A0A077Z723_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z723, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 aa.

						>A0A077Z723_TRITR|A0A077Z723
CVFADSLCFDAYCVQANELSVNCEKSEDCRTQNATKRNAGRACRDTKCYEILADKLCATHLSCDEAHVCLRNHCVPSVATSMECFGDLLCGIGRRCLGGLCYRPREYSKQEDVSH
					

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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	C	90.6	Very high	93	Very high	57 Å²	57	56.1 Å²	56.1	39%	0.385	36%	0.358	S	S	.	.				0	125.5	0	-55.2	0	0	0	0	109.5	S6 C8 C13	C1-S6 WeakPolarHBondContact CB-OG 3.42Å; C1-C8 WeakPolarHBondContact SG-CA 3.4Å; C1-C8 WeakPolarHBondContact SG-CB 3.47Å; C1-C13 WeakPolarHBondContact CA-SG 2.93Å; C1-C13 HydrophobicContact CB-CB 3.67Å; C1-C13 WeakPolarHBondContact CB-SG 2.99Å; C1-C13 PolarHBondContact N-SG 2.95Å; C1-C13 VanDerWaalsContact N-SG 3.4Å; C1-C13 WeakPolarHBondContact SG-CA 3.04Å; C1-C13 WeakPolarHBondContact SG-CB 3Å; C1-C13 CovalentContact SG-SG 2.03Å; C1-C13 PolarHBondContact SG-SG 3.37Å
2	V	90.3	Very high	93.2	Very high	136 Å²	136	53.9 Å²	53.9	82%	0.824	34%	0.338	S	S	*	.			trans	-86.4	-35.2	-170.8	-177.3	0	0	0	0	111.8
3	F	92	Very high	93.4	Very high	68 Å²	68	51.5 Å²	51.5	30%	0.298	32%	0.324	S	S	.	.	S	Bend	trans	-84.2	142.6	-176.6	-54.7	-70.7	0	0	0	112	D5 S6 R44 Y107 K109	F3-D5 VanDerWaalsContact C-N 3.35Å; F3-D5 WeakPolarHBondContact CB-OD1 3.4Å; F3-D5 PolarHBondContact O-N 2.88Å; F3-S6 PolarHBondContact O-N 3.21Å; F3-S6 PolarHBondContact O-OG 3.34Å; F3-R44 VanDerWaalsContact O-CZ 3.28Å; F3-R44 PolarHBondContact O-NH1 2.73Å; F3-R44 PolarHBondContact O-NH2 2.82Å; F3-R44 VanDerWaalsContact O-NH2 3.14Å; F3-Y107 HydrophobicContact CB-CD1 3.85Å; F3-Y107 HydrophobicContact CB-CE1 3.77Å; F3-Y107 AromaticContact CD2-CD1 3.73Å; F3-Y107 HydrophobicContact CD2-CD1 3.73Å; F3-Y107 HydrophobicContact CD2-CE1 4.13Å; F3-Y107 WeakPolarHBondContact CD2-O 3.36Å; F3-Y107 VanDerWaalsContact CE2-O 3.24Å; F3-Y107 WeakPolarHBondContact CE2-O 3.34Å; F3-Y107 HydrophobicContact CG-CD1 4.04Å; F3-Y107 HydrophobicContact CG-CE1 4.03Å; F3-K109 HydrophobicContact CD1-CD 4.03Å; F3-K109 HydrophobicContact CD1-CG 3.95Å; F3-K109 HydrophobicContact CE1-CB 4.45Å; F3-K109 HydrophobicContact CE1-CD 4.24Å; F3-K109 HydrophobicContact CE1-CG 4.01Å; F3-K109 HydrophobicContact CG-CG 4.46Å
4	A	90.7	Very high	93.6	Very high	60 Å²	60	48.1 Å²	48.1	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.7	-176.5	0	0	0	0	0	112.8	S6 Y49	A4-S6 PolarHBondContact O-N 3.25Å; A4-S6 VanDerWaalsContact O-N 3.09Å; A4-Y49 WeakPolarHBondContact O-CE1 3.02Å
5	D	92.9	Very high	93.8	Very high	47 Å²	47	50.4 Å²	50.4	25%	0.251	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	36.2	176.7	50	-8.6	0	0	0	113	F3 A16 Y107	F3-D5 VanDerWaalsContact C-N 3.35Å; F3-D5 WeakPolarHBondContact CB-OD1 3.4Å; F3-D5 PolarHBondContact O-N 2.88Å; D5-A16 CarbonylContact C-O 3.55Å; D5-A16 PolarHBondContact O-N 2.02Å; D5-Y107 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y107 WeakPolarHBondContact OD1-CE1 3.27Å; D5-Y107 PolarHBondContact OD2-OH 3.05Å; D5-Y107 VanDerWaalsContact OD2-OH 3.05Å
6	S	95.5	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.3	175.5	64.2	0	0	0	0	113	C1 F3 A4 V14 R44	C1-S6 WeakPolarHBondContact CB-OG 3.42Å; F3-S6 PolarHBondContact O-N 3.21Å; F3-S6 PolarHBondContact O-OG 3.34Å; A4-S6 PolarHBondContact O-N 3.25Å; A4-S6 VanDerWaalsContact O-N 3.09Å; S6-V14 CarbonylContact C-O 3.54Å; S6-V14 WeakPolarHBondContact CA-O 3.4Å; S6-V14 VanDerWaalsContact CB-O 3.24Å; S6-V14 WeakPolarHBondContact CB-O 3.37Å; S6-R44 PolarHBondContact O-NH1 3.24Å; S6-R44 PolarHBondContact OG-NH1 3.36Å
7	L	96	Very high	94.2	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.4	173.1	-78.1	179	0	0	0	110.6	F9 C13 V14 A16 A42 R44 Y49	L7-F9 HydrophobicContact CB-CD2 3.93Å; L7-F9 HydrophobicContact CB-CE2 3.74Å; L7-F9 HydrophobicContact CD1-CE2 3.59Å; L7-F9 HydrophobicContact CD1-CZ 4.15Å; L7-F9 HydrophobicContact CG-CE2 4.3Å; L7-C13 WeakPolarHBondContact O-CA 3.35Å; L7-V14 PolarHBondContact N-O 3.45Å; L7-V14 PolarHBondContact O-N 2.77Å; L7-A16 HydrophobicContact CB-CB 4.16Å; L7-A16 HydrophobicContact CD1-CB 3.94Å; L7-A16 HydrophobicContact CG-CB 3.71Å; L7-A42 HydrophobicContact CD1-CB 4.08Å; L7-A42 HydrophobicContact CD2-CB 3.98Å; L7-R44 HydrophobicContact CD2-CB 4.14Å; L7-Y49 HydrophobicContact CD2-CG 4.39Å
8	C	94.9	Very high	94.3	Very high	83 Å²	83	52.6 Å²	52.6	56%	0.561	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.6	173.9	-165	0	0	0	0	109.6	C1 Y12	C1-C8 WeakPolarHBondContact SG-CA 3.4Å; C1-C8 WeakPolarHBondContact SG-CB 3.47Å; C8-Y12 WeakPolarHBondContact CA-O 3.18Å
9	F	95.6	Very high	94.4	Very high	23 Å²	23	51.7 Å²	51.7	10%	0.101	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.5	172.5	-73.9	-64.9	0	0	0	110.4	L7 A11 Y12 V14 A42 I51 L70 R71	L7-F9 HydrophobicContact CB-CD2 3.93Å; L7-F9 HydrophobicContact CB-CE2 3.74Å; L7-F9 HydrophobicContact CD1-CE2 3.59Å; L7-F9 HydrophobicContact CD1-CZ 4.15Å; L7-F9 HydrophobicContact CG-CE2 4.3Å; F9-A11 PolarHBondContact O-N 2.75Å; F9-A11 VanDerWaalsContact O-N 3.14Å; F9-Y12 PolarHBondContact N-O 2.9Å; F9-Y12 PolarHBondContact O-N 3.01Å; F9-V14 HydrophobicContact CD2-CG2 4.33Å; F9-A42 HydrophobicContact CE1-CB 4.38Å; F9-A42 HydrophobicContact CZ-CB 3.81Å; F9-I51 HydrophobicContact CD2-CD1 3.64Å; F9-I51 HydrophobicContact CD2-CG1 3.91Å; F9-I51 HydrophobicContact CE2-CD1 3.76Å; F9-I51 HydrophobicContact CE2-CG1 3.74Å; F9-L70 HydrophobicContact CB-CD2 4.17Å; F9-L70 HydrophobicContact CB-CG 4.47Å; F9-R71 HydrophobicContact CB-CG 4.01Å; F9-R71 HydrophobicContact CD1-CG 3.83Å; F9-R71 HydrophobicContact CD2-CG 4.47Å; F9-R71 HydrophobicContact CE1-CG 4.38Å; F9-R71 HydrophobicContact CG-CG 3.87Å
10	D	92.4	Very high	94.4	Very high	46 Å²	46	55.5 Å²	55.5	25%	0.246	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	39.4	176.8	-52.5	-26.4	0	0	0	112.9	Y12 L70 R71 I92	D10-Y12 VanDerWaalsContact C-N 3.26Å; D10-Y12 HydrophobicContact CB-CD2 4.48Å; D10-Y12 WeakPolarHBondContact O-CD2 3.35Å; D10-Y12 VanDerWaalsContact O-CE2 3.23Å; D10-Y12 WeakPolarHBondContact O-CE2 3.47Å; D10-Y12 PolarHBondContact O-N 3.06Å; D10-L70 HydrophobicContact CB-CD1 3.96Å; D10-L70 WeakPolarHBondContact OD2-CD1 3.48Å; D10-R71 IonicContact OD1-CZ 2.93Å; D10-R71 IonicContact OD1-NE 2.74Å; D10-R71 PolarHBondContact OD1-NE 3.11Å; D10-R71 IonicContact OD1-NH2 2.7Å; D10-R71 PolarHBondContact OD1-NH2 2.98Å; D10-R71 IonicContact OD2-NE 3.02Å; D10-R71 PolarHBondContact OD2-NE 3.02Å; D10-I92 HydrophobicContact CB-CG2 3.95Å
11	A	92.3	Very high	94.5	Very high	90 Å²	90	56.3 Å²	56.3	74%	0.744	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	8.3	-175	0	0	0	0	0	116.4	F9	F9-A11 PolarHBondContact O-N 2.75Å; F9-A11 VanDerWaalsContact O-N 3.14Å
12	Y	94.9	Very high	94.9	Very high	30 Å²	30	59 Å²	59	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.6	174	-58.2	-79.9	0	0	0	111.6	C8 F9 D10 R94 R103 P104 E106	C8-Y12 WeakPolarHBondContact CA-O 3.18Å; F9-Y12 PolarHBondContact N-O 2.9Å; F9-Y12 PolarHBondContact O-N 3.01Å; D10-Y12 VanDerWaalsContact C-N 3.26Å; D10-Y12 HydrophobicContact CB-CD2 4.48Å; D10-Y12 WeakPolarHBondContact O-CD2 3.35Å; D10-Y12 VanDerWaalsContact O-CE2 3.23Å; D10-Y12 WeakPolarHBondContact O-CE2 3.47Å; D10-Y12 PolarHBondContact O-N 3.06Å; Y12-R94 HydrophobicContact CE2-CG 4.48Å; Y12-R94 WeakPolarHBondContact OH-CD 3.44Å; Y12-R94 WeakPolarHBondContact OH-CG 3.01Å; Y12-R94 PolarHBondContact OH-NE 2.91Å; Y12-R103 HydrophobicContact CE1-CB 3.96Å; Y12-R103 HydrophobicContact CE1-CG 4.42Å; Y12-P104 HydrophobicContact CD1-CB 4.14Å; Y12-P104 HydrophobicContact CD1-CG 4.18Å; Y12-P104 HydrophobicContact CD2-CB 4.35Å; Y12-P104 HydrophobicContact CD2-CG 3.67Å; Y12-P104 HydrophobicContact CE2-CG 4.07Å; Y12-P104 HydrophobicContact CG-CB 3.9Å; Y12-P104 HydrophobicContact CG-CG 3.73Å; Y12-E106 HydrophobicContact CD1-CG 4.32Å
