydrophobicContact CD1-CG2 3.51Å; I23-I202 HydrophobicContact CG1-CD1 4.11Å; I23-I202 HydrophobicContact CG1-CG1 4.06Å; I23-I202 HydrophobicContact CG1-CG2 4.13Å
24	Y	44.1	Very low	41.5	Very low	60 Å²	60	84.7 Å²	84.7	24%	0.235	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.5	171.1	-59.6	-106.4	0	0	0	111.1	M1 I2 V22 L197 P198	M1-Y24 WeakPolarHBondContact CA-O 3.3Å; I2-Y24 WeakPolarHBondContact O-CD2 3.38Å; V22-Y24 HydrophobicContact CB-CD2 4.35Å; V22-Y24 HydrophobicContact CB-CE2 3.75Å; V22-Y24 HydrophobicContact CG1-CD2 3.93Å; V22-Y24 HydrophobicContact CG1-CE1 4.33Å; V22-Y24 HydrophobicContact CG1-CE2 3.52Å; Y24-L197 CarbonylContact C-O 3.59Å; Y24-L197 WeakPolarHBondContact CA-O 3Å; Y24-P198 HydrophobicContact CD1-CB 3.82Å; Y24-P198 HydrophobicContact CD1-CG 4.33Å; Y24-P198 HydrophobicContact CE1-CB 3.64Å; Y24-P198 HydrophobicContact CE1-CG 4.03Å; Y24-P198 HydrophobicContact CG-CB 4.46Å
25	F	44.3	Very low	41.6	Very low	48 Å²	48	81.4 Å²	81.4	21%	0.211	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	153.8	169.3	-47.2	-124.8	0	0	0	111	I23 I51 I89 P196 L197 L199	I23-F25 HydrophobicContact CB-CE2 4.12Å; I23-F25 HydrophobicContact CG2-CD2 3.67Å; I23-F25 HydrophobicContact CG2-CE2 3.27Å; I23-F25 HydrophobicContact CG2-CZ 3.84Å; F25-I51 HydrophobicContact CD1-CD1 4.07Å; F25-I51 HydrophobicContact CE1-CD1 4.14Å; F25-I51 HydrophobicContact CG-CD1 4.27Å; F25-I51 HydrophobicContact CZ-CD1 4.36Å; F25-I89 HydrophobicContact CE1-CD1 3.91Å; F25-I89 HydrophobicContact CZ-CD1 3.62Å; F25-P196 CarbonylContact O-C 3.51Å; F25-P196 WeakPolarHBondContact O-CA 3.07Å; F25-L197 PolarHBondContact N-O 2.92Å; F25-L197 PolarHBondContact O-N 3.05Å; F25-L199 HydrophobicContact CB-CD1 3.26Å; F25-L199 HydrophobicContact CD2-CB 3.7Å; F25-L199 HydrophobicContact CD2-CD1 3.36Å; F25-L199 HydrophobicContact CD2-CG 4.11Å; F25-L199 HydrophobicContact CE2-CB 4.04Å; F25-L199 HydrophobicContact CE2-CD1 4.36Å; F25-L199 HydrophobicContact CG-CD1 3.55Å
26	Y	47.2	Very low	41.3	Very low	109 Å²	109	83.4 Å²	83.4	43%	0.427	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.7	166.4	-62.6	-80.5	0	0	0	107.7	R28 P196	Y26-R28 PolarHBondContact O-N 2.92Å; Y26-R28 VanDerWaalsContact O-N 3.16Å; Y26-P196 HydrophobicContact CD1-CB 4.09Å; Y26-P196 HydrophobicContact CE1-CB 3.72Å; Y26-P196 HydrophobicContact CE1-CG 4.05Å
27	V	44.5	Very low	41	Very low	49 Å²	49	80.9 Å²	80.9	30%	0.297	40%	0.396	S	S	.	.			trans	-74.7	106.2	169.8	179.7	0	0	0	0	107.1	L197 L199	V27-L197 HydrophobicContact CB-CD1 4.43Å; V27-L197 HydrophobicContact CG2-CD1 3.73Å; V27-L197 HydrophobicContact CG2-CG 4.5Å; V27-L199 HydrophobicContact CG2-CD1 4.24Å; V27-L199 HydrophobicContact CG2-CD2 4.49Å
28	R	48.7	Very low	40.7	Very low	170 Å²	170	82.5 Å²	82.5	64%	0.642	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-100.3	135.9	171.8	-69.3	-171.1	179.9	-174.8	1	109.2	Y26	Y26-R28 PolarHBondContact O-N 2.92Å; Y26-R28 VanDerWaalsContact O-N 3.16Å
29	P	44.4	Very low	40.7	Very low	50 Å²	50	79.8 Å²	79.8	33%	0.325	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-58.3	153.5	170	24.5	-32	0	0	0	110.5	M31 Q50	P29-M31 PolarHBondContact O-N 2.04Å; P29-Q50 PolarHBondContact O-NE2 3.44Å; P29-Q50 VanDerWaalsContact O-NE2 3.13Å
30	P	40.4	Very low	40.4	Very low	49 Å²	49	79.6 Å²	79.6	32%	0.318	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-48.1	134.3	169.5	-24.3	32.7	0	0	0	110.9	V32 F37	P30-V32 PolarHBondContact O-N 2.8Å; P30-F37 HydrophobicContact CB-CE2 3.87Å; P30-F37 HydrophobicContact CB-CZ 3.97Å; P30-F37 HydrophobicContact CG-CE2 3.91Å; P30-F37 HydrophobicContact CG-CZ 4.41Å
31	M	46.7	Very low	40.3	Very low	173 Å²	173	80 Å²	80	85%	0.852	40%	0.399	S	S	*	.	S	Bend	trans	-63.3	-14.2	-179.4	-76.5	-166.7	156.9	0	0	113	P29	P29-M31 PolarHBondContact O-N 2.04Å
32	V	42.8	Very low	39.9	Very low	83 Å²	83	83.2 Å²	83.2	50%	0.503	42%	0.416	S	S	.	.	S	Bend	trans	-141.3	148.9	-173.5	-168	0	0	0	0	109.2	P30 R34	P30-V32 PolarHBondContact O-N 2.8Å; V32-R34 HydrophobicContact CB-CG 3.94Å; V32-R34 HydrophobicContact CG1-CG 3.85Å; V32-R34 PolarHBondContact O-N 2.81Å
33	N	42.8	Very low	39.8	Very low	167 Å²	167	85.3 Å²	85.3	89%	0.893	42%	0.424	S	S	*	.			trans	-63.9	47.4	165.7	-85.7	-9.5	0	0	0	111.8
34	R	39	Very low	39.4	Very low	81 Å²	81	87.1 Å²	87.1	31%	0.306	44%	0.436	S	S	.	.			trans	-83.7	113.2	171	-73.2	-176.8	-179.7	173.3	-9.5	106.4	V32 F37 D70 D75	V32-R34 HydrophobicContact CB-CG 3.94Å; V32-R34 HydrophobicContact CG1-CG 3.85Å; V32-R34 PolarHBondContact O-N 2.81Å; R34-F37 HydrophobicContact CB-CE1 4.28Å; R34-F37 HydrophobicContact CB-CE2 4.16Å; R34-F37 HydrophobicContact CB-CZ 3.76Å; R34-F37 VanDerWaalsContact O-CD2 3.27Å; R34-F37 WeakPolarHBondContact O-CD2 3.47Å; R34-F37 WeakPolarHBondContact O-CE2 3.05Å; R34-D70 WeakPolarHBondContact CD-OD2 3Å; R34-D70 IonicContact CZ-OD2 3.42Å; R34-D70 IonicContact NE-OD2 3.55Å; R34-D70 IonicContact NH1-OD2 2.65Å; R34-D70 PolarHBondContact NH1-OD2 2.93Å; R34-D75 IonicContact CZ-OD2 3.76Å; R34-D75 IonicContact NH1-OD2 2.72Å; R34-D75 PolarHBondContact NH1-OD2 2.8Å; R34-D75 IonicContact NH2-OD2 3.91Å
35	T	34.7	Very low	39.3	Very low	112 Å²	112	84.9 Å²	84.9	69%	0.687	43%	0.428	S	S	*	.			trans	-98.4	8.7	178.2	51.3	0	0	0	0	112.3
36	Q	33.3	Very low	39	Very low	135 Å²	135	84.8 Å²	84.8	63%	0.631	43%	0.427	S	S	*	.			trans	-106.6	54.9	-178.2	-67.9	179.3	-20.8	0	0	111.1	D71	Q36-D71 PolarHBondContact O-N 2.98Å
37	F	34.5	Very low	38.4	Very low	56 Å²	56	86.6 Å²	86.6	25%	0.246	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.4	173.6	-66	-59.2	0	0	0	109.9	P30 R34 I68 V69 D70	P30-F37 HydrophobicContact CB-CE2 3.87Å; P30-F37 HydrophobicContact CB-CZ 3.97Å; P30-F37 HydrophobicContact CG-CE2 3.91Å; P30-F37 HydrophobicContact CG-CZ 4.41Å; R34-F37 HydrophobicContact CB-CE1 4.28Å; R34-F37 HydrophobicContact CB-CE2 4.16Å; R34-F37 HydrophobicContact CB-CZ 3.76Å; R34-F37 VanDerWaalsContact O-CD2 3.27Å; R34-F37 WeakPolarHBondContact O-CD2 3.47Å; R34-F37 WeakPolarHBondContact O-CE2 3.05Å; F37-I68 HydrophobicContact CB-CG2 3.83Å; F37-I68 HydrophobicContact CD1-CG2 3.09Å; F37-I68 HydrophobicContact CD2-CG2 4.03Å; F37-I68 HydrophobicContact CE1-CG2 3.52Å; F37-I68 HydrophobicContact CE2-CG2 4.35Å; F37-I68 HydrophobicContact CG-CG2 3.38Å; F37-I68 HydrophobicContact CZ-CG2 4.13Å; F37-V69 CarbonylContact C-O 3.51Å; F37-V69 WeakPolarHBondContact CA-O 3.37Å; F37-D70 HydrophobicContact CD1-CB 4.42Å; F37-D70 HydrophobicContact CE1-CB 4.23Å
38	M	31.6	Very low	38.3	Very low	120 Å²	120	91.5 Å²	91.5	59%	0.591	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	154.3	163	-69.3	-172.2	63.7	0	0	108.5	V69	M38-V69 PolarHBondContact N-O 2.93Å; M38-V69 WeakPolarHBondContact O-CA 3.34Å; M38-V69 WeakPolarHBondContact O-CB 3.42Å; M38-V69 PolarHBondContact O-N 3.1Å; M38-V69 VanDerWaalsContact O-O 3.07Å
39	C	35.4	Very low	38.1	Very low	35 Å²	35	85.5 Å²	85.5	24%	0.236	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.6	-177.8	-60.3	0	0	0	0	110.3	R66	C39-R66 HydrophobicContact CB-CB 4.44Å; C39-R66 HydrophobicContact CB-CG 3.83Å; C39-R66 PolarHBondContact SG-NE 2.7Å; C39-R66 PolarHBondContact SG-NH2 3.43Å
40	D	36	Very low	38	Very low	48 Å²	48	85.8 Å²	85.8	26%	0.257	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.4	-176.6	-162.5	-15.1	0	0	0	109.5	N42 E43 V69	D40-N42 VanDerWaalsContact OD1-CB 3.26Å; D40-N42 WeakPolarHBondContact OD1-CB 3.38Å; D40-N42 PolarHBondContact OD1-N 3.41Å; D40-N42 PolarHBondContact OD1-ND2 2.61Å; D40-E43 HydrophobicContact CB-CB 4.12Å; D40-E43 HydrophobicContact CB-CG 3.92Å; D40-E43 WeakPolarHBondContact OD2-CG 3.07Å; D40-V69 HydrophobicContact CB-CG2 4.37Å
41	I	33.9	Very low	38.3	Very low	93 Å²	93	84.8 Å²	84.8	48%	0.477	42%	0.421	S	S	.	.	S	Bend	trans	-93	-19.7	176	-52.3	173.1	0	0	0	110	I54 Y155	I41-I54 HydrophobicContact CD1-CD1 4.44Å; I41-Y155 HydrophobicContact CD1-CD2 4.42Å; I41-Y155 HydrophobicContact CD1-CE2 4.35Å
42	N	33.7	Very low	38.1	Very low	73 Å²	73	79.1 Å²	79.1	39%	0.39	39%	0.392	S	S	.	.	S	Bend	trans	-79.6	-24.1	179.7	-51.3	-61	0	0	0	112	D40	D40-N42 VanDerWaalsContact OD1-CB 3.26Å; D40-N42 WeakPolarHBondContact OD1-CB 3.38Å; D40-N42 PolarHBondContact OD1-N 3.41Å; D40-N42 PolarHBondContact OD1-ND2 2.61Å
43	E	36	Very low	38	Very low	74 Å²	74	76.3 Å²	76.3	35%	0.346	38%	0.375	S	S	.	.	S	Bend	trans	-81.5	123.1	179.6	-73.8	-99.7	159.5	0	0	109.4	D40 R67	D40-E43 HydrophobicContact CB-CB 4.12Å; D40-E43 HydrophobicContact CB-CG 3.92Å; D40-E43 WeakPolarHBondContact OD2-CG 3.07Å; E43-R67 IonicContact OE2-CZ 2.91Å; E43-R67 IonicContact OE2-NH1 2.76Å; E43-R67 PolarHBondContact OE2-NH1 2.76Å
44	P	34	Very low	37.9	Very low	45 Å²	45	69.1 Å²	69.1	29%	0.292	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-56.5	143.1	171.8	12.4	-19.8	0	0	0	111.4	Y46 Y88	P44-Y46 HydrophobicContact CG-CE1 4.24Å; P44-Y46 WeakPolarHBondContact O-CD2 3.09Å; P44-Y46 WeakPolarHBondContact O-CE2 3.38Å; P44-Y46 PolarHBondContact O-N 3.35Å; P44-Y88 HydrophobicContact CB-CD1 3.12Å; P44-Y88 HydrophobicContact CB-CE1 3.48Å; P44-Y88 VanDerWaalsContact CB-CE1 3.48Å; P44-Y88 HydrophobicContact CB-CG 4.02Å; P44-Y88 HydrophobicContact CG-CD1 3.52Å; P44-Y88 HydrophobicContact CG-CE1 3.26Å
45	I	40.8	Very low	37.7	Very low	12 Å²	12	66.5 Å²	66.5	6%	0.062	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-77.5	118.5	172.1	-63.6	166.9	0	0	0	108.2	I51 R67 L91	I45-I51 HydrophobicContact CB-CG2 4.46Å; I45-I51 HydrophobicContact CD1-CG2 3.94Å; I45-I51 HydrophobicContact CG1-CG2 4.15Å; I45-I51 HydrophobicContact CG2-CG2 3.47Å; I45-I51 VanDerWaalsContact CG2-CG2 3.47Å; I45-R67 HydrophobicContact CG1-CB 4.31Å; I45-L91 HydrophobicContact CD1-CD1 3.77Å
46	Y	39.5	Very low	37.7	Very low	47 Å²	47	62.5 Å²	62.5	18%	0.184	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-90	160.6	179.1	-55	-80.5	0	0	0	112.3	P44 Q48 E49 A86 Y88	P44-Y46 HydrophobicContact CG-CE1 4.24Å; P44-Y46 WeakPolarHBondContact O-CD2 3.09Å; P44-Y46 WeakPolarHBondContact O-CE2 3.38Å; P44-Y46 PolarHBondContact O-N 3.35Å; Y46-Q48 PolarHBondContact O-N 2.93Å; Y46-E49 VanDerWaalsContact CD2-CD 3.48Å; Y46-E49 WeakPolarHBondContact CD2-OE1 3.38Å; Y46-E49 WeakPolarHBondContact CD2-OE2 3.37Å; Y46-E49 PolarHBondContact N-OE2 2.81Å; Y46-E49 WeakPolarHBondContact O-CB 3.22Å; Y46-E49 WeakPolarHBondContact O-CG 3.39Å; Y46-E49 PolarHBondContact O-N 2.04Å; Y46-A86 HydrophobicContact CD1-CB 3.17Å; Y46-A86 HydrophobicContact CE1-CB 3.12Å; Y46-A86 HydrophobicContact CG-CB 4.49Å; Y46-Y88 HydrophobicContact CD1-CD1 4.37Å; Y46-Y88 HydrophobicContact CD1-CE1 4.16Å; Y46-Y88 HydrophobicContact CE1-CD1 4.17Å; Y46-Y88 AromaticContact CE1-CE1 3.54Å; Y46-Y88 HydrophobicContact CE1-CE1 3.54Å
47	W	34.8	Very low	37.7	Very low	146 Å²	146	57.2 Å²	57.2	55%	0.553	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	135	173.8	-177.5	-104.9	0	0	0	111.6	M1 E49	M1-W47 HydrophobicContact CB-CH2 4.29Å; M1-W47 HydrophobicContact SD-CH2 4.3Å; M1-W47 HydrophobicContact SD-CZ3 3.81Å; W47-E49 VanDerWaalsContact C-N 3.26Å; W47-E49 PolarHBondContact O-N 3.24Å
48	Q	41.8	Very low	37.6	Very low	153 Å²	153	58 Å²	58	72%	0.715	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	5.1	-175.4	-62.1	173.3	-11.2	0	0	116.7	Y46	Y46-Q48 PolarHBondContact O-N 2.93Å
49	E	44.7	Very low	37.5	Very low	44 Å²	44	59.2 Å²	59.2	21%	0.206	30%	0.299	C	S	.	.			trans	-74.2	154.1	176.3	-66.9	-162.2	137.8	0	0	113.7	Y46 W47 R67	Y46-E49 VanDerWaalsContact CD2-CD 3.48Å; Y46-E49 WeakPolarHBondContact CD2-OE1 3.38Å; Y46-E49 WeakPolarHBondContact CD2-OE2 3.37Å; Y46-E49 PolarHBondContact N-OE2 2.81Å; Y46-E49 WeakPolarHBondContact O-CB 3.22Å; Y46-E49 WeakPolarHBondContact O-CG 3.39Å; Y46-E49 PolarHBondContact O-N 2.04Å; W47-E49 VanDerWaalsContact C-N 3.26Å; W47-E49 PolarHBondContact O-N 3.24Å; E49-R67 IonicContact OE1-CZ 3.43Å; E49-R67 IonicContact OE1-NE 2.95Å; E49-R67 PolarHBondContact OE1-NE 2.85Å; E49-R67 IonicContact OE1-NH2 2.8Å; E49-R67 PolarHBondContact OE1-NH2 3.19Å; E49-R67 VanDerWaalsContact OE2-CD 3.24Å; E49-R67 WeakPolarHBondContact OE2-CD 3.46Å; E49-R67 WeakPolarHBondContact OE2-CG 3.48Å; E49-R67 IonicContact OE2-CZ 3.9Å; E49-R67 IonicContact OE2-NE 3.13Å; E49-R67 PolarHBondContact OE2-NE 2.97Å
50	Q	42.4	Very low	37.6	Very low	56 Å²	56	64.1 Å²	64.1	26%	0.262	32%	0.323	S	S	.	.			trans	-81	127.1	172.5	-54.5	-162.3	-51.7	0	0	109.2	P29 I68	P29-Q50 PolarHBondContact O-NE2 3.44Å; P29-Q50 VanDerWaalsContact O-NE2 3.13Å; Q50-I68 HydrophobicContact CB-CB 4.15Å; Q50-I68 HydrophobicContact CB-CD1 3.8Å; Q50-I68 HydrophobicContact CB-CG1 4.42Å; Q50-I68 WeakPolarHBondContact O-CB 3.48Å; Q50-I68 PolarHBondContact O-N 3.04Å
51	I	45.4	Very low	37.6	Very low	28 Å²	28	66.2 Å²	66.2	14%	0.144	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.7	177.1	60.2	173.8	0	0	0	110.4	F25 I45 Y65 R66 L199	F25-I51 HydrophobicContact CD1-CD1 4.07Å; F25-I51 HydrophobicContact CE1-CD1 4.14Å; F25-I51 HydrophobicContact CG-CD1 4.27Å; F25-I51 HydrophobicContact CZ-CD1 4.36Å; I45-I51 HydrophobicContact CB-CG2 4.46Å; I45-I51 HydrophobicContact CD1-CG2 3.94Å; I45-I51 HydrophobicContact CG1-CG2 4.15Å; I45-I51 HydrophobicContact CG2-CG2 3.47Å; I45-I51 VanDerWaalsContact CG2-CG2 3.47Å; I51-Y65 HydrophobicContact CD1-CD1 4.07Å; I51-Y65 HydrophobicContact CD1-CG 4.23Å; I51-R66 CarbonylContact C-O 3.57Å; I51-R66 WeakPolarHBondContact CA-O 3.23Å; I51-L199 HydrophobicContact CD1-CD1 4.29Å
52	M	42.9	Very low	37.6	Very low	53 Å²	53	65.6 Å²	65.6	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.8	172.2	-163.2	175	81	0	0	110.2	Y65 R66 I68 L182	M52-Y65 CarbonylContact O-C 3.6Å; M52-Y65 VanDerWaalsContact O-CA 3.3Å; M52-Y65 WeakPolarHBondContact O-CA 3.2Å; M52-R66 HydrophobicContact CB-CG 4.27Å; M52-R66 VanDerWaalsContact CE-NE 3.35Å; M52-R66 PolarHBondContact N-O 2.91Å; M52-R66 PolarHBondContact O-N 2.97Å; M52-I68 HydrophobicContact CB-CD1 4.32Å; M52-I68 HydrophobicContact CB-CG1 4.33Å; M52-L182 HydrophobicContact CG-CD2 3.87Å; M52-L182 HydrophobicContact SD-CD2 3.89Å
53	N	41.4	Very low	37.7	Very low	25 Å²	25	63 Å²	63	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.3	172.2	66.3	-54.9	0	0	0	111.1	C63 I64 Y65 Y187	N53-C63 HydrophobicContact CB-CB 4.21Å; N53-I64 CarbonylContact C-O 3.48Å; N53-I64 VanDerWaalsContact CA-O 3.3Å; N53-I64 WeakPolarHBondContact CA-O 3.39Å; N53-Y65 HydrophobicContact CB-CD1 4.1Å; N53-Y65 HydrophobicContact CB-CE1 3.96Å; N53-Y187 WeakPolarHBondContact CB-OH 3.46Å; N53-Y187 PolarHBondContact ND2-OH 3.01Å; N53-Y187 PolarHBondContact OD1-OH 3.22Å
54	I	39.5	Very low	37.9	Very low	16 Å²	16	61.8 Å²	61.8	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-47.1	171.9	-65.3	164.9	0	0	0	110.2	I41 I64 R66 Y165	I41-I54 HydrophobicContact CD1-CD1 4.44Å; I54-I64 HydrophobicContact CB-CB 4.3Å; I54-I64 HydrophobicContact CB-CG2 4.4Å; I54-I64 HydrophobicContact CD1-CG2 3.98Å; I54-I64 PolarHBondContact N-O 3.46Å; I54-R66 HydrophobicContact CD1-CB 3.77Å; I54-R66 HydrophobicContact CD1-CG 4.34Å; I54-R66 HydrophobicContact CG1-CB 4.06Å; I54-R66 HydrophobicContact CG1-CG 4.09Å; I54-Y165 WeakPolarHBondContact O-CE1 3.13Å; I54-Y165 PolarHBondContact O-OH 3.06Å
55	D	36	Very low	38.3	Very low	26 Å²	26	60.4 Å²	60.4	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.9	-176.5	-172.6	13.9	0	0	0	108.5	C63 I64 I164	D55-C63 CarbonylContact O-C 3.57Å; D55-C63 WeakPolarHBondContact O-CA 3.49Å; D55-C63 WeakPolarHBondContact O-CB 3.27Å; D55-I64 HydrophobicContact CB-CD1 4.36Å; D55-I64 PolarHBondContact O-N 3.17Å; D55-I164 WeakPolarHBondContact CB-O 3.3Å
56	C	34.9	Very low	38.3	Very low	27 Å²	27	62.2 Å²	62.2	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.6	174.3	-70.3	0	0	0	0	107.4	C63 Y187	C56-C63 VanDerWaalsContact CA-SG 3.52Å; C56-C63 HydrophobicContact CB-CB 4Å; C56-C63 WeakPolarHBondContact CB-SG 3.38Å; C56-C63 WeakPolarHBondContact SG-CB 3.41Å; C56-C63 CovalentContact SG-SG 2.04Å; C56-C63 PolarHBondContact SG-SG 2.72Å; C56-Y187 PolarHBondContact SG-OH 3.09Å
