A0A077Z112_TRITR Loading...

leucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z112, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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	35.7	Very low	50.7	Low	245 Å²	245	106.5 Å²	106.5	100%	1.207	65%	0.652	S	S	*	*				0	110.8	0	-78.6	172.4	177.3	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.22Å
2	A	38	Very low	50.2	Low	104 Å²	104	109.1 Å²	109.1	86%	0.86	65%	0.648	S	S	*	*			trans	-74.9	111.4	170.8	0	0	0	0	0	107.2	L4	A2-L4 PolarHBondContact O-N 2.92Å
3	S	46	Very low	49.5	Very low	111 Å²	111	104.7 Å²	104.7	78%	0.776	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.4	172.1	42	0	0	0	0	108.6	M1	M1-S3 PolarHBondContact O-N 3.22Å
4	L	48.1	Very low	49	Very low	161 Å²	161	106.9 Å²	106.9	84%	0.843	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-55.4	137.3	171.7	-75.4	160.1	0	0	0	108.4	A2	A2-L4 PolarHBondContact O-N 2.92Å
5	P	50.6	Low	48.6	Very low	84 Å²	84	106.5 Å²	106.5	55%	0.545	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-57.4	146	174	24.8	-31.8	0	0	0	109	A7	P5-A7 PolarHBondContact O-N 2.99Å; P5-A7 VanDerWaalsContact O-N 3.15Å
6	P	55.4	Low	47.8	Very low	89 Å²	89	104.6 Å²	104.6	58%	0.578	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.2	126.2	-179.3	21.9	-31	0	0	0	109.1	C8 C89	P6-C8 PolarHBondContact O-N 3.32Å; P6-C89 WeakPolarHBondContact O-CB 3.21Å
7	A	61.3	Low	46.7	Very low	92 Å²	92	104.1 Å²	104.1	76%	0.76	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.9	134.2	176	0	0	0	0	0	108.2	P5	P5-A7 PolarHBondContact O-N 2.99Å; P5-A7 VanDerWaalsContact O-N 3.15Å
8	C	60.9	Low	45.7	Very low	13 Å²	13	108.6 Å²	108.6	9%	0.088	64%	0.642	C	S	.	*	P	Polyproline II helix	trans	-59.4	132.8	177.2	-152.1	0	0	0	0	107.7	P6 N10 W47 C86 C89	P6-C8 PolarHBondContact O-N 3.32Å; C8-N10 PolarHBondContact O-N 2.82Å; C8-N10 VanDerWaalsContact O-N 3.15Å; C8-W47 HydrophobicContact CB-CH2 3.45Å; C8-W47 VanDerWaalsContact CB-CH2 3.45Å; C8-W47 HydrophobicContact CB-CZ2 3.25Å; C8-W47 WeakPolarHBondContact O-CH2 3.16Å; C8-W47 WeakPolarHBondContact SG-CZ2 3.19Å; C8-C86 VanDerWaalsContact SG-SG 3.67Å; C8-C89 HydrophobicContact CB-CB 3.61Å
9	P	58.4	Low	45.1	Very low	77 Å²	77	111.6 Å²	111.6	50%	0.5	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-65.9	121.2	-178.4	23.5	-30.5	0	0	0	108	M11 W47 T88	P9-M11 PolarHBondContact O-N 2.77Å; P9-W47 WeakPolarHBondContact O-CZ2 3.19Å; P9-T88 HydrophobicContact CG-CG2 3.65Å
10	N	52.9	Low	44.4	Very low	113 Å²	113	113.4 Å²	113.4	60%	0.604	65%	0.648	S	S	*	*			trans	-53.7	106.5	178.4	-134.2	-4.4	0	0	0	108.3	C8 F12 S13	C8-N10 PolarHBondContact O-N 2.82Å; C8-N10 VanDerWaalsContact O-N 3.15Å; N10-F12 CarbonylContact O-C 3.42Å; N10-F12 PolarHBondContact O-N 3.41Å; N10-F12 VanDerWaalsContact O-N 3.16Å; N10-S13 PolarHBondContact O-N 3.29Å
11	M	50.8	Low	43.9	Very low	83 Å²	83	111 Å²	111	41%	0.409	63%	0.632	S	S	.	*	S	Bend	trans	-65.2	-17	178.5	-91.3	173.5	85.7	0	0	111.5	P9 S13	P9-M11 PolarHBondContact O-N 2.77Å; M11-S13 VanDerWaalsContact C-N 3.29Å; M11-S13 PolarHBondContact O-N 2.89Å; M11-S13 VanDerWaalsContact O-N 3.16Å
12	F	44	Very low	43.9	Very low	137 Å²	137	105.2 Å²	105.2	60%	0.601	61%	0.605	S	S	*	*			trans	-82	72	162.4	-79.7	-88.6	0	0	0	110.9	N10	N10-F12 CarbonylContact O-C 3.42Å; N10-F12 PolarHBondContact O-N 3.41Å; N10-F12 VanDerWaalsContact O-N 3.16Å
13	S	41.5	Very low	44	Very low	52 Å²	52	102.4 Å²	102.4	36%	0.364	58%	0.575	S	S	.	*			trans	-71.2	138.2	148.8	172.7	0	0	0	0	107.5	N10 M11 S15 N16	N10-S13 PolarHBondContact O-N 3.29Å; M11-S13 VanDerWaalsContact C-N 3.29Å; M11-S13 PolarHBondContact O-N 2.89Å; M11-S13 VanDerWaalsContact O-N 3.16Å; S13-S15 WeakPolarHBondContact CB-OG 3.29Å; S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 PolarHBondContact OG-N 3.37Å; S13-S15 PolarHBondContact OG-OG 2.95Å; S13-N16 PolarHBondContact O-N 3.13Å
14	P	42.8	Very low	43.9	Very low	135 Å²	135	99.2 Å²	99.2	88%	0.877	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-14.3	171.7	6.5	-10.5	0	0	0	113.4	N16	P14-N16 VanDerWaalsContact C-N 3.35Å
15	S	42.9	Very low	43.8	Very low	101 Å²	101	94.3 Å²	94.3	71%	0.706	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-1.2	172.7	69.6	0	0	0	0	115.3	S13	S13-S15 WeakPolarHBondContact CB-OG 3.29Å; S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 PolarHBondContact OG-N 3.37Å; S13-S15 PolarHBondContact OG-OG 2.95Å
16	N	35.9	Very low	43.8	Very low	77 Å²	77	91.9 Å²	91.9	41%	0.412	50%	0.503	S	S	.	.			trans	-143.7	67.3	-179.3	-155.6	10.5	0	0	0	113	S13 P14 K18	S13-N16 PolarHBondContact O-N 3.13Å; P14-N16 VanDerWaalsContact C-N 3.35Å; N16-K18 PolarHBondContact O-N 3.06Å
17	P	28.8	Very low	43.3	Very low	96 Å²	96	92.6 Å²	92.6	62%	0.623	49%	0.494	S	S	*	.			trans	-74.9	125.7	174.2	31.7	-29.5	0	0	0	108.8
18	K	28.6	Very low	42.3	Very low	185 Å²	185	89.1 Å²	89.1	80%	0.804	47%	0.467	S	S	*	.			trans	86.4	78.1	-179.2	-51.6	178.9	179.6	-177.5	0	115.6	N16	N16-K18 PolarHBondContact O-N 3.06Å
19	R	33.5	Very low	41.3	Very low	166 Å²	166	94 Å²	94	63%	0.626	49%	0.492	S	S	*	.			trans	-134.2	79.4	138.4	-74.1	-170.1	177.1	176.9	-0.6	108.7	M21	R19-M21 HydrophobicContact CB-CB 4.25Å; R19-M21 HydrophobicContact CB-CG 4.21Å; R19-M21 PolarHBondContact O-N 3.21Å
20	D	32.2	Very low	40.3	Very low	146 Å²	146	94.3 Å²	94.3	78%	0.781	50%	0.495	S	S	*	.			trans	-66.5	74.1	149.2	-64.1	-35.3	0	0	0	106	I22	D20-I22 VanDerWaalsContact C-N 3.32Å; D20-I22 PolarHBondContact O-N 3.37Å
21	M	33.7	Very low	39.5	Very low	64 Å²	64	93.1 Å²	93.1	32%	0.315	50%	0.495	S	S	.	.			trans	-82.7	84.9	-175.7	-119.4	-178.6	40.9	0	0	107.8	R19 N23 P50	R19-M21 HydrophobicContact CB-CB 4.25Å; R19-M21 HydrophobicContact CB-CG 4.21Å; R19-M21 PolarHBondContact O-N 3.21Å; M21-N23 VanDerWaalsContact C-N 3.31Å; M21-N23 PolarHBondContact O-N 3.47Å; M21-P50 HydrophobicContact CE-CB 4.48Å; M21-P50 HydrophobicContact CE-CG 3.71Å
22	I	36.1	Very low	38.4	Very low	124 Å²	124	97.3 Å²	97.3	64%	0.636	52%	0.519	S	S	*	.			trans	-77.5	93.7	156	-56.5	176.8	0	0	0	105	D20 V24	D20-I22 VanDerWaalsContact C-N 3.32Å; D20-I22 PolarHBondContact O-N 3.37Å; I22-V24 HydrophobicContact CG2-CG2 3.71Å; I22-V24 PolarHBondContact O-N 3.46Å
23	N	39.7	Very low	37.7	Very low	44 Å²	44	100.9 Å²	100.9	24%	0.235	53%	0.529	C	S	.	.			trans	-74.2	118.7	165.2	-74.9	-5.9	0	0	0	106.6	M21 Y25 P50	M21-N23 VanDerWaalsContact C-N 3.31Å; M21-N23 PolarHBondContact O-N 3.47Å; N23-Y25 HydrophobicContact CB-CD2 3.88Å; N23-Y25 HydrophobicContact CB-CE2 3.37Å; N23-Y25 PolarHBondContact ND2-OH 3.14Å; N23-Y25 VanDerWaalsContact ND2-OH 3.15Å; N23-P50 HydrophobicContact CB-CB 3.98Å; N23-P50 WeakPolarHBondContact ND2-CB 3.23Å
24	V	43.1	Very low	37.4	Very low	44 Å²	44	104.3 Å²	104.3	27%	0.267	54%	0.542	S	S	.	.			trans	-107.9	110.4	168.6	-167.3	0	0	0	0	107	I22 L100 F104	I22-V24 HydrophobicContact CG2-CG2 3.71Å; I22-V24 PolarHBondContact O-N 3.46Å; V24-L100 HydrophobicContact CG1-CD1 3.81Å; V24-F104 HydrophobicContact CB-CE2 4.36Å; V24-F104 HydrophobicContact CB-CZ 4.06Å; V24-F104 HydrophobicContact CG1-CE1 3.75Å; V24-F104 HydrophobicContact CG1-CE2 3.79Å; V24-F104 HydrophobicContact CG1-CZ 3.16Å; V24-F104 HydrophobicContact CG2-CE2 4.31Å; V24-F104 HydrophobicContact CG2-CZ 4.48Å
25	Y	47.6	Very low	36.8	Very low	58 Å²	58	108.6 Å²	108.6	23%	0.227	54%	0.54	C	S	.	.			trans	-96.4	127.6	179.5	-64.7	-94.8	0	0	0	109.3	N23 R27 E41 V51 E53 L56	N23-Y25 HydrophobicContact CB-CD2 3.88Å; N23-Y25 HydrophobicContact CB-CE2 3.37Å; N23-Y25 PolarHBondContact ND2-OH 3.14Å; N23-Y25 VanDerWaalsContact ND2-OH 3.15Å; Y25-R27 VanDerWaalsContact C-N 3.27Å; Y25-R27 PolarHBondContact O-N 3.47Å; Y25-R27 VanDerWaalsContact O-N 3.09Å; Y25-E41 WeakPolarHBondContact CB-OE2 3.49Å; Y25-E41 WeakPolarHBondContact CD2-OE2 3.34Å; Y25-E41 PolarHBondContact N-OE2 2.77Å; Y25-V51 WeakPolarHBondContact CE2-O 3.4Å; Y25-E53 HydrophobicContact CD1-CB 4.39Å; Y25-E53 HydrophobicContact CD1-CG 4.07Å; Y25-E53 HydrophobicContact CE1-CB 3.86Å; Y25-E53 HydrophobicContact CE1-CG 3.97Å; Y25-L56 HydrophobicContact CD1-CD1 3.69Å; Y25-L56 HydrophobicContact CD2-CD1 3.24Å; Y25-L56 HydrophobicContact CE1-CD1 4.28Å; Y25-L56 HydrophobicContact CE2-CD1 3.84Å; Y25-L56 HydrophobicContact CG-CD1 3.11Å
26	F	50.3	Low	36.5	Very low	33 Å²	33	106.7 Å²	106.7	15%	0.145	52%	0.522	C	S	.	.			trans	-88.4	61.1	-179	-59.8	-88.5	0	0	0	110.7	F104 W108 P122 M154	F26-F104 HydrophobicContact CD1-CE1 4.46Å; F26-F104 HydrophobicContact CD1-CZ 4.4Å; F26-F104 AromaticContact CE1-CE1 3.93Å; F26-F104 HydrophobicContact CE1-CE1 3.93Å; F26-F104 AromaticContact CE1-CZ 3.55Å; F26-F104 HydrophobicContact CE1-CZ 3.55Å; F26-F104 AromaticContact CZ-CZ 3.88Å; F26-F104 HydrophobicContact CZ-CZ 3.88Å; F26-W108 HydrophobicContact CB-CH2 4.34Å; F26-W108 AromaticContact CD1-CD2 3.9Å; F26-W108 HydrophobicContact CD1-CD2 3.9Å; F26-W108 AromaticContact CD1-CE2 3.5Å; F26-W108 HydrophobicContact CD1-CE3 4.27Å; F26-W108 HydrophobicContact CD1-CG 4.49Å; F26-W108 AromaticContact CD1-CH2 3.96Å; F26-W108 HydrophobicContact CD1-CH2 3.96Å; F26-W108 AromaticContact CD1-CZ2 3.57Å; F26-W108 HydrophobicContact CD1-CZ2 3.57Å; F26-W108 HydrophobicContact CD1-CZ3 4.28Å; F26-W108 AromaticContact CD1-NE1 3.86Å; F26-W108 AromaticContact CE1-CD1 3.84Å; F26-W108 AromaticContact CE1-CD2 3.98Å; F26-W108 HydrophobicContact CE1-CD2 3.98Å; F26-W108 AromaticContact CE1-CE2 3.73Å; F26-W108 HydrophobicContact CE1-CG 4.09Å; F26-W108 HydrophobicContact CE1-CZ2 4.26Å; F26-W108 AromaticContact CE1-NE1 3.63Å; F26-P122 HydrophobicContact CB-CB 3.65Å; F26-P122 HydrophobicContact CB-CG 3.72Å; F26-P122 HydrophobicContact CD2-CG 4.17Å; F26-P122 HydrophobicContact CG-CB 4.12Å; F26-P122 HydrophobicContact CG-CG 4.08Å; F26-M154 HydrophobicContact CZ-CE 4.22Å; F26-M154 HydrophobicContact CZ-SD 4.03Å
27	R	43.6	Very low	36.9	Very low	105 Å²	105	109.3 Å²	109.3	40%	0.396	53%	0.526	S	S	.	.			trans	-97.9	90.6	174.7	-141.9	179.2	-171.1	-178.1	6.9	109.9	Y25 L56 V119	Y25-R27 VanDerWaalsContact C-N 3.27Å; Y25-R27 PolarHBondContact O-N 3.47Å; Y25-R27 VanDerWaalsContact O-N 3.09Å; R27-L56 PolarHBondContact NH1-O 3.01Å; R27-L56 VanDerWaalsContact NH1-O 3.13Å; R27-V119 WeakPolarHBondContact CG-O 3.35Å; R27-V119 PolarHBondContact NE-O 3.47Å
28	G	42.1	Very low	38	Very low	19 Å²	19	106.2 Å²	106.2	20%	0.196	50%	0.504	C	S	.	.			trans	-74.6	126.1	178.8	0	0	0	0	0	112	C30	G28-C30 PolarHBondContact O-N 3.3Å
29	L	38.6	Very low	39.3	Very low	115 Å²	115	97.6 Å²	97.6	60%	0.602	47%	0.467	S	S	*	.			trans	-61.5	125.6	160.6	-76.9	160	0	0	0	108.1	S31 P57 T59	L29-S31 PolarHBondContact O-N 3.19Å; L29-P57 HydrophobicContact CD1-CG 4.4Å; L29-P57 HydrophobicContact CD2-CG 4.23Å; L29-P57 HydrophobicContact CG-CG 4.08Å; L29-T59 HydrophobicContact CD1-CG2 4.35Å
30	C	38.7	Very low	40.6	Very low	84 Å²	84	91.2 Å²	91.2	57%	0.568	45%	0.447	S	S	*	.			trans	-68.7	83.2	167.3	-173.9	0	0	0	0	107.8	G28 C117	G28-C30 PolarHBondContact O-N 3.3Å; C30-C117 VanDerWaalsContact SG-SG 3.66Å
31	S	34.8	Very low	42.3	Very low	87 Å²	87	84.9 Å²	84.9	61%	0.608	41%	0.412	S	S	*	.			trans	-146.7	137.3	176.4	-172	0	0	0	0	110.5	L29 R33	L29-S31 PolarHBondContact O-N 3.19Å; S31-R33 PolarHBondContact O-N 2.94Å
32	D	28.2	Very low	43.6	Very low	172 Å²	172	82.5 Å²	82.5	92%	0.92	40%	0.402	S	S	*	.	S	Bend	trans	-64.8	14.7	-169.4	-64.5	-43.8	0	0	0	115.7
33	R	29	Very low	45.1	Very low	212 Å²	212	76.9 Å²	76.9	80%	0.8	37%	0.374	S	S	*	.			trans	-131.7	92.7	-178.9	-64.8	-172.9	-170.9	-177.3	4.5	110.5	S31 R35	S31-R33 PolarHBondContact O-N 2.94Å; R33-R35 PolarHBondContact O-N 3.44Å
34	I	34.7	Very low	46.4	Very low	123 Å²	123	78.7 Å²	78.7	63%	0.631	38%	0.38	S	S	*	.			trans	-69.4	74.8	166	-53.4	171.9	0	0	0	108.1	L36	I34-L36 HydrophobicContact CG2-CD1 4.12Å; I34-L36 HydrophobicContact CG2-CG 4.45Å
35	R	30.6	Very low	47	Very low	225 Å²	225	79.9 Å²	79.9	85%	0.849	38%	0.383	S	S	*	.			trans	-122.9	72.1	159.7	-75.1	-168.2	-179.6	-179.8	1.2	106.6	R33 R37	R33-R35 PolarHBondContact O-N 3.44Å; R35-R37 PolarHBondContact O-N 2.91Å; R35-R37 VanDerWaalsContact O-N 3.14Å
36	L	36.9	Very low	47.9	Very low	62 Å²	62	81.1 Å²	81.1	33%	0.325	40%	0.399	S	S	.	.			trans	-87.6	75.5	-171.8	-73.1	169.2	0	0	0	109.2	I34 I38 D105	I34-L36 HydrophobicContact CG2-CD1 4.12Å; I34-L36 HydrophobicContact CG2-CG 4.45Å; L36-I38 HydrophobicContact CB-CD1 4.22Å; L36-I38 HydrophobicContact CB-CG1 3.82Å; L36-I38 HydrophobicContact CD2-CG1 4.27Å; L36-I38 PolarHBondContact O-N 2.95Å; L36-D105 VanDerWaalsContact CB-OD2 3.32Å; L36-D105 WeakPolarHBondContact CB-OD2 3.16Å
37	R	43.5	Very low	48.9	Very low	131 Å²	131	82.1 Å²	82.1	49%	0.494	40%	0.402	S	S	.	.			trans	-72.6	84.7	153.2	-82.5	-171.5	-162.8	-137.4	9.3	106.7	R35 P39 L60 T99	R35-R37 PolarHBondContact O-N 2.91Å; R35-R37 VanDerWaalsContact O-N 3.14Å; R37-P39 WeakPolarHBondContact O-CD 3.49Å; R37-L60 HydrophobicContact CB-CD1 3.72Å; R37-L60 WeakPolarHBondContact O-CD1 3.28Å; R37-T99 HydrophobicContact CB-CG2 4.03Å; R37-T99 HydrophobicContact CG-CG2 4.49Å