13	C	96.5	Very high	95.2	Very high	22 Å²	22	53 Å²	53	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.4	169.5	-65.4	0	0	0	0	109.2	C1 L7 E106 Y107	C1-C13 WeakPolarHBondContact CA-SG 2.93Å; C1-C13 HydrophobicContact CB-CB 3.67Å; C1-C13 WeakPolarHBondContact CB-SG 2.99Å; C1-C13 PolarHBondContact N-SG 2.95Å; C1-C13 VanDerWaalsContact N-SG 3.4Å; C1-C13 WeakPolarHBondContact SG-CA 3.04Å; C1-C13 WeakPolarHBondContact SG-CB 3Å; C1-C13 CovalentContact SG-SG 2.03Å; C1-C13 PolarHBondContact SG-SG 3.37Å; L7-C13 WeakPolarHBondContact O-CA 3.35Å; C13-E106 CarbonylContact O-C 3.58Å; C13-E106 WeakPolarHBondContact O-CA 3.3Å; C13-Y107 WeakPolarHBondContact O-CB 3.31Å; C13-Y107 PolarHBondContact O-N 3.15Å
14	V	96	Very high	95.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.1	-178.2	-64.2	0	0	0	0	110.9	S6 L7 F9 I51 L70 P104	S6-V14 CarbonylContact C-O 3.54Å; S6-V14 WeakPolarHBondContact CA-O 3.4Å; S6-V14 VanDerWaalsContact CB-O 3.24Å; S6-V14 WeakPolarHBondContact CB-O 3.37Å; L7-V14 PolarHBondContact N-O 3.45Å; L7-V14 PolarHBondContact O-N 2.77Å; F9-V14 HydrophobicContact CD2-CG2 4.33Å; V14-I51 HydrophobicContact CG2-CD1 4.24Å; V14-I51 HydrophobicContact CG2-CG1 3.94Å; V14-I51 HydrophobicContact CG2-CG2 4.47Å; V14-L70 HydrophobicContact CG1-CD2 3.6Å; V14-L70 HydrophobicContact CG2-CD2 4.27Å; V14-P104 HydrophobicContact CG1-CB 4.13Å
15	Q	96.6	Very high	95.9	Very high	83 Å²	83	61.3 Å²	61.3	39%	0.388	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	137.9	177.4	-166.8	169.7	13.3	0	0	110.7	L52 Y107	Q15-L52 HydrophobicContact CB-CB 4.39Å; Q15-L52 HydrophobicContact CG-CB 4.2Å; Q15-L52 HydrophobicContact CG-CD2 3.99Å; Q15-L52 PolarHBondContact O-N 2.89Å; Q15-Y107 HydrophobicContact CB-CD2 3.57Å; Q15-Y107 HydrophobicContact CB-CE2 3.89Å; Q15-Y107 HydrophobicContact CB-CG 4.2Å; Q15-Y107 HydrophobicContact CG-CD2 3.82Å; Q15-Y107 HydrophobicContact CG-CE2 3.57Å
16	A	97.3	Very high	96.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.2	-179.4	0	0	0	0	0	111.3	D5 L7 Y49 E50	D5-A16 CarbonylContact C-O 3.55Å; D5-A16 PolarHBondContact O-N 2.02Å; L7-A16 HydrophobicContact CB-CB 4.16Å; L7-A16 HydrophobicContact CD1-CB 3.94Å; L7-A16 HydrophobicContact CG-CB 3.71Å; A16-Y49 HydrophobicContact CB-CD1 4.41Å; A16-E50 CarbonylContact C-O 3.59Å; A16-E50 WeakPolarHBondContact CA-O 3.37Å; A16-E50 VanDerWaalsContact CB-O 3.32Å; A16-E50 WeakPolarHBondContact CB-O 3.43Å
17	N	96.7	Very high	96.1	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134	173.3	-73.5	-19.1	0	0	0	110.3	Y49 E50	N17-Y49 CarbonylContact O-C 3.5Å; N17-Y49 WeakPolarHBondContact O-CA 3.5Å; N17-E50 PolarHBondContact N-O 3.35Å; N17-E50 PolarHBondContact O-N 2.72Å
18	E	96.4	Very high	96.1	Very high	106 Å²	106	68.3 Å²	68.3	50%	0.495	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.1	166.5	-169.3	175.7	139.9	0	0	109.7	K47 Y49	E18-K47 HydrophobicContact CG-CB 4.06Å; E18-K47 HydrophobicContact CG-CG 4.45Å; E18-Y49 VanDerWaalsContact CA-CD1 3.46Å; E18-Y49 HydrophobicContact CB-CD1 3.94Å; E18-Y49 HydrophobicContact CB-CE1 3.45Å; E18-Y49 VanDerWaalsContact CB-CE1 3.45Å; E18-Y49 HydrophobicContact CG-CE1 3.91Å; E18-Y49 HydrophobicContact CG-CE2 4.32Å; E18-Y49 PolarHBondContact OE2-OH 3.37Å
19	L	95.6	Very high	96.3	Very high	35 Å²	35	64.5 Å²	64.5	18%	0.183	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.1	170.8	-52	-177.4	0	0	0	108.5	V21 C48 E50	L19-V21 PolarHBondContact O-N 2.04Å; L19-C48 HydrophobicContact CB-CB 3.96Å; L19-C48 WeakPolarHBondContact CB-O 3.46Å; L19-C48 HydrophobicContact CD1-CB 4.01Å; L19-C48 HydrophobicContact CG-CB 4.31Å; L19-C48 PolarHBondContact N-O 2.67Å; L19-E50 HydrophobicContact CD1-CB 4.35Å; L19-E50 HydrophobicContact CD2-CB 4.25Å
20	S	94.6	Very high	96.4	Very high	127 Å²	127	69.8 Å²	69.8	89%	0.888	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	43.1	176.7	-51	0	0	0	0	113.3
21	V	96.8	Very high	96.5	Very high	74 Å²	74	70.6 Å²	70.6	45%	0.448	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.5	-176.3	-178.6	0	0	0	0	108.2	L19 C48	L19-V21 PolarHBondContact O-N 2.04Å; V21-C48 HydrophobicContact CB-CB 4.19Å; V21-C48 PolarHBondContact O-N 2.89Å
22	N	98.1	Very high	96.5	Very high	113 Å²	113	74.8 Å²	74.8	60%	0.604	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	151	173.7	-63.6	-20.4	0	0	0	110.3	T46 K47	N22-T46 CarbonylContact C-O 3.59Å; N22-T46 WeakPolarHBondContact CA-O 3.47Å; N22-K47 WeakPolarHBondContact OD1-CD 3.09Å; N22-K47 WeakPolarHBondContact OD1-CE 3.4Å; N22-K47 PolarHBondContact OD1-NZ 2.93Å
23	C	98.3	Very high	96.1	Very high	10 Å²	10	81.3 Å²	81.3	7%	0.068	42%	0.419	C	S	.	.			trans	-147.9	157.5	-179.9	55.1	0	0	0	0	111.8	D28 C43 T46 K47 C48	C23-D28 HydrophobicContact CB-CB 3.82Å; C23-C43 HydrophobicContact CB-CB 3.74Å; C23-C43 WeakPolarHBondContact CB-SG 3.32Å; C23-C43 PolarHBondContact O-SG 2.98Å; C23-C43 VanDerWaalsContact O-SG 3.37Å; C23-C43 WeakPolarHBondContact SG-CA 3.3Å; C23-C43 WeakPolarHBondContact SG-CB 3.46Å; C23-C43 CovalentContact SG-SG 2.02Å; C23-C43 PolarHBondContact SG-SG 2.92Å; C23-T46 PolarHBondContact N-O 2.85Å; C23-T46 WeakPolarHBondContact O-CA 3.45Å; C23-K47 PolarHBondContact SG-O 2.86Å; C23-C48 VanDerWaalsContact CB-SG 3.56Å
24	E	98.2	Very high	95.9	Very high	186 Å²	186	81.4 Å²	81.4	87%	0.869	42%	0.422	S	S	*	.	S	Bend	trans	-103.5	-32	167	-62.8	-177.1	171.1	0	0	110.5	D28	E24-D28 PolarHBondContact N-OD2 3.45Å
25	K	97.7	Very high	95.7	Very high	117 Å²	117	87 Å²	87	51%	0.509	46%	0.456	S	S	.	.	S	Bend	trans	-144.1	161.9	-179.2	59	-176.9	174.8	-163.2	0	111.6	E27 D28 C43	K25-E27 HydrophobicContact CD-CB 4.27Å; K25-E27 HydrophobicContact CG-CB 4.19Å; K25-E27 PolarHBondContact O-N 3.25Å; K25-E27 VanDerWaalsContact O-N 3.15Å; K25-D28 WeakPolarHBondContact CE-OD1 3.4Å; K25-D28 WeakPolarHBondContact CG-OD2 3.4Å; K25-D28 PolarHBondContact N-OD2 3.47Å; K25-D28 WeakPolarHBondContact O-CB 3.46Å; K25-D28 PolarHBondContact O-N 2.94Å; K25-C43 WeakPolarHBondContact O-CB 3.34Å
26	S	96.7	Very high	95.7	Very high	42 Å²	42	88.2 Å²	88.2	29%	0.294	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.7	-175.1	-64.6	0	0	0	0	114.2	D28 C29 A42 C43	S26-D28 PolarHBondContact O-N 3.14Å; S26-C29 PolarHBondContact O-N 2.83Å; S26-A42 WeakPolarHBondContact OG-CA 3.25Å; S26-C43 PolarHBondContact OG-N 3.28Å; S26-C43 VanDerWaalsContact OG-N 3.08Å
27	E	96.1	Very high	95.6	Very high	90 Å²	90	93.3 Å²	93.3	42%	0.421	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-58.2	-34.4	173.2	-71.3	57.4	-134.8	0	0	112.4	K25 C29 R30	K25-E27 HydrophobicContact CD-CB 4.27Å; K25-E27 HydrophobicContact CG-CB 4.19Å; K25-E27 PolarHBondContact O-N 3.25Å; K25-E27 VanDerWaalsContact O-N 3.15Å; E27-C29 PolarHBondContact O-N 2.76Å; E27-R30 WeakPolarHBondContact O-CB 3.33Å; E27-R30 WeakPolarHBondContact O-CG 3.48Å; E27-R30 PolarHBondContact O-N 3.37Å; E27-R30 IonicContact OE1-CZ 2.59Å; E27-R30 IonicContact OE1-NH1 2.83Å; E27-R30 IonicContact OE1-NH2 3.58Å; E27-R30 PolarHBondContact OE1-NH2 3.26Å
28	D	97.5	Very high	95.7	Very high	68 Å²	68	90.3 Å²	90.3	36%	0.364	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19.7	-176.7	-50.9	-28.6	0	0	0	111.7	C23 E24 K25 S26 R30	C23-D28 HydrophobicContact CB-CB 3.82Å; E24-D28 PolarHBondContact N-OD2 3.45Å; K25-D28 WeakPolarHBondContact CE-OD1 3.4Å; K25-D28 WeakPolarHBondContact CG-OD2 3.4Å; K25-D28 PolarHBondContact N-OD2 3.47Å; K25-D28 WeakPolarHBondContact O-CB 3.46Å; K25-D28 PolarHBondContact O-N 2.94Å; S26-D28 PolarHBondContact O-N 3.14Å; D28-R30 VanDerWaalsContact C-N 3.33Å