57	G	33	Very low	38.5	Very low	24 Å²	24	60.6 Å²	60.6	25%	0.247	30%	0.303	C	S	.	.			trans	-57.7	171.1	175.6	0	0	0	0	0	112.6	F59 N62	G57-F59 PolarHBondContact O-N 3.42Å; G57-N62 PolarHBondContact N-O 3.28Å
58	P	32	Very low	38.8	Very low	72 Å²	72	55 Å²	55	47%	0.468	28%	0.284	S	S	.	.	S	Bend	trans	-66.6	-6.7	-177.4	28.8	-36.3	0	0	0	114.6
59	F	28.9	Very low	38.9	Very low	147 Å²	147	49.5 Å²	49.5	65%	0.645	26%	0.26	S	S	*	.	S	Bend	trans	-106.8	116.8	171.4	-53.9	-73.5	0	0	0	106.1	G57 N61 N62	G57-F59 PolarHBondContact O-N 3.42Å; F59-N61 PolarHBondContact O-N 3.18Å; F59-N62 PolarHBondContact O-N 3.18Å
60	D	39.2	Very low	38.9	Very low	137 Å²	137	48.6 Å²	48.6	73%	0.733	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	-15.7	-170	-96.5	-23.7	0	0	0	117.3
61	N	35.1	Very low	38.9	Very low	92 Å²	92	50.6 Å²	50.6	49%	0.492	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.2	-170.4	-60.8	-18.4	0	0	0	114.8	F59	F59-N61 PolarHBondContact O-N 3.18Å
62	N	32.8	Very low	39	Very low	80 Å²	80	50.7 Å²	50.7	43%	0.428	27%	0.273	S	S	.	.			trans	-115.9	72.5	-176.4	-70.9	5	0	0	0	111.5	G57 F59	G57-N62 PolarHBondContact N-O 3.28Å; F59-N62 PolarHBondContact O-N 3.18Å
63	C	37.4	Very low	39.1	Very low	19 Å²	19	55.7 Å²	55.7	13%	0.128	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.6	173.3	-41.3	0	0	0	0	113.2	N53 D55 C56 Y65	N53-C63 HydrophobicContact CB-CB 4.21Å; D55-C63 CarbonylContact O-C 3.57Å; D55-C63 WeakPolarHBondContact O-CA 3.49Å; D55-C63 WeakPolarHBondContact O-CB 3.27Å; C56-C63 VanDerWaalsContact CA-SG 3.52Å; C56-C63 HydrophobicContact CB-CB 4Å; C56-C63 WeakPolarHBondContact CB-SG 3.38Å; C56-C63 WeakPolarHBondContact SG-CB 3.41Å; C56-C63 CovalentContact SG-SG 2.04Å; C56-C63 PolarHBondContact SG-SG 2.72Å; C63-Y65 HydrophobicContact CB-CE1 4.04Å; C63-Y65 HydrophobicContact CB-CE2 3.76Å; C63-Y65 VanDerWaalsContact CB-CZ 3.49Å; C63-Y65 WeakPolarHBondContact CB-OH 3.23Å; C63-Y65 WeakPolarHBondContact O-CD2 3.39Å; C63-Y65 WeakPolarHBondContact O-CE2 3.38Å
64	I	39.9	Very low	39.2	Very low	48 Å²	48	62.1 Å²	62.1	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.7	165.1	-52.7	171.5	0	0	0	107.4	N53 I54 D55 A94	N53-I64 CarbonylContact C-O 3.48Å; N53-I64 VanDerWaalsContact CA-O 3.3Å; N53-I64 WeakPolarHBondContact CA-O 3.39Å; I54-I64 HydrophobicContact CB-CB 4.3Å; I54-I64 HydrophobicContact CB-CG2 4.4Å; I54-I64 HydrophobicContact CD1-CG2 3.98Å; I54-I64 PolarHBondContact N-O 3.46Å; D55-I64 HydrophobicContact CB-CD1 4.36Å; D55-I64 PolarHBondContact O-N 3.17Å; I64-A94 HydrophobicContact CD1-CB 3.5Å; I64-A94 VanDerWaalsContact CD1-CB 3.5Å; I64-A94 HydrophobicContact CG1-CB 4.02Å
65	Y	42	Very low	39.4	Very low	16 Å²	16	63.2 Å²	63.2	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.2	179.5	-57.4	-86.9	0	0	0	112.1	I51 M52 N53 C63 L91 L199	I51-Y65 HydrophobicContact CD1-CD1 4.07Å; I51-Y65 HydrophobicContact CD1-CG 4.23Å; M52-Y65 CarbonylContact O-C 3.6Å; M52-Y65 VanDerWaalsContact O-CA 3.3Å; M52-Y65 WeakPolarHBondContact O-CA 3.2Å; N53-Y65 HydrophobicContact CB-CD1 4.1Å; N53-Y65 HydrophobicContact CB-CE1 3.96Å; C63-Y65 HydrophobicContact CB-CE1 4.04Å; C63-Y65 HydrophobicContact CB-CE2 3.76Å; C63-Y65 VanDerWaalsContact CB-CZ 3.49Å; C63-Y65 WeakPolarHBondContact CB-OH 3.23Å; C63-Y65 WeakPolarHBondContact O-CD2 3.39Å; C63-Y65 WeakPolarHBondContact O-CE2 3.38Å; Y65-L91 HydrophobicContact CD2-CD2 4.19Å; Y65-L91 WeakPolarHBondContact O-CD1 3.23Å; Y65-L199 HydrophobicContact CD1-CD2 4.36Å; Y65-L199 HydrophobicContact CE1-CB 4.17Å; Y65-L199 HydrophobicContact CE1-CD2 3.31Å; Y65-L199 HydrophobicContact CE1-CG 4.25Å; Y65-L199 HydrophobicContact CE2-CB 3.99Å; Y65-L199 WeakPolarHBondContact CE2-O 3.49Å; Y65-L199 VanDerWaalsContact CZ-CD2 3.41Å; Y65-L199 WeakPolarHBondContact OH-CA 3.21Å; Y65-L199 WeakPolarHBondContact OH-CD2 3.44Å; Y65-L199 PolarHBondContact OH-O 2.99Å
66	R	41.3	Very low	39.7	Very low	50 Å²	50	66.2 Å²	66.2	19%	0.189	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.3	175.8	72	-168.8	-164.7	168.9	5	111.6	C39 I51 M52 I54	C39-R66 HydrophobicContact CB-CB 4.44Å; C39-R66 HydrophobicContact CB-CG 3.83Å; C39-R66 PolarHBondContact SG-NE 2.7Å; C39-R66 PolarHBondContact SG-NH2 3.43Å; I51-R66 CarbonylContact C-O 3.57Å; I51-R66 WeakPolarHBondContact CA-O 3.23Å; M52-R66 HydrophobicContact CB-CG 4.27Å; M52-R66 VanDerWaalsContact CE-NE 3.35Å; M52-R66 PolarHBondContact N-O 2.91Å; M52-R66 PolarHBondContact O-N 2.97Å; I54-R66 HydrophobicContact CD1-CB 3.77Å; I54-R66 HydrophobicContact CD1-CG 4.34Å; I54-R66 HydrophobicContact CG1-CB 4.06Å; I54-R66 HydrophobicContact CG1-CG 4.09Å
67	R	42.3	Very low	40	Very low	13 Å²	13	71.6 Å²	71.6	5%	0.049	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.8	170.2	-175.7	-178.7	-174.5	-134	-11.1	110.6	E43 I45 E49 V69	E43-R67 IonicContact OE2-CZ 2.91Å; E43-R67 IonicContact OE2-NH1 2.76Å; E43-R67 PolarHBondContact OE2-NH1 2.76Å; I45-R67 HydrophobicContact CG1-CB 4.31Å; E49-R67 IonicContact OE1-CZ 3.43Å; E49-R67 IonicContact OE1-NE 2.95Å; E49-R67 PolarHBondContact OE1-NE 2.85Å; E49-R67 IonicContact OE1-NH2 2.8Å; E49-R67 PolarHBondContact OE1-NH2 3.19Å; E49-R67 VanDerWaalsContact OE2-CD 3.24Å; E49-R67 WeakPolarHBondContact OE2-CD 3.46Å; E49-R67 WeakPolarHBondContact OE2-CG 3.48Å; E49-R67 IonicContact OE2-CZ 3.9Å; E49-R67 IonicContact OE2-NE 3.13Å; E49-R67 PolarHBondContact OE2-NE 2.97Å; R67-V69 HydrophobicContact CG-CG2 4.23Å
68	I	43.1	Very low	40.4	Very low	29 Å²	29	79.8 Å²	79.8	15%	0.149	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	166.9	-70.3	171.5	0	0	0	108	F37 Q50 M52	F37-I68 HydrophobicContact CB-CG2 3.83Å; F37-I68 HydrophobicContact CD1-CG2 3.09Å; F37-I68 HydrophobicContact CD2-CG2 4.03Å; F37-I68 HydrophobicContact CE1-CG2 3.52Å; F37-I68 HydrophobicContact CE2-CG2 4.35Å; F37-I68 HydrophobicContact CG-CG2 3.38Å; F37-I68 HydrophobicContact CZ-CG2 4.13Å; Q50-I68 HydrophobicContact CB-CB 4.15Å; Q50-I68 HydrophobicContact CB-CD1 3.8Å; Q50-I68 HydrophobicContact CB-CG1 4.42Å; Q50-I68 WeakPolarHBondContact O-CB 3.48Å; Q50-I68 PolarHBondContact O-N 3.04Å; M52-I68 HydrophobicContact CB-CD1 4.32Å; M52-I68 HydrophobicContact CB-CG1 4.33Å
69	V	43.7	Very low	40.8	Very low	37 Å²	37	80 Å²	80	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	175	-175.2	0	0	0	0	108.6	F37 M38 D40 R67	F37-V69 CarbonylContact C-O 3.51Å; F37-V69 WeakPolarHBondContact CA-O 3.37Å; M38-V69 PolarHBondContact N-O 2.93Å; M38-V69 WeakPolarHBondContact O-CA 3.34Å; M38-V69 WeakPolarHBondContact O-CB 3.42Å; M38-V69 PolarHBondContact O-N 3.1Å; M38-V69 VanDerWaalsContact O-O 3.07Å; D40-V69 HydrophobicContact CB-CG2 4.37Å; R67-V69 HydrophobicContact CG-CG2 4.23Å
70	D	43.6	Very low	41	Very low	26 Å²	26	77 Å²	77	14%	0.139	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.9	172.7	-157.8	-44.9	0	0	0	109.4	R34 F37 S72	R34-D70 WeakPolarHBondContact CD-OD2 3Å; R34-D70 IonicContact CZ-OD2 3.42Å; R34-D70 IonicContact NE-OD2 3.55Å; R34-D70 IonicContact NH1-OD2 2.65Å; R34-D70 PolarHBondContact NH1-OD2 2.93Å; F37-D70 HydrophobicContact CD1-CB 4.42Å; F37-D70 HydrophobicContact CE1-CB 4.23Å; D70-S72 VanDerWaalsContact CG-OG 3.32Å; D70-S72 PolarHBondContact O-N 3.32Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.05Å; D70-S72 PolarHBondContact OD1-N 3.38Å; D70-S72 PolarHBondContact OD1-OG 2.87Å
71	D	43.1	Very low	40.7	Very low	97 Å²	97	80.3 Å²	80.3	52%	0.519	39%	0.388	S	S	.	.			trans	-81.7	-0	178.4	-162	26.4	0	0	0	112.4	Q36 Q73	Q36-D71 PolarHBondContact O-N 2.98Å; D71-Q73 PolarHBondContact O-N 3.13Å
72	S	46.1	Very low	40.3	Very low	31 Å²	31	85.2 Å²	85.2	22%	0.217	40%	0.4	C	S	.	.	S	Bend	trans	-72.4	114.2	169.5	64.9	0	0	0	0	109.7	D70 E74 D75	D70-S72 VanDerWaalsContact CG-OG 3.32Å; D70-S72 PolarHBondContact O-N 3.32Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.05Å; D70-S72 PolarHBondContact OD1-N 3.38Å; D70-S72 PolarHBondContact OD1-OG 2.87Å; S72-E74 PolarHBondContact O-N 3.11Å; S72-D75 PolarHBondContact O-N 2.8Å
73	Q	45.2	Very low	40	Very low	158 Å²	158	83.4 Å²	83.4	74%	0.738	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-12.3	-179.7	-146.9	86.8	42.1	0	0	115	D71 I76	D71-Q73 PolarHBondContact O-N 3.13Å; Q73-I76 HydrophobicContact CG-CD1 4.28Å
74	E	44.7	Very low	39.5	Very low	159 Å²	159	91.4 Å²	91.4	74%	0.743	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.5	-178.9	-73.8	-172.2	157.1	0	0	114.6	S72	S72-E74 PolarHBondContact O-N 3.11Å
75	D	44.1	Very low	38.8	Very low	40 Å²	40	96 Å²	96	21%	0.214	45%	0.454	C	S	.	.	S	Bend	trans	-91.1	-5.1	-175.1	-92.9	-44.9	0	0	0	115.1	R34 S72 D77 Q79	R34-D75 IonicContact CZ-OD2 3.76Å; R34-D75 IonicContact NH1-OD2 2.72Å; R34-D75 PolarHBondContact NH1-OD2 2.8Å; R34-D75 IonicContact NH2-OD2 3.91Å; S72-D75 PolarHBondContact O-N 2.8Å; D75-D77 PolarHBondContact O-N 3.11Å; D75-Q79 WeakPolarHBondContact O-CB 3.46Å; D75-Q79 VanDerWaalsContact O-CG 3.27Å; D75-Q79 WeakPolarHBondContact O-CG 3.16Å; D75-Q79 PolarHBondContact O-N 3.16Å; D75-Q79 VanDerWaalsContact O-N 3.13Å
76	I	42.3	Very low	37.9	Very low	89 Å²	89	96.1 Å²	96.1	46%	0.456	46%	0.458	S	S	.	.	H	α-helix	trans	-62	-46.4	-179.7	-58.7	174.6	0	0	0	110.7	Q73 R78 Q79 V80	Q73-I76 HydrophobicContact CG-CD1 4.28Å; I76-R78 PolarHBondContact O-N 2.92Å; I76-Q79 PolarHBondContact O-N 3.44Å; I76-V80 HydrophobicContact CG2-CG2 4.37Å; I76-V80 VanDerWaalsContact O-CG2 3.24Å; I76-V80 WeakPolarHBondContact O-CG2 2.99Å; I76-V80 PolarHBondContact O-N 3.49Å; I76-V80 VanDerWaalsContact O-N 3.15Å
77	D	40.2	Very low	37.2	Very low	139 Å²	139	97.9 Å²	97.9	74%	0.743	47%	0.468	S	S	*	.	H	α-helix	trans	-72.2	-32.8	-174.1	-81.5	-16.5	0	0	0	113.4	D75	D75-D77 PolarHBondContact O-N 3.11Å
78	R	41.5	Very low	36.4	Very low	197 Å²	197	103.1 Å²	103.1	74%	0.743	49%	0.489	S	S	*	.	H	α-helix	trans	-73.5	-32.5	174.5	-88.2	-173.3	176.5	-172.2	1.2	111.9	I76 W82	I76-R78 PolarHBondContact O-N 2.92Å; R78-W82 PolarHBondContact O-NE1 3.46Å
79	Q	41	Very low	35.6	Very low	75 Å²	75	103.7 Å²	103.7	35%	0.35	49%	0.492	S	S	.	.	H	α-helix	trans	-77.2	-34.7	-178.8	-72.8	-177.1	7.8	0	0	113.6	D75 I76 Y81 W82 A83	D75-Q79 WeakPolarHBondContact O-CB 3.46Å; D75-Q79 VanDerWaalsContact O-CG 3.27Å; D75-Q79 WeakPolarHBondContact O-CG 3.16Å; D75-Q79 PolarHBondContact O-N 3.16Å; D75-Q79 VanDerWaalsContact O-N 3.13Å; I76-Q79 PolarHBondContact O-N 3.44Å; Q79-Y81 PolarHBondContact O-N 3.1Å; Q79-W82 PolarHBondContact O-N 2.81Å; Q79-A83 PolarHBondContact O-N 3.27Å; Q79-A83 VanDerWaalsContact O-N 3.08Å
80	V	32.1	Very low	34.7	Very low	86 Å²	86	107.4 Å²	107.4	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-30.2	-179.5	173.4	0	0	0	0	112.5	I76 W82 A83	I76-V80 HydrophobicContact CG2-CG2 4.37Å; I76-V80 VanDerWaalsContact O-CG2 3.24Å; I76-V80 WeakPolarHBondContact O-CG2 2.99Å; I76-V80 PolarHBondContact O-N 3.49Å; I76-V80 VanDerWaalsContact O-N 3.15Å; V80-W82 VanDerWaalsContact C-N 3.28Å; V80-W82 PolarHBondContact O-N 2.03Å; V80-A83 PolarHBondContact O-N 2.6Å
81	Y	32.6	Very low	34	Very low	205 Å²	205	109 Å²	109	80%	0.804	52%	0.523	S	S	*	.	H	α-helix	trans	-67.9	-25.6	177.3	-117.3	-85.3	0	0	0	113.6	Q79	Q79-Y81 PolarHBondContact O-N 3.1Å
82	W	27.1	Very low	33.1	Very low	196 Å²	196	110.8 Å²	110.8	74%	0.742	53%	0.532	S	S	*	.	H	α-helix	trans	-99.1	-19.7	-178.9	-54	68.5	0	0	0	111.7	R78 Q79 V80 K84	R78-W82 PolarHBondContact O-NE1 3.46Å; Q79-W82 PolarHBondContact O-N 2.81Å; V80-W82 VanDerWaalsContact C-N 3.28Å; V80-W82 PolarHBondContact O-N 2.03Å; W82-K84 PolarHBondContact O-N 2.78Å
83	A	26.5	Very low	32.2	Very low	42 Å²	42	111.1 Å²	111.1	35%	0.347	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-19	176.5	0	0	0	0	0	114.3	Q79 V80 N85 A86	Q79-A83 PolarHBondContact O-N 3.27Å; Q79-A83 VanDerWaalsContact O-N 3.08Å; V80-A83 PolarHBondContact O-N 2.6Å; A83-N85 PolarHBondContact O-N 3.49Å; A83-A86 WeakPolarHBondContact O-CB 3.35Å
84	K	26.4	Very low	31.4	Very low	187 Å²	187	104.7 Å²	104.7	81%	0.813	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.5	-179.4	-85.3	-172.8	176.8	179.1	0	114.5	W82	W82-K84 PolarHBondContact O-N 2.78Å
85	N	26	Very low	30.6	Very low	145 Å²	145	103.5 Å²	103.5	78%	0.775	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	40.2	179.9	-68.8	-8.2	0	0	0	111.4	A83 E87	A83-N85 PolarHBondContact O-N 3.49Å; N85-E87 PolarHBondContact O-N 2.84Å
86	A	24.1	Very low	29.9	Very low	17 Å²	17	103.7 Å²	103.7	14%	0.14	50%	0.504	C	S	.	.			trans	-69	110.3	-174.4	0	0	0	0	0	114.3	Y46 A83 Y88	Y46-A86 HydrophobicContact CD1-CB 3.17Å; Y46-A86 HydrophobicContact CE1-CB 3.12Å; Y46-A86 HydrophobicContact CG-CB 4.49Å; A83-A86 WeakPolarHBondContact O-CB 3.35Å; A86-Y88 HydrophobicContact CB-CD1 4.39Å; A86-Y88 HydrophobicContact CB-CE1 3.82Å
87	E	25.9	Very low	29.1	Very low	87 Å²	87	101.2 Å²	101.2	41%	0.407	49%	0.493	S	S	.	.			trans	-80.2	123.4	164.5	-63.6	179.9	175.2	0	0	109.7	N85 F247	N85-E87 PolarHBondContact O-N 2.84Å; E87-F247 HydrophobicContact CB-CE1 3.87Å; E87-F247 HydrophobicContact CB-CZ 4.28Å; E87-F247 HydrophobicContact CG-CE1 3.9Å; E87-F247 HydrophobicContact CG-CZ 4.35Å
88	Y	25.3	Very low	28.5	Very low	123 Å²	123	98.7 Å²	98.7	48%	0.482	48%	0.475	S	S	.	.			trans	-99.5	138.2	-176.8	-54.1	-56.6	0	0	0	111.4	P44 Y46 A86	P44-Y88 HydrophobicContact CB-CD1 3.12Å; P44-Y88 HydrophobicContact CB-CE1 3.48Å; P44-Y88 VanDerWaalsContact CB-CE1 3.48Å; P44-Y88 HydrophobicContact CB-CG 4.02Å; P44-Y88 HydrophobicContact CG-CD1 3.52Å; P44-Y88 HydrophobicContact CG-CE1 3.26Å; Y46-Y88 HydrophobicContact CD1-CD1 4.37Å; Y46-Y88 HydrophobicContact CD1-CE1 4.16Å; Y46-Y88 HydrophobicContact CE1-CD1 4.17Å; Y46-Y88 AromaticContact CE1-CE1 3.54Å; Y46-Y88 HydrophobicContact CE1-CE1 3.54Å; A86-Y88 HydrophobicContact CB-CD1 4.39Å; A86-Y88 HydrophobicContact CB-CE1 3.82Å
89	I	26.4	Very low	27.7	Very low	41 Å²	41	98.9 Å²	98.9	21%	0.21	48%	0.476	C	S	.	.			trans	-107.3	115.1	170.5	-64.8	155.1	0	0	0	109.1	F25 L91	F25-I89 HydrophobicContact CE1-CD1 3.91Å; F25-I89 HydrophobicContact CZ-CD1 3.62Å; I89-L91 HydrophobicContact CG2-CD2 4.36Å; I89-L91 PolarHBondContact O-N 2.96Å
90	V	25.5	Very low	27	Very low	116 Å²	116	99.7 Å²	99.7	70%	0.703	49%	0.486	S	S	*	.			trans	-79	117.1	171.5	-179.6	0	0	0	0	108.4
91	L	27.7	Very low	26.8	Very low	60 Å²	60	102.1 Å²	102.1	31%	0.314	50%	0.496	S	S	.	.			trans	-85.7	108.7	172.4	-64.9	171.5	0	0	0	108.7	I45 Y65 I89	I45-L91 HydrophobicContact CD1-CD1 3.77Å; Y65-L91 HydrophobicContact CD2-CD2 4.19Å; Y65-L91 WeakPolarHBondContact O-CD1 3.23Å; I89-L91 HydrophobicContact CG2-CD2 4.36Å; I89-L91 PolarHBondContact O-N 2.96Å
92	D	24.8	Very low	26.8	Very low	133 Å²	133	102.7 Å²	102.7	71%	0.711	50%	0.497	S	S	*	.			trans	-85.3	126.1	179.2	-163.3	5.2	0	0	0	111.5
93	G	26.3	Very low	27.1	Very low	39 Å²	39	99 Å²	99	40%	0.402	50%	0.496	S	S	.	.			trans	56.2	97.2	151.4	0	0	0	0	0	119.8	R95	G93-R95 PolarHBondContact O-N 2.83Å
94	A	28.7	Very low	27.5	Very low	22 Å²	22	101 Å²	101	18%	0.182	50%	0.5	C	S	.	.			trans	-63.7	129.7	158	0	0	0	0	0	111.3	I64	I64-A94 HydrophobicContact CD1-CB 3.5Å; I64-A94 VanDerWaalsContact CD1-CB 3.5Å; I64-A94 HydrophobicContact CG1-CB 4.02Å
95	R	27.1	Very low	27.9	Very low	135 Å²	135	101.1 Å²	101.1	51%	0.509	50%	0.5	S	S	.	.			trans	-91.5	100.2	174.5	-174.5	177.9	-179.6	172.4	7.7	110.5	G93 V97 F141 P143	G93-R95 PolarHBondContact O-N 2.83Å; R95-V97 HydrophobicContact CG-CG2 4.28Å; R95-F141 PolarHBondContact NH2-O 3.14Å; R95-P143 HydrophobicContact CG-CB 3.85Å
96	I	29.6	Very low	28.6	Very low	44 Å²	44	95.5 Å²	95.5	23%	0.226	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-89.6	130.6	172.4	-53.4	-177	0	0	0	108.9	F144 F146 I164	I96-F144 WeakPolarHBondContact O-CD2 3.43Å; I96-F146 HydrophobicContact CB-CE2 4.01Å; I96-F146 HydrophobicContact CD1-CD2 4.36Å; I96-F146 HydrophobicContact CD1-CE2 3.44Å; I96-F146 VanDerWaalsContact CD1-CE2 3.44Å; I96-F146 HydrophobicContact CD1-CZ 3.83Å; I96-F146 HydrophobicContact CG1-CE2 3.72Å; I96-F146 HydrophobicContact CG1-CZ 4.5Å; I96-I164 HydrophobicContact CD1-CD1 3.86Å; I96-I164 HydrophobicContact CD1-CG2 4.38Å; I96-I164 HydrophobicContact CG1-CG2 4.5Å
