A0A077ZGL2_TRITR Loading...

Glucose induced degradation protein 4

AlphaFold DB , UniProt , Accession A0A077ZGL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	36	Very low	245 Å²	245	163.8 Å²	163.8	100%	1.207	86%	0.855	S	S	*	*				0	120.4	0	-134	-169.8	-72.8	0	0	106.5
2	A	40.2	Very low	36.2	Very low	95 Å²	95	160.9 Å²	160.9	79%	0.785	85%	0.849	S	S	*	*			trans	57.1	112.1	167.4	0	0	0	0	0	119.3
3	E	34.5	Very low	36.3	Very low	180 Å²	180	159.2 Å²	159.2	84%	0.841	84%	0.841	S	S	*	*			trans	-56.9	141.2	162.1	-64	158	136.4	0	0	111.6
4	T	37.1	Very low	36.4	Very low	142 Å²	142	151 Å²	151	87%	0.871	81%	0.813	S	S	*	*			trans	-122.5	98.2	158.4	0.4	0	0	0	0	107.8	E6	T4-E6 PolarHBondContact O-N 3.48Å
5	T	39	Very low	36.4	Very low	113 Å²	113	151.7 Å²	151.7	69%	0.693	81%	0.814	S	S	*	*			trans	-80.2	97.8	178.4	-42.3	0	0	0	0	109.1	Q7	T5-Q7 PolarHBondContact O-N 2.92Å
6	E	36.6	Very low	36.5	Very low	194 Å²	194	155.1 Å²	155.1	91%	0.907	81%	0.814	S	S	*	*			trans	-77.8	101.8	170.5	-85.5	-175.9	152.7	0	0	110.4	T4 K8	T4-E6 PolarHBondContact O-N 3.48Å; E6-K8 PolarHBondContact O-N 3.27Å
7	Q	34.4	Very low	36.5	Very low	177 Å²	177	152.8 Å²	152.8	83%	0.827	81%	0.81	S	S	*	*			trans	-73.9	111.9	169.7	-74.7	-179.2	-15.1	0	0	110.2	T5 K9	T5-Q7 PolarHBondContact O-N 2.92Å; Q7-K9 PolarHBondContact O-N 3.23Å; Q7-K9 VanDerWaalsContact O-N 3.15Å
8	K	35.1	Very low	36.5	Very low	198 Å²	198	153.6 Å²	153.6	86%	0.861	81%	0.814	S	S	*	*			trans	-54	110.5	168.6	-88.9	177.2	171.5	178.5	0	110.9	E6 N10	E6-K8 PolarHBondContact O-N 3.27Å; K8-N10 PolarHBondContact O-N 3.35Å
9	K	34.4	Very low	36.6	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.896	81%	0.81	S	S	*	*			trans	-73.6	110.9	161.8	-89.8	178.6	173.8	176.4	0	108.9	Q7 S11	Q7-K9 PolarHBondContact O-N 3.23Å; Q7-K9 VanDerWaalsContact O-N 3.15Å; K9-S11 PolarHBondContact O-N 3.12Å
10	N	34.8	Very low	36.6	Very low	151 Å²	151	150.7 Å²	150.7	81%	0.807	80%	0.803	S	S	*	*			trans	-65.9	108.6	167.5	-80.2	-17.3	0	0	0	109.2	K8 V12	K8-N10 PolarHBondContact O-N 3.35Å; N10-V12 PolarHBondContact O-N 2.68Å
11	S	35	Very low	36.7	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	80%	0.803	S	S	*	*			trans	-75	109.8	165.1	-167.8	0	0	0	0	107.8	K9 D13	K9-S11 PolarHBondContact O-N 3.12Å; S11-D13 PolarHBondContact O-N 3.31Å
12	V	37.5	Very low	37.1	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	79%	0.786	S	S	*	*			trans	-83.2	99.5	170.3	176.7	0	0	0	0	106.3	N10 G14	N10-V12 PolarHBondContact O-N 2.68Å; V12-G14 PolarHBondContact O-N 3.32Å
13	D	38.6	Very low	37.2	Very low	139 Å²	139	152.2 Å²	152.2	74%	0.743	79%	0.787	S	S	*	*			trans	-68.8	79.3	172	-72.3	-24	0	0	0	109.4	S11 I15	S11-D13 PolarHBondContact O-N 3.31Å; D13-I15 PolarHBondContact O-N 3.38Å; D13-I15 VanDerWaalsContact O-N 3.11Å
14	G	36.7	Very low	37.5	Very low	44 Å²	44	148.2 Å²	148.2	45%	0.454	78%	0.777	S	S	.	*			trans	-70	98.3	167.2	0	0	0	0	0	109.2	V12 Y16	V12-G14 PolarHBondContact O-N 3.32Å; G14-Y16 VanDerWaalsContact C-N 3.27Å; G14-Y16 WeakPolarHBondContact O-CD2 3.31Å; G14-Y16 PolarHBondContact O-N 3.25Å
15	I	37	Very low	37.8	Very low	162 Å²	162	145.7 Å²	145.7	83%	0.831	76%	0.763	S	S	*	*			trans	-68.1	87.6	170.9	-58.6	169.9	0	0	0	107.5	D13	D13-I15 PolarHBondContact O-N 3.38Å; D13-I15 VanDerWaalsContact O-N 3.11Å
16	Y	37.2	Very low	38.1	Very low	206 Å²	206	148.9 Å²	148.9	81%	0.808	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-77.9	121.4	165.9	-69.3	-78.4	0	0	0	108	G14 L18	G14-Y16 VanDerWaalsContact C-N 3.27Å; G14-Y16 WeakPolarHBondContact O-CD2 3.31Å; G14-Y16 PolarHBondContact O-N 3.25Å; Y16-L18 PolarHBondContact O-N 3.35Å
17	P	36.7	Very low	38.4	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.2	177.4	23.5	-29.7	0	0	0	109.1	I19	P17-I19 PolarHBondContact O-N 3.15Å; P17-I19 VanDerWaalsContact O-N 3.12Å
18	L	37.5	Very low	39	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-53.4	117.7	177.2	-67.1	168.1	0	0	0	108.5	Y16 P20	Y16-L18 PolarHBondContact O-N 3.35Å; L18-P20 WeakPolarHBondContact O-CD 3.3Å; L18-P20 VanDerWaalsContact O-N 3.08Å
19	I	38.1	Very low	39.9	Very low	147 Å²	147	138.2 Å²	138.2	75%	0.754	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.4	117.6	168.8	-61.4	169.8	0	0	0	105.5	P17	P17-I19 PolarHBondContact O-N 3.15Å; P17-I19 VanDerWaalsContact O-N 3.12Å
20	P	36.4	Very low	41.5	Very low	101 Å²	101	140.3 Å²	140.3	66%	0.656	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56.9	143.2	179.7	20.7	-29.5	0	0	0	108.5	L18 R22	L18-P20 WeakPolarHBondContact O-CD 3.3Å; L18-P20 VanDerWaalsContact O-N 3.08Å; P20-R22 PolarHBondContact O-N 3.21Å
21	P	39.2	Very low	43.5	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-51.2	120.7	-176	-21.3	30.2	0	0	0	108.4	E23	P21-E23 PolarHBondContact O-N 3.37Å
22	R	42.3	Very low	45.9	Very low	222 Å²	222	131.4 Å²	131.4	84%	0.838	69%	0.687	S	S	*	*			trans	-54.2	111	167.9	-76	178.5	176.2	172.9	-2.1	105.3	P20 P24	P20-R22 PolarHBondContact O-N 3.21Å; R22-P24 VanDerWaalsContact O-N 3.17Å
23	E	43.9	Very low	48.4	Very low	176 Å²	176	125.5 Å²	125.5	82%	0.822	65%	0.651	S	S	*	*			trans	-48.2	128.1	162.7	-90.4	-176.3	154	0	0	106.1	P21 P25	P21-E23 PolarHBondContact O-N 3.37Å; E23-P25 VanDerWaalsContact O-CD 3.27Å; E23-P25 WeakPolarHBondContact O-CD 3.37Å
24	P	39	Very low	51	Low	97 Å²	97	122.2 Å²	122.2	63%	0.63	63%	0.629	S	S	*	*			trans	-54.6	115.4	-173.2	15.9	-25.3	0	0	0	107	R22 F26	R22-P24 VanDerWaalsContact O-N 3.17Å; P24-F26 PolarHBondContact O-N 3.39Å
25	P	45.5	Very low	53.7	Low	88 Å²	88	122.9 Å²	122.9	57%	0.571	63%	0.627	S	S	*	*	S	Bend	trans	-61.4	140.5	173.5	28.7	-30.6	0	0	0	104.4	E23	E23-P25 VanDerWaalsContact O-CD 3.27Å; E23-P25 WeakPolarHBondContact O-CD 3.37Å
26	F	44.5	Very low	56.3	Low	181 Å²	181	116.9 Å²	116.9	79%	0.794	61%	0.605	S	S	*	*			trans	77.6	54.6	178.5	-28.4	-67.7	0	0	0	114.5	P24 V28	P24-F26 PolarHBondContact O-N 3.39Å; F26-V28 PolarHBondContact O-N 3.44Å
27	L	43.4	Very low	59	Low	150 Å²	150	107.1 Å²	107.1	79%	0.785	57%	0.566	S	S	*	*			trans	-56.5	104.4	137.9	-73.3	177.7	0	0	0	105.8	P29	L27-P29 VanDerWaalsContact O-CD 3.24Å; L27-P29 WeakPolarHBondContact O-CD 3.32Å
28	V	46	Very low	61.8	Low	126 Å²	126	105 Å²	105	76%	0.764	54%	0.543	S	S	*	.			trans	-51	117.5	173.4	-171.8	0	0	0	0	105.7	F26 R30	F26-V28 PolarHBondContact O-N 3.44Å; V28-R30 PolarHBondContact O-N 3.26Å
29	P	54.6	Low	64.7	Low	68 Å²	68	97 Å²	97	44%	0.442	50%	0.502	S	S	.	.			trans	-52.5	121.8	-178.9	-27.5	35.1	0	0	0	108.2	L27 S31 Y34	L27-P29 VanDerWaalsContact O-CD 3.24Å; L27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-S31 WeakPolarHBondContact CB-O 3.25Å; P29-S31 PolarHBondContact O-N 3.33Å; P29-Y34 HydrophobicContact CB-CD1 3.95Å; P29-Y34 HydrophobicContact CB-CG 4.44Å; P29-Y34 HydrophobicContact CG-CD1 3.88Å; P29-Y34 HydrophobicContact CG-CG 4.11Å
30	R	67	Low	67.6	Low	250 Å²	250	92.3 Å²	92.3	94%	0.943	48%	0.479	S	S	*	.	S	Bend	trans	-61.4	-10.8	176.2	-69.5	-169.2	-175	-169.6	3.6	112.1	V28	V28-R30 PolarHBondContact O-N 3.26Å
31	S	77.2	Confident	70.5	Confident	17 Å²	17	88.2 Å²	88.2	12%	0.119	46%	0.456	C	S	.	.	S	Bend	trans	-138.3	150.3	175.2	60.1	0	0	0	0	110.4	P29 L33	P29-S31 WeakPolarHBondContact CB-O 3.25Å; P29-S31 PolarHBondContact O-N 3.33Å; S31-L33 PolarHBondContact O-N 2.84Å; S31-L33 VanDerWaalsContact O-N 3.08Å
32	L	85.8	Confident	73.3	Confident	49 Å²	49	86.1 Å²	86.1	26%	0.257	44%	0.435	S	S	.	.	S	Bend	trans	-72.5	6.1	172.7	-63.1	169.9	0	0	0	113.7	Y34 S37 F39 H199	L32-Y34 HydrophobicContact CD2-CE1 4.24Å; L32-Y34 PolarHBondContact O-N 2.9Å; L32-S37 VanDerWaalsContact O-CB 3.26Å; L32-S37 WeakPolarHBondContact O-CB 3.48Å; L32-S37 PolarHBondContact O-OG 2.82Å; L32-F39 WeakPolarHBondContact O-CZ 3.4Å; L32-H199 HydrophobicContact CB-CB 4.5Å; L32-H199 HydrophobicContact CD1-CB 3.9Å
33	L	90.9	Very high	75.9	Confident	4 Å²	4	76 Å²	76	2%	0.021	40%	0.397	C	S	.	.			trans	-87	95	167.1	-166.7	66.5	0	0	0	109.8	S31 I56 V59 L66 I90 I142 M144 L173	S31-L33 PolarHBondContact O-N 2.84Å; S31-L33 VanDerWaalsContact O-N 3.08Å; L33-I56 HydrophobicContact CD1-CG1 4.38Å; L33-V59 HydrophobicContact CG-CG1 4.46Å; L33-V59 HydrophobicContact CG-CG2 4.23Å; L33-L66 HydrophobicContact CD1-CD2 4.32Å; L33-L66 HydrophobicContact CD2-CD2 4.35Å; L33-I90 HydrophobicContact CD2-CD1 4.31Å; L33-I142 HydrophobicContact CB-CD1 4.38Å; L33-I142 HydrophobicContact CD2-CD1 4.13Å; L33-I142 HydrophobicContact CD2-CG2 4.28Å; L33-M144 HydrophobicContact CD1-CE 4.46Å; L33-M144 HydrophobicContact CD1-SD 4.18Å; L33-M144 HydrophobicContact CD2-SD 3.78Å; L33-L173 HydrophobicContact CB-CD2 3.6Å; L33-L173 HydrophobicContact CD1-CD2 4.21Å; L33-L173 HydrophobicContact CG-CD2 4.33Å
34	Y	91.9	Very high	78.4	Confident	70 Å²	70	72.6 Å²	72.6	28%	0.275	38%	0.38	S	S	.	.	S	Bend	trans	-145.4	158.3	175.9	56.9	-94.3	0	0	0	109.7	P29 L32 G36 S37 H199	P29-Y34 HydrophobicContact CB-CD1 3.95Å; P29-Y34 HydrophobicContact CB-CG 4.44Å; P29-Y34 HydrophobicContact CG-CD1 3.88Å; P29-Y34 HydrophobicContact CG-CG 4.11Å; L32-Y34 HydrophobicContact CD2-CE1 4.24Å; L32-Y34 PolarHBondContact O-N 2.9Å; Y34-G36 PolarHBondContact O-N 2.68Å; Y34-S37 WeakPolarHBondContact O-CB 3.42Å; Y34-S37 PolarHBondContact O-N 2.72Å; Y34-S37 PolarHBondContact O-OG 3.11Å; Y34-H199 AromaticContact CZ-NE2 3.96Å; Y34-H199 PolarHBondContact OH-NE2 3.13Å
35	S	93.4	Very high	80.8	Confident	59 Å²	59	69.6 Å²	69.6	41%	0.413	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.4	176.7	-56.1	0	0	0	0	110.7	Y58 V59	S35-Y58 WeakPolarHBondContact OG-CA 3.02Å; S35-V59 PolarHBondContact OG-N 2.93Å
36	G	92.1	Very high	82.6	Confident	36 Å²	36	73.6 Å²	73.6	37%	0.371	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-3.7	-174.2	0	0	0	0	0	114.5	Y34 I56	Y34-G36 PolarHBondContact O-N 2.68Å; G36-I56 VanDerWaalsContact CA-O 3.31Å; G36-I56 WeakPolarHBondContact CA-O 3.38Å; G36-I56 PolarHBondContact N-O 3.26Å
37	S	94	Very high	84.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.369	C	S	.	.			trans	-69.7	142.8	179.1	71.6	0	0	0	0	112.2	L32 Y34 F39 I56	L32-S37 VanDerWaalsContact O-CB 3.26Å; L32-S37 WeakPolarHBondContact O-CB 3.48Å; L32-S37 PolarHBondContact O-OG 2.82Å; Y34-S37 WeakPolarHBondContact O-CB 3.42Å; Y34-S37 PolarHBondContact O-N 2.72Å; Y34-S37 PolarHBondContact O-OG 3.11Å; S37-F39 VanDerWaalsContact OG-CE2 3.29Å; S37-F39 WeakPolarHBondContact OG-CE2 3.37Å; S37-I56 PolarHBondContact O-N 2.83Å
38	R	96.1	Very high	86.8	Confident	70 Å²	70	65.4 Å²	65.4	26%	0.264	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.7	-173.6	-166.5	176.3	85.6	84.8	-5.8	110.8	V40 E53 V54 I55 H199 V200	R38-V40 VanDerWaalsContact NH1-CG1 3.28Å; R38-E53 WeakPolarHBondContact CD-OE1 3.26Å; R38-E53 HydrophobicContact CG-CG 4.48Å; R38-E53 WeakPolarHBondContact CG-OE1 3.46Å; R38-E53 IonicContact CZ-OE1 3.01Å; R38-E53 IonicContact NE-OE1 2.55Å; R38-E53 IonicContact NH1-OE1 3.45Å; R38-E53 PolarHBondContact NH1-OE1 2.88Å; R38-V54 CarbonylContact C-O 3.55Å; R38-V54 WeakPolarHBondContact CA-O 3.25Å; R38-I55 HydrophobicContact CG-CG1 4.15Å; R38-H199 PolarHBondContact O-CD2 3.43Å; R38-V200 PolarHBondContact O-N 3.18Å
39	F	98.1	Very high	89.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.4	-179.7	-59.2	-98	0	0	0	110.1	L32 S37 E53 V54 I56 L173 V180 L197 T198 H199	L32-F39 WeakPolarHBondContact O-CZ 3.4Å; S37-F39 VanDerWaalsContact OG-CE2 3.29Å; S37-F39 WeakPolarHBondContact OG-CE2 3.37Å; F39-E53 CarbonylContact O-C 3.55Å; F39-E53 WeakPolarHBondContact O-CA 3.25Å; F39-V54 HydrophobicContact CB-CB 4.44Å; F39-V54 PolarHBondContact N-O 3.14Å; F39-V54 PolarHBondContact O-N 2.9Å; F39-I56 HydrophobicContact CD2-CG1 4.28Å; F39-I56 HydrophobicContact CE2-CG1 3.88Å; F39-L173 HydrophobicContact CE1-CD1 4.09Å; F39-L173 HydrophobicContact CZ-CD1 4.45Å; F39-V180 HydrophobicContact CD1-CG2 3.69Å; F39-V180 HydrophobicContact CE1-CG2 3.78Å; F39-V180 HydrophobicContact CG-CG2 4.32Å; F39-V180 HydrophobicContact CZ-CG2 4.46Å; F39-L197 HydrophobicContact CB-CB 3.9Å; F39-L197 HydrophobicContact CB-CD1 4.2Å; F39-T198 CarbonylContact C-O 3.59Å; F39-T198 VanDerWaalsContact CA-O 3.26Å; F39-T198 WeakPolarHBondContact CA-O 3.24Å; F39-H199 HydrophobicContact CD1-CB 3.94Å; F39-H199 HydrophobicContact CE1-CB 3.73Å
40	V	98.3	Very high	91.1	Very high	47 Å²	47	61.4 Å²	61.4	29%	0.285	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.5	177.7	-61.5	0	0	0	0	111	R38 V52 E53 L197 T198 V200	R38-V40 VanDerWaalsContact NH1-CG1 3.28Å; V40-V52 CarbonylContact C-O 3.58Å; V40-V52 WeakPolarHBondContact CA-O 3.35Å; V40-E53 HydrophobicContact CG1-CB 4.32Å; V40-E53 HydrophobicContact CG1-CG 4.3Å; V40-L197 CarbonylContact O-C 3.48Å; V40-L197 WeakPolarHBondContact O-CA 3.43Å; V40-T198 PolarHBondContact N-O 3.17Å; V40-T198 PolarHBondContact O-N 3.32Å; V40-T198 PolarHBondContact O-OG1 2.88Å; V40-V200 HydrophobicContact CB-CG2 4.17Å; V40-V200 HydrophobicContact CG1-CG2 3.75Å; V40-V200 HydrophobicContact CG2-CG2 3.49Å; V40-V200 VanDerWaalsContact CG2-CG2 3.49Å
41	G	98.3	Very high	92.6	Very high	16 Å²	16	53.5 Å²	53.5	17%	0.165	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-135.3	175.5	0	0	0	0	0	110.7	V52 S196	G41-V52 PolarHBondContact N-O 3.13Å; G41-V52 PolarHBondContact O-N 3Å; G41-S196 CarbonylContact C-O 3.58Å; G41-S196 VanDerWaalsContact CA-O 3.29Å; G41-S196 WeakPolarHBondContact CA-O 3.4Å
42	H	98	Very high	93.6	Very high	80 Å²	80	53 Å²	53	37%	0.37	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.3	-169.1	-46.6	81.6	0	0	0	113.5	Y50 D51 S196	H42-Y50 CarbonylContact C-O 3.57Å; H42-Y50 WeakPolarHBondContact CA-O 3.33Å; H42-Y50 WeakPolarHBondContact CB-O 3.33Å; H42-D51 IonicContact CD2-OD1 2.83Å; H42-D51 PolarHBondContact CD2-OD1 3.28Å; H42-D51 IonicContact NE2-OD1 3.35Å; H42-D51 PolarHBondContact NE2-OD1 3.12Å; H42-S196 PolarHBondContact N-O 3.16Å; H42-S196 PolarHBondContact O-N 2.67Å
43	Q	96.9	Very high	94.2	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.3	162.1	177.9	167.4	-31.9	0	0	110	C49 Y50 V52 I72 Y169 S194 L195	Q43-C49 WeakPolarHBondContact O-CA 3.3Å; Q43-Y50 PolarHBondContact N-O 3.26Å; Q43-Y50 PolarHBondContact O-N 3.4Å; Q43-V52 HydrophobicContact CB-CG2 3.73Å; Q43-I72 HydrophobicContact CB-CD1 4.18Å; Q43-Y169 PolarHBondContact OE1-OH 2.99Å; Q43-S194 CarbonylContact C-O 3.58Å; Q43-S194 VanDerWaalsContact CA-O 3.27Å; Q43-S194 WeakPolarHBondContact CA-O 3.21Å; Q43-L195 HydrophobicContact CB-CD1 4.18Å
44	K	95.6	Very high	94.6	Very high	105 Å²	105	53.3 Å²	53.3	46%	0.457	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.6	-178.8	-62.5	176.8	-179.7	178	0	112.2	N48 C49 Q193 S194	K44-N48 VanDerWaalsContact CA-O 3.31Å; K44-N48 WeakPolarHBondContact CA-O 3.46Å; K44-C49 HydrophobicContact CG-CB 4.19Å; K44-Q193 CarbonylContact O-C 3.52Å; K44-Q193 WeakPolarHBondContact O-CA 3.15Å; K44-S194 PolarHBondContact N-O 2.88Å; K44-S194 PolarHBondContact O-N 3.36Å
45	S	89.8	Confident	94.8	Very high	34 Å²	34	52.6 Å²	52.6	24%	0.238	30%	0.299	C	S	.	.			trans	-122.3	-169.3	168.7	65.4	0	0	0	0	110	G47 N48	S45-G47 PolarHBondContact O-N 2.9Å; S45-N48 PolarHBondContact N-O 3.17Å
46	K	82.6	Confident	95	Very high	172 Å²	172	49.8 Å²	49.8	75%	0.748	28%	0.279	S	S	*	.	S	Bend	trans	-60.8	67.6	-179.8	-92.3	176.1	-173.6	130.2	0	114.6	E190	K46-E190 WeakPolarHBondContact CD-OE1 3.36Å; K46-E190 WeakPolarHBondContact CE-OE1 3.43Å; K46-E190 WeakPolarHBondContact CG-OE1 3.29Å; K46-E190 IonicContact NZ-OE1 2.67Å; K46-E190 PolarHBondContact NZ-OE1 3.28Å
47	G	85.5	Confident	95.3	Very high	75 Å²	75	52.8 Å²	52.8	77%	0.773	28%	0.283	S	S	*	.	S	Bend	trans	112.8	-13.2	176	0	0	0	0	0	114.5	S45	S45-G47 PolarHBondContact O-N 2.9Å
48	N	91.9	Very high	95.4	Very high	84 Å²	84	58.7 Å²	58.7	45%	0.449	31%	0.306	S	S	.	.			trans	-102.9	146.5	178.1	-56.9	-35.9	0	0	0	111.2	K44 S45 Y50	K44-N48 VanDerWaalsContact CA-O 3.31Å; K44-N48 WeakPolarHBondContact CA-O 3.46Å; S45-N48 PolarHBondContact N-O 3.17Å; N48-Y50 HydrophobicContact CB-CD2 4.45Å; N48-Y50 HydrophobicContact CB-CE1 4.35Å; N48-Y50 HydrophobicContact CB-CE2 3.54Å; N48-Y50 VanDerWaalsContact CB-CZ 3.49Å; N48-Y50 WeakPolarHBondContact CB-OH 3.41Å; N48-Y50 PolarHBondContact ND2-OH 2.69Å
49	C	95.1	Very high	95.4	Very high	71 Å²	71	55.8 Å²	55.8	48%	0.48	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.9	176.2	-173.5	0	0	0	0	107.5	Q43 K44	Q43-C49 WeakPolarHBondContact O-CA 3.3Å; K44-C49 HydrophobicContact CG-CB 4.19Å