38	I	53.5	Low	50.7	Low	31 Å²	31	79.6 Å²	79.6	16%	0.159	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-75.7	116.5	175.8	-51.2	-179.2	0	0	0	106.1	L36 T99 L100 F104	L36-I38 HydrophobicContact CB-CD1 4.22Å; L36-I38 HydrophobicContact CB-CG1 3.82Å; L36-I38 HydrophobicContact CD2-CG1 4.27Å; L36-I38 PolarHBondContact O-N 2.95Å; I38-T99 WeakPolarHBondContact O-CA 3.41Å; I38-L100 HydrophobicContact CB-CD1 4.1Å; I38-L100 HydrophobicContact CB-CG 4.48Å; I38-L100 HydrophobicContact CG2-CD1 4.3Å; I38-L100 PolarHBondContact O-N 2.95Å; I38-F104 HydrophobicContact CD1-CD1 4.49Å; I38-F104 HydrophobicContact CD1-CE1 4.43Å
39	P	54.9	Low	52.7	Low	4 Å²	4	78.9 Å²	78.9	3%	0.026	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-62.1	141	173.1	25.8	-30.3	0	0	0	108.3	R37 E41 I58 L60 W81	R37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-E41 PolarHBondContact O-N 2.98Å; P39-I58 HydrophobicContact CB-CG2 4.39Å; P39-I58 WeakPolarHBondContact CD-O 3.17Å; P39-I58 HydrophobicContact CG-CB 3.83Å; P39-I58 HydrophobicContact CG-CG2 3.62Å; P39-I58 WeakPolarHBondContact CG-O 3.37Å; P39-L60 HydrophobicContact CG-CD2 4.49Å; P39-W81 HydrophobicContact CB-CH2 3.99Å; P39-W81 HydrophobicContact CB-CZ2 4.13Å; P39-W81 HydrophobicContact CG-CZ2 4.28Å
40	V	60.8	Low	54.9	Low	33 Å²	33	74.4 Å²	74.4	20%	0.2	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-59.4	129	172.4	171.5	0	0	0	0	108	A42 E96 D98 L100	V40-A42 HydrophobicContact CG1-CB 4.09Å; V40-A42 PolarHBondContact O-N 3.36Å; V40-E96 HydrophobicContact CB-CB 3.89Å; V40-E96 HydrophobicContact CB-CG 3.47Å; V40-E96 VanDerWaalsContact CB-CG 3.47Å; V40-E96 HydrophobicContact CG1-CB 4.12Å; V40-E96 HydrophobicContact CG1-CG 3.82Å; V40-E96 HydrophobicContact CG2-CG 4.12Å; V40-D98 PolarHBondContact N-O 3.31Å; V40-D98 VanDerWaalsContact N-O 3.16Å; V40-L100 HydrophobicContact CG2-CD2 3.93Å; V40-L100 HydrophobicContact CG2-CG 4.43Å
41	E	67.6	Low	57.2	Low	13 Å²	13	70.6 Å²	70.6	6%	0.061	35%	0.348	C	S	.	.			trans	-84.6	56.8	-170.4	-65.9	168.9	147.1	0	0	110.8	Y25 P39 P50 V51 L56	Y25-E41 WeakPolarHBondContact CB-OE2 3.49Å; Y25-E41 WeakPolarHBondContact CD2-OE2 3.34Å; Y25-E41 PolarHBondContact N-OE2 2.77Å; P39-E41 PolarHBondContact O-N 2.98Å; E41-P50 WeakPolarHBondContact O-CA 3.34Å; E41-V51 HydrophobicContact CB-CB 4.23Å; E41-V51 HydrophobicContact CB-CG2 4.32Å; E41-V51 PolarHBondContact O-N 2.88Å; E41-L56 HydrophobicContact CB-CD2 4.42Å; E41-L56 HydrophobicContact CG-CD2 4.01Å; E41-L56 WeakPolarHBondContact OE1-CD2 3.34Å
42	A	62.5	Low	59.5	Low	13 Å²	13	68.6 Å²	68.6	11%	0.107	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.7	179.6	0	0	0	0	0	111.9	V40 A48 V49 E96	V40-A42 HydrophobicContact CG1-CB 4.09Å; V40-A42 PolarHBondContact O-N 3.36Å; A42-A48 HydrophobicContact CB-CB 4.5Å; A42-V49 CarbonylContact C-O 3.21Å; A42-V49 WeakPolarHBondContact CA-O 3.31Å; A42-E96 HydrophobicContact CB-CB 4.32Å; A42-E96 PolarHBondContact O-N 2.89Å
43	V	66.9	Low	62.1	Low	6 Å²	6	66 Å²	66	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.9	176.2	175.2	0	0	0	0	109.3	V49 V51 V84 A93 E94	V43-V49 PolarHBondContact N-O 3.26Å; V43-V49 PolarHBondContact O-N 3.24Å; V43-V51 HydrophobicContact CG2-CG2 3.94Å; V43-V84 HydrophobicContact CB-CG2 4.29Å; V43-V84 HydrophobicContact CG1-CG2 3.49Å; V43-V84 VanDerWaalsContact CG1-CG2 3.49Å; V43-V84 HydrophobicContact CG2-CG2 3.79Å; V43-A93 HydrophobicContact CG1-CB 3.2Å; V43-E94 CarbonylContact C-O 3.59Å; V43-E94 WeakPolarHBondContact CA-O 3.31Å
44	F	67.6	Low	64.7	Low	83 Å²	83	60.5 Å²	60.5	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.3	-179.1	-63.1	-84.7	0	0	0	111.4	A48 A93 E94 E96	F44-A48 HydrophobicContact CD1-CB 4.35Å; F44-A48 HydrophobicContact CE1-CB 3.79Å; F44-A48 HydrophobicContact CZ-CB 4.28Å; F44-A93 CarbonylContact O-C 3.56Å; F44-A93 VanDerWaalsContact O-CA 3.3Å; F44-A93 WeakPolarHBondContact O-CA 3.43Å; F44-A93 WeakPolarHBondContact O-CB 3.27Å; F44-E94 PolarHBondContact N-O 2.85Å; F44-E94 PolarHBondContact O-N 3.04Å; F44-E96 HydrophobicContact CE2-CB 3.78Å; F44-E96 HydrophobicContact CE2-CG 4.19Å; F44-E96 WeakPolarHBondContact CE2-OE2 3.33Å; F44-E96 WeakPolarHBondContact CZ-OE2 3.34Å
45	H	55	Low	67.1	Low	69 Å²	69	59.7 Å²	59.7	32%	0.319	31%	0.308	S	S	.	.	S	Bend	trans	-113	-29.5	165.6	-178.2	54.9	0	0	0	111.4	C86 C89 K92 A93	H45-C86 HydrophobicContact CB-CB 4.08Å; H45-C89 PolarHBondContact CD2-SG 3.08Å; H45-K92 PolarHBondContact CE1-O 3.11Å; H45-K92 PolarHBondContact ND1-O 3.49Å; H45-A93 HydrophobicContact CB-CB 3.89Å
46	S	65.6	Low	69.7	Low	83 Å²	83	49.4 Å²	49.4	58%	0.58	27%	0.27	S	S	*	.	S	Bend	trans	-163.8	-29.3	-176.6	-55.6	0	0	0	0	110.7
47	W	72.2	Confident	72	Confident	54 Å²	54	48.9 Å²	48.9	21%	0.205	27%	0.27	C	S	.	.	S	Bend	trans	-145.7	174.1	169.6	47.7	89.9	0	0	0	108.8	C8 P9	C8-W47 HydrophobicContact CB-CH2 3.45Å; C8-W47 VanDerWaalsContact CB-CH2 3.45Å; C8-W47 HydrophobicContact CB-CZ2 3.25Å; C8-W47 WeakPolarHBondContact O-CH2 3.16Å; C8-W47 WeakPolarHBondContact SG-CZ2 3.19Å; P9-W47 WeakPolarHBondContact O-CZ2 3.19Å
48	A	82.2	Confident	74	Confident	52 Å²	52	43.5 Å²	43.5	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.2	172.7	0	0	0	0	0	110.8	A42 F44	A42-A48 HydrophobicContact CB-CB 4.5Å; F44-A48 HydrophobicContact CD1-CB 4.35Å; F44-A48 HydrophobicContact CE1-CB 3.79Å; F44-A48 HydrophobicContact CZ-CB 4.28Å
49	V	83.4	Confident	75.6	Confident	4 Å²	4	46 Å²	46	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	173.2	-180	0	0	0	0	108.2	A42 V43 P87 T88	A42-V49 CarbonylContact C-O 3.21Å; A42-V49 WeakPolarHBondContact CA-O 3.31Å; V43-V49 PolarHBondContact N-O 3.26Å; V43-V49 PolarHBondContact O-N 3.24Å; V49-P87 HydrophobicContact CG1-CG 3.73Å; V49-T88 WeakPolarHBondContact CG1-OG1 3.08Å
50	P	83.7	Confident	77.1	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.143	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	142.2	177.4	29.2	-36.5	0	0	0	110.7	M21 N23 E41	M21-P50 HydrophobicContact CE-CB 4.48Å; M21-P50 HydrophobicContact CE-CG 3.71Å; N23-P50 HydrophobicContact CB-CB 3.98Å; N23-P50 WeakPolarHBondContact ND2-CB 3.23Å; E41-P50 WeakPolarHBondContact O-CA 3.34Å
51	V	87.1	Confident	78.3	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.024	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65	138.5	171.7	175	0	0	0	0	109.5	Y25 E41 V43 E55 L56 I58	Y25-V51 WeakPolarHBondContact CE2-O 3.4Å; E41-V51 HydrophobicContact CB-CB 4.23Å; E41-V51 HydrophobicContact CB-CG2 4.32Å; E41-V51 PolarHBondContact O-N 2.88Å; V43-V51 HydrophobicContact CG2-CG2 3.94Å; V51-E55 HydrophobicContact CG1-CB 3.73Å; V51-L56 HydrophobicContact CB-CD2 4.08Å; V51-L56 HydrophobicContact CG1-CD2 3.57Å; V51-L56 HydrophobicContact CG1-CG 4.44Å; V51-I58 HydrophobicContact CG1-CD1 3.95Å; V51-I58 HydrophobicContact CG1-CG1 4.14Å; V51-I58 HydrophobicContact CG2-CG1 4.34Å
52	P	84.6	Confident	79.1	Confident	44 Å²	44	54.9 Å²	54.9	29%	0.286	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-61.6	140.2	174.1	-22.5	34.5	0	0	0	111.7	A54 E55 P87	P52-A54 PolarHBondContact O-N 2.94Å; P52-E55 HydrophobicContact CB-CG 4.47Å; P52-E55 PolarHBondContact O-N 3.41Å; P52-P87 HydrophobicContact CG-CB 3.63Å; P52-P87 HydrophobicContact CG-CG 4.22Å
53	E	81.6	Confident	80	Confident	119 Å²	119	56 Å²	56	56%	0.556	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32	-178.1	-170.8	179	166.3	0	0	113.6	Y25 E55 L56	Y25-E53 HydrophobicContact CD1-CB 4.39Å; Y25-E53 HydrophobicContact CD1-CG 4.07Å; Y25-E53 HydrophobicContact CE1-CB 3.86Å; Y25-E53 HydrophobicContact CE1-CG 3.97Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.23Å; E53-L56 WeakPolarHBondContact O-CB 3.2Å; E53-L56 WeakPolarHBondContact O-CG 3.5Å; E53-L56 PolarHBondContact O-N 3.44Å
54	A	84.8	Confident	80.5	Confident	95 Å²	95	60.8 Å²	60.8	79%	0.785	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.4	178	0	0	0	0	0	114	P52 L56	P52-A54 PolarHBondContact O-N 2.94Å; A54-L56 VanDerWaalsContact C-N 3.26Å
55	E	85.2	Confident	80.9	Confident	107 Å²	107	61.3 Å²	61.3	50%	0.5	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-86.8	-0.6	177.2	-67.5	-178.8	-150.9	0	0	112.5	V51 P52 E53	V51-E55 HydrophobicContact CG1-CB 3.73Å; P52-E55 HydrophobicContact CB-CG 4.47Å; P52-E55 PolarHBondContact O-N 3.41Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.23Å
56	L	84.1	Confident	81.8	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	37%	0.373	C	S	.	.			trans	-90.4	143.8	-177.6	-53.7	-179.3	0	0	0	111.8	Y25 R27 E41 V51 E53 A54 I58	Y25-L56 HydrophobicContact CD1-CD1 3.69Å; Y25-L56 HydrophobicContact CD2-CD1 3.24Å; Y25-L56 HydrophobicContact CE1-CD1 4.28Å; Y25-L56 HydrophobicContact CE2-CD1 3.84Å; Y25-L56 HydrophobicContact CG-CD1 3.11Å; R27-L56 PolarHBondContact NH1-O 3.01Å; R27-L56 VanDerWaalsContact NH1-O 3.13Å; E41-L56 HydrophobicContact CB-CD2 4.42Å; E41-L56 HydrophobicContact CG-CD2 4.01Å; E41-L56 WeakPolarHBondContact OE1-CD2 3.34Å; V51-L56 HydrophobicContact CB-CD2 4.08Å; V51-L56 HydrophobicContact CG1-CD2 3.57Å; V51-L56 HydrophobicContact CG1-CG 4.44Å; E53-L56 WeakPolarHBondContact O-CB 3.2Å; E53-L56 WeakPolarHBondContact O-CG 3.5Å; E53-L56 PolarHBondContact O-N 3.44Å; A54-L56 VanDerWaalsContact C-N 3.26Å; L56-I58 HydrophobicContact CD2-CG1 4.07Å
57	P	86	Confident	82.1	Confident	51 Å²	51	63.2 Å²	63.2	33%	0.331	36%	0.358	S	S	.	.			cis	-83	147.1	5.6	32.5	-35.1	0	0	0	113.6	L29 T59	L29-P57 HydrophobicContact CD1-CG 4.4Å; L29-P57 HydrophobicContact CD2-CG 4.23Å; L29-P57 HydrophobicContact CG-CG 4.08Å; P57-T59 HydrophobicContact CG-CG2 4.5Å; P57-T59 PolarHBondContact O-N 3.24Å
58	I	85.4	Confident	82	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.097	37%	0.366	C	S	.	.			trans	-77.2	108.7	164.5	-58.5	-60.8	0	0	0	108.2	P39 V51 L56 W81	P39-I58 HydrophobicContact CB-CG2 4.39Å; P39-I58 WeakPolarHBondContact CD-O 3.17Å; P39-I58 HydrophobicContact CG-CB 3.83Å; P39-I58 HydrophobicContact CG-CG2 3.62Å; P39-I58 WeakPolarHBondContact CG-O 3.37Å; V51-I58 HydrophobicContact CG1-CD1 3.95Å; V51-I58 HydrophobicContact CG1-CG1 4.14Å; V51-I58 HydrophobicContact CG2-CG1 4.34Å; L56-I58 HydrophobicContact CD2-CG1 4.07Å; I58-W81 HydrophobicContact CG2-CZ2 3.86Å
59	T	86.9	Confident	81.5	Confident	82 Å²	82	70.4 Å²	70.4	50%	0.503	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-81.4	145	178.2	59.9	0	0	0	0	110.7	L29 P57 W81	L29-T59 HydrophobicContact CD1-CG2 4.35Å; P57-T59 HydrophobicContact CG-CG2 4.5Å; P57-T59 PolarHBondContact O-N 3.24Å; T59-W81 PolarHBondContact O-NE1 3.15Å
60	L	86	Confident	81.1	Confident	51 Å²	51	72.9 Å²	72.9	27%	0.267	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-59.5	151.8	169.4	-65.7	175.3	0	0	0	110.4	R37 P39 L75 T99	R37-L60 HydrophobicContact CB-CD1 3.72Å; R37-L60 WeakPolarHBondContact O-CD1 3.28Å; P39-L60 HydrophobicContact CG-CD2 4.49Å; L60-L75 HydrophobicContact CD2-CD1 3.85Å; L60-L75 HydrophobicContact CD2-CD2 4.26Å; L60-T99 HydrophobicContact CD2-CG2 4.31Å
61	P	86.6	Confident	80.3	Confident	19 Å²	19	83.7 Å²	83.7	12%	0.123	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-61.5	151.7	171.9	27.4	-32.9	0	0	0	110.2	V63 L75 F78 W81	P61-V63 HydrophobicContact CG-CG2 4.22Å; P61-V63 VanDerWaalsContact O-CG2 3.24Å; P61-V63 WeakPolarHBondContact O-CG2 3.45Å; P61-V63 PolarHBondContact O-N 2.8Å; P61-L75 HydrophobicContact CG-CD2 3.82Å; P61-F78 HydrophobicContact CB-CD1 3.45Å; P61-F78 VanDerWaalsContact CB-CD1 3.45Å; P61-F78 HydrophobicContact CB-CE1 3.79Å; P61-F78 HydrophobicContact CB-CG 4.11Å; P61-F78 HydrophobicContact CG-CB 4.3Å; P61-F78 HydrophobicContact CG-CD1 3.46Å; P61-F78 VanDerWaalsContact CG-CD1 3.46Å; P61-F78 HydrophobicContact CG-CD2 4.14Å; P61-F78 HydrophobicContact CG-CE1 3.71Å; P61-F78 HydrophobicContact CG-CE2 4.36Å; P61-F78 HydrophobicContact CG-CG 3.69Å; P61-F78 HydrophobicContact CG-CZ 4.17Å; P61-W81 HydrophobicContact CB-CB 4.06Å; P61-W81 HydrophobicContact CB-CG 3.91Å; P61-W81 HydrophobicContact CG-CD2 4.3Å; P61-W81 HydrophobicContact CG-CG 4.14Å
62	D	83.6	Confident	79.5	Confident	168 Å²	168	90 Å²	90	90%	0.898	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-65.2	123.9	170.2	-66.4	-42.9	0	0	0	109.1
63	V	81.2	Confident	79.3	Confident	37 Å²	37	89.8 Å²	89.8	22%	0.224	46%	0.462	C	S	.	.			trans	-135.8	143.9	178.3	-156.5	0	0	0	0	108.2	P61 A67 M68 F73 F78	P61-V63 HydrophobicContact CG-CG2 4.22Å; P61-V63 VanDerWaalsContact O-CG2 3.24Å; P61-V63 WeakPolarHBondContact O-CG2 3.45Å; P61-V63 PolarHBondContact O-N 2.8Å; V63-A67 HydrophobicContact CG1-CB 3.8Å; V63-M68 HydrophobicContact CB-CG 3.94Å; V63-M68 HydrophobicContact CG1-CG 4.25Å; V63-M68 HydrophobicContact CG2-CG 4.43Å; V63-F73 HydrophobicContact CB-CE2 4.25Å; V63-F73 HydrophobicContact CG1-CD2 4.43Å; V63-F73 HydrophobicContact CG1-CE2 3.76Å; V63-F73 HydrophobicContact CG2-CE2 3.79Å; V63-F73 HydrophobicContact CG2-CZ 3.89Å; V63-F78 HydrophobicContact CB-CZ 4.31Å; V63-F78 HydrophobicContact CG1-CE1 4.5Å; V63-F78 HydrophobicContact CG1-CZ 3.88Å; V63-F78 HydrophobicContact CG2-CE1 3.78Å; V63-F78 HydrophobicContact CG2-CE2 4.45Å; V63-F78 HydrophobicContact CG2-CZ 3.5Å; V63-F78 VanDerWaalsContact CG2-CZ 3.5Å