97	V	26	Very low	29.4	Very low	37 Å²	37	99.8 Å²	99.8	22%	0.224	50%	0.501	C	S	.	.			trans	-114.4	116.2	-178.2	-177.1	0	0	0	0	109	R95 H140	R95-V97 HydrophobicContact CG-CG2 4.28Å; V97-H140 WeakPolarHBondContact CG1-O 3.41Å
98	K	27.6	Very low	30.4	Very low	85 Å²	85	100 Å²	100	37%	0.37	50%	0.504	S	S	.	.			trans	-109.9	133.9	174.1	-173.5	177.1	177.8	-179.9	0	110.4	L114 F144	K98-L114 HydrophobicContact CD-CD1 4.11Å; K98-F144 HydrophobicContact CB-CE2 4.11Å
99	R	24	Very low	31.6	Very low	201 Å²	201	98.5 Å²	98.5	76%	0.758	51%	0.505	S	S	*	.			trans	-84.4	119.2	170.8	-78.7	-172.7	168.5	166.9	-2.2	110.5	H140	R99-H140 HydrophobicContact CG-CB 4.37Å
100	T	27.7	Very low	32.6	Very low	92 Å²	92	99 Å²	99	56%	0.564	50%	0.504	S	S	*	.			trans	-140.5	125.5	162	39.2	0	0	0	0	110.5
101	N	27.7	Very low	33.6	Very low	138 Å²	138	100.5 Å²	100.5	74%	0.738	50%	0.503	S	S	*	.			trans	-93.8	98.3	177	-89.2	-44.2	0	0	0	110.5	H140	N101-H140 VanDerWaalsContact CG-NE2 3.35Å; N101-H140 PolarHBondContact OD1-CE1 3.05Å; N101-H140 PolarHBondContact OD1-NE2 2.87Å
102	R	32	Very low	34.4	Very low	216 Å²	216	99.6 Å²	99.6	82%	0.815	50%	0.5	S	S	*	.			trans	-150.7	126.1	153.7	-83.1	-160.6	175.1	170.8	-2.1	111
103	V	32.9	Very low	35.2	Very low	119 Å²	119	95.6 Å²	95.6	72%	0.721	48%	0.483	S	S	*	.			trans	-95.5	120.5	171.3	179.4	0	0	0	0	107.8
104	I	36.7	Very low	35.9	Very low	84 Å²	84	94.4 Å²	94.4	43%	0.431	47%	0.467	S	S	.	.			trans	-137.8	130.5	176.2	-55.2	177.3	0	0	0	110	Y110	I104-Y110 HydrophobicContact CB-CE1 4.39Å; I104-Y110 WeakPolarHBondContact CB-OH 3.32Å; I104-Y110 HydrophobicContact CD1-CE1 4.37Å; I104-Y110 PolarHBondContact O-OH 3.33Å
105	K	32.9	Very low	36.3	Very low	189 Å²	189	97.9 Å²	97.9	82%	0.822	48%	0.482	S	S	*	.			trans	-84.3	134	-177.8	-66.8	-179.7	175.2	-178.4	0	110.9
106	G	41.1	Very low	36.9	Very low	27 Å²	27	92.7 Å²	92.7	28%	0.278	46%	0.464	S	S	.	.	S	Bend	trans	121.9	158.5	171.5	0	0	0	0	0	115	I108	G106-I108 PolarHBondContact O-N 2.92Å
107	T	42.2	Very low	37.1	Very low	107 Å²	107	93.3 Å²	93.3	66%	0.656	47%	0.472	S	S	*	.			trans	-76	91.5	169.4	25.7	0	0	0	0	109.3	F133	T107-F133 HydrophobicContact CG2-CD1 4.22Å
108	I	46.7	Very low	37.4	Very low	91 Å²	91	93.8 Å²	93.8	47%	0.467	47%	0.473	S	S	.	.			trans	-125.4	133.1	174.6	-44.9	176.4	0	0	0	107	G106 Y110	G106-I108 PolarHBondContact O-N 2.92Å; I108-Y110 WeakPolarHBondContact O-CD2 3.24Å; I108-Y110 WeakPolarHBondContact O-CE2 3.4Å; I108-Y110 PolarHBondContact O-N 2.04Å
109	N	50.2	Low	37.3	Very low	93 Å²	93	91 Å²	91	50%	0.497	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	113.4	167.2	-65.5	-40.1	0	0	0	107.5	K131	N109-K131 WeakPolarHBondContact OD1-CG 3.42Å
110	Y	46.3	Very low	37.6	Very low	51 Å²	51	89.3 Å²	89.3	20%	0.2	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.9	177.2	-68.5	-81.9	0	0	0	109.8	I104 I108 V112 T129 V130 A132	I104-Y110 HydrophobicContact CB-CE1 4.39Å; I104-Y110 WeakPolarHBondContact CB-OH 3.32Å; I104-Y110 HydrophobicContact CD1-CE1 4.37Å; I104-Y110 PolarHBondContact O-OH 3.33Å; I108-Y110 WeakPolarHBondContact O-CD2 3.24Å; I108-Y110 WeakPolarHBondContact O-CE2 3.4Å; I108-Y110 PolarHBondContact O-N 2.04Å; Y110-V112 PolarHBondContact O-N 3.36Å; Y110-T129 CarbonylContact O-C 3.22Å; Y110-T129 VanDerWaalsContact O-CA 3.23Å; Y110-T129 WeakPolarHBondContact O-CA 3.34Å; Y110-V130 PolarHBondContact N-O 3.49Å; Y110-V130 PolarHBondContact O-N 3.33Å; Y110-A132 HydrophobicContact CD2-CB 4.21Å; Y110-A132 HydrophobicContact CE2-CB 3.99Å
111	H	47.6	Very low	37.8	Very low	148 Å²	148	88.5 Å²	88.5	69%	0.685	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	109.9	165.9	-67.7	-82.1	0	0	0	108.9	Y128 T129	H111-Y128 CarbonylContact C-O 3.51Å; H111-Y128 WeakPolarHBondContact CA-O 3.38Å; H111-T129 WeakPolarHBondContact CE1-CG2 3.22Å; H111-T129 WeakPolarHBondContact ND1-CG2 3.47Å
112	V	44.6	Very low	38.1	Very low	40 Å²	40	85 Å²	85	24%	0.242	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	174.5	-172	0	0	0	0	108.6	Y110 N127 Y128 V130	Y110-V112 PolarHBondContact O-N 3.36Å; V112-N127 CarbonylContact O-C 3.38Å; V112-N127 WeakPolarHBondContact O-CA 3.22Å; V112-Y128 HydrophobicContact CB-CD2 3.96Å; V112-Y128 HydrophobicContact CB-CE1 4.06Å; V112-Y128 HydrophobicContact CB-CE2 3.42Å; V112-Y128 VanDerWaalsContact CB-CE2 3.42Å; V112-Y128 HydrophobicContact CB-CG 4.47Å; V112-Y128 VanDerWaalsContact CB-CZ 3.47Å; V112-Y128 HydrophobicContact CG1-CE1 4.04Å; V112-Y128 HydrophobicContact CG1-CE2 3.85Å; V112-Y128 VanDerWaalsContact CG1-CZ 3.41Å; V112-Y128 WeakPolarHBondContact CG1-OH 3.23Å; V112-Y128 HydrophobicContact CG2-CD2 4.45Å; V112-Y128 HydrophobicContact CG2-CE2 3.89Å; V112-Y128 PolarHBondContact N-O 2.84Å; V112-Y128 WeakPolarHBondContact O-CD1 3.43Å; V112-Y128 PolarHBondContact O-N 2.8Å; V112-V130 HydrophobicContact CG2-CG2 4.07Å
113	S	40.5	Very low	38.3	Very low	50 Å²	50	82.1 Å²	82.1	35%	0.35	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.5	176.6	-66.4	0	0	0	0	109.4	N125 L126 N127	S113-N125 VanDerWaalsContact CB-OD1 3.23Å; S113-N125 WeakPolarHBondContact CB-OD1 3.09Å; S113-L126 CarbonylContact C-O 3.58Å; S113-L126 WeakPolarHBondContact CA-O 3.07Å; S113-N127 VanDerWaalsContact CB-OD1 3.32Å; S113-N127 WeakPolarHBondContact CB-OD1 2.94Å; S113-N127 PolarHBondContact OG-OD1 3.15Å
114	L	42.6	Very low	38.5	Very low	13 Å²	13	77.7 Å²	77.7	7%	0.068	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.1	172.2	-177.5	81.1	0	0	0	109.2	K98 I116 N125 L126 Y128 F146	K98-L114 HydrophobicContact CD-CD1 4.11Å; L114-I116 HydrophobicContact CD2-CD1 3.82Å; L114-I116 HydrophobicContact CD2-CG1 3.76Å; L114-I116 HydrophobicContact CG-CG1 4.02Å; L114-N125 CarbonylContact O-C 3.5Å; L114-N125 WeakPolarHBondContact O-CA 3.11Å; L114-L126 HydrophobicContact CB-CB 4.27Å; L114-L126 HydrophobicContact CD2-CD1 4.37Å; L114-L126 PolarHBondContact N-O 3.41Å; L114-L126 PolarHBondContact O-N 3.22Å; L114-Y128 HydrophobicContact CB-CE1 3.93Å; L114-F146 HydrophobicContact CD2-CE1 4.05Å; L114-F146 HydrophobicContact CD2-CZ 3.7Å
115	L	35.5	Very low	38.7	Very low	96 Å²	96	77 Å²	77	50%	0.503	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.1	166.3	-86.5	89.4	0	0	0	110.1	Y123 M124	L115-Y123 HydrophobicContact CD2-CD2 3.46Å; L115-Y123 VanDerWaalsContact CD2-CD2 3.46Å; L115-Y123 HydrophobicContact CD2-CE2 3.83Å; L115-Y123 HydrophobicContact CD2-CG 4.06Å; L115-Y123 HydrophobicContact CG-CD2 4.09Å; L115-M124 CarbonylContact C-O 3.55Å; L115-M124 VanDerWaalsContact CA-O 3.3Å; L115-M124 WeakPolarHBondContact CA-O 3.11Å
116	I	41	Very low	39.1	Very low	26 Å²	26	70.2 Å²	70.2	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.3	171.5	-58.1	173.8	0	0	0	107	L114 L118 Y123 M124 L126 L154	L114-I116 HydrophobicContact CD2-CD1 3.82Å; L114-I116 HydrophobicContact CD2-CG1 3.76Å; L114-I116 HydrophobicContact CG-CG1 4.02Å; I116-L118 HydrophobicContact CG2-CD2 4.05Å; I116-Y123 CarbonylContact O-C 3.44Å; I116-Y123 VanDerWaalsContact O-CA 3.3Å; I116-Y123 WeakPolarHBondContact O-CA 3.28Å; I116-M124 PolarHBondContact N-O 3.05Å; I116-M124 PolarHBondContact O-N 2.93Å; I116-L126 HydrophobicContact CD1-CD1 3.66Å; I116-L126 HydrophobicContact CD1-CG 4.37Å; I116-L154 HydrophobicContact CD1-CD1 3.59Å; I116-L154 HydrophobicContact CD1-CD2 4.15Å
117	S	34.2	Very low	39.3	Very low	57 Å²	57	74.2 Å²	74.2	40%	0.399	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.1	171.7	-177.5	0	0	0	0	109.2
118	L	31.3	Very low	39.4	Very low	46 Å²	46	72.1 Å²	72.1	24%	0.241	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	0.6	-175.6	-57.3	169.5	0	0	0	112.6	I116 T122 M124 T158 L162	I116-L118 HydrophobicContact CG2-CD2 4.05Å; L118-T122 PolarHBondContact N-O 2.85Å; L118-M124 HydrophobicContact CD1-CB 4.03Å; L118-M124 HydrophobicContact CG-CB 4.39Å; L118-T158 HydrophobicContact CD1-CG2 3.58Å; L118-T158 HydrophobicContact CD2-CG2 3.4Å; L118-T158 VanDerWaalsContact CD2-CG2 3.4Å; L118-T158 HydrophobicContact CG-CG2 4.08Å; L118-L162 HydrophobicContact CD2-CD1 3.56Å
119	G	25.5	Very low	39.3	Very low	27 Å²	27	71.8 Å²	71.8	28%	0.278	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.5	165.9	-171	0	0	0	0	0	113.1	G121 T122	G119-G121 PolarHBondContact O-N 2.01Å; G119-T122 PolarHBondContact O-N 3.33Å; G119-T122 VanDerWaalsContact O-N 3.1Å; G119-T122 PolarHBondContact O-OG1 3.11Å
120	N	30.2	Very low	39	Very low	165 Å²	165	69.2 Å²	69.2	88%	0.882	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	29.7	-176.1	-156.4	26.2	0	0	0	115.4	T122	N120-T122 PolarHBondContact O-N 2.88Å
121	G	32.4	Very low	38.8	Very low	75 Å²	75	74.3 Å²	74.3	77%	0.773	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	2.7	-178.5	0	0	0	0	0	115	G119	G119-G121 PolarHBondContact O-N 2.01Å
122	T	32.8	Very low	38.7	Very low	66 Å²	66	67.9 Å²	67.9	41%	0.405	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144	175.3	63.9	0	0	0	0	111.3	L118 G119 N120	L118-T122 PolarHBondContact N-O 2.85Å; G119-T122 PolarHBondContact O-N 3.33Å; G119-T122 VanDerWaalsContact O-N 3.1Å; G119-T122 PolarHBondContact O-OG1 3.11Å; N120-T122 PolarHBondContact O-N 2.88Å
123	Y	36.4	Very low	38.4	Very low	155 Å²	155	73.4 Å²	73.4	61%	0.608	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.9	175.3	61.7	-88.5	0	0	0	109.6	L115 I116	L115-Y123 HydrophobicContact CD2-CD2 3.46Å; L115-Y123 VanDerWaalsContact CD2-CD2 3.46Å; L115-Y123 HydrophobicContact CD2-CE2 3.83Å; L115-Y123 HydrophobicContact CD2-CG 4.06Å; L115-Y123 HydrophobicContact CG-CD2 4.09Å; I116-Y123 CarbonylContact O-C 3.44Å; I116-Y123 VanDerWaalsContact O-CA 3.3Å; I116-Y123 WeakPolarHBondContact O-CA 3.28Å
124	M	38.5	Very low	38.3	Very low	25 Å²	25	74.7 Å²	74.7	12%	0.123	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.8	172.5	-178.3	167.5	177.8	0	0	109.5	L115 I116 L118 L126 L154 E157 T158	L115-M124 CarbonylContact C-O 3.55Å; L115-M124 VanDerWaalsContact CA-O 3.3Å; L115-M124 WeakPolarHBondContact CA-O 3.11Å; I116-M124 PolarHBondContact N-O 3.05Å; I116-M124 PolarHBondContact O-N 2.93Å; L118-M124 HydrophobicContact CD1-CB 4.03Å; L118-M124 HydrophobicContact CG-CB 4.39Å; M124-L126 HydrophobicContact CE-CD2 3.78Å; M124-L126 HydrophobicContact CE-CG 4.46Å; M124-L154 HydrophobicContact CE-CD1 3.98Å; M124-L154 HydrophobicContact CG-CD1 4.46Å; M124-L154 HydrophobicContact SD-CD1 3.4Å; M124-L154 WeakPolarHBondContact SD-CD1 3.49Å; M124-L154 HydrophobicContact SD-CG 4.34Å; M124-E157 WeakPolarHBondContact CE-OE2 3.42Å; M124-T158 HydrophobicContact SD-CG2 4.41Å
125	N	41	Very low	37.8	Very low	69 Å²	69	79 Å²	79	37%	0.369	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.3	177.1	-168.8	2.9	0	0	0	110	S113 L114 N127	S113-N125 VanDerWaalsContact CB-OD1 3.23Å; S113-N125 WeakPolarHBondContact CB-OD1 3.09Å; L114-N125 CarbonylContact O-C 3.5Å; L114-N125 WeakPolarHBondContact O-CA 3.11Å; N125-N127 PolarHBondContact ND2-OD1 2.67Å; N125-N127 PolarHBondContact OD1-OD1 3.3Å
126	L	41.1	Very low	37.5	Very low	48 Å²	48	78 Å²	78	25%	0.251	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110	172.7	-71.6	175.8	0	0	0	109.4	S113 L114 I116 M124 F146 L154	S113-L126 CarbonylContact C-O 3.58Å; S113-L126 WeakPolarHBondContact CA-O 3.07Å; L114-L126 HydrophobicContact CB-CB 4.27Å; L114-L126 HydrophobicContact CD2-CD1 4.37Å; L114-L126 PolarHBondContact N-O 3.41Å; L114-L126 PolarHBondContact O-N 3.22Å; I116-L126 HydrophobicContact CD1-CD1 3.66Å; I116-L126 HydrophobicContact CD1-CG 4.37Å; M124-L126 HydrophobicContact CE-CD2 3.78Å; M124-L126 HydrophobicContact CE-CG 4.46Å; L126-F146 HydrophobicContact CD1-CE1 4.01Å; L126-L154 HydrophobicContact CD1-CD1 4.08Å
127	N	44.3	Very low	36.9	Very low	110 Å²	110	83 Å²	83	59%	0.588	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.9	175.1	-61.4	-32.7	0	0	0	109.5	V112 S113 N125	V112-N127 CarbonylContact O-C 3.38Å; V112-N127 WeakPolarHBondContact O-CA 3.22Å; S113-N127 VanDerWaalsContact CB-OD1 3.32Å; S113-N127 WeakPolarHBondContact CB-OD1 2.94Å; S113-N127 PolarHBondContact OG-OD1 3.15Å; N125-N127 PolarHBondContact ND2-OD1 2.67Å; N125-N127 PolarHBondContact OD1-OD1 3.3Å
128	Y	44.2	Very low	36.9	Very low	64 Å²	64	84.2 Å²	84.2	25%	0.251	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.1	174.3	55.1	-86.5	0	0	0	111.3	H111 V112 L114 V130 F144	H111-Y128 CarbonylContact C-O 3.51Å; H111-Y128 WeakPolarHBondContact CA-O 3.38Å; V112-Y128 HydrophobicContact CB-CD2 3.96Å; V112-Y128 HydrophobicContact CB-CE1 4.06Å; V112-Y128 HydrophobicContact CB-CE2 3.42Å; V112-Y128 VanDerWaalsContact CB-CE2 3.42Å; V112-Y128 HydrophobicContact CB-CG 4.47Å; V112-Y128 VanDerWaalsContact CB-CZ 3.47Å; V112-Y128 HydrophobicContact CG1-CE1 4.04Å; V112-Y128 HydrophobicContact CG1-CE2 3.85Å; V112-Y128 VanDerWaalsContact CG1-CZ 3.41Å; V112-Y128 WeakPolarHBondContact CG1-OH 3.23Å; V112-Y128 HydrophobicContact CG2-CD2 4.45Å; V112-Y128 HydrophobicContact CG2-CE2 3.89Å; V112-Y128 PolarHBondContact N-O 2.84Å; V112-Y128 WeakPolarHBondContact O-CD1 3.43Å; V112-Y128 PolarHBondContact O-N 2.8Å; L114-Y128 HydrophobicContact CB-CE1 3.93Å; Y128-V130 HydrophobicContact CD2-CG2 3.58Å; Y128-V130 HydrophobicContact CE2-CG2 3.54Å; Y128-F144 HydrophobicContact CE2-CD1 4.27Å; Y128-F144 AromaticContact CE2-CE1 3.72Å; Y128-F144 HydrophobicContact CE2-CE1 3.72Å; Y128-F144 AromaticContact CZ-CE1 3.53Å; Y128-F144 WeakPolarHBondContact OH-CE1 3.27Å; Y128-F144 WeakPolarHBondContact OH-CZ 3.21Å
129	T	44.3	Very low	36.8	Very low	83 Å²	83	86 Å²	86	51%	0.509	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.3	175.9	46.6	0	0	0	0	110.5	Y110 H111	Y110-T129 CarbonylContact O-C 3.22Å; Y110-T129 VanDerWaalsContact O-CA 3.23Å; Y110-T129 WeakPolarHBondContact O-CA 3.34Å; H111-T129 WeakPolarHBondContact CE1-CG2 3.22Å; H111-T129 WeakPolarHBondContact ND1-CG2 3.47Å
130	V	44.7	Very low	37.1	Very low	40 Å²	40	87 Å²	87	24%	0.242	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.9	172.2	-173.5	0	0	0	0	109	Y110 V112 Y128	Y110-V130 PolarHBondContact N-O 3.49Å; Y110-V130 PolarHBondContact O-N 3.33Å; V112-V130 HydrophobicContact CG2-CG2 4.07Å; Y128-V130 HydrophobicContact CD2-CG2 3.58Å; Y128-V130 HydrophobicContact CE2-CG2 3.54Å
131	K	42.2	Very low	37.1	Very low	158 Å²	158	86.1 Å²	86.1	69%	0.687	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.5	167.5	-76	-177.6	178.8	179.8	0	108.4	N109	N109-K131 WeakPolarHBondContact OD1-CG 3.42Å
132	A	44.5	Very low	36.9	Very low	13 Å²	13	85.4 Å²	85.4	11%	0.107	44%	0.439	C	S	.	.			trans	-107.6	135.1	172.7	0	0	0	0	0	110.4	Y110 V136	Y110-A132 HydrophobicContact CD2-CB 4.21Å; Y110-A132 HydrophobicContact CE2-CB 3.99Å; A132-V136 HydrophobicContact CB-CB 4.3Å; A132-V136 HydrophobicContact CB-CG2 4.31Å
133	F	39.6	Very low	36.8	Very low	155 Å²	155	84.7 Å²	84.7	68%	0.68	44%	0.435	S	S	*	.			trans	-91.8	104.5	176	-67.2	-83.3	0	0	0	110	T107 S135	T107-F133 HydrophobicContact CG2-CD1 4.22Å; F133-S135 PolarHBondContact O-N 3.36Å
134	S	37.6	Very low	36.8	Very low	78 Å²	78	80 Å²	80	55%	0.545	42%	0.418	S	S	.	.	S	Bend	trans	46.2	-19.6	163.6	52.2	0	0	0	0	122.5
135	S	31.9	Very low	36.7	Very low	102 Å²	102	86.6 Å²	86.6	71%	0.713	45%	0.448	S	S	*	.			trans	-167.1	53.2	172.7	58.9	0	0	0	0	110.3	F133 E137	F133-S135 PolarHBondContact O-N 3.36Å; S135-E137 PolarHBondContact O-N 2.83Å
136	V	28.9	Very low	36.5	Very low	75 Å²	75	84.6 Å²	84.6	46%	0.455	44%	0.436	S	S	.	.			trans	-84.6	106.1	167.3	-174.1	0	0	0	0	106.3	A132 L138	A132-V136 HydrophobicContact CB-CB 4.3Å; A132-V136 HydrophobicContact CB-CG2 4.31Å; V136-L138 VanDerWaalsContact C-N 3.27Å; V136-L138 PolarHBondContact O-N 2.75Å
137	E	30.3	Very low	36.2	Very low	132 Å²	132	85.2 Å²	85.2	62%	0.617	45%	0.445	S	S	*	.			trans	-59.1	103	153.8	-71.9	-175.4	166.1	0	0	105.5	S135 N139	S135-E137 PolarHBondContact O-N 2.83Å; E137-N139 PolarHBondContact O-N 3.31Å