29	C	97.9	Very high	95.7	Very high	4 Å²	4	86.7 Å²	86.7	3%	0.027	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-85.6	-4.7	179.9	-55.5	0	0	0	0	113.6	S26 E27 R41 C48	S26-C29 PolarHBondContact O-N 2.83Å; E27-C29 PolarHBondContact O-N 2.76Å; C29-R41 HydrophobicContact CB-CB 4.18Å; C29-R41 WeakPolarHBondContact O-CD 3.41Å; C29-R41 PolarHBondContact O-NH1 3.4Å; C29-R41 VanDerWaalsContact O-NH1 3.12Å; C29-C48 WeakPolarHBondContact CA-SG 3.13Å; C29-C48 HydrophobicContact CB-CB 3.68Å; C29-C48 WeakPolarHBondContact CB-SG 3.27Å; C29-C48 WeakPolarHBondContact SG-CA 3.45Å; C29-C48 WeakPolarHBondContact SG-CB 3.39Å; C29-C48 CovalentContact SG-SG 2.04Å; C29-C48 PolarHBondContact SG-SG 3.14Å
30	R	97	Very high	95.8	Very high	133 Å²	133	85 Å²	85	50%	0.502	44%	0.442	S	S	.	.			trans	-79	140.4	-178.4	-60.1	-178.6	-176.6	152.1	12.3	110.8	E27 D28 N38	E27-R30 WeakPolarHBondContact O-CB 3.33Å; E27-R30 WeakPolarHBondContact O-CG 3.48Å; E27-R30 PolarHBondContact O-N 3.37Å; E27-R30 IonicContact OE1-CZ 2.59Å; E27-R30 IonicContact OE1-NH1 2.83Å; E27-R30 IonicContact OE1-NH2 3.58Å; E27-R30 PolarHBondContact OE1-NH2 3.26Å; D28-R30 VanDerWaalsContact C-N 3.33Å; R30-N38 WeakPolarHBondContact CA-OD1 3.28Å; R30-N38 HydrophobicContact CB-CB 4.36Å; R30-N38 HydrophobicContact CG-CB 4.16Å
31	T	94.9	Very high	95.9	Very high	63 Å²	63	80.2 Å²	80.2	39%	0.387	41%	0.405	S	S	.	.			trans	-109.1	157.3	172.5	51.9	0	0	0	0	111.7	A34 N38	T31-A34 WeakPolarHBondContact OG1-CB 3.47Å; T31-N38 PolarHBondContact N-OD1 3.26Å; T31-N38 PolarHBondContact O-ND2 3.11Å; T31-N38 PolarHBondContact OG1-OD1 3.1Å
32	Q	93.1	Very high	96	Very high	179 Å²	179	77.2 Å²	77.2	84%	0.836	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	146.4	178.9	-62.1	-174.8	40.4	0	0	111.8	A34	Q32-A34 PolarHBondContact O-N 3.38Å
33	N	86.6	Confident	95.9	Very high	167 Å²	167	73.2 Å²	73.2	89%	0.893	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	24.8	173.7	-57.9	-32.5	0	0	0	115.8
34	A	91.2	Very high	95.8	Very high	24 Å²	24	74.9 Å²	74.9	20%	0.198	37%	0.373	C	S	.	.			trans	-125.3	40.6	-175.8	0	0	0	0	0	112.4	T31 Q32 K36 R37 N38	T31-A34 WeakPolarHBondContact OG1-CB 3.47Å; Q32-A34 PolarHBondContact O-N 3.38Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.15Å; A34-K36 VanDerWaalsContact O-N 3.17Å; A34-R37 HydrophobicContact CB-CB 4.13Å; A34-R37 WeakPolarHBondContact O-CB 3.22Å; A34-R37 PolarHBondContact O-N 3.35Å; A34-N38 WeakPolarHBondContact O-CB 3.28Å; A34-N38 VanDerWaalsContact O-CG 3.25Å; A34-N38 PolarHBondContact O-N 2.93Å; A34-N38 PolarHBondContact O-ND2 2.89Å
35	T	92.9	Very high	95.6	Very high	121 Å²	121	71.6 Å²	71.6	74%	0.742	36%	0.361	S	S	*	.	H	α-helix	trans	-49.8	-47.1	-169.4	-48.4	0	0	0	0	114	N38 A39	T35-N38 PolarHBondContact O-N 2.7Å; T35-A39 PolarHBondContact O-N 2.85Å
36	K	95.5	Very high	95.6	Very high	108 Å²	108	70.5 Å²	70.5	47%	0.47	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-46.7	178.2	-72.5	-176.5	179	178.7	0	111.9	A34 N38 A39 L56 N72	A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.15Å; A34-K36 VanDerWaalsContact O-N 3.17Å; K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 3.02Å; K36-A39 WeakPolarHBondContact O-CB 3.37Å; K36-A39 PolarHBondContact O-N 2.85Å; K36-L56 HydrophobicContact CB-CD1 4.16Å; K36-N72 HydrophobicContact CB-CB 4.08Å; K36-N72 HydrophobicContact CG-CB 4.45Å; K36-N72 WeakPolarHBondContact O-CB 3.36Å
37	R	96.9	Very high	95.6	Very high	109 Å²	109	71.4 Å²	71.4	41%	0.411	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-42.9	178.3	-169.7	179.2	-174.6	175.4	0.8	111.5	A34 A39 G40 R41 E50 L56 H73	A34-R37 HydrophobicContact CB-CB 4.13Å; A34-R37 WeakPolarHBondContact O-CB 3.22Å; A34-R37 PolarHBondContact O-N 3.35Å; R37-A39 PolarHBondContact O-N 3.31Å; R37-A39 VanDerWaalsContact O-N 3.14Å; R37-G40 PolarHBondContact O-N 3.12Å; R37-G40 VanDerWaalsContact O-N 3.15Å; R37-R41 VanDerWaalsContact CZ-NH2 3.33Å; R37-E50 VanDerWaalsContact CG-OE1 3.3Å; R37-E50 WeakPolarHBondContact CG-OE1 3.42Å; R37-E50 IonicContact CZ-OE1 3.86Å; R37-E50 IonicContact CZ-OE2 3.19Å; R37-E50 VanDerWaalsContact NE-CD 3.27Å; R37-E50 IonicContact NE-OE1 3.37Å; R37-E50 PolarHBondContact NE-OE1 3.01Å; R37-E50 IonicContact NE-OE2 3.21Å; R37-E50 PolarHBondContact NE-OE2 3.17Å; R37-E50 IonicContact NH2-OE1 2.84Å; R37-E50 PolarHBondContact NH2-OE1 2.84Å; R37-E50 IonicContact NH2-OE2 3.39Å; R37-E50 PolarHBondContact NH2-OE2 3.21Å; R37-L56 HydrophobicContact CB-CD1 4.34Å; R37-H73 PolarHBondContact O-CE1 2.77Å
38	N	97.3	Very high	95.7	Very high	21 Å²	21	67.1 Å²	67.1	11%	0.112	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-24	179.4	-71.3	-20.1	0	0	0	113.6	R30 T31 A34 T35 K36 G40 R41	R30-N38 WeakPolarHBondContact CA-OD1 3.28Å; R30-N38 HydrophobicContact CB-CB 4.36Å; R30-N38 HydrophobicContact CG-CB 4.16Å; T31-N38 PolarHBondContact N-OD1 3.26Å; T31-N38 PolarHBondContact O-ND2 3.11Å; T31-N38 PolarHBondContact OG1-OD1 3.1Å; A34-N38 WeakPolarHBondContact O-CB 3.28Å; A34-N38 VanDerWaalsContact O-CG 3.25Å; A34-N38 PolarHBondContact O-N 2.93Å; A34-N38 PolarHBondContact O-ND2 2.89Å; T35-N38 PolarHBondContact O-N 2.7Å; K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 3.02Å; N38-G40 PolarHBondContact O-N 2.74Å; N38-R41 PolarHBondContact O-N 3.08Å
39	A	96.8	Very high	95.7	Very high	30 Å²	30	64.5 Å²	64.5	25%	0.248	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.4	178.2	0	0	0	0	0	113	T35 K36 R37 R71 N72	T35-A39 PolarHBondContact O-N 2.85Å; K36-A39 WeakPolarHBondContact O-CB 3.37Å; K36-A39 PolarHBondContact O-N 2.85Å; R37-A39 PolarHBondContact O-N 3.31Å; R37-A39 VanDerWaalsContact O-N 3.14Å; A39-R71 HydrophobicContact CB-CB 4.49Å; A39-R71 WeakPolarHBondContact CB-O 3.03Å; A39-R71 WeakPolarHBondContact O-CB 3.19Å; A39-N72 HydrophobicContact CB-CB 4.26Å; A39-N72 VanDerWaalsContact CB-OD1 3.25Å; A39-N72 WeakPolarHBondContact CB-OD1 3.49Å
40	G	97.4	Very high	95.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.3	176.9	0	0	0	0	0	114	R37 N38 E50 I51 H73	R37-G40 PolarHBondContact O-N 3.12Å; R37-G40 VanDerWaalsContact O-N 3.15Å; N38-G40 PolarHBondContact O-N 2.74Å; G40-E50 WeakPolarHBondContact O-CA 3.36Å; G40-I51 WeakPolarHBondContact O-CG1 3.41Å; G40-I51 PolarHBondContact O-N 3.32Å; G40-H73 PolarHBondContact N-CE1 3.47Å
41	R	98	Very high	95.7	Very high	26 Å²	26	59.3 Å²	59.3	10%	0.098	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.9	177.7	-68.2	-172	172.1	-164	-4.2	111.5	C29 R37 N38 Y49 E50	C29-R41 HydrophobicContact CB-CB 4.18Å; C29-R41 WeakPolarHBondContact O-CD 3.41Å; C29-R41 PolarHBondContact O-NH1 3.4Å; C29-R41 VanDerWaalsContact O-NH1 3.12Å; R37-R41 VanDerWaalsContact CZ-NH2 3.33Å; N38-R41 PolarHBondContact O-N 3.08Å; R41-Y49 VanDerWaalsContact CA-O 3.28Å; R41-Y49 WeakPolarHBondContact CA-O 3.21Å; R41-E50 HydrophobicContact CG-CB 3.95Å; R41-E50 HydrophobicContact CG-CG 3.84Å; R41-E50 IonicContact CZ-OE2 3.56Å; R41-E50 IonicContact NE-OE2 2.75Å; R41-E50 PolarHBondContact NE-OE2 2.76Å; R41-E50 IonicContact NH2-OE2 3.19Å; R41-E50 PolarHBondContact NH2-OE2 2.84Å
42	A	97.7	Very high	95.8	Very high	10 Å²	10	59.3 Å²	59.3	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.5	178.1	0	0	0	0	0	112	L7 F9 S26 Y49	L7-A42 HydrophobicContact CD1-CB 4.08Å; L7-A42 HydrophobicContact CD2-CB 3.98Å; F9-A42 HydrophobicContact CE1-CB 4.38Å; F9-A42 HydrophobicContact CZ-CB 3.81Å; S26-A42 WeakPolarHBondContact OG-CA 3.25Å; A42-Y49 PolarHBondContact N-O 3.5Å; A42-Y49 VanDerWaalsContact N-O 3.1Å; A42-Y49 PolarHBondContact O-N 2.97Å
43	C	97.6	Very high	96	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.3	171.7	-170.8	0	0	0	0	109.9	C23 K25 S26	C23-C43 HydrophobicContact CB-CB 3.74Å; C23-C43 WeakPolarHBondContact CB-SG 3.32Å; C23-C43 PolarHBondContact O-SG 2.98Å; C23-C43 VanDerWaalsContact O-SG 3.37Å; C23-C43 WeakPolarHBondContact SG-CA 3.3Å; C23-C43 WeakPolarHBondContact SG-CB 3.46Å; C23-C43 CovalentContact SG-SG 2.02Å; C23-C43 PolarHBondContact SG-SG 2.92Å; K25-C43 WeakPolarHBondContact O-CB 3.34Å; S26-C43 PolarHBondContact OG-N 3.28Å; S26-C43 VanDerWaalsContact OG-N 3.08Å