64	D	78.5	Confident	79.4	Confident	105 Å²	105	86 Å²	86	56%	0.561	45%	0.448	S	S	*	.			trans	-63	147.6	168.2	66.6	54.2	0	0	0	111.3	E66 A67 M68	D64-E66 PolarHBondContact O-N 3.15Å; D64-E66 VanDerWaalsContact O-N 3.17Å; D64-E66 PolarHBondContact OD1-N 2.76Å; D64-A67 PolarHBondContact O-N 3.39Å; D64-A67 WeakPolarHBondContact OD1-CA 3.42Å; D64-A67 WeakPolarHBondContact OD1-CB 3.4Å; D64-A67 PolarHBondContact OD1-N 3.09Å; D64-M68 PolarHBondContact O-N 2.91Å
65	D	74.6	Confident	79.6	Confident	94 Å²	94	81.8 Å²	81.8	50%	0.503	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-24	-176.9	-89.2	-19.4	0	0	0	112.6	R69	D65-R69 WeakPolarHBondContact O-CG 3.39Å; D65-R69 PolarHBondContact O-N 2.85Å
66	E	73.8	Confident	79.6	Confident	159 Å²	159	83.7 Å²	83.7	74%	0.743	42%	0.415	S	S	*	.	H	α-helix	trans	-79	-43.1	-176.3	-168	153.7	-165.1	0	0	111.3	D64 M68 R69 S70	D64-E66 PolarHBondContact O-N 3.15Å; D64-E66 VanDerWaalsContact O-N 3.17Å; D64-E66 PolarHBondContact OD1-N 2.76Å; E66-M68 VanDerWaalsContact C-N 3.34Å; E66-M68 PolarHBondContact O-N 3.18Å; E66-R69 PolarHBondContact O-N 3.27Å; E66-R69 VanDerWaalsContact O-N 3.14Å; E66-S70 PolarHBondContact O-N 3.06Å
67	A	72.5	Confident	79.8	Confident	34 Å²	34	90 Å²	90	28%	0.281	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-39.3	172.5	0	0	0	0	0	111.2	V63 D64 R69 S70	V63-A67 HydrophobicContact CG1-CB 3.8Å; D64-A67 PolarHBondContact O-N 3.39Å; D64-A67 WeakPolarHBondContact OD1-CA 3.42Å; D64-A67 WeakPolarHBondContact OD1-CB 3.4Å; D64-A67 PolarHBondContact OD1-N 3.09Å; A67-R69 PolarHBondContact O-N 3.33Å; A67-S70 VanDerWaalsContact O-CB 3.27Å; A67-S70 WeakPolarHBondContact O-CB 3.41Å; A67-S70 PolarHBondContact O-N 2.83Å; A67-S70 VanDerWaalsContact O-N 3.08Å; A67-S70 PolarHBondContact O-OG 3.15Å
68	M	70	Confident	79.9	Confident	73 Å²	73	89.8 Å²	89.8	36%	0.36	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-29.3	173.8	-79.5	-144.9	-67.9	0	0	113.7	V63 D64 E66 S70 F73	V63-M68 HydrophobicContact CB-CG 3.94Å; V63-M68 HydrophobicContact CG1-CG 4.25Å; V63-M68 HydrophobicContact CG2-CG 4.43Å; D64-M68 PolarHBondContact O-N 2.91Å; E66-M68 VanDerWaalsContact C-N 3.34Å; E66-M68 PolarHBondContact O-N 3.18Å; M68-S70 VanDerWaalsContact C-N 3.33Å; M68-F73 HydrophobicContact CG-CE2 4.32Å; M68-F73 HydrophobicContact CG-CZ 4.42Å
69	R	71.6	Confident	80.1	Confident	183 Å²	183	92.1 Å²	92.1	69%	0.691	45%	0.454	S	S	*	.	H	α-helix	trans	-82.7	-12.1	176.1	-71	176	-162.8	141.1	9.8	113	D65 E66 A67	D65-R69 WeakPolarHBondContact O-CG 3.39Å; D65-R69 PolarHBondContact O-N 2.85Å; E66-R69 PolarHBondContact O-N 3.27Å; E66-R69 VanDerWaalsContact O-N 3.14Å; A67-R69 PolarHBondContact O-N 3.33Å
70	S	75.9	Confident	80.4	Confident	56 Å²	56	94.3 Å²	94.3	39%	0.392	47%	0.467	S	S	.	.	S	Bend	trans	-65.4	140.1	177.4	83.9	0	0	0	0	110.3	E66 A67 M68 N72 F73	E66-S70 PolarHBondContact O-N 3.06Å; A67-S70 VanDerWaalsContact O-CB 3.27Å; A67-S70 WeakPolarHBondContact O-CB 3.41Å; A67-S70 PolarHBondContact O-N 2.83Å; A67-S70 VanDerWaalsContact O-N 3.08Å; A67-S70 PolarHBondContact O-OG 3.15Å; M68-S70 VanDerWaalsContact C-N 3.33Å; S70-N72 PolarHBondContact O-N 2.84Å; S70-N72 VanDerWaalsContact O-N 3.08Å; S70-F73 PolarHBondContact O-N 3.39Å; S70-F73 PolarHBondContact OG-N 3.32Å
71	R	65.9	Low	80.6	Confident	249 Å²	249	93.3 Å²	93.3	94%	0.94	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.7	178.2	-72.1	-168.5	-69.5	-158.3	-2.9	113.7
72	N	70.8	Confident	80.7	Confident	138 Å²	138	93.9 Å²	93.9	74%	0.738	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	9.3	-175.6	-68.4	-1.2	0	0	0	113	S70 S74	S70-N72 PolarHBondContact O-N 2.84Å; S70-N72 VanDerWaalsContact O-N 3.08Å; N72-S74 PolarHBondContact O-N 3.47Å
73	F	79.3	Confident	81.2	Confident	39 Å²	39	93.8 Å²	93.8	17%	0.171	45%	0.447	C	S	.	.			trans	-59.7	120.4	178.5	-178.6	-99.2	0	0	0	111.4	V63 M68 S70 L75 F78	V63-F73 HydrophobicContact CB-CE2 4.25Å; V63-F73 HydrophobicContact CG1-CD2 4.43Å; V63-F73 HydrophobicContact CG1-CE2 3.76Å; V63-F73 HydrophobicContact CG2-CE2 3.79Å; V63-F73 HydrophobicContact CG2-CZ 3.89Å; M68-F73 HydrophobicContact CG-CE2 4.32Å; M68-F73 HydrophobicContact CG-CZ 4.42Å; S70-F73 PolarHBondContact O-N 3.39Å; S70-F73 PolarHBondContact OG-N 3.32Å; F73-L75 HydrophobicContact CE1-CD2 4.01Å; F73-L75 HydrophobicContact CZ-CD2 3.88Å; F73-F78 HydrophobicContact CD2-CE2 4.48Å; F73-F78 AromaticContact CE2-CE2 3.57Å; F73-F78 HydrophobicContact CE2-CE2 3.57Å; F73-F78 AromaticContact CE2-CZ 3.72Å; F73-F78 HydrophobicContact CE2-CZ 3.72Å; F73-F78 AromaticContact CZ-CE2 3.92Å; F73-F78 HydrophobicContact CZ-CE2 3.92Å; F73-F78 HydrophobicContact CZ-CZ 4.22Å
74	S	85.7	Confident	81.7	Confident	38 Å²	38	93.5 Å²	93.5	27%	0.266	45%	0.445	S	S	.	.			trans	-139.6	130.9	179.1	-174.5	0	0	0	0	111.3	N72 R76 E77	N72-S74 PolarHBondContact O-N 3.47Å; S74-R76 PolarHBondContact O-N 3.24Å; S74-R76 VanDerWaalsContact O-N 3.1Å; S74-R76 WeakPolarHBondContact OG-CB 3.19Å; S74-R76 PolarHBondContact OG-N 2.8Å; S74-E77 PolarHBondContact O-N 3.25Å
75	L	87.3	Confident	82.3	Confident	7 Å²	7	93 Å²	93	4%	0.037	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-64.8	-14.1	175.3	-62.9	179.9	0	0	0	112.8	L60 P61 F73 E77 F78 W81 T97 T99	L60-L75 HydrophobicContact CD2-CD1 3.85Å; L60-L75 HydrophobicContact CD2-CD2 4.26Å; P61-L75 HydrophobicContact CG-CD2 3.82Å; F73-L75 HydrophobicContact CE1-CD2 4.01Å; F73-L75 HydrophobicContact CZ-CD2 3.88Å; L75-E77 PolarHBondContact O-N 3.1Å; L75-F78 HydrophobicContact CD2-CD2 4.37Å; L75-F78 PolarHBondContact O-N 2.96Å; L75-W81 HydrophobicContact CB-CZ3 4.06Å; L75-W81 HydrophobicContact CD1-CH2 3.9Å; L75-W81 HydrophobicContact CD1-CZ3 4.08Å; L75-T97 HydrophobicContact CB-CG2 4.44Å; L75-T97 WeakPolarHBondContact CB-O 3.41Å; L75-T97 WeakPolarHBondContact CD1-O 3.14Å; L75-T99 HydrophobicContact CD1-CG2 3.63Å
76	R	86.8	Confident	83	Confident	147 Å²	147	88.5 Å²	88.5	56%	0.555	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-62.2	-26.4	176.8	-65.2	-179.5	-177.3	-179.3	3	113.4	S74 F78 K82 T97	S74-R76 PolarHBondContact O-N 3.24Å; S74-R76 VanDerWaalsContact O-N 3.1Å; S74-R76 WeakPolarHBondContact OG-CB 3.19Å; S74-R76 PolarHBondContact OG-N 2.8Å; R76-F78 VanDerWaalsContact C-N 3.33Å; R76-K82 PolarHBondContact O-NZ 3.3Å; R76-T97 HydrophobicContact CG-CG2 3.98Å; R76-T97 VanDerWaalsContact CG-OG1 3.28Å; R76-T97 WeakPolarHBondContact CG-OG1 3.39Å
77	E	87.5	Confident	83.6	Confident	140 Å²	140	82.6 Å²	82.6	65%	0.654	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-78.4	-19.6	-178.8	-59.4	-173.4	155.9	0	0	112.3	S74 L75 T79	S74-E77 PolarHBondContact O-N 3.25Å; L75-E77 PolarHBondContact O-N 3.1Å; E77-T79 VanDerWaalsContact C-N 3.28Å; E77-T79 PolarHBondContact O-N 3.24Å
78	F	88.6	Confident	84.2	Confident	48 Å²	48	83.9 Å²	83.9	21%	0.211	40%	0.402	C	S	.	.			trans	-82.2	71.7	-177.9	-68.2	-99	0	0	0	111.5	P61 V63 F73 L75 R76 V80 W81 K82	P61-F78 HydrophobicContact CB-CD1 3.45Å; P61-F78 VanDerWaalsContact CB-CD1 3.45Å; P61-F78 HydrophobicContact CB-CE1 3.79Å; P61-F78 HydrophobicContact CB-CG 4.11Å; P61-F78 HydrophobicContact CG-CB 4.3Å; P61-F78 HydrophobicContact CG-CD1 3.46Å; P61-F78 VanDerWaalsContact CG-CD1 3.46Å; P61-F78 HydrophobicContact CG-CD2 4.14Å; P61-F78 HydrophobicContact CG-CE1 3.71Å; P61-F78 HydrophobicContact CG-CE2 4.36Å; P61-F78 HydrophobicContact CG-CG 3.69Å; P61-F78 HydrophobicContact CG-CZ 4.17Å; V63-F78 HydrophobicContact CB-CZ 4.31Å; V63-F78 HydrophobicContact CG1-CE1 4.5Å; V63-F78 HydrophobicContact CG1-CZ 3.88Å; V63-F78 HydrophobicContact CG2-CE1 3.78Å; V63-F78 HydrophobicContact CG2-CE2 4.45Å; V63-F78 HydrophobicContact CG2-CZ 3.5Å; V63-F78 VanDerWaalsContact CG2-CZ 3.5Å; F73-F78 HydrophobicContact CD2-CE2 4.48Å; F73-F78 AromaticContact CE2-CE2 3.57Å; F73-F78 HydrophobicContact CE2-CE2 3.57Å; F73-F78 AromaticContact CE2-CZ 3.72Å; F73-F78 HydrophobicContact CE2-CZ 3.72Å; F73-F78 AromaticContact CZ-CE2 3.92Å; F73-F78 HydrophobicContact CZ-CE2 3.92Å; F73-F78 HydrophobicContact CZ-CZ 4.22Å; L75-F78 HydrophobicContact CD2-CD2 4.37Å; L75-F78 PolarHBondContact O-N 2.96Å; R76-F78 VanDerWaalsContact C-N 3.33Å; F78-V80 VanDerWaalsContact C-N 3.25Å; F78-V80 PolarHBondContact O-N 3.06Å; F78-V80 VanDerWaalsContact O-N 3.17Å; F78-W81 HydrophobicContact CB-CB 3.92Å; F78-W81 PolarHBondContact O-N 2.93Å; F78-W81 VanDerWaalsContact O-N 3.13Å; F78-K82 WeakPolarHBondContact O-CG 3.46Å; F78-K82 PolarHBondContact O-N 3.42Å
79	T	89.8	Confident	85	Confident	68 Å²	68	80.6 Å²	80.6	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-57.2	-32.2	-173.4	57.8	0	0	0	0	114.6	E77 R83	E77-T79 VanDerWaalsContact C-N 3.28Å; E77-T79 PolarHBondContact O-N 3.24Å; T79-R83 VanDerWaalsContact O-CD 3.27Å; T79-R83 WeakPolarHBondContact O-CD 3.49Å; T79-R83 WeakPolarHBondContact O-CG 3.27Å
80	V	91.6	Very high	85.9	Confident	128 Å²	128	79.4 Å²	79.4	78%	0.776	39%	0.386	S	S	*	.	H	α-helix	trans	-75.7	-47.3	176.4	179.1	0	0	0	0	110.7	F78 R83	F78-V80 VanDerWaalsContact C-N 3.25Å; F78-V80 PolarHBondContact O-N 3.06Å; F78-V80 VanDerWaalsContact O-N 3.17Å; V80-R83 PolarHBondContact O-N 3.28Å
81	W	90.4	Very high	86.5	Confident	29 Å²	29	77 Å²	77	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-40.3	-178.7	177.5	89.7	0	0	0	112.2	P39 I58 T59 P61 L75 F78 R83 R95	P39-W81 HydrophobicContact CB-CH2 3.99Å; P39-W81 HydrophobicContact CB-CZ2 4.13Å; P39-W81 HydrophobicContact CG-CZ2 4.28Å; I58-W81 HydrophobicContact CG2-CZ2 3.86Å; T59-W81 PolarHBondContact O-NE1 3.15Å; P61-W81 HydrophobicContact CB-CB 4.06Å; P61-W81 HydrophobicContact CB-CG 3.91Å; P61-W81 HydrophobicContact CG-CD2 4.3Å; P61-W81 HydrophobicContact CG-CG 4.14Å; L75-W81 HydrophobicContact CB-CZ3 4.06Å; L75-W81 HydrophobicContact CD1-CH2 3.9Å; L75-W81 HydrophobicContact CD1-CZ3 4.08Å; F78-W81 HydrophobicContact CB-CB 3.92Å; F78-W81 PolarHBondContact O-N 2.93Å; F78-W81 VanDerWaalsContact O-N 3.13Å; W81-R83 PolarHBondContact O-N 2.84Å; W81-R95 HydrophobicContact CH2-CB 4.38Å; W81-R95 HydrophobicContact CZ3-CB 4.24Å; W81-R95 WeakPolarHBondContact O-CD 3.47Å; W81-R95 PolarHBondContact O-NH1 3.23Å
82	K	90.1	Very high	87.8	Confident	31 Å²	31	74.3 Å²	74.3	14%	0.135	37%	0.366	C	S	.	.	H	α-helix	trans	-73.6	-25.8	-177.7	75.4	-175.5	-173.5	174.2	0	113.3	R76 F78 V84 E94 R95 T97	R76-K82 PolarHBondContact O-NZ 3.3Å; F78-K82 WeakPolarHBondContact O-CG 3.46Å; F78-K82 PolarHBondContact O-N 3.42Å; K82-V84 PolarHBondContact O-N 3.17Å; K82-E94 IonicContact NZ-OE2 3.64Å; K82-E94 CarbonylContact O-C 3.56Å; K82-E94 WeakPolarHBondContact O-CA 3.46Å; K82-R95 PolarHBondContact O-N 3.39Å; K82-T97 HydrophobicContact CB-CG2 4.39Å; K82-T97 HydrophobicContact CD-CG2 4.48Å
83	R	92.4	Very high	88.8	Confident	166 Å²	166	68 Å²	68	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.6	-178	-77.1	174.7	-176.3	168.6	3.8	110.9	T79 V80 W81	T79-R83 VanDerWaalsContact O-CD 3.27Å; T79-R83 WeakPolarHBondContact O-CD 3.49Å; T79-R83 WeakPolarHBondContact O-CG 3.27Å; V80-R83 PolarHBondContact O-N 3.28Å; W81-R83 PolarHBondContact O-N 2.84Å
84	V	92.2	Very high	89.3	Confident	31 Å²	31	70.1 Å²	70.1	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	177.7	179.7	-69.8	0	0	0	0	110.9	V43 K82 A93 R95	V43-V84 HydrophobicContact CB-CG2 4.29Å; V43-V84 HydrophobicContact CG1-CG2 3.49Å; V43-V84 VanDerWaalsContact CG1-CG2 3.49Å; V43-V84 HydrophobicContact CG2-CG2 3.79Å; K82-V84 PolarHBondContact O-N 3.17Å; V84-A93 HydrophobicContact CG2-CB 4.34Å; V84-A93 PolarHBondContact N-O 3.05Å; V84-A93 PolarHBondContact O-N 2.86Å; V84-R95 HydrophobicContact CB-CG 4.44Å; V84-R95 HydrophobicContact CG1-CG 3.64Å; V84-R95 VanDerWaalsContact CG1-CZ 3.46Å; V84-R95 VanDerWaalsContact CG1-NE 3.34Å; V84-R95 HydrophobicContact CG2-CG 3.9Å
85	T	91.3	Very high	89.5	Confident	95 Å²	95	71 Å²	71	58%	0.583	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.4	169.4	53.1	0	0	0	0	109.1	G91	T85-G91 CarbonylContact C-O 3.58Å; T85-G91 WeakPolarHBondContact CA-O 3.48Å
86	C	89.3	Confident	89.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.347	C	S	.	.			trans	-65.2	126.2	175.4	177.9	0	0	0	0	108.9	C8 H45 T88 C89 F90 G91 A93	C8-C86 VanDerWaalsContact SG-SG 3.67Å; H45-C86 HydrophobicContact CB-CB 4.08Å; C86-T88 PolarHBondContact O-N 3.33Å; C86-C89 VanDerWaalsContact CB-SG 3.52Å; C86-C89 VanDerWaalsContact SG-SG 3.67Å; C86-F90 WeakPolarHBondContact O-CA 3.35Å; C86-F90 PolarHBondContact O-N 2.95Å; C86-G91 PolarHBondContact N-O 2.71Å; C86-A93 HydrophobicContact CB-CB 4.05Å