50	Y	95.6	Very high	95.3	Very high	39 Å²	39	57.2 Å²	57.2	15%	0.153	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.4	-176.8	-54.7	-75.2	0	0	0	109.3	H42 Q43 N48 I72 D73 N74 L75	H42-Y50 CarbonylContact C-O 3.57Å; H42-Y50 WeakPolarHBondContact CA-O 3.33Å; H42-Y50 WeakPolarHBondContact CB-O 3.33Å; Q43-Y50 PolarHBondContact N-O 3.26Å; Q43-Y50 PolarHBondContact O-N 3.4Å; N48-Y50 HydrophobicContact CB-CD2 4.45Å; N48-Y50 HydrophobicContact CB-CE1 4.35Å; N48-Y50 HydrophobicContact CB-CE2 3.54Å; N48-Y50 VanDerWaalsContact CB-CZ 3.49Å; N48-Y50 WeakPolarHBondContact CB-OH 3.41Å; N48-Y50 PolarHBondContact ND2-OH 2.69Å; Y50-I72 HydrophobicContact CD2-CD1 4.4Å; Y50-I72 HydrophobicContact CG-CD1 4.23Å; Y50-I72 HydrophobicContact CG-CG1 4.46Å; Y50-D73 WeakPolarHBondContact CD1-O 3.31Å; Y50-N74 VanDerWaalsContact CE1-O 3.26Å; Y50-N74 WeakPolarHBondContact CE1-O 3.2Å; Y50-L75 HydrophobicContact CD1-CD1 4.32Å; Y50-L75 HydrophobicContact CD2-CD1 4Å; Y50-L75 HydrophobicContact CE1-CD1 4.03Å; Y50-L75 HydrophobicContact CE2-CD1 3.66Å; Y50-L75 HydrophobicContact CG-CD1 4.3Å
51	D	97.7	Very high	95	Very high	84 Å²	84	60.8 Å²	60.8	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136	172.9	-67.3	-33.7	0	0	0	109.2	H42 I72 D73	H42-D51 IonicContact CD2-OD1 2.83Å; H42-D51 PolarHBondContact CD2-OD1 3.28Å; H42-D51 IonicContact NE2-OD1 3.35Å; H42-D51 PolarHBondContact NE2-OD1 3.12Å; D51-I72 WeakPolarHBondContact O-CA 3.46Å; D51-D73 HydrophobicContact CB-CB 4.39Å; D51-D73 PolarHBondContact O-N 2.99Å
52	V	98.3	Very high	94.6	Very high	6 Å²	6	66.4 Å²	66.4	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.1	-178.1	177.3	0	0	0	0	110.4	V40 G41 Q43 V54 L70 V71 I72 L195 L197	V40-V52 CarbonylContact C-O 3.58Å; V40-V52 WeakPolarHBondContact CA-O 3.35Å; G41-V52 PolarHBondContact N-O 3.13Å; G41-V52 PolarHBondContact O-N 3Å; Q43-V52 HydrophobicContact CB-CG2 3.73Å; V52-V54 HydrophobicContact CG1-CG2 4.11Å; V52-L70 HydrophobicContact CG1-CD2 4.27Å; V52-L70 HydrophobicContact CG1-CG 4.13Å; V52-V71 CarbonylContact C-O 3.58Å; V52-V71 VanDerWaalsContact CA-O 3.25Å; V52-V71 WeakPolarHBondContact CA-O 3.32Å; V52-I72 HydrophobicContact CG2-CB 4.2Å; V52-I72 HydrophobicContact CG2-CD1 3.96Å; V52-I72 HydrophobicContact CG2-CG1 3.88Å; V52-L195 HydrophobicContact CB-CD1 4.27Å; V52-L195 HydrophobicContact CG1-CD1 3.98Å; V52-L195 HydrophobicContact CG2-CD1 4.23Å; V52-L197 HydrophobicContact CB-CD2 3.97Å; V52-L197 HydrophobicContact CG1-CD2 3.86Å
53	E	98.2	Very high	94.6	Very high	60 Å²	60	66 Å²	66	28%	0.28	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.8	167.7	171.7	169.6	-149.9	0	0	110	R38 F39 V40 I55 V71	R38-E53 WeakPolarHBondContact CD-OE1 3.26Å; R38-E53 HydrophobicContact CG-CG 4.48Å; R38-E53 WeakPolarHBondContact CG-OE1 3.46Å; R38-E53 IonicContact CZ-OE1 3.01Å; R38-E53 IonicContact NE-OE1 2.55Å; R38-E53 IonicContact NH1-OE1 3.45Å; R38-E53 PolarHBondContact NH1-OE1 2.88Å; F39-E53 CarbonylContact O-C 3.55Å; F39-E53 WeakPolarHBondContact O-CA 3.25Å; V40-E53 HydrophobicContact CG1-CB 4.32Å; V40-E53 HydrophobicContact CG1-CG 4.3Å; E53-I55 HydrophobicContact CG-CG1 4.31Å; E53-V71 HydrophobicContact CB-CB 4.22Å; E53-V71 PolarHBondContact N-O 2.74Å; E53-V71 PolarHBondContact O-N 2.9Å
54	V	98.5	Very high	94.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.8	175	172.8	0	0	0	0	109.4	R38 F39 V52 I56 Y69 L70 F86 W146 L197	R38-V54 CarbonylContact C-O 3.55Å; R38-V54 WeakPolarHBondContact CA-O 3.25Å; F39-V54 HydrophobicContact CB-CB 4.44Å; F39-V54 PolarHBondContact N-O 3.14Å; F39-V54 PolarHBondContact O-N 2.9Å; V52-V54 HydrophobicContact CG1-CG2 4.11Å; V54-I56 HydrophobicContact CG1-CD1 3.89Å; V54-Y69 WeakPolarHBondContact CA-O 3.27Å; V54-L70 HydrophobicContact CG2-CB 4.32Å; V54-L70 HydrophobicContact CG2-CD1 4.28Å; V54-L70 HydrophobicContact CG2-CG 4.03Å; V54-F86 HydrophobicContact CG1-CE1 3.94Å; V54-F86 HydrophobicContact CG1-CZ 3.85Å; V54-W146 HydrophobicContact CG1-CH2 3.95Å; V54-W146 HydrophobicContact CG1-CZ3 3.94Å; V54-W146 HydrophobicContact CG2-CZ3 4.09Å; V54-L197 HydrophobicContact CB-CD1 4.02Å; V54-L197 HydrophobicContact CG2-CD1 3.58Å
55	I	97.6	Very high	94.6	Very high	55 Å²	55	64.7 Å²	64.7	28%	0.282	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.8	174.6	-59.8	162.8	0	0	0	107.6	R38 E53 Q57 G68 Y69	R38-I55 HydrophobicContact CG-CG1 4.15Å; E53-I55 HydrophobicContact CG-CG1 4.31Å; I55-Q57 PolarHBondContact O-N 3.31Å; I55-G68 CarbonylContact O-C 3.59Å; I55-G68 WeakPolarHBondContact O-CA 3.34Å; I55-Y69 PolarHBondContact N-O 3.23Å; I55-Y69 PolarHBondContact O-N 3.01Å
56	I	97.8	Very high	95	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	108	173.6	-54.5	-57.2	0	0	0	107.7	L33 G36 S37 F39 V54 V59 L66 F86 W146	L33-I56 HydrophobicContact CD1-CG1 4.38Å; G36-I56 VanDerWaalsContact CA-O 3.31Å; G36-I56 WeakPolarHBondContact CA-O 3.38Å; G36-I56 PolarHBondContact N-O 3.26Å; S37-I56 PolarHBondContact O-N 2.83Å; F39-I56 HydrophobicContact CD2-CG1 4.28Å; F39-I56 HydrophobicContact CE2-CG1 3.88Å; V54-I56 HydrophobicContact CG1-CD1 3.89Å; I56-V59 HydrophobicContact CG2-CG2 3.44Å; I56-V59 VanDerWaalsContact CG2-CG2 3.44Å; I56-L66 HydrophobicContact CD1-CD1 4.21Å; I56-F86 HydrophobicContact CD1-CZ 4.03Å; I56-W146 HydrophobicContact CD1-CH2 4.47Å; I56-W146 HydrophobicContact CD1-CZ2 4.19Å
57	Q	96.7	Very high	95.8	Very high	98 Å²	98	56.3 Å²	56.3	46%	0.458	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-43	-177	-175.8	60.5	62.6	0	0	111.8	I55 C67 Y69	I55-Q57 PolarHBondContact O-N 3.31Å; Q57-C67 PolarHBondContact N-O 2.92Å; Q57-Y69 HydrophobicContact CB-CE2 4.46Å; Q57-Y69 HydrophobicContact CG-CE2 4.47Å
58	Y	96.7	Very high	96.4	Very high	124 Å²	124	52.8 Å²	52.8	49%	0.486	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.9	-177.8	-178.3	-113	0	0	0	111.3	S35 D60 L66 C67	S35-Y58 WeakPolarHBondContact OG-CA 3.02Å; Y58-D60 HydrophobicContact CD1-CB 4.43Å; Y58-D60 HydrophobicContact CE1-CB 3.72Å; Y58-L66 CarbonylContact O-C 3.5Å; Y58-L66 WeakPolarHBondContact O-CA 3.31Å; Y58-L66 VanDerWaalsContact O-CB 3.31Å; Y58-L66 WeakPolarHBondContact O-CB 3.35Å; Y58-C67 PolarHBondContact N-O 2.94Å; Y58-C67 PolarHBondContact O-N 3.4Å
59	V	96.4	Very high	96.7	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.5	173.7	-173.4	0	0	0	0	109.5	L33 S35 I56 H61 L66 I90	L33-V59 HydrophobicContact CG-CG1 4.46Å; L33-V59 HydrophobicContact CG-CG2 4.23Å; S35-V59 PolarHBondContact OG-N 2.93Å; I56-V59 HydrophobicContact CG2-CG2 3.44Å; I56-V59 VanDerWaalsContact CG2-CG2 3.44Å; V59-H61 VanDerWaalsContact CG1-CE1 3.46Å; V59-H61 WeakPolarHBondContact CG1-CE1 3.3Å; V59-L66 HydrophobicContact CG2-CB 4.31Å; V59-I90 HydrophobicContact CG1-CD1 4.24Å
60	D	95.8	Very high	96.8	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	95.9	173.6	-168.3	-27.6	0	0	0	109.9	Y58 V62 N63 S64 E65	Y58-D60 HydrophobicContact CD1-CB 4.43Å; Y58-D60 HydrophobicContact CE1-CB 3.72Å; D60-V62 VanDerWaalsContact C-N 3.28Å; D60-V62 PolarHBondContact O-N 3.17Å; D60-V62 WeakPolarHBondContact OD1-CA 3.29Å; D60-V62 WeakPolarHBondContact OD1-CB 3.4Å; D60-V62 PolarHBondContact OD1-N 2.82Å; D60-N63 HydrophobicContact CB-CB 4.32Å; D60-N63 PolarHBondContact OD1-N 2.97Å; D60-N63 PolarHBondContact OD2-ND2 3.43Å; D60-S64 WeakPolarHBondContact O-CA 3.31Å; D60-S64 PolarHBondContact O-N 2.85Å; D60-E65 CarbonylContact C-O 3.59Å; D60-E65 WeakPolarHBondContact CA-O 3.37Å; D60-E65 PolarHBondContact N-O 3.48Å; D60-E65 PolarHBondContact O-N 3.45Å
61	H	91.1	Very high	96.9	Very high	123 Å²	123	48.3 Å²	48.3	57%	0.569	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.4	178	-64.7	-69.9	0	0	0	113.3	V59	V59-H61 VanDerWaalsContact CG1-CE1 3.46Å; V59-H61 WeakPolarHBondContact CG1-CE1 3.3Å
62	V	91.8	Very high	96.9	Very high	133 Å²	133	44.6 Å²	44.6	81%	0.806	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-43.2	179.6	178.2	0	0	0	0	109.7	D60	D60-V62 VanDerWaalsContact C-N 3.28Å; D60-V62 PolarHBondContact O-N 3.17Å; D60-V62 WeakPolarHBondContact OD1-CA 3.29Å; D60-V62 WeakPolarHBondContact OD1-CB 3.4Å; D60-V62 PolarHBondContact OD1-N 2.82Å
63	N	95.9	Very high	96.7	Very high	71 Å²	71	46.7 Å²	46.7	38%	0.38	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.8	178.8	-71.1	-61.7	0	0	0	113.8	D60 E65 K94	D60-N63 HydrophobicContact CB-CB 4.32Å; D60-N63 PolarHBondContact OD1-N 2.97Å; D60-N63 PolarHBondContact OD2-ND2 3.43Å; N63-E65 VanDerWaalsContact C-N 3.25Å; N63-E65 HydrophobicContact CB-CB 4.5Å; N63-E65 PolarHBondContact O-N 3.09Å; N63-K94 VanDerWaalsContact O-CD 3.25Å; N63-K94 WeakPolarHBondContact O-CD 3.27Å; N63-K94 PolarHBondContact O-NZ 2.56Å
64	S	96	Very high	96.3	Very high	24 Å²	24	49.2 Å²	49.2	17%	0.168	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.5	-174.3	-61	0	0	0	0	112.6	D60 I90 Y95	D60-S64 WeakPolarHBondContact O-CA 3.31Å; D60-S64 PolarHBondContact O-N 2.85Å; S64-I90 PolarHBondContact O-N 2.76Å; S64-Y95 WeakPolarHBondContact O-CD2 3.32Å; S64-Y95 WeakPolarHBondContact O-CE2 3.27Å
65	E	97.9	Very high	95.8	Very high	64 Å²	64	51.2 Å²	51.2	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.4	-176.2	-74.8	170.9	-152.1	0	0	110.9	D60 N63 G88 K94 Y95	D60-E65 CarbonylContact C-O 3.59Å; D60-E65 WeakPolarHBondContact CA-O 3.37Å; D60-E65 PolarHBondContact N-O 3.48Å; D60-E65 PolarHBondContact O-N 3.45Å; N63-E65 VanDerWaalsContact C-N 3.25Å; N63-E65 HydrophobicContact CB-CB 4.5Å; N63-E65 PolarHBondContact O-N 3.09Å; E65-G88 WeakPolarHBondContact CA-O 3.32Å; E65-K94 IonicContact OE1-NZ 2.71Å; E65-K94 PolarHBondContact OE1-NZ 3.11Å; E65-Y95 HydrophobicContact CG-CE2 3.74Å; E65-Y95 PolarHBondContact OE1-OH 2.77Å
66	L	98.3	Very high	95.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.4	171.1	64.1	98.2	0	0	0	110.4	L33 I56 Y58 V59 F86 K87 G88 I90 M144	L33-L66 HydrophobicContact CD1-CD2 4.32Å; L33-L66 HydrophobicContact CD2-CD2 4.35Å; I56-L66 HydrophobicContact CD1-CD1 4.21Å; Y58-L66 CarbonylContact O-C 3.5Å; Y58-L66 WeakPolarHBondContact O-CA 3.31Å; Y58-L66 VanDerWaalsContact O-CB 3.31Å; Y58-L66 WeakPolarHBondContact O-CB 3.35Å; V59-L66 HydrophobicContact CG2-CB 4.31Å; L66-F86 HydrophobicContact CD1-CE2 3.63Å; L66-F86 HydrophobicContact CD1-CZ 4.39Å; L66-K87 CarbonylContact O-C 3.58Å; L66-G88 PolarHBondContact N-O 3.43Å; L66-G88 PolarHBondContact O-N 3.12Å; L66-I90 HydrophobicContact CD2-CD1 4.24Å; L66-I90 HydrophobicContact CD2-CG1 3.89Å; L66-M144 HydrophobicContact CD2-SD 3.45Å; L66-M144 WeakPolarHBondContact CD2-SD 3.49Å
67	C	98.4	Very high	94.3	Very high	24 Å²	24	58.5 Å²	58.5	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.5	169.2	64	0	0	0	0	111	Q57 Y58 F85 F86	Q57-C67 PolarHBondContact N-O 2.92Å; Y58-C67 PolarHBondContact N-O 2.94Å; Y58-C67 PolarHBondContact O-N 3.4Å; C67-F85 HydrophobicContact CB-CE2 3.74Å; C67-F85 HydrophobicContact CB-CZ 3.53Å; C67-F86 VanDerWaalsContact CA-O 3.29Å; C67-F86 WeakPolarHBondContact CA-O 3.48Å; C67-F86 VanDerWaalsContact CB-O 3.31Å; C67-F86 WeakPolarHBondContact CB-O 3.43Å
68	G	98.3	Very high	93.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-172.9	-176.4	0	0	0	0	0	112.8	I55 F85 F86	I55-G68 CarbonylContact O-C 3.59Å; I55-G68 WeakPolarHBondContact O-CA 3.34Å; G68-F85 WeakPolarHBondContact O-CD2 3.41Å; G68-F86 VanDerWaalsContact C-CD1 3.46Å; G68-F86 PolarHBondContact N-O 2.79Å; G68-F86 VanDerWaalsContact O-CD1 3.25Å; G68-F86 WeakPolarHBondContact O-CD1 3.48Å; G68-F86 PolarHBondContact O-N 3.16Å
69	Y	98.2	Very high	92.9	Very high	76 Å²	76	57.6 Å²	57.6	30%	0.298	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.3	175.2	-60	-79.4	0	0	0	109.6	V54 I55 Q57 T83 T84 F85 V152	V54-Y69 WeakPolarHBondContact CA-O 3.27Å; I55-Y69 PolarHBondContact N-O 3.23Å; I55-Y69 PolarHBondContact O-N 3.01Å; Q57-Y69 HydrophobicContact CB-CE2 4.46Å; Q57-Y69 HydrophobicContact CG-CE2 4.47Å; Y69-T83 HydrophobicContact CD1-CG2 4.2Å; Y69-T84 CarbonylContact C-O 3.53Å; Y69-T84 VanDerWaalsContact CA-O 3.27Å; Y69-T84 WeakPolarHBondContact CA-O 3.14Å; Y69-F85 HydrophobicContact CD1-CB 4.28Å; Y69-F85 HydrophobicContact CD1-CD2 4.3Å; Y69-F85 HydrophobicContact CE1-CB 4.12Å; Y69-F85 AromaticContact CE1-CD2 3.85Å; Y69-F85 HydrophobicContact CE1-CD2 3.85Å; Y69-F85 HydrophobicContact CE1-CG 4.47Å; Y69-V152 HydrophobicContact CD1-CG2 4.36Å; Y69-V152 HydrophobicContact CE1-CG2 4.02Å
70	L	98.4	Very high	92.5	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.3	169	-174.8	157.5	0	0	0	106.9	V52 V54 I72 T83 T84 F86 Y169	V52-L70 HydrophobicContact CG1-CD2 4.27Å; V52-L70 HydrophobicContact CG1-CG 4.13Å; V54-L70 HydrophobicContact CG2-CB 4.32Å; V54-L70 HydrophobicContact CG2-CD1 4.28Å; V54-L70 HydrophobicContact CG2-CG 4.03Å; L70-I72 HydrophobicContact CD2-CB 4.09Å; L70-I72 HydrophobicContact CD2-CG2 4.28Å; L70-T83 CarbonylContact O-C 3.5Å; L70-T83 WeakPolarHBondContact O-CA 3.03Å; L70-T84 PolarHBondContact N-O 3.06Å; L70-T84 PolarHBondContact O-N 2.87Å; L70-T84 PolarHBondContact O-OG1 2.91Å; L70-F86 HydrophobicContact CB-CD1 4.06Å; L70-F86 HydrophobicContact CB-CE1 4.32Å; L70-Y169 HydrophobicContact CD1-CE2 4.21Å
71	V	97.5	Very high	92.4	Very high	22 Å²	22	62.8 Å²	62.8	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.7	176	-171.9	0	0	0	0	107.1	V52 E53 T81 M82 T83	V52-V71 CarbonylContact C-O 3.58Å; V52-V71 VanDerWaalsContact CA-O 3.25Å; V52-V71 WeakPolarHBondContact CA-O 3.32Å; E53-V71 HydrophobicContact CB-CB 4.22Å; E53-V71 PolarHBondContact N-O 2.74Å; E53-V71 PolarHBondContact O-N 2.9Å; V71-T81 HydrophobicContact CG1-CG2 3.57Å; V71-M82 CarbonylContact C-O 3.57Å; V71-M82 WeakPolarHBondContact CA-O 3.45Å; V71-T83 HydrophobicContact CG2-CG2 4.06Å
72	I	96.4	Very high	92.5	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.3	176.6	-173.9	164.2	0	0	0	109.9	Q43 Y50 D51 V52 L70 L75 M82	Q43-I72 HydrophobicContact CB-CD1 4.18Å; Y50-I72 HydrophobicContact CD2-CD1 4.4Å; Y50-I72 HydrophobicContact CG-CD1 4.23Å; Y50-I72 HydrophobicContact CG-CG1 4.46Å; D51-I72 WeakPolarHBondContact O-CA 3.46Å; V52-I72 HydrophobicContact CG2-CB 4.2Å; V52-I72 HydrophobicContact CG2-CD1 3.96Å; V52-I72 HydrophobicContact CG2-CG1 3.88Å; L70-I72 HydrophobicContact CD2-CB 4.09Å; L70-I72 HydrophobicContact CD2-CG2 4.28Å; I72-L75 HydrophobicContact CD1-CD1 4.34Å; I72-L75 HydrophobicContact CD1-CD2 4.29Å; I72-L75 HydrophobicContact CG1-CB 4.38Å; I72-L75 HydrophobicContact CG2-CB 4.45Å; I72-L75 HydrophobicContact CG2-CD2 4.16Å; I72-M82 HydrophobicContact CG2-CB 3.86Å; I72-M82 PolarHBondContact N-O 3.28Å; I72-M82 PolarHBondContact O-N 2.86Å
73	D	94.7	Very high	92.6	Very high	50 Å²	50	52.6 Å²	52.6	27%	0.267	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.1	-177	-69	-36.9	0	0	0	112.3	Y50 D51 L75 P80 T81	Y50-D73 WeakPolarHBondContact CD1-O 3.31Å; D51-D73 HydrophobicContact CB-CB 4.39Å; D51-D73 PolarHBondContact O-N 2.99Å; D73-L75 PolarHBondContact O-N 3.03Å; D73-L75 VanDerWaalsContact O-N 3.14Å; D73-P80 CarbonylContact C-O 3.27Å; D73-P80 WeakPolarHBondContact CA-O 3.49Å; D73-T81 WeakPolarHBondContact OD1-CB 3.35Å; D73-T81 VanDerWaalsContact OD1-CG2 3.25Å; D73-T81 WeakPolarHBondContact OD1-CG2 3.3Å; D73-T81 PolarHBondContact OD1-OG1 2.87Å
74	N	90.4	Very high	92.7	Very high	113 Å²	113	49.3 Å²	49.3	60%	0.604	26%	0.257	S	S	*	.	S	Bend	trans	56.7	25.2	174.4	-55.9	-59.2	0	0	0	114.7	Y50 T76 P80	Y50-N74 VanDerWaalsContact CE1-O 3.26Å; Y50-N74 WeakPolarHBondContact CE1-O 3.2Å; N74-T76 VanDerWaalsContact C-N 3.32Å; N74-P80 PolarHBondContact N-O 2.81Å
75	L	86.7	Confident	92.7	Very high	42 Å²	42	49.6 Å²	49.6	22%	0.22	26%	0.255	C	S	.	.	S	Bend	trans	-68.1	-34.9	175.4	-173.3	63.5	0	0	0	111.8	Y50 I72 D73 M82 A163	Y50-L75 HydrophobicContact CD1-CD1 4.32Å; Y50-L75 HydrophobicContact CD2-CD1 4Å; Y50-L75 HydrophobicContact CE1-CD1 4.03Å; Y50-L75 HydrophobicContact CE2-CD1 3.66Å; Y50-L75 HydrophobicContact CG-CD1 4.3Å; I72-L75 HydrophobicContact CD1-CD1 4.34Å; I72-L75 HydrophobicContact CD1-CD2 4.29Å; I72-L75 HydrophobicContact CG1-CB 4.38Å; I72-L75 HydrophobicContact CG2-CB 4.45Å; I72-L75 HydrophobicContact CG2-CD2 4.16Å; D73-L75 PolarHBondContact O-N 3.03Å; D73-L75 VanDerWaalsContact O-N 3.14Å; L75-M82 HydrophobicContact CB-SD 4.4Å; L75-M82 HydrophobicContact CD2-CE 4.11Å; L75-M82 HydrophobicContact CD2-SD 4.04Å; L75-A163 HydrophobicContact CD2-CB 3.62Å; L75-A163 HydrophobicContact CG-CB 4.01Å
76	T	83.4	Confident	92.8	Very high	15 Å²	15	46.6 Å²	46.6	9%	0.092	24%	0.241	C	C	.	.			trans	-138.2	153.6	179.6	73.2	0	0	0	0	110.4	N74 Y79 M82 I160 T161 A163	N74-T76 VanDerWaalsContact C-N 3.32Å; T76-Y79 CarbonylContact O-C 3.55Å; T76-Y79 VanDerWaalsContact O-O 3.14Å; T76-Y79 WeakPolarHBondContact OG1-CA 3.4Å; T76-Y79 WeakPolarHBondContact OG1-CB 3.42Å; T76-Y79 PolarHBondContact OG1-N 2.94Å; T76-Y79 PolarHBondContact OG1-O 2.83Å; T76-Y79 VanDerWaalsContact OG1-O 3.13Å; T76-M82 HydrophobicContact CG2-SD 4.03Å; T76-I160 HydrophobicContact CG2-CG2 3.89Å; T76-T161 WeakPolarHBondContact CG2-O 3.15Å; T76-A163 HydrophobicContact CG2-CB 3.51Å