138	L	32.4	Very low	35.8	Very low	83 Å²	83	86 Å²	86	44%	0.435	44%	0.444	S	S	.	.			trans	-63	96.3	166.9	-84	158.3	0	0	0	105.5	V136 D142	V136-L138 VanDerWaalsContact C-N 3.27Å; V136-L138 PolarHBondContact O-N 2.75Å; L138-D142 VanDerWaalsContact CA-OD2 3.28Å; L138-D142 WeakPolarHBondContact CA-OD2 3.45Å
139	N	29.6	Very low	35.6	Very low	84 Å²	84	85 Å²	85	45%	0.449	45%	0.454	S	S	.	.			trans	-70.1	141.2	-178.3	-94.1	-42.7	0	0	0	107	E137 F141 D142	E137-N139 PolarHBondContact O-N 3.31Å; N139-F141 PolarHBondContact O-N 2.83Å; N139-D142 PolarHBondContact N-OD2 3.08Å; N139-D142 WeakPolarHBondContact O-CB 3.3Å; N139-D142 VanDerWaalsContact O-CG 3.24Å; N139-D142 PolarHBondContact O-N 3.16Å
140	H	32.8	Very low	35.5	Very low	48 Å²	48	85.1 Å²	85.1	22%	0.222	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-4	179.1	-63.3	80.1	0	0	0	114.3	V97 R99 N101	V97-H140 WeakPolarHBondContact CG1-O 3.41Å; R99-H140 HydrophobicContact CG-CB 4.37Å; N101-H140 VanDerWaalsContact CG-NE2 3.35Å; N101-H140 PolarHBondContact OD1-CE1 3.05Å; N101-H140 PolarHBondContact OD1-NE2 2.87Å
141	F	29	Very low	35.4	Very low	146 Å²	146	85.6 Å²	85.6	64%	0.64	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-2.9	-179.7	-56.4	-75.2	0	0	0	112.8	R95 N139 P143	R95-F141 PolarHBondContact NH2-O 3.14Å; N139-F141 PolarHBondContact O-N 2.83Å; F141-P143 VanDerWaalsContact O-CD 3.26Å; F141-P143 WeakPolarHBondContact O-CD 3.41Å; F141-P143 VanDerWaalsContact O-N 3.08Å
142	D	29.6	Very low	35.3	Very low	60 Å²	60	80.6 Å²	80.6	32%	0.321	43%	0.433	S	S	.	.			trans	-61.5	114.3	-177.9	-70.6	-9.7	0	0	0	108.3	L138 N139 F144	L138-D142 VanDerWaalsContact CA-OD2 3.28Å; L138-D142 WeakPolarHBondContact CA-OD2 3.45Å; N139-D142 PolarHBondContact N-OD2 3.08Å; N139-D142 WeakPolarHBondContact O-CB 3.3Å; N139-D142 VanDerWaalsContact O-CG 3.24Å; N139-D142 PolarHBondContact O-N 3.16Å; D142-F144 PolarHBondContact O-N 3.22Å
143	P	30.7	Very low	35.4	Very low	50 Å²	50	85.8 Å²	85.8	33%	0.325	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.9	-178.6	21.2	-27.3	0	0	0	110.1	R95 F141 H145	R95-P143 HydrophobicContact CG-CB 3.85Å; F141-P143 VanDerWaalsContact O-CD 3.26Å; F141-P143 WeakPolarHBondContact O-CD 3.41Å; F141-P143 VanDerWaalsContact O-N 3.08Å; P143-H145 PolarHBondContact O-N 2.97Å
144	F	36.5	Very low	35.6	Very low	57 Å²	57	78.8 Å²	78.8	25%	0.25	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-78.3	118.6	158	-67.1	-70.8	0	0	0	108.2	I96 K98 Y128 D142 F146	I96-F144 WeakPolarHBondContact O-CD2 3.43Å; K98-F144 HydrophobicContact CB-CE2 4.11Å; Y128-F144 HydrophobicContact CE2-CD1 4.27Å; Y128-F144 AromaticContact CE2-CE1 3.72Å; Y128-F144 HydrophobicContact CE2-CE1 3.72Å; Y128-F144 AromaticContact CZ-CE1 3.53Å; Y128-F144 WeakPolarHBondContact OH-CE1 3.27Å; Y128-F144 WeakPolarHBondContact OH-CZ 3.21Å; D142-F144 PolarHBondContact O-N 3.22Å; F144-F146 HydrophobicContact CB-CE2 4.29Å
145	H	35	Very low	35.8	Very low	164 Å²	164	78.3 Å²	78.3	76%	0.759	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-88	119.8	167.7	-66.6	-89	0	0	0	107.9	P143	P143-H145 PolarHBondContact O-N 2.97Å
146	F	37.2	Very low	36.4	Very low	26 Å²	26	81.1 Å²	81.1	11%	0.114	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-91.9	127.9	164.1	-63.8	-88.4	0	0	0	107.8	I96 L114 L126 F144 L151	I96-F146 HydrophobicContact CB-CE2 4.01Å; I96-F146 HydrophobicContact CD1-CD2 4.36Å; I96-F146 HydrophobicContact CD1-CE2 3.44Å; I96-F146 VanDerWaalsContact CD1-CE2 3.44Å; I96-F146 HydrophobicContact CD1-CZ 3.83Å; I96-F146 HydrophobicContact CG1-CE2 3.72Å; I96-F146 HydrophobicContact CG1-CZ 4.5Å; L114-F146 HydrophobicContact CD2-CE1 4.05Å; L114-F146 HydrophobicContact CD2-CZ 3.7Å; L126-F146 HydrophobicContact CD1-CE1 4.01Å; F144-F146 HydrophobicContact CB-CE2 4.29Å; F146-L151 HydrophobicContact CB-CD1 4.17Å; F146-L151 HydrophobicContact CB-CD2 3.93Å; F146-L151 HydrophobicContact CB-CG 3.73Å; F146-L151 HydrophobicContact CG-CD2 4.15Å; F146-L151 HydrophobicContact CG-CG 4.47Å
147	S	34.8	Very low	37.2	Very low	61 Å²	61	82.9 Å²	82.9	43%	0.427	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-66	151.6	167.8	77.8	0	0	0	0	109.4	G149 D150 L151	S147-G149 PolarHBondContact O-N 2.84Å; S147-D150 WeakPolarHBondContact CB-OD2 3.15Å; S147-D150 PolarHBondContact O-N 2.86Å; S147-D150 PolarHBondContact OG-N 3.34Å; S147-D150 PolarHBondContact OG-OD2 3.05Å; S147-L151 PolarHBondContact O-N 2.87Å; S147-L151 VanDerWaalsContact O-N 3.16Å
148	H	37	Very low	37.7	Very low	126 Å²	126	77.1 Å²	77.1	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-54.1	-37.5	176.4	-177	76.2	0	0	0	111.8	D150 L151 L152	H148-D150 PolarHBondContact O-N 2.9Å; H148-L151 PolarHBondContact O-N 2.89Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.39Å; H148-L152 WeakPolarHBondContact O-CG 2.86Å; H148-L152 PolarHBondContact O-N 2.72Å
149	G	38.4	Very low	38	Very low	43 Å²	43	84 Å²	84	44%	0.443	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-37.3	175.5	0	0	0	0	0	114	S147 L152 K153	S147-G149 PolarHBondContact O-N 2.84Å; G149-L152 PolarHBondContact O-N 2.99Å; G149-K153 WeakPolarHBondContact O-CB 3.36Å; G149-K153 PolarHBondContact O-N 2.95Å
150	D	42.2	Very low	38	Very low	86 Å²	86	86.1 Å²	86.1	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-70.8	-37	177.9	-63.6	-44.8	0	0	0	112	S147 H148 K153 L154	S147-D150 WeakPolarHBondContact CB-OD2 3.15Å; S147-D150 PolarHBondContact O-N 2.86Å; S147-D150 PolarHBondContact OG-N 3.34Å; S147-D150 PolarHBondContact OG-OD2 3.05Å; H148-D150 PolarHBondContact O-N 2.9Å; D150-K153 PolarHBondContact O-N 2.72Å; D150-L154 WeakPolarHBondContact O-CB 3.38Å; D150-L154 PolarHBondContact O-N 3.25Å
151	L	43.5	Very low	37.9	Very low	50 Å²	50	88.7 Å²	88.7	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-66.1	-42	173.5	-72	171	0	0	0	111.9	F146 S147 H148 L154 Y155	F146-L151 HydrophobicContact CB-CD1 4.17Å; F146-L151 HydrophobicContact CB-CD2 3.93Å; F146-L151 HydrophobicContact CB-CG 3.73Å; F146-L151 HydrophobicContact CG-CD2 4.15Å; F146-L151 HydrophobicContact CG-CG 4.47Å; S147-L151 PolarHBondContact O-N 2.87Å; S147-L151 VanDerWaalsContact O-N 3.16Å; H148-L151 PolarHBondContact O-N 2.89Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.14Å; L151-Y155 PolarHBondContact O-N 3.15Å
152	L	40.6	Very low	37.9	Very low	53 Å²	53	83.4 Å²	83.4	28%	0.277	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-45.9	175	-75.4	174.5	0	0	0	111.2	H148 G149 L154 Y155 Y156	H148-L152 WeakPolarHBondContact NE2-CD1 3.39Å; H148-L152 WeakPolarHBondContact O-CG 2.86Å; H148-L152 PolarHBondContact O-N 2.72Å; G149-L152 PolarHBondContact O-N 2.99Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 PolarHBondContact O-N 3.38Å; L152-Y155 PolarHBondContact O-N 3.49Å; L152-Y155 VanDerWaalsContact O-N 3.15Å; L152-Y156 HydrophobicContact CB-CE2 4.48Å; L152-Y156 WeakPolarHBondContact O-CD2 3.23Å; L152-Y156 PolarHBondContact O-N 2.63Å
153	K	46.5	Very low	37.9	Very low	122 Å²	122	82.2 Å²	82.2	53%	0.53	40%	0.403	S	S	.	.	H	α-helix	trans	-58.8	-43.6	176.2	-174.3	177.8	176.3	-177.4	0	111.5	G149 D150 Y155 Y156 E157	G149-K153 WeakPolarHBondContact O-CB 3.36Å; G149-K153 PolarHBondContact O-N 2.95Å; D150-K153 PolarHBondContact O-N 2.72Å; K153-Y155 VanDerWaalsContact C-N 3.34Å; K153-Y155 PolarHBondContact O-N 3Å; K153-Y156 PolarHBondContact O-N 3.21Å; K153-E157 WeakPolarHBondContact CE-OE1 3.03Å; K153-E157 WeakPolarHBondContact O-CG 3.43Å; K153-E157 PolarHBondContact O-N 3.31Å
154	L	44.2	Very low	37.9	Very low	8 Å²	8	81.7 Å²	81.7	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-56.7	-46.8	174.5	-167.1	85.3	0	0	0	111.2	I116 M124 L126 D150 L151 L152 T158 L162	I116-L154 HydrophobicContact CD1-CD1 3.59Å; I116-L154 HydrophobicContact CD1-CD2 4.15Å; M124-L154 HydrophobicContact CE-CD1 3.98Å; M124-L154 HydrophobicContact CG-CD1 4.46Å; M124-L154 HydrophobicContact SD-CD1 3.4Å; M124-L154 WeakPolarHBondContact SD-CD1 3.49Å; M124-L154 HydrophobicContact SD-CG 4.34Å; L126-L154 HydrophobicContact CD1-CD1 4.08Å; D150-L154 WeakPolarHBondContact O-CB 3.38Å; D150-L154 PolarHBondContact O-N 3.25Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.14Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 PolarHBondContact O-N 3.38Å; L154-T158 WeakPolarHBondContact O-CG2 3.47Å; L154-T158 PolarHBondContact O-N 2.78Å; L154-T158 PolarHBondContact O-OG1 2.6Å; L154-L162 HydrophobicContact CD2-CD1 3.64Å; L154-L162 HydrophobicContact CD2-CD2 3.56Å; L154-L162 HydrophobicContact CD2-CG 4.26Å; L154-L162 HydrophobicContact CG-CD1 3.97Å
155	Y	41.4	Very low	37.4	Very low	69 Å²	69	84.3 Å²	84.3	27%	0.271	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-44.3	179.3	179.5	-97.5	0	0	0	113.2	I41 L151 L152 K153 E157 T158 R159	I41-Y155 HydrophobicContact CD1-CD2 4.42Å; I41-Y155 HydrophobicContact CD1-CE2 4.35Å; L151-Y155 PolarHBondContact O-N 3.15Å; L152-Y155 PolarHBondContact O-N 3.49Å; L152-Y155 VanDerWaalsContact O-N 3.15Å; K153-Y155 VanDerWaalsContact C-N 3.34Å; K153-Y155 PolarHBondContact O-N 3Å; Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 2.76Å; Y155-T158 PolarHBondContact O-N 2.8Å; Y155-T158 PolarHBondContact O-OG1 3.23Å; Y155-R159 PolarHBondContact O-N 2.82Å
156	Y	44.5	Very low	36.8	Very low	161 Å²	161	83.1 Å²	83.1	63%	0.631	40%	0.395	S	S	*	.	H	α-helix	trans	-61.8	-40.4	178	-82.8	-65.7	0	0	0	112.5	L152 K153	L152-Y156 HydrophobicContact CB-CE2 4.48Å; L152-Y156 WeakPolarHBondContact O-CD2 3.23Å; L152-Y156 PolarHBondContact O-N 2.63Å; K153-Y156 PolarHBondContact O-N 3.21Å
157	E	45.5	Very low	36.2	Very low	111 Å²	111	85.5 Å²	85.5	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-32.6	179.9	-73.9	-175.9	-162.3	0	0	112.4	M124 K153 Y155	M124-E157 WeakPolarHBondContact CE-OE2 3.42Å; K153-E157 WeakPolarHBondContact CE-OE1 3.03Å; K153-E157 WeakPolarHBondContact O-CG 3.43Å; K153-E157 PolarHBondContact O-N 3.31Å; Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 2.76Å
158	T	40.1	Very low	35.7	Very low	12 Å²	12	92.4 Å²	92.4	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-84.9	-27.6	-173.5	65.4	0	0	0	0	113	L118 M124 L154 Y155 F160 L162	L118-T158 HydrophobicContact CD1-CG2 3.58Å; L118-T158 HydrophobicContact CD2-CG2 3.4Å; L118-T158 VanDerWaalsContact CD2-CG2 3.4Å; L118-T158 HydrophobicContact CG-CG2 4.08Å; M124-T158 HydrophobicContact SD-CG2 4.41Å; L154-T158 WeakPolarHBondContact O-CG2 3.47Å; L154-T158 PolarHBondContact O-N 2.78Å; L154-T158 PolarHBondContact O-OG1 2.6Å; Y155-T158 PolarHBondContact O-N 2.8Å; Y155-T158 PolarHBondContact O-OG1 3.23Å; T158-F160 WeakPolarHBondContact O-CD2 3.22Å; T158-F160 PolarHBondContact O-N 3.39Å; T158-F160 PolarHBondContact OG1-O 3.14Å; T158-L162 HydrophobicContact CG2-CD1 3.9Å
159	R	38.3	Very low	35.1	Very low	227 Å²	227	92.8 Å²	92.8	86%	0.857	44%	0.443	S	S	*	.			trans	50.4	12	-174.7	-72.3	-167.6	-88.5	-179	-7.9	115	Y155	Y155-R159 PolarHBondContact O-N 2.82Å
160	F	30.1	Very low	34.5	Very low	128 Å²	128	96.6 Å²	96.6	56%	0.561	46%	0.458	S	S	*	.	S	Bend	trans	-122.4	144.8	177.8	-70	-71.5	0	0	0	108.9	T158 L162	T158-F160 WeakPolarHBondContact O-CD2 3.22Å; T158-F160 PolarHBondContact O-N 3.39Å; T158-F160 PolarHBondContact OG1-O 3.14Å; F160-L162 PolarHBondContact O-N 2.7Å; F160-L162 VanDerWaalsContact O-N 3.15Å
161	P	30.2	Very low	33.8	Very low	102 Å²	102	98.5 Å²	98.5	66%	0.662	47%	0.472	S	S	*	.			trans	-60.4	119.7	173.9	24	-31.2	0	0	0	109.8
162	L	30.8	Very low	32.9	Very low	35 Å²	35	103.4 Å²	103.4	18%	0.183	49%	0.494	C	S	.	.			trans	-88.2	109.2	-177.5	-148.8	121.3	0	0	0	108.9	L118 L154 T158 F160 I164	L118-L162 HydrophobicContact CD2-CD1 3.56Å; L154-L162 HydrophobicContact CD2-CD1 3.64Å; L154-L162 HydrophobicContact CD2-CD2 3.56Å; L154-L162 HydrophobicContact CD2-CG 4.26Å; L154-L162 HydrophobicContact CG-CD1 3.97Å; T158-L162 HydrophobicContact CG2-CD1 3.9Å; F160-L162 PolarHBondContact O-N 2.7Å; F160-L162 VanDerWaalsContact O-N 3.15Å; L162-I164 HydrophobicContact CD2-CD1 4.11Å; L162-I164 HydrophobicContact CD2-CG1 3.86Å
163	C	29.4	Very low	32.1	Very low	35 Å²	35	105.2 Å²	105.2	24%	0.236	51%	0.511	C	S	.	.			trans	-105.4	114.2	171.7	-66.1	0	0	0	0	109.3	Y165	C163-Y165 HydrophobicContact CB-CD2 4.11Å; C163-Y165 HydrophobicContact CB-CE2 3.54Å
164	I	30.3	Very low	30.9	Very low	39 Å²	39	106.4 Å²	106.4	20%	0.2	52%	0.518	C	S	.	.			trans	-88.5	128.5	173	-57.3	166.9	0	0	0	105.9	D55 I96 L162	D55-I164 WeakPolarHBondContact CB-O 3.3Å; I96-I164 HydrophobicContact CD1-CD1 3.86Å; I96-I164 HydrophobicContact CD1-CG2 4.38Å; I96-I164 HydrophobicContact CG1-CG2 4.5Å; L162-I164 HydrophobicContact CD2-CD1 4.11Å; L162-I164 HydrophobicContact CD2-CG1 3.86Å
165	Y	24.8	Very low	30	Very low	113 Å²	113	111.6 Å²	111.6	44%	0.443	54%	0.538	S	S	.	.			trans	-136.9	139.8	171.8	-68.7	-66.7	0	0	0	108.9	I54 C163	I54-Y165 WeakPolarHBondContact O-CE1 3.13Å; I54-Y165 PolarHBondContact O-OH 3.06Å; C163-Y165 HydrophobicContact CB-CD2 4.11Å; C163-Y165 HydrophobicContact CB-CE2 3.54Å
166	R	23.2	Very low	29.2	Very low	138 Å²	138	117 Å²	117	52%	0.521	56%	0.559	S	S	.	*			trans	-104.1	109.7	174.3	-170.3	176.1	178.3	179.4	-1.6	110.9
167	A	24.2	Very low	28.3	Very low	77 Å²	77	114.8 Å²	114.8	64%	0.636	57%	0.565	S	S	*	*			trans	-87.1	140.2	171.7	0	0	0	0	0	111.5
168	W	24.6	Very low	27.5	Very low	205 Å²	205	113.4 Å²	113.4	78%	0.777	57%	0.567	S	S	*	*			trans	-74.6	134.9	173.5	-71.1	63	0	0	0	109.7
169	D	23.9	Very low	26.8	Very low	134 Å²	134	117.2 Å²	117.2	72%	0.717	59%	0.593	S	S	*	*	S	Bend	trans	52.9	117.6	171.2	-73.2	-31.8	0	0	0	119.8
170	T	25.6	Very low	26.5	Very low	124 Å²	124	113.7 Å²	113.7	76%	0.761	59%	0.592	S	S	*	*	S	Bend	trans	55	114.6	143.6	57.4	0	0	0	0	120.5	H172	T170-H172 PolarHBondContact O-N 3.47Å
171	V	28.3	Very low	26.7	Very low	125 Å²	125	116 Å²	116	76%	0.758	60%	0.602	S	S	*	*	S	Bend	trans	84.7	-32.8	151.6	-161.9	0	0	0	0	119.7
172	H	23.7	Very low	27	Very low	153 Å²	153	114.2 Å²	114.2	71%	0.708	59%	0.586	S	S	*	*			trans	-135.3	92.4	179.5	-64.2	-35.7	0	0	0	113.2	T170 Q174	T170-H172 PolarHBondContact O-N 3.47Å; H172-Q174 PolarHBondContact O-N 3Å
173	S	24.1	Very low	27.3	Very low	92 Å²	92	115.8 Å²	115.8	64%	0.643	60%	0.598	S	S	*	*			trans	-63.8	97.8	167.6	-48.9	0	0	0	0	109.3
174	Q	21.1	Very low	27.8	Very low	146 Å²	146	118.9 Å²	118.9	68%	0.682	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-97.2	127.9	170.4	-69.2	-175.8	1.5	0	0	109.2	H172	H172-Q174 PolarHBondContact O-N 3Å
175	Y	25.7	Very low	28.2	Very low	117 Å²	117	125 Å²	125	46%	0.459	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-98.5	130.3	-179.1	-63.6	-95.1	0	0	0	108.6
176	Y	24.8	Very low	28.7	Very low	182 Å²	182	125 Å²	125	71%	0.714	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-95.4	138.3	176.8	-68.5	-82.7	0	0	0	110.8
177	P	25.1	Very low	29.5	Very low	115 Å²	115	120 Å²	120	75%	0.747	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.3	166.2	-15.5	28.2	0	0	0	110.6	S179	P177-S179 PolarHBondContact O-N 3.31Å
178	C	28.7	Very low	30.4	Very low	83 Å²	83	121.4 Å²	121.4	56%	0.561	63%	0.63	S	S	*	*			trans	-49.2	110.4	171.3	-60.2	0	0	0	0	109.7
179	S	26.6	Very low	31.3	Very low	91 Å²	91	116 Å²	116	64%	0.636	62%	0.616	S	S	*	*			trans	-98.1	150.1	170.8	75.8	0	0	0	0	109.8	P177 K181	P177-S179 PolarHBondContact O-N 3.31Å; S179-K181 PolarHBondContact O-N 3.47Å
180	D	32.4	Very low	32.2	Very low	153 Å²	153	114.7 Å²	114.7	82%	0.818	60%	0.602	S	S	*	*	S	Bend	trans	-60.8	-6.8	-175.8	-55.6	-38.8	0	0	0	115.2
181	K	33.3	Very low	33.2	Very low	178 Å²	178	117.1 Å²	117.1	77%	0.774	61%	0.605	S	S	*	*	S	Bend	trans	-115	127.1	180	-75.6	-175.3	176.4	-178.7	0	111.8	S179	S179-K181 PolarHBondContact O-N 3.47Å
182	L	37.8	Very low	34.2	Very low	63 Å²	63	115.5 Å²	115.5	33%	0.33	59%	0.592	S	S	.	*			trans	-61.5	142.5	169	-69.8	169.8	0	0	0	110.4	M52 S184 Y190	M52-L182 HydrophobicContact CG-CD2 3.87Å; M52-L182 HydrophobicContact SD-CD2 3.89Å; L182-S184 PolarHBondContact O-N 3.49Å; L182-Y190 HydrophobicContact CD1-CD2 4.36Å; L182-Y190 HydrophobicContact CD1-CE2 3.94Å