87	P	86.6	Confident	89.5	Confident	35 Å²	35	66.3 Å²	66.3	23%	0.227	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.7	-178.1	28.8	-36.3	0	0	0	113	V49 P52	V49-P87 HydrophobicContact CG1-CG 3.73Å; P52-P87 HydrophobicContact CG-CB 3.63Å; P52-P87 HydrophobicContact CG-CG 4.22Å
88	T	85.3	Confident	89.4	Confident	61 Å²	61	63.7 Å²	63.7	37%	0.374	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-43.5	-178.8	-47.2	0	0	0	0	113.1	P9 V49 C86	P9-T88 HydrophobicContact CG-CG2 3.65Å; V49-T88 WeakPolarHBondContact CG1-OG1 3.08Å; C86-T88 PolarHBondContact O-N 3.33Å
89	C	87.2	Confident	89.1	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.027	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-5.8	-176.1	73	0	0	0	0	114.7	P6 C8 H45 C86 G91	P6-C89 WeakPolarHBondContact O-CB 3.21Å; C8-C89 HydrophobicContact CB-CB 3.61Å; H45-C89 PolarHBondContact CD2-SG 3.08Å; C86-C89 VanDerWaalsContact CB-SG 3.52Å; C86-C89 VanDerWaalsContact SG-SG 3.67Å; C89-G91 PolarHBondContact O-N 3.32Å; C89-G91 PolarHBondContact SG-N 3.16Å
90	F	89.7	Confident	88.8	Confident	157 Å²	157	61.7 Å²	61.7	69%	0.689	31%	0.307	S	S	*	.			trans	61.2	10.5	-176	-50	-78.1	0	0	0	114.7	C86	C86-F90 WeakPolarHBondContact O-CA 3.35Å; C86-F90 PolarHBondContact O-N 2.95Å
91	G	89.5	Confident	88.7	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	30%	0.295	C	S	.	.			trans	-73.8	167.6	172.7	0	0	0	0	0	113.2	T85 C86 C89 A93	T85-G91 CarbonylContact C-O 3.58Å; T85-G91 WeakPolarHBondContact CA-O 3.48Å; C86-G91 PolarHBondContact N-O 2.71Å; C89-G91 PolarHBondContact O-N 3.32Å; C89-G91 PolarHBondContact SG-N 3.16Å; G91-A93 PolarHBondContact O-N 3.11Å
92	K	91.9	Very high	88.5	Confident	192 Å²	192	63 Å²	63	84%	0.835	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.6	176.2	-67.2	-178.1	-179.6	178.1	0	111	H45	H45-K92 PolarHBondContact CE1-O 3.11Å; H45-K92 PolarHBondContact ND1-O 3.49Å
93	A	91.7	Very high	88.5	Confident	7 Å²	7	63.9 Å²	63.9	6%	0.058	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	168.6	-178.2	0	0	0	0	0	111.6	V43 F44 H45 V84 C86 G91	V43-A93 HydrophobicContact CG1-CB 3.2Å; F44-A93 CarbonylContact O-C 3.56Å; F44-A93 VanDerWaalsContact O-CA 3.3Å; F44-A93 WeakPolarHBondContact O-CA 3.43Å; F44-A93 WeakPolarHBondContact O-CB 3.27Å; H45-A93 HydrophobicContact CB-CB 3.89Å; V84-A93 HydrophobicContact CG2-CB 4.34Å; V84-A93 PolarHBondContact N-O 3.05Å; V84-A93 PolarHBondContact O-N 2.86Å; C86-A93 HydrophobicContact CB-CB 4.05Å; G91-A93 PolarHBondContact O-N 3.11Å
94	E	91.2	Very high	88.4	Confident	82 Å²	82	57.7 Å²	57.7	38%	0.383	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.9	174.5	-60.5	-161.2	162.5	0	0	111.2	V43 F44 K82	V43-E94 CarbonylContact C-O 3.59Å; V43-E94 WeakPolarHBondContact CA-O 3.31Å; F44-E94 PolarHBondContact N-O 2.85Å; F44-E94 PolarHBondContact O-N 3.04Å; K82-E94 IonicContact NZ-OE2 3.64Å; K82-E94 CarbonylContact O-C 3.56Å; K82-E94 WeakPolarHBondContact O-CA 3.46Å
95	R	89.4	Confident	88.3	Confident	57 Å²	57	57.2 Å²	57.2	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	151.1	169.9	-67.8	-177.1	171	132.1	-0.9	110	W81 K82 V84 T97	W81-R95 HydrophobicContact CH2-CB 4.38Å; W81-R95 HydrophobicContact CZ3-CB 4.24Å; W81-R95 WeakPolarHBondContact O-CD 3.47Å; W81-R95 PolarHBondContact O-NH1 3.23Å; K82-R95 PolarHBondContact O-N 3.39Å; V84-R95 HydrophobicContact CB-CG 4.44Å; V84-R95 HydrophobicContact CG1-CG 3.64Å; V84-R95 VanDerWaalsContact CG1-CZ 3.46Å; V84-R95 VanDerWaalsContact CG1-NE 3.34Å; V84-R95 HydrophobicContact CG2-CG 3.9Å; R95-T97 PolarHBondContact O-N 3.16Å
96	E	86.9	Confident	88.4	Confident	36 Å²	36	54.1 Å²	54.1	17%	0.168	28%	0.276	C	S	.	.			trans	-57.5	135	161	-174.6	50.3	-88	0	0	109.4	V40 A42 F44 D98	V40-E96 HydrophobicContact CB-CB 3.89Å; V40-E96 HydrophobicContact CB-CG 3.47Å; V40-E96 VanDerWaalsContact CB-CG 3.47Å; V40-E96 HydrophobicContact CG1-CB 4.12Å; V40-E96 HydrophobicContact CG1-CG 3.82Å; V40-E96 HydrophobicContact CG2-CG 4.12Å; A42-E96 HydrophobicContact CB-CB 4.32Å; A42-E96 PolarHBondContact O-N 2.89Å; F44-E96 HydrophobicContact CE2-CB 3.78Å; F44-E96 HydrophobicContact CE2-CG 4.19Å; F44-E96 WeakPolarHBondContact CE2-OE2 3.33Å; F44-E96 WeakPolarHBondContact CZ-OE2 3.34Å; E96-D98 HydrophobicContact CG-CB 4.22Å; E96-D98 PolarHBondContact OE1-N 3.15Å
97	T	86.4	Confident	88.6	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.117	28%	0.277	C	S	.	.			trans	-102.6	-11.1	-177.5	58.3	0	0	0	0	112.1	L75 R76 K82 R95	L75-T97 HydrophobicContact CB-CG2 4.44Å; L75-T97 WeakPolarHBondContact CB-O 3.41Å; L75-T97 WeakPolarHBondContact CD1-O 3.14Å; R76-T97 HydrophobicContact CG-CG2 3.98Å; R76-T97 VanDerWaalsContact CG-OG1 3.28Å; R76-T97 WeakPolarHBondContact CG-OG1 3.39Å; K82-T97 HydrophobicContact CB-CG2 4.39Å; K82-T97 HydrophobicContact CD-CG2 4.48Å; R95-T97 PolarHBondContact O-N 3.16Å
98	D	85.2	Confident	88.9	Confident	85 Å²	85	53.3 Å²	53.3	46%	0.455	27%	0.269	S	S	.	.			trans	-80.1	148.2	170.5	-67.1	-14	0	0	0	110.8	V40 E96	V40-D98 PolarHBondContact N-O 3.31Å; V40-D98 VanDerWaalsContact N-O 3.16Å; E96-D98 HydrophobicContact CG-CB 4.22Å; E96-D98 PolarHBondContact OE1-N 3.15Å
99	T	82.5	Confident	89.4	Confident	42 Å²	42	53.9 Å²	53.9	26%	0.258	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-111	154	177.6	60.8	0	0	0	0	110	R37 I38 L60 L75	R37-T99 HydrophobicContact CB-CG2 4.03Å; R37-T99 HydrophobicContact CG-CG2 4.49Å; I38-T99 WeakPolarHBondContact O-CA 3.41Å; L60-T99 HydrophobicContact CD2-CG2 4.31Å; L75-T99 HydrophobicContact CD1-CG2 3.63Å
100	L	84.6	Confident	89.7	Confident	32 Å²	32	54.3 Å²	54.3	17%	0.168	27%	0.266	C	S	.	.			trans	-63.8	145.3	170.4	-60.8	179.1	0	0	0	110.8	V24 I38 V40 F104	V24-L100 HydrophobicContact CG1-CD1 3.81Å; I38-L100 HydrophobicContact CB-CD1 4.1Å; I38-L100 HydrophobicContact CB-CG 4.48Å; I38-L100 HydrophobicContact CG2-CD1 4.3Å; I38-L100 PolarHBondContact O-N 2.95Å; V40-L100 HydrophobicContact CG2-CD2 3.93Å; V40-L100 HydrophobicContact CG2-CG 4.43Å; L100-F104 HydrophobicContact CB-CB 3.99Å; L100-F104 HydrophobicContact CB-CD1 4.3Å; L100-F104 HydrophobicContact CB-CG 4.11Å; L100-F104 HydrophobicContact CD1-CD1 3.55Å; L100-F104 HydrophobicContact CD1-CD2 4.05Å; L100-F104 HydrophobicContact CD1-CE1 3.72Å; L100-F104 HydrophobicContact CD1-CE2 4.2Å; L100-F104 HydrophobicContact CD1-CG 3.76Å; L100-F104 HydrophobicContact CD1-CZ 4.08Å; L100-F104 HydrophobicContact CG-CG 4.4Å
101	D	87.9	Confident	89.9	Confident	96 Å²	96	47.2 Å²	47.2	51%	0.513	24%	0.235	S	C	.	.			trans	-74.9	158.4	178.5	-179.5	-98.9	0	0	0	111.7	F103 F104	D101-F103 PolarHBondContact O-N 2.92Å; D101-F103 VanDerWaalsContact O-N 3.11Å; D101-F103 WeakPolarHBondContact OD1-CB 3.37Å; D101-F103 WeakPolarHBondContact OD1-CD2 3.47Å; D101-F103 PolarHBondContact OD1-N 2.86Å; D101-F104 WeakPolarHBondContact O-CB 3.16Å; D101-F104 PolarHBondContact O-N 3.35Å
102	T	86.6	Confident	90.1	Very high	90 Å²	90	48.4 Å²	48.4	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-56.9	-25.9	177.2	-168.2	0	0	0	0	114	F104 D105 S106	T102-F104 VanDerWaalsContact C-N 3.26Å; T102-F104 PolarHBondContact O-N 2.82Å; T102-D105 PolarHBondContact O-N 3.45Å; T102-S106 PolarHBondContact O-N 2.67Å; T102-S106 VanDerWaalsContact O-N 3.12Å; T102-S106 PolarHBondContact O-OG 2.91Å
103	F	90.3	Very high	90.2	Very high	49 Å²	49	46 Å²	46	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-21.8	173.5	-73.9	-63.4	0	0	0	113.5	D101 S106 S107 L146 H147 Y150	D101-F103 PolarHBondContact O-N 2.92Å; D101-F103 VanDerWaalsContact O-N 3.11Å; D101-F103 WeakPolarHBondContact OD1-CB 3.37Å; D101-F103 WeakPolarHBondContact OD1-CD2 3.47Å; D101-F103 PolarHBondContact OD1-N 2.86Å; F103-S106 WeakPolarHBondContact CA-OG 3.32Å; F103-S107 VanDerWaalsContact O-CB 3.29Å; F103-S107 WeakPolarHBondContact O-CB 3.49Å; F103-S107 PolarHBondContact O-N 2.88Å; F103-S107 VanDerWaalsContact O-N 3.14Å; F103-L146 HydrophobicContact CD1-CB 4.33Å; F103-L146 HydrophobicContact CE1-CB 3.65Å; F103-L146 HydrophobicContact CE2-CB 4.37Å; F103-L146 HydrophobicContact CE2-CD1 4.29Å; F103-L146 HydrophobicContact CE2-CD2 4.24Å; F103-L146 HydrophobicContact CZ-CB 3.68Å; F103-L146 HydrophobicContact CZ-CD1 3.76Å; F103-L146 HydrophobicContact CZ-CD2 4.31Å; F103-L146 HydrophobicContact CZ-CG 4.13Å; F103-H147 HydrophobicContact CD1-CB 4.18Å; F103-H147 HydrophobicContact CE1-CB 4.01Å; F103-Y150 HydrophobicContact CB-CD2 3.59Å; F103-Y150 HydrophobicContact CB-CE2 3.78Å; F103-Y150 HydrophobicContact CB-CG 4.44Å; F103-Y150 AromaticContact CD1-CD2 3.91Å; F103-Y150 HydrophobicContact CD1-CD2 3.91Å; F103-Y150 HydrophobicContact CD1-CE2 4.24Å; F103-Y150 HydrophobicContact CD2-CE2 4.17Å; F103-Y150 AromaticContact CG-CD2 3.78Å; F103-Y150 HydrophobicContact CG-CD2 3.78Å; F103-Y150 AromaticContact CG-CE2 3.79Å; F103-Y150 HydrophobicContact CG-CE2 3.79Å
104	F	90.3	Very high	90.4	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-53.8	170.7	-174.9	-91.9	0	0	0	110.2	V24 F26 I38 L100 D101 T102 S106 S107 W108 M154	V24-F104 HydrophobicContact CB-CE2 4.36Å; V24-F104 HydrophobicContact CB-CZ 4.06Å; V24-F104 HydrophobicContact CG1-CE1 3.75Å; V24-F104 HydrophobicContact CG1-CE2 3.79Å; V24-F104 HydrophobicContact CG1-CZ 3.16Å; V24-F104 HydrophobicContact CG2-CE2 4.31Å; V24-F104 HydrophobicContact CG2-CZ 4.48Å; F26-F104 HydrophobicContact CD1-CE1 4.46Å; F26-F104 HydrophobicContact CD1-CZ 4.4Å; F26-F104 AromaticContact CE1-CE1 3.93Å; F26-F104 HydrophobicContact CE1-CE1 3.93Å; F26-F104 AromaticContact CE1-CZ 3.55Å; F26-F104 HydrophobicContact CE1-CZ 3.55Å; F26-F104 AromaticContact CZ-CZ 3.88Å; F26-F104 HydrophobicContact CZ-CZ 3.88Å; I38-F104 HydrophobicContact CD1-CD1 4.49Å; I38-F104 HydrophobicContact CD1-CE1 4.43Å; L100-F104 HydrophobicContact CB-CB 3.99Å; L100-F104 HydrophobicContact CB-CD1 4.3Å; L100-F104 HydrophobicContact CB-CG 4.11Å; L100-F104 HydrophobicContact CD1-CD1 3.55Å; L100-F104 HydrophobicContact CD1-CD2 4.05Å; L100-F104 HydrophobicContact CD1-CE1 3.72Å; L100-F104 HydrophobicContact CD1-CE2 4.2Å; L100-F104 HydrophobicContact CD1-CG 3.76Å; L100-F104 HydrophobicContact CD1-CZ 4.08Å; L100-F104 HydrophobicContact CG-CG 4.4Å; D101-F104 WeakPolarHBondContact O-CB 3.16Å; D101-F104 PolarHBondContact O-N 3.35Å; T102-F104 VanDerWaalsContact C-N 3.26Å; T102-F104 PolarHBondContact O-N 2.82Å; F104-S106 PolarHBondContact O-N 2.8Å; F104-S107 WeakPolarHBondContact O-CB 3.42Å; F104-S107 PolarHBondContact O-N 3.3Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-S107 PolarHBondContact O-OG 2.66Å; F104-W108 AromaticContact CE1-NE1 3.9Å; F104-W108 VanDerWaalsContact O-CD1 3.22Å; F104-M154 HydrophobicContact CD2-CE 4.33Å; F104-M154 HydrophobicContact CE2-CE 3.76Å; F104-M154 HydrophobicContact CZ-CE 4.21Å
105	D	89.6	Confident	90.5	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.112	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-47.8	-179	-55.4	-27.5	0	0	0	111.9	L36 T102 S107 W108 Y109	L36-D105 VanDerWaalsContact CB-OD2 3.32Å; L36-D105 WeakPolarHBondContact CB-OD2 3.16Å; T102-D105 PolarHBondContact O-N 3.45Å; D105-S107 PolarHBondContact O-N 2.78Å; D105-W108 PolarHBondContact O-N 3.4Å; D105-Y109 PolarHBondContact O-N 3.47Å
106	S	93.4	Very high	90.6	Very high	30 Å²	30	46.5 Å²	46.5	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-72	-7.6	-178.9	61.2	0	0	0	0	113.5	T102 F103 F104 W108 Y109 H147	T102-S106 PolarHBondContact O-N 2.67Å; T102-S106 VanDerWaalsContact O-N 3.12Å; T102-S106 PolarHBondContact O-OG 2.91Å; F103-S106 WeakPolarHBondContact CA-OG 3.32Å; F104-S106 PolarHBondContact O-N 2.8Å; S106-W108 VanDerWaalsContact C-N 3.31Å; S106-W108 PolarHBondContact O-N 3.46Å; S106-Y109 WeakPolarHBondContact O-CD1 3.31Å; S106-H147 PolarHBondContact O-CE1 2.8Å; S106-H147 PolarHBondContact O-ND1 2.87Å
107	S	94.2	Very high	90.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.7	177.1	71.6	0	0	0	0	114.2	F103 F104 D105 Y110 A151 M154	F103-S107 VanDerWaalsContact O-CB 3.29Å; F103-S107 WeakPolarHBondContact O-CB 3.49Å; F103-S107 PolarHBondContact O-N 2.88Å; F103-S107 VanDerWaalsContact O-N 3.14Å; F104-S107 WeakPolarHBondContact O-CB 3.42Å; F104-S107 PolarHBondContact O-N 3.3Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-S107 PolarHBondContact O-OG 2.66Å; D105-S107 PolarHBondContact O-N 2.78Å; S107-Y110 WeakPolarHBondContact O-CE1 3.25Å; S107-Y110 PolarHBondContact O-OH 2.85Å; S107-A151 WeakPolarHBondContact O-CA 3.31Å; S107-M154 WeakPolarHBondContact OG-CE 3.01Å