44	R	95.4	Very high	96.4	Very high	46 Å²	46	52.3 Å²	52.3	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.5	174.4	172.6	178.9	179.5	168.8	-1.4	109.1	F3 S6 L7 T46 K47 Y49	F3-R44 VanDerWaalsContact O-CZ 3.28Å; F3-R44 PolarHBondContact O-NH1 2.73Å; F3-R44 PolarHBondContact O-NH2 2.82Å; F3-R44 VanDerWaalsContact O-NH2 3.14Å; S6-R44 PolarHBondContact O-NH1 3.24Å; S6-R44 PolarHBondContact OG-NH1 3.36Å; L7-R44 HydrophobicContact CD2-CB 4.14Å; R44-T46 PolarHBondContact O-N 3.29Å; R44-T46 VanDerWaalsContact O-N 3.11Å; R44-K47 PolarHBondContact N-O 3.33Å; R44-K47 CarbonylContact O-C 3.58Å; R44-K47 PolarHBondContact O-N 2.71Å; R44-Y49 HydrophobicContact CB-CD2 3.74Å; R44-Y49 HydrophobicContact CB-CE2 3.84Å; R44-Y49 HydrophobicContact CG-CE2 4.23Å
45	D	93.9	Very high	96.6	Very high	117 Å²	117	56.8 Å²	56.8	63%	0.626	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42	175	-56	-38.7	0	0	0	112.5	K47	D45-K47 PolarHBondContact O-N 3.38Å
46	T	96.5	Very high	96.9	Very high	93 Å²	93	54.7 Å²	54.7	57%	0.571	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	7.6	-176.8	72.2	0	0	0	0	116.5	N22 C23 R44	N22-T46 CarbonylContact C-O 3.59Å; N22-T46 WeakPolarHBondContact CA-O 3.47Å; C23-T46 PolarHBondContact N-O 2.85Å; C23-T46 WeakPolarHBondContact O-CA 3.45Å; R44-T46 PolarHBondContact O-N 3.29Å; R44-T46 VanDerWaalsContact O-N 3.11Å
47	K	97.5	Very high	97	Very high	61 Å²	61	49.6 Å²	49.6	27%	0.265	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.2	177.1	-63.6	-64	-172.2	176.6	0	111.1	E18 N22 C23 R44 D45 Y49	E18-K47 HydrophobicContact CG-CB 4.06Å; E18-K47 HydrophobicContact CG-CG 4.45Å; N22-K47 WeakPolarHBondContact OD1-CD 3.09Å; N22-K47 WeakPolarHBondContact OD1-CE 3.4Å; N22-K47 PolarHBondContact OD1-NZ 2.93Å; C23-K47 PolarHBondContact SG-O 2.86Å; R44-K47 PolarHBondContact N-O 3.33Å; R44-K47 CarbonylContact O-C 3.58Å; R44-K47 PolarHBondContact O-N 2.71Å; D45-K47 PolarHBondContact O-N 3.38Å; K47-Y49 HydrophobicContact CB-CD2 4.38Å; K47-Y49 HydrophobicContact CB-CE2 3.72Å; K47-Y49 WeakPolarHBondContact O-CD2 3.16Å
48	C	98.2	Very high	96.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.8	171.9	-73.8	0	0	0	0	110.5	L19 V21 C23 C29	L19-C48 HydrophobicContact CB-CB 3.96Å; L19-C48 WeakPolarHBondContact CB-O 3.46Å; L19-C48 HydrophobicContact CD1-CB 4.01Å; L19-C48 HydrophobicContact CG-CB 4.31Å; L19-C48 PolarHBondContact N-O 2.67Å; V21-C48 HydrophobicContact CB-CB 4.19Å; V21-C48 PolarHBondContact O-N 2.89Å; C23-C48 VanDerWaalsContact CB-SG 3.56Å; C29-C48 WeakPolarHBondContact CA-SG 3.13Å; C29-C48 HydrophobicContact CB-CB 3.68Å; C29-C48 WeakPolarHBondContact CB-SG 3.27Å; C29-C48 WeakPolarHBondContact SG-CA 3.45Å; C29-C48 WeakPolarHBondContact SG-CB 3.39Å; C29-C48 CovalentContact SG-SG 2.04Å; C29-C48 PolarHBondContact SG-SG 3.14Å
49	Y	98.1	Very high	96.8	Very high	13 Å²	13	49.8 Å²	49.8	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.7	172.7	-70.2	-101.7	0	0	0	110.2	A4 L7 A16 N17 E18 R41 A42 R44 K47	A4-Y49 WeakPolarHBondContact O-CE1 3.02Å; L7-Y49 HydrophobicContact CD2-CG 4.39Å; A16-Y49 HydrophobicContact CB-CD1 4.41Å; N17-Y49 CarbonylContact O-C 3.5Å; N17-Y49 WeakPolarHBondContact O-CA 3.5Å; E18-Y49 VanDerWaalsContact CA-CD1 3.46Å; E18-Y49 HydrophobicContact CB-CD1 3.94Å; E18-Y49 HydrophobicContact CB-CE1 3.45Å; E18-Y49 VanDerWaalsContact CB-CE1 3.45Å; E18-Y49 HydrophobicContact CG-CE1 3.91Å; E18-Y49 HydrophobicContact CG-CE2 4.32Å; E18-Y49 PolarHBondContact OE2-OH 3.37Å; R41-Y49 VanDerWaalsContact CA-O 3.28Å; R41-Y49 WeakPolarHBondContact CA-O 3.21Å; A42-Y49 PolarHBondContact N-O 3.5Å; A42-Y49 VanDerWaalsContact N-O 3.1Å; A42-Y49 PolarHBondContact O-N 2.97Å; R44-Y49 HydrophobicContact CB-CD2 3.74Å; R44-Y49 HydrophobicContact CB-CE2 3.84Å; R44-Y49 HydrophobicContact CG-CE2 4.23Å; K47-Y49 HydrophobicContact CB-CD2 4.38Å; K47-Y49 HydrophobicContact CB-CE2 3.72Å; K47-Y49 WeakPolarHBondContact O-CD2 3.16Å
50	E	97.6	Very high	96.8	Very high	23 Å²	23	49.5 Å²	49.5	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.5	173.8	-175	176.2	157	0	0	110	A16 N17 L19 R37 G40 R41 L52	A16-E50 CarbonylContact C-O 3.59Å; A16-E50 WeakPolarHBondContact CA-O 3.37Å; A16-E50 VanDerWaalsContact CB-O 3.32Å; A16-E50 WeakPolarHBondContact CB-O 3.43Å; N17-E50 PolarHBondContact N-O 3.35Å; N17-E50 PolarHBondContact O-N 2.72Å; L19-E50 HydrophobicContact CD1-CB 4.35Å; L19-E50 HydrophobicContact CD2-CB 4.25Å; R37-E50 VanDerWaalsContact CG-OE1 3.3Å; R37-E50 WeakPolarHBondContact CG-OE1 3.42Å; R37-E50 IonicContact CZ-OE1 3.86Å; R37-E50 IonicContact CZ-OE2 3.19Å; R37-E50 VanDerWaalsContact NE-CD 3.27Å; R37-E50 IonicContact NE-OE1 3.37Å; R37-E50 PolarHBondContact NE-OE1 3.01Å; R37-E50 IonicContact NE-OE2 3.21Å; R37-E50 PolarHBondContact NE-OE2 3.17Å; R37-E50 IonicContact NH2-OE1 2.84Å; R37-E50 PolarHBondContact NH2-OE1 2.84Å; R37-E50 IonicContact NH2-OE2 3.39Å; R37-E50 PolarHBondContact NH2-OE2 3.21Å; G40-E50 WeakPolarHBondContact O-CA 3.36Å; R41-E50 HydrophobicContact CG-CB 3.95Å; R41-E50 HydrophobicContact CG-CG 3.84Å; R41-E50 IonicContact CZ-OE2 3.56Å; R41-E50 IonicContact NE-OE2 2.75Å; R41-E50 PolarHBondContact NE-OE2 2.76Å; R41-E50 IonicContact NH2-OE2 3.19Å; R41-E50 PolarHBondContact NH2-OE2 2.84Å; E50-L52 PolarHBondContact O-N 3.12Å
51	I	97.6	Very high	96.7	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	129.8	172.1	-66.3	174.7	0	0	0	109.6	F9 V14 G40 A53 R71 H73 V75	F9-I51 HydrophobicContact CD2-CD1 3.64Å; F9-I51 HydrophobicContact CD2-CG1 3.91Å; F9-I51 HydrophobicContact CE2-CD1 3.76Å; F9-I51 HydrophobicContact CE2-CG1 3.74Å; V14-I51 HydrophobicContact CG2-CD1 4.24Å; V14-I51 HydrophobicContact CG2-CG1 3.94Å; V14-I51 HydrophobicContact CG2-CG2 4.47Å; G40-I51 WeakPolarHBondContact O-CG1 3.41Å; G40-I51 PolarHBondContact O-N 3.32Å; I51-A53 HydrophobicContact CG2-CB 4.39Å; I51-A53 PolarHBondContact O-N 2.93Å; I51-R71 HydrophobicContact CD1-CB 3.99Å; I51-H73 HydrophobicContact CB-CB 4.32Å; I51-H73 HydrophobicContact CD1-CB 4.4Å; I51-H73 HydrophobicContact CG2-CB 3.8Å; I51-V75 HydrophobicContact CG2-CG1 3.53Å
52	L	96.9	Very high	96.6	Very high	63 Å²	63	57.2 Å²	57.2	33%	0.33	32%	0.315	S	S	.	.			trans	-78.2	113.1	171.9	-177.9	59.2	0	0	0	109.4	Q15 E50	Q15-L52 HydrophobicContact CB-CB 4.39Å; Q15-L52 HydrophobicContact CG-CB 4.2Å; Q15-L52 HydrophobicContact CG-CD2 3.99Å; Q15-L52 PolarHBondContact O-N 2.89Å; E50-L52 PolarHBondContact O-N 3.12Å
53	A	96.2	Very high	96.6	Very high	31 Å²	31	57 Å²	57	26%	0.256	31%	0.313	S	S	.	.			trans	-154.9	144.2	174.7	0	0	0	0	0	111.1	I51 K55 H73 C74	I51-A53 HydrophobicContact CG2-CB 4.39Å; I51-A53 PolarHBondContact O-N 2.93Å; A53-K55 VanDerWaalsContact C-N 3.32Å; A53-H73 HydrophobicContact CB-CB 3.79Å; A53-C74 WeakPolarHBondContact CB-O 2.96Å
54	D	94.4	Very high	96.6	Very high	169 Å²	169	59.9 Å²	59.9	90%	0.904	33%	0.327	S	S	*	.	S	Bend	trans	-79.8	-16.9	179.4	-62.2	-32.5	0	0	0	113
55	K	97.3	Very high	96.6	Very high	118 Å²	118	64.7 Å²	64.7	51%	0.513	35%	0.351	S	S	.	.			trans	-142.5	137.1	-173.5	-169.1	179.1	-174.6	-175.3	0	112.4	A53 S62 C74	A53-K55 VanDerWaalsContact C-N 3.32Å; K55-S62 VanDerWaalsContact CE-O 3.23Å; K55-S62 WeakPolarHBondContact CE-O 3.41Å; K55-S62 PolarHBondContact NZ-O 2.74Å; K55-C74 HydrophobicContact CB-CB 4.27Å; K55-C74 PolarHBondContact O-N 2.04Å
56	L	97.7	Very high	96.7	Very high	76 Å²	76	61.9 Å²	61.9	40%	0.398	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-88	149	168.9	-60.5	179.5	0	0	0	111.5	K36 R37 N72 H73	K36-L56 HydrophobicContact CB-CD1 4.16Å; R37-L56 HydrophobicContact CB-CD1 4.34Å; L56-N72 CarbonylContact C-O 3.53Å; L56-N72 WeakPolarHBondContact CA-O 3.35Å; L56-N72 WeakPolarHBondContact CD2-O 3.38Å; L56-H73 WeakPolarHBondContact CD2-NE2 3.33Å