183	P	36.6	Very low	35.5	Very low	68 Å²	68	116.8 Å²	116.8	44%	0.442	59%	0.59	S	S	.	*			trans	-72.2	114.1	178.4	-2.2	15.9	0	0	0	110.1	K185 Y186	P183-K185 PolarHBondContact O-N 3.47Å; P183-Y186 HydrophobicContact CB-CD2 3.87Å; P183-Y186 HydrophobicContact CB-CE2 4.23Å; P183-Y186 HydrophobicContact CG-CD2 4.02Å; P183-Y186 HydrophobicContact CG-CE2 4.34Å; P183-Y186 PolarHBondContact O-N 2.96Å
184	S	40.1	Very low	36.8	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-54.5	-25.5	177.8	54.3	0	0	0	0	114	L182 Y186 Y187	L182-S184 PolarHBondContact O-N 3.49Å; S184-Y186 VanDerWaalsContact C-N 3.27Å; S184-Y186 PolarHBondContact O-N 3.2Å; S184-Y187 CarbonylContact O-C 3.23Å; S184-Y187 VanDerWaalsContact O-C 3.23Å; S184-Y187 PolarHBondContact O-N 3.02Å; S184-Y187 VanDerWaalsContact O-N 3.1Å
185	K	38.9	Very low	38.1	Very low	166 Å²	166	114.5 Å²	114.5	72%	0.722	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-57.9	-33.5	178.4	-176.8	178.2	177.9	-177.2	0	114	P183	P183-K185 PolarHBondContact O-N 3.47Å
186	Y	35.4	Very low	39.1	Very low	113 Å²	113	111 Å²	111	44%	0.443	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-96.9	-6.8	179.4	-57.1	-74.3	0	0	0	112.4	P183 S184	P183-Y186 HydrophobicContact CB-CD2 3.87Å; P183-Y186 HydrophobicContact CB-CE2 4.23Å; P183-Y186 HydrophobicContact CG-CD2 4.02Å; P183-Y186 HydrophobicContact CG-CE2 4.34Å; P183-Y186 PolarHBondContact O-N 2.96Å; S184-Y186 VanDerWaalsContact C-N 3.27Å; S184-Y186 PolarHBondContact O-N 3.2Å
187	Y	39.7	Very low	40.1	Very low	33 Å²	33	104.8 Å²	104.8	13%	0.129	55%	0.548	C	S	.	.			trans	-135.4	65.9	-174.9	-63.4	-79.9	0	0	0	110.4	N53 C56 S184 D189 Y190	N53-Y187 WeakPolarHBondContact CB-OH 3.46Å; N53-Y187 PolarHBondContact ND2-OH 3.01Å; N53-Y187 PolarHBondContact OD1-OH 3.22Å; C56-Y187 PolarHBondContact SG-OH 3.09Å; S184-Y187 CarbonylContact O-C 3.23Å; S184-Y187 VanDerWaalsContact O-C 3.23Å; S184-Y187 PolarHBondContact O-N 3.02Å; S184-Y187 VanDerWaalsContact O-N 3.1Å; Y187-D189 PolarHBondContact O-N 3.4Å; Y187-Y190 PolarHBondContact O-N 2.73Å
188	P	42.7	Very low	40.8	Very low	108 Å²	108	101.1 Å²	101.1	70%	0.701	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.6	176.3	25.1	-32.7	0	0	0	111.4
189	D	42.9	Very low	41.3	Very low	90 Å²	90	97.7 Å²	97.7	48%	0.481	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	13.3	-177.2	-66.2	-32.6	0	0	0	114.2	Y187 E191 N192	Y187-D189 PolarHBondContact O-N 3.4Å; D189-E191 PolarHBondContact O-N 3.25Å; D189-E191 VanDerWaalsContact O-N 3.08Å; D189-N192 HydrophobicContact CB-CB 4.21Å; D189-N192 WeakPolarHBondContact O-CA 2.9Å; D189-N192 PolarHBondContact O-N 2.65Å
190	Y	43.2	Very low	41.8	Very low	108 Å²	108	93.9 Å²	93.9	42%	0.424	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.2	175.3	-176.5	-104.4	0	0	0	112.5	L182 Y187 N192	L182-Y190 HydrophobicContact CD1-CD2 4.36Å; L182-Y190 HydrophobicContact CD1-CE2 3.94Å; Y187-Y190 PolarHBondContact O-N 2.73Å; Y190-N192 VanDerWaalsContact C-N 3.35Å
191	E	46.9	Very low	41.8	Very low	175 Å²	175	90.8 Å²	90.8	82%	0.818	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.3	176.1	-62.2	-168.8	169.9	0	0	113.1	D189 R193	D189-E191 PolarHBondContact O-N 3.25Å; D189-E191 VanDerWaalsContact O-N 3.08Å; E191-R193 PolarHBondContact O-N 3.33Å
192	N	49.5	Very low	42	Very low	91 Å²	91	84.3 Å²	84.3	49%	0.487	43%	0.431	S	S	.	.			trans	-89.8	87.5	-178.5	-154.3	0.4	0	0	0	110.4	D189 Y190 D194 T195	D189-N192 HydrophobicContact CB-CB 4.21Å; D189-N192 WeakPolarHBondContact O-CA 2.9Å; D189-N192 PolarHBondContact O-N 2.65Å; Y190-N192 VanDerWaalsContact C-N 3.35Å; N192-D194 PolarHBondContact O-N 3.19Å; N192-T195 PolarHBondContact O-OG1 3.43Å
193	R	50.7	Low	42	Very low	180 Å²	180	87.1 Å²	87.1	68%	0.679	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.8	-162.7	-63.7	-179.6	178.2	-171.8	-2.4	117.1	E191	E191-R193 PolarHBondContact O-N 3.33Å
194	D	50.4	Low	42.1	Very low	131 Å²	131	87.5 Å²	87.5	70%	0.701	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	2.8	-167.9	-67.8	-42.7	0	0	0	114.6	N192 P196	N192-D194 PolarHBondContact O-N 3.19Å; D194-P196 VanDerWaalsContact O-CD 3.29Å; D194-P196 WeakPolarHBondContact O-CD 3.08Å
195	T	48.2	Very low	42	Very low	58 Å²	58	85.4 Å²	85.4	36%	0.356	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-82.5	117.8	176.2	43.2	0	0	0	0	111	N192 L197	N192-T195 PolarHBondContact O-OG1 3.43Å; T195-L197 PolarHBondContact O-N 3.41Å
196	P	46.9	Very low	41.9	Very low	43 Å²	43	81.2 Å²	81.2	28%	0.279	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.4	171.8	27.2	-30.8	0	0	0	109.2	F25 Y26 D194	F25-P196 CarbonylContact O-C 3.51Å; F25-P196 WeakPolarHBondContact O-CA 3.07Å; Y26-P196 HydrophobicContact CD1-CB 4.09Å; Y26-P196 HydrophobicContact CE1-CB 3.72Å; Y26-P196 HydrophobicContact CE1-CG 4.05Å; D194-P196 VanDerWaalsContact O-CD 3.29Å; D194-P196 WeakPolarHBondContact O-CD 3.08Å
197	L	47.2	Very low	42.1	Very low	52 Å²	52	78.8 Å²	78.8	27%	0.272	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133	177.4	-67.2	177.6	0	0	0	109.9	Y24 F25 V27 T195 L199	Y24-L197 CarbonylContact C-O 3.59Å; Y24-L197 WeakPolarHBondContact CA-O 3Å; F25-L197 PolarHBondContact N-O 2.92Å; F25-L197 PolarHBondContact O-N 3.05Å; V27-L197 HydrophobicContact CB-CD1 4.43Å; V27-L197 HydrophobicContact CG2-CD1 3.73Å; V27-L197 HydrophobicContact CG2-CG 4.5Å; T195-L197 PolarHBondContact O-N 3.41Å; L197-L199 HydrophobicContact CB-CD1 4.3Å; L197-L199 HydrophobicContact CB-CD2 4.08Å; L197-L199 HydrophobicContact CB-CG 4.01Å; L197-L199 WeakPolarHBondContact O-CG 3.4Å; L197-L199 PolarHBondContact O-N 3.15Å
198	P	38.1	Very low	42	Very low	39 Å²	39	82.4 Å²	82.4	25%	0.253	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	111.1	169	29.2	-31.2	0	0	0	108.3	V22 Y24	V22-P198 HydrophobicContact CG1-CB 3.33Å; Y24-P198 HydrophobicContact CD1-CB 3.82Å; Y24-P198 HydrophobicContact CD1-CG 4.33Å; Y24-P198 HydrophobicContact CE1-CB 3.64Å; Y24-P198 HydrophobicContact CE1-CG 4.03Å; Y24-P198 HydrophobicContact CG-CB 4.46Å
199	L	40.5	Very low	41.9	Very low	10 Å²	10	80.7 Å²	80.7	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-28.3	-172.9	-63.3	151.5	0	0	0	112.1	I23 F25 V27 I51 Y65 L197	I23-L199 PolarHBondContact O-N 3.46Å; F25-L199 HydrophobicContact CB-CD1 3.26Å; F25-L199 HydrophobicContact CD2-CB 3.7Å; F25-L199 HydrophobicContact CD2-CD1 3.36Å; F25-L199 HydrophobicContact CD2-CG 4.11Å; F25-L199 HydrophobicContact CE2-CB 4.04Å; F25-L199 HydrophobicContact CE2-CD1 4.36Å; F25-L199 HydrophobicContact CG-CD1 3.55Å; V27-L199 HydrophobicContact CG2-CD1 4.24Å; V27-L199 HydrophobicContact CG2-CD2 4.49Å; I51-L199 HydrophobicContact CD1-CD1 4.29Å; Y65-L199 HydrophobicContact CD1-CD2 4.36Å; Y65-L199 HydrophobicContact CE1-CB 4.17Å; Y65-L199 HydrophobicContact CE1-CD2 3.31Å; Y65-L199 HydrophobicContact CE1-CG 4.25Å; Y65-L199 HydrophobicContact CE2-CB 3.99Å; Y65-L199 WeakPolarHBondContact CE2-O 3.49Å; Y65-L199 VanDerWaalsContact CZ-CD2 3.41Å; Y65-L199 WeakPolarHBondContact OH-CA 3.21Å; Y65-L199 WeakPolarHBondContact OH-CD2 3.44Å; Y65-L199 PolarHBondContact OH-O 2.99Å; L197-L199 HydrophobicContact CB-CD1 4.3Å; L197-L199 HydrophobicContact CB-CD2 4.08Å; L197-L199 HydrophobicContact CB-CG 4.01Å; L197-L199 WeakPolarHBondContact O-CG 3.4Å; L197-L199 PolarHBondContact O-N 3.15Å
200	A	35.9	Very low	41.6	Very low	12 Å²	12	84 Å²	84	10%	0.099	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.8	177.8	0	0	0	0	0	111.5	V22 I23	V22-A200 CarbonylContact C-O 3.52Å; I23-A200 HydrophobicContact CB-CB 4.26Å; I23-A200 PolarHBondContact N-O 3.23Å; I23-A200 PolarHBondContact O-N 3Å
201	L	32.2	Very low	41.3	Very low	87 Å²	87	83.2 Å²	83.2	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.9	162.5	-74.3	164.4	0	0	0	106.8	L20 A21 V22	L20-L201 HydrophobicContact CB-CD2 4.49Å; L20-L201 HydrophobicContact CD2-CB 4.13Å; L20-L201 HydrophobicContact CD2-CD2 4.42Å; A21-L201 WeakPolarHBondContact O-CA 3.46Å; V22-L201 HydrophobicContact CB-CD2 4.47Å; V22-L201 HydrophobicContact CG2-CD2 3.63Å
202	I	38.5	Very low	40.6	Very low	42 Å²	42	83.1 Å²	83.1	22%	0.215	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.3	168.2	55.4	169	0	0	0	109	A21 I23 L204	A21-I202 HydrophobicContact CB-CD1 4.13Å; A21-I202 HydrophobicContact CB-CG1 3.69Å; A21-I202 PolarHBondContact N-O 3.33Å; A21-I202 WeakPolarHBondContact O-CG1 3.4Å; A21-I202 PolarHBondContact O-N 3.41Å; I23-I202 HydrophobicContact CD1-CB 4.48Å; I23-I202 HydrophobicContact CD1-CD1 4.04Å; I23-I202 HydrophobicContact CD1-CG1 4.2Å; I23-I202 HydrophobicContact CD1-CG2 3.51Å; I23-I202 HydrophobicContact CG1-CD1 4.11Å; I23-I202 HydrophobicContact CG1-CG1 4.06Å; I23-I202 HydrophobicContact CG1-CG2 4.13Å; I202-L204 HydrophobicContact CD1-CD1 4.17Å; I202-L204 HydrophobicContact CD1-CD2 3.55Å; I202-L204 HydrophobicContact CD1-CG 3.76Å; I202-L204 HydrophobicContact CG1-CD2 4.32Å; I202-L204 HydrophobicContact CG1-CG 4.08Å; I202-L204 PolarHBondContact O-N 3.16Å
203	K	37	Very low	39.9	Very low	122 Å²	122	87.9 Å²	87.9	53%	0.53	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	102.5	163.5	-73.9	-175.7	177.3	-177.7	0	107.4	Y18 L20	Y18-K203 HydrophobicContact CD1-CB 3.77Å; Y18-K203 HydrophobicContact CG-CB 4.06Å; Y18-K203 HydrophobicContact CG-CD 4.35Å; L20-K203 HydrophobicContact CD2-CG 4.17Å
204	L	38.3	Very low	39	Very low	76 Å²	76	85.4 Å²	85.4	40%	0.398	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.8	167.3	-67.8	175.9	0	0	0	107.7	Y18 N19 A21 I202 K206	Y18-L204 CarbonylContact C-O 3.53Å; Y18-L204 VanDerWaalsContact C-O 3.3Å; Y18-L204 WeakPolarHBondContact CA-O 3.44Å; N19-L204 HydrophobicContact CB-CB 4.35Å; N19-L204 PolarHBondContact N-O 2.9Å; N19-L204 PolarHBondContact O-N 2.96Å; A21-L204 HydrophobicContact CB-CD1 3.4Å; A21-L204 HydrophobicContact CB-CG 3.94Å; I202-L204 HydrophobicContact CD1-CD1 4.17Å; I202-L204 HydrophobicContact CD1-CD2 3.55Å; I202-L204 HydrophobicContact CD1-CG 3.76Å; I202-L204 HydrophobicContact CG1-CD2 4.32Å; I202-L204 HydrophobicContact CG1-CG 4.08Å; I202-L204 PolarHBondContact O-N 3.16Å; L204-K206 PolarHBondContact O-N 2.79Å
205	L	38.3	Very low	38.4	Very low	57 Å²	57	86.1 Å²	86.1	30%	0.298	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.3	172.6	-78.8	157.5	0	0	0	110.2	Q17 Y18 P207 Y243 T273	Q17-L205 CarbonylContact O-C 3.54Å; Q17-L205 WeakPolarHBondContact O-CA 2.95Å; Q17-L205 WeakPolarHBondContact O-CD2 3.45Å; Y18-L205 HydrophobicContact CD1-CB 4.45Å; Y18-L205 HydrophobicContact CD1-CD2 3.61Å; Y18-L205 HydrophobicContact CD1-CG 3.75Å; Y18-L205 HydrophobicContact CE1-CD1 4.37Å; Y18-L205 HydrophobicContact CE1-CD2 3.14Å; Y18-L205 HydrophobicContact CE1-CG 3.45Å; Y18-L205 VanDerWaalsContact CE1-CG 3.45Å; Y18-L205 HydrophobicContact CE2-CD2 4.17Å; Y18-L205 HydrophobicContact CG-CD2 4.31Å; Y18-L205 VanDerWaalsContact CZ-CD2 3.44Å; L205-P207 WeakPolarHBondContact O-CD 3.4Å; L205-Y243 HydrophobicContact CD1-CE1 3.66Å; L205-T273 HydrophobicContact CD1-CG2 4.2Å; L205-T273 HydrophobicContact CD2-CG2 3.53Å; L205-T273 HydrophobicContact CG-CG2 4.43Å
206	K	38.3	Very low	37.4	Very low	79 Å²	79	88.8 Å²	88.8	34%	0.343	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-75.9	119.5	173.2	-171.3	-176.6	-179.5	-171.5	0	106.6	N16 Q17 L204 Q208	N16-K206 WeakPolarHBondContact O-CD 3.33Å; Q17-K206 PolarHBondContact O-N 3.47Å; L204-K206 PolarHBondContact O-N 2.79Å; K206-Q208 PolarHBondContact O-N 3.1Å
207	P	39.2	Very low	36.7	Very low	61 Å²	61	89.2 Å²	89.2	40%	0.396	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.7	129.6	174.6	27	-32.6	0	0	0	108.7	L205 K209	L205-P207 WeakPolarHBondContact O-CD 3.4Å; P207-K209 PolarHBondContact O-N 3.35Å
208	Q	38	Very low	35.9	Very low	110 Å²	110	90.6 Å²	90.6	51%	0.514	45%	0.445	S	S	.	.	S	Bend	trans	-73.5	-18.2	176.9	-65.3	-139.4	-38	0	0	112.4	K206 I286	K206-Q208 PolarHBondContact O-N 3.1Å; Q208-I286 HydrophobicContact CB-CD1 4.3Å
209	K	39	Very low	35.6	Very low	71 Å²	71	92.2 Å²	92.2	31%	0.309	47%	0.468	S	S	.	.	S	Bend	trans	-112.1	110.8	167.9	-168.9	166.6	-178.8	167.7	0	108.4	P207 W211 E261	P207-K209 PolarHBondContact O-N 3.35Å; K209-W211 VanDerWaalsContact C-N 3.34Å; K209-W211 HydrophobicContact CD-CZ2 3.99Å; K209-W211 PolarHBondContact O-N 3.2Å; K209-E261 IonicContact NZ-OE1 2.71Å; K209-E261 PolarHBondContact NZ-OE1 3.26Å; K209-E261 IonicContact NZ-OE2 3.1Å; K209-E261 PolarHBondContact NZ-OE2 2.04Å
210	E	37.5	Very low	35	Very low	161 Å²	161	101.2 Å²	101.2	75%	0.752	50%	0.503	S	S	*	.			trans	-67.3	97.2	164.9	-74.2	-175.9	168.8	0	0	106.9	D212	E210-D212 PolarHBondContact O-N 3.38Å
211	W	35.9	Very low	34.8	Very low	90 Å²	90	113 Å²	113	34%	0.341	55%	0.545	S	S	.	.			trans	-66.7	130.6	157.4	-79.1	-72.7	0	0	0	106.6	K209 Y213 F240	K209-W211 VanDerWaalsContact C-N 3.34Å; K209-W211 HydrophobicContact CD-CZ2 3.99Å; K209-W211 PolarHBondContact O-N 3.2Å; W211-Y213 PolarHBondContact O-N 2.92Å; W211-F240 WeakPolarHBondContact CH2-O 3.44Å; W211-F240 WeakPolarHBondContact CZ2-O 3.3Å; W211-F240 WeakPolarHBondContact CZ3-O 3.01Å
212	D	33.7	Very low	34.7	Very low	174 Å²	174	112.1 Å²	112.1	93%	0.93	56%	0.557	S	S	*	*	S	Bend	trans	-66.6	72.9	177.4	-154.8	12.8	0	0	0	108.9	E210	E210-D212 PolarHBondContact O-N 3.38Å
213	Y	34.3	Very low	34.3	Very low	190 Å²	190	122.1 Å²	122.1	75%	0.745	59%	0.592	S	S	*	*			trans	-137.6	110.7	172.8	-149.7	-93.4	0	0	0	107.5	W211 F215	W211-Y213 PolarHBondContact O-N 2.92Å; Y213-F215 VanDerWaalsContact C-N 3.3Å; Y213-F215 PolarHBondContact O-N 3.35Å
214	D	32	Very low	34.2	Very low	128 Å²	128	120.5 Å²	120.5	68%	0.684	60%	0.596	S	S	*	*			trans	-65.7	89.1	175.9	-165.8	12.6	0	0	0	108.8	M216	D214-M216 PolarHBondContact O-N 2.92Å; D214-M216 WeakPolarHBondContact OD1-CG 3.3Å
215	F	36.9	Very low	34.2	Very low	146 Å²	146	121.6 Å²	121.6	64%	0.64	61%	0.61	S	S	*	*			trans	-76.4	75.3	169.4	-167.5	-109.5	0	0	0	108.7	Y213 V217	Y213-F215 VanDerWaalsContact C-N 3.3Å; Y213-F215 PolarHBondContact O-N 3.35Å; F215-V217 HydrophobicContact CD1-CG2 3.5Å; F215-V217 HydrophobicContact CE1-CB 4.49Å; F215-V217 HydrophobicContact CE1-CG2 3.01Å; F215-V217 HydrophobicContact CZ-CG2 3.68Å; F215-V217 PolarHBondContact O-N 3.12Å
216	M	27.4	Very low	34.3	Very low	114 Å²	114	120.9 Å²	120.9	56%	0.562	61%	0.61	S	S	*	*			trans	-73.5	102.5	164	-74.2	-166.7	55.6	0	0	109	D214 T218	D214-M216 PolarHBondContact O-N 2.92Å; D214-M216 WeakPolarHBondContact OD1-CG 3.3Å; M216-T218 HydrophobicContact CE-CG2 3.4Å; M216-T218 WeakPolarHBondContact CE-OG1 3.26Å; M216-T218 PolarHBondContact O-N 2.81Å
217	V	32.8	Very low	34	Very low	53 Å²	53	120.2 Å²	120.2	32%	0.321	61%	0.609	S	S	.	*			trans	-75.5	66.1	158.2	-166.7	0	0	0	0	108.6	I3 F215	I3-V217 HydrophobicContact CB-CB 4.37Å; I3-V217 HydrophobicContact CB-CG1 4.5Å; I3-V217 HydrophobicContact CD1-CG1 4.12Å; I3-V217 HydrophobicContact CD1-CG2 4.35Å; I3-V217 HydrophobicContact CG1-CG1 4.3Å; F215-V217 HydrophobicContact CD1-CG2 3.5Å; F215-V217 HydrophobicContact CE1-CB 4.49Å; F215-V217 HydrophobicContact CE1-CG2 3.01Å; F215-V217 HydrophobicContact CZ-CG2 3.68Å; F215-V217 PolarHBondContact O-N 3.12Å
218	T	30.9	Very low	33.9	Very low	81 Å²	81	118 Å²	118	50%	0.497	60%	0.596	S	S	.	*			trans	-102.2	104.7	163.7	45.6	0	0	0	0	107.9	M216 Y220	M216-T218 HydrophobicContact CE-CG2 3.4Å; M216-T218 WeakPolarHBondContact CE-OG1 3.26Å; M216-T218 PolarHBondContact O-N 2.81Å; T218-Y220 PolarHBondContact O-N 2.8Å
219	G	31.9	Very low	33.7	Very low	73 Å²	73	116 Å²	116	75%	0.753	59%	0.594	S	S	*	*			trans	-66.9	56.1	177.2	0	0	0	0	0	114.2
220	Y	27.8	Very low	33.4	Very low	199 Å²	199	119.7 Å²	119.7	78%	0.78	61%	0.61	S	S	*	*	S	Bend	trans	-99.9	109.7	163.6	-91	-87.3	0	0	0	109	T218 G222	T218-Y220 PolarHBondContact O-N 2.8Å; Y220-G222 PolarHBondContact O-N 3.15Å
221	W	31.2	Very low	33.4	Very low	259 Å²	259	114.9 Å²	114.9	98%	0.981	59%	0.589	S	S	*	*	S	Bend	trans	11.3	76.3	151.6	-59.9	91.6	0	0	0	115.7
222	G	29.4	Very low	33.3	Very low	68 Å²	68	115.1 Å²	115.1	70%	0.701	60%	0.596	S	S	*	*			trans	177.6	99.7	-177	0	0	0	0	0	111.3	Y220	Y220-G222 PolarHBondContact O-N 3.15Å