108	W	93.8	Very high	90.8	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.061	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	1.5	-176.1	64.3	-78.8	0	0	0	115.1	F26 F104 D105 S106 Y110 L111 R112 P122 M154 L158	F26-W108 HydrophobicContact CB-CH2 4.34Å; F26-W108 AromaticContact CD1-CD2 3.9Å; F26-W108 HydrophobicContact CD1-CD2 3.9Å; F26-W108 AromaticContact CD1-CE2 3.5Å; F26-W108 HydrophobicContact CD1-CE3 4.27Å; F26-W108 HydrophobicContact CD1-CG 4.49Å; F26-W108 AromaticContact CD1-CH2 3.96Å; F26-W108 HydrophobicContact CD1-CH2 3.96Å; F26-W108 AromaticContact CD1-CZ2 3.57Å; F26-W108 HydrophobicContact CD1-CZ2 3.57Å; F26-W108 HydrophobicContact CD1-CZ3 4.28Å; F26-W108 AromaticContact CD1-NE1 3.86Å; F26-W108 AromaticContact CE1-CD1 3.84Å; F26-W108 AromaticContact CE1-CD2 3.98Å; F26-W108 HydrophobicContact CE1-CD2 3.98Å; F26-W108 AromaticContact CE1-CE2 3.73Å; F26-W108 HydrophobicContact CE1-CG 4.09Å; F26-W108 HydrophobicContact CE1-CZ2 4.26Å; F26-W108 AromaticContact CE1-NE1 3.63Å; F104-W108 AromaticContact CE1-NE1 3.9Å; F104-W108 VanDerWaalsContact O-CD1 3.22Å; D105-W108 PolarHBondContact O-N 3.4Å; S106-W108 VanDerWaalsContact C-N 3.31Å; S106-W108 PolarHBondContact O-N 3.46Å; W108-Y110 PolarHBondContact O-N 3.13Å; W108-L111 WeakPolarHBondContact O-CB 3.5Å; W108-L111 PolarHBondContact O-N 3.46Å; W108-R112 HydrophobicContact CE3-CB 4.14Å; W108-R112 HydrophobicContact CH2-CB 4.43Å; W108-R112 HydrophobicContact CH2-CG 4.42Å; W108-R112 HydrophobicContact CZ3-CB 3.75Å; W108-R112 HydrophobicContact CZ3-CG 4.1Å; W108-P122 HydrophobicContact CE3-CB 4.29Å; W108-P122 HydrophobicContact CZ3-CB 3.84Å; W108-M154 HydrophobicContact CB-CG 3.85Å; W108-L158 HydrophobicContact CB-CD1 4.31Å
109	Y	94.6	Very high	90.6	Very high	73 Å²	73	48.6 Å²	48.6	29%	0.286	26%	0.261	S	S	.	.	H	α-helix	trans	-52.5	-31.8	-177.5	83.8	-69.7	0	0	0	114.7	D105 S106 L111 R112 F113 Y137 H147	D105-Y109 PolarHBondContact O-N 3.47Å; S106-Y109 WeakPolarHBondContact O-CD1 3.31Å; Y109-L111 VanDerWaalsContact C-N 3.26Å; Y109-L111 PolarHBondContact O-N 2.89Å; Y109-R112 PolarHBondContact O-N 3.48Å; Y109-F113 AromaticContact CD2-CD2 3.96Å; Y109-F113 HydrophobicContact CD2-CD2 3.96Å; Y109-F113 AromaticContact CD2-CE2 3.34Å; Y109-F113 HydrophobicContact CD2-CE2 3.34Å; Y109-F113 HydrophobicContact CD2-CZ 4.04Å; Y109-F113 HydrophobicContact CE2-CD2 4.21Å; Y109-F113 AromaticContact CE2-CE2 3.46Å; Y109-F113 HydrophobicContact CE2-CE2 3.46Å; Y109-F113 VanDerWaalsContact CE2-CE2 3.46Å; Y109-F113 HydrophobicContact CE2-CZ 4.32Å; Y109-F113 PolarHBondContact O-N 3.16Å; Y109-F113 VanDerWaalsContact O-N 3.11Å; Y109-Y137 VanDerWaalsContact OH-CE2 3.26Å; Y109-Y137 WeakPolarHBondContact OH-CE2 3.29Å; Y109-Y137 PolarHBondContact OH-OH 3.31Å; Y109-H147 AromaticContact CE1-CE1 3.81Å
110	Y	94.8	Very high	90.5	Very high	13 Å²	13	50.2 Å²	50.2	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-32.3	177.4	51.2	-96	0	0	0	112.8	S107 W108 M132 A151 P169 F170	S107-Y110 WeakPolarHBondContact O-CE1 3.25Å; S107-Y110 PolarHBondContact O-OH 2.85Å; W108-Y110 PolarHBondContact O-N 3.13Å; Y110-M132 HydrophobicContact CD2-CE 3.44Å; Y110-M132 VanDerWaalsContact CD2-CE 3.44Å; Y110-M132 HydrophobicContact CD2-SD 4.03Å; Y110-M132 HydrophobicContact CE2-CE 3.51Å; Y110-A151 HydrophobicContact CE1-CB 3.95Å; Y110-A151 PolarHBondContact OH-O 3.35Å; Y110-P169 HydrophobicContact CD2-CB 4.28Å; Y110-P169 HydrophobicContact CE1-CB 4.05Å; Y110-P169 HydrophobicContact CE2-CB 3.59Å; Y110-P169 VanDerWaalsContact CZ-CB 3.48Å; Y110-F170 AromaticContact CD1-CE1 3.8Å; Y110-F170 HydrophobicContact CD1-CE1 3.8Å; Y110-F170 AromaticContact CD1-CZ 3.83Å; Y110-F170 HydrophobicContact CD1-CZ 3.83Å; Y110-F170 HydrophobicContact CE1-CE1 4.26Å; Y110-F170 AromaticContact CE1-CZ 3.99Å; Y110-F170 HydrophobicContact CE1-CZ 3.99Å; Y110-F170 HydrophobicContact CG-CE1 4.06Å
111	L	93.1	Very high	90.4	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-74	-38.8	172.6	-79.3	165.3	0	0	0	111.3	W108 Y109 F113 L114 C123 A128 M132 L158	W108-L111 WeakPolarHBondContact O-CB 3.5Å; W108-L111 PolarHBondContact O-N 3.46Å; Y109-L111 VanDerWaalsContact C-N 3.26Å; Y109-L111 PolarHBondContact O-N 2.89Å; L111-F113 PolarHBondContact O-N 3.29Å; L111-L114 HydrophobicContact CD2-CD1 4.31Å; L111-L114 WeakPolarHBondContact O-CB 3.38Å; L111-L114 PolarHBondContact O-N 3.23Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L111-C123 PolarHBondContact O-SG 3.46Å; L111-C123 VanDerWaalsContact O-SG 3.36Å; L111-A128 HydrophobicContact CD2-CB 3.88Å; L111-M132 HydrophobicContact CD2-CE 4.31Å; L111-M132 HydrophobicContact CD2-CG 3.56Å; L111-M132 HydrophobicContact CD2-SD 4.01Å; L111-M132 HydrophobicContact CG-CE 4.46Å; L111-M132 HydrophobicContact CG-SD 4.49Å; L111-L158 HydrophobicContact CD1-CD1 3.29Å
112	R	93.2	Very high	90.1	Very high	30 Å²	30	50.8 Å²	50.8	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-29.6	-178.2	-170.9	55.1	178.3	-171.1	1.8	112.3	W108 Y109 L114 D115 S116 N118 F121 P122	W108-R112 HydrophobicContact CE3-CB 4.14Å; W108-R112 HydrophobicContact CH2-CB 4.43Å; W108-R112 HydrophobicContact CH2-CG 4.42Å; W108-R112 HydrophobicContact CZ3-CB 3.75Å; W108-R112 HydrophobicContact CZ3-CG 4.1Å; Y109-R112 PolarHBondContact O-N 3.48Å; R112-L114 PolarHBondContact O-N 2.99Å; R112-D115 PolarHBondContact NH1-O 2.91Å; R112-D115 CarbonylContact O-C 3.5Å; R112-D115 PolarHBondContact O-N 3.47Å; R112-D115 VanDerWaalsContact O-N 3.11Å; R112-S116 VanDerWaalsContact CZ-O 3.25Å; R112-S116 PolarHBondContact NE-O 3.04Å; R112-S116 VanDerWaalsContact NE-O 3.15Å; R112-S116 PolarHBondContact NH2-O 2.85Å; R112-S116 VanDerWaalsContact O-CA 3.23Å; R112-S116 WeakPolarHBondContact O-CA 3.14Å; R112-S116 PolarHBondContact O-N 3.15Å; R112-N118 VanDerWaalsContact CZ-O 3.29Å; R112-N118 PolarHBondContact NH1-O 3.05Å; R112-N118 PolarHBondContact NH2-O 2.87Å; R112-F121 PolarHBondContact NH1-O 3.45Å; R112-P122 WeakPolarHBondContact CD-O 3.45Å; R112-P122 PolarHBondContact NH1-O 2.63Å
113	F	95	Very high	90.2	Very high	143 Å²	143	46.8 Å²	46.8	63%	0.627	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	173.6	-79.3	-49.1	0	0	0	114.3	Y109 L111 D115	Y109-F113 AromaticContact CD2-CD2 3.96Å; Y109-F113 HydrophobicContact CD2-CD2 3.96Å; Y109-F113 AromaticContact CD2-CE2 3.34Å; Y109-F113 HydrophobicContact CD2-CE2 3.34Å; Y109-F113 HydrophobicContact CD2-CZ 4.04Å; Y109-F113 HydrophobicContact CE2-CD2 4.21Å; Y109-F113 AromaticContact CE2-CE2 3.46Å; Y109-F113 HydrophobicContact CE2-CE2 3.46Å; Y109-F113 VanDerWaalsContact CE2-CE2 3.46Å; Y109-F113 HydrophobicContact CE2-CZ 4.32Å; Y109-F113 PolarHBondContact O-N 3.16Å; Y109-F113 VanDerWaalsContact O-N 3.11Å; L111-F113 PolarHBondContact O-N 3.29Å; F113-D115 VanDerWaalsContact C-N 3.26Å; F113-D115 PolarHBondContact O-N 2.88Å
114	L	94.9	Very high	90.4	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.267	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.9	177.5	-55.5	176.9	0	0	0	111.9	L111 R112 L127 Y131 M132	L111-L114 HydrophobicContact CD2-CD1 4.31Å; L111-L114 WeakPolarHBondContact O-CB 3.38Å; L111-L114 PolarHBondContact O-N 3.23Å; L111-L114 VanDerWaalsContact O-N 3.08Å; R112-L114 PolarHBondContact O-N 2.99Å; L114-L127 HydrophobicContact CB-CB 4.45Å; L114-Y131 HydrophobicContact CD2-CD2 4.05Å; L114-Y131 HydrophobicContact CD2-CG 4.04Å; L114-M132 HydrophobicContact CD1-CG 4.18Å
115	D	93.7	Very high	90.6	Very high	34 Å²	34	48 Å²	48	18%	0.182	26%	0.26	C	S	.	.	S	Bend	trans	-155.6	65.9	-173	-167.6	5.9	0	0	0	111.6	R112 F113 C117 N118 C123 D124 L127	R112-D115 PolarHBondContact NH1-O 2.91Å; R112-D115 CarbonylContact O-C 3.5Å; R112-D115 PolarHBondContact O-N 3.47Å; R112-D115 VanDerWaalsContact O-N 3.11Å; F113-D115 VanDerWaalsContact C-N 3.26Å; F113-D115 PolarHBondContact O-N 2.88Å; D115-C117 PolarHBondContact O-N 3.23Å; D115-N118 HydrophobicContact CB-CB 4.49Å; D115-N118 PolarHBondContact O-N 2.92Å; D115-N118 VanDerWaalsContact OD2-CB 3.28Å; D115-N118 WeakPolarHBondContact OD2-CB 3.34Å; D115-N118 PolarHBondContact OD2-ND2 3.04Å; D115-C123 HydrophobicContact CB-CB 4.45Å; D115-D124 WeakPolarHBondContact OD2-CB 3.32Å; D115-D124 PolarHBondContact OD2-N 3.23Å; D115-L127 HydrophobicContact CB-CD1 4.03Å
116	S	92.5	Very high	90.9	Very high	70 Å²	70	52.6 Å²	52.6	49%	0.49	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-20	-168.5	57.7	0	0	0	0	114.4	R112	R112-S116 VanDerWaalsContact CZ-O 3.25Å; R112-S116 PolarHBondContact NE-O 3.04Å; R112-S116 VanDerWaalsContact NE-O 3.15Å; R112-S116 PolarHBondContact NH2-O 2.85Å; R112-S116 VanDerWaalsContact O-CA 3.23Å; R112-S116 WeakPolarHBondContact O-CA 3.14Å; R112-S116 PolarHBondContact O-N 3.15Å
117	C	89.4	Confident	91	Very high	77 Å²	77	53.8 Å²	53.8	52%	0.52	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	4.2	-174.3	-58.2	0	0	0	0	113.3	C30 D115 V119	C30-C117 VanDerWaalsContact SG-SG 3.66Å; D115-C117 PolarHBondContact O-N 3.23Å; C117-V119 PolarHBondContact O-N 3.44Å
118	N	86.3	Confident	91.1	Very high	29 Å²	29	53.7 Å²	53.7	16%	0.155	29%	0.287	C	S	.	.			trans	-70.2	123.8	179.9	-163.9	-39.4	0	0	0	111.8	R112 D115 S120 F121	R112-N118 VanDerWaalsContact CZ-O 3.29Å; R112-N118 PolarHBondContact NH1-O 3.05Å; R112-N118 PolarHBondContact NH2-O 2.87Å; D115-N118 HydrophobicContact CB-CB 4.49Å; D115-N118 PolarHBondContact O-N 2.92Å; D115-N118 VanDerWaalsContact OD2-CB 3.28Å; D115-N118 WeakPolarHBondContact OD2-CB 3.34Å; D115-N118 PolarHBondContact OD2-ND2 3.04Å; N118-S120 PolarHBondContact OD1-N 3.39Å; N118-F121 WeakPolarHBondContact CB-O 3.39Å; N118-F121 VanDerWaalsContact CG-O 3.29Å; N118-F121 PolarHBondContact OD1-N 3.19Å; N118-F121 PolarHBondContact OD1-O 3.45Å
119	V	82.8	Confident	91.2	Very high	79 Å²	79	55.3 Å²	55.3	48%	0.479	30%	0.298	S	S	.	.	S	Bend	trans	-100.8	-6.9	-177.5	-62.5	0	0	0	0	113.5	R27 C117	R27-V119 WeakPolarHBondContact CG-O 3.35Å; R27-V119 PolarHBondContact NE-O 3.47Å; C117-V119 PolarHBondContact O-N 3.44Å
120	S	80.4	Confident	91.4	Very high	76 Å²	76	58.9 Å²	58.9	53%	0.531	31%	0.314	S	S	.	.	S	Bend	trans	-104.1	-37.6	-176.5	-60.1	0	0	0	0	111.9	N118	N118-S120 PolarHBondContact OD1-N 3.39Å
121	F	81.8	Confident	91.5	Very high	123 Å²	123	64 Å²	64	54%	0.539	33%	0.334	S	S	.	.	S	Bend	trans	-135.4	157.9	-179.3	-72.9	-81.3	0	0	0	111.1	R112 N118 C123 L163	R112-F121 PolarHBondContact NH1-O 3.45Å; N118-F121 WeakPolarHBondContact CB-O 3.39Å; N118-F121 VanDerWaalsContact CG-O 3.29Å; N118-F121 PolarHBondContact OD1-N 3.19Å; N118-F121 PolarHBondContact OD1-O 3.45Å; F121-C123 PolarHBondContact O-N 3.16Å; F121-L163 HydrophobicContact CD1-CD2 4.35Å
122	P	81.6	Confident	91.7	Very high	17 Å²	17	64 Å²	64	11%	0.11	34%	0.335	C	S	.	.	S	Bend	trans	-55.2	-37	173.9	4.9	-15	0	0	0	113.1	F26 W108 R112 L163	F26-P122 HydrophobicContact CB-CB 3.65Å; F26-P122 HydrophobicContact CB-CG 3.72Å; F26-P122 HydrophobicContact CD2-CG 4.17Å; F26-P122 HydrophobicContact CG-CB 4.12Å; F26-P122 HydrophobicContact CG-CG 4.08Å; W108-P122 HydrophobicContact CE3-CB 4.29Å; W108-P122 HydrophobicContact CZ3-CB 3.84Å; R112-P122 WeakPolarHBondContact CD-O 3.45Å; R112-P122 PolarHBondContact NH1-O 2.63Å; P122-L163 HydrophobicContact CG-CD1 3.98Å
123	C	88.8	Confident	91.9	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.041	34%	0.339	C	S	.	.	S	Bend	trans	-160.8	145.9	175.7	-178.9	0	0	0	0	109.3	L111 D115 F121 V125	L111-C123 PolarHBondContact O-SG 3.46Å; L111-C123 VanDerWaalsContact O-SG 3.36Å; D115-C123 HydrophobicContact CB-CB 4.45Å; F121-C123 PolarHBondContact O-N 3.16Å; C123-V125 PolarHBondContact O-N 2.87Å
124	D	93.3	Very high	92	Very high	57 Å²	57	59.3 Å²	59.3	31%	0.305	32%	0.321	S	S	.	.			trans	-57.7	130.4	168.6	177.2	-89.1	0	0	0	111.3	D115 N126 L127 A128	D115-D124 WeakPolarHBondContact OD2-CB 3.32Å; D115-D124 PolarHBondContact OD2-N 3.23Å; D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 2.91Å; D124-N126 VanDerWaalsContact OD1-CA 3.29Å; D124-N126 WeakPolarHBondContact OD1-CA 3.37Å; D124-N126 WeakPolarHBondContact OD1-CB 3.43Å; D124-N126 PolarHBondContact OD1-N 3.14Å; D124-L127 HydrophobicContact CB-CB 4.19Å; D124-L127 HydrophobicContact CB-CD1 3.93Å; D124-L127 HydrophobicContact CB-CG 4Å; D124-L127 PolarHBondContact O-N 2.86Å; D124-L127 PolarHBondContact OD1-N 3.16Å; D124-A128 PolarHBondContact O-N 2.72Å
125	V	94.6	Very high	92.2	Very high	51 Å²	51	62.7 Å²	62.7	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-33.5	-175	175.8	0	0	0	0	112	C123 N129 L163	C123-V125 PolarHBondContact O-N 2.87Å; V125-N129 WeakPolarHBondContact CG1-ND2 3.46Å; V125-N129 VanDerWaalsContact O-CB 3.27Å; V125-N129 WeakPolarHBondContact O-CB 3.24Å; V125-N129 PolarHBondContact O-N 2.75Å; V125-N129 PolarHBondContact O-ND2 3.29Å; V125-N129 VanDerWaalsContact O-ND2 3.14Å; V125-L163 HydrophobicContact CG2-CD2 3.96Å
126	N	96.4	Very high	92.3	Very high	118 Å²	118	64.3 Å²	64.3	63%	0.631	35%	0.35	S	S	*	.	H	α-helix	trans	-72	-39.9	178.5	-54.3	-64.3	0	0	0	110.8	D124 K130	D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 2.91Å; D124-N126 VanDerWaalsContact OD1-CA 3.29Å; D124-N126 WeakPolarHBondContact OD1-CA 3.37Å; D124-N126 WeakPolarHBondContact OD1-CB 3.43Å; D124-N126 PolarHBondContact OD1-N 3.14Å; N126-K130 WeakPolarHBondContact O-CB 3.44Å; N126-K130 PolarHBondContact O-N 2.93Å