57	C	97.6	Very high	96.8	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	33%	0.326	C	S	.	.			trans	-133.3	153.4	-176.7	56.9	0	0	0	0	112.5	C63 C69 N72 H73	C57-C63 VanDerWaalsContact CB-SG 3.59Å; C57-C69 HydrophobicContact CB-CB 3.79Å; C57-C69 WeakPolarHBondContact CB-SG 2.95Å; C57-C69 WeakPolarHBondContact SG-CA 3.46Å; C57-C69 WeakPolarHBondContact SG-CB 3.23Å; C57-C69 CovalentContact SG-SG 2.02Å; C57-C69 PolarHBondContact SG-SG 2.66Å; C57-N72 PolarHBondContact N-O 2.93Å; C57-N72 VanDerWaalsContact O-CA 3.28Å; C57-N72 WeakPolarHBondContact O-CA 2.96Å; C57-N72 WeakPolarHBondContact O-CB 3.35Å; C57-N72 PolarHBondContact O-ND2 2.93Å; C57-H73 PolarHBondContact SG-N 3.09Å; C57-H73 VanDerWaalsContact SG-N 3.38Å
58	A	95.6	Very high	96.8	Very high	58 Å²	58	56.6 Å²	56.6	48%	0.479	31%	0.313	S	S	.	.	S	Bend	trans	-98.7	-33.8	165.6	0	0	0	0	0	111.3	S62	A58-S62 PolarHBondContact N-OG 3.45Å
59	T	95.3	Very high	96.7	Very high	76 Å²	76	57.3 Å²	57.3	47%	0.466	32%	0.318	S	S	.	.	S	Bend	trans	-143.9	169.8	-179.5	67.1	0	0	0	0	109.8	L61 S62 C69	T59-L61 PolarHBondContact O-N 3.24Å; T59-L61 PolarHBondContact OG1-N 2.02Å; T59-S62 PolarHBondContact N-OG 3.23Å; T59-S62 VanDerWaalsContact O-CB 3.27Å; T59-S62 WeakPolarHBondContact O-CB 3.46Å; T59-S62 PolarHBondContact O-N 2.98Å; T59-S62 PolarHBondContact O-OG 3.46Å; T59-C69 WeakPolarHBondContact O-CB 3.5Å
60	H	96.4	Very high	96.7	Very high	25 Å²	25	56.7 Å²	56.7	12%	0.116	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.6	-34.2	174.5	-67.2	-65.3	0	0	0	113.1	S62 C63 C69 D87 R94 R95	H60-S62 PolarHBondContact O-N 3.38Å; H60-S62 VanDerWaalsContact O-N 3.11Å; H60-C63 PolarHBondContact O-N 2.89Å; H60-C69 PolarHBondContact CE1-O 2.96Å; H60-C69 PolarHBondContact ND1-N 3.36Å; H60-D87 IonicContact CD2-OD2 2.9Å; H60-D87 PolarHBondContact CD2-OD2 3.2Å; H60-D87 VanDerWaalsContact CD2-OD2 3.27Å; H60-D87 IonicContact CG-OD2 3.46Å; H60-R94 PolarHBondContact NE2-O 2.97Å; H60-R95 HydrophobicContact CB-CB 4.25Å; H60-R95 HydrophobicContact CB-CG 3.71Å; H60-R95 VanDerWaalsContact O-CZ 3.26Å; H60-R95 PolarHBondContact O-NH1 3.16Å
61	L	94.8	Very high	96.6	Very high	150 Å²	150	61 Å²	61	79%	0.785	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63.8	-16	176.7	-60.7	177.1	0	0	0	114	T59 C63	T59-L61 PolarHBondContact O-N 3.24Å; T59-L61 PolarHBondContact OG1-N 2.02Å; L61-C63 VanDerWaalsContact C-N 3.27Å
62	S	96.8	Very high	96.6	Very high	37 Å²	37	63.1 Å²	63.1	26%	0.259	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-76.7	-16.4	174.9	-50.9	0	0	0	0	112.7	K55 A58 T59 H60	K55-S62 VanDerWaalsContact CE-O 3.23Å; K55-S62 WeakPolarHBondContact CE-O 3.41Å; K55-S62 PolarHBondContact NZ-O 2.74Å; A58-S62 PolarHBondContact N-OG 3.45Å; T59-S62 PolarHBondContact N-OG 3.23Å; T59-S62 VanDerWaalsContact O-CB 3.27Å; T59-S62 WeakPolarHBondContact O-CB 3.46Å; T59-S62 PolarHBondContact O-N 2.98Å; T59-S62 PolarHBondContact O-OG 3.46Å; H60-S62 PolarHBondContact O-N 3.38Å; H60-S62 VanDerWaalsContact O-N 3.11Å
63	C	97.6	Very high	96.7	Very high	7 Å²	7	60.2 Å²	60.2	5%	0.047	33%	0.328	C	S	.	.	S	Bend	trans	-104.7	151.6	-177.9	-52.8	0	0	0	0	110.7	C57 H60 L61 H67 C74 R95	C57-C63 VanDerWaalsContact CB-SG 3.59Å; H60-C63 PolarHBondContact O-N 2.89Å; L61-C63 VanDerWaalsContact C-N 3.27Å; C63-H67 HydrophobicContact CB-CB 3.82Å; C63-C74 VanDerWaalsContact CA-SG 3.52Å; C63-C74 HydrophobicContact CB-CB 3.84Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 WeakPolarHBondContact SG-CA 3.44Å; C63-C74 WeakPolarHBondContact SG-CB 3.06Å; C63-C74 CovalentContact SG-SG 2.04Å; C63-C74 PolarHBondContact SG-SG 3.14Å; C63-R95 PolarHBondContact O-NH1 2.98Å; C63-R95 VanDerWaalsContact O-NH1 3.08Å
64	D	96.8	Very high	96.8	Very high	89 Å²	89	59 Å²	59	48%	0.476	32%	0.317	S	S	.	.			trans	-65.9	-179.4	170.9	64.2	56.1	0	0	0	111.9	A66 H67 R95	D64-A66 VanDerWaalsContact C-N 3.27Å; D64-A66 PolarHBondContact O-N 3.49Å; D64-A66 WeakPolarHBondContact OD1-CA 3.23Å; D64-A66 WeakPolarHBondContact OD1-CB 3.09Å; D64-A66 PolarHBondContact OD1-N 3.29Å; D64-H67 VanDerWaalsContact CG-ND1 3.3Å; D64-H67 PolarHBondContact O-N 3.4Å; D64-H67 IonicContact OD1-CE1 3.42Å; D64-H67 IonicContact OD1-CG 3.27Å; D64-H67 PolarHBondContact OD1-N 3.39Å; D64-H67 IonicContact OD1-ND1 3.38Å; D64-H67 PolarHBondContact OD1-ND1 2.83Å; D64-H67 IonicContact OD2-CE1 2.71Å; D64-H67 IonicContact OD2-ND1 3.33Å; D64-H67 PolarHBondContact OD2-ND1 2.03Å; D64-R95 PolarHBondContact O-NH1 3.3Å
65	E	95.6	Very high	96.9	Very high	146 Å²	146	51.2 Å²	51.2	68%	0.682	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.5	-174.6	-63.3	-174.8	174.4	0	0	114.1	H67 L97	E65-H67 VanDerWaalsContact C-N 3.31Å; E65-L97 HydrophobicContact CB-CD2 3.69Å; E65-L97 HydrophobicContact CG-CD2 3.91Å
66	A	96.4	Very high	96.9	Very high	58 Å²	58	48.3 Å²	48.3	48%	0.479	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.1	178.6	0	0	0	0	0	112.9	D64 S77	D64-A66 VanDerWaalsContact C-N 3.27Å; D64-A66 PolarHBondContact O-N 3.49Å; D64-A66 WeakPolarHBondContact OD1-CA 3.23Å; D64-A66 WeakPolarHBondContact OD1-CB 3.09Å; D64-A66 PolarHBondContact OD1-N 3.29Å; A66-S77 VanDerWaalsContact C-OG 3.24Å; A66-S77 PolarHBondContact O-N 3.05Å; A66-S77 PolarHBondContact O-OG 2.73Å
67	H	97.8	Very high	96.9	Very high	43 Å²	43	45.6 Å²	45.6	20%	0.199	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.1	-170.4	-64.2	85.3	0	0	0	113.7	C63 D64 E65 C74 V75 R95	C63-H67 HydrophobicContact CB-CB 3.82Å; D64-H67 VanDerWaalsContact CG-ND1 3.3Å; D64-H67 PolarHBondContact O-N 3.4Å; D64-H67 IonicContact OD1-CE1 3.42Å; D64-H67 IonicContact OD1-CG 3.27Å; D64-H67 PolarHBondContact OD1-N 3.39Å; D64-H67 IonicContact OD1-ND1 3.38Å; D64-H67 PolarHBondContact OD1-ND1 2.83Å; D64-H67 IonicContact OD2-CE1 2.71Å; D64-H67 IonicContact OD2-ND1 3.33Å; D64-H67 PolarHBondContact OD2-ND1 2.03Å; E65-H67 VanDerWaalsContact C-N 3.31Å; H67-C74 HydrophobicContact CB-CB 4.08Å; H67-C74 PolarHBondContact CD2-O 3.04Å; H67-V75 VanDerWaalsContact CA-O 3.3Å; H67-V75 WeakPolarHBondContact CA-O 3.05Å; H67-V75 WeakPolarHBondContact CB-O 3.3Å; H67-V75 PolarHBondContact CD2-O 2.93Å; H67-R95 PolarHBondContact O-NH1 3.48Å
68	V	97.6	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.4	166.6	-63.3	0	0	0	0	110.5	L70 C74 V75 R95 P104	V68-L70 PolarHBondContact O-N 3.43Å; V68-C74 WeakPolarHBondContact O-CA 3.29Å; V68-V75 HydrophobicContact CG2-CG2 3.7Å; V68-V75 PolarHBondContact N-O 3.47Å; V68-V75 PolarHBondContact O-N 3.49Å; V68-R95 HydrophobicContact CB-CB 4.46Å; V68-R95 HydrophobicContact CG1-CB 3.61Å; V68-P104 HydrophobicContact CG2-CB 4.24Å; V68-P104 HydrophobicContact CG2-CG 3.7Å
69	C	97.5	Very high	96.9	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	102.4	173.4	-173.2	0	0	0	0	109.6	C57 T59 H60 H73	C57-C69 HydrophobicContact CB-CB 3.79Å; C57-C69 WeakPolarHBondContact CB-SG 2.95Å; C57-C69 WeakPolarHBondContact SG-CA 3.46Å; C57-C69 WeakPolarHBondContact SG-CB 3.23Å; C57-C69 CovalentContact SG-SG 2.02Å; C57-C69 PolarHBondContact SG-SG 2.66Å; T59-C69 WeakPolarHBondContact O-CB 3.5Å; H60-C69 PolarHBondContact CE1-O 2.96Å; H60-C69 PolarHBondContact ND1-N 3.36Å; C69-H73 WeakPolarHBondContact CA-O 3.24Å
70	L	97.1	Very high	96.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.5	175.4	-177.5	70.9	0	0	0	108.4	F9 D10 V14 V68 N72 H73 V75 P104	F9-L70 HydrophobicContact CB-CD2 4.17Å; F9-L70 HydrophobicContact CB-CG 4.47Å; D10-L70 HydrophobicContact CB-CD1 3.96Å; D10-L70 WeakPolarHBondContact OD2-CD1 3.48Å; V14-L70 HydrophobicContact CG1-CD2 3.6Å; V14-L70 HydrophobicContact CG2-CD2 4.27Å; V68-L70 PolarHBondContact O-N 3.43Å; L70-N72 PolarHBondContact O-N 3.23Å; L70-N72 VanDerWaalsContact O-N 3.12Å; L70-H73 PolarHBondContact N-O 3.48Å; L70-H73 PolarHBondContact O-N 3.27Å; L70-V75 HydrophobicContact CB-CG1 4.27Å; L70-V75 HydrophobicContact CB-CG2 3.64Å; L70-V75 HydrophobicContact CD2-CG2 4.13Å; L70-P104 HydrophobicContact CD1-CG 4.44Å; L70-P104 HydrophobicContact CD2-CB 4.44Å; L70-P104 HydrophobicContact CD2-CG 4.14Å