77	E	82	Confident	92.8	Very high	193 Å²	193	51.8 Å²	51.8	90%	0.902	26%	0.263	S	S	*	.	S	Bend	trans	-69.4	-39.8	175.6	-65.9	-176.6	179.4	0	0	111.9
78	D	81.6	Confident	92.8	Very high	112 Å²	112	50.7 Å²	50.7	60%	0.599	26%	0.256	S	S	*	.	S	Bend	trans	-71.6	-29.9	-177.6	-64.5	-34	0	0	0	112.9
79	Y	81.3	Confident	92.8	Very high	91 Å²	91	51.6 Å²	51.6	36%	0.357	26%	0.26	S	S	.	.			trans	-125.8	85.6	176.8	-58.8	-93.1	0	0	0	108.8	T76 T81 M82 I160	T76-Y79 CarbonylContact O-C 3.55Å; T76-Y79 VanDerWaalsContact O-O 3.14Å; T76-Y79 WeakPolarHBondContact OG1-CA 3.4Å; T76-Y79 WeakPolarHBondContact OG1-CB 3.42Å; T76-Y79 PolarHBondContact OG1-N 2.94Å; T76-Y79 PolarHBondContact OG1-O 2.83Å; T76-Y79 VanDerWaalsContact OG1-O 3.13Å; Y79-T81 PolarHBondContact O-N 2.77Å; Y79-M82 HydrophobicContact CG-CG 4.42Å; Y79-I160 HydrophobicContact CD2-CG2 3.73Å; Y79-I160 HydrophobicContact CE2-CG2 4.07Å
80	P	88.3	Confident	92.7	Very high	73 Å²	73	49 Å²	49	47%	0.474	25%	0.252	S	S	.	.	S	Bend	trans	-64.4	-26.2	-177.8	25.2	-34.5	0	0	0	112.2	D73 N74	D73-P80 CarbonylContact C-O 3.27Å; D73-P80 WeakPolarHBondContact CA-O 3.49Å; N74-P80 PolarHBondContact N-O 2.81Å
81	T	92.9	Very high	92.5	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.7	169	-62	0	0	0	0	108.1	V71 D73 Y79	V71-T81 HydrophobicContact CG1-CG2 3.57Å; D73-T81 WeakPolarHBondContact OD1-CB 3.35Å; D73-T81 VanDerWaalsContact OD1-CG2 3.25Å; D73-T81 WeakPolarHBondContact OD1-CG2 3.3Å; D73-T81 PolarHBondContact OD1-OG1 2.87Å; Y79-T81 PolarHBondContact O-N 2.77Å
82	M	93.1	Very high	92.2	Very high	9 Å²	9	49 Å²	49	4%	0.044	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.6	174.8	-73.2	176.5	43.9	0	0	109.4	V71 I72 L75 T76 Y79 L151 I160 A163	V71-M82 CarbonylContact C-O 3.57Å; V71-M82 WeakPolarHBondContact CA-O 3.45Å; I72-M82 HydrophobicContact CG2-CB 3.86Å; I72-M82 PolarHBondContact N-O 3.28Å; I72-M82 PolarHBondContact O-N 2.86Å; L75-M82 HydrophobicContact CB-SD 4.4Å; L75-M82 HydrophobicContact CD2-CE 4.11Å; L75-M82 HydrophobicContact CD2-SD 4.04Å; T76-M82 HydrophobicContact CG2-SD 4.03Å; Y79-M82 HydrophobicContact CG-CG 4.42Å; M82-L151 HydrophobicContact CB-CD2 4.31Å; M82-L151 HydrophobicContact CE-CD2 4.2Å; M82-I160 HydrophobicContact CE-CD1 3.2Å; M82-I160 HydrophobicContact SD-CD1 3.95Å; M82-I160 HydrophobicContact SD-CG2 4.13Å; M82-A163 HydrophobicContact CE-CB 4.23Å; M82-A163 HydrophobicContact SD-CB 4.23Å
83	T	95.8	Very high	91.9	Very high	34 Å²	34	52.8 Å²	52.8	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.6	173	-58.7	0	0	0	0	109.7	Y69 L70 V71 L151 V152	Y69-T83 HydrophobicContact CD1-CG2 4.2Å; L70-T83 CarbonylContact O-C 3.5Å; L70-T83 WeakPolarHBondContact O-CA 3.03Å; V71-T83 HydrophobicContact CG2-CG2 4.06Å; T83-L151 CarbonylContact O-C 3.53Å; T83-L151 WeakPolarHBondContact O-CA 3.28Å; T83-L151 WeakPolarHBondContact O-CD2 3.39Å; T83-V152 HydrophobicContact CG2-CB 4.27Å; T83-V152 PolarHBondContact O-N 2.9Å
84	T	96.3	Very high	91.8	Very high	2 Å²	2	55 Å²	55	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.8	175.5	58.2	0	0	0	0	110.9	Y69 L70 E148 F150 L151 F165	Y69-T84 CarbonylContact C-O 3.53Å; Y69-T84 VanDerWaalsContact CA-O 3.27Å; Y69-T84 WeakPolarHBondContact CA-O 3.14Å; L70-T84 PolarHBondContact N-O 3.06Å; L70-T84 PolarHBondContact O-N 2.87Å; L70-T84 PolarHBondContact O-OG1 2.91Å; T84-E148 VanDerWaalsContact CB-OE1 3.3Å; T84-E148 WeakPolarHBondContact CB-OE1 3.06Å; T84-E148 VanDerWaalsContact CG2-OE1 3.27Å; T84-E148 WeakPolarHBondContact CG2-OE1 3.33Å; T84-E148 PolarHBondContact OG1-OE1 3.25Å; T84-F150 CarbonylContact C-O 3.36Å; T84-F150 VanDerWaalsContact CA-O 3.3Å; T84-F150 WeakPolarHBondContact CA-O 3.46Å; T84-L151 HydrophobicContact CG2-CD2 3.7Å; T84-L151 HydrophobicContact CG2-CG 4.41Å; T84-F165 HydrophobicContact CG2-CB 4.42Å; T84-F165 HydrophobicContact CG2-CG 4.45Å
85	F	97.8	Very high	92	Very high	30 Å²	30	51.6 Å²	51.6	13%	0.132	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.2	164.6	176.7	-99.7	0	0	0	109.3	C67 G68 Y69 K87 K149 F150 V152	C67-F85 HydrophobicContact CB-CE2 3.74Å; C67-F85 HydrophobicContact CB-CZ 3.53Å; G68-F85 WeakPolarHBondContact O-CD2 3.41Å; Y69-F85 HydrophobicContact CD1-CB 4.28Å; Y69-F85 HydrophobicContact CD1-CD2 4.3Å; Y69-F85 HydrophobicContact CE1-CB 4.12Å; Y69-F85 AromaticContact CE1-CD2 3.85Å; Y69-F85 HydrophobicContact CE1-CD2 3.85Å; Y69-F85 HydrophobicContact CE1-CG 4.47Å; F85-K87 HydrophobicContact CE1-CG 3.93Å; F85-K87 HydrophobicContact CZ-CG 4.37Å; F85-K149 HydrophobicContact CD1-CB 4.27Å; F85-K149 HydrophobicContact CD1-CG 4.38Å; F85-K149 PolarHBondContact O-N 3.18Å; F85-F150 HydrophobicContact CB-CD2 4.04Å; F85-F150 HydrophobicContact CB-CE1 4.15Å; F85-F150 HydrophobicContact CB-CE2 3.53Å; F85-F150 HydrophobicContact CB-CZ 3.59Å; F85-F150 HydrophobicContact CD1-CD1 4.38Å; F85-F150 AromaticContact CD1-CE1 3.55Å; F85-F150 HydrophobicContact CD1-CE1 3.55Å; F85-F150 HydrophobicContact CD1-CE2 4.38Å; F85-F150 AromaticContact CD1-CZ 3.55Å; F85-F150 HydrophobicContact CD1-CZ 3.55Å; F85-F150 HydrophobicContact CE1-CE1 4.31Å; F85-F150 HydrophobicContact CE1-CZ 4.4Å; F85-F150 HydrophobicContact CG-CE1 4.14Å; F85-F150 HydrophobicContact CG-CE2 4.14Å; F85-F150 AromaticContact CG-CZ 3.69Å; F85-F150 HydrophobicContact CG-CZ 3.69Å; F85-F150 PolarHBondContact N-O 3.49Å; F85-V152 HydrophobicContact CB-CG2 4.41Å
86	F	98.5	Very high	92.3	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.1	176.3	71.8	-91.8	0	0	0	112.4	V54 I56 L66 C67 G68 L70 W146 K147 E148	V54-F86 HydrophobicContact CG1-CE1 3.94Å; V54-F86 HydrophobicContact CG1-CZ 3.85Å; I56-F86 HydrophobicContact CD1-CZ 4.03Å; L66-F86 HydrophobicContact CD1-CE2 3.63Å; L66-F86 HydrophobicContact CD1-CZ 4.39Å; C67-F86 VanDerWaalsContact CA-O 3.29Å; C67-F86 WeakPolarHBondContact CA-O 3.48Å; C67-F86 VanDerWaalsContact CB-O 3.31Å; C67-F86 WeakPolarHBondContact CB-O 3.43Å; G68-F86 VanDerWaalsContact C-CD1 3.46Å; G68-F86 PolarHBondContact N-O 2.79Å; G68-F86 VanDerWaalsContact O-CD1 3.25Å; G68-F86 WeakPolarHBondContact O-CD1 3.48Å; G68-F86 PolarHBondContact O-N 3.16Å; L70-F86 HydrophobicContact CB-CD1 4.06Å; L70-F86 HydrophobicContact CB-CE1 4.32Å; F86-W146 HydrophobicContact CD2-CB 3.89Å; F86-W146 HydrophobicContact CD2-CD2 4.22Å; F86-W146 AromaticContact CD2-CG 3.87Å; F86-W146 HydrophobicContact CD2-CG 3.87Å; F86-W146 HydrophobicContact CE2-CB 4.26Å; F86-W146 AromaticContact CE2-CD2 3.69Å; F86-W146 HydrophobicContact CE2-CD2 3.69Å; F86-W146 AromaticContact CE2-CE2 3.98Å; F86-W146 HydrophobicContact CE2-CE3 4.16Å; F86-W146 AromaticContact CE2-CG 3.74Å; F86-W146 HydrophobicContact CE2-CG 3.74Å; F86-W146 HydrophobicContact CZ-CD2 4.17Å; F86-W146 HydrophobicContact CZ-CE3 4.23Å; F86-K147 WeakPolarHBondContact CA-O 3.28Å; F86-E148 HydrophobicContact CB-CG 4.21Å
87	K	98.4	Very high	92.9	Very high	115 Å²	115	49.8 Å²	49.8	50%	0.5	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.8	165.3	-69.5	-165.9	170.3	-165.9	0	109.5	L66 F85 K147 K149	L66-K87 CarbonylContact O-C 3.58Å; F85-K87 HydrophobicContact CE1-CG 3.93Å; F85-K87 HydrophobicContact CZ-CG 4.37Å; K87-K147 PolarHBondContact N-O 2.97Å; K87-K147 PolarHBondContact O-N 2.74Å; K87-K149 HydrophobicContact CG-CG 4.4Å
88	G	98.6	Very high	93.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.2	178.8	0	0	0	0	0	112.8	E65 L66 R145	E65-G88 WeakPolarHBondContact CA-O 3.32Å; L66-G88 PolarHBondContact N-O 3.43Å; L66-G88 PolarHBondContact O-N 3.12Å; G88-R145 CarbonylContact C-O 3.52Å; G88-R145 WeakPolarHBondContact CA-O 3.33Å
89	E	98.1	Very high	94.2	Very high	19 Å²	19	37 Å²	37	9%	0.089	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131	169.9	-65.4	175.9	172	0	0	108.7	Y95 K101 M144 R145	E89-Y95 HydrophobicContact CB-CD1 4.26Å; E89-Y95 HydrophobicContact CB-CD2 3.87Å; E89-Y95 HydrophobicContact CB-CE2 4.28Å; E89-Y95 HydrophobicContact CB-CG 3.86Å; E89-Y95 HydrophobicContact CG-CD1 4.01Å; E89-Y95 HydrophobicContact CG-CD2 4.12Å; E89-Y95 HydrophobicContact CG-CE1 3.99Å; E89-Y95 HydrophobicContact CG-CE2 4.1Å; E89-Y95 HydrophobicContact CG-CG 4.09Å; E89-K101 IonicContact OE1-NZ 3.78Å; E89-K101 PolarHBondContact OE1-NZ 2.84Å; E89-K101 IonicContact OE2-NZ 2.69Å; E89-K101 PolarHBondContact OE2-NZ 2.56Å; E89-M144 CarbonylContact O-C 3.46Å; E89-M144 WeakPolarHBondContact O-CA 3.04Å; E89-M144 VanDerWaalsContact O-CB 3.3Å; E89-M144 WeakPolarHBondContact O-CB 3.23Å; E89-R145 PolarHBondContact N-O 3.42Å; E89-R145 PolarHBondContact O-N 2.77Å; E89-R145 IonicContact OE2-CZ 2.61Å; E89-R145 IonicContact OE2-NE 3.59Å; E89-R145 PolarHBondContact OE2-NE 2.72Å; E89-R145 IonicContact OE2-NH2 3.75Å; E89-R145 PolarHBondContact OE2-NH2 2.98Å
90	I	96.1	Very high	94.8	Very high	22 Å²	22	42.4 Å²	42.4	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.1	174	-56.1	172.7	0	0	0	107.9	L33 V59 S64 L66 G92 I142 M144	L33-I90 HydrophobicContact CD2-CD1 4.31Å; V59-I90 HydrophobicContact CG1-CD1 4.24Å; S64-I90 PolarHBondContact O-N 2.76Å; L66-I90 HydrophobicContact CD2-CD1 4.24Å; L66-I90 HydrophobicContact CD2-CG1 3.89Å; I90-G92 PolarHBondContact O-N 2.89Å; I90-I142 HydrophobicContact CG2-CG2 3.92Å; I90-M144 HydrophobicContact CG1-CG 4.31Å; I90-M144 HydrophobicContact CG1-SD 4.48Å
91	I	94.2	Very high	95.2	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.082	21%	0.211	C	C	.	.			trans	-68.3	132.3	-177.5	-55.2	-56	0	0	0	110.1	Y95 F97 W113 Y133 F143 R145	I91-Y95 CarbonylContact C-O 3.56Å; I91-Y95 VanDerWaalsContact CA-O 3.23Å; I91-Y95 WeakPolarHBondContact CA-O 3.24Å; I91-Y95 WeakPolarHBondContact CG2-O 3.26Å; I91-F97 HydrophobicContact CB-CE1 4.5Å; I91-F97 HydrophobicContact CG2-CD1 3.84Å; I91-F97 HydrophobicContact CG2-CD2 3.96Å; I91-F97 HydrophobicContact CG2-CE1 3.73Å; I91-F97 HydrophobicContact CG2-CE2 3.85Å; I91-F97 HydrophobicContact CG2-CG 3.96Å; I91-F97 HydrophobicContact CG2-CZ 3.74Å; I91-W113 HydrophobicContact CD1-CH2 4.32Å; I91-W113 HydrophobicContact CD1-CZ2 4.08Å; I91-W113 HydrophobicContact CG1-CH2 3.96Å; I91-W113 HydrophobicContact CG1-CZ2 4.11Å; I91-Y133 HydrophobicContact CG2-CD1 4.46Å; I91-Y133 HydrophobicContact CG2-CE1 4.1Å; I91-F143 HydrophobicContact CB-CB 3.86Å; I91-F143 WeakPolarHBondContact CB-O 2.88Å; I91-F143 HydrophobicContact CG1-CB 3.75Å; I91-F143 WeakPolarHBondContact CG1-O 2.96Å; I91-F143 PolarHBondContact N-O 3.38Å; I91-R145 HydrophobicContact CD1-CG 4.48Å
92	G	92.1	Very high	95.3	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	20%	0.202	C	C	.	.	S	Bend	trans	174.4	-156.5	-176.1	0	0	0	0	0	110.5	I90 K94 Y95 Y133	I90-G92 PolarHBondContact O-N 2.89Å; G92-K94 VanDerWaalsContact C-N 3.33Å; G92-K94 PolarHBondContact O-N 2.66Å; G92-Y95 PolarHBondContact N-O 2.81Å; G92-Y95 CarbonylContact O-C 3.2Å; G92-Y95 PolarHBondContact O-N 2.71Å; G92-Y133 VanDerWaalsContact C-CD1 3.48Å; G92-Y133 WeakPolarHBondContact O-CD1 3.35Å
93	S	89.6	Confident	95.4	Very high	85 Å²	85	46.5 Å²	46.5	59%	0.594	22%	0.224	S	C	*	.	S	Bend	trans	-60.3	-37.1	-177.9	49.5	0	0	0	0	113.9
94	K	93.2	Very high	95.5	Very high	96 Å²	96	45.1 Å²	45.1	42%	0.417	22%	0.216	S	C	.	.	S	Bend	trans	-75.6	-45.5	176.8	-175.8	-179.2	171.6	-167.6	0	112.7	N63 E65 G92	N63-K94 VanDerWaalsContact O-CD 3.25Å; N63-K94 WeakPolarHBondContact O-CD 3.27Å; N63-K94 PolarHBondContact O-NZ 2.56Å; E65-K94 IonicContact OE1-NZ 2.71Å; E65-K94 PolarHBondContact OE1-NZ 3.11Å; G92-K94 VanDerWaalsContact C-N 3.33Å; G92-K94 PolarHBondContact O-N 2.66Å
95	Y	94.7	Very high	95.4	Very high	42 Å²	42	48.9 Å²	48.9	17%	0.165	24%	0.236	C	C	.	.	S	Bend	trans	-116.1	99.3	-178.3	-66.5	-62.7	0	0	0	109.7	S64 E65 E89 I91 G92	S64-Y95 WeakPolarHBondContact O-CD2 3.32Å; S64-Y95 WeakPolarHBondContact O-CE2 3.27Å; E65-Y95 HydrophobicContact CG-CE2 3.74Å; E65-Y95 PolarHBondContact OE1-OH 2.77Å; E89-Y95 HydrophobicContact CB-CD1 4.26Å; E89-Y95 HydrophobicContact CB-CD2 3.87Å; E89-Y95 HydrophobicContact CB-CE2 4.28Å; E89-Y95 HydrophobicContact CB-CG 3.86Å; E89-Y95 HydrophobicContact CG-CD1 4.01Å; E89-Y95 HydrophobicContact CG-CD2 4.12Å; E89-Y95 HydrophobicContact CG-CE1 3.99Å; E89-Y95 HydrophobicContact CG-CE2 4.1Å; E89-Y95 HydrophobicContact CG-CG 4.09Å; I91-Y95 CarbonylContact C-O 3.56Å; I91-Y95 VanDerWaalsContact CA-O 3.23Å; I91-Y95 WeakPolarHBondContact CA-O 3.24Å; I91-Y95 WeakPolarHBondContact CG2-O 3.26Å; G92-Y95 PolarHBondContact N-O 2.81Å; G92-Y95 CarbonylContact O-C 3.2Å; G92-Y95 PolarHBondContact O-N 2.71Å
96	G	93.3	Very high	95.3	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	25%	0.247	C	C	.	.			trans	-72	174.4	178.2	0	0	0	0	0	113.7	L98 Y133 R145	G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 PolarHBondContact O-N 2.84Å; G96-Y133 WeakPolarHBondContact CA-OH 3.29Å; G96-R145 PolarHBondContact O-NH1 2.63Å; G96-R145 PolarHBondContact O-NH2 2.58Å; G96-R145 VanDerWaalsContact O-NH2 3.16Å
97	F	94.7	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-68.1	-24.8	176.5	-76.7	-74	0	0	0	113.4	I91 T99 W113 F119 F123 F126 F131 Y133 F143	I91-F97 HydrophobicContact CB-CE1 4.5Å; I91-F97 HydrophobicContact CG2-CD1 3.84Å; I91-F97 HydrophobicContact CG2-CD2 3.96Å; I91-F97 HydrophobicContact CG2-CE1 3.73Å; I91-F97 HydrophobicContact CG2-CE2 3.85Å; I91-F97 HydrophobicContact CG2-CG 3.96Å; I91-F97 HydrophobicContact CG2-CZ 3.74Å; F97-T99 PolarHBondContact O-N 2.95Å; F97-W113 AromaticContact CD1-CD2 3.8Å; F97-W113 HydrophobicContact CD1-CD2 3.8Å; F97-W113 AromaticContact CD1-CE2 3.6Å; F97-W113 HydrophobicContact CD1-CE3 4.33Å; F97-W113 HydrophobicContact CD1-CG 4.07Å; F97-W113 AromaticContact CD1-CZ2 3.97Å; F97-W113 HydrophobicContact CD1-CZ2 3.97Å; F97-W113 AromaticContact CD1-NE1 3.76Å; F97-W113 HydrophobicContact CE1-CD2 4.26Å; F97-W113 HydrophobicContact CE1-CE3 4.37Å; F97-W113 PolarHBondContact O-NE1 2.92Å; F97-F119 HydrophobicContact CD1-CD2 4.04Å; F97-F119 AromaticContact CD1-CE2 3.46Å; F97-F119 HydrophobicContact CD1-CE2 3.46Å; F97-F119 VanDerWaalsContact CD1-CE2 3.46Å; F97-F119 HydrophobicContact CD1-CZ 4.44Å; F97-F119 HydrophobicContact CD2-CE2 4.16Å; F97-F119 AromaticContact CE1-CD2 3.54Å; F97-F119 HydrophobicContact CE1-CD2 3.54Å; F97-F119 AromaticContact CE1-CE2 3.4Å; F97-F119 HydrophobicContact CE1-CE2 3.4Å; F97-F119 VanDerWaalsContact CE1-CE2 3.4Å; F97-F119 HydrophobicContact CE2-CE2 4.11Å; F97-F119 AromaticContact CG-CE2 3.86Å; F97-F119 HydrophobicContact CG-CE2 3.86Å; F97-F119 AromaticContact CZ-CD2 3.89Å; F97-F119 HydrophobicContact CZ-CD2 3.89Å; F97-F119 AromaticContact CZ-CE2 3.75Å; F97-F119 HydrophobicContact CZ-CE2 3.75Å; F97-F123 HydrophobicContact CE2-CB 4.47Å; F97-F123 HydrophobicContact CE2-CG 4.43Å; F97-F123 HydrophobicContact CZ-CD2 4.26Å; F97-F123 HydrophobicContact CZ-CG 4.41Å; F97-F126 HydrophobicContact CB-CB 4.18Å; F97-F126 HydrophobicContact CB-CD2 3.39Å; F97-F126 HydrophobicContact CB-CE2 3.87Å; F97-F126 HydrophobicContact CB-CG 3.93Å; F97-F126 HydrophobicContact CD2-CB 3.82Å; F97-F126 HydrophobicContact CD2-CG 4.47Å; F97-F126 HydrophobicContact CG-CB 4.23Å; F97-F126 HydrophobicContact CG-CD2 4.31Å; F97-F126 HydrophobicContact CG-CG 4.4Å; F97-F131 HydrophobicContact CD2-CE1 4.08Å; F97-F131 HydrophobicContact CD2-CZ 4.32Å; F97-F131 AromaticContact CE2-CE1 3.87Å; F97-F131 HydrophobicContact CE2-CE1 3.87Å; F97-F131 AromaticContact CE2-CZ 3.91Å; F97-F131 HydrophobicContact CE2-CZ 3.91Å; F97-Y133 AromaticContact CD2-CE1 3.64Å; F97-Y133 HydrophobicContact CD2-CE1 3.64Å; F97-Y133 HydrophobicContact CE2-CD1 4.48Å; F97-Y133 AromaticContact CE2-CE1 3.97Å; F97-Y133 HydrophobicContact CE2-CE1 3.97Å; F97-Y133 PolarHBondContact N-OH 2.98Å; F97-Y133 VanDerWaalsContact N-OH 3.15Å; F97-F143 HydrophobicContact CE1-CB 3.92Å; F97-F143 HydrophobicContact CE1-CD1 4.31Å; F97-F143 HydrophobicContact CE1-CD2 4.1Å; F97-F143 AromaticContact CE1-CG 3.83Å; F97-F143 HydrophobicContact CE1-CG 3.83Å; F97-F143 HydrophobicContact CZ-CB 4.4Å; F97-F143 AromaticContact CZ-CD2 3.94Å; F97-F143 HydrophobicContact CZ-CD2 3.94Å; F97-F143 HydrophobicContact CZ-CG 4.16Å
98	L	95.2	Very high	95	Very high	28 Å²	28	52 Å²	52	15%	0.147	25%	0.254	C	S	.	.			trans	-75.1	121.7	171.2	-66.6	174.7	0	0	0	110.6	G96 R100 E106 D109 F126 N127	G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 PolarHBondContact O-N 2.84Å; L98-R100 HydrophobicContact CB-CG 4.07Å; L98-E106 HydrophobicContact CD2-CB 3.85Å; L98-E106 HydrophobicContact CD2-CG 3.87Å; L98-D109 WeakPolarHBondContact CA-OD2 3.11Å; L98-F126 HydrophobicContact CD2-CE2 3.55Å; L98-F126 HydrophobicContact CD2-CZ 4.19Å; L98-F126 HydrophobicContact CG-CD2 4.42Å; L98-F126 HydrophobicContact CG-CE2 3.82Å; L98-N127 WeakPolarHBondContact CD1-OD1 3.44Å