127	L	96.6	Very high	92.5	Very high	55 Å²	55	62.8 Å²	62.8	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-48.1	173.4	-65	179.1	0	0	0	111.1	L114 D115 D124 N129 K130 Y131	L114-L127 HydrophobicContact CB-CB 4.45Å; D115-L127 HydrophobicContact CB-CD1 4.03Å; D124-L127 HydrophobicContact CB-CB 4.19Å; D124-L127 HydrophobicContact CB-CD1 3.93Å; D124-L127 HydrophobicContact CB-CG 4Å; D124-L127 PolarHBondContact O-N 2.86Å; D124-L127 PolarHBondContact OD1-N 3.16Å; L127-N129 PolarHBondContact O-N 2.85Å; L127-K130 PolarHBondContact O-N 2.89Å; L127-Y131 HydrophobicContact CB-CD2 4.49Å; L127-Y131 HydrophobicContact CD2-CD2 4.44Å; L127-Y131 HydrophobicContact CD2-CE2 3.88Å; L127-Y131 VanDerWaalsContact O-CD2 3.31Å; L127-Y131 WeakPolarHBondContact O-CD2 3.3Å; L127-Y131 PolarHBondContact O-N 2.82Å
128	A	96	Very high	92.8	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-56	-50.4	176.1	0	0	0	0	0	111.6	L111 D124 K130 Y131 M132 C164	L111-A128 HydrophobicContact CD2-CB 3.88Å; D124-A128 PolarHBondContact O-N 2.72Å; A128-K130 VanDerWaalsContact C-N 3.26Å; A128-K130 PolarHBondContact O-N 3.24Å; A128-Y131 PolarHBondContact O-N 3.27Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CG 3.2Å; A128-M132 PolarHBondContact O-N 2.92Å; A128-C164 HydrophobicContact CB-CB 4.47Å
129	N	96.3	Very high	93	Very high	51 Å²	51	63.3 Å²	63.3	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-25.6	-179.8	-72.8	-25.4	0	0	0	114.1	V125 L127 N165	V125-N129 WeakPolarHBondContact CG1-ND2 3.46Å; V125-N129 VanDerWaalsContact O-CB 3.27Å; V125-N129 WeakPolarHBondContact O-CB 3.24Å; V125-N129 PolarHBondContact O-N 2.75Å; V125-N129 PolarHBondContact O-ND2 3.29Å; V125-N129 VanDerWaalsContact O-ND2 3.14Å; L127-N129 PolarHBondContact O-N 2.85Å; N129-N165 VanDerWaalsContact OD1-CB 3.31Å; N129-N165 WeakPolarHBondContact OD1-CB 3.38Å; N129-N165 PolarHBondContact OD1-N 2.89Å; N129-N165 PolarHBondContact OD1-ND2 3.33Å; N129-N165 PolarHBondContact OD1-OD1 3.17Å
130	K	97.3	Very high	93.2	Very high	147 Å²	147	59.8 Å²	59.8	64%	0.639	31%	0.313	S	S	*	.	H	α-helix	trans	-80.7	-41.2	179.5	-178.2	178.2	179.2	-171.9	0	112.3	N126 L127 A128	N126-K130 WeakPolarHBondContact O-CB 3.44Å; N126-K130 PolarHBondContact O-N 2.93Å; L127-K130 PolarHBondContact O-N 2.89Å; A128-K130 VanDerWaalsContact C-N 3.26Å; A128-K130 PolarHBondContact O-N 3.24Å
131	Y	97.5	Very high	93.5	Very high	121 Å²	121	63.6 Å²	63.6	48%	0.475	32%	0.32	S	S	.	.	H	α-helix	trans	-105.1	-11.9	-170.3	-64.3	-65.5	0	0	0	114.5	L114 L127 A128	L114-Y131 HydrophobicContact CD2-CD2 4.05Å; L114-Y131 HydrophobicContact CD2-CG 4.04Å; L127-Y131 HydrophobicContact CB-CD2 4.49Å; L127-Y131 HydrophobicContact CD2-CD2 4.44Å; L127-Y131 HydrophobicContact CD2-CE2 3.88Å; L127-Y131 VanDerWaalsContact O-CD2 3.31Å; L127-Y131 WeakPolarHBondContact O-CD2 3.3Å; L127-Y131 PolarHBondContact O-N 2.82Å; A128-Y131 PolarHBondContact O-N 3.27Å
132	M	97	Very high	93.6	Very high	9 Å²	9	62.8 Å²	62.8	4%	0.044	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-90.6	150.3	174.2	-66.6	-65.1	-70.3	0	0	112.4	Y110 L111 L114 A128 V134 K166 P169	Y110-M132 HydrophobicContact CD2-CE 3.44Å; Y110-M132 VanDerWaalsContact CD2-CE 3.44Å; Y110-M132 HydrophobicContact CD2-SD 4.03Å; Y110-M132 HydrophobicContact CE2-CE 3.51Å; L111-M132 HydrophobicContact CD2-CE 4.31Å; L111-M132 HydrophobicContact CD2-CG 3.56Å; L111-M132 HydrophobicContact CD2-SD 4.01Å; L111-M132 HydrophobicContact CG-CE 4.46Å; L111-M132 HydrophobicContact CG-SD 4.49Å; L114-M132 HydrophobicContact CD1-CG 4.18Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CG 3.2Å; A128-M132 PolarHBondContact O-N 2.92Å; M132-V134 HydrophobicContact SD-CG2 4.17Å; M132-K166 HydrophobicContact CB-CB 4.47Å; M132-K166 HydrophobicContact CB-CG 4.19Å; M132-K166 WeakPolarHBondContact O-CE 3.5Å; M132-K166 WeakPolarHBondContact O-CG 3.27Å; M132-P169 HydrophobicContact CE-CB 4.12Å; M132-P169 VanDerWaalsContact CE-O 3.31Å; M132-P169 WeakPolarHBondContact CE-O 3.17Å
133	P	97.6	Very high	93.5	Very high	32 Å²	32	65.7 Å²	65.7	21%	0.208	33%	0.33	C	S	.	.	S	Bend	cis	-76.7	166.2	-2.2	36.6	-36.8	0	0	0	111.6	D135 E168 A171	P133-D135 PolarHBondContact O-N 2.79Å; P133-E168 WeakPolarHBondContact CB-O 3.18Å; P133-A171 HydrophobicContact CG-CB 3.95Å
134	V	97.7	Very high	93	Very high	41 Å²	41	68.1 Å²	68.1	25%	0.248	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-61.9	123.9	168	-178.1	0	0	0	0	108.6	M132 V136 P169 F170 A171	M132-V134 HydrophobicContact SD-CG2 4.17Å; V134-V136 PolarHBondContact O-N 2.67Å; V134-P169 PolarHBondContact N-O 3.38Å; V134-F170 HydrophobicContact CB-CD1 3.98Å; V134-F170 HydrophobicContact CG2-CD1 4.07Å; V134-F170 HydrophobicContact CG2-CE1 4.33Å; V134-F170 WeakPolarHBondContact O-CA 3.4Å; V134-A171 PolarHBondContact O-N 3.08Å
135	D	97.8	Very high	92.3	Very high	122 Å²	122	69.4 Å²	69.4	65%	0.652	37%	0.369	S	S	*	.	S	Bend	trans	-61.7	-45	-175.4	-66.6	-66	0	0	0	112.9	P133 R172	P133-D135 PolarHBondContact O-N 2.79Å; D135-R172 WeakPolarHBondContact O-CB 3.21Å; D135-R172 PolarHBondContact O-N 3.17Å
136	V	97.1	Very high	92	Very high	68 Å²	68	70.4 Å²	70.4	41%	0.412	37%	0.372	S	S	.	.			trans	-138	117.1	179.9	-176.1	0	0	0	0	109.5	V134 I138 L174	V134-V136 PolarHBondContact O-N 2.67Å; V136-I138 HydrophobicContact CG1-CG1 3.99Å; V136-L174 HydrophobicContact CG1-CB 4.39Å
137	Y	96.3	Very high	91.9	Very high	39 Å²	39	65.3 Å²	65.3	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125	170.6	-167.8	-118	0	0	0	110	Y109 H147 L148 F170 R172 L173 L174	Y109-Y137 VanDerWaalsContact OH-CE2 3.26Å; Y109-Y137 WeakPolarHBondContact OH-CE2 3.29Å; Y109-Y137 PolarHBondContact OH-OH 3.31Å; Y137-H147 AromaticContact CE1-NE2 3.63Å; Y137-H147 AromaticContact CZ-NE2 3.51Å; Y137-H147 PolarHBondContact OH-NE2 3.03Å; Y137-L148 HydrophobicContact CD1-CD2 3.86Å; Y137-L148 HydrophobicContact CE1-CD2 3.72Å; Y137-F170 HydrophobicContact CD1-CD1 4.39Å; Y137-F170 AromaticContact CD1-CD2 3.99Å; Y137-F170 HydrophobicContact CD1-CD2 3.99Å; Y137-F170 HydrophobicContact CD1-CE1 4.35Å; Y137-F170 AromaticContact CD1-CE2 3.96Å; Y137-F170 HydrophobicContact CD1-CE2 3.96Å; Y137-F170 HydrophobicContact CD1-CG 4.22Å; Y137-F170 HydrophobicContact CD1-CZ 4.14Å; Y137-F170 HydrophobicContact CD2-CD1 4.07Å; Y137-F170 AromaticContact CD2-CE1 3.88Å; Y137-F170 HydrophobicContact CD2-CE1 3.88Å; Y137-F170 HydrophobicContact CD2-CZ 4.3Å; Y137-F170 HydrophobicContact CE1-CE2 4.1Å; Y137-F170 HydrophobicContact CE1-CZ 4.11Å; Y137-F170 HydrophobicContact CE2-CE1 4.21Å; Y137-F170 HydrophobicContact CE2-CZ 4.31Å; Y137-F170 AromaticContact CG-CD1 3.84Å; Y137-F170 HydrophobicContact CG-CD1 3.84Å; Y137-F170 HydrophobicContact CG-CD2 4.22Å; Y137-F170 AromaticContact CG-CE1 3.97Å; Y137-F170 HydrophobicContact CG-CE1 3.97Å; Y137-F170 HydrophobicContact CG-CE2 4.35Å; Y137-F170 AromaticContact CG-CG 3.98Å; Y137-F170 HydrophobicContact CG-CG 3.98Å; Y137-F170 HydrophobicContact CG-CZ 4.22Å; Y137-R172 PolarHBondContact N-O 2.78Å; Y137-L173 HydrophobicContact CD1-CD1 3.75Å; Y137-L173 CarbonylContact O-C 3.57Å; Y137-L173 WeakPolarHBondContact O-CA 3.24Å; Y137-L174 PolarHBondContact O-N 3.21Å
138	I	95	Very high	91.7	Very high	105 Å²	105	63.6 Å²	63.6	54%	0.538	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.6	-178.9	-52.1	177	0	0	0	107.5	V136 L174	V136-I138 HydrophobicContact CG1-CG1 3.99Å; I138-L174 WeakPolarHBondContact CA-O 3.21Å; I138-L174 HydrophobicContact CD1-CD2 4.49Å; I138-L174 HydrophobicContact CG1-CB 4.3Å; I138-L174 HydrophobicContact CG1-CD2 4.38Å
139	G	91.2	Very high	91.6	Very high	12 Å²	12	69.4 Å²	69.4	12%	0.124	36%	0.361	C	S	.	.			trans	-164.8	154.4	-176.7	0	0	0	0	0	112.4	L174 P175 Q176	G139-L174 PolarHBondContact N-O 3.21Å; G139-P175 VanDerWaalsContact O-CA 3.26Å; G139-P175 WeakPolarHBondContact O-CA 3.43Å; G139-Q176 VanDerWaalsContact C-CD 3.48Å; G139-Q176 PolarHBondContact O-OE1 3.24Å
140	G	87.3	Confident	91.5	Very high	4 Å²	4	71.4 Å²	71.4	4%	0.041	37%	0.365	C	S	.	.			trans	-71.2	153.2	-177.5	0	0	0	0	0	112.6	E142 H143	G140-E142 VanDerWaalsContact C-CD 3.5Å; G140-E142 VanDerWaalsContact CA-OE1 3.24Å; G140-E142 WeakPolarHBondContact CA-OE1 3.26Å; G140-E142 WeakPolarHBondContact CA-OE2 3.22Å; G140-E142 PolarHBondContact O-N 3.42Å; G140-H143 PolarHBondContact O-N 2.83Å
141	K	85.7	Confident	91.4	Very high	157 Å²	157	64.4 Å²	64.4	68%	0.683	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.6	-177.1	66.3	178.3	-179.1	179.2	0	113.5	H143 A144	K141-H143 PolarHBondContact O-N 3.37Å; K141-A144 WeakPolarHBondContact O-CB 3.38Å; K141-A144 PolarHBondContact O-N 3.22Å; K141-A144 VanDerWaalsContact O-N 3.07Å
142	E	84.5	Confident	91.4	Very high	105 Å²	105	64.3 Å²	64.3	49%	0.491	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.7	175.9	66.7	-73.8	169.9	0	0	112.8	G140 A144	G140-E142 VanDerWaalsContact C-CD 3.5Å; G140-E142 VanDerWaalsContact CA-OE1 3.24Å; G140-E142 WeakPolarHBondContact CA-OE1 3.26Å; G140-E142 WeakPolarHBondContact CA-OE2 3.22Å; G140-E142 PolarHBondContact O-N 3.42Å; E142-A144 VanDerWaalsContact C-N 3.32Å
143	H	80.2	Confident	91.3	Very high	78 Å²	78	70 Å²	70	36%	0.361	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-84.8	-2	178.4	-70.2	-66.2	0	0	0	114	G140 K141 A145 L146 H147 L148	G140-H143 PolarHBondContact O-N 2.83Å; K141-H143 PolarHBondContact O-N 3.37Å; H143-A145 PolarHBondContact O-N 3.02Å; H143-L146 PolarHBondContact O-N 3.31Å; H143-H147 HydrophobicContact CB-CB 4.23Å; H143-H147 PolarHBondContact O-N 3.49Å; H143-L148 WeakPolarHBondContact O-CB 3.18Å; H143-L148 PolarHBondContact O-N 2.99Å
144	A	77	Confident	91.1	Very high	58 Å²	58	69.1 Å²	69.1	48%	0.479	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.6	-176	0	0	0	0	0	113.8	K141 E142 L148	K141-A144 WeakPolarHBondContact O-CB 3.38Å; K141-A144 PolarHBondContact O-N 3.22Å; K141-A144 VanDerWaalsContact O-N 3.07Å; E142-A144 VanDerWaalsContact C-N 3.32Å; A144-L148 HydrophobicContact CB-CD1 4.38Å
145	A	79.5	Confident	91	Very high	83 Å²	83	67.2 Å²	67.2	69%	0.686	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.3	-178.9	0	0	0	0	0	113.9	H143	H143-A145 PolarHBondContact O-N 3.02Å
146	L	88.6	Confident	91	Very high	73 Å²	73	67.2 Å²	67.2	38%	0.382	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-100.1	-174.9	-65.9	169.1	0	0	0	109.5	F103 H143 L148 F149 Y150	F103-L146 HydrophobicContact CD1-CB 4.33Å; F103-L146 HydrophobicContact CE1-CB 3.65Å; F103-L146 HydrophobicContact CE2-CB 4.37Å; F103-L146 HydrophobicContact CE2-CD1 4.29Å; F103-L146 HydrophobicContact CE2-CD2 4.24Å; F103-L146 HydrophobicContact CZ-CB 3.68Å; F103-L146 HydrophobicContact CZ-CD1 3.76Å; F103-L146 HydrophobicContact CZ-CD2 4.31Å; F103-L146 HydrophobicContact CZ-CG 4.13Å; H143-L146 PolarHBondContact O-N 3.31Å; L146-L148 VanDerWaalsContact C-N 3.31Å; L146-L148 PolarHBondContact O-N 3Å; L146-F149 WeakPolarHBondContact O-CB 3.19Å; L146-F149 PolarHBondContact O-N 3.14Å; L146-Y150 HydrophobicContact CD2-CE2 4.46Å; L146-Y150 WeakPolarHBondContact O-CD2 3.29Å; L146-Y150 PolarHBondContact O-N 3.44Å
147	H	92.8	Very high	90.9	Very high	10 Å²	10	68.2 Å²	68.2	5%	0.046	33%	0.33	C	S	.	.	H	α-helix	trans	-51.5	-45.3	-176.7	162.7	70.4	0	0	0	113.2	F103 S106 Y109 Y137 H143 F149 Y150 A151	F103-H147 HydrophobicContact CD1-CB 4.18Å; F103-H147 HydrophobicContact CE1-CB 4.01Å; S106-H147 PolarHBondContact O-CE1 2.8Å; S106-H147 PolarHBondContact O-ND1 2.87Å; Y109-H147 AromaticContact CE1-CE1 3.81Å; Y137-H147 AromaticContact CE1-NE2 3.63Å; Y137-H147 AromaticContact CZ-NE2 3.51Å; Y137-H147 PolarHBondContact OH-NE2 3.03Å; H143-H147 HydrophobicContact CB-CB 4.23Å; H143-H147 PolarHBondContact O-N 3.49Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 2.99Å; H147-Y150 PolarHBondContact O-N 2.88Å; H147-A151 VanDerWaalsContact O-CB 3.22Å; H147-A151 WeakPolarHBondContact O-CB 3.11Å; H147-A151 PolarHBondContact O-N 2.86Å
148	L	93.4	Very high	90.7	Very high	19 Å²	19	66.6 Å²	66.6	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-32.6	-178.6	-69.7	176.6	0	0	0	112.4	Y137 H143 A144 L146 R152 F170 L173	Y137-L148 HydrophobicContact CD1-CD2 3.86Å; Y137-L148 HydrophobicContact CE1-CD2 3.72Å; H143-L148 WeakPolarHBondContact O-CB 3.18Å; H143-L148 PolarHBondContact O-N 2.99Å; A144-L148 HydrophobicContact CB-CD1 4.38Å; L146-L148 VanDerWaalsContact C-N 3.31Å; L146-L148 PolarHBondContact O-N 3Å; L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.43Å; L148-F170 HydrophobicContact CD2-CD2 3.97Å; L148-F170 HydrophobicContact CD2-CE2 3.7Å; L148-L173 HydrophobicContact CD1-CD1 3.97Å; L148-L173 HydrophobicContact CD1-CD2 3.51Å; L148-L173 HydrophobicContact CD1-CG 4.42Å; L148-L173 HydrophobicContact CD2-CD1 4.15Å