71	R	96.3	Very high	96.9	Very high	113 Å²	113	50 Å²	50	43%	0.426	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	44	177.2	-63	-68.1	170.9	162.7	0.8	113.2	F9 D10 A39 I51 H73	F9-R71 HydrophobicContact CB-CG 4.01Å; F9-R71 HydrophobicContact CD1-CG 3.83Å; F9-R71 HydrophobicContact CD2-CG 4.47Å; F9-R71 HydrophobicContact CE1-CG 4.38Å; F9-R71 HydrophobicContact CG-CG 3.87Å; D10-R71 IonicContact OD1-CZ 2.93Å; D10-R71 IonicContact OD1-NE 2.74Å; D10-R71 PolarHBondContact OD1-NE 3.11Å; D10-R71 IonicContact OD1-NH2 2.7Å; D10-R71 PolarHBondContact OD1-NH2 2.98Å; D10-R71 IonicContact OD2-NE 3.02Å; D10-R71 PolarHBondContact OD2-NE 3.02Å; A39-R71 HydrophobicContact CB-CB 4.49Å; A39-R71 WeakPolarHBondContact CB-O 3.03Å; A39-R71 WeakPolarHBondContact O-CB 3.19Å; I51-R71 HydrophobicContact CD1-CB 3.99Å; R71-H73 VanDerWaalsContact C-N 3.25Å; R71-H73 PolarHBondContact O-CE1 2.79Å; R71-H73 PolarHBondContact O-N 3.26Å; R71-H73 PolarHBondContact O-ND1 3.06Å
72	N	97.4	Very high	97	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.262	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	16	-176.4	-58.6	110	0	0	0	116.4	K36 A39 L56 C57 L70	K36-N72 HydrophobicContact CB-CB 4.08Å; K36-N72 HydrophobicContact CG-CB 4.45Å; K36-N72 WeakPolarHBondContact O-CB 3.36Å; A39-N72 HydrophobicContact CB-CB 4.26Å; A39-N72 VanDerWaalsContact CB-OD1 3.25Å; A39-N72 WeakPolarHBondContact CB-OD1 3.49Å; L56-N72 CarbonylContact C-O 3.53Å; L56-N72 WeakPolarHBondContact CA-O 3.35Å; L56-N72 WeakPolarHBondContact CD2-O 3.38Å; C57-N72 PolarHBondContact N-O 2.93Å; C57-N72 VanDerWaalsContact O-CA 3.28Å; C57-N72 WeakPolarHBondContact O-CA 2.96Å; C57-N72 WeakPolarHBondContact O-CB 3.35Å; C57-N72 PolarHBondContact O-ND2 2.93Å; L70-N72 PolarHBondContact O-N 3.23Å; L70-N72 VanDerWaalsContact O-N 3.12Å
73	H	98.1	Very high	97.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.4	175.2	-62.9	68	0	0	0	109.7	R37 G40 I51 A53 L56 C57 C69 L70 R71 V75	R37-H73 PolarHBondContact O-CE1 2.77Å; G40-H73 PolarHBondContact N-CE1 3.47Å; I51-H73 HydrophobicContact CB-CB 4.32Å; I51-H73 HydrophobicContact CD1-CB 4.4Å; I51-H73 HydrophobicContact CG2-CB 3.8Å; A53-H73 HydrophobicContact CB-CB 3.79Å; L56-H73 WeakPolarHBondContact CD2-NE2 3.33Å; C57-H73 PolarHBondContact SG-N 3.09Å; C57-H73 VanDerWaalsContact SG-N 3.38Å; C69-H73 WeakPolarHBondContact CA-O 3.24Å; L70-H73 PolarHBondContact N-O 3.48Å; L70-H73 PolarHBondContact O-N 3.27Å; R71-H73 VanDerWaalsContact C-N 3.25Å; R71-H73 PolarHBondContact O-CE1 2.79Å; R71-H73 PolarHBondContact O-N 3.26Å; R71-H73 PolarHBondContact O-ND1 3.06Å; H73-V75 HydrophobicContact CB-CG1 4.19Å; H73-V75 PolarHBondContact O-N 3.08Å; H73-V75 VanDerWaalsContact O-N 3.16Å
74	C	98.2	Very high	97.1	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	99.2	170.6	-66.5	0	0	0	0	108.4	A53 K55 C63 H67 V68	A53-C74 WeakPolarHBondContact CB-O 2.96Å; K55-C74 HydrophobicContact CB-CB 4.27Å; K55-C74 PolarHBondContact O-N 2.04Å; C63-C74 VanDerWaalsContact CA-SG 3.52Å; C63-C74 HydrophobicContact CB-CB 3.84Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 WeakPolarHBondContact SG-CA 3.44Å; C63-C74 WeakPolarHBondContact SG-CB 3.06Å; C63-C74 CovalentContact SG-SG 2.04Å; C63-C74 PolarHBondContact SG-SG 3.14Å; H67-C74 HydrophobicContact CB-CB 4.08Å; H67-C74 PolarHBondContact CD2-O 3.04Å; V68-C74 WeakPolarHBondContact O-CA 3.29Å
75	V	97.6	Very high	97.1	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.7	-179.5	-59.1	0	0	0	0	110.5	I51 H67 V68 L70 H73 P104	I51-V75 HydrophobicContact CG2-CG1 3.53Å; H67-V75 VanDerWaalsContact CA-O 3.3Å; H67-V75 WeakPolarHBondContact CA-O 3.05Å; H67-V75 WeakPolarHBondContact CB-O 3.3Å; H67-V75 PolarHBondContact CD2-O 2.93Å; V68-V75 HydrophobicContact CG2-CG2 3.7Å; V68-V75 PolarHBondContact N-O 3.47Å; V68-V75 PolarHBondContact O-N 3.49Å; L70-V75 HydrophobicContact CB-CG1 4.27Å; L70-V75 HydrophobicContact CB-CG2 3.64Å; L70-V75 HydrophobicContact CD2-CG2 4.13Å; H73-V75 HydrophobicContact CB-CG1 4.19Å; H73-V75 PolarHBondContact O-N 3.08Å; H73-V75 VanDerWaalsContact O-N 3.16Å; V75-P104 HydrophobicContact CG2-CB 3.97Å; V75-P104 HydrophobicContact CG2-CG 4.29Å
76	P	97.2	Very high	97.1	Very high	57 Å²	57	51.8 Å²	51.8	37%	0.37	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	144.6	176.8	-27.6	35.2	0	0	0	111.3	R105	P76-R105 HydrophobicContact CB-CB 4.33Å; P76-R105 PolarHBondContact O-N 3.29Å
77	S	96.8	Very high	97	Very high	19 Å²	19	52 Å²	52	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.1	-174.7	72.4	0	0	0	0	112.9	A66 R103	A66-S77 VanDerWaalsContact C-OG 3.24Å; A66-S77 PolarHBondContact O-N 3.05Å; A66-S77 PolarHBondContact O-OG 2.73Å; S77-R103 CarbonylContact C-O 3.52Å; S77-R103 WeakPolarHBondContact CA-O 3.39Å; S77-R103 WeakPolarHBondContact CB-O 3.04Å
78	V	97.1	Very high	96.8	Very high	50 Å²	50	58.2 Å²	58.2	30%	0.303	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.2	175.7	-66	0	0	0	0	110	Y102 R103 R105	V78-Y102 WeakPolarHBondContact O-CA 3.14Å; V78-R103 HydrophobicContact CG2-CG 3.84Å; V78-R103 PolarHBondContact N-O 3.31Å; V78-R103 PolarHBondContact O-N 2.85Å; V78-R105 HydrophobicContact CG1-CB 4.14Å; V78-R105 HydrophobicContact CG1-CG 3.85Å
79	A	96.9	Very high	96.7	Very high	54 Å²	54	63 Å²	63	45%	0.446	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	152.6	173	0	0	0	0	0	110.6	Y102	A79-Y102 HydrophobicContact CB-CD1 4.17Å; A79-Y102 HydrophobicContact CB-CE1 3.72Å; A79-Y102 HydrophobicContact CB-CE2 4.29Å
80	T	95.7	Very high	96.7	Very high	26 Å²	26	62.5 Å²	62.5	16%	0.16	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	173.7	174.5	73.6	0	0	0	0	108.7	M82 R94 C101 R103	T80-M82 VanDerWaalsContact C-N 3.27Å; T80-M82 PolarHBondContact OG1-N 3.18Å; T80-R94 VanDerWaalsContact CG2-NH2 3.25Å; T80-C101 VanDerWaalsContact CB-O 3.31Å; T80-C101 WeakPolarHBondContact CB-O 3.47Å; T80-C101 WeakPolarHBondContact CG2-O 3.49Å; T80-C101 PolarHBondContact N-O 3.25Å; T80-C101 WeakPolarHBondContact OG1-CB 3.42Å; T80-C101 PolarHBondContact OG1-O 2.99Å; T80-R103 HydrophobicContact CG2-CB 4.23Å; T80-R103 HydrophobicContact CG2-CG 3.86Å
81	S	95.7	Very high	96.5	Very high	123 Å²	123	64.1 Å²	64.1	86%	0.86	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	0.4	173.8	55.9	0	0	0	0	113.9
82	M	97.3	Very high	96.2	Very high	83 Å²	83	65.2 Å²	65.2	41%	0.409	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.2	-176.5	-176.7	174.2	-174.8	0	0	110.5	T80 L89 C101	T80-M82 VanDerWaalsContact C-N 3.27Å; T80-M82 PolarHBondContact OG1-N 3.18Å; M82-L89 WeakPolarHBondContact CE-O 3Å; M82-C101 HydrophobicContact CB-CB 4.13Å; M82-C101 PolarHBondContact O-N 3.46Å
83	E	97.7	Very high	95.8	Very high	152 Å²	152	63.5 Å²	63.5	71%	0.71	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.9	173.6	-63.3	-177.4	163	0	0	111.7	G99 L100	E83-G99 CarbonylContact C-O 3.47Å; E83-G99 VanDerWaalsContact CA-O 3.27Å; E83-G99 WeakPolarHBondContact CA-O 3.32Å; E83-L100 HydrophobicContact CG-CD2 4.37Å
84	C	98	Very high	95.7	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.027	37%	0.373	C	S	.	.			trans	-155.5	156.9	-179.9	60.5	0	0	0	0	112.9	L89 C90 C96 G99 L100 C101	C84-L89 HydrophobicContact CB-CB 4.3Å; C84-C90 VanDerWaalsContact SG-SG 3.65Å; C84-C96 HydrophobicContact CB-CB 3.84Å; C84-C96 WeakPolarHBondContact CB-SG 3.24Å; C84-C96 PolarHBondContact O-SG 3.12Å; C84-C96 WeakPolarHBondContact SG-CA 3.21Å; C84-C96 WeakPolarHBondContact SG-CB 3.17Å; C84-C96 CovalentContact SG-SG 2.03Å; C84-C96 PolarHBondContact SG-SG 3.26Å; C84-G99 PolarHBondContact N-O 2.96Å; C84-G99 WeakPolarHBondContact O-CA 3.49Å; C84-L100 PolarHBondContact SG-O 2.59Å; C84-L100 VanDerWaalsContact SG-O 3.37Å; C84-C101 VanDerWaalsContact CB-SG 3.52Å