99	T	96	Very high	94.8	Very high	8 Å²	8	52 Å²	52	5%	0.049	25%	0.253	C	S	.	.			trans	-77.9	-48.3	-177	-59.5	0	0	0	0	111.1	F97 K101 W102 A104 D109 R145 F168	F97-T99 PolarHBondContact O-N 2.95Å; T99-K101 HydrophobicContact CG2-CG 3.8Å; T99-K101 WeakPolarHBondContact CG2-O 3.26Å; T99-K101 WeakPolarHBondContact O-CG 3.29Å; T99-K101 PolarHBondContact O-N 2.9Å; T99-K101 VanDerWaalsContact O-N 3.1Å; T99-W102 HydrophobicContact CG2-CE3 3.86Å; T99-W102 HydrophobicContact CG2-CZ3 4.33Å; T99-A104 HydrophobicContact CG2-CB 4.03Å; T99-D109 WeakPolarHBondContact CB-OD1 3.3Å; T99-D109 PolarHBondContact N-OD2 2.93Å; T99-D109 PolarHBondContact OG1-OD1 2.86Å; T99-R145 WeakPolarHBondContact OG1-CD 3.34Å; T99-F168 HydrophobicContact CG2-CE1 4.32Å; T99-F168 HydrophobicContact CG2-CE2 4.41Å; T99-F168 HydrophobicContact CG2-CZ 3.88Å
100	R	94.5	Very high	94.7	Very high	204 Å²	204	55.2 Å²	55.2	77%	0.77	26%	0.264	S	S	*	.			trans	56.9	20.3	177.5	-54.1	-180	177.8	166.5	-1.5	114.9	L98	L98-R100 HydrophobicContact CB-CG 4.07Å
101	K	96.1	Very high	94.6	Very high	75 Å²	75	57.9 Å²	57.9	33%	0.326	28%	0.275	S	S	.	.	S	Bend	trans	-156.9	174.4	179.6	63.9	-168.4	168.1	-166.9	0	109.1	E89 T99 D103 A104	E89-K101 IonicContact OE1-NZ 3.78Å; E89-K101 PolarHBondContact OE1-NZ 2.84Å; E89-K101 IonicContact OE2-NZ 2.69Å; E89-K101 PolarHBondContact OE2-NZ 2.56Å; T99-K101 HydrophobicContact CG2-CG 3.8Å; T99-K101 WeakPolarHBondContact CG2-O 3.26Å; T99-K101 WeakPolarHBondContact O-CG 3.29Å; T99-K101 PolarHBondContact O-N 2.9Å; T99-K101 VanDerWaalsContact O-N 3.1Å; K101-D103 PolarHBondContact O-N 3.3Å; K101-A104 PolarHBondContact O-N 2.99Å; K101-A104 VanDerWaalsContact O-N 3.13Å
102	W	95.6	Very high	94.7	Very high	75 Å²	75	57.1 Å²	57.1	28%	0.284	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	36.4	178.4	-46.8	-36.9	0	0	0	113.1	T99 A104 R145 K147 F168	T99-W102 HydrophobicContact CG2-CE3 3.86Å; T99-W102 HydrophobicContact CG2-CZ3 4.33Å; W102-A104 PolarHBondContact O-N 3.11Å; W102-A104 VanDerWaalsContact O-N 3.11Å; W102-R145 HydrophobicContact CZ3-CB 4.42Å; W102-K147 HydrophobicContact CD2-CD 4.48Å; W102-K147 HydrophobicContact CH2-CB 3.82Å; W102-K147 HydrophobicContact CH2-CG 4.28Å; W102-K147 HydrophobicContact CZ2-CB 3.97Å; W102-K147 HydrophobicContact CZ2-CG 3.93Å; W102-K147 HydrophobicContact CZ3-CB 4.22Å; W102-F168 HydrophobicContact CB-CD1 3.82Å; W102-F168 HydrophobicContact CB-CE1 3.84Å; W102-F168 HydrophobicContact CD2-CD1 4.19Å; W102-F168 HydrophobicContact CE3-CB 4.09Å; W102-F168 AromaticContact CE3-CD1 3.56Å; W102-F168 HydrophobicContact CE3-CD1 3.56Å; W102-F168 HydrophobicContact CE3-CD2 4.09Å; W102-F168 AromaticContact CE3-CE1 3.88Å; W102-F168 HydrophobicContact CE3-CE1 3.88Å; W102-F168 HydrophobicContact CE3-CE2 4.4Å; W102-F168 AromaticContact CE3-CG 3.66Å; W102-F168 HydrophobicContact CE3-CG 3.66Å; W102-F168 HydrophobicContact CE3-CZ 4.29Å; W102-F168 HydrophobicContact CG-CD1 4.35Å; W102-F168 HydrophobicContact CZ3-CB 4.35Å; W102-F168 HydrophobicContact CZ3-CD1 4.47Å; W102-F168 HydrophobicContact CZ3-CD2 4.27Å; W102-F168 HydrophobicContact CZ3-CG 4.13Å
103	D	95.6	Very high	94.9	Very high	94 Å²	94	56.7 Å²	56.7	50%	0.503	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	16.7	-179.3	-54.6	-49.9	0	0	0	114.9	K101 I108 K187	K101-D103 PolarHBondContact O-N 3.3Å; D103-I108 WeakPolarHBondContact O-CD1 3.45Å; D103-K187 HydrophobicContact CB-CB 4.29Å; D103-K187 HydrophobicContact CB-CD 4.19Å; D103-K187 IonicContact OD1-NZ 2.85Å; D103-K187 WeakPolarHBondContact OD2-CD 3.39Å; D103-K187 WeakPolarHBondContact OD2-CE 3.31Å; D103-K187 IonicContact OD2-NZ 2.69Å; D103-K187 PolarHBondContact OD2-NZ 3.02Å
104	A	96.3	Very high	95	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.041	26%	0.256	C	S	.	.			trans	-96.3	116.8	173.6	0	0	0	0	0	110.9	T99 K101 W102 I108 F168 F185	T99-A104 HydrophobicContact CG2-CB 4.03Å; K101-A104 PolarHBondContact O-N 2.99Å; K101-A104 VanDerWaalsContact O-N 3.13Å; W102-A104 PolarHBondContact O-N 3.11Å; W102-A104 VanDerWaalsContact O-N 3.11Å; A104-I108 HydrophobicContact CB-CG2 4.11Å; A104-F168 HydrophobicContact CB-CE1 3.9Å; A104-F168 HydrophobicContact CB-CZ 3.73Å; A104-F185 HydrophobicContact CB-CD1 4.3Å; A104-F185 HydrophobicContact CB-CE1 3.96Å
105	D	95	Very high	95.1	Very high	81 Å²	81	55 Å²	55	43%	0.433	26%	0.255	S	S	.	.			trans	-94.8	179.2	171	66.3	27.3	0	0	0	111.7	E107 I108 D109	D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.05Å; D105-E107 WeakPolarHBondContact OD1-CA 3.46Å; D105-E107 WeakPolarHBondContact OD1-CB 3.27Å; D105-E107 PolarHBondContact OD1-N 2.76Å; D105-I108 PolarHBondContact O-N 3.34Å; D105-I108 WeakPolarHBondContact OD1-CG1 3.45Å; D105-I108 PolarHBondContact OD1-N 3.21Å; D105-D109 PolarHBondContact O-N 3.39Å
106	E	94.7	Very high	95.1	Very high	79 Å²	79	53 Å²	53	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-38.3	179.2	175.6	-178.5	165.3	0	0	112.9	L98 R110 N127	L98-E106 HydrophobicContact CD2-CB 3.85Å; L98-E106 HydrophobicContact CD2-CG 3.87Å; E106-R110 WeakPolarHBondContact O-CB 3.48Å; E106-R110 PolarHBondContact O-N 3.19Å; E106-R110 IonicContact OE1-CZ 2.76Å; E106-R110 IonicContact OE1-NH2 3.84Å; E106-R110 PolarHBondContact OE1-NH2 2.99Å; E106-N127 PolarHBondContact OE1-ND2 3.11Å; E106-N127 PolarHBondContact OE2-ND2 2.93Å
107	E	94.6	Very high	94.9	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-42.8	-177.8	-175	177.9	173.5	0	0	110.4	D105 R110 K111	D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.05Å; D105-E107 WeakPolarHBondContact OD1-CA 3.46Å; D105-E107 WeakPolarHBondContact OD1-CB 3.27Å; D105-E107 PolarHBondContact OD1-N 2.76Å; E107-R110 PolarHBondContact O-N 2.8Å; E107-K111 HydrophobicContact CG-CD 4.29Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 VanDerWaalsContact O-CG 3.28Å; E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.08Å; E107-K111 WeakPolarHBondContact OE1-CE 3.25Å; E107-K111 IonicContact OE1-NZ 2.84Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å
108	I	96.1	Very high	94.5	Very high	21 Å²	21	57 Å²	57	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-50.3	175.2	-68.3	162.7	0	0	0	110.3	D103 A104 D105 R110 K111 H112 F185 W191	D103-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 HydrophobicContact CB-CG2 4.11Å; D105-I108 PolarHBondContact O-N 3.34Å; D105-I108 WeakPolarHBondContact OD1-CG1 3.45Å; D105-I108 PolarHBondContact OD1-N 3.21Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 2.91Å; I108-K111 PolarHBondContact O-N 2.86Å; I108-H112 PolarHBondContact O-N 2.91Å; I108-H112 PolarHBondContact O-ND1 2.8Å; I108-F185 HydrophobicContact CD1-CE2 4.03Å; I108-F185 HydrophobicContact CD1-CZ 3.69Å; I108-F185 HydrophobicContact CG1-CE2 4.28Å; I108-F185 HydrophobicContact CG1-CZ 4.37Å; I108-F185 HydrophobicContact CG2-CD1 4.22Å; I108-F185 HydrophobicContact CG2-CD2 3.71Å; I108-F185 HydrophobicContact CG2-CE1 4.05Å; I108-F185 HydrophobicContact CG2-CE2 3.52Å; I108-F185 HydrophobicContact CG2-CG 4.06Å; I108-F185 HydrophobicContact CG2-CZ 3.72Å; I108-W191 HydrophobicContact CG1-CH2 4.48Å
109	D	96.1	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-49.1	178	-75.8	-37.7	0	0	0	110.7	L98 T99 D105 K111 H112 W113 Y170	L98-D109 WeakPolarHBondContact CA-OD2 3.11Å; T99-D109 WeakPolarHBondContact CB-OD1 3.3Å; T99-D109 PolarHBondContact N-OD2 2.93Å; T99-D109 PolarHBondContact OG1-OD1 2.86Å; D105-D109 PolarHBondContact O-N 3.39Å; D109-K111 VanDerWaalsContact C-N 3.32Å; D109-K111 PolarHBondContact O-N 3.48Å; D109-H112 PolarHBondContact O-N 3.02Å; D109-W113 VanDerWaalsContact O-CB 3.32Å; D109-W113 WeakPolarHBondContact O-CB 3.38Å; D109-W113 PolarHBondContact O-N 2.82Å; D109-Y170 VanDerWaalsContact OD1-CE1 3.3Å; D109-Y170 WeakPolarHBondContact OD1-CE1 3.34Å; D109-Y170 PolarHBondContact OD1-OH 3Å
110	R	94.1	Very high	93.3	Very high	87 Å²	87	57.1 Å²	57.1	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-57.8	-45.6	178.7	-177.4	-177.2	-57.9	-75.5	1	111.4	E106 E107 I108 S114 R124 F126	E106-R110 WeakPolarHBondContact O-CB 3.48Å; E106-R110 PolarHBondContact O-N 3.19Å; E106-R110 IonicContact OE1-CZ 2.76Å; E106-R110 IonicContact OE1-NH2 3.84Å; E106-R110 PolarHBondContact OE1-NH2 2.99Å; E107-R110 PolarHBondContact O-N 2.8Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 2.91Å; R110-S114 WeakPolarHBondContact O-CB 3.45Å; R110-S114 PolarHBondContact O-N 3.01Å; R110-S114 PolarHBondContact O-OG 3.46Å; R110-R124 PolarHBondContact NH1-O 3.01Å; R110-F126 HydrophobicContact CB-CE1 4.24Å; R110-F126 HydrophobicContact CB-CZ 4.31Å; R110-F126 HydrophobicContact CG-CE1 4.4Å
111	K	94.9	Very high	92.5	Very high	78 Å²	78	54.3 Å²	54.3	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-43.9	-179.4	-76.6	178.7	-171.8	168.5	0	112	E107 I108 D109 W191	E107-K111 HydrophobicContact CG-CD 4.29Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 VanDerWaalsContact O-CG 3.28Å; E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.08Å; E107-K111 WeakPolarHBondContact OE1-CE 3.25Å; E107-K111 IonicContact OE1-NZ 2.84Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å; I108-K111 PolarHBondContact O-N 2.86Å; D109-K111 VanDerWaalsContact C-N 3.32Å; D109-K111 PolarHBondContact O-N 3.48Å; K111-W191 HydrophobicContact CB-CZ3 4.19Å; K111-W191 HydrophobicContact CD-CH2 3.82Å; K111-W191 HydrophobicContact CD-CZ3 3.54Å
112	H	96	Very high	91.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-47.3	178.8	-72.7	78.8	0	0	0	112.1	I108 D109 S114 K115 Y170 F185 Y192	I108-H112 PolarHBondContact O-N 2.91Å; I108-H112 PolarHBondContact O-ND1 2.8Å; D109-H112 PolarHBondContact O-N 3.02Å; H112-S114 VanDerWaalsContact C-N 3.26Å; H112-S114 PolarHBondContact O-N 2.68Å; H112-K115 VanDerWaalsContact O-CB 3.23Å; H112-K115 WeakPolarHBondContact O-CB 3.34Å; H112-K115 PolarHBondContact O-N 2.96Å; H112-Y170 HydrophobicContact CB-CD1 4.05Å; H112-Y170 HydrophobicContact CB-CD2 3.56Å; H112-Y170 HydrophobicContact CB-CE1 4.08Å; H112-Y170 HydrophobicContact CB-CE2 3.58Å; H112-Y170 HydrophobicContact CB-CG 3.79Å; H112-Y170 AromaticContact CD2-CD2 3.71Å; H112-Y170 AromaticContact CD2-CE2 3.77Å; H112-Y170 AromaticContact CG-CD2 3.69Å; H112-Y170 AromaticContact CG-CE2 3.49Å; H112-Y170 VanDerWaalsContact CG-CE2 3.49Å; H112-F185 AromaticContact CE1-CD2 3.49Å; H112-F185 VanDerWaalsContact CE1-CD2 3.49Å; H112-F185 WeakPolarHBondContact CE1-CD2 3.4Å; H112-F185 AromaticContact NE2-CD2 3.78Å; H112-Y192 AromaticContact CD2-CD1 3.95Å; H112-Y192 AromaticContact CD2-CE1 3.92Å; H112-Y192 AromaticContact NE2-CD1 3.99Å; H112-Y192 AromaticContact NE2-CE1 3.92Å
113	W	95.6	Very high	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-35.7	178.1	-68.3	127.8	0	0	0	112.2	I91 F97 D109 K115 F116 F119 F143 M144 R145 Y170	I91-W113 HydrophobicContact CD1-CH2 4.32Å; I91-W113 HydrophobicContact CD1-CZ2 4.08Å; I91-W113 HydrophobicContact CG1-CH2 3.96Å; I91-W113 HydrophobicContact CG1-CZ2 4.11Å; F97-W113 AromaticContact CD1-CD2 3.8Å; F97-W113 HydrophobicContact CD1-CD2 3.8Å; F97-W113 AromaticContact CD1-CE2 3.6Å; F97-W113 HydrophobicContact CD1-CE3 4.33Å; F97-W113 HydrophobicContact CD1-CG 4.07Å; F97-W113 AromaticContact CD1-CZ2 3.97Å; F97-W113 HydrophobicContact CD1-CZ2 3.97Å; F97-W113 AromaticContact CD1-NE1 3.76Å; F97-W113 HydrophobicContact CE1-CD2 4.26Å; F97-W113 HydrophobicContact CE1-CE3 4.37Å; F97-W113 PolarHBondContact O-NE1 2.92Å; D109-W113 VanDerWaalsContact O-CB 3.32Å; D109-W113 WeakPolarHBondContact O-CB 3.38Å; D109-W113 PolarHBondContact O-N 2.82Å; W113-K115 PolarHBondContact O-N 3.44Å; W113-K115 VanDerWaalsContact O-N 3.11Å; W113-F116 AromaticContact CE3-CD2 3.8Å; W113-F116 HydrophobicContact CE3-CD2 3.8Å; W113-F116 AromaticContact CE3-CE2 3.64Å; W113-F116 HydrophobicContact CE3-CE2 3.64Å; W113-F116 HydrophobicContact CZ3-CD2 4.35Å; W113-F116 AromaticContact CZ3-CE2 3.89Å; W113-F116 HydrophobicContact CZ3-CE2 3.89Å; W113-F116 WeakPolarHBondContact O-CD2 3.39Å; W113-F116 PolarHBondContact O-N 2.97Å; W113-F116 VanDerWaalsContact O-N 3.12Å; W113-F119 HydrophobicContact CB-CD1 3.6Å; W113-F119 HydrophobicContact CB-CD2 3.86Å; W113-F119 HydrophobicContact CB-CE1 3.43Å; W113-F119 VanDerWaalsContact CB-CE1 3.43Å; W113-F119 HydrophobicContact CB-CE2 3.71Å; W113-F119 HydrophobicContact CB-CG 3.8Å; W113-F119 HydrophobicContact CB-CZ 3.48Å; W113-F119 VanDerWaalsContact CB-CZ 3.48Å; W113-F119 HydrophobicContact CG-CD2 4.36Å; W113-F119 HydrophobicContact CG-CE2 4.05Å; W113-F119 HydrophobicContact CG-CZ 4.12Å; W113-F119 VanDerWaalsContact O-CB 3.25Å; W113-F119 WeakPolarHBondContact O-CB 3.44Å; W113-F119 WeakPolarHBondContact O-CD1 3.23Å; W113-F119 WeakPolarHBondContact O-CG 3.39Å; W113-F143 HydrophobicContact CE3-CD1 4.08Å; W113-F143 HydrophobicContact CH2-CB 4.22Å; W113-F143 HydrophobicContact CZ3-CB 4.04Å; W113-F143 AromaticContact CZ3-CD1 3.84Å; W113-F143 HydrophobicContact CZ3-CD1 3.84Å; W113-F143 HydrophobicContact CZ3-CG 4.36Å; W113-M144 WeakPolarHBondContact CH2-O 3.3Å; W113-R145 HydrophobicContact CH2-CG 4.31Å; W113-R145 HydrophobicContact CZ2-CG 4.13Å; W113-Y170 AromaticContact CD2-CD1 3.75Å; W113-Y170 HydrophobicContact CD2-CD1 3.75Å; W113-Y170 HydrophobicContact CD2-CE1 4.28Å; W113-Y170 AromaticContact CE2-CD1 3.41Å; W113-Y170 VanDerWaalsContact CE2-CD1 3.41Å; W113-Y170 AromaticContact CE2-CE1 3.7Å; W113-Y170 HydrophobicContact CE3-CD1 4.07Å; W113-Y170 HydrophobicContact CG-CD1 4.42Å; W113-Y170 AromaticContact CH2-CD1 3.8Å; W113-Y170 HydrophobicContact CH2-CD1 3.8Å; W113-Y170 AromaticContact CZ2-CD1 3.47Å; W113-Y170 HydrophobicContact CZ2-CD1 3.47Å; W113-Y170 VanDerWaalsContact CZ2-CD1 3.47Å; W113-Y170 AromaticContact CZ2-CE1 3.97Å; W113-Y170 HydrophobicContact CZ2-CE1 3.97Å; W113-Y170 HydrophobicContact CZ3-CD1 4.08Å; W113-Y170 AromaticContact NE1-CD1 3.88Å; W113-Y170 AromaticContact NE1-CE1 3.67Å
114	S	93.7	Very high	90.1	Very high	53 Å²	53	58.7 Å²	58.7	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.2	176.9	-60.7	0	0	0	0	114.4	R110 H112 F116	R110-S114 WeakPolarHBondContact O-CB 3.45Å; R110-S114 PolarHBondContact O-N 3.01Å; R110-S114 PolarHBondContact O-OG 3.46Å; H112-S114 VanDerWaalsContact C-N 3.26Å; H112-S114 PolarHBondContact O-N 2.68Å; S114-F116 VanDerWaalsContact C-N 3.34Å
115	K	94.8	Very high	89.4	Confident	91 Å²	91	62.8 Å²	62.8	40%	0.396	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.7	172.2	-66.3	-65.1	-61.2	178.1	0	112.5	H112 W113 V117 Y183 Y192	H112-K115 VanDerWaalsContact O-CB 3.23Å; H112-K115 WeakPolarHBondContact O-CB 3.34Å; H112-K115 PolarHBondContact O-N 2.96Å; W113-K115 PolarHBondContact O-N 3.44Å; W113-K115 VanDerWaalsContact O-N 3.11Å; K115-V117 PolarHBondContact O-N 2.99Å; K115-Y183 HydrophobicContact CB-CD2 3.78Å; K115-Y183 HydrophobicContact CB-CE1 4.35Å; K115-Y183 HydrophobicContact CB-CE2 3.39Å; K115-Y183 HydrophobicContact CB-CG 4.44Å; K115-Y183 HydrophobicContact CG-CD2 4.39Å; K115-Y183 HydrophobicContact CG-CE2 4.3Å; K115-Y192 HydrophobicContact CD-CD1 4.04Å; K115-Y192 HydrophobicContact CD-CE1 3.88Å; K115-Y192 HydrophobicContact CD-CG 4.49Å; K115-Y192 HydrophobicContact CG-CD1 3.78Å; K115-Y192 HydrophobicContact CG-CE1 3.63Å
116	F	93.7	Very high	89	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	28%	0.277	C	S	.	.	S	Bend	trans	-77.1	120.3	176.5	-55.4	-75.4	0	0	0	109.5	W113 S114 A118 F119 C120 F143 C172 E181 Y183	W113-F116 AromaticContact CE3-CD2 3.8Å; W113-F116 HydrophobicContact CE3-CD2 3.8Å; W113-F116 AromaticContact CE3-CE2 3.64Å; W113-F116 HydrophobicContact CE3-CE2 3.64Å; W113-F116 HydrophobicContact CZ3-CD2 4.35Å; W113-F116 AromaticContact CZ3-CE2 3.89Å; W113-F116 HydrophobicContact CZ3-CE2 3.89Å; W113-F116 WeakPolarHBondContact O-CD2 3.39Å; W113-F116 PolarHBondContact O-N 2.97Å; W113-F116 VanDerWaalsContact O-N 3.12Å; S114-F116 VanDerWaalsContact C-N 3.34Å; F116-A118 PolarHBondContact O-N 2.89Å; F116-F119 HydrophobicContact CB-CB 3.95Å; F116-F119 WeakPolarHBondContact O-CB 3.47Å; F116-F119 PolarHBondContact O-N 2.91Å; F116-C120 PolarHBondContact O-N 3.37Å; F116-F143 HydrophobicContact CB-CE1 4.2Å; F116-F143 HydrophobicContact CG-CE1 4.4Å; F116-C172 HydrophobicContact CD1-CB 3.36Å; F116-C172 HydrophobicContact CE1-CB 3.49Å; F116-C172 VanDerWaalsContact CE1-CB 3.49Å; F116-C172 HydrophobicContact CG-CB 3.93Å; F116-C172 HydrophobicContact CZ-CB 4.18Å; F116-E181 HydrophobicContact CD1-CB 4.24Å; F116-E181 HydrophobicContact CD1-CG 4.08Å; F116-E181 HydrophobicContact CE1-CB 4Å; F116-E181 HydrophobicContact CE1-CG 3.87Å; F116-E181 WeakPolarHBondContact CE1-O 3.4Å; F116-Y183 HydrophobicContact CD1-CD2 4.42Å; F116-Y183 HydrophobicContact CD1-CE2 4.01Å; F116-Y183 AromaticContact CE1-CD2 3.74Å; F116-Y183 HydrophobicContact CE1-CD2 3.74Å; F116-Y183 AromaticContact CE1-CE2 3.68Å; F116-Y183 HydrophobicContact CE1-CE2 3.68Å; F116-Y183 HydrophobicContact CE2-CD2 4.01Å; F116-Y183 HydrophobicContact CE2-CE2 4.46Å; F116-Y183 AromaticContact CZ-CD2 3.51Å; F116-Y183 HydrophobicContact CZ-CD2 3.51Å; F116-Y183 AromaticContact CZ-CE2 3.94Å; F116-Y183 HydrophobicContact CZ-CE2 3.94Å
