A0A077Z4U1_TRITR Loading...

Peptidase M48 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4U1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 aa.

						>A0A077Z4U1_TRITR|A0A077Z4U1
MKKYAQASLSFYSCLKLVPYSQFVTTIYPAFIAPLFDEHTLLPKGELKREIEKLSAQIWFRRLNHCFSGFKRSSHSNAYLYGIWNNKRIVLYDTLLAKYKANEKASKDEKGEK
					

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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	62.1	Low	73.4	Confident	209 Å²	209	129 Å²	129	100%	1.03	65%	0.651	S	S	*	*				0	-45.9	0	-61.9	-150.4	-111.9	0	0	114.2	K3 Y4 A5	M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.44Å; M1-Y4 PolarHBondContact O-N 3Å; M1-A5 PolarHBondContact O-N 3.12Å
2	K	69.6	Low	74.4	Confident	195 Å²	195	130 Å²	130	85%	0.848	64%	0.643	S	S	*	*	H	α-helix	trans	-54.3	-36.1	-179.8	-65.5	-176.1	177.6	-178.7	0	115.4	Y4 A5 Q6	K2-Y4 PolarHBondContact O-N 2.66Å; K2-A5 PolarHBondContact O-N 3.31Å; K2-Q6 PolarHBondContact O-N 3.32Å
3	K	66.1	Low	75.3	Confident	186 Å²	186	124.7 Å²	124.7	81%	0.809	63%	0.626	S	S	*	*	H	α-helix	trans	-62.7	-38.5	178.8	-68.7	-171.7	177.4	-177.8	0	113.7	M1 A7	M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.44Å; K3-A7 WeakPolarHBondContact O-CB 3.27Å; K3-A7 PolarHBondContact O