85	F	96.3	Very high	95.7	Very high	199 Å²	199	66.4 Å²	66.4	87%	0.873	38%	0.375	S	S	*	.	S	Bend	trans	-114.1	1.3	170.2	-57.5	-76	0	0	0	112.6	L89	F85-L89 HydrophobicContact CB-CD1 4.29Å; F85-L89 HydrophobicContact CD2-CD1 4.39Å
86	G	95.8	Very high	95.7	Very high	29 Å²	29	67.2 Å²	67.2	30%	0.299	38%	0.38	S	S	.	.	S	Bend	trans	179.8	158.2	178.7	0	0	0	0	0	112.3	L88 L89 C96	G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 3.44Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 3.3Å; G86-L89 VanDerWaalsContact O-N 3.11Å; G86-C96 PolarHBondContact N-SG 3.11Å
87	D	94.5	Very high	95.7	Very high	62 Å²	62	66.1 Å²	66.1	33%	0.332	37%	0.371	S	S	.	.	H	α-helix	trans	-55.4	-38.6	-171.2	-64.6	-18.3	0	0	0	113.5	H60 L89 C90 C96	H60-D87 IonicContact CD2-OD2 2.9Å; H60-D87 PolarHBondContact CD2-OD2 3.2Å; H60-D87 VanDerWaalsContact CD2-OD2 3.27Å; H60-D87 IonicContact CG-OD2 3.46Å; D87-L89 PolarHBondContact O-N 2.98Å; D87-L89 VanDerWaalsContact O-N 3.12Å; D87-C90 WeakPolarHBondContact O-CB 3.2Å; D87-C90 PolarHBondContact O-N 2.75Å; D87-C96 PolarHBondContact OD1-N 2.81Å
88	L	93.5	Very high	95.6	Very high	173 Å²	173	69.2 Å²	69.2	91%	0.906	41%	0.406	S	S	*	.	H	α-helix	trans	-57.8	-29.6	-178.6	-69.1	174.9	0	0	0	113.2	G86 C90	G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 3.44Å; L88-C90 VanDerWaalsContact C-N 3.31Å
89	L	96.4	Very high	95.6	Very high	101 Å²	101	68.6 Å²	68.6	53%	0.529	41%	0.409	S	S	.	.	H	α-helix	trans	-74	-24.2	178.9	-66.2	171.8	0	0	0	112.5	M82 C84 F85 G86 D87	M82-L89 WeakPolarHBondContact CE-O 3Å; C84-L89 HydrophobicContact CB-CB 4.3Å; F85-L89 HydrophobicContact CB-CD1 4.29Å; F85-L89 HydrophobicContact CD2-CD1 4.39Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 3.3Å; G86-L89 VanDerWaalsContact O-N 3.11Å; D87-L89 PolarHBondContact O-N 2.98Å; D87-L89 VanDerWaalsContact O-N 3.12Å
90	C	96.3	Very high	95.7	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.041	40%	0.404	C	S	.	.	H	α-helix	trans	-77.9	-29.2	178.6	-59.8	0	0	0	0	112.1	C84 D87 L88 R94 C101	C84-C90 VanDerWaalsContact SG-SG 3.65Å; D87-C90 WeakPolarHBondContact O-CB 3.2Å; D87-C90 PolarHBondContact O-N 2.75Å; L88-C90 VanDerWaalsContact C-N 3.31Å; C90-R94 HydrophobicContact CB-CB 3.61Å; C90-R94 WeakPolarHBondContact O-CD 3.21Å; C90-R94 PolarHBondContact O-NH1 3.47Å; C90-C101 WeakPolarHBondContact CA-SG 3.35Å; C90-C101 HydrophobicContact CB-CB 3.71Å; C90-C101 WeakPolarHBondContact CB-SG 3.14Å; C90-C101 WeakPolarHBondContact SG-CA 3.33Å; C90-C101 WeakPolarHBondContact SG-CB 3.2Å; C90-C101 CovalentContact SG-SG 2.03Å; C90-C101 PolarHBondContact SG-SG 2.73Å
91	G	92.7	Very high	95.8	Very high	35 Å²	35	67.9 Å²	67.9	36%	0.361	40%	0.397	S	S	.	.			trans	98.8	-178.7	-175.3	0	0	0	0	0	113.2	G93 R94	G91-G93 PolarHBondContact O-N 2.74Å; G91-R94 PolarHBondContact O-N 2.03Å
92	I	90.2	Very high	95.9	Very high	136 Å²	136	64.7 Å²	64.7	70%	0.697	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	136	-171.5	-60.1	171.5	0	0	0	111.2	D10 R94	D10-I92 HydrophobicContact CB-CG2 3.95Å; I92-R94 PolarHBondContact O-N 2.98Å
93	G	89.9	Confident	95.9	Very high	12 Å²	12	64.4 Å²	64.4	12%	0.124	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	6.3	176.9	0	0	0	0	0	114.5	G91 P104	G91-G93 PolarHBondContact O-N 2.74Å; G93-P104 WeakPolarHBondContact O-CD 2.94Å
94	R	96.3	Very high	95.8	Very high	51 Å²	51	57.1 Å²	57.1	19%	0.192	33%	0.327	C	S	.	.			trans	-116.8	152.3	-175.8	-60.2	173.4	95.5	-172.3	11.2	110.4	Y12 H60 T80 C90 G91 I92 Y102 R103	Y12-R94 HydrophobicContact CE2-CG 4.48Å; Y12-R94 WeakPolarHBondContact OH-CD 3.44Å; Y12-R94 WeakPolarHBondContact OH-CG 3.01Å; Y12-R94 PolarHBondContact OH-NE 2.91Å; H60-R94 PolarHBondContact NE2-O 2.97Å; T80-R94 VanDerWaalsContact CG2-NH2 3.25Å; C90-R94 HydrophobicContact CB-CB 3.61Å; C90-R94 WeakPolarHBondContact O-CD 3.21Å; C90-R94 PolarHBondContact O-NH1 3.47Å; G91-R94 PolarHBondContact O-N 2.03Å; I92-R94 PolarHBondContact O-N 2.98Å; R94-Y102 CarbonylContact C-O 3.48Å; R94-Y102 WeakPolarHBondContact CA-O 3.37Å; R94-Y102 WeakPolarHBondContact CB-O 3.35Å; R94-R103 HydrophobicContact CG-CB 4.02Å
95	R	97.1	Very high	95.7	Very high	19 Å²	19	60.8 Å²	60.8	7%	0.072	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	-175.8	-178.1	-176.8	-174.1	162.7	0.9	110.1	H60 C63 D64 H67 V68 C101 Y102	H60-R95 HydrophobicContact CB-CB 4.25Å; H60-R95 HydrophobicContact CB-CG 3.71Å; H60-R95 VanDerWaalsContact O-CZ 3.26Å; H60-R95 PolarHBondContact O-NH1 3.16Å; C63-R95 PolarHBondContact O-NH1 2.98Å; C63-R95 VanDerWaalsContact O-NH1 3.08Å; D64-R95 PolarHBondContact O-NH1 3.3Å; H67-R95 PolarHBondContact O-NH1 3.48Å; V68-R95 HydrophobicContact CB-CB 4.46Å; V68-R95 HydrophobicContact CG1-CB 3.61Å; R95-C101 CarbonylContact O-C 3.47Å; R95-C101 WeakPolarHBondContact O-CA 3.35Å; R95-Y102 PolarHBondContact N-O 3.36Å; R95-Y102 PolarHBondContact O-N 3.35Å
96	C	97.9	Very high	95.5	Very high	20 Å²	20	55.8 Å²	55.8	14%	0.135	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.6	163.5	-170.6	0	0	0	0	109.9	C84 G86 D87	C84-C96 HydrophobicContact CB-CB 3.84Å; C84-C96 WeakPolarHBondContact CB-SG 3.24Å; C84-C96 PolarHBondContact O-SG 3.12Å; C84-C96 WeakPolarHBondContact SG-CA 3.21Å; C84-C96 WeakPolarHBondContact SG-CB 3.17Å; C84-C96 CovalentContact SG-SG 2.03Å; C84-C96 PolarHBondContact SG-SG 3.26Å; G86-C96 PolarHBondContact N-SG 3.11Å; D87-C96 PolarHBondContact OD1-N 2.81Å
97	L	97	Very high	95.3	Very high	35 Å²	35	56 Å²	56	18%	0.183	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.3	178	-177	68.5	0	0	0	109.5	E65 G99 L100 Y102	E65-L97 HydrophobicContact CB-CD2 3.69Å; E65-L97 HydrophobicContact CG-CD2 3.91Å; L97-G99 PolarHBondContact O-N 2.8Å; L97-G99 VanDerWaalsContact O-N 3.13Å; L97-L100 PolarHBondContact N-O 2.9Å; L97-L100 PolarHBondContact O-N 2.94Å; L97-L100 VanDerWaalsContact O-O 3.14Å; L97-Y102 HydrophobicContact CB-CD2 3.91Å; L97-Y102 HydrophobicContact CB-CE2 3.84Å; L97-Y102 HydrophobicContact CD2-CE2 4.4Å
98	G	95.4	Very high	94.8	Very high	84 Å²	84	55.3 Å²	55.3	87%	0.866	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	24.3	178.9	0	0	0	0	0	114.6
99	G	96.9	Very high	93.7	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	0.3	-177.6	0	0	0	0	0	115.1	E83 C84 L97	E83-G99 CarbonylContact C-O 3.47Å; E83-G99 VanDerWaalsContact CA-O 3.27Å; E83-G99 WeakPolarHBondContact CA-O 3.32Å; C84-G99 PolarHBondContact N-O 2.96Å; C84-G99 WeakPolarHBondContact O-CA 3.49Å; L97-G99 PolarHBondContact O-N 2.8Å; L97-G99 VanDerWaalsContact O-N 3.13Å
100	L	98.2	Very high	91.8	Very high	66 Å²	66	57 Å²	57	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.9	179.3	-66.6	175.5	0	0	0	112	E83 C84 L97 Y102	E83-L100 HydrophobicContact CG-CD2 4.37Å; C84-L100 PolarHBondContact SG-O 2.59Å; C84-L100 VanDerWaalsContact SG-O 3.37Å; L97-L100 PolarHBondContact N-O 2.9Å; L97-L100 PolarHBondContact O-N 2.94Å; L97-L100 VanDerWaalsContact O-O 3.14Å; L100-Y102 HydrophobicContact CB-CE2 4.23Å; L100-Y102 WeakPolarHBondContact O-CD2 3.45Å
101	C	98.2	Very high	89.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.8	173.9	-70.5	0	0	0	0	111.3	T80 M82 C84 C90 R95	T80-C101 VanDerWaalsContact CB-O 3.31Å; T80-C101 WeakPolarHBondContact CB-O 3.47Å; T80-C101 WeakPolarHBondContact CG2-O 3.49Å; T80-C101 PolarHBondContact N-O 3.25Å; T80-C101 WeakPolarHBondContact OG1-CB 3.42Å; T80-C101 PolarHBondContact OG1-O 2.99Å; M82-C101 HydrophobicContact CB-CB 4.13Å; M82-C101 PolarHBondContact O-N 3.46Å; C84-C101 VanDerWaalsContact CB-SG 3.52Å; C90-C101 WeakPolarHBondContact CA-SG 3.35Å; C90-C101 HydrophobicContact CB-CB 3.71Å; C90-C101 WeakPolarHBondContact CB-SG 3.14Å; C90-C101 WeakPolarHBondContact SG-CA 3.33Å; C90-C101 WeakPolarHBondContact SG-CB 3.2Å; C90-C101 CovalentContact SG-SG 2.03Å; C90-C101 PolarHBondContact SG-SG 2.73Å; R95-C101 CarbonylContact O-C 3.47Å; R95-C101 WeakPolarHBondContact O-CA 3.35Å