117	V	89.8	Confident	88.5	Confident	97 Å²	97	58.6 Å²	58.6	59%	0.588	28%	0.276	S	S	*	.	H	α-helix	trans	-55.5	-42.8	177.2	177.2	0	0	0	0	110.7	K115 F119 C120 Q121	K115-V117 PolarHBondContact O-N 2.99Å; V117-F119 VanDerWaalsContact C-N 3.25Å; V117-F119 PolarHBondContact O-N 3.32Å; V117-C120 PolarHBondContact O-N 3.37Å; V117-Q121 WeakPolarHBondContact O-CG 3.43Å; V117-Q121 PolarHBondContact O-N 2.91Å
118	A	85.9	Confident	88	Confident	8 Å²	8	55.6 Å²	55.6	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-34.3	177.1	0	0	0	0	0	113.5	F116 Y141 F143	F116-A118 PolarHBondContact O-N 2.89Å; A118-Y141 HydrophobicContact CB-CD1 3.69Å; A118-Y141 HydrophobicContact CB-CD2 3.53Å; A118-Y141 HydrophobicContact CB-CE1 3.79Å; A118-Y141 HydrophobicContact CB-CE2 3.64Å; A118-Y141 HydrophobicContact CB-CG 3.55Å; A118-F143 HydrophobicContact CB-CZ 4.08Å
119	F	86	Confident	87.1	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-77.8	-49.4	177.1	179.6	-87.8	0	0	0	111.6	F97 W113 F116 V117 Q121 R122 F123 F126 F143	F97-F119 HydrophobicContact CD1-CD2 4.04Å; F97-F119 AromaticContact CD1-CE2 3.46Å; F97-F119 HydrophobicContact CD1-CE2 3.46Å; F97-F119 VanDerWaalsContact CD1-CE2 3.46Å; F97-F119 HydrophobicContact CD1-CZ 4.44Å; F97-F119 HydrophobicContact CD2-CE2 4.16Å; F97-F119 AromaticContact CE1-CD2 3.54Å; F97-F119 HydrophobicContact CE1-CD2 3.54Å; F97-F119 AromaticContact CE1-CE2 3.4Å; F97-F119 HydrophobicContact CE1-CE2 3.4Å; F97-F119 VanDerWaalsContact CE1-CE2 3.4Å; F97-F119 HydrophobicContact CE2-CE2 4.11Å; F97-F119 AromaticContact CG-CE2 3.86Å; F97-F119 HydrophobicContact CG-CE2 3.86Å; F97-F119 AromaticContact CZ-CD2 3.89Å; F97-F119 HydrophobicContact CZ-CD2 3.89Å; F97-F119 AromaticContact CZ-CE2 3.75Å; F97-F119 HydrophobicContact CZ-CE2 3.75Å; W113-F119 HydrophobicContact CB-CD1 3.6Å; W113-F119 HydrophobicContact CB-CD2 3.86Å; W113-F119 HydrophobicContact CB-CE1 3.43Å; W113-F119 VanDerWaalsContact CB-CE1 3.43Å; W113-F119 HydrophobicContact CB-CE2 3.71Å; W113-F119 HydrophobicContact CB-CG 3.8Å; W113-F119 HydrophobicContact CB-CZ 3.48Å; W113-F119 VanDerWaalsContact CB-CZ 3.48Å; W113-F119 HydrophobicContact CG-CD2 4.36Å; W113-F119 HydrophobicContact CG-CE2 4.05Å; W113-F119 HydrophobicContact CG-CZ 4.12Å; W113-F119 VanDerWaalsContact O-CB 3.25Å; W113-F119 WeakPolarHBondContact O-CB 3.44Å; W113-F119 WeakPolarHBondContact O-CD1 3.23Å; W113-F119 WeakPolarHBondContact O-CG 3.39Å; F116-F119 HydrophobicContact CB-CB 3.95Å; F116-F119 WeakPolarHBondContact O-CB 3.47Å; F116-F119 PolarHBondContact O-N 2.91Å; V117-F119 VanDerWaalsContact C-N 3.25Å; V117-F119 PolarHBondContact O-N 3.32Å; F119-Q121 PolarHBondContact O-N 2.84Å; F119-Q121 VanDerWaalsContact O-N 3.11Å; F119-R122 PolarHBondContact O-N 2.86Å; F119-F123 HydrophobicContact CD2-CB 3.65Å; F119-F123 AromaticContact CD2-CD2 3.92Å; F119-F123 HydrophobicContact CD2-CD2 3.92Å; F119-F123 HydrophobicContact CD2-CG 4.25Å; F119-F123 HydrophobicContact CE1-CB 4.49Å; F119-F123 HydrophobicContact CE2-CB 3.48Å; F119-F123 VanDerWaalsContact CE2-CB 3.48Å; F119-F123 HydrophobicContact CE2-CG 4.41Å; F119-F123 HydrophobicContact CG-CB 4.23Å; F119-F123 HydrophobicContact CG-CD2 4.49Å; F119-F123 HydrophobicContact CZ-CB 3.95Å; F119-F123 VanDerWaalsContact CZ-O 3.29Å; F119-F123 WeakPolarHBondContact CZ-O 3.42Å; F119-F123 PolarHBondContact O-N 2.91Å; F119-F126 HydrophobicContact CE1-CD1 4.32Å; F119-F126 HydrophobicContact CE2-CD1 4.49Å; F119-F126 HydrophobicContact CZ-CB 4.3Å; F119-F126 AromaticContact CZ-CD1 3.54Å; F119-F126 HydrophobicContact CZ-CD1 3.54Å; F119-F126 HydrophobicContact CZ-CE1 4.07Å; F119-F126 HydrophobicContact CZ-CG 4.06Å; F119-F143 HydrophobicContact CB-CE1 3.81Å; F119-F143 HydrophobicContact CB-CZ 3.93Å; F119-F143 HydrophobicContact CD2-CE1 4.43Å
120	C	79.7	Confident	86.2	Confident	36 Å²	36	66.7 Å²	66.7	24%	0.243	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-29.3	-176	-174	0	0	0	0	112.6	F116 V117 R124	F116-C120 PolarHBondContact O-N 3.37Å; V117-C120 PolarHBondContact O-N 3.37Å; C120-R124 VanDerWaalsContact O-CG 3.24Å; C120-R124 WeakPolarHBondContact O-CG 3.49Å; C120-R124 PolarHBondContact O-NE 3.45Å; C120-R124 PolarHBondContact SG-NH2 2.77Å; C120-R124 VanDerWaalsContact SG-NH2 3.39Å
121	Q	77.9	Confident	85.6	Confident	146 Å²	146	64 Å²	64	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.3	178.9	-71.6	176.3	-5.7	0	0	114.3	V117 F119	V117-Q121 WeakPolarHBondContact O-CG 3.43Å; V117-Q121 PolarHBondContact O-N 2.91Å; F119-Q121 PolarHBondContact O-N 2.84Å; F119-Q121 VanDerWaalsContact O-N 3.11Å
122	R	76.6	Confident	85	Confident	155 Å²	155	64.4 Å²	64.4	59%	0.585	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-28	-165.7	-78.1	-178.8	161.6	-178.4	-6.8	115.6	F119 N139	F119-R122 PolarHBondContact O-N 2.86Å; R122-N139 VanDerWaalsContact NH1-CG 3.35Å; R122-N139 PolarHBondContact NH1-ND2 2.71Å; R122-N139 PolarHBondContact NH1-OD1 3.45Å; R122-N139 VanDerWaalsContact NH1-OD1 3.07Å
123	F	81.8	Confident	84.5	Confident	9 Å²	9	66.5 Å²	66.5	4%	0.039	35%	0.354	C	S	.	.			trans	-120.1	26	-166.1	-52.4	-56.3	0	0	0	113	F97 F119 N125 F126 F131 C136 F143	F97-F123 HydrophobicContact CE2-CB 4.47Å; F97-F123 HydrophobicContact CE2-CG 4.43Å; F97-F123 HydrophobicContact CZ-CD2 4.26Å; F97-F123 HydrophobicContact CZ-CG 4.41Å; F119-F123 HydrophobicContact CD2-CB 3.65Å; F119-F123 AromaticContact CD2-CD2 3.92Å; F119-F123 HydrophobicContact CD2-CD2 3.92Å; F119-F123 HydrophobicContact CD2-CG 4.25Å; F119-F123 HydrophobicContact CE1-CB 4.49Å; F119-F123 HydrophobicContact CE2-CB 3.48Å; F119-F123 VanDerWaalsContact CE2-CB 3.48Å; F119-F123 HydrophobicContact CE2-CG 4.41Å; F119-F123 HydrophobicContact CG-CB 4.23Å; F119-F123 HydrophobicContact CG-CD2 4.49Å; F119-F123 HydrophobicContact CZ-CB 3.95Å; F119-F123 VanDerWaalsContact CZ-O 3.29Å; F119-F123 WeakPolarHBondContact CZ-O 3.42Å; F119-F123 PolarHBondContact O-N 2.91Å; F123-N125 PolarHBondContact O-N 2.84Å; F123-N125 VanDerWaalsContact O-N 3.16Å; F123-F126 WeakPolarHBondContact O-CB 3.41Å; F123-F126 WeakPolarHBondContact O-CD1 3.46Å; F123-F126 PolarHBondContact O-N 3.44Å; F123-F131 HydrophobicContact CB-CE2 4.27Å; F123-F131 HydrophobicContact CB-CZ 4.18Å; F123-F131 AromaticContact CD1-CE2 3.68Å; F123-F131 HydrophobicContact CD1-CE2 3.68Å; F123-F131 AromaticContact CD1-CZ 3.37Å; F123-F131 HydrophobicContact CD1-CZ 3.37Å; F123-F131 HydrophobicContact CE1-CZ 4.04Å; F123-F131 HydrophobicContact CG-CE2 4.41Å; F123-F131 HydrophobicContact CG-CZ 4.05Å; F123-C136 VanDerWaalsContact CE1-SG 3.53Å; F123-C136 HydrophobicContact CZ-CB 4.46Å; F123-F143 HydrophobicContact CD2-CE2 4.01Å; F123-F143 HydrophobicContact CD2-CZ 4.31Å; F123-F143 HydrophobicContact CE2-CD2 4.5Å; F123-F143 AromaticContact CE2-CE2 3.62Å; F123-F143 HydrophobicContact CE2-CE2 3.62Å; F123-F143 HydrophobicContact CE2-CZ 4.2Å
124	R	78.2	Confident	83.5	Confident	171 Å²	171	70.8 Å²	70.8	65%	0.645	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.2	177.9	-65.7	-174.6	-180	-176.3	-1	113.2	R110 C120	R110-R124 PolarHBondContact NH1-O 3.01Å; C120-R124 VanDerWaalsContact O-CG 3.24Å; C120-R124 WeakPolarHBondContact O-CG 3.49Å; C120-R124 PolarHBondContact O-NE 3.45Å; C120-R124 PolarHBondContact SG-NH2 2.77Å; C120-R124 VanDerWaalsContact SG-NH2 3.39Å
125	N	83	Confident	82.5	Confident	92 Å²	92	71.1 Å²	71.1	49%	0.492	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	25.3	179.2	65.7	-29	0	0	0	112.9	F123 N127 A128	F123-N125 PolarHBondContact O-N 2.84Å; F123-N125 VanDerWaalsContact O-N 3.16Å; N125-N127 PolarHBondContact O-N 2.55Å; N125-A128 HydrophobicContact CB-CB 4.25Å; N125-A128 WeakPolarHBondContact O-CB 3.05Å; N125-A128 PolarHBondContact O-N 2.83Å
126	F	86.1	Confident	81.3	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.026	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21	-179.5	75.5	-86.3	0	0	0	115	F97 L98 R110 F119 F123 F131	F97-F126 HydrophobicContact CB-CB 4.18Å; F97-F126 HydrophobicContact CB-CD2 3.39Å; F97-F126 HydrophobicContact CB-CE2 3.87Å; F97-F126 HydrophobicContact CB-CG 3.93Å; F97-F126 HydrophobicContact CD2-CB 3.82Å; F97-F126 HydrophobicContact CD2-CG 4.47Å; F97-F126 HydrophobicContact CG-CB 4.23Å; F97-F126 HydrophobicContact CG-CD2 4.31Å; F97-F126 HydrophobicContact CG-CG 4.4Å; L98-F126 HydrophobicContact CD2-CE2 3.55Å; L98-F126 HydrophobicContact CD2-CZ 4.19Å; L98-F126 HydrophobicContact CG-CD2 4.42Å; L98-F126 HydrophobicContact CG-CE2 3.82Å; R110-F126 HydrophobicContact CB-CE1 4.24Å; R110-F126 HydrophobicContact CB-CZ 4.31Å; R110-F126 HydrophobicContact CG-CE1 4.4Å; F119-F126 HydrophobicContact CE1-CD1 4.32Å; F119-F126 HydrophobicContact CE2-CD1 4.49Å; F119-F126 HydrophobicContact CZ-CB 4.3Å; F119-F126 AromaticContact CZ-CD1 3.54Å; F119-F126 HydrophobicContact CZ-CD1 3.54Å; F119-F126 HydrophobicContact CZ-CE1 4.07Å; F119-F126 HydrophobicContact CZ-CG 4.06Å; F123-F126 WeakPolarHBondContact O-CB 3.41Å; F123-F126 WeakPolarHBondContact O-CD1 3.46Å; F123-F126 PolarHBondContact O-N 3.44Å; F126-F131 HydrophobicContact CB-CD2 4.45Å; F126-F131 HydrophobicContact CB-CE2 4.28Å; F126-F131 HydrophobicContact CB-CZ 4.39Å
127	N	84.9	Confident	80.2	Confident	66 Å²	66	72.9 Å²	72.9	35%	0.353	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	7.5	177.1	-163.3	30	0	0	0	113.2	L98 E106 N125	L98-N127 WeakPolarHBondContact CD1-OD1 3.44Å; E106-N127 PolarHBondContact OE1-ND2 3.11Å; E106-N127 PolarHBondContact OE2-ND2 2.93Å; N125-N127 PolarHBondContact O-N 2.55Å
128	A	83.9	Confident	79.1	Confident	49 Å²	49	75.8 Å²	75.8	41%	0.405	40%	0.398	S	S	.	.	S	Bend	trans	-75.9	143.2	175.4	0	0	0	0	0	110.8	N125 G130 F131	N125-A128 HydrophobicContact CB-CB 4.25Å; N125-A128 WeakPolarHBondContact O-CB 3.05Å; N125-A128 PolarHBondContact O-N 2.83Å; A128-G130 PolarHBondContact O-N 3.1Å; A128-F131 PolarHBondContact O-N 3.13Å; A128-F131 VanDerWaalsContact O-N 3.13Å
129	D	76.7	Confident	78.7	Confident	173 Å²	173	76 Å²	76	93%	0.925	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	119.3	171.5	-65.2	-34.9	0	0	0	109.3
130	G	76	Confident	78.9	Confident	81 Å²	81	78.2 Å²	78.2	84%	0.835	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	17.7	-178.4	0	0	0	0	0	115.5	A128 D132	A128-G130 PolarHBondContact O-N 3.1Å; G130-D132 PolarHBondContact O-N 3.22Å
131	F	82.8	Confident	79.4	Confident	30 Å²	30	79.7 Å²	79.7	13%	0.132	41%	0.41	C	S	.	.			trans	-53.7	121.5	168.9	179.9	-95.4	0	0	0	111.4	F97 F123 F126 A128 Y133	F97-F131 HydrophobicContact CD2-CE1 4.08Å; F97-F131 HydrophobicContact CD2-CZ 4.32Å; F97-F131 AromaticContact CE2-CE1 3.87Å; F97-F131 HydrophobicContact CE2-CE1 3.87Å; F97-F131 AromaticContact CE2-CZ 3.91Å; F97-F131 HydrophobicContact CE2-CZ 3.91Å; F123-F131 HydrophobicContact CB-CE2 4.27Å; F123-F131 HydrophobicContact CB-CZ 4.18Å; F123-F131 AromaticContact CD1-CE2 3.68Å; F123-F131 HydrophobicContact CD1-CE2 3.68Å; F123-F131 AromaticContact CD1-CZ 3.37Å; F123-F131 HydrophobicContact CD1-CZ 3.37Å; F123-F131 HydrophobicContact CE1-CZ 4.04Å; F123-F131 HydrophobicContact CG-CE2 4.41Å; F123-F131 HydrophobicContact CG-CZ 4.05Å; F126-F131 HydrophobicContact CB-CD2 4.45Å; F126-F131 HydrophobicContact CB-CE2 4.28Å; F126-F131 HydrophobicContact CB-CZ 4.39Å; A128-F131 PolarHBondContact O-N 3.13Å; A128-F131 VanDerWaalsContact O-N 3.13Å; F131-Y133 HydrophobicContact CD1-CD1 4.07Å; F131-Y133 AromaticContact CD1-CD2 3.82Å; F131-Y133 HydrophobicContact CD1-CD2 3.82Å; F131-Y133 AromaticContact CD1-CE1 3.91Å; F131-Y133 HydrophobicContact CD1-CE1 3.91Å; F131-Y133 AromaticContact CD1-CE2 3.64Å; F131-Y133 HydrophobicContact CD1-CE2 3.64Å; F131-Y133 HydrophobicContact CD1-CG 4.02Å; F131-Y133 AromaticContact CD1-CZ 3.68Å; F131-Y133 AromaticContact CE1-CD1 3.72Å; F131-Y133 HydrophobicContact CE1-CD1 3.72Å; F131-Y133 HydrophobicContact CE1-CD2 4.3Å; F131-Y133 AromaticContact CE1-CE1 3.68Å; F131-Y133 HydrophobicContact CE1-CE1 3.68Å; F131-Y133 HydrophobicContact CE1-CE2 4.26Å; F131-Y133 HydrophobicContact CE1-CG 4.04Å; F131-Y133 AromaticContact CE1-CZ 3.95Å; F131-Y133 PolarHBondContact O-N 3.4Å
132	D	82.5	Confident	80.2	Confident	88 Å²	88	73.8 Å²	73.8	47%	0.471	38%	0.384	S	S	.	.			trans	-86.7	100.6	-176	179.5	22.1	0	0	0	111.7	G130 E134 S135	G130-D132 PolarHBondContact O-N 3.22Å; D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 2.92Å; D132-E134 VanDerWaalsContact OD1-CB 3.29Å; D132-E134 WeakPolarHBondContact OD1-CB 3.44Å; D132-E134 PolarHBondContact OD1-N 3.36Å; D132-S135 PolarHBondContact O-N 2.94Å; D132-S135 PolarHBondContact O-OG 2.86Å; D132-S135 PolarHBondContact OD2-N 2.84Å
133	Y	84.4	Confident	81.1	Confident	44 Å²	44	66.7 Å²	66.7	17%	0.173	36%	0.357	C	S	.	.	S	Bend	trans	-69.9	-19.1	173.9	-74.3	-80.9	0	0	0	113.7	I91 G92 G96 F97 F131 S135 C136	I91-Y133 HydrophobicContact CG2-CD1 4.46Å; I91-Y133 HydrophobicContact CG2-CE1 4.1Å; G92-Y133 VanDerWaalsContact C-CD1 3.48Å; G92-Y133 WeakPolarHBondContact O-CD1 3.35Å; G96-Y133 WeakPolarHBondContact CA-OH 3.29Å; F97-Y133 AromaticContact CD2-CE1 3.64Å; F97-Y133 HydrophobicContact CD2-CE1 3.64Å; F97-Y133 HydrophobicContact CE2-CD1 4.48Å; F97-Y133 AromaticContact CE2-CE1 3.97Å; F97-Y133 HydrophobicContact CE2-CE1 3.97Å; F97-Y133 PolarHBondContact N-OH 2.98Å; F97-Y133 VanDerWaalsContact N-OH 3.15Å; F131-Y133 HydrophobicContact CD1-CD1 4.07Å; F131-Y133 AromaticContact CD1-CD2 3.82Å; F131-Y133 HydrophobicContact CD1-CD2 3.82Å; F131-Y133 AromaticContact CD1-CE1 3.91Å; F131-Y133 HydrophobicContact CD1-CE1 3.91Å; F131-Y133 AromaticContact CD1-CE2 3.64Å; F131-Y133 HydrophobicContact CD1-CE2 3.64Å; F131-Y133 HydrophobicContact CD1-CG 4.02Å; F131-Y133 AromaticContact CD1-CZ 3.68Å; F131-Y133 AromaticContact CE1-CD1 3.72Å; F131-Y133 HydrophobicContact CE1-CD1 3.72Å; F131-Y133 HydrophobicContact CE1-CD2 4.3Å; F131-Y133 AromaticContact CE1-CE1 3.68Å; F131-Y133 HydrophobicContact CE1-CE1 3.68Å; F131-Y133 HydrophobicContact CE1-CE2 4.26Å; F131-Y133 HydrophobicContact CE1-CG 4.04Å; F131-Y133 AromaticContact CE1-CZ 3.95Å; F131-Y133 PolarHBondContact O-N 3.4Å; Y133-S135 VanDerWaalsContact C-N 3.31Å; Y133-C136 VanDerWaalsContact O-CB 3.25Å; Y133-C136 WeakPolarHBondContact O-CB 3.46Å; Y133-C136 PolarHBondContact O-N 3.02Å; Y133-C136 VanDerWaalsContact O-N 3.14Å
134	E	75.9	Confident	81.8	Confident	89 Å²	89	66.3 Å²	66.3	42%	0.416	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-69.2	-35.5	177.5	-64.3	-62.5	129.3	0	0	110.5	D132 C136 K137	D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 2.92Å; D132-E134 VanDerWaalsContact OD1-CB 3.29Å; D132-E134 WeakPolarHBondContact OD1-CB 3.44Å; D132-E134 PolarHBondContact OD1-N 3.36Å; E134-C136 PolarHBondContact O-N 2.88Å; E134-K137 WeakPolarHBondContact O-CB 3.08Å; E134-K137 PolarHBondContact O-N 2.84Å; E134-K137 WeakPolarHBondContact OE1-CE 3.38Å; E134-K137 IonicContact OE1-NZ 3.16Å; E134-K137 PolarHBondContact OE1-NZ 2.87Å; E134-K137 WeakPolarHBondContact OE2-CD 3.36Å; E134-K137 WeakPolarHBondContact OE2-CE 3.36Å; E134-K137 IonicContact OE2-NZ 3.4Å; E134-K137 PolarHBondContact OE2-NZ 2.89Å
135	S	71.7	Confident	82.8	Confident	60 Å²	60	58.3 Å²	58.3	42%	0.42	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-57.6	-20.9	170.9	78.8	0	0	0	0	114.1	D132 Y133	D132-S135 PolarHBondContact O-N 2.94Å; D132-S135 PolarHBondContact O-OG 2.86Å; D132-S135 PolarHBondContact OD2-N 2.84Å; Y133-S135 VanDerWaalsContact C-N 3.31Å
136	C	69.5	Low	83.5	Confident	13 Å²	13	54.1 Å²	54.1	9%	0.088	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-72.8	-27	174.9	-59.3	0	0	0	0	112.8	F123 Y133 E134 D138 N139	F123-C136 VanDerWaalsContact CE1-SG 3.53Å; F123-C136 HydrophobicContact CZ-CB 4.46Å; Y133-C136 VanDerWaalsContact O-CB 3.25Å; Y133-C136 WeakPolarHBondContact O-CB 3.46Å; Y133-C136 PolarHBondContact O-N 3.02Å; Y133-C136 VanDerWaalsContact O-N 3.14Å; E134-C136 PolarHBondContact O-N 2.88Å; C136-D138 PolarHBondContact O-N 2.82Å; C136-N139 WeakPolarHBondContact O-CB 3.4Å; C136-N139 PolarHBondContact O-N 2.8Å