149	F	93.5	Very high	90.7	Very high	124 Å²	124	64.2 Å²	64.2	54%	0.544	31%	0.312	S	S	.	.	H	α-helix	trans	-68.8	-50.4	173	177.3	-95.6	0	0	0	111.1	L146 H147 A151 R152 F153	L146-F149 WeakPolarHBondContact O-CB 3.19Å; L146-F149 PolarHBondContact O-N 3.14Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 2.99Å; F149-A151 PolarHBondContact O-N 3.12Å; F149-R152 PolarHBondContact O-N 3.11Å; F149-F153 PolarHBondContact O-N 3.42Å
150	Y	94.9	Very high	90.9	Very high	92 Å²	92	68 Å²	68	36%	0.361	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-38.2	-179	-63.1	-53.1	0	0	0	112.8	F103 L146 H147 R152 F153 M154	F103-Y150 HydrophobicContact CB-CD2 3.59Å; F103-Y150 HydrophobicContact CB-CE2 3.78Å; F103-Y150 HydrophobicContact CB-CG 4.44Å; F103-Y150 AromaticContact CD1-CD2 3.91Å; F103-Y150 HydrophobicContact CD1-CD2 3.91Å; F103-Y150 HydrophobicContact CD1-CE2 4.24Å; F103-Y150 HydrophobicContact CD2-CE2 4.17Å; F103-Y150 AromaticContact CG-CD2 3.78Å; F103-Y150 HydrophobicContact CG-CD2 3.78Å; F103-Y150 AromaticContact CG-CE2 3.79Å; F103-Y150 HydrophobicContact CG-CE2 3.79Å; L146-Y150 HydrophobicContact CD2-CE2 4.46Å; L146-Y150 WeakPolarHBondContact O-CD2 3.29Å; L146-Y150 PolarHBondContact O-N 3.44Å; H147-Y150 PolarHBondContact O-N 2.88Å; Y150-R152 VanDerWaalsContact C-N 3.32Å; Y150-R152 PolarHBondContact O-N 2.84Å; Y150-F153 PolarHBondContact O-N 3.28Å; Y150-M154 WeakPolarHBondContact O-CB 3.38Å; Y150-M154 PolarHBondContact O-N 3.19Å
151	A	95.5	Very high	91.2	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-41.6	175.7	0	0	0	0	0	111.9	S107 Y110 H147 F149 S155 P169 F170	S107-A151 WeakPolarHBondContact O-CA 3.31Å; Y110-A151 HydrophobicContact CE1-CB 3.95Å; Y110-A151 PolarHBondContact OH-O 3.35Å; H147-A151 VanDerWaalsContact O-CB 3.22Å; H147-A151 WeakPolarHBondContact O-CB 3.11Å; H147-A151 PolarHBondContact O-N 2.86Å; F149-A151 PolarHBondContact O-N 3.12Å; A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.41Å; A151-S155 PolarHBondContact O-N 2.95Å; A151-P169 HydrophobicContact CB-CG 4.24Å; A151-F170 HydrophobicContact CB-CE2 3.84Å; A151-F170 HydrophobicContact CB-CZ 4Å
152	R	96	Very high	91.5	Very high	119 Å²	119	66.9 Å²	66.9	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-43.8	176.4	-67.5	178.2	69.5	-152.9	-2.4	112.1	L148 F149 Y150 M154 S155 R156 E168 P169	L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.43Å; F149-R152 PolarHBondContact O-N 3.11Å; Y150-R152 VanDerWaalsContact C-N 3.32Å; Y150-R152 PolarHBondContact O-N 2.84Å; R152-M154 VanDerWaalsContact C-N 3.34Å; R152-M154 PolarHBondContact O-N 3Å; R152-S155 PolarHBondContact O-N 3.2Å; R152-R156 VanDerWaalsContact O-CG 3.32Å; R152-R156 WeakPolarHBondContact O-CG 3.26Å; R152-R156 PolarHBondContact O-N 3.49Å; R152-E168 VanDerWaalsContact CG-OE2 3.29Å; R152-E168 WeakPolarHBondContact CG-OE2 3.27Å; R152-E168 IonicContact CZ-OE1 3.48Å; R152-E168 IonicContact CZ-OE2 3.74Å; R152-E168 IonicContact NE-OE1 3.27Å; R152-E168 PolarHBondContact NE-OE1 3.08Å; R152-E168 IonicContact NE-OE2 2.82Å; R152-E168 PolarHBondContact NE-OE2 3.28Å; R152-E168 IonicContact NH2-OE1 2.79Å; R152-E168 PolarHBondContact NH2-OE1 3.14Å; R152-E168 IonicContact NH2-OE2 3.77Å; R152-P169 HydrophobicContact CG-CG 4.29Å
153	F	95.6	Very high	91.8	Very high	130 Å²	130	63.1 Å²	63.1	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-56.5	-50.8	174.6	170.5	-97.4	0	0	0	110.9	F149 Y150 R156 F157	F149-F153 PolarHBondContact O-N 3.42Å; Y150-F153 PolarHBondContact O-N 3.28Å; F153-R156 PolarHBondContact O-N 2.68Å; F153-F157 PolarHBondContact O-N 3.1Å
154	M	94.2	Very high	92.4	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-43.5	-178.8	-170.8	57.9	78.8	0	0	111.7	F26 F104 S107 W108 Y150 R152 R156 F157 L158	F26-M154 HydrophobicContact CZ-CE 4.22Å; F26-M154 HydrophobicContact CZ-SD 4.03Å; F104-M154 HydrophobicContact CD2-CE 4.33Å; F104-M154 HydrophobicContact CE2-CE 3.76Å; F104-M154 HydrophobicContact CZ-CE 4.21Å; S107-M154 WeakPolarHBondContact OG-CE 3.01Å; W108-M154 HydrophobicContact CB-CG 3.85Å; Y150-M154 WeakPolarHBondContact O-CB 3.38Å; Y150-M154 PolarHBondContact O-N 3.19Å; R152-M154 VanDerWaalsContact C-N 3.34Å; R152-M154 PolarHBondContact O-N 3Å; M154-R156 VanDerWaalsContact C-N 3.27Å; M154-R156 PolarHBondContact O-N 3.42Å; M154-F157 WeakPolarHBondContact O-CB 3.28Å; M154-F157 PolarHBondContact O-N 3.25Å; M154-F157 VanDerWaalsContact O-N 3.16Å; M154-F157 HydrophobicContact SD-CD1 3.92Å; M154-L158 HydrophobicContact CG-CD1 3.98Å; M154-L158 HydrophobicContact CG-CG 4.32Å; M154-L158 WeakPolarHBondContact O-CB 3.49Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.43Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.32Å
155	S	95.1	Very high	93.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-38.4	175.4	-168.5	0	0	0	0	112.5	A151 R152 N159 K166 P167	A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.41Å; A151-S155 PolarHBondContact O-N 2.95Å; R152-S155 PolarHBondContact O-N 3.2Å; S155-N159 VanDerWaalsContact O-CB 3.27Å; S155-N159 WeakPolarHBondContact O-CB 3.45Å; S155-N159 PolarHBondContact O-N 3.17Å; S155-K166 PolarHBondContact OG-O 3.4Å; S155-P167 PolarHBondContact OG-O 3.25Å
156	R	97.1	Very high	94.1	Very high	123 Å²	123	60.7 Å²	60.7	46%	0.464	30%	0.297	S	S	.	.	H	α-helix	trans	-70.8	-37.9	176.9	-71.4	177.1	174.3	-83.1	-0.3	112.4	R152 F153 M154 N159 S160 P167 E168	R152-R156 VanDerWaalsContact O-CG 3.32Å; R152-R156 WeakPolarHBondContact O-CG 3.26Å; R152-R156 PolarHBondContact O-N 3.49Å; F153-R156 PolarHBondContact O-N 2.68Å; M154-R156 VanDerWaalsContact C-N 3.27Å; M154-R156 PolarHBondContact O-N 3.42Å; R156-N159 PolarHBondContact O-N 2.82Å; R156-S160 PolarHBondContact O-N 3.33Å; R156-P167 HydrophobicContact CG-CB 4.41Å; R156-P167 WeakPolarHBondContact CG-O 3.35Å; R156-E168 IonicContact CZ-OE1 3.37Å; R156-E168 IonicContact NE-OE1 3.31Å; R156-E168 PolarHBondContact NE-OE1 3.36Å; R156-E168 IonicContact NH2-OE1 2.67Å; R156-E168 PolarHBondContact NH2-OE1 3.32Å
157	F	95	Very high	94.5	Very high	89 Å²	89	59.7 Å²	59.7	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-48.2	172.2	170.3	-104.4	0	0	0	111.4	F153 M154 N159 S160 I161	F153-F157 PolarHBondContact O-N 3.1Å; M154-F157 WeakPolarHBondContact O-CB 3.28Å; M154-F157 PolarHBondContact O-N 3.25Å; M154-F157 VanDerWaalsContact O-N 3.16Å; M154-F157 HydrophobicContact SD-CD1 3.92Å; F157-N159 PolarHBondContact O-N 3.43Å; F157-S160 PolarHBondContact O-N 3.36Å; F157-S160 PolarHBondContact O-OG 3.01Å; F157-I161 HydrophobicContact CE1-CD1 3.96Å; F157-I161 HydrophobicContact CE2-CG2 4.12Å; F157-I161 HydrophobicContact CZ-CD1 4.1Å; F157-I161 HydrophobicContact CZ-CG2 4.28Å; F157-I161 PolarHBondContact O-N 3Å
158	L	92.5	Very high	94.7	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-32.3	177.6	-64.7	173.3	0	0	0	111.8	W108 L111 M154 I161 G162 L163	W108-L158 HydrophobicContact CB-CD1 4.31Å; L111-L158 HydrophobicContact CD1-CD1 3.29Å; M154-L158 HydrophobicContact CG-CD1 3.98Å; M154-L158 HydrophobicContact CG-CG 4.32Å; M154-L158 WeakPolarHBondContact O-CB 3.49Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.43Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.32Å; L158-I161 HydrophobicContact CD2-CD1 4.36Å; L158-G162 PolarHBondContact O-N 3.21Å; L158-L163 HydrophobicContact CB-CB 4.4Å; L158-L163 HydrophobicContact CD2-CD1 3.64Å; L158-L163 PolarHBondContact O-N 3.29Å
159	N	95.2	Very high	94.8	Very high	55 Å²	55	60.6 Å²	60.6	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-67.4	-43	171.2	179.5	-110.3	0	0	0	113.2	S155 R156 F157 I161 G162 C164 N165	S155-N159 VanDerWaalsContact O-CB 3.27Å; S155-N159 WeakPolarHBondContact O-CB 3.45Å; S155-N159 PolarHBondContact O-N 3.17Å; R156-N159 PolarHBondContact O-N 2.82Å; F157-N159 PolarHBondContact O-N 3.43Å; N159-I161 PolarHBondContact O-N 3.19Å; N159-G162 PolarHBondContact O-N 3.41Å; N159-G162 VanDerWaalsContact O-N 3.1Å; N159-C164 WeakPolarHBondContact CA-O 3.15Å; N159-C164 WeakPolarHBondContact CB-O 3.16Å; N159-C164 PolarHBondContact ND2-O 3.25Å; N159-N165 PolarHBondContact ND2-O 3.41Å
160	S	96.1	Very high	95	Very high	91 Å²	91	56 Å²	56	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-66.6	-25.4	-179.5	72.4	0	0	0	0	113.3	R156 F157	R156-S160 PolarHBondContact O-N 3.33Å; F157-S160 PolarHBondContact O-N 3.36Å; F157-S160 PolarHBondContact O-OG 3.01Å
161	I	92.1	Very high	95.1	Very high	90 Å²	90	54.6 Å²	54.6	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.7	174.7	68.1	169.7	0	0	0	113.9	F157 L158 N159 L163	F157-I161 HydrophobicContact CE1-CD1 3.96Å; F157-I161 HydrophobicContact CE2-CG2 4.12Å; F157-I161 HydrophobicContact CZ-CD1 4.1Å; F157-I161 HydrophobicContact CZ-CG2 4.28Å; F157-I161 PolarHBondContact O-N 3Å; L158-I161 HydrophobicContact CD2-CD1 4.36Å; N159-I161 PolarHBondContact O-N 3.19Å; I161-L163 HydrophobicContact CD1-CD1 3.5Å; I161-L163 VanDerWaalsContact CD1-CD1 3.5Å; I161-L163 HydrophobicContact CD1-CG 4.19Å; I161-L163 HydrophobicContact CG1-CD1 4Å; I161-L163 HydrophobicContact CG1-CG 4.21Å
162	G	92.9	Very high	95.1	Very high	48 Å²	48	63.1 Å²	63.1	50%	0.495	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	10.8	172.6	0	0	0	0	0	116.2	L158 N159	L158-G162 PolarHBondContact O-N 3.21Å; N159-G162 PolarHBondContact O-N 3.41Å; N159-G162 VanDerWaalsContact O-N 3.1Å
163	L	90.6	Very high	95.1	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.141	32%	0.318	C	S	.	.	S	Bend	trans	-76.5	-26.7	177.8	-79.2	168.9	0	0	0	113.3	F121 P122 V125 L158 I161	F121-L163 HydrophobicContact CD1-CD2 4.35Å; P122-L163 HydrophobicContact CG-CD1 3.98Å; V125-L163 HydrophobicContact CG2-CD2 3.96Å; L158-L163 HydrophobicContact CB-CB 4.4Å; L158-L163 HydrophobicContact CD2-CD1 3.64Å; L158-L163 PolarHBondContact O-N 3.29Å; I161-L163 HydrophobicContact CD1-CD1 3.5Å; I161-L163 VanDerWaalsContact CD1-CD1 3.5Å; I161-L163 HydrophobicContact CD1-CG 4.19Å; I161-L163 HydrophobicContact CG1-CD1 4Å; I161-L163 HydrophobicContact CG1-CG 4.21Å
164	C	93.6	Very high	95	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.007	32%	0.316	C	S	.	.			trans	-145.3	127.4	176.7	179.6	0	0	0	0	110	A128 N159 K166	A128-C164 HydrophobicContact CB-CB 4.47Å; N159-C164 WeakPolarHBondContact CA-O 3.15Å; N159-C164 WeakPolarHBondContact CB-O 3.16Å; N159-C164 PolarHBondContact ND2-O 3.25Å; C164-K166 PolarHBondContact O-N 3.02Å
165	N	95.6	Very high	94.8	Very high	83 Å²	83	63 Å²	63	44%	0.444	34%	0.336	S	S	.	.	S	Bend	trans	-74.5	-7	-178.6	68.6	12.1	0	0	0	113.8	N129 N159	N129-N165 VanDerWaalsContact OD1-CB 3.31Å; N129-N165 WeakPolarHBondContact OD1-CB 3.38Å; N129-N165 PolarHBondContact OD1-N 2.89Å; N129-N165 PolarHBondContact OD1-ND2 3.33Å; N129-N165 PolarHBondContact OD1-OD1 3.17Å; N159-N165 PolarHBondContact ND2-O 3.41Å
166	K	95.9	Very high	94.6	Very high	83 Å²	83	67.6 Å²	67.6	36%	0.361	36%	0.357	S	S	.	.			trans	-98.6	123.3	177.5	-54	-59	-176.9	178	0	110.5	M132 S155 C164 E168	M132-K166 HydrophobicContact CB-CB 4.47Å; M132-K166 HydrophobicContact CB-CG 4.19Å; M132-K166 WeakPolarHBondContact O-CE 3.5Å; M132-K166 WeakPolarHBondContact O-CG 3.27Å; S155-K166 PolarHBondContact OG-O 3.4Å; C164-K166 PolarHBondContact O-N 3.02Å; K166-E168 VanDerWaalsContact C-N 3.34Å
167	P	96.4	Very high	94.3	Very high	52 Å²	52	64.8 Å²	64.8	34%	0.338	37%	0.367	S	S	.	.	S	Bend	trans	-77.7	-19.7	-180	30.6	-35.4	0	0	0	113.2	S155 R156	S155-P167 PolarHBondContact OG-O 3.25Å; R156-P167 HydrophobicContact CG-CB 4.41Å; R156-P167 WeakPolarHBondContact CG-O 3.35Å
168	E	97.4	Very high	94	Very high	48 Å²	48	67.2 Å²	67.2	22%	0.224	38%	0.381	C	S	.	.			trans	-113	137.1	179	-69.8	-70	167.7	0	0	109.6	P133 R152 R156 K166	P133-E168 WeakPolarHBondContact CB-O 3.18Å; R152-E168 VanDerWaalsContact CG-OE2 3.29Å; R152-E168 WeakPolarHBondContact CG-OE2 3.27Å; R152-E168 IonicContact CZ-OE1 3.48Å; R152-E168 IonicContact CZ-OE2 3.74Å; R152-E168 IonicContact NE-OE1 3.27Å; R152-E168 PolarHBondContact NE-OE1 3.08Å; R152-E168 IonicContact NE-OE2 2.82Å; R152-E168 PolarHBondContact NE-OE2 3.28Å; R152-E168 IonicContact NH2-OE1 2.79Å; R152-E168 PolarHBondContact NH2-OE1 3.14Å; R152-E168 IonicContact NH2-OE2 3.77Å; R156-E168 IonicContact CZ-OE1 3.37Å; R156-E168 IonicContact NE-OE1 3.31Å; R156-E168 PolarHBondContact NE-OE1 3.36Å; R156-E168 IonicContact NH2-OE1 2.67Å; R156-E168 PolarHBondContact NH2-OE1 3.32Å; K166-E168 VanDerWaalsContact C-N 3.34Å
169	P	96.9	Very high	93.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.423	C	S	.	.	S	Bend	trans	-80	-26.7	-173.8	30.2	-33.6	0	0	0	113.2	Y110 M132 V134 A151 R152	Y110-P169 HydrophobicContact CD2-CB 4.28Å; Y110-P169 HydrophobicContact CE1-CB 4.05Å; Y110-P169 HydrophobicContact CE2-CB 3.59Å; Y110-P169 VanDerWaalsContact CZ-CB 3.48Å; M132-P169 HydrophobicContact CE-CB 4.12Å; M132-P169 VanDerWaalsContact CE-O 3.31Å; M132-P169 WeakPolarHBondContact CE-O 3.17Å; V134-P169 PolarHBondContact N-O 3.38Å; A151-P169 HydrophobicContact CB-CG 4.24Å; R152-P169 HydrophobicContact CG-CG 4.29Å