102	Y	98.2	Very high	87.3	Confident	56 Å²	56	67.8 Å²	67.8	22%	0.22	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.2	173.5	-73.6	-109.6	0	0	0	109.4	V78 A79 R94 R95 L97 L100	V78-Y102 WeakPolarHBondContact O-CA 3.14Å; A79-Y102 HydrophobicContact CB-CD1 4.17Å; A79-Y102 HydrophobicContact CB-CE1 3.72Å; A79-Y102 HydrophobicContact CB-CE2 4.29Å; R94-Y102 CarbonylContact C-O 3.48Å; R94-Y102 WeakPolarHBondContact CA-O 3.37Å; R94-Y102 WeakPolarHBondContact CB-O 3.35Å; R95-Y102 PolarHBondContact N-O 3.36Å; R95-Y102 PolarHBondContact O-N 3.35Å; L97-Y102 HydrophobicContact CB-CD2 3.91Å; L97-Y102 HydrophobicContact CB-CE2 3.84Å; L97-Y102 HydrophobicContact CD2-CE2 4.4Å; L100-Y102 HydrophobicContact CB-CE2 4.23Å; L100-Y102 WeakPolarHBondContact O-CD2 3.45Å
103	R	96.9	Very high	84.9	Confident	76 Å²	76	66.3 Å²	66.3	29%	0.287	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.9	177	67.7	-177.5	-176.9	109.6	-6.1	110.8	Y12 S77 V78 T80 R94 R105 E106	Y12-R103 HydrophobicContact CE1-CB 3.96Å; Y12-R103 HydrophobicContact CE1-CG 4.42Å; S77-R103 CarbonylContact C-O 3.52Å; S77-R103 WeakPolarHBondContact CA-O 3.39Å; S77-R103 WeakPolarHBondContact CB-O 3.04Å; V78-R103 HydrophobicContact CG2-CG 3.84Å; V78-R103 PolarHBondContact N-O 3.31Å; V78-R103 PolarHBondContact O-N 2.85Å; T80-R103 HydrophobicContact CG2-CB 4.23Å; T80-R103 HydrophobicContact CG2-CG 3.86Å; R94-R103 HydrophobicContact CG-CB 4.02Å; R103-R105 PolarHBondContact O-N 3.49Å; R103-E106 IonicContact CZ-OE1 3.69Å; R103-E106 IonicContact NH1-OE1 3.25Å; R103-E106 PolarHBondContact NH1-OE1 2.86Å
104	P	96.8	Very high	82.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	135.5	169.5	-23.6	33.4	0	0	0	110.1	Y12 V14 V68 L70 V75 G93 E106	Y12-P104 HydrophobicContact CD1-CB 4.14Å; Y12-P104 HydrophobicContact CD1-CG 4.18Å; Y12-P104 HydrophobicContact CD2-CB 4.35Å; Y12-P104 HydrophobicContact CD2-CG 3.67Å; Y12-P104 HydrophobicContact CE2-CG 4.07Å; Y12-P104 HydrophobicContact CG-CB 3.9Å; Y12-P104 HydrophobicContact CG-CG 3.73Å; V14-P104 HydrophobicContact CG1-CB 4.13Å; V68-P104 HydrophobicContact CG2-CB 4.24Å; V68-P104 HydrophobicContact CG2-CG 3.7Å; L70-P104 HydrophobicContact CD1-CG 4.44Å; L70-P104 HydrophobicContact CD2-CB 4.44Å; L70-P104 HydrophobicContact CD2-CG 4.14Å; V75-P104 HydrophobicContact CG2-CB 3.97Å; V75-P104 HydrophobicContact CG2-CG 4.29Å; G93-P104 WeakPolarHBondContact O-CD 2.94Å; P104-E106 PolarHBondContact O-N 2.82Å
105	R	95.7	Very high	79.6	Confident	81 Å²	81	80.2 Å²	80.2	31%	0.306	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.3	121.4	171.9	-167	178.7	96.8	-175.8	18	107.4	P76 V78 R103 Y107 E111	P76-R105 HydrophobicContact CB-CB 4.33Å; P76-R105 PolarHBondContact O-N 3.29Å; V78-R105 HydrophobicContact CG1-CB 4.14Å; V78-R105 HydrophobicContact CG1-CG 3.85Å; R103-R105 PolarHBondContact O-N 3.49Å; R105-Y107 PolarHBondContact O-N 3.37Å; R105-E111 WeakPolarHBondContact CD-OE1 3.35Å; R105-E111 IonicContact CZ-OE1 2.73Å; R105-E111 IonicContact CZ-OE2 3.65Å; R105-E111 IonicContact NE-OE1 2.75Å; R105-E111 PolarHBondContact NE-OE1 2.9Å; R105-E111 IonicContact NE-OE2 3.86Å; R105-E111 VanDerWaalsContact NH1-CD 3.35Å; R105-E111 IonicContact NH1-OE1 3.67Å; R105-E111 IonicContact NH1-OE2 3.88Å; R105-E111 PolarHBondContact NH1-OE2 2.03Å; R105-E111 IonicContact NH2-OE1 3.7Å; R105-E111 PolarHBondContact NH2-OE1 2.91Å; R105-E111 IonicContact NH2-OE2 3.18Å; R105-E111 PolarHBondContact NH2-OE2 2.71Å
106	E	92.1	Very high	78.8	Confident	94 Å²	94	83.3 Å²	83.3	44%	0.439	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-67.3	134.7	175.7	-73.6	-177.5	-114.6	0	0	110	Y12 C13 R103 P104 S108	Y12-E106 HydrophobicContact CD1-CG 4.32Å; C13-E106 CarbonylContact O-C 3.58Å; C13-E106 WeakPolarHBondContact O-CA 3.3Å; R103-E106 IonicContact CZ-OE1 3.69Å; R103-E106 IonicContact NH1-OE1 3.25Å; R103-E106 PolarHBondContact NH1-OE1 2.86Å; P104-E106 PolarHBondContact O-N 2.82Å; E106-S108 PolarHBondContact O-N 3.13Å
107	Y	91.4	Very high	77.8	Confident	34 Å²	34	86.6 Å²	86.6	13%	0.133	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-69.4	119	-177.7	-175.8	-110.8	0	0	0	110.5	F3 D5 C13 Q15 R105 K109	F3-Y107 HydrophobicContact CB-CD1 3.85Å; F3-Y107 HydrophobicContact CB-CE1 3.77Å; F3-Y107 AromaticContact CD2-CD1 3.73Å; F3-Y107 HydrophobicContact CD2-CD1 3.73Å; F3-Y107 HydrophobicContact CD2-CE1 4.13Å; F3-Y107 WeakPolarHBondContact CD2-O 3.36Å; F3-Y107 VanDerWaalsContact CE2-O 3.24Å; F3-Y107 WeakPolarHBondContact CE2-O 3.34Å; F3-Y107 HydrophobicContact CG-CD1 4.04Å; F3-Y107 HydrophobicContact CG-CE1 4.03Å; D5-Y107 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y107 WeakPolarHBondContact OD1-CE1 3.27Å; D5-Y107 PolarHBondContact OD2-OH 3.05Å; D5-Y107 VanDerWaalsContact OD2-OH 3.05Å; C13-Y107 WeakPolarHBondContact O-CB 3.31Å; C13-Y107 PolarHBondContact O-N 3.15Å; Q15-Y107 HydrophobicContact CB-CD2 3.57Å; Q15-Y107 HydrophobicContact CB-CE2 3.89Å; Q15-Y107 HydrophobicContact CB-CG 4.2Å; Q15-Y107 HydrophobicContact CG-CD2 3.82Å; Q15-Y107 HydrophobicContact CG-CE2 3.57Å; R105-Y107 PolarHBondContact O-N 3.37Å; Y107-K109 HydrophobicContact CE1-CG 4.3Å
108	S	84.2	Confident	76.7	Confident	47 Å²	47	89.4 Å²	89.4	33%	0.329	48%	0.478	S	S	.	.			trans	-130.9	142.6	169	64.5	0	0	0	0	108.1	E106 Q110	E106-S108 PolarHBondContact O-N 3.13Å; S108-Q110 PolarHBondContact O-N 3.31Å
109	K	68.7	Low	75.6	Confident	140 Å²	140	89.8 Å²	89.8	61%	0.609	46%	0.455	S	S	*	.	S	Bend	trans	-70.8	10.1	178.8	-72.9	-169.7	173	-170.1	0	114.1	F3 Y107	F3-K109 HydrophobicContact CD1-CD 4.03Å; F3-K109 HydrophobicContact CD1-CG 3.95Å; F3-K109 HydrophobicContact CE1-CB 4.45Å; F3-K109 HydrophobicContact CE1-CD 4.24Å; F3-K109 HydrophobicContact CE1-CG 4.01Å; F3-K109 HydrophobicContact CG-CG 4.46Å; Y107-K109 HydrophobicContact CE1-CG 4.3Å
110	Q	56.8	Low	74.3	Confident	168 Å²	168	93.1 Å²	93.1	79%	0.785	46%	0.46	S	S	*	.			trans	-117	58.4	-167	-154.7	170.3	6.3	0	0	110.9	S108	S108-Q110 PolarHBondContact O-N 3.31Å
111	E	52.3	Low	72.7	Confident	107 Å²	107	94.9 Å²	94.9	50%	0.5	47%	0.468	S	S	.	.			trans	-143.4	26	170.9	-79.7	-158.7	-144.5	0	0	114.4	R105 V113	R105-E111 WeakPolarHBondContact CD-OE1 3.35Å; R105-E111 IonicContact CZ-OE1 2.73Å; R105-E111 IonicContact CZ-OE2 3.65Å; R105-E111 IonicContact NE-OE1 2.75Å; R105-E111 PolarHBondContact NE-OE1 2.9Å; R105-E111 IonicContact NE-OE2 3.86Å; R105-E111 VanDerWaalsContact NH1-CD 3.35Å; R105-E111 IonicContact NH1-OE1 3.67Å; R105-E111 IonicContact NH1-OE2 3.88Å; R105-E111 PolarHBondContact NH1-OE2 2.03Å; R105-E111 IonicContact NH2-OE1 3.7Å; R105-E111 PolarHBondContact NH2-OE1 2.91Å; R105-E111 IonicContact NH2-OE2 3.18Å; R105-E111 PolarHBondContact NH2-OE2 2.71Å; E111-V113 VanDerWaalsContact C-N 3.33Å
112	D	43.8	Very low	70.8	Confident	161 Å²	161	101.7 Å²	101.7	86%	0.861	50%	0.501	S	S	*	.			trans	-98.2	51.8	161.6	-84.1	-37.9	0	0	0	110.8
113	V	39.3	Very low	68.7	Low	106 Å²	106	105.2 Å²	105.2	64%	0.642	52%	0.523	S	S	*	.			trans	-132	63.5	165.5	-161.7	0	0	0	0	109.8	E111 H115	E111-V113 VanDerWaalsContact C-N 3.33Å; V113-H115 WeakPolarHBondContact CG1-CE1 3.31Å; V113-H115 VanDerWaalsContact CG1-ND1 3.31Å; V113-H115 WeakPolarHBondContact CG1-ND1 3.27Å; V113-H115 PolarHBondContact O-N 3.32Å
114	S	41.6	Very low	66.4	Low	114 Å²	114	107.7 Å²	107.7	80%	0.797	54%	0.543	S	S	*	.			trans	-71.6	102.9	151.3	44.7	0	0	0	0	107.8
115	H	33.9	Very low	63.6	Low	240 Å²	240	117.5 Å²	117.5	100%	1.111	59%	0.592	S	S	*	*			trans	-74.8	0	160.6	-77.1	91.2	0	0	0	109.5	V113	V113-H115 WeakPolarHBondContact CG1-CE1 3.31Å; V113-H115 VanDerWaalsContact CG1-ND1 3.31Å; V113-H115 WeakPolarHBondContact CG1-ND1 3.27Å; V113-H115 PolarHBondContact O-N 3.32Å

Retrieved 115 of 115 residues in 82.1 ms (Link to these results)

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