137	K	69.9	Low	84.1	Confident	117 Å²	117	55 Å²	55	51%	0.509	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.4	-175.4	-67	-178.5	-177	165.3	0	112.6	E134 N139 K175	E134-K137 WeakPolarHBondContact O-CB 3.08Å; E134-K137 PolarHBondContact O-N 2.84Å; E134-K137 WeakPolarHBondContact OE1-CE 3.38Å; E134-K137 IonicContact OE1-NZ 3.16Å; E134-K137 PolarHBondContact OE1-NZ 2.87Å; E134-K137 WeakPolarHBondContact OE2-CD 3.36Å; E134-K137 WeakPolarHBondContact OE2-CE 3.36Å; E134-K137 IonicContact OE2-NZ 3.4Å; E134-K137 PolarHBondContact OE2-NZ 2.89Å; K137-N139 PolarHBondContact O-N 2.85Å; K137-K175 PolarHBondContact O-NZ 2.99Å
138	D	67.8	Low	84.7	Confident	157 Å²	157	52.3 Å²	52.3	84%	0.84	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.5	178.6	-70.4	-23.7	0	0	0	113.4	C136	C136-D138 PolarHBondContact O-N 2.82Å
139	N	76.9	Confident	85.2	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.064	29%	0.29	C	S	.	.	S	Bend	trans	-85.7	156.4	-179.9	-155.9	-4	0	0	0	112.4	R122 C136 K137 Y141 K175	R122-N139 VanDerWaalsContact NH1-CG 3.35Å; R122-N139 PolarHBondContact NH1-ND2 2.71Å; R122-N139 PolarHBondContact NH1-OD1 3.45Å; R122-N139 VanDerWaalsContact NH1-OD1 3.07Å; C136-N139 WeakPolarHBondContact O-CB 3.4Å; C136-N139 PolarHBondContact O-N 2.8Å; K137-N139 PolarHBondContact O-N 2.85Å; N139-Y141 PolarHBondContact O-N 2.85Å; N139-K175 WeakPolarHBondContact O-CE 3.32Å; N139-K175 PolarHBondContact O-NZ 2.83Å
140	D	89.9	Confident	86.1	Confident	48 Å²	48	49.3 Å²	49.3	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-70.4	-5.1	171.4	-169.2	33.8	0	0	0	112.4	Q174 K175 S176	D140-Q174 CarbonylContact O-C 3.55Å; D140-Q174 WeakPolarHBondContact O-CA 3.42Å; D140-Q174 WeakPolarHBondContact OD2-CG 3.34Å; D140-Q174 PolarHBondContact OD2-NE2 2.89Å; D140-K175 WeakPolarHBondContact O-CG 3.23Å; D140-K175 PolarHBondContact O-N 3.32Å; D140-K175 WeakPolarHBondContact OD1-CB 3.46Å; D140-S176 VanDerWaalsContact CG-OG 3.31Å; D140-S176 VanDerWaalsContact OD1-CB 3.25Å; D140-S176 WeakPolarHBondContact OD1-CB 3.43Å; D140-S176 PolarHBondContact OD1-N 2.94Å; D140-S176 PolarHBondContact OD1-OG 3.33Å; D140-S176 WeakPolarHBondContact OD2-CB 3.25Å; D140-S176 PolarHBondContact OD2-OG 2.64Å
141	Y	91.9	Very high	86.9	Confident	67 Å²	67	45.9 Å²	45.9	26%	0.263	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.5	-174.4	-59.9	-81.7	0	0	0	111.8	A118 N139 L173 Q174	A118-Y141 HydrophobicContact CB-CD1 3.69Å; A118-Y141 HydrophobicContact CB-CD2 3.53Å; A118-Y141 HydrophobicContact CB-CE1 3.79Å; A118-Y141 HydrophobicContact CB-CE2 3.64Å; A118-Y141 HydrophobicContact CB-CG 3.55Å; N139-Y141 PolarHBondContact O-N 2.85Å; Y141-L173 CarbonylContact C-O 3.54Å; Y141-L173 WeakPolarHBondContact CA-O 3.4Å; Y141-Q174 HydrophobicContact CD1-CB 3.92Å; Y141-Q174 HydrophobicContact CD1-CG 4.08Å; Y141-Q174 HydrophobicContact CE1-CB 3.75Å; Y141-Q174 HydrophobicContact CE1-CG 3.62Å; Y141-Q174 PolarHBondContact OH-NE2 2.86Å
142	I	93.2	Very high	87.4	Confident	23 Å²	23	47 Å²	47	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.7	171.7	-55	177.5	0	0	0	107.6	L33 I90 M144 C172 L173 K175	L33-I142 HydrophobicContact CB-CD1 4.38Å; L33-I142 HydrophobicContact CD2-CD1 4.13Å; L33-I142 HydrophobicContact CD2-CG2 4.28Å; I90-I142 HydrophobicContact CG2-CG2 3.92Å; I142-M144 HydrophobicContact CG2-CG 3.96Å; I142-M144 HydrophobicContact CG2-SD 4.24Å; I142-C172 WeakPolarHBondContact O-CA 3.42Å; I142-L173 HydrophobicContact CB-CB 4.38Å; I142-L173 HydrophobicContact CD1-CD2 4.25Å; I142-L173 PolarHBondContact N-O 3.33Å; I142-L173 PolarHBondContact O-N 3.14Å; I142-K175 HydrophobicContact CD1-CD 4.34Å; I142-K175 HydrophobicContact CD1-CG 3.96Å; I142-K175 HydrophobicContact CG1-CD 4.27Å; I142-K175 HydrophobicContact CG1-CG 3.98Å
143	F	95.3	Very high	87.7	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.9	173.6	-61.1	-83.4	0	0	0	109.9	I91 F97 W113 F116 A118 F119 F123 I171 C172	I91-F143 HydrophobicContact CB-CB 3.86Å; I91-F143 WeakPolarHBondContact CB-O 2.88Å; I91-F143 HydrophobicContact CG1-CB 3.75Å; I91-F143 WeakPolarHBondContact CG1-O 2.96Å; I91-F143 PolarHBondContact N-O 3.38Å; F97-F143 HydrophobicContact CE1-CB 3.92Å; F97-F143 HydrophobicContact CE1-CD1 4.31Å; F97-F143 HydrophobicContact CE1-CD2 4.1Å; F97-F143 AromaticContact CE1-CG 3.83Å; F97-F143 HydrophobicContact CE1-CG 3.83Å; F97-F143 HydrophobicContact CZ-CB 4.4Å; F97-F143 AromaticContact CZ-CD2 3.94Å; F97-F143 HydrophobicContact CZ-CD2 3.94Å; F97-F143 HydrophobicContact CZ-CG 4.16Å; W113-F143 HydrophobicContact CE3-CD1 4.08Å; W113-F143 HydrophobicContact CH2-CB 4.22Å; W113-F143 HydrophobicContact CZ3-CB 4.04Å; W113-F143 AromaticContact CZ3-CD1 3.84Å; W113-F143 HydrophobicContact CZ3-CD1 3.84Å; W113-F143 HydrophobicContact CZ3-CG 4.36Å; F116-F143 HydrophobicContact CB-CE1 4.2Å; F116-F143 HydrophobicContact CG-CE1 4.4Å; A118-F143 HydrophobicContact CB-CZ 4.08Å; F119-F143 HydrophobicContact CB-CE1 3.81Å; F119-F143 HydrophobicContact CB-CZ 3.93Å; F119-F143 HydrophobicContact CD2-CE1 4.43Å; F123-F143 HydrophobicContact CD2-CE2 4.01Å; F123-F143 HydrophobicContact CD2-CZ 4.31Å; F123-F143 HydrophobicContact CE2-CD2 4.5Å; F123-F143 AromaticContact CE2-CE2 3.62Å; F123-F143 HydrophobicContact CE2-CE2 3.62Å; F123-F143 HydrophobicContact CE2-CZ 4.2Å; F143-I171 CarbonylContact C-O 3.59Å; F143-I171 WeakPolarHBondContact CA-O 3.27Å; F143-C172 HydrophobicContact CD1-CB 4.09Å; F143-C172 HydrophobicContact CE1-CB 4.08Å
144	M	97.5	Very high	87.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.1	-178.9	-57.6	174.2	-73	0	0	111.1	L33 L66 E89 I90 W113 I142 W146 I171 L173	L33-M144 HydrophobicContact CD1-CE 4.46Å; L33-M144 HydrophobicContact CD1-SD 4.18Å; L33-M144 HydrophobicContact CD2-SD 3.78Å; L66-M144 HydrophobicContact CD2-SD 3.45Å; L66-M144 WeakPolarHBondContact CD2-SD 3.49Å; E89-M144 CarbonylContact O-C 3.46Å; E89-M144 WeakPolarHBondContact O-CA 3.04Å; E89-M144 VanDerWaalsContact O-CB 3.3Å; E89-M144 WeakPolarHBondContact O-CB 3.23Å; I90-M144 HydrophobicContact CG1-CG 4.31Å; I90-M144 HydrophobicContact CG1-SD 4.48Å; W113-M144 WeakPolarHBondContact CH2-O 3.3Å; I142-M144 HydrophobicContact CG2-CG 3.96Å; I142-M144 HydrophobicContact CG2-SD 4.24Å; M144-W146 HydrophobicContact CE-CZ2 3.87Å; M144-I171 HydrophobicContact CB-CB 4.12Å; M144-I171 HydrophobicContact CE-CB 4.43Å; M144-I171 HydrophobicContact CE-CG2 3.59Å; M144-I171 PolarHBondContact N-O 2.69Å; M144-I171 PolarHBondContact O-N 3.16Å; M144-L173 HydrophobicContact CE-CB 3.89Å
145	R	98.5	Very high	88.5	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.9	162.9	-73.1	179.6	-67.5	-93	-9.2	109.8	G88 E89 I91 G96 T99 W102 W113 F168 Y169	G88-R145 CarbonylContact C-O 3.52Å; G88-R145 WeakPolarHBondContact CA-O 3.33Å; E89-R145 PolarHBondContact N-O 3.42Å; E89-R145 PolarHBondContact O-N 2.77Å; E89-R145 IonicContact OE2-CZ 2.61Å; E89-R145 IonicContact OE2-NE 3.59Å; E89-R145 PolarHBondContact OE2-NE 2.72Å; E89-R145 IonicContact OE2-NH2 3.75Å; E89-R145 PolarHBondContact OE2-NH2 2.98Å; I91-R145 HydrophobicContact CD1-CG 4.48Å; G96-R145 PolarHBondContact O-NH1 2.63Å; G96-R145 PolarHBondContact O-NH2 2.58Å; G96-R145 VanDerWaalsContact O-NH2 3.16Å; T99-R145 WeakPolarHBondContact OG1-CD 3.34Å; W102-R145 HydrophobicContact CZ3-CB 4.42Å; W113-R145 HydrophobicContact CH2-CG 4.31Å; W113-R145 HydrophobicContact CZ2-CG 4.13Å; R145-F168 HydrophobicContact CB-CD2 4.36Å; R145-F168 HydrophobicContact CG-CD2 4.26Å; R145-F168 HydrophobicContact CG-CE2 4.13Å; R145-Y169 CarbonylContact C-O 3.56Å; R145-Y169 VanDerWaalsContact CA-O 3.23Å; R145-Y169 WeakPolarHBondContact CA-O 3.15Å
146	W	98.7	Very high	89.3	Confident	4 Å²	4	57 Å²	57	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.9	176.2	-63.8	-9.1	0	0	0	111	V54 I56 F86 M144 F168 Y169 I171 V180 L195 L197	V54-W146 HydrophobicContact CG1-CH2 3.95Å; V54-W146 HydrophobicContact CG1-CZ3 3.94Å; V54-W146 HydrophobicContact CG2-CZ3 4.09Å; I56-W146 HydrophobicContact CD1-CH2 4.47Å; I56-W146 HydrophobicContact CD1-CZ2 4.19Å; F86-W146 HydrophobicContact CD2-CB 3.89Å; F86-W146 HydrophobicContact CD2-CD2 4.22Å; F86-W146 AromaticContact CD2-CG 3.87Å; F86-W146 HydrophobicContact CD2-CG 3.87Å; F86-W146 HydrophobicContact CE2-CB 4.26Å; F86-W146 AromaticContact CE2-CD2 3.69Å; F86-W146 HydrophobicContact CE2-CD2 3.69Å; F86-W146 AromaticContact CE2-CE2 3.98Å; F86-W146 HydrophobicContact CE2-CE3 4.16Å; F86-W146 AromaticContact CE2-CG 3.74Å; F86-W146 HydrophobicContact CE2-CG 3.74Å; F86-W146 HydrophobicContact CZ-CD2 4.17Å; F86-W146 HydrophobicContact CZ-CE3 4.23Å; M144-W146 HydrophobicContact CE-CZ2 3.87Å; W146-F168 CarbonylContact O-C 3.57Å; W146-F168 VanDerWaalsContact O-CA 3.3Å; W146-F168 WeakPolarHBondContact O-CA 3.22Å; W146-F168 VanDerWaalsContact O-CB 3.28Å; W146-F168 WeakPolarHBondContact O-CB 3.36Å; W146-Y169 PolarHBondContact N-O 3.5Å; W146-Y169 PolarHBondContact O-N 2.94Å; W146-I171 HydrophobicContact CB-CG1 4.33Å; W146-I171 HydrophobicContact CD2-CD1 4.02Å; W146-I171 HydrophobicContact CD2-CG1 3.61Å; W146-I171 HydrophobicContact CE3-CD1 3.72Å; W146-I171 HydrophobicContact CE3-CG1 3.88Å; W146-I171 HydrophobicContact CG-CG1 3.81Å; W146-I171 HydrophobicContact CH2-CG2 4.31Å; W146-I171 HydrophobicContact CZ2-CG1 4.49Å; W146-I171 HydrophobicContact CZ2-CG2 4Å; W146-I171 HydrophobicContact CZ3-CD1 4.01Å; W146-I171 HydrophobicContact CZ3-CG1 4.41Å; W146-V180 HydrophobicContact CH2-CG1 4.16Å; W146-L195 HydrophobicContact CZ3-CD2 4.33Å; W146-L197 HydrophobicContact CZ3-CD1 4.43Å
147	K	98	Very high	90.2	Very high	23 Å²	23	57.4 Å²	57.4	10%	0.1	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.5	-180	177.3	56.8	-178.2	147.5	0	110	F86 K87 W102 K149 F165 D166 G167 F168	F86-K147 WeakPolarHBondContact CA-O 3.28Å; K87-K147 PolarHBondContact N-O 2.97Å; K87-K147 PolarHBondContact O-N 2.74Å; W102-K147 HydrophobicContact CD2-CD 4.48Å; W102-K147 HydrophobicContact CH2-CB 3.82Å; W102-K147 HydrophobicContact CH2-CG 4.28Å; W102-K147 HydrophobicContact CZ2-CB 3.97Å; W102-K147 HydrophobicContact CZ2-CG 3.93Å; W102-K147 HydrophobicContact CZ3-CB 4.22Å; K147-K149 HydrophobicContact CG-CD 4.35Å; K147-F165 PolarHBondContact NZ-O 2.94Å; K147-F165 VanDerWaalsContact NZ-O 3.11Å; K147-D166 PolarHBondContact NZ-O 2.97Å; K147-G167 WeakPolarHBondContact CD-O 3.33Å; K147-G167 WeakPolarHBondContact CE-O 3.4Å; K147-G167 PolarHBondContact NZ-O 3.34Å; K147-F168 HydrophobicContact CB-CB 4.26Å; K147-F168 HydrophobicContact CD-CB 3.98Å
148	E	97.1	Very high	90.8	Very high	11 Å²	11	58.4 Å²	58.4	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	143.7	169.3	-63.5	175.2	100.4	0	0	110.4	T84 F86 F165 Y169	T84-E148 VanDerWaalsContact CB-OE1 3.3Å; T84-E148 WeakPolarHBondContact CB-OE1 3.06Å; T84-E148 VanDerWaalsContact CG2-OE1 3.27Å; T84-E148 WeakPolarHBondContact CG2-OE1 3.33Å; T84-E148 PolarHBondContact OG1-OE1 3.25Å; F86-E148 HydrophobicContact CB-CG 4.21Å; E148-F165 HydrophobicContact CB-CB 3.93Å; E148-F165 HydrophobicContact CB-CD2 4.46Å; E148-F165 HydrophobicContact CG-CB 4.5Å; E148-Y169 HydrophobicContact CG-CE2 4.33Å; E148-Y169 WeakPolarHBondContact OE2-CE2 3.45Å
149	K	95.4	Very high	91.6	Very high	86 Å²	86	58 Å²	58	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-46.6	-173.9	-61.2	-59.8	-180	-177.6	0	112.6	F85 K87 K147	F85-K149 HydrophobicContact CD1-CB 4.27Å; F85-K149 HydrophobicContact CD1-CG 4.38Å; F85-K149 PolarHBondContact O-N 3.18Å; K87-K149 HydrophobicContact CG-CG 4.4Å; K147-K149 HydrophobicContact CG-CD 4.35Å
150	F	94.4	Very high	91.9	Very high	72 Å²	72	58 Å²	58	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	158.3	-176.8	53.7	-97.6	0	0	0	111.2	T84 F85 V152	T84-F150 CarbonylContact C-O 3.36Å; T84-F150 VanDerWaalsContact CA-O 3.3Å; T84-F150 WeakPolarHBondContact CA-O 3.46Å; F85-F150 HydrophobicContact CB-CD2 4.04Å; F85-F150 HydrophobicContact CB-CE1 4.15Å; F85-F150 HydrophobicContact CB-CE2 3.53Å; F85-F150 HydrophobicContact CB-CZ 3.59Å; F85-F150 HydrophobicContact CD1-CD1 4.38Å; F85-F150 AromaticContact CD1-CE1 3.55Å; F85-F150 HydrophobicContact CD1-CE1 3.55Å; F85-F150 HydrophobicContact CD1-CE2 4.38Å; F85-F150 AromaticContact CD1-CZ 3.55Å; F85-F150 HydrophobicContact CD1-CZ 3.55Å; F85-F150 HydrophobicContact CE1-CE1 4.31Å; F85-F150 HydrophobicContact CE1-CZ 4.4Å; F85-F150 HydrophobicContact CG-CE1 4.14Å; F85-F150 HydrophobicContact CG-CE2 4.14Å; F85-F150 AromaticContact CG-CZ 3.69Å; F85-F150 HydrophobicContact CG-CZ 3.69Å; F85-F150 PolarHBondContact N-O 3.49Å; F150-V152 HydrophobicContact CD2-CG2 4.14Å; F150-V152 HydrophobicContact CE2-CG2 3.94Å
151	L	93.8	Very high	91.6	Very high	10 Å²	10	61 Å²	61	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	149.8	170.7	-78.6	171.9	0	0	0	112.2	M82 T83 T84 D154 Y155 V157 I160 F165	M82-L151 HydrophobicContact CB-CD2 4.31Å; M82-L151 HydrophobicContact CE-CD2 4.2Å; T83-L151 CarbonylContact O-C 3.53Å; T83-L151 WeakPolarHBondContact O-CA 3.28Å; T83-L151 WeakPolarHBondContact O-CD2 3.39Å; T84-L151 HydrophobicContact CG2-CD2 3.7Å; T84-L151 HydrophobicContact CG2-CG 4.41Å; L151-D154 CarbonylContact O-C 3.48Å; L151-D154 VanDerWaalsContact O-C 3.27Å; L151-Y155 VanDerWaalsContact O-CA 3.3Å; L151-Y155 WeakPolarHBondContact O-CA 3.25Å; L151-Y155 PolarHBondContact O-N 2.88Å; L151-V157 HydrophobicContact CD1-CB 3.69Å; L151-V157 HydrophobicContact CD1-CG1 3.53Å; L151-I160 HydrophobicContact CD1-CD1 3.42Å; L151-I160 VanDerWaalsContact CD1-CD1 3.42Å; L151-I160 HydrophobicContact CD1-CG1 3.95Å; L151-I160 HydrophobicContact CD2-CD1 4.23Å; L151-I160 HydrophobicContact CG-CD1 4.14Å; L151-F165 HydrophobicContact CD1-CE1 4.29Å; L151-F165 HydrophobicContact CG-CE1 4.08Å
152	V	92.1	Very high	91.1	Very high	54 Å²	54	61.6 Å²	61.6	33%	0.327	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	172.5	179.9	0	0	0	0	107.6	Y69 T83 F85 F150	Y69-V152 HydrophobicContact CD1-CG2 4.36Å; Y69-V152 HydrophobicContact CE1-CG2 4.02Å; T83-V152 HydrophobicContact CG2-CB 4.27Å; T83-V152 PolarHBondContact O-N 2.9Å; F85-V152 HydrophobicContact CB-CG2 4.41Å; F150-V152 HydrophobicContact CD2-CG2 4.14Å; F150-V152 HydrophobicContact CE2-CG2 3.94Å
153	P	89.2	Confident	90.8	Very high	127 Å²	127	61.3 Å²	61.3	83%	0.825	33%	0.327	S	S	*	.	S	Bend	cis	-80.7	-18.4	2.5	32.4	-35.1	0	0	0	114.4	Y155	P153-Y155 PolarHBondContact O-N 2.77Å
154	D	89.2	Confident	90.3	Very high	80 Å²	80	63.4 Å²	63.4	43%	0.428	34%	0.342	S	S	.	.			trans	-90.9	91.6	-175	-167.2	-7.6	0	0	0	112.9	L151 K156 V157	L151-D154 CarbonylContact O-C 3.48Å; L151-D154 VanDerWaalsContact O-C 3.27Å; D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 VanDerWaalsContact O-N 3.12Å; D154-K156 VanDerWaalsContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.26Å; D154-V157 HydrophobicContact CB-CG2 3.96Å; D154-V157 PolarHBondContact O-N 2.61Å
155	Y	88.9	Confident	90	Very high	137 Å²	137	64 Å²	64	54%	0.537	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.2	177.4	71.5	-87.2	0	0	0	114.2	L151 P153 R158	L151-Y155 VanDerWaalsContact O-CA 3.3Å; L151-Y155 WeakPolarHBondContact O-CA 3.25Å; L151-Y155 PolarHBondContact O-N 2.88Å; P153-Y155 PolarHBondContact O-N 2.77Å; Y155-R158 PolarHBondContact O-NH1 2.98Å; Y155-R158 PolarHBondContact O-NH2 3.28Å
156	K	88.1	Confident	89.7	Confident	145 Å²	145	67.9 Å²	67.9	63%	0.63	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-19.3	177.8	-62.5	179	-179.4	174.1	0	112.7	D154 R158	D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 VanDerWaalsContact O-N 3.12Å; D154-K156 VanDerWaalsContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.26Å; K156-R158 PolarHBondContact O-N 2.84Å
157	V	87.3	Confident	89.5	Confident	23 Å²	23	67.8 Å²	67.8	14%	0.139	37%	0.366	C	S	.	.			trans	-62.8	130.9	174.2	-176.7	0	0	0	0	108.9	L151 D154 I160	L151-V157 HydrophobicContact CD1-CB 3.69Å; L151-V157 HydrophobicContact CD1-CG1 3.53Å; D154-V157 HydrophobicContact CB-CG2 3.96Å; D154-V157 PolarHBondContact O-N 2.61Å; V157-I160 HydrophobicContact CG1-CG1 4.05Å
158	R	84.3	Confident	89.5	Confident	137 Å²	137	66.7 Å²	66.7	52%	0.517	36%	0.361	S	S	.	.			trans	-123.6	-39.3	-179.6	-68.2	-72.1	175.6	-85.2	-2.7	111.9	Y155 K156	Y155-R158 PolarHBondContact O-NH1 2.98Å; Y155-R158 PolarHBondContact O-NH2 3.28Å; K156-R158 PolarHBondContact O-N 2.84Å