223	R	30.7	Very low	33.2	Very low	253 Å²	253	111.8 Å²	111.8	96%	0.955	59%	0.585	S	S	*	*	S	Bend	trans	14.1	123.7	160.4	-70	-179.1	173.2	-168.4	-2.2	118.6
224	S	35.8	Very low	33.2	Very low	87 Å²	87	105.1 Å²	105.1	61%	0.608	57%	0.565	S	S	*	*			trans	92.3	75.8	156.6	-159	0	0	0	0	115.6	S226	S224-S226 PolarHBondContact O-N 3.33Å
225	S	38.2	Very low	33.7	Very low	99 Å²	99	111.4 Å²	111.4	69%	0.692	58%	0.579	S	S	*	*			trans	-56	95.4	134	43.9	0	0	0	0	107.1	L227	S225-L227 PolarHBondContact O-N 3.46Å
226	S	38.8	Very low	34	Very low	42 Å²	42	110.5 Å²	110.5	29%	0.294	58%	0.581	S	S	.	*			trans	-65.9	88.6	166.1	44.6	0	0	0	0	106.6	S224 C228	S224-S226 PolarHBondContact O-N 3.33Å; S226-C228 PolarHBondContact O-N 2.68Å
227	L	33.5	Very low	34.5	Very low	65 Å²	65	114.2 Å²	114.2	34%	0.34	59%	0.594	S	S	.	*			trans	-48.2	136.7	166.4	-72	114.4	0	0	0	107.8	S225 S229 K230 H246	S225-L227 PolarHBondContact O-N 3.46Å; L227-S229 WeakPolarHBondContact CB-OG 3.42Å; L227-S229 PolarHBondContact O-N 3.2Å; L227-K230 PolarHBondContact O-N 3.23Å; L227-H246 WeakPolarHBondContact CD2-CE1 3.39Å
228	C	36.4	Very low	35.1	Very low	16 Å²	16	117.5 Å²	117.5	11%	0.108	61%	0.614	C	S	.	*	G	3₁₀ helix	trans	-50.4	-25.1	179.4	-106.9	0	0	0	0	112.5	S226 K230 L231 G245 C248	S226-C228 PolarHBondContact O-N 2.68Å; C228-K230 PolarHBondContact O-N 3.35Å; C228-L231 WeakPolarHBondContact O-CB 3.49Å; C228-L231 PolarHBondContact O-N 2.79Å; C228-G245 VanDerWaalsContact CB-O 3.23Å; C228-G245 WeakPolarHBondContact CB-O 3.47Å; C228-C248 HydrophobicContact CB-CB 4.24Å; C228-C248 WeakPolarHBondContact CB-SG 2.99Å; C228-C248 WeakPolarHBondContact SG-CB 3.12Å; C228-C248 CovalentContact SG-SG 2.05Å; C228-C248 PolarHBondContact SG-SG 2.98Å
229	S	34.6	Very low	35.6	Very low	68 Å²	68	116.2 Å²	116.2	48%	0.476	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-63	-27.8	173.4	61.7	0	0	0	0	116	L227 L231	L227-S229 WeakPolarHBondContact CB-OG 3.42Å; L227-S229 PolarHBondContact O-N 3.2Å; S229-L231 VanDerWaalsContact C-N 3.28Å
230	K	32.7	Very low	36.2	Very low	148 Å²	148	117.3 Å²	117.3	64%	0.643	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-82.1	-7.6	176.3	-78.2	-170.7	176.7	-179.6	0	113.5	L227 C228	L227-K230 PolarHBondContact O-N 3.23Å; C228-K230 PolarHBondContact O-N 3.35Å
231	L	36.3	Very low	37	Very low	59 Å²	59	109.4 Å²	109.4	31%	0.309	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-94.1	-8	-176.9	-57.5	169.7	0	0	0	113.5	C228 S229 C233 P234 P241	C228-L231 WeakPolarHBondContact O-CB 3.49Å; C228-L231 PolarHBondContact O-N 2.79Å; S229-L231 VanDerWaalsContact C-N 3.28Å; L231-C233 PolarHBondContact O-N 2.88Å; L231-P234 WeakPolarHBondContact O-CD 3.28Å; L231-P241 HydrophobicContact CB-CB 4.45Å; L231-P241 HydrophobicContact CB-CG 3.21Å; L231-P241 HydrophobicContact CD1-CB 4.39Å; L231-P241 HydrophobicContact CD1-CG 3.85Å; L231-P241 HydrophobicContact CG-CG 4.05Å; L231-P241 WeakPolarHBondContact O-CD 3.32Å
232	I	33.9	Very low	37.8	Very low	95 Å²	95	97.5 Å²	97.5	49%	0.487	52%	0.522	S	S	.	.	S	Bend	trans	-68.3	-18.9	-179.2	-60.2	177.5	0	0	0	111.5	T244	I232-T244 HydrophobicContact CD1-CG2 3.82Å; I232-T244 HydrophobicContact CG1-CG2 3.94Å
233	C	31.9	Very low	38.7	Very low	104 Å²	104	95.7 Å²	95.7	70%	0.703	50%	0.495	S	S	*	.			trans	-162.6	70.3	178	-151.8	0	0	0	0	111.9	L231	L231-C233 PolarHBondContact O-N 2.88Å
234	P	35.2	Very low	39.1	Very low	51 Å²	51	85.1 Å²	85.1	33%	0.331	46%	0.459	S	S	.	.			trans	-60.5	142.5	165.5	25.8	-29.8	0	0	0	108.8	L231 D236	L231-P234 WeakPolarHBondContact O-CD 3.28Å; P234-D236 PolarHBondContact O-N 2.91Å; P234-D236 VanDerWaalsContact O-N 3.1Å
235	W	42.4	Very low	38.9	Very low	259 Å²	259	81.8 Å²	81.8	98%	0.981	44%	0.438	S	S	*	.	S	Bend	trans	-59.6	-20.2	176.3	-67.5	-53.2	0	0	0	112.7
236	D	42.5	Very low	38.6	Very low	127 Å²	127	81.3 Å²	81.3	68%	0.679	43%	0.425	S	S	*	.	S	Bend	trans	-93	112.2	171.4	-75.8	-39.1	0	0	0	110.4	P234 V238	P234-D236 PolarHBondContact O-N 2.91Å; P234-D236 VanDerWaalsContact O-N 3.1Å; D236-V238 HydrophobicContact CB-CG2 4.39Å; D236-V238 PolarHBondContact O-N 3.34Å
237	K	38.9	Very low	38.7	Very low	192 Å²	192	84 Å²	84	84%	0.835	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	31.3	178.3	-62.2	-175.8	174	-173.7	0	114.8
238	V	43.9	Very low	39.3	Very low	122 Å²	122	83.1 Å²	83.1	74%	0.739	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-14.6	-168.2	-172.2	0	0	0	0	113	D236	D236-V238 HydrophobicContact CB-CG2 4.39Å; D236-V238 PolarHBondContact O-N 3.34Å
239	S	42.7	Very low	39.6	Very low	55 Å²	55	87.4 Å²	87.4	39%	0.385	45%	0.448	S	S	.	.			trans	-155.2	135	170.8	49.5	0	0	0	0	112.3
240	F	43.8	Very low	40.1	Very low	95 Å²	95	90.2 Å²	90.2	42%	0.417	45%	0.452	S	S	.	.			trans	-112.1	119.5	170.7	-66.7	-84.3	0	0	0	107.2	W211 V259	W211-F240 WeakPolarHBondContact CH2-O 3.44Å; W211-F240 WeakPolarHBondContact CZ2-O 3.3Å; W211-F240 WeakPolarHBondContact CZ3-O 3.01Å; F240-V259 HydrophobicContact CB-CB 4.48Å; F240-V259 HydrophobicContact CB-CG1 4.44Å; F240-V259 HydrophobicContact CB-CG2 4.49Å; F240-V259 HydrophobicContact CD1-CG1 3.95Å; F240-V259 HydrophobicContact CD2-CB 3.83Å; F240-V259 HydrophobicContact CD2-CG1 3.49Å; F240-V259 VanDerWaalsContact CD2-CG1 3.49Å; F240-V259 HydrophobicContact CE1-CG1 3.98Å; F240-V259 HydrophobicContact CE2-CB 4.23Å; F240-V259 HydrophobicContact CE2-CG1 3.53Å; F240-V259 HydrophobicContact CG-CB 4.16Å; F240-V259 HydrophobicContact CG-CG1 3.7Å; F240-V259 HydrophobicContact CZ-CG1 3.78Å
241	P	45.1	Very low	41.1	Very low	33 Å²	33	85.4 Å²	85.4	21%	0.214	43%	0.433	C	S	.	.			trans	-68.2	145.5	174.5	-2.2	13.8	0	0	0	111	L231 Y243	L231-P241 HydrophobicContact CB-CB 4.45Å; L231-P241 HydrophobicContact CB-CG 3.21Å; L231-P241 HydrophobicContact CD1-CB 4.39Å; L231-P241 HydrophobicContact CD1-CG 3.85Å; L231-P241 HydrophobicContact CG-CG 4.05Å; L231-P241 WeakPolarHBondContact O-CD 3.32Å; P241-Y243 PolarHBondContact O-N 3.15Å; P241-Y243 VanDerWaalsContact O-N 3.12Å
242	A	48.4	Very low	42.1	Very low	9 Å²	9	83.2 Å²	83.2	7%	0.074	42%	0.422	C	S	.	.	S	Bend	trans	-69.5	0.8	176.3	0	0	0	0	0	114.8	V252 E254 T273	A242-V252 PolarHBondContact O-N 2.77Å; A242-V252 VanDerWaalsContact O-N 3.14Å; A242-E254 WeakPolarHBondContact CA-OE1 2.79Å; A242-E254 VanDerWaalsContact CB-OE1 3.28Å; A242-E254 WeakPolarHBondContact CB-OE1 3.37Å; A242-T273 WeakPolarHBondContact CB-O 3.17Å
243	Y	47.1	Very low	43.6	Very low	30 Å²	30	81.6 Å²	81.6	12%	0.118	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.4	-176.5	-55.2	-82.7	0	0	0	113.1	L205 P241 C248 K250 V252 T273	L205-Y243 HydrophobicContact CD1-CE1 3.66Å; P241-Y243 PolarHBondContact O-N 3.15Å; P241-Y243 VanDerWaalsContact O-N 3.12Å; Y243-C248 HydrophobicContact CG-CB 4.46Å; Y243-K250 CarbonylContact C-O 3.57Å; Y243-K250 WeakPolarHBondContact CA-O 3.41Å; Y243-V252 VanDerWaalsContact C-CG2 3.5Å; Y243-T273 HydrophobicContact CE1-CG2 4.21Å; Y243-T273 WeakPolarHBondContact OH-CA 2.95Å; Y243-T273 WeakPolarHBondContact OH-CB 3.38Å; Y243-T273 WeakPolarHBondContact OH-CG2 3.19Å; Y243-T273 PolarHBondContact OH-O 2.86Å
244	T	39.5	Very low	45.4	Very low	32 Å²	32	77 Å²	77	20%	0.196	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	169.7	170.7	58	0	0	0	0	110.3	I232 C248 E249 K250 V252	I232-T244 HydrophobicContact CD1-CG2 3.82Å; I232-T244 HydrophobicContact CG1-CG2 3.94Å; T244-C248 CarbonylContact O-C 3.56Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å; T244-E249 PolarHBondContact O-N 2.85Å; T244-K250 PolarHBondContact N-O 3.23Å; T244-K250 WeakPolarHBondContact O-CA 3.39Å; T244-K250 WeakPolarHBondContact O-CB 3.37Å; T244-K250 PolarHBondContact O-N 3.39Å; T244-K250 WeakPolarHBondContact OG1-CB 3.37Å; T244-V252 HydrophobicContact CG2-CG2 3.33Å
245	G	31	Very low	47.3	Very low	17 Å²	17	76.1 Å²	76.1	18%	0.175	38%	0.377	C	S	.	.	S	Bend	trans	106.5	169.7	-177.1	0	0	0	0	0	112.9	C228 E249	C228-G245 VanDerWaalsContact CB-O 3.23Å; C228-G245 WeakPolarHBondContact CB-O 3.47Å; G245-E249 WeakPolarHBondContact CA-OE1 3.32Å; G245-E249 WeakPolarHBondContact CA-OE2 3.15Å
246	H	32.9	Very low	48.9	Very low	89 Å²	89	67.4 Å²	67.4	41%	0.412	36%	0.361	S	S	.	.	S	Bend	trans	-73.5	-34.9	-176.4	-166.4	66	0	0	0	111.4	L227 E249	L227-H246 WeakPolarHBondContact CD2-CE1 3.39Å; H246-E249 PolarHBondContact N-OE2 3Å; H246-E249 VanDerWaalsContact N-OE2 3.15Å
247	F	39.6	Very low	50.4	Low	97 Å²	97	68.2 Å²	68.2	43%	0.425	36%	0.358	S	S	.	.	S	Bend	trans	-107.1	15.5	176.3	-52.8	-73.7	0	0	0	112.3	E87 E249	E87-F247 HydrophobicContact CB-CE1 3.87Å; E87-F247 HydrophobicContact CB-CZ 4.28Å; E87-F247 HydrophobicContact CG-CE1 3.9Å; E87-F247 HydrophobicContact CG-CZ 4.35Å; F247-E249 WeakPolarHBondContact CA-OE2 3.36Å; F247-E249 PolarHBondContact N-OE2 2.98Å; F247-E249 PolarHBondContact O-N 3.18Å
248	C	46.5	Very low	52.1	Low	47 Å²	47	61.5 Å²	61.5	32%	0.318	34%	0.344	S	S	.	.	S	Bend	trans	59.9	32.4	-174.3	-33.9	0	0	0	0	111.7	C228 Y243 T244	C228-C248 HydrophobicContact CB-CB 4.24Å; C228-C248 WeakPolarHBondContact CB-SG 2.99Å; C228-C248 WeakPolarHBondContact SG-CB 3.12Å; C228-C248 CovalentContact SG-SG 2.05Å; C228-C248 PolarHBondContact SG-SG 2.98Å; Y243-C248 HydrophobicContact CG-CB 4.46Å; T244-C248 CarbonylContact O-C 3.56Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å
249	E	43.4	Very low	53.4	Low	107 Å²	107	57.4 Å²	57.4	50%	0.5	32%	0.319	S	S	.	.			trans	-82.4	-12.6	-174.6	73.6	-73.1	171.2	0	0	114.3	T244 G245 H246 F247	T244-E249 PolarHBondContact O-N 2.85Å; G245-E249 WeakPolarHBondContact CA-OE1 3.32Å; G245-E249 WeakPolarHBondContact CA-OE2 3.15Å; H246-E249 PolarHBondContact N-OE2 3Å; H246-E249 VanDerWaalsContact N-OE2 3.15Å; F247-E249 WeakPolarHBondContact CA-OE2 3.36Å; F247-E249 PolarHBondContact N-OE2 2.98Å; F247-E249 PolarHBondContact O-N 3.18Å
250	K	44.4	Very low	55	Low	126 Å²	126	57.7 Å²	57.7	55%	0.548	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128	-178.4	-60	-178.3	-178.2	-179.2	0	109.6	Y243 T244	Y243-K250 CarbonylContact C-O 3.57Å; Y243-K250 WeakPolarHBondContact CA-O 3.41Å; T244-K250 PolarHBondContact N-O 3.23Å; T244-K250 WeakPolarHBondContact O-CA 3.39Å; T244-K250 WeakPolarHBondContact O-CB 3.37Å; T244-K250 PolarHBondContact O-N 3.39Å; T244-K250 WeakPolarHBondContact OG1-CB 3.37Å
251	N	53.9	Low	56.7	Low	47 Å²	47	58.2 Å²	58.2	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	142.4	170.9	-171.9	47.1	0	0	0	111	D270 T271 N272 T273	N251-D270 VanDerWaalsContact ND2-CG 3.28Å; N251-D270 PolarHBondContact ND2-OD1 2.91Å; N251-D270 PolarHBondContact ND2-OD2 3.11Å; N251-T271 VanDerWaalsContact CG-O 3.24Å; N251-T271 PolarHBondContact ND2-O 3.1Å; N251-T271 PolarHBondContact OD1-O 2.82Å; N251-T271 VanDerWaalsContact OD1-O 3.14Å; N251-N272 VanDerWaalsContact CG-C 3.42Å; N251-N272 PolarHBondContact OD1-O 2.94Å; N251-N272 VanDerWaalsContact OD1-O 3.06Å; N251-T273 PolarHBondContact OD1-N 2.95Å
252	V	56.7	Low	58.5	Low	13 Å²	13	57.5 Å²	57.5	8%	0.079	31%	0.313	C	S	.	.			trans	-95.6	122	165.6	177.8	0	0	0	0	107.8	A242 Y243 T244 E254 F257	A242-V252 PolarHBondContact O-N 2.77Å; A242-V252 VanDerWaalsContact O-N 3.14Å; Y243-V252 VanDerWaalsContact C-CG2 3.5Å; T244-V252 HydrophobicContact CG2-CG2 3.33Å; V252-E254 VanDerWaalsContact O-CD 3.23Å; V252-E254 PolarHBondContact O-N 2.05Å; V252-E254 VanDerWaalsContact O-OE2 3.1Å; V252-F257 HydrophobicContact CG1-CD2 3.58Å; V252-F257 HydrophobicContact CG1-CE2 3.88Å
253	D	66.8	Low	60.3	Low	61 Å²	61	59 Å²	59	33%	0.326	32%	0.322	S	S	.	.			trans	-73.8	90.7	172.1	-176.5	-18.7	0	0	0	109.8	C255 A256 F257 D270	D253-C255 PolarHBondContact O-N 2.88Å; D253-C255 WeakPolarHBondContact OD1-CB 3.48Å; D253-C255 PolarHBondContact OD1-N 3.39Å; D253-C255 VanDerWaalsContact OD1-N 3.14Å; D253-A256 HydrophobicContact CB-CB 3.86Å; D253-A256 PolarHBondContact O-N 2.78Å; D253-A256 VanDerWaalsContact O-N 3.16Å; D253-A256 PolarHBondContact OD1-N 3.21Å; D253-A256 WeakPolarHBondContact OD2-CB 3.01Å; D253-F257 VanDerWaalsContact O-CD2 3.23Å; D253-F257 WeakPolarHBondContact O-CD2 3.2Å; D253-F257 PolarHBondContact O-N 2.89Å; D253-D270 WeakPolarHBondContact CA-OD1 3.38Å
254	E	68.9	Low	62	Low	9 Å²	9	62.9 Å²	62.9	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-25.1	-177.7	-65.5	100.3	163.1	0	0	112.9	A242 V252 G258 V259 S274 Y275	A242-E254 WeakPolarHBondContact CA-OE1 2.79Å; A242-E254 VanDerWaalsContact CB-OE1 3.28Å; A242-E254 WeakPolarHBondContact CB-OE1 3.37Å; V252-E254 VanDerWaalsContact O-CD 3.23Å; V252-E254 PolarHBondContact O-N 2.05Å; V252-E254 VanDerWaalsContact O-OE2 3.1Å; E254-G258 PolarHBondContact O-N 2.87Å; E254-V259 HydrophobicContact CB-CG2 3.64Å; E254-V259 HydrophobicContact CG-CG2 3.79Å; E254-V259 PolarHBondContact O-N 2.85Å; E254-V259 VanDerWaalsContact O-N 3.08Å; E254-S274 WeakPolarHBondContact OE1-CA 3.2Å; E254-S274 WeakPolarHBondContact OE2-CA 3.5Å; E254-Y275 HydrophobicContact CB-CD1 3.6Å; E254-Y275 HydrophobicContact CB-CE1 4.35Å; E254-Y275 HydrophobicContact CB-CG 4.18Å; E254-Y275 HydrophobicContact CG-CD1 3.91Å; E254-Y275 PolarHBondContact OE2-N 3.04Å
255	C	75.5	Confident	64.1	Low	31 Å²	31	65.5 Å²	65.5	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-71.9	-42.8	175.6	-57.5	0	0	0	0	111.2	D253 G258 C268 R269 D270	D253-C255 PolarHBondContact O-N 2.88Å; D253-C255 WeakPolarHBondContact OD1-CB 3.48Å; D253-C255 PolarHBondContact OD1-N 3.39Å; D253-C255 VanDerWaalsContact OD1-N 3.14Å; C255-G258 PolarHBondContact O-N 3.4Å; C255-C268 WeakPolarHBondContact CA-SG 3.15Å; C255-C268 HydrophobicContact CB-CB 3.8Å; C255-C268 WeakPolarHBondContact CB-SG 3.3Å; C255-C268 WeakPolarHBondContact SG-CB 3.43Å; C255-C268 CovalentContact SG-SG 2.04Å; C255-C268 PolarHBondContact SG-SG 2.93Å; C255-R269 PolarHBondContact SG-N 2.8Å; C255-D270 PolarHBondContact SG-N 3.49Å; C255-D270 VanDerWaalsContact SG-N 3.36Å
256	A	76.5	Confident	66.7	Low	76 Å²	76	66.6 Å²	66.6	63%	0.628	40%	0.397	S	S	*	.	H	α-helix	trans	-68	-34.8	175.8	0	0	0	0	0	112.7	D253 G258	D253-A256 HydrophobicContact CB-CB 3.86Å; D253-A256 PolarHBondContact O-N 2.78Å; D253-A256 VanDerWaalsContact O-N 3.16Å; D253-A256 PolarHBondContact OD1-N 3.21Å; D253-A256 WeakPolarHBondContact OD2-CB 3.01Å; A256-G258 VanDerWaalsContact C-N 3.32Å
257	F	73.4	Confident	69.2	Low	144 Å²	144	67.4 Å²	67.4	63%	0.632	40%	0.401	S	S	*	.	H	α-helix	trans	-80.7	-11.2	175.9	-75.7	-73.5	0	0	0	113.7	V252 D253 V259	V252-F257 HydrophobicContact CG1-CD2 3.58Å; V252-F257 HydrophobicContact CG1-CE2 3.88Å; D253-F257 VanDerWaalsContact O-CD2 3.23Å; D253-F257 WeakPolarHBondContact O-CD2 3.2Å; D253-F257 PolarHBondContact O-N 2.89Å; F257-V259 VanDerWaalsContact C-N 3.25Å; F257-V259 HydrophobicContact CB-CG1 4.14Å; F257-V259 HydrophobicContact CB-CG2 4.18Å; F257-V259 PolarHBondContact O-N 2.75Å
258	G	75	Confident	71.3	Confident	51 Å²	51	64 Å²	64	53%	0.526	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	28.4	-179.4	0	0	0	0	0	113.4	E254 C255 A256	E254-G258 PolarHBondContact O-N 2.87Å; C255-G258 PolarHBondContact O-N 3.4Å; A256-G258 VanDerWaalsContact C-N 3.32Å
259	V	70	Confident	72.7	Confident	37 Å²	37	66.9 Å²	66.9	22%	0.224	39%	0.393	C	S	.	.			trans	-96.2	2.3	-180	-62.7	0	0	0	0	112.6	F240 E254 F257	F240-V259 HydrophobicContact CB-CB 4.48Å; F240-V259 HydrophobicContact CB-CG1 4.44Å; F240-V259 HydrophobicContact CB-CG2 4.49Å; F240-V259 HydrophobicContact CD1-CG1 3.95Å; F240-V259 HydrophobicContact CD2-CB 3.83Å; F240-V259 HydrophobicContact CD2-CG1 3.49Å; F240-V259 VanDerWaalsContact CD2-CG1 3.49Å; F240-V259 HydrophobicContact CE1-CG1 3.98Å; F240-V259 HydrophobicContact CE2-CB 4.23Å; F240-V259 HydrophobicContact CE2-CG1 3.53Å; F240-V259 HydrophobicContact CG-CB 4.16Å; F240-V259 HydrophobicContact CG-CG1 3.7Å; F240-V259 HydrophobicContact CZ-CG1 3.78Å; E254-V259 HydrophobicContact CB-CG2 3.64Å; E254-V259 HydrophobicContact CG-CG2 3.79Å; E254-V259 PolarHBondContact O-N 2.85Å; E254-V259 VanDerWaalsContact O-N 3.08Å; F257-V259 VanDerWaalsContact C-N 3.25Å; F257-V259 HydrophobicContact CB-CG1 4.14Å; F257-V259 HydrophobicContact CB-CG2 4.18Å; F257-V259 PolarHBondContact O-N 2.75Å