170	F	97	Very high	93.4	Very high	27 Å²	27	78.9 Å²	78.9	12%	0.118	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-129.4	123.8	-172.4	-43.2	-52.2	0	0	0	109.9	Y110 V134 Y137 L148 A151	Y110-F170 AromaticContact CD1-CE1 3.8Å; Y110-F170 HydrophobicContact CD1-CE1 3.8Å; Y110-F170 AromaticContact CD1-CZ 3.83Å; Y110-F170 HydrophobicContact CD1-CZ 3.83Å; Y110-F170 HydrophobicContact CE1-CE1 4.26Å; Y110-F170 AromaticContact CE1-CZ 3.99Å; Y110-F170 HydrophobicContact CE1-CZ 3.99Å; Y110-F170 HydrophobicContact CG-CE1 4.06Å; V134-F170 HydrophobicContact CB-CD1 3.98Å; V134-F170 HydrophobicContact CG2-CD1 4.07Å; V134-F170 HydrophobicContact CG2-CE1 4.33Å; V134-F170 WeakPolarHBondContact O-CA 3.4Å; Y137-F170 HydrophobicContact CD1-CD1 4.39Å; Y137-F170 AromaticContact CD1-CD2 3.99Å; Y137-F170 HydrophobicContact CD1-CD2 3.99Å; Y137-F170 HydrophobicContact CD1-CE1 4.35Å; Y137-F170 AromaticContact CD1-CE2 3.96Å; Y137-F170 HydrophobicContact CD1-CE2 3.96Å; Y137-F170 HydrophobicContact CD1-CG 4.22Å; Y137-F170 HydrophobicContact CD1-CZ 4.14Å; Y137-F170 HydrophobicContact CD2-CD1 4.07Å; Y137-F170 AromaticContact CD2-CE1 3.88Å; Y137-F170 HydrophobicContact CD2-CE1 3.88Å; Y137-F170 HydrophobicContact CD2-CZ 4.3Å; Y137-F170 HydrophobicContact CE1-CE2 4.1Å; Y137-F170 HydrophobicContact CE1-CZ 4.11Å; Y137-F170 HydrophobicContact CE2-CE1 4.21Å; Y137-F170 HydrophobicContact CE2-CZ 4.31Å; Y137-F170 AromaticContact CG-CD1 3.84Å; Y137-F170 HydrophobicContact CG-CD1 3.84Å; Y137-F170 HydrophobicContact CG-CD2 4.22Å; Y137-F170 AromaticContact CG-CE1 3.97Å; Y137-F170 HydrophobicContact CG-CE1 3.97Å; Y137-F170 HydrophobicContact CG-CE2 4.35Å; Y137-F170 AromaticContact CG-CG 3.98Å; Y137-F170 HydrophobicContact CG-CG 3.98Å; Y137-F170 HydrophobicContact CG-CZ 4.22Å; L148-F170 HydrophobicContact CD2-CD2 3.97Å; L148-F170 HydrophobicContact CD2-CE2 3.7Å; A151-F170 HydrophobicContact CB-CE2 3.84Å; A151-F170 HydrophobicContact CB-CZ 4Å
171	A	97.1	Very high	92.9	Very high	64 Å²	64	78 Å²	78	53%	0.529	44%	0.443	S	S	.	.	S	Bend	trans	-74	-38.4	177.7	0	0	0	0	0	112	P133 V134	P133-A171 HydrophobicContact CG-CB 3.95Å; V134-A171 PolarHBondContact O-N 3.08Å
172	R	96	Very high	92.6	Very high	179 Å²	179	78 Å²	78	68%	0.675	45%	0.45	S	S	*	.			trans	-136	134.2	177.7	-59	174.6	64.7	-177.1	-1	109.9	D135 Y137	D135-R172 WeakPolarHBondContact O-CB 3.21Å; D135-R172 PolarHBondContact O-N 3.17Å; Y137-R172 PolarHBondContact N-O 2.78Å
173	L	94	Very high	92.3	Very high	86 Å²	86	80.3 Å²	80.3	45%	0.45	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.1	169	177.2	69.9	0	0	0	108.8	Y137 L148	Y137-L173 HydrophobicContact CD1-CD1 3.75Å; Y137-L173 CarbonylContact O-C 3.57Å; Y137-L173 WeakPolarHBondContact O-CA 3.24Å; L148-L173 HydrophobicContact CD1-CD1 3.97Å; L148-L173 HydrophobicContact CD1-CD2 3.51Å; L148-L173 HydrophobicContact CD1-CG 4.42Å; L148-L173 HydrophobicContact CD2-CD1 4.15Å
174	L	94.4	Very high	92.2	Very high	99 Å²	99	81.9 Å²	81.9	52%	0.518	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	99.9	172.8	-178.6	64.5	0	0	0	109.2	V136 Y137 I138 G139 Q176	V136-L174 HydrophobicContact CG1-CB 4.39Å; Y137-L174 PolarHBondContact O-N 3.21Å; I138-L174 WeakPolarHBondContact CA-O 3.21Å; I138-L174 HydrophobicContact CD1-CD2 4.49Å; I138-L174 HydrophobicContact CG1-CB 4.3Å; I138-L174 HydrophobicContact CG1-CD2 4.38Å; G139-L174 PolarHBondContact N-O 3.21Å; L174-Q176 PolarHBondContact O-N 3.07Å
175	P	91	Very high	92	Very high	75 Å²	75	87.4 Å²	87.4	49%	0.487	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-73.5	118	178.4	27.9	-31.7	0	0	0	111.3	G139	G139-P175 VanDerWaalsContact O-CA 3.26Å; G139-P175 WeakPolarHBondContact O-CA 3.43Å
176	Q	90.5	Very high	91.7	Very high	95 Å²	95	85.7 Å²	85.7	44%	0.444	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-72.4	147.5	171.7	71.7	-88.4	11.7	0	0	111.8	G139 L174	G139-Q176 VanDerWaalsContact C-CD 3.48Å; G139-Q176 PolarHBondContact O-OE1 3.24Å; L174-Q176 PolarHBondContact O-N 3.07Å
177	G	89.4	Confident	91.3	Very high	65 Å²	65	87 Å²	87	67%	0.67	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-69.1	162.8	167.6	0	0	0	0	0	111.9
178	M	89.6	Confident	90.9	Very high	139 Å²	139	93.9 Å²	93.9	69%	0.685	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-74.6	132.2	173.8	-68.7	179.4	168.3	0	0	110.1	M180	M178-M180 HydrophobicContact CB-SD 4.13Å; M178-M180 PolarHBondContact O-N 3.39Å
179	V	88.6	Confident	90.5	Very high	150 Å²	150	95 Å²	95	91%	0.909	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-75.3	116.8	168	-179.8	0	0	0	0	107.7
180	M	87.4	Confident	90.2	Very high	154 Å²	154	97 Å²	97	76%	0.759	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-97.3	140.6	-176.6	-58.6	-65	-72.6	0	0	110.5	M178	M178-M180 HydrophobicContact CB-SD 4.13Å; M178-M180 PolarHBondContact O-N 3.39Å
181	A	84.9	Confident	89.9	Confident	72 Å²	72	102.8 Å²	102.8	60%	0.595	59%	0.588	S	S	*	*			trans	-118.3	150.2	168.6	0	0	0	0	0	109.9	T183	A181-T183 PolarHBondContact O-N 3.17Å; A181-T183 VanDerWaalsContact O-N 3.17Å; A181-T183 PolarHBondContact O-OG1 3.15Å
182	P	86.6	Confident	89.6	Confident	91 Å²	91	107.4 Å²	107.4	59%	0.591	59%	0.593	S	S	*	*			trans	-51.4	125.6	172.3	-25.6	34.5	0	0	0	110.3	Y184	P182-Y184 HydrophobicContact CB-CE2 4.11Å
183	T	86.1	Confident	89.2	Confident	97 Å²	97	101.4 Å²	101.4	60%	0.595	58%	0.576	S	S	*	*			trans	-116.8	125	-178.3	-58.7	0	0	0	0	108	A181 Y192	A181-T183 PolarHBondContact O-N 3.17Å; A181-T183 VanDerWaalsContact O-N 3.17Å; A181-T183 PolarHBondContact O-OG1 3.15Å; T183-Y192 HydrophobicContact CG2-CD1 3.32Å; T183-Y192 HydrophobicContact CG2-CE1 3.36Å
184	Y	88.1	Confident	88.9	Confident	59 Å²	59	100.3 Å²	100.3	23%	0.231	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	140	-174.4	-53.8	-84.8	0	0	0	110.1	P182 Y192 V193 V198 R200	P182-Y184 HydrophobicContact CB-CE2 4.11Å; Y184-Y192 WeakPolarHBondContact O-CA 3.16Å; Y184-V193 PolarHBondContact O-N 3.4Å; Y184-V198 HydrophobicContact CD1-CB 4.24Å; Y184-V198 HydrophobicContact CD1-CG1 3.74Å; Y184-V198 HydrophobicContact CD1-CG2 3.98Å; Y184-V198 HydrophobicContact CD2-CB 4.31Å; Y184-V198 HydrophobicContact CD2-CG2 3.81Å; Y184-V198 HydrophobicContact CE1-CB 4.38Å; Y184-V198 HydrophobicContact CE1-CG1 3.78Å; Y184-V198 HydrophobicContact CE2-CB 4.45Å; Y184-V198 HydrophobicContact CE2-CG2 4.43Å; Y184-V198 HydrophobicContact CG-CB 4.2Å; Y184-V198 HydrophobicContact CG-CG1 4.19Å; Y184-V198 HydrophobicContact CG-CG2 3.56Å; Y184-R200 PolarHBondContact OH-NE 2.91Å; Y184-R200 PolarHBondContact OH-NH2 3.34Å
185	K	89.8	Confident	88.4	Confident	118 Å²	118	97.4 Å²	97.4	51%	0.513	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.3	143.6	173.8	-71.5	-177.5	179.8	179.4	0	109.5	K191 Y192	K185-K191 VanDerWaalsContact CA-O 3.3Å; K185-K191 WeakPolarHBondContact CA-O 3.4Å; K185-Y192 HydrophobicContact CD-CD1 4.4Å; K185-Y192 HydrophobicContact CD-CE1 4.1Å; K185-Y192 WeakPolarHBondContact CE-OH 3.25Å; K185-Y192 HydrophobicContact CG-CD1 3.77Å; K185-Y192 HydrophobicContact CG-CE1 3.93Å; K185-Y192 HydrophobicContact CG-CG 4.36Å; K185-Y192 PolarHBondContact NZ-OH 3.19Å
186	T	87.9	Confident	88.2	Confident	46 Å²	46	101.1 Å²	101.1	28%	0.282	59%	0.586	S	S	.	*			trans	-68.5	133.2	168.7	52.9	0	0	0	0	109.7	E188 S189 G190 K191 V193	T186-E188 VanDerWaalsContact C-N 3.27Å; T186-E188 PolarHBondContact O-N 2.95Å; T186-S189 PolarHBondContact OG1-OG 2.95Å; T186-G190 VanDerWaalsContact O-CA 3.25Å; T186-G190 WeakPolarHBondContact O-CA 3.3Å; T186-G190 PolarHBondContact O-N 3.29Å; T186-G190 PolarHBondContact OG1-N 3.05Å; T186-K191 PolarHBondContact N-O 3.41Å; T186-K191 PolarHBondContact OG1-N 3.48Å; T186-K191 PolarHBondContact OG1-O 3.03Å; T186-V193 HydrophobicContact CG2-CG1 4.28Å; T186-V193 HydrophobicContact CG2-CG2 4.17Å
187	A	87.7	Confident	87.9	Confident	112 Å²	112	104.7 Å²	104.7	93%	0.926	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-35.8	178	0	0	0	0	0	112.1
188	E	87.8	Confident	87.7	Confident	195 Å²	195	103.7 Å²	103.7	91%	0.911	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-43.8	-174.8	-63.6	166.6	-175.8	0	0	113.4	T186	T186-E188 VanDerWaalsContact C-N 3.27Å; T186-E188 PolarHBondContact O-N 2.95Å
189	S	90.4	Very high	87.4	Confident	72 Å²	72	106.1 Å²	106.1	50%	0.503	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.1	-9.1	-173.4	53.1	0	0	0	0	114.4	T186 K191	T186-S189 PolarHBondContact OG1-OG 2.95Å; S189-K191 PolarHBondContact O-N 3.06Å; S189-K191 VanDerWaalsContact O-N 3.12Å
190	G	89.2	Confident	86.9	Confident	42 Å²	42	107 Å²	107	43%	0.433	58%	0.577	S	S	.	*			trans	65.6	9	-176.7	0	0	0	0	0	114.3	T186	T186-G190 VanDerWaalsContact O-CA 3.25Å; T186-G190 WeakPolarHBondContact O-CA 3.3Å; T186-G190 PolarHBondContact O-N 3.29Å; T186-G190 PolarHBondContact OG1-N 3.05Å
191	K	91.4	Very high	86.6	Confident	148 Å²	148	105.8 Å²	105.8	64%	0.643	58%	0.584	S	S	*	*			trans	-75.8	137.7	-178.6	-73.1	-173.4	178.6	-180	0	110	K185 T186 S189	K185-K191 VanDerWaalsContact CA-O 3.3Å; K185-K191 WeakPolarHBondContact CA-O 3.4Å; T186-K191 PolarHBondContact N-O 3.41Å; T186-K191 PolarHBondContact OG1-N 3.48Å; T186-K191 PolarHBondContact OG1-O 3.03Å; S189-K191 PolarHBondContact O-N 3.06Å; S189-K191 VanDerWaalsContact O-N 3.12Å
192	Y	90.3	Very high	85.8	Confident	161 Å²	161	105.5 Å²	105.5	63%	0.631	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.6	134	172.5	-69.1	-77.9	0	0	0	110.5	T183 Y184 K185	T183-Y192 HydrophobicContact CG2-CD1 3.32Å; T183-Y192 HydrophobicContact CG2-CE1 3.36Å; Y184-Y192 WeakPolarHBondContact O-CA 3.16Å; K185-Y192 HydrophobicContact CD-CD1 4.4Å; K185-Y192 HydrophobicContact CD-CE1 4.1Å; K185-Y192 WeakPolarHBondContact CE-OH 3.25Å; K185-Y192 HydrophobicContact CG-CD1 3.77Å; K185-Y192 HydrophobicContact CG-CE1 3.93Å; K185-Y192 HydrophobicContact CG-CG 4.36Å; K185-Y192 PolarHBondContact NZ-OH 3.19Å
193	V	88.3	Confident	84.3	Confident	53 Å²	53	114 Å²	114	32%	0.321	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	138.7	175	-99.3	0	0	0	0	109.4	Y184 T186 V198	Y184-V193 PolarHBondContact O-N 3.4Å; T186-V193 HydrophobicContact CG2-CG1 4.28Å; T186-V193 HydrophobicContact CG2-CG2 4.17Å; V193-V198 HydrophobicContact CG2-CG2 4.49Å
194	S	87	Confident	84.2	Confident	64 Å²	64	114.8 Å²	114.8	45%	0.448	62%	0.621	S	S	.	*			trans	-62.1	143.1	173.6	175.2	0	0	0	0	109.8	N196 F197	S194-N196 PolarHBondContact O-N 2.72Å; S194-N196 PolarHBondContact OG-N 2.9Å; S194-F197 PolarHBondContact O-N 3.17Å
195	G	84.5	Confident	84	Confident	37 Å²	37	117.7 Å²	117.7	38%	0.381	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-57	-22.7	177.6	0	0	0	0	0	113.6	F197 V198	G195-F197 PolarHBondContact O-N 3.12Å; G195-V198 PolarHBondContact O-N 3.41Å
196	N	86.5	Confident	83.7	Confident	154 Å²	154	117.7 Å²	117.7	82%	0.824	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-68.3	-17.1	175.9	-62.3	-5.4	0	0	0	113.6	S194	S194-N196 PolarHBondContact O-N 2.72Å; S194-N196 PolarHBondContact OG-N 2.9Å
197	F	84.7	Confident	83.4	Confident	169 Å²	169	121.9 Å²	121.9	74%	0.741	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-101.2	7.8	176.6	-62.1	-70	0	0	0	112.7	S194 G195	S194-F197 PolarHBondContact O-N 3.17Å; G195-F197 PolarHBondContact O-N 3.12Å
198	V	84.4	Confident	83.2	Confident	45 Å²	45	122.6 Å²	122.6	27%	0.273	65%	0.654	S	S	.	*			trans	-109.6	103.6	-178	-178.1	0	0	0	0	108.8	Y184 V193 G195	Y184-V198 HydrophobicContact CD1-CB 4.24Å; Y184-V198 HydrophobicContact CD1-CG1 3.74Å; Y184-V198 HydrophobicContact CD1-CG2 3.98Å; Y184-V198 HydrophobicContact CD2-CB 4.31Å; Y184-V198 HydrophobicContact CD2-CG2 3.81Å; Y184-V198 HydrophobicContact CE1-CB 4.38Å; Y184-V198 HydrophobicContact CE1-CG1 3.78Å; Y184-V198 HydrophobicContact CE2-CB 4.45Å; Y184-V198 HydrophobicContact CE2-CG2 4.43Å; Y184-V198 HydrophobicContact CG-CB 4.2Å; Y184-V198 HydrophobicContact CG-CG1 4.19Å; Y184-V198 HydrophobicContact CG-CG2 3.56Å; V193-V198 HydrophobicContact CG2-CG2 4.49Å; G195-V198 PolarHBondContact O-N 3.41Å
199	E	84	Confident	82.9	Confident	189 Å²	189	117.7 Å²	117.7	88%	0.883	64%	0.637	S	S	*	*			trans	-77.5	125.7	161.8	-78	-174.1	156.2	0	0	109
200	R	78.1	Confident	82.3	Confident	170 Å²	170	121 Å²	121	64%	0.642	65%	0.646	S	S	*	*			trans	-87.9	114.4	171	-70	-175.2	176	-168.2	-2.4	108.5	Y184	Y184-R200 PolarHBondContact OH-NE 2.91Å; Y184-R200 PolarHBondContact OH-NH2 3.34Å
201	S	80.8	Confident	81.8	Confident	127 Å²	127	127.1 Å²	127.1	89%	0.888	66%	0.663	S	S	*	*			trans	-100.3	102.1	167.4	46.5	0	0	0	0	109.4
202	G	69.1	Low	81	Confident	66 Å²	66	125.3 Å²	125.3	68%	0.68	66%	0.664	S	S	*	*			trans	113.2	173.9	-179.5	0	0	0	0	0	114.4
203	E	54.4	Low	80.2	Confident	269 Å²	269	122.1 Å²	122.1	100%	1.257	67%	0.667	S	S	*	*			trans	-80.7	0	169.4	-76	-171.6	158.6	0	0	112

Retrieved 203 of 203 residues in 138.1 ms (Link to these results)

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