159	N	83.7	Confident	89.5	Confident	148 Å²	148	66.6 Å²	66.6	79%	0.791	36%	0.36	S	S	*	.			trans	-111.7	129	-178.8	-58.9	-37.1	0	0	0	108.3
160	I	84.2	Confident	89.7	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.072	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-122.6	128.3	175.7	-51.9	171.3	0	0	0	105.7	T76 Y79 M82 L151 V157 G162 A163 F165	T76-I160 HydrophobicContact CG2-CG2 3.89Å; Y79-I160 HydrophobicContact CD2-CG2 3.73Å; Y79-I160 HydrophobicContact CE2-CG2 4.07Å; M82-I160 HydrophobicContact CE-CD1 3.2Å; M82-I160 HydrophobicContact SD-CD1 3.95Å; M82-I160 HydrophobicContact SD-CG2 4.13Å; L151-I160 HydrophobicContact CD1-CD1 3.42Å; L151-I160 VanDerWaalsContact CD1-CD1 3.42Å; L151-I160 HydrophobicContact CD1-CG1 3.95Å; L151-I160 HydrophobicContact CD2-CD1 4.23Å; L151-I160 HydrophobicContact CG-CD1 4.14Å; V157-I160 HydrophobicContact CG1-CG1 4.05Å; I160-G162 PolarHBondContact O-N 3.22Å; I160-G162 VanDerWaalsContact O-N 3.17Å; I160-A163 HydrophobicContact CB-CB 4.25Å; I160-A163 HydrophobicContact CG2-CB 4.09Å; I160-A163 PolarHBondContact O-N 2.76Å; I160-F165 HydrophobicContact CD1-CD1 3.99Å; I160-F165 HydrophobicContact CD1-CE1 3.87Å; I160-F165 HydrophobicContact CG1-CE1 4.43Å
161	T	82.8	Confident	89.8	Confident	110 Å²	110	59.1 Å²	59.1	68%	0.675	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	122	179.1	-53	0	0	0	0	109.3	T76 A163	T76-T161 WeakPolarHBondContact CG2-O 3.15Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 2.8Å
162	G	82.1	Confident	90	Very high	80 Å²	80	58.9 Å²	58.9	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-3.6	178.2	0	0	0	0	0	116.1	I160	I160-G162 PolarHBondContact O-N 3.22Å; I160-G162 VanDerWaalsContact O-N 3.17Å
163	A	85.6	Confident	90.1	Very high	17 Å²	17	56.3 Å²	56.3	14%	0.14	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-137.5	154.1	179.9	0	0	0	0	0	112.6	L75 T76 M82 I160 T161	L75-A163 HydrophobicContact CD2-CB 3.62Å; L75-A163 HydrophobicContact CG-CB 4.01Å; T76-A163 HydrophobicContact CG2-CB 3.51Å; M82-A163 HydrophobicContact CE-CB 4.23Å; M82-A163 HydrophobicContact SD-CB 4.23Å; I160-A163 HydrophobicContact CB-CB 4.25Å; I160-A163 HydrophobicContact CG2-CB 4.09Å; I160-A163 PolarHBondContact O-N 2.76Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 2.8Å
164	S	86.1	Confident	90.3	Very high	50 Å²	50	52.4 Å²	52.4	35%	0.35	28%	0.282	S	S	.	.			trans	-147.6	144.1	172.7	165.6	0	0	0	0	110.1	D166 Y184	S164-D166 VanDerWaalsContact OG-CB 3.32Å; S164-D166 WeakPolarHBondContact OG-CB 3.44Å; S164-D166 VanDerWaalsContact OG-CG 3.25Å; S164-D166 PolarHBondContact OG-N 3.49Å; S164-D166 VanDerWaalsContact OG-N 3.09Å; S164-D166 PolarHBondContact OG-OD2 3.26Å; S164-Y184 PolarHBondContact O-OH 2.58Å
165	F	89.6	Confident	90.5	Very high	12 Å²	12	51 Å²	51	5%	0.053	27%	0.272	C	S	.	.			trans	-113.9	23.2	173.6	56.1	-92.9	0	0	0	111.4	T84 K147 E148 L151 I160 G167	T84-F165 HydrophobicContact CG2-CB 4.42Å; T84-F165 HydrophobicContact CG2-CG 4.45Å; K147-F165 PolarHBondContact NZ-O 2.94Å; K147-F165 VanDerWaalsContact NZ-O 3.11Å; E148-F165 HydrophobicContact CB-CB 3.93Å; E148-F165 HydrophobicContact CB-CD2 4.46Å; E148-F165 HydrophobicContact CG-CB 4.5Å; L151-F165 HydrophobicContact CD1-CE1 4.29Å; L151-F165 HydrophobicContact CG-CE1 4.08Å; I160-F165 HydrophobicContact CD1-CD1 3.99Å; I160-F165 HydrophobicContact CD1-CE1 3.87Å; I160-F165 HydrophobicContact CG1-CE1 4.43Å; F165-G167 VanDerWaalsContact C-N 3.32Å; F165-G167 PolarHBondContact O-N 3.29Å
166	D	92.4	Very high	90.5	Very high	86 Å²	86	48.2 Å²	48.2	46%	0.46	27%	0.273	S	S	.	.			trans	-77.1	-16.9	-176.6	-66.6	-45.5	0	0	0	113.7	K147 S164	K147-D166 PolarHBondContact NZ-O 2.97Å; S164-D166 VanDerWaalsContact OG-CB 3.32Å; S164-D166 WeakPolarHBondContact OG-CB 3.44Å; S164-D166 VanDerWaalsContact OG-CG 3.25Å; S164-D166 PolarHBondContact OG-N 3.49Å; S164-D166 VanDerWaalsContact OG-N 3.09Å; S164-D166 PolarHBondContact OG-OD2 3.26Å
167	G	94.8	Very high	90.7	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-83.8	-161.5	175.4	0	0	0	0	0	114.4	K147 F165 Y184 F185	K147-G167 WeakPolarHBondContact CD-O 3.33Å; K147-G167 WeakPolarHBondContact CE-O 3.4Å; K147-G167 PolarHBondContact NZ-O 3.34Å; F165-G167 VanDerWaalsContact C-N 3.32Å; F165-G167 PolarHBondContact O-N 3.29Å; G167-Y184 VanDerWaalsContact CA-OH 3.28Å; G167-Y184 WeakPolarHBondContact CA-OH 3.49Å; G167-Y184 PolarHBondContact N-OH 3.12Å; G167-F185 CarbonylContact C-O 3.51Å; G167-F185 WeakPolarHBondContact CA-O 3.43Å
168	F	97.7	Very high	90.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.9	172.1	67.9	-86	0	0	0	110	T99 W102 A104 R145 W146 K147 Y170 F185	T99-F168 HydrophobicContact CG2-CE1 4.32Å; T99-F168 HydrophobicContact CG2-CE2 4.41Å; T99-F168 HydrophobicContact CG2-CZ 3.88Å; W102-F168 HydrophobicContact CB-CD1 3.82Å; W102-F168 HydrophobicContact CB-CE1 3.84Å; W102-F168 HydrophobicContact CD2-CD1 4.19Å; W102-F168 HydrophobicContact CE3-CB 4.09Å; W102-F168 AromaticContact CE3-CD1 3.56Å; W102-F168 HydrophobicContact CE3-CD1 3.56Å; W102-F168 HydrophobicContact CE3-CD2 4.09Å; W102-F168 AromaticContact CE3-CE1 3.88Å; W102-F168 HydrophobicContact CE3-CE1 3.88Å; W102-F168 HydrophobicContact CE3-CE2 4.4Å; W102-F168 AromaticContact CE3-CG 3.66Å; W102-F168 HydrophobicContact CE3-CG 3.66Å; W102-F168 HydrophobicContact CE3-CZ 4.29Å; W102-F168 HydrophobicContact CG-CD1 4.35Å; W102-F168 HydrophobicContact CZ3-CB 4.35Å; W102-F168 HydrophobicContact CZ3-CD1 4.47Å; W102-F168 HydrophobicContact CZ3-CD2 4.27Å; W102-F168 HydrophobicContact CZ3-CG 4.13Å; A104-F168 HydrophobicContact CB-CE1 3.9Å; A104-F168 HydrophobicContact CB-CZ 3.73Å; R145-F168 HydrophobicContact CB-CD2 4.36Å; R145-F168 HydrophobicContact CG-CD2 4.26Å; R145-F168 HydrophobicContact CG-CE2 4.13Å; W146-F168 CarbonylContact O-C 3.57Å; W146-F168 VanDerWaalsContact O-CA 3.3Å; W146-F168 WeakPolarHBondContact O-CA 3.22Å; W146-F168 VanDerWaalsContact O-CB 3.28Å; W146-F168 WeakPolarHBondContact O-CB 3.36Å; K147-F168 HydrophobicContact CB-CB 4.26Å; K147-F168 HydrophobicContact CD-CB 3.98Å; F168-Y170 HydrophobicContact CD2-CD2 4.42Å; F168-Y170 HydrophobicContact CD2-CE2 4.31Å; F168-Y170 HydrophobicContact CE2-CD1 4.24Å; F168-Y170 AromaticContact CE2-CD2 3.81Å; F168-Y170 HydrophobicContact CE2-CD2 3.81Å; F168-Y170 AromaticContact CE2-CE1 3.86Å; F168-Y170 HydrophobicContact CE2-CE1 3.86Å; F168-Y170 AromaticContact CE2-CE2 3.37Å; F168-Y170 HydrophobicContact CE2-CE2 3.37Å; F168-Y170 HydrophobicContact CE2-CG 4.24Å; F168-Y170 AromaticContact CE2-CZ 3.4Å; F168-Y170 VanDerWaalsContact CE2-CZ 3.4Å; F168-Y170 HydrophobicContact CZ-CD2 4.43Å; F168-Y170 HydrophobicContact CZ-CE1 4.27Å; F168-Y170 AromaticContact CZ-CE2 3.57Å; F168-Y170 HydrophobicContact CZ-CE2 3.57Å; F168-Y170 AromaticContact CZ-CZ 3.48Å; F168-Y170 VanDerWaalsContact CZ-CZ 3.48Å; F168-Y170 WeakPolarHBondContact CZ-OH 3.43Å; F168-F185 HydrophobicContact CD1-CD1 4.16Å; F168-F185 AromaticContact CE1-CD1 3.49Å; F168-F185 HydrophobicContact CE1-CD1 3.49Å; F168-F185 VanDerWaalsContact CE1-CD1 3.49Å; F168-F185 HydrophobicContact CE1-CE1 4.16Å; F168-F185 HydrophobicContact CE1-CG 4.48Å; F168-F185 AromaticContact CZ-CD1 3.97Å; F168-F185 HydrophobicContact CZ-CD1 3.97Å; F168-F185 PolarHBondContact N-O 3.4Å; F168-F185 PolarHBondContact O-N 3.43Å
169	Y	98.3	Very high	91.5	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.3	177.5	-57.8	-96.9	0	0	0	110	Q43 L70 R145 W146 E148 I171 Y183 Y184 L195	Q43-Y169 PolarHBondContact OE1-OH 2.99Å; L70-Y169 HydrophobicContact CD1-CE2 4.21Å; R145-Y169 CarbonylContact C-O 3.56Å; R145-Y169 VanDerWaalsContact CA-O 3.23Å; R145-Y169 WeakPolarHBondContact CA-O 3.15Å; W146-Y169 PolarHBondContact N-O 3.5Å; W146-Y169 PolarHBondContact O-N 2.94Å; E148-Y169 HydrophobicContact CG-CE2 4.33Å; E148-Y169 WeakPolarHBondContact OE2-CE2 3.45Å; Y169-I171 HydrophobicContact CG-CD1 4.38Å; Y169-Y183 WeakPolarHBondContact CA-O 3.36Å; Y169-Y184 HydrophobicContact CD1-CD2 4Å; Y169-Y184 HydrophobicContact CD1-CG 4.45Å; Y169-Y184 HydrophobicContact CD2-CD2 4.15Å; Y169-Y184 AromaticContact CE1-CD2 3.63Å; Y169-Y184 HydrophobicContact CE1-CD2 3.63Å; Y169-Y184 HydrophobicContact CE1-CG 4.09Å; Y169-Y184 AromaticContact CE2-CD2 3.77Å; Y169-Y184 HydrophobicContact CE2-CD2 3.77Å; Y169-Y184 HydrophobicContact CE2-CE2 4.17Å; Y169-Y184 HydrophobicContact CG-CD2 4.25Å; Y169-Y184 AromaticContact CZ-CD2 3.48Å; Y169-Y184 VanDerWaalsContact CZ-CD2 3.48Å; Y169-L195 HydrophobicContact CD1-CD2 4.21Å
170	Y	98.3	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.7	156.2	-64.4	-93.9	0	0	0	107.5	D109 H112 W113 F168 G182 Y183 F185	D109-Y170 VanDerWaalsContact OD1-CE1 3.3Å; D109-Y170 WeakPolarHBondContact OD1-CE1 3.34Å; D109-Y170 PolarHBondContact OD1-OH 3Å; H112-Y170 HydrophobicContact CB-CD1 4.05Å; H112-Y170 HydrophobicContact CB-CD2 3.56Å; H112-Y170 HydrophobicContact CB-CE1 4.08Å; H112-Y170 HydrophobicContact CB-CE2 3.58Å; H112-Y170 HydrophobicContact CB-CG 3.79Å; H112-Y170 AromaticContact CD2-CD2 3.71Å; H112-Y170 AromaticContact CD2-CE2 3.77Å; H112-Y170 AromaticContact CG-CD2 3.69Å; H112-Y170 AromaticContact CG-CE2 3.49Å; H112-Y170 VanDerWaalsContact CG-CE2 3.49Å; W113-Y170 AromaticContact CD2-CD1 3.75Å; W113-Y170 HydrophobicContact CD2-CD1 3.75Å; W113-Y170 HydrophobicContact CD2-CE1 4.28Å; W113-Y170 AromaticContact CE2-CD1 3.41Å; W113-Y170 VanDerWaalsContact CE2-CD1 3.41Å; W113-Y170 AromaticContact CE2-CE1 3.7Å; W113-Y170 HydrophobicContact CE3-CD1 4.07Å; W113-Y170 HydrophobicContact CG-CD1 4.42Å; W113-Y170 AromaticContact CH2-CD1 3.8Å; W113-Y170 HydrophobicContact CH2-CD1 3.8Å; W113-Y170 AromaticContact CZ2-CD1 3.47Å; W113-Y170 HydrophobicContact CZ2-CD1 3.47Å; W113-Y170 VanDerWaalsContact CZ2-CD1 3.47Å; W113-Y170 AromaticContact CZ2-CE1 3.97Å; W113-Y170 HydrophobicContact CZ2-CE1 3.97Å; W113-Y170 HydrophobicContact CZ3-CD1 4.08Å; W113-Y170 AromaticContact NE1-CD1 3.88Å; W113-Y170 AromaticContact NE1-CE1 3.67Å; F168-Y170 HydrophobicContact CD2-CD2 4.42Å; F168-Y170 HydrophobicContact CD2-CE2 4.31Å; F168-Y170 HydrophobicContact CE2-CD1 4.24Å; F168-Y170 AromaticContact CE2-CD2 3.81Å; F168-Y170 HydrophobicContact CE2-CD2 3.81Å; F168-Y170 AromaticContact CE2-CE1 3.86Å; F168-Y170 HydrophobicContact CE2-CE1 3.86Å; F168-Y170 AromaticContact CE2-CE2 3.37Å; F168-Y170 HydrophobicContact CE2-CE2 3.37Å; F168-Y170 HydrophobicContact CE2-CG 4.24Å; F168-Y170 AromaticContact CE2-CZ 3.4Å; F168-Y170 VanDerWaalsContact CE2-CZ 3.4Å; F168-Y170 HydrophobicContact CZ-CD2 4.43Å; F168-Y170 HydrophobicContact CZ-CE1 4.27Å; F168-Y170 AromaticContact CZ-CE2 3.57Å; F168-Y170 HydrophobicContact CZ-CE2 3.57Å; F168-Y170 AromaticContact CZ-CZ 3.48Å; F168-Y170 VanDerWaalsContact CZ-CZ 3.48Å; F168-Y170 WeakPolarHBondContact CZ-OH 3.43Å; Y170-G182 CarbonylContact O-C 3.55Å; Y170-G182 WeakPolarHBondContact O-CA 3.48Å; Y170-Y183 PolarHBondContact N-O 3.06Å; Y170-Y183 PolarHBondContact O-N 3.11Å; Y170-F185 HydrophobicContact CD2-CB 4.21Å; Y170-F185 HydrophobicContact CE2-CB 3.7Å; Y170-F185 HydrophobicContact CE2-CG 4.3Å
171	I	98.2	Very high	92.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.7	-172.7	-57.1	-68.7	0	0	0	110.3	F143 M144 W146 Y169 V180 E181 L195	F143-I171 CarbonylContact C-O 3.59Å; F143-I171 WeakPolarHBondContact CA-O 3.27Å; M144-I171 HydrophobicContact CB-CB 4.12Å; M144-I171 HydrophobicContact CE-CB 4.43Å; M144-I171 HydrophobicContact CE-CG2 3.59Å; M144-I171 PolarHBondContact N-O 2.69Å; M144-I171 PolarHBondContact O-N 3.16Å; W146-I171 HydrophobicContact CB-CG1 4.33Å; W146-I171 HydrophobicContact CD2-CD1 4.02Å; W146-I171 HydrophobicContact CD2-CG1 3.61Å; W146-I171 HydrophobicContact CE3-CD1 3.72Å; W146-I171 HydrophobicContact CE3-CG1 3.88Å; W146-I171 HydrophobicContact CG-CG1 3.81Å; W146-I171 HydrophobicContact CH2-CG2 4.31Å; W146-I171 HydrophobicContact CZ2-CG1 4.49Å; W146-I171 HydrophobicContact CZ2-CG2 4Å; W146-I171 HydrophobicContact CZ3-CD1 4.01Å; W146-I171 HydrophobicContact CZ3-CG1 4.41Å; Y169-I171 HydrophobicContact CG-CD1 4.38Å; I171-V180 HydrophobicContact CG2-CG1 3.56Å; I171-E181 CarbonylContact C-O 3.57Å; I171-E181 WeakPolarHBondContact CA-O 3.14Å; I171-L195 HydrophobicContact CD1-CD2 3.9Å
172	C	96.3	Very high	93.6	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.6	169.8	-175.7	0	0	0	0	108.8	F116 I142 F143 V180 E181	F116-C172 HydrophobicContact CD1-CB 3.36Å; F116-C172 HydrophobicContact CE1-CB 3.49Å; F116-C172 VanDerWaalsContact CE1-CB 3.49Å; F116-C172 HydrophobicContact CG-CB 3.93Å; F116-C172 HydrophobicContact CZ-CB 4.18Å; I142-C172 WeakPolarHBondContact O-CA 3.42Å; F143-C172 HydrophobicContact CD1-CB 4.09Å; F143-C172 HydrophobicContact CE1-CB 4.08Å; C172-V180 WeakPolarHBondContact O-CA 3.17Å; C172-E181 PolarHBondContact N-O 3.33Å; C172-E181 PolarHBondContact O-N 2.85Å
173	L	95.6	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.9	170.9	167.2	67.6	0	0	0	109.2	L33 F39 Y141 I142 M144 V180	L33-L173 HydrophobicContact CB-CD2 3.6Å; L33-L173 HydrophobicContact CD1-CD2 4.21Å; L33-L173 HydrophobicContact CG-CD2 4.33Å; F39-L173 HydrophobicContact CE1-CD1 4.09Å; F39-L173 HydrophobicContact CZ-CD1 4.45Å; Y141-L173 CarbonylContact C-O 3.54Å; Y141-L173 WeakPolarHBondContact CA-O 3.4Å; I142-L173 HydrophobicContact CB-CB 4.38Å; I142-L173 HydrophobicContact CD1-CD2 4.25Å; I142-L173 PolarHBondContact N-O 3.33Å; I142-L173 PolarHBondContact O-N 3.14Å; M144-L173 HydrophobicContact CE-CB 3.89Å; L173-V180 HydrophobicContact CB-CG2 4.35Å; L173-V180 HydrophobicContact CD1-CG2 3.65Å
174	Q	93.9	Very high	94.8	Very high	44 Å²	44	27.2 Å²	27.2	21%	0.206	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.3	168.7	-172.8	173.6	5.7	0	0	110.1	D140 Y141 S176 T177 G178 T179	D140-Q174 CarbonylContact O-C 3.55Å; D140-Q174 WeakPolarHBondContact O-CA 3.42Å; D140-Q174 WeakPolarHBondContact OD2-CG 3.34Å; D140-Q174 PolarHBondContact OD2-NE2 2.89Å; Y141-Q174 HydrophobicContact CD1-CB 3.92Å; Y141-Q174 HydrophobicContact CD1-CG 4.08Å; Y141-Q174 HydrophobicContact CE1-CB 3.75Å; Y141-Q174 HydrophobicContact CE1-CG 3.62Å; Y141-Q174 PolarHBondContact OH-NE2 2.86Å; Q174-S176 PolarHBondContact NE2-OG 3.15Å; Q174-T177 WeakPolarHBondContact CB-OG1 3.46Å; Q174-T177 HydrophobicContact CG-CG2 4.46Å; Q174-T177 WeakPolarHBondContact CG-OG1 3.2Å; Q174-T177 PolarHBondContact OE1-OG1 2.96Å; Q174-G178 WeakPolarHBondContact O-CA 3.37Å; Q174-G178 PolarHBondContact O-N 3.48Å; Q174-T179 PolarHBondContact N-O 2.84Å
175	K	91.8	Very high	95.3	Very high	52 Å²	52	25 Å²	25	23%	0.226	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-44.3	-174.1	-62.1	173.3	-176	165.7	0	111.4	K137 N139 D140 I142 T177	K137-K175 PolarHBondContact O-NZ 2.99Å; N139-K175 WeakPolarHBondContact O-CE 3.32Å; N139-K175 PolarHBondContact O-NZ 2.83Å; D140-K175 WeakPolarHBondContact O-CG 3.23Å; D140-K175 PolarHBondContact O-N 3.32Å; D140-K175 WeakPolarHBondContact OD1-CB 3.46Å; I142-K175 HydrophobicContact CD1-CD 4.34Å; I142-K175 HydrophobicContact CD1-CG 3.96Å; I142-K175 HydrophobicContact CG1-CD 4.27Å; I142-K175 HydrophobicContact CG1-CG 3.98Å; K175-T177 PolarHBondContact O-N 3.37Å
176	S	90.1	Very high	95.6	Very high	78 Å²	78	25.7 Å²	25.7	55%	0.545	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.3	-175.6	60.3	0	0	0	0	114.4	D140 Q174	D140-S176 VanDerWaalsContact CG-OG 3.31Å; D140-S176 VanDerWaalsContact OD1-CB 3.25Å; D140-S176 WeakPolarHBondContact OD1-CB 3.43Å; D140-S176 PolarHBondContact OD1-N 2.94Å; D140-S176 PolarHBondContact OD1-OG 3.33Å; D140-S176 WeakPolarHBondContact OD2-CB 3.25Å; D140-S176 PolarHBondContact OD2-OG 2.64Å; Q174-S176 PolarHBondContact NE2-OG 3.15Å
177	T	91.6	Very high	95.5	Very high	74 Å²	74	27.5 Å²	27.5	45%	0.454	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-19.2	-174.9	58.2	0	0	0	0	113.3	Q174 K175 T179	Q174-T177 WeakPolarHBondContact CB-OG1 3.46Å; Q174-T177 HydrophobicContact CG-CG2 4.46Å; Q174-T177 WeakPolarHBondContact CG-OG1 3.2Å; Q174-T177 PolarHBondContact OE1-OG1 2.96Å; K175-T177 PolarHBondContact O-N 3.37Å; T177-T179 PolarHBondContact O-N 3.23Å; T177-T179 PolarHBondContact OG1-N 2.87Å; T177-T179 PolarHBondContact OG1-OG1 3.44Å
178	G	92.4	Very high	95.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.			trans	70.4	17.3	-172.9	0	0	0	0	0	114	Q174 H199	Q174-G178 WeakPolarHBondContact O-CA 3.37Å; Q174-G178 PolarHBondContact O-N 3.48Å; G178-H199 PolarHBondContact O-N 3.01Å