260	H	77.5	Confident	73.7	Confident	61 Å²	61	64.7 Å²	64.7	28%	0.282	39%	0.385	S	S	.	.			trans	-69.8	152.3	174.8	67.4	86.5	0	0	0	112.4	C262 C268 Y275	H260-C262 WeakPolarHBondContact ND1-CB 3.38Å; H260-C262 PolarHBondContact ND1-N 3.45Å; H260-C262 PolarHBondContact ND1-SG 2.71Å; H260-C268 VanDerWaalsContact CB-SG 3.59Å; H260-C268 VanDerWaalsContact CD2-SG 3.59Å; H260-C268 VanDerWaalsContact CG-SG 3.52Å; H260-Y275 HydrophobicContact CB-CD1 4.23Å; H260-Y275 HydrophobicContact CB-CD2 3.61Å; H260-Y275 HydrophobicContact CB-CE1 4.11Å; H260-Y275 HydrophobicContact CB-CE2 3.48Å; H260-Y275 VanDerWaalsContact CB-CE2 3.48Å; H260-Y275 HydrophobicContact CB-CG 3.99Å
261	E	78.5	Confident	74.1	Confident	106 Å²	106	60.7 Å²	60.7	50%	0.495	37%	0.372	S	S	.	.			trans	-101.5	22.8	177.1	-69.6	168.5	-179.6	0	0	111.8	K209 Y275 N287	K209-E261 IonicContact NZ-OE1 2.71Å; K209-E261 PolarHBondContact NZ-OE1 3.26Å; K209-E261 IonicContact NZ-OE2 3.1Å; K209-E261 PolarHBondContact NZ-OE2 2.04Å; E261-Y275 PolarHBondContact N-OH 3.39Å; E261-N287 PolarHBondContact OE2-ND2 2.76Å
262	C	83.8	Confident	74	Confident	17 Å²	17	65.2 Å²	65.2	12%	0.115	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-59.7	139.4	176.7	-56.1	0	0	0	0	112.4	H260 T266 C277	H260-C262 WeakPolarHBondContact ND1-CB 3.38Å; H260-C262 PolarHBondContact ND1-N 3.45Å; H260-C262 PolarHBondContact ND1-SG 2.71Å; C262-T266 WeakPolarHBondContact CB-OG1 3.16Å; C262-C277 WeakPolarHBondContact CA-SG 3.12Å; C262-C277 HydrophobicContact CB-CB 3.76Å; C262-C277 WeakPolarHBondContact CB-SG 3.23Å; C262-C277 WeakPolarHBondContact SG-CB 3.49Å; C262-C277 CovalentContact SG-SG 2.01Å; C262-C277 PolarHBondContact SG-SG 2.85Å
263	P	84.7	Confident	73.6	Confident	41 Å²	41	65.3 Å²	65.3	27%	0.266	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-55	147.7	173.2	-25.5	32.9	0	0	0	112.4	G265 T266 N287 C288	P263-G265 PolarHBondContact O-N 3.42Å; P263-G265 VanDerWaalsContact O-N 3.11Å; P263-T266 HydrophobicContact CB-CG2 4.17Å; P263-T266 WeakPolarHBondContact CD-OG1 3.26Å; P263-T266 HydrophobicContact CG-CG2 4.43Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 VanDerWaalsContact O-N 3.11Å; P263-T266 PolarHBondContact O-OG1 2.96Å; P263-N287 VanDerWaalsContact CD-O 3.27Å; P263-N287 WeakPolarHBondContact CD-O 3.41Å; P263-C288 HydrophobicContact CG-CB 4.07Å
264	A	84.4	Confident	73.2	Confident	112 Å²	112	63 Å²	63	93%	0.926	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	121.8	176.8	0	0	0	0	0	110.8
265	G	82.9	Confident	73	Confident	87 Å²	87	63.3 Å²	63.3	90%	0.897	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-3.5	179	0	0	0	0	0	115.9	P263	P263-G265 PolarHBondContact O-N 3.42Å; P263-G265 VanDerWaalsContact O-N 3.11Å
266	T	84.5	Confident	72.9	Confident	39 Å²	39	66.2 Å²	66.2	24%	0.239	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-87.9	154.1	170.3	59.1	0	0	0	0	111.7	C262 P263 V278	C262-T266 WeakPolarHBondContact CB-OG1 3.16Å; P263-T266 HydrophobicContact CB-CG2 4.17Å; P263-T266 WeakPolarHBondContact CD-OG1 3.26Å; P263-T266 HydrophobicContact CG-CG2 4.43Å; P263-T266 PolarHBondContact O-N 2.8Å; P263-T266 VanDerWaalsContact O-N 3.11Å; P263-T266 PolarHBondContact O-OG1 2.96Å; T266-V278 WeakPolarHBondContact CB-O 3.48Å
267	E	86.5	Confident	73	Confident	106 Å²	106	62.8 Å²	62.8	50%	0.495	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-81.3	128.2	176.9	-174.9	-174	142.9	0	0	109.7	R269 C277 V278	E267-R269 HydrophobicContact CG-CG 4.49Å; E267-R269 IonicContact OE1-CZ 3.73Å; E267-R269 IonicContact OE1-NE 2.66Å; E267-R269 PolarHBondContact OE1-NE 2.66Å; E267-R269 IonicContact OE1-NH2 3.95Å; E267-R269 PolarHBondContact OE1-NH2 3.43Å; E267-R269 VanDerWaalsContact OE1-NH2 3.13Å; E267-R269 IonicContact OE2-NH2 2.7Å; E267-C277 CarbonylContact O-C 3.51Å; E267-C277 WeakPolarHBondContact O-CA 3.44Å; E267-V278 HydrophobicContact CB-CB 4.06Å; E267-V278 HydrophobicContact CB-CG2 3.91Å; E267-V278 HydrophobicContact CG-CG2 4.33Å; E267-V278 PolarHBondContact O-N 2.91Å
268	C	84.5	Confident	73.3	Confident	26 Å²	26	58.5 Å²	58.5	18%	0.176	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.2	170.5	-177.1	0	0	0	0	109.4	C255 H260	C255-C268 WeakPolarHBondContact CA-SG 3.15Å; C255-C268 HydrophobicContact CB-CB 3.8Å; C255-C268 WeakPolarHBondContact CB-SG 3.3Å; C255-C268 WeakPolarHBondContact SG-CB 3.43Å; C255-C268 CovalentContact SG-SG 2.04Å; C255-C268 PolarHBondContact SG-SG 2.93Å; H260-C268 VanDerWaalsContact CB-SG 3.59Å; H260-C268 VanDerWaalsContact CD2-SG 3.59Å; H260-C268 VanDerWaalsContact CG-SG 3.52Å
269	R	75.7	Confident	73.6	Confident	107 Å²	107	57.9 Å²	57.9	40%	0.404	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.8	172.6	-70.3	-174.4	174.4	176.4	5.1	111.5	C255 E267 Y275 Y276 V278	C255-R269 PolarHBondContact SG-N 2.8Å; E267-R269 HydrophobicContact CG-CG 4.49Å; E267-R269 IonicContact OE1-CZ 3.73Å; E267-R269 IonicContact OE1-NE 2.66Å; E267-R269 PolarHBondContact OE1-NE 2.66Å; E267-R269 IonicContact OE1-NH2 3.95Å; E267-R269 PolarHBondContact OE1-NH2 3.43Å; E267-R269 VanDerWaalsContact OE1-NH2 3.13Å; E267-R269 IonicContact OE2-NH2 2.7Å; R269-Y275 CarbonylContact O-C 3.58Å; R269-Y275 VanDerWaalsContact O-CA 3.22Å; R269-Y275 WeakPolarHBondContact O-CA 3.3Å; R269-Y275 WeakPolarHBondContact O-CB 3.14Å; R269-Y276 HydrophobicContact CB-CD1 4.09Å; R269-Y276 HydrophobicContact CB-CE1 3.62Å; R269-Y276 HydrophobicContact CB-CE2 4.1Å; R269-Y276 VanDerWaalsContact CD-CZ 3.48Å; R269-Y276 WeakPolarHBondContact CD-OH 3.33Å; R269-Y276 HydrophobicContact CG-CE2 4.45Å; R269-Y276 PolarHBondContact N-O 3.21Å; R269-Y276 PolarHBondContact NH1-OH 2.92Å; R269-Y276 PolarHBondContact O-N 3.29Å; R269-V278 HydrophobicContact CG-CG2 4.34Å
270	D	63.3	Low	74.2	Confident	61 Å²	61	59.2 Å²	59.2	33%	0.326	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	147	174.2	-176.5	49.1	0	0	0	111.2	N251 D253 C255	N251-D270 VanDerWaalsContact ND2-CG 3.28Å; N251-D270 PolarHBondContact ND2-OD1 2.91Å; N251-D270 PolarHBondContact ND2-OD2 3.11Å; D253-D270 WeakPolarHBondContact CA-OD1 3.38Å; C255-D270 PolarHBondContact SG-N 3.49Å; C255-D270 VanDerWaalsContact SG-N 3.36Å
271	T	53.6	Low	74.4	Confident	43 Å²	43	64 Å²	64	26%	0.264	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	162.7	172.8	74.5	0	0	0	0	108.1	N251 T273 S274 Y276	N251-T271 VanDerWaalsContact CG-O 3.24Å; N251-T271 PolarHBondContact ND2-O 3.1Å; N251-T271 PolarHBondContact OD1-O 2.82Å; N251-T271 VanDerWaalsContact OD1-O 3.14Å; T271-T273 PolarHBondContact O-N 3.16Å; T271-S274 CarbonylContact C-O 3.48Å; T271-S274 VanDerWaalsContact CA-O 3.3Å; T271-S274 WeakPolarHBondContact CA-O 3.49Å; T271-S274 VanDerWaalsContact CB-O 3.3Å; T271-S274 WeakPolarHBondContact CB-O 3.11Å; T271-S274 PolarHBondContact N-O 3.03Å; T271-S274 PolarHBondContact O-N 3.21Å; T271-S274 VanDerWaalsContact OG1-C 3.23Å; T271-S274 PolarHBondContact OG1-N 2.98Å; T271-S274 VanDerWaalsContact OG1-N 3.15Å; T271-S274 PolarHBondContact OG1-O 3.1Å; T271-Y276 HydrophobicContact CG2-CD1 3.6Å; T271-Y276 HydrophobicContact CG2-CE1 3.9Å
272	N	50.6	Low	74.6	Confident	142 Å²	142	59.4 Å²	59.4	76%	0.759	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-7.8	-178.1	-72.2	-3.7	0	0	0	116.2	N251	N251-N272 VanDerWaalsContact CG-C 3.42Å; N251-N272 PolarHBondContact OD1-O 2.94Å; N251-N272 VanDerWaalsContact OD1-O 3.06Å
273	T	49	Very low	74.6	Confident	15 Å²	15	63.6 Å²	63.6	9%	0.092	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142	-12.5	-168.3	57.8	0	0	0	0	115	L205 A242 Y243 N251 T271	L205-T273 HydrophobicContact CD1-CG2 4.2Å; L205-T273 HydrophobicContact CD2-CG2 3.53Å; L205-T273 HydrophobicContact CG-CG2 4.43Å; A242-T273 WeakPolarHBondContact CB-O 3.17Å; Y243-T273 HydrophobicContact CE1-CG2 4.21Å; Y243-T273 WeakPolarHBondContact OH-CA 2.95Å; Y243-T273 WeakPolarHBondContact OH-CB 3.38Å; Y243-T273 WeakPolarHBondContact OH-CG2 3.19Å; Y243-T273 PolarHBondContact OH-O 2.86Å; N251-T273 PolarHBondContact OD1-N 2.95Å; T271-T273 PolarHBondContact O-N 3.16Å
274	S	57.4	Low	74.2	Confident	12 Å²	12	64.8 Å²	64.8	8%	0.084	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-169.4	-170	-156.9	0	0	0	0	110	E254 T271	E254-S274 WeakPolarHBondContact OE1-CA 3.2Å; E254-S274 WeakPolarHBondContact OE2-CA 3.5Å; T271-S274 CarbonylContact C-O 3.48Å; T271-S274 VanDerWaalsContact CA-O 3.3Å; T271-S274 WeakPolarHBondContact CA-O 3.49Å; T271-S274 VanDerWaalsContact CB-O 3.3Å; T271-S274 WeakPolarHBondContact CB-O 3.11Å; T271-S274 PolarHBondContact N-O 3.03Å; T271-S274 PolarHBondContact O-N 3.21Å; T271-S274 VanDerWaalsContact OG1-C 3.23Å; T271-S274 PolarHBondContact OG1-N 2.98Å; T271-S274 VanDerWaalsContact OG1-N 3.15Å; T271-S274 PolarHBondContact OG1-O 3.1Å
275	Y	65	Low	73.5	Confident	15 Å²	15	60.5 Å²	60.5	6%	0.059	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.5	169.2	67.3	-81.1	0	0	0	110.7	E254 H260 E261 R269 I286 N287	E254-Y275 HydrophobicContact CB-CD1 3.6Å; E254-Y275 HydrophobicContact CB-CE1 4.35Å; E254-Y275 HydrophobicContact CB-CG 4.18Å; E254-Y275 HydrophobicContact CG-CD1 3.91Å; E254-Y275 PolarHBondContact OE2-N 3.04Å; H260-Y275 HydrophobicContact CB-CD1 4.23Å; H260-Y275 HydrophobicContact CB-CD2 3.61Å; H260-Y275 HydrophobicContact CB-CE1 4.11Å; H260-Y275 HydrophobicContact CB-CE2 3.48Å; H260-Y275 VanDerWaalsContact CB-CE2 3.48Å; H260-Y275 HydrophobicContact CB-CG 3.99Å; E261-Y275 PolarHBondContact N-OH 3.39Å; R269-Y275 CarbonylContact O-C 3.58Å; R269-Y275 VanDerWaalsContact O-CA 3.22Å; R269-Y275 WeakPolarHBondContact O-CA 3.3Å; R269-Y275 WeakPolarHBondContact O-CB 3.14Å; Y275-I286 HydrophobicContact CE2-CG2 4.42Å; Y275-I286 WeakPolarHBondContact O-CG1 3.38Å; Y275-N287 WeakPolarHBondContact CE2-OD1 3.02Å; Y275-N287 PolarHBondContact OH-OD1 3.18Å
276	Y	73.3	Confident	72.7	Confident	92 Å²	92	59.2 Å²	59.2	36%	0.361	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.7	160.1	69.6	-83.3	0	0	0	110.1	R269 T271 V278	R269-Y276 HydrophobicContact CB-CD1 4.09Å; R269-Y276 HydrophobicContact CB-CE1 3.62Å; R269-Y276 HydrophobicContact CB-CE2 4.1Å; R269-Y276 VanDerWaalsContact CD-CZ 3.48Å; R269-Y276 WeakPolarHBondContact CD-OH 3.33Å; R269-Y276 HydrophobicContact CG-CE2 4.45Å; R269-Y276 PolarHBondContact N-O 3.21Å; R269-Y276 PolarHBondContact NH1-OH 2.92Å; R269-Y276 PolarHBondContact O-N 3.29Å; T271-Y276 HydrophobicContact CG2-CD1 3.6Å; T271-Y276 HydrophobicContact CG2-CE1 3.9Å; Y276-V278 HydrophobicContact CE2-CG2 4.49Å
277	C	79.1	Confident	72.3	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.3	175.1	-49.9	0	0	0	0	109.7	C262 E267 C279 I286 C288	C262-C277 WeakPolarHBondContact CA-SG 3.12Å; C262-C277 HydrophobicContact CB-CB 3.76Å; C262-C277 WeakPolarHBondContact CB-SG 3.23Å; C262-C277 WeakPolarHBondContact SG-CB 3.49Å; C262-C277 CovalentContact SG-SG 2.01Å; C262-C277 PolarHBondContact SG-SG 2.85Å; E267-C277 CarbonylContact O-C 3.51Å; E267-C277 WeakPolarHBondContact O-CA 3.44Å; C277-C279 PolarHBondContact O-N 3.29Å; C277-C279 VanDerWaalsContact O-N 3.16Å; C277-C279 PolarHBondContact O-SG 3.28Å; C277-I286 WeakPolarHBondContact CB-O 3.46Å; C277-I286 PolarHBondContact N-O 2.76Å; C277-I286 PolarHBondContact SG-O 3.4Å; C277-C288 WeakPolarHBondContact CB-SG 3.21Å
278	V	80.3	Confident	71.9	Confident	54 Å²	54	53.5 Å²	53.5	33%	0.327	29%	0.292	S	S	.	.			trans	-73.9	105.2	168.6	-178.9	0	0	0	0	107.7	T266 E267 R269 Y276	T266-V278 WeakPolarHBondContact CB-O 3.48Å; E267-V278 HydrophobicContact CB-CB 4.06Å; E267-V278 HydrophobicContact CB-CG2 3.91Å; E267-V278 HydrophobicContact CG-CG2 4.33Å; E267-V278 PolarHBondContact O-N 2.91Å; R269-V278 HydrophobicContact CG-CG2 4.34Å; Y276-V278 HydrophobicContact CE2-CG2 4.49Å
279	C	80.5	Confident	71.7	Confident	37 Å²	37	57.3 Å²	57.3	25%	0.25	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-77.5	145.6	-178.2	-53	0	0	0	0	111.7	C277 R283 C288	C277-C279 PolarHBondContact O-N 3.29Å; C277-C279 VanDerWaalsContact O-N 3.16Å; C277-C279 PolarHBondContact O-SG 3.28Å; C279-R283 HydrophobicContact CB-CB 4.24Å; C279-R283 VanDerWaalsContact CB-O 3.24Å; C279-R283 WeakPolarHBondContact CB-O 3.01Å; C279-C288 WeakPolarHBondContact CA-SG 3.21Å; C279-C288 HydrophobicContact CB-CB 3.72Å; C279-C288 WeakPolarHBondContact CB-SG 3.41Å; C279-C288 PolarHBondContact N-SG 3.08Å; C279-C288 VanDerWaalsContact N-SG 3.44Å; C279-C288 WeakPolarHBondContact SG-CA 3.44Å; C279-C288 WeakPolarHBondContact SG-CB 3.24Å; C279-C288 CovalentContact SG-SG 2.03Å; C279-C288 PolarHBondContact SG-SG 2.88Å
280	A	83.1	Confident	71.7	Confident	66 Å²	66	57.8 Å²	57.8	55%	0.545	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.1	159.2	165.5	0	0	0	0	0	110	G282 R283	A280-G282 PolarHBondContact O-N 3.5Å; A280-R283 PolarHBondContact O-N 3.29Å
281	D	82.4	Confident	72.7	Confident	160 Å²	160	57.5 Å²	57.5	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	138.8	174.8	-61.1	-23.6	0	0	0	110.9
282	G	81.3	Confident	74	Confident	11 Å²	11	56.6 Å²	56.6	11%	0.113	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	1	-176.5	0	0	0	0	0	115.2	A280 V292 E294	A280-G282 PolarHBondContact O-N 3.5Å; G282-V292 PolarHBondContact O-N 2.86Å; G282-E294 WeakPolarHBondContact CA-OE1 3.36Å
283	R	83.6	Confident	75.6	Confident	104 Å²	104	52 Å²	52	39%	0.392	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.4	177.1	-66.2	-171.2	173.2	-178.8	1.4	113.4	C279 A280 C288 E290	C279-R283 HydrophobicContact CB-CB 4.24Å; C279-R283 VanDerWaalsContact CB-O 3.24Å; C279-R283 WeakPolarHBondContact CB-O 3.01Å; A280-R283 PolarHBondContact O-N 3.29Å; R283-C288 HydrophobicContact CB-CB 4.4Å; R283-C288 WeakPolarHBondContact CD-O 3.41Å; R283-E290 CarbonylContact C-O 3.3Å; R283-E290 WeakPolarHBondContact CA-O 3.19Å
284	T	77.6	Confident	77.4	Confident	66 Å²	66	52 Å²	52	41%	0.405	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	179.9	-178.7	-166.1	0	0	0	0	112.2	C288 T289 E290 V292	T284-C288 CarbonylContact O-C 3.6Å; T284-C288 VanDerWaalsContact O-CA 3.23Å; T284-C288 WeakPolarHBondContact O-CA 3.42Å; T284-T289 PolarHBondContact O-N 2.96Å; T284-E290 HydrophobicContact CG2-CB 3.65Å; T284-E290 PolarHBondContact N-O 2.71Å; T284-E290 WeakPolarHBondContact O-CB 3.07Å; T284-E290 PolarHBondContact O-N 2.91Å; T284-E290 VanDerWaalsContact O-N 3.1Å; T284-V292 HydrophobicContact CG2-CG2 3.88Å
285	G	70.5	Confident	78.8	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	30%	0.296	C	S	.	.	S	Bend	trans	87.6	164.9	-176.5	0	0	0	0	0	113.5	N287 C288	G285-N287 PolarHBondContact O-N 3.2Å; G285-N287 VanDerWaalsContact O-N 3.15Å; G285-C288 PolarHBondContact O-N 2.98Å
286	I	65.5	Low	79.6	Confident	60 Å²	60	60.6 Å²	60.6	31%	0.308	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.2	-175.4	-108.7	173.4	0	0	0	112.6	Q208 Y275 C277	Q208-I286 HydrophobicContact CB-CD1 4.3Å; Y275-I286 HydrophobicContact CE2-CG2 4.42Å; Y275-I286 WeakPolarHBondContact O-CG1 3.38Å; C277-I286 WeakPolarHBondContact CB-O 3.46Å; C277-I286 PolarHBondContact N-O 2.76Å; C277-I286 PolarHBondContact SG-O 3.4Å
287	N	76	Confident	80	Confident	24 Å²	24	62.7 Å²	62.7	13%	0.128	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.3	-178.7	-69.8	-17.2	0	0	0	113.5	E261 P263 Y275 G285 T289	E261-N287 PolarHBondContact OE2-ND2 2.76Å; P263-N287 VanDerWaalsContact CD-O 3.27Å; P263-N287 WeakPolarHBondContact CD-O 3.41Å; Y275-N287 WeakPolarHBondContact CE2-OD1 3.02Å; Y275-N287 PolarHBondContact OH-OD1 3.18Å; G285-N287 PolarHBondContact O-N 3.2Å; G285-N287 VanDerWaalsContact O-N 3.15Å; N287-T289 HydrophobicContact CB-CG2 3.87Å; N287-T289 PolarHBondContact O-N 3.47Å