179	T	96	Very high	94.7	Very high	54 Å²	54	34.3 Å²	34.3	33%	0.331	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.3	177.8	57.5	0	0	0	0	110.3	Q174 T177 L197 T198	Q174-T179 PolarHBondContact N-O 2.84Å; T177-T179 PolarHBondContact O-N 3.23Å; T177-T179 PolarHBondContact OG1-N 2.87Å; T177-T179 PolarHBondContact OG1-OG1 3.44Å; T179-L197 WeakPolarHBondContact CA-O 3.32Å; T179-T198 HydrophobicContact CG2-CG2 4.39Å
180	V	98	Very high	94.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.2	173.9	-179.3	0	0	0	0	108.4	F39 W146 I171 C172 L173 S196 L197	F39-V180 HydrophobicContact CD1-CG2 3.69Å; F39-V180 HydrophobicContact CE1-CG2 3.78Å; F39-V180 HydrophobicContact CG-CG2 4.32Å; F39-V180 HydrophobicContact CZ-CG2 4.46Å; W146-V180 HydrophobicContact CH2-CG1 4.16Å; I171-V180 HydrophobicContact CG2-CG1 3.56Å; C172-V180 WeakPolarHBondContact O-CA 3.17Å; L173-V180 HydrophobicContact CB-CG2 4.35Å; L173-V180 HydrophobicContact CD1-CG2 3.65Å; V180-S196 WeakPolarHBondContact O-CA 3.19Å; V180-L197 HydrophobicContact CB-CB 4.06Å; V180-L197 HydrophobicContact CB-CD1 4.42Å; V180-L197 HydrophobicContact CG1-CD1 4.37Å; V180-L197 PolarHBondContact N-O 2.89Å; V180-L197 PolarHBondContact O-N 3.07Å
181	E	97.9	Very high	93.8	Very high	68 Å²	68	41.4 Å²	41.4	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142	169.2	-171.2	-174.9	168.5	0	0	108.6	F116 I171 C172 Y183 L195	F116-E181 HydrophobicContact CD1-CB 4.24Å; F116-E181 HydrophobicContact CD1-CG 4.08Å; F116-E181 HydrophobicContact CE1-CB 4Å; F116-E181 HydrophobicContact CE1-CG 3.87Å; F116-E181 WeakPolarHBondContact CE1-O 3.4Å; I171-E181 CarbonylContact C-O 3.57Å; I171-E181 WeakPolarHBondContact CA-O 3.14Å; C172-E181 PolarHBondContact N-O 3.33Å; C172-E181 PolarHBondContact O-N 2.85Å; E181-Y183 HydrophobicContact CG-CE2 4.16Å; E181-Y183 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y183 WeakPolarHBondContact OE1-CE2 3.45Å; E181-Y183 VanDerWaalsContact OE1-CZ 3.24Å; E181-Y183 PolarHBondContact OE1-OH 3.01Å; E181-L195 CarbonylContact C-O 3.46Å; E181-L195 WeakPolarHBondContact CA-O 3.28Å
182	G	98.3	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.4	176.8	0	0	0	0	0	114.3	Y170 S194 L195	Y170-G182 CarbonylContact O-C 3.55Å; Y170-G182 WeakPolarHBondContact O-CA 3.48Å; G182-S194 CarbonylContact O-C 3.53Å; G182-S194 WeakPolarHBondContact O-CA 3.25Å; G182-L195 PolarHBondContact N-O 2.61Å; G182-L195 PolarHBondContact O-N 3.43Å
183	Y	97.6	Very high	93.4	Very high	28 Å²	28	46.2 Å²	46.2	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.7	174.9	-62.8	-79	0	0	0	109.5	K115 F116 Y169 Y170 E181 Y192 Q193	K115-Y183 HydrophobicContact CB-CD2 3.78Å; K115-Y183 HydrophobicContact CB-CE1 4.35Å; K115-Y183 HydrophobicContact CB-CE2 3.39Å; K115-Y183 HydrophobicContact CB-CG 4.44Å; K115-Y183 HydrophobicContact CG-CD2 4.39Å; K115-Y183 HydrophobicContact CG-CE2 4.3Å; F116-Y183 HydrophobicContact CD1-CD2 4.42Å; F116-Y183 HydrophobicContact CD1-CE2 4.01Å; F116-Y183 AromaticContact CE1-CD2 3.74Å; F116-Y183 HydrophobicContact CE1-CD2 3.74Å; F116-Y183 AromaticContact CE1-CE2 3.68Å; F116-Y183 HydrophobicContact CE1-CE2 3.68Å; F116-Y183 HydrophobicContact CE2-CD2 4.01Å; F116-Y183 HydrophobicContact CE2-CE2 4.46Å; F116-Y183 AromaticContact CZ-CD2 3.51Å; F116-Y183 HydrophobicContact CZ-CD2 3.51Å; F116-Y183 AromaticContact CZ-CE2 3.94Å; F116-Y183 HydrophobicContact CZ-CE2 3.94Å; Y169-Y183 WeakPolarHBondContact CA-O 3.36Å; Y170-Y183 PolarHBondContact N-O 3.06Å; Y170-Y183 PolarHBondContact O-N 3.11Å; E181-Y183 HydrophobicContact CG-CE2 4.16Å; E181-Y183 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y183 WeakPolarHBondContact OE1-CE2 3.45Å; E181-Y183 VanDerWaalsContact OE1-CZ 3.24Å; E181-Y183 PolarHBondContact OE1-OH 3.01Å; Y183-Y192 HydrophobicContact CD1-CD1 4.34Å; Y183-Q193 WeakPolarHBondContact CA-O 3.29Å
184	Y	96.7	Very high	93.5	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.6	174.6	-175.9	-106.2	0	0	0	111.1	S164 G167 Y169 H186 Q193	S164-Y184 PolarHBondContact O-OH 2.58Å; G167-Y184 VanDerWaalsContact CA-OH 3.28Å; G167-Y184 WeakPolarHBondContact CA-OH 3.49Å; G167-Y184 PolarHBondContact N-OH 3.12Å; Y169-Y184 HydrophobicContact CD1-CD2 4Å; Y169-Y184 HydrophobicContact CD1-CG 4.45Å; Y169-Y184 HydrophobicContact CD2-CD2 4.15Å; Y169-Y184 AromaticContact CE1-CD2 3.63Å; Y169-Y184 HydrophobicContact CE1-CD2 3.63Å; Y169-Y184 HydrophobicContact CE1-CG 4.09Å; Y169-Y184 AromaticContact CE2-CD2 3.77Å; Y169-Y184 HydrophobicContact CE2-CD2 3.77Å; Y169-Y184 HydrophobicContact CE2-CE2 4.17Å; Y169-Y184 HydrophobicContact CG-CD2 4.25Å; Y169-Y184 AromaticContact CZ-CD2 3.48Å; Y169-Y184 VanDerWaalsContact CZ-CD2 3.48Å; Y184-H186 HydrophobicContact CE1-CB 3.67Å; Y184-Q193 PolarHBondContact N-O 2.92Å
185	F	96.2	Very high	93.7	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.6	170.7	172.1	-100.1	0	0	0	111	A104 I108 H112 G167 F168 Y170	A104-F185 HydrophobicContact CB-CD1 4.3Å; A104-F185 HydrophobicContact CB-CE1 3.96Å; I108-F185 HydrophobicContact CD1-CE2 4.03Å; I108-F185 HydrophobicContact CD1-CZ 3.69Å; I108-F185 HydrophobicContact CG1-CE2 4.28Å; I108-F185 HydrophobicContact CG1-CZ 4.37Å; I108-F185 HydrophobicContact CG2-CD1 4.22Å; I108-F185 HydrophobicContact CG2-CD2 3.71Å; I108-F185 HydrophobicContact CG2-CE1 4.05Å; I108-F185 HydrophobicContact CG2-CE2 3.52Å; I108-F185 HydrophobicContact CG2-CG 4.06Å; I108-F185 HydrophobicContact CG2-CZ 3.72Å; H112-F185 AromaticContact CE1-CD2 3.49Å; H112-F185 VanDerWaalsContact CE1-CD2 3.49Å; H112-F185 WeakPolarHBondContact CE1-CD2 3.4Å; H112-F185 AromaticContact NE2-CD2 3.78Å; G167-F185 CarbonylContact C-O 3.51Å; G167-F185 WeakPolarHBondContact CA-O 3.43Å; F168-F185 HydrophobicContact CD1-CD1 4.16Å; F168-F185 AromaticContact CE1-CD1 3.49Å; F168-F185 HydrophobicContact CE1-CD1 3.49Å; F168-F185 VanDerWaalsContact CE1-CD1 3.49Å; F168-F185 HydrophobicContact CE1-CE1 4.16Å; F168-F185 HydrophobicContact CE1-CG 4.48Å; F168-F185 AromaticContact CZ-CD1 3.97Å; F168-F185 HydrophobicContact CZ-CD1 3.97Å; F168-F185 PolarHBondContact N-O 3.4Å; F168-F185 PolarHBondContact O-N 3.43Å; Y170-F185 HydrophobicContact CD2-CB 4.21Å; Y170-F185 HydrophobicContact CE2-CB 3.7Å; Y170-F185 HydrophobicContact CE2-CG 4.3Å
186	H	94.7	Very high	94	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.125	24%	0.243	C	C	.	.			trans	-151.4	141.9	162.8	179.5	-112.3	0	0	0	108.2	Y184 T188 S189	Y184-H186 HydrophobicContact CE1-CB 3.67Å; H186-T188 PolarHBondContact CE1-OG1 3.27Å; H186-T188 PolarHBondContact ND1-OG1 3.07Å; H186-T188 PolarHBondContact O-N 3.49Å; H186-T188 VanDerWaalsContact O-N 3.11Å; H186-S189 WeakPolarHBondContact CB-OG 3.38Å; H186-S189 PolarHBondContact ND1-OG 2.97Å; H186-S189 PolarHBondContact O-N 3.32Å
187	K	91.9	Very high	94.4	Very high	124 Å²	124	42.2 Å²	42.2	54%	0.539	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.4	-170.8	62.6	173.4	171.7	-145.7	0	115.2	D103	D103-K187 HydrophobicContact CB-CB 4.29Å; D103-K187 HydrophobicContact CB-CD 4.19Å; D103-K187 IonicContact OD1-NZ 2.85Å; D103-K187 WeakPolarHBondContact OD2-CD 3.39Å; D103-K187 WeakPolarHBondContact OD2-CE 3.31Å; D103-K187 IonicContact OD2-NZ 2.69Å; D103-K187 PolarHBondContact OD2-NZ 3.02Å
188	T	88.5	Confident	94.7	Very high	113 Å²	113	42.3 Å²	42.3	69%	0.693	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.7	179.6	61.1	0	0	0	0	113.2	H186	H186-T188 PolarHBondContact CE1-OG1 3.27Å; H186-T188 PolarHBondContact ND1-OG1 3.07Å; H186-T188 PolarHBondContact O-N 3.49Å; H186-T188 VanDerWaalsContact O-N 3.11Å
189	S	87.4	Confident	94.8	Very high	31 Å²	31	43.6 Å²	43.6	22%	0.217	22%	0.224	C	C	.	.	S	Bend	trans	-97.6	163.4	-176.7	-61.6	0	0	0	0	111.5	H186 W191	H186-S189 WeakPolarHBondContact CB-OG 3.38Å; H186-S189 PolarHBondContact ND1-OG 2.97Å; H186-S189 PolarHBondContact O-N 3.32Å; S189-W191 PolarHBondContact O-N 2.99Å
190	E	87.2	Confident	94.7	Very high	64 Å²	64	42.6 Å²	42.6	30%	0.299	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-59.1	136.1	169.1	-164.1	-169.6	177.9	0	0	111	K46 Q193	K46-E190 WeakPolarHBondContact CD-OE1 3.36Å; K46-E190 WeakPolarHBondContact CE-OE1 3.43Å; K46-E190 WeakPolarHBondContact CG-OE1 3.29Å; K46-E190 IonicContact NZ-OE1 2.67Å; K46-E190 PolarHBondContact NZ-OE1 3.28Å; E190-Q193 HydrophobicContact CB-CG 4.42Å; E190-Q193 PolarHBondContact O-NE2 3.06Å
191	W	89.3	Confident	94	Very high	94 Å²	94	47.6 Å²	47.6	36%	0.356	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	147.9	175.7	-74	34.6	0	0	0	111.9	I108 K111 S189 Q193	I108-W191 HydrophobicContact CG1-CH2 4.48Å; K111-W191 HydrophobicContact CB-CZ3 4.19Å; K111-W191 HydrophobicContact CD-CH2 3.82Å; K111-W191 HydrophobicContact CD-CZ3 3.54Å; S189-W191 PolarHBondContact O-N 2.99Å; W191-Q193 VanDerWaalsContact C-N 3.34Å; W191-Q193 PolarHBondContact O-N 3.18Å
192	Y	91.3	Very high	92.8	Very high	75 Å²	75	48.7 Å²	48.7	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	35.7	170.7	-44.9	-58.2	0	0	0	115.2	H112 K115 Y183 S194	H112-Y192 AromaticContact CD2-CD1 3.95Å; H112-Y192 AromaticContact CD2-CE1 3.92Å; H112-Y192 AromaticContact NE2-CD1 3.99Å; H112-Y192 AromaticContact NE2-CE1 3.92Å; K115-Y192 HydrophobicContact CD-CD1 4.04Å; K115-Y192 HydrophobicContact CD-CE1 3.88Å; K115-Y192 HydrophobicContact CD-CG 4.49Å; K115-Y192 HydrophobicContact CG-CD1 3.78Å; K115-Y192 HydrophobicContact CG-CE1 3.63Å; Y183-Y192 HydrophobicContact CD1-CD1 4.34Å; Y192-S194 PolarHBondContact O-N 3.46Å
193	Q	95.1	Very high	91.1	Very high	32 Å²	32	58.1 Å²	58.1	15%	0.15	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	114.3	163.2	-53.5	173.5	41.3	0	0	107.2	K44 Y183 Y184 E190 W191	K44-Q193 CarbonylContact O-C 3.52Å; K44-Q193 WeakPolarHBondContact O-CA 3.15Å; Y183-Q193 WeakPolarHBondContact CA-O 3.29Å; Y184-Q193 PolarHBondContact N-O 2.92Å; E190-Q193 HydrophobicContact CB-CG 4.42Å; E190-Q193 PolarHBondContact O-NE2 3.06Å; W191-Q193 VanDerWaalsContact C-N 3.34Å; W191-Q193 PolarHBondContact O-N 3.18Å
194	S	97	Very high	89.1	Confident	30 Å²	30	62 Å²	62	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.1	-167.8	64.6	0	0	0	0	110.5	Q43 K44 G182 Y192	Q43-S194 CarbonylContact C-O 3.58Å; Q43-S194 VanDerWaalsContact CA-O 3.27Å; Q43-S194 WeakPolarHBondContact CA-O 3.21Å; K44-S194 PolarHBondContact N-O 2.88Å; K44-S194 PolarHBondContact O-N 3.36Å; G182-S194 CarbonylContact O-C 3.53Å; G182-S194 WeakPolarHBondContact O-CA 3.25Å; Y192-S194 PolarHBondContact O-N 3.46Å
195	L	98.1	Very high	87.3	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.1	173	-176.2	66.3	0	0	0	107.6	Q43 V52 W146 Y169 I171 E181 G182 L197	Q43-L195 HydrophobicContact CB-CD1 4.18Å; V52-L195 HydrophobicContact CB-CD1 4.27Å; V52-L195 HydrophobicContact CG1-CD1 3.98Å; V52-L195 HydrophobicContact CG2-CD1 4.23Å; W146-L195 HydrophobicContact CZ3-CD2 4.33Å; Y169-L195 HydrophobicContact CD1-CD2 4.21Å; I171-L195 HydrophobicContact CD1-CD2 3.9Å; E181-L195 CarbonylContact C-O 3.46Å; E181-L195 WeakPolarHBondContact CA-O 3.28Å; G182-L195 PolarHBondContact N-O 2.61Å; G182-L195 PolarHBondContact O-N 3.43Å; L195-L197 HydrophobicContact CD1-CD1 4.36Å; L195-L197 HydrophobicContact CD1-CD2 3.91Å; L195-L197 HydrophobicContact CD1-CG 4.14Å; L195-L197 HydrophobicContact CD2-CD1 4.07Å; L195-L197 HydrophobicContact CD2-CG 4.5Å; L195-L197 HydrophobicContact CG-CD1 4.16Å; L195-L197 HydrophobicContact CG-CD2 4.37Å; L195-L197 HydrophobicContact CG-CG 4.05Å
196	S	98.2	Very high	85.4	Confident	58 Å²	58	74.9 Å²	74.9	41%	0.406	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.3	179.3	-62.8	0	0	0	0	109.1	G41 H42 V180	G41-S196 CarbonylContact C-O 3.58Å; G41-S196 VanDerWaalsContact CA-O 3.29Å; G41-S196 WeakPolarHBondContact CA-O 3.4Å; H42-S196 PolarHBondContact N-O 3.16Å; H42-S196 PolarHBondContact O-N 2.67Å; V180-S196 WeakPolarHBondContact O-CA 3.19Å
197	L	98.5	Very high	83.5	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.016	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.5	-177.3	-42.7	166.2	0	0	0	111.1	F39 V40 V52 V54 W146 T179 V180 L195	F39-L197 HydrophobicContact CB-CB 3.9Å; F39-L197 HydrophobicContact CB-CD1 4.2Å; V40-L197 CarbonylContact O-C 3.48Å; V40-L197 WeakPolarHBondContact O-CA 3.43Å; V52-L197 HydrophobicContact CB-CD2 3.97Å; V52-L197 HydrophobicContact CG1-CD2 3.86Å; V54-L197 HydrophobicContact CB-CD1 4.02Å; V54-L197 HydrophobicContact CG2-CD1 3.58Å; W146-L197 HydrophobicContact CZ3-CD1 4.43Å; T179-L197 WeakPolarHBondContact CA-O 3.32Å; V180-L197 HydrophobicContact CB-CB 4.06Å; V180-L197 HydrophobicContact CB-CD1 4.42Å; V180-L197 HydrophobicContact CG1-CD1 4.37Å; V180-L197 PolarHBondContact N-O 2.89Å; V180-L197 PolarHBondContact O-N 3.07Å; L195-L197 HydrophobicContact CD1-CD1 4.36Å; L195-L197 HydrophobicContact CD1-CD2 3.91Å; L195-L197 HydrophobicContact CD1-CG 4.14Å; L195-L197 HydrophobicContact CD2-CD1 4.07Å; L195-L197 HydrophobicContact CD2-CG 4.5Å; L195-L197 HydrophobicContact CG-CD1 4.16Å; L195-L197 HydrophobicContact CG-CD2 4.37Å; L195-L197 HydrophobicContact CG-CG 4.05Å
198	T	97.4	Very high	82.1	Confident	76 Å²	76	80.9 Å²	80.9	47%	0.466	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	176.7	53.6	0	0	0	0	109.5	F39 V40 T179 V200	F39-T198 CarbonylContact C-O 3.59Å; F39-T198 VanDerWaalsContact CA-O 3.26Å; F39-T198 WeakPolarHBondContact CA-O 3.24Å; V40-T198 PolarHBondContact N-O 3.17Å; V40-T198 PolarHBondContact O-N 3.32Å; V40-T198 PolarHBondContact O-OG1 2.88Å; T179-T198 HydrophobicContact CG2-CG2 4.39Å; T198-V200 PolarHBondContact O-N 2.87Å
199	H	95.8	Very high	80.6	Confident	27 Å²	27	83 Å²	83	13%	0.125	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.4	176.9	179.9	-102.4	0	0	0	110.7	L32 Y34 R38 F39 G178	L32-H199 HydrophobicContact CB-CB 4.5Å; L32-H199 HydrophobicContact CD1-CB 3.9Å; Y34-H199 AromaticContact CZ-NE2 3.96Å; Y34-H199 PolarHBondContact OH-NE2 3.13Å; R38-H199 PolarHBondContact O-CD2 3.43Å; F39-H199 HydrophobicContact CD1-CB 3.94Å; F39-H199 HydrophobicContact CE1-CB 3.73Å; G178-H199 PolarHBondContact O-N 3.01Å
200	V	93.1	Very high	79.4	Confident	32 Å²	32	90.4 Å²	90.4	19%	0.194	46%	0.462	C	S	.	.			trans	-95.9	112.4	171	-176.6	0	0	0	0	108.6	R38 V40 T198 E202	R38-V200 PolarHBondContact O-N 3.18Å; V40-V200 HydrophobicContact CB-CG2 4.17Å; V40-V200 HydrophobicContact CG1-CG2 3.75Å; V40-V200 HydrophobicContact CG2-CG2 3.49Å; V40-V200 VanDerWaalsContact CG2-CG2 3.49Å; T198-V200 PolarHBondContact O-N 2.87Å; V200-E202 PolarHBondContact O-N 2.67Å; V200-E202 VanDerWaalsContact O-N 3.12Å
201	T	84.4	Confident	77.8	Confident	109 Å²	109	101.3 Å²	101.3	67%	0.669	50%	0.5	S	S	*	.			trans	-67.6	110.4	172.2	-49.7	0	0	0	0	109.8	K203	T201-K203 PolarHBondContact O-N 3.05Å
202	E	72.5	Confident	77.2	Confident	92 Å²	92	101.7 Å²	101.7	43%	0.43	51%	0.508	S	S	.	.			trans	-72.5	124	169.4	-65.1	-167.7	169.7	0	0	109.5	V200 T204	V200-E202 PolarHBondContact O-N 2.67Å; V200-E202 VanDerWaalsContact O-N 3.12Å; E202-T204 VanDerWaalsContact C-N 3.28Å
203	K	61.9	Low	76.5	Confident	198 Å²	198	103.1 Å²	103.1	86%	0.861	52%	0.519	S	S	*	.	S	Bend	trans	-82.4	-8	178.2	-67.5	-176.8	178.6	177.5	0	112.9	T201	T201-K203 PolarHBondContact O-N 3.05Å
204	T	55.3	Low	75.5	Confident	108 Å²	108	107 Å²	107	66%	0.663	54%	0.539	S	S	*	.	S	Bend	trans	-143.1	131.3	-169.9	44.8	0	0	0	0	109.8	E202	E202-T204 VanDerWaalsContact C-N 3.28Å
205	F	59.9	Low	74.2	Confident	173 Å²	173	111.5 Å²	111.5	76%	0.759	56%	0.559	S	S	*	*			trans	-91	133.4	176.1	-43.3	-80.7	0	0	0	109	V207	F205-V207 PolarHBondContact O-N 3.11Å
206	P	55.3	Low	72.7	Confident	106 Å²	106	118.5 Å²	118.5	69%	0.688	59%	0.594	S	S	*	*			trans	-65.3	123.1	174.3	23.4	-29.2	0	0	0	110	L208	P206-L208 PolarHBondContact O-N 3.39Å
207	V	55.5	Low	71	Confident	139 Å²	139	122.5 Å²	122.5	84%	0.842	61%	0.606	S	S	*	*			trans	-83.5	107.4	169.3	179	0	0	0	0	107.2	F205 E209	F205-V207 PolarHBondContact O-N 3.11Å; V207-E209 PolarHBondContact O-N 2.75Å
208	L	62.4	Low	69.1	Low	139 Å²	139	131.1 Å²	131.1	73%	0.728	65%	0.649	S	S	*	*			trans	-84.6	108.5	171.7	-68.3	171.5	0	0	0	108.5	P206 F210	P206-L208 PolarHBondContact O-N 3.39Å; L208-F210 HydrophobicContact CB-CE2 4.38Å
209	E	56.1	Low	66.9	Low	156 Å²	156	135.3 Å²	135.3	73%	0.729	66%	0.663	S	S	*	*			trans	-91.1	115	167.7	-162.6	-179.9	-142.2	0	0	108.2	V207	V207-E209 PolarHBondContact O-N 2.75Å
210	F	63.3	Low	64.5	Low	187 Å²	187	144.3 Å²	144.3	82%	0.82	71%	0.707	S	S	*	*			trans	-80.6	121.3	173	-66.9	-88.2	0	0	0	108.5	L208	L208-F210 HydrophobicContact CB-CE2 4.38Å
211	R	54	Low	61.9	Low	293 Å²	293	154.5 Å²	154.5	100%	1.106	75%	0.754	S	S	*	*			trans	-100.7	0	169.1	-75	-171.6	179.8	-171.7	0.3	110.8

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