288	C	78	Confident	80.2	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.014	37%	0.367	C	S	.	.	S	Bend	trans	54.9	34	-172.7	-48.7	0	0	0	0	113.8	P263 C277 C279 R283 T284 G285	P263-C288 HydrophobicContact CG-CB 4.07Å; C277-C288 WeakPolarHBondContact CB-SG 3.21Å; C279-C288 WeakPolarHBondContact CA-SG 3.21Å; C279-C288 HydrophobicContact CB-CB 3.72Å; C279-C288 WeakPolarHBondContact CB-SG 3.41Å; C279-C288 PolarHBondContact N-SG 3.08Å; C279-C288 VanDerWaalsContact N-SG 3.44Å; C279-C288 WeakPolarHBondContact SG-CA 3.44Å; C279-C288 WeakPolarHBondContact SG-CB 3.24Å; C279-C288 CovalentContact SG-SG 2.03Å; C279-C288 PolarHBondContact SG-SG 2.88Å; R283-C288 HydrophobicContact CB-CB 4.4Å; R283-C288 WeakPolarHBondContact CD-O 3.41Å; T284-C288 CarbonylContact O-C 3.6Å; T284-C288 VanDerWaalsContact O-CA 3.23Å; T284-C288 WeakPolarHBondContact O-CA 3.42Å; G285-C288 PolarHBondContact O-N 2.98Å
289	T	79.7	Confident	80.3	Confident	106 Å²	106	66 Å²	66	65%	0.65	38%	0.375	S	S	*	.			trans	-96.3	-14.9	179.1	49.3	0	0	0	0	112.8	T284 N287	T284-T289 PolarHBondContact O-N 2.96Å; N287-T289 HydrophobicContact CB-CG2 3.87Å; N287-T289 PolarHBondContact O-N 3.47Å
290	E	76.7	Confident	80.6	Confident	116 Å²	116	69 Å²	69	54%	0.542	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.9	179.3	-61.3	174.1	-173.2	0	0	109.1	R283 T284	R283-E290 CarbonylContact C-O 3.3Å; R283-E290 WeakPolarHBondContact CA-O 3.19Å; T284-E290 HydrophobicContact CG2-CB 3.65Å; T284-E290 PolarHBondContact N-O 2.71Å; T284-E290 WeakPolarHBondContact O-CB 3.07Å; T284-E290 PolarHBondContact O-N 2.91Å; T284-E290 VanDerWaalsContact O-N 3.1Å
291	D	84.2	Confident	80.9	Confident	55 Å²	55	74 Å²	74	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.7	176.7	-173.3	49.6	0	0	0	109.8	N310 N312 G313	D291-N310 PolarHBondContact OD2-ND2 3.16Å; D291-N310 PolarHBondContact OD2-OD1 2.76Å; D291-N312 WeakPolarHBondContact OD1-CA 3.29Å; D291-G313 PolarHBondContact OD1-N 3.44Å
292	V	79.5	Confident	81.3	Confident	24 Å²	24	67.8 Å²	67.8	15%	0.145	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-92.5	118.7	168.6	176	0	0	0	0	107.2	G282 T284 E294	G282-V292 PolarHBondContact O-N 2.86Å; T284-V292 HydrophobicContact CG2-CG2 3.88Å; V292-E294 HydrophobicContact CG1-CG 4.42Å; V292-E294 VanDerWaalsContact O-CD 3.25Å; V292-E294 PolarHBondContact O-N 3.18Å; V292-E294 VanDerWaalsContact O-N 3.09Å
293	D	84.8	Confident	81.6	Confident	47 Å²	47	71.5 Å²	71.5	25%	0.251	39%	0.386	S	S	.	.			trans	-79.4	93.6	173.4	-165.1	-44.2	0	0	0	109.9	C295 E296 E297 N310	D293-C295 PolarHBondContact O-N 3.18Å; D293-C295 WeakPolarHBondContact OD1-CA 3.34Å; D293-C295 VanDerWaalsContact OD1-CB 3.27Å; D293-C295 WeakPolarHBondContact OD1-CB 3.39Å; D293-C295 PolarHBondContact OD1-N 3.38Å; D293-E296 HydrophobicContact CB-CB 4.08Å; D293-E296 HydrophobicContact CB-CG 4.25Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 PolarHBondContact OD1-N 2.92Å; D293-E297 PolarHBondContact O-N 3.29Å; D293-N310 VanDerWaalsContact CG-ND2 3.29Å; D293-N310 WeakPolarHBondContact OD2-CB 3.44Å; D293-N310 PolarHBondContact OD2-ND2 3.25Å
294	E	86.7	Confident	81.6	Confident	15 Å²	15	74 Å²	74	7%	0.07	41%	0.406	C	S	.	.	H	α-helix	trans	-65.6	-23.5	-178.6	-55.3	94.2	158.1	0	0	112.1	G282 V292 G298 T299 Y300 N310 S314 Y315	G282-E294 WeakPolarHBondContact CA-OE1 3.36Å; V292-E294 HydrophobicContact CG1-CG 4.42Å; V292-E294 VanDerWaalsContact O-CD 3.25Å; V292-E294 PolarHBondContact O-N 3.18Å; V292-E294 VanDerWaalsContact O-N 3.09Å; E294-G298 WeakPolarHBondContact O-CA 3.4Å; E294-G298 PolarHBondContact O-N 3.25Å; E294-T299 WeakPolarHBondContact CA-OG1 3.4Å; E294-T299 WeakPolarHBondContact CB-OG1 3.43Å; E294-T299 PolarHBondContact O-N 3.31Å; E294-T299 VanDerWaalsContact O-N 3.1Å; E294-Y300 WeakPolarHBondContact O-CD1 3.38Å; E294-N310 PolarHBondContact OE2-OD1 3.22Å; E294-S314 WeakPolarHBondContact OE1-CA 3.39Å; E294-Y315 HydrophobicContact CB-CD1 3.77Å; E294-Y315 HydrophobicContact CB-CE1 4.48Å; E294-Y315 HydrophobicContact CB-CG 4.29Å; E294-Y315 HydrophobicContact CG-CD1 3.85Å; E294-Y315 HydrophobicContact CG-CE1 4.49Å
295	C	86.6	Confident	82	Confident	36 Å²	36	77 Å²	77	24%	0.243	42%	0.415	C	S	.	.	H	α-helix	trans	-72.9	-37.1	176.8	-54.9	0	0	0	0	111.9	D293 C308 K309 N310	D293-C295 PolarHBondContact O-N 3.18Å; D293-C295 WeakPolarHBondContact OD1-CA 3.34Å; D293-C295 VanDerWaalsContact OD1-CB 3.27Å; D293-C295 WeakPolarHBondContact OD1-CB 3.39Å; D293-C295 PolarHBondContact OD1-N 3.38Å; C295-C308 WeakPolarHBondContact CA-SG 3.44Å; C295-C308 HydrophobicContact CB-CB 3.85Å; C295-C308 WeakPolarHBondContact CB-SG 3.2Å; C295-C308 WeakPolarHBondContact SG-CB 3.43Å; C295-C308 CovalentContact SG-SG 2.04Å; C295-C308 PolarHBondContact SG-SG 3.2Å; C295-K309 VanDerWaalsContact SG-C 3.54Å; C295-K309 PolarHBondContact SG-N 3.02Å; C295-K309 VanDerWaalsContact SG-N 3.44Å; C295-N310 PolarHBondContact SG-N 3.45Å
296	E	83	Confident	82.9	Confident	170 Å²	170	76.7 Å²	76.7	79%	0.794	41%	0.41	S	S	*	.	H	α-helix	trans	-74.7	-40.8	172.9	-71.7	-164.2	161.8	0	0	112.2	D293 G298	D293-E296 HydrophobicContact CB-CB 4.08Å; D293-E296 HydrophobicContact CB-CG 4.25Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 PolarHBondContact OD1-N 2.92Å; E296-G298 VanDerWaalsContact C-N 3.26Å; E296-G298 PolarHBondContact O-N 3.15Å
297	E	81.4	Confident	84.1	Confident	136 Å²	136	78.6 Å²	78.6	64%	0.636	42%	0.424	S	S	*	.	H	α-helix	trans	-72	-20.6	177	-70.5	-158.9	158.7	0	0	113.2	D293 T299	D293-E297 PolarHBondContact O-N 3.29Å; E297-T299 VanDerWaalsContact C-N 3.34Å; E297-T299 HydrophobicContact CB-CG2 4.11Å
298	G	83.1	Confident	84.9	Confident	49 Å²	49	78.6 Å²	78.6	51%	0.505	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	22.8	-177.8	0	0	0	0	0	113.8	E294 E296	E294-G298 WeakPolarHBondContact O-CA 3.4Å; E294-G298 PolarHBondContact O-N 3.25Å; E296-G298 VanDerWaalsContact C-N 3.26Å; E296-G298 PolarHBondContact O-N 3.15Å
299	T	82	Confident	85.7	Confident	81 Å²	81	84.8 Å²	84.8	50%	0.497	45%	0.452	S	S	.	.			trans	-89.9	-0.3	179.7	50.5	0	0	0	0	113.2	E294 E297	E294-T299 WeakPolarHBondContact CA-OG1 3.4Å; E294-T299 WeakPolarHBondContact CB-OG1 3.43Å; E294-T299 PolarHBondContact O-N 3.31Å; E294-T299 VanDerWaalsContact O-N 3.1Å; E297-T299 VanDerWaalsContact C-N 3.34Å; E297-T299 HydrophobicContact CB-CG2 4.11Å
300	Y	88.1	Confident	86.3	Confident	98 Å²	98	81.6 Å²	81.6	38%	0.384	43%	0.431	S	S	.	.			trans	-70	142.7	178.5	65	-90.1	0	0	0	113.5	E294 C302 C308	E294-Y300 WeakPolarHBondContact O-CD1 3.38Å; Y300-C302 HydrophobicContact CD2-CB 3.57Å; Y300-C302 HydrophobicContact CE2-CB 3.98Å; Y300-C308 VanDerWaalsContact CB-SG 3.57Å; Y300-C308 HydrophobicContact CD1-CB 4.03Å; Y300-C308 HydrophobicContact CD2-CB 3.93Å; Y300-C308 HydrophobicContact CE1-CB 4.25Å; Y300-C308 HydrophobicContact CE2-CB 4.16Å; Y300-C308 HydrophobicContact CG-CB 3.87Å; Y300-C308 VanDerWaalsContact CG-SG 3.55Å
301	E	89.2	Confident	87	Confident	173 Å²	173	78.1 Å²	78.1	81%	0.808	42%	0.418	S	S	*	.			trans	-105.1	68.8	174.1	-65.1	-173.9	172.5	0	0	110.6	Y315	E301-Y315 PolarHBondContact N-OH 3.38Å
302	C	89.2	Confident	87.2	Confident	28 Å²	28	81.3 Å²	81.3	19%	0.189	44%	0.435	C	S	.	.			trans	-98.2	148.6	176.8	-67.3	0	0	0	0	111.7	Y300 S306 C317	Y300-C302 HydrophobicContact CD2-CB 3.57Å; Y300-C302 HydrophobicContact CE2-CB 3.98Å; C302-S306 WeakPolarHBondContact CB-OG 3.37Å; C302-C317 WeakPolarHBondContact CA-SG 2.88Å; C302-C317 HydrophobicContact CB-CB 3.83Å; C302-C317 WeakPolarHBondContact CB-SG 3.31Å; C302-C317 VanDerWaalsContact SG-CA 3.59Å; C302-C317 WeakPolarHBondContact SG-CB 3.27Å; C302-C317 CovalentContact SG-SG 2.04Å; C302-C317 PolarHBondContact SG-SG 3.08Å
303	S	87.5	Confident	87.6	Confident	90 Å²	90	81.1 Å²	81.1	63%	0.629	44%	0.438	S	S	*	.			trans	-63.1	150.3	170.9	-76.6	0	0	0	0	110.7	H305 S306	S303-H305 PolarHBondContact O-N 3.38Å; S303-S306 PolarHBondContact N-OG 3.13Å; S303-S306 PolarHBondContact O-N 3.48Å; S303-S306 PolarHBondContact O-OG 2.89Å
304	I	84.8	Confident	88	Confident	157 Å²	157	81.6 Å²	81.6	81%	0.805	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.3	-175.1	-164.5	166.6	0	0	0	114.6
305	H	85.6	Confident	88.3	Confident	127 Å²	127	83.9 Å²	83.9	59%	0.588	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-0.4	179.1	-61.5	-52	0	0	0	114.1	S303 P320	S303-H305 PolarHBondContact O-N 3.38Å; H305-P320 WeakPolarHBondContact O-CD 3.27Å; H305-P320 WeakPolarHBondContact O-CG 2.84Å
306	S	89.5	Confident	88.6	Confident	17 Å²	17	88.7 Å²	88.7	12%	0.119	47%	0.47	C	S	.	.	S	Bend	trans	-102.3	150.5	-179.7	59.1	0	0	0	0	111.7	C302 S303 V318	C302-S306 WeakPolarHBondContact CB-OG 3.37Å; S303-S306 PolarHBondContact N-OG 3.13Å; S303-S306 PolarHBondContact O-N 3.48Å; S303-S306 PolarHBondContact O-OG 2.89Å; S306-V318 CarbonylContact C-O 3.53Å; S306-V318 VanDerWaalsContact CA-O 3.3Å; S306-V318 WeakPolarHBondContact CA-O 3.33Å; S306-V318 WeakPolarHBondContact CB-O 3.36Å
307	T	90.9	Very high	89	Confident	99 Å²	99	83 Å²	83	61%	0.607	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.7	178.5	-53.5	0	0	0	0	109.8	V318	T307-V318 PolarHBondContact N-O 2.72Å; T307-V318 PolarHBondContact O-N 2.83Å
308	C	93.1	Very high	89.5	Confident	25 Å²	25	80 Å²	80	17%	0.169	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.3	173.6	-173.2	0	0	0	0	110.3	C295 Y300	C295-C308 WeakPolarHBondContact CA-SG 3.44Å; C295-C308 HydrophobicContact CB-CB 3.85Å; C295-C308 WeakPolarHBondContact CB-SG 3.2Å; C295-C308 WeakPolarHBondContact SG-CB 3.43Å; C295-C308 CovalentContact SG-SG 2.04Å; C295-C308 PolarHBondContact SG-SG 3.2Å; Y300-C308 VanDerWaalsContact CB-SG 3.57Å; Y300-C308 HydrophobicContact CD1-CB 4.03Å; Y300-C308 HydrophobicContact CD2-CB 3.93Å; Y300-C308 HydrophobicContact CE1-CB 4.25Å; Y300-C308 HydrophobicContact CE2-CB 4.16Å; Y300-C308 HydrophobicContact CG-CB 3.87Å; Y300-C308 VanDerWaalsContact CG-SG 3.55Å
309	K	93.4	Very high	89.8	Confident	131 Å²	131	80.1 Å²	80.1	57%	0.57	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.2	170.5	-178.6	177.7	-180	177.3	0	108.9	C295 K316 V318	C295-K309 VanDerWaalsContact SG-C 3.54Å; C295-K309 PolarHBondContact SG-N 3.02Å; C295-K309 VanDerWaalsContact SG-N 3.44Å; K309-K316 PolarHBondContact N-O 3.24Å; K309-K316 PolarHBondContact O-N 3Å; K309-V318 HydrophobicContact CB-CG2 4.16Å
310	N	92.7	Very high	89.9	Confident	40 Å²	40	78.6 Å²	78.6	21%	0.214	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143.9	177	-175.4	25.6	0	0	0	111.2	D291 D293 E294 C295 S314	D291-N310 PolarHBondContact OD2-ND2 3.16Å; D291-N310 PolarHBondContact OD2-OD1 2.76Å; D293-N310 VanDerWaalsContact CG-ND2 3.29Å; D293-N310 WeakPolarHBondContact OD2-CB 3.44Å; D293-N310 PolarHBondContact OD2-ND2 3.25Å; E294-N310 PolarHBondContact OE2-OD1 3.22Å; C295-N310 PolarHBondContact SG-N 3.45Å; N310-S314 PolarHBondContact OD1-O 2.65Å
311	T	91.7	Very high	89.7	Confident	42 Å²	42	80.2 Å²	80.2	26%	0.258	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153	173.7	60.9	0	0	0	0	109.6	G313 S314 K316	T311-G313 PolarHBondContact O-N 2.96Å; T311-S314 CarbonylContact C-O 3.58Å; T311-S314 WeakPolarHBondContact CA-O 3.24Å; T311-S314 WeakPolarHBondContact CB-O 3.42Å; T311-S314 PolarHBondContact N-O 2.62Å; T311-S314 CarbonylContact O-C 3.48Å; T311-S314 PolarHBondContact O-N 3.4Å; T311-S314 VanDerWaalsContact OG1-C 3.26Å; T311-S314 PolarHBondContact OG1-O 3.13Å; T311-K316 HydrophobicContact CG2-CD 4.17Å; T311-K316 HydrophobicContact CG2-CG 4.08Å
312	N	89.2	Confident	89.4	Confident	122 Å²	122	76.1 Å²	76.1	65%	0.652	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	110.2	-177.3	-175.8	-1	0	0	0	112.2	D291	D291-N312 WeakPolarHBondContact OD1-CA 3.29Å
313	G	87.1	Confident	88.7	Confident	20 Å²	20	80.7 Å²	80.7	21%	0.206	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	9.3	-177.7	0	0	0	0	0	115.6	D291 T311	D291-G313 PolarHBondContact OD1-N 3.44Å; T311-G313 PolarHBondContact O-N 2.96Å
314	S	92.4	Very high	87.9	Confident	58 Å²	58	86 Å²	86	41%	0.406	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	177.3	179.9	-159.9	0	0	0	0	112.2	E294 N310 T311	E294-S314 WeakPolarHBondContact OE1-CA 3.39Å; N310-S314 PolarHBondContact OD1-O 2.65Å; T311-S314 CarbonylContact C-O 3.58Å; T311-S314 WeakPolarHBondContact CA-O 3.24Å; T311-S314 WeakPolarHBondContact CB-O 3.42Å; T311-S314 PolarHBondContact N-O 2.62Å; T311-S314 CarbonylContact O-C 3.48Å; T311-S314 PolarHBondContact O-N 3.4Å; T311-S314 VanDerWaalsContact OG1-C 3.26Å; T311-S314 PolarHBondContact OG1-O 3.13Å
315	Y	93.2	Very high	88.1	Confident	62 Å²	62	82.5 Å²	82.5	24%	0.243	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	161.6	170.3	63.9	-81.4	0	0	0	112.4	E294 E301	E294-Y315 HydrophobicContact CB-CD1 3.77Å; E294-Y315 HydrophobicContact CB-CE1 4.48Å; E294-Y315 HydrophobicContact CB-CG 4.29Å; E294-Y315 HydrophobicContact CG-CD1 3.85Å; E294-Y315 HydrophobicContact CG-CE1 4.49Å; E301-Y315 PolarHBondContact N-OH 3.38Å
316	K	92.8	Very high	88.2	Confident	138 Å²	138	80.1 Å²	80.1	60%	0.6	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.2	170.6	-69.7	-174	179.1	-179	0	110.8	K309 T311	K309-K316 PolarHBondContact N-O 3.24Å; K309-K316 PolarHBondContact O-N 3Å; T311-K316 HydrophobicContact CG2-CD 4.17Å; T311-K316 HydrophobicContact CG2-CG 4.08Å
317	C	93.2	Very high	88.1	Confident	50 Å²	50	83.6 Å²	83.6	34%	0.338	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.2	169.9	-51.3	0	0	0	0	109.6	C302	C302-C317 WeakPolarHBondContact CA-SG 2.88Å; C302-C317 HydrophobicContact CB-CB 3.83Å; C302-C317 WeakPolarHBondContact CB-SG 3.31Å; C302-C317 VanDerWaalsContact SG-CA 3.59Å; C302-C317 WeakPolarHBondContact SG-CB 3.27Å; C302-C317 CovalentContact SG-SG 2.04Å; C302-C317 PolarHBondContact SG-SG 3.08Å
318	V	91	Very high	88	Confident	73 Å²	73	82.7 Å²	82.7	44%	0.442	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.3	176.6	-177.2	0	0	0	0	108.9	S306 T307 K309	S306-V318 CarbonylContact C-O 3.53Å; S306-V318 VanDerWaalsContact CA-O 3.3Å; S306-V318 WeakPolarHBondContact CA-O 3.33Å; S306-V318 WeakPolarHBondContact CB-O 3.36Å; T307-V318 PolarHBondContact N-O 2.72Å; T307-V318 PolarHBondContact O-N 2.83Å; K309-V318 HydrophobicContact CB-CG2 4.16Å
319	C	88.9	Confident	87.6	Confident	51 Å²	51	86.3 Å²	86.3	35%	0.345	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-80.6	140.6	173.6	-65.4	0	0	0	0	110.9	F323	C319-F323 HydrophobicContact CB-CB 4.17Å; C319-F323 WeakPolarHBondContact CB-O 3.48Å
320	P	85.4	Confident	87.3	Confident	49 Å²	49	83.3 Å²	83.3	32%	0.318	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-63.6	156.6	171.2	23.7	-30.3	0	0	0	110.9	H305 G322 F323	H305-P320 WeakPolarHBondContact O-CD 3.27Å; H305-P320 WeakPolarHBondContact O-CG 2.84Å; P320-G322 PolarHBondContact O-N 2.73Å; P320-F323 HydrophobicContact CB-CD2 4.49Å; P320-F323 HydrophobicContact CG-CB 4.5Å; P320-F323 HydrophobicContact CG-CD2 3.79Å; P320-F323 HydrophobicContact CG-CE2 4.37Å; P320-F323 HydrophobicContact CG-CG 4.33Å; P320-F323 PolarHBondContact O-N 3.06Å; P320-F323 VanDerWaalsContact O-N 3.12Å
321	P	83.3	Confident	86.9	Confident	133 Å²	133	86.4 Å²	86.4	86%	0.864	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.3	-179.7	-22.6	30.9	0	0	0	111.9
322	G	83.5	Confident	86.5	Confident	86 Å²	86	89.8 Å²	89.8	89%	0.887	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-3.1	-179.2	0	0	0	0	0	115.4	P320	P320-G322 PolarHBondContact O-N 2.73Å
323	F	74.4	Confident	86.3	Confident	125 Å²	125	87.2 Å²	87.2	55%	0.548	54%	0.536	S	S	.	.			trans	-112.8	139.2	171.5	-65.9	-97.8	0	0	0	109.8	C319 P320	C319-F323 HydrophobicContact CB-CB 4.17Å; C319-F323 WeakPolarHBondContact CB-O 3.48Å; P320-F323 HydrophobicContact CB-CD2 4.49Å; P320-F323 HydrophobicContact CG-CB 4.5Å; P320-F323 HydrophobicContact CG-CD2 3.79Å; P320-F323 HydrophobicContact CG-CE2 4.37Å; P320-F323 HydrophobicContact CG-CG 4.33Å; P320-F323 PolarHBondContact O-N 3.06Å; P320-F323 VanDerWaalsContact O-N 3.12Å
324	T	70.3	Confident	86.2	Confident	201 Å²	201	93.3 Å²	93.3	100%	1.233	57%	0.566	S	S	*	*			trans	-128	0	176.9	50.4	0	0	0	0	111.3

Retrieved 324 of 324 residues in 1203.1 ms (Link to these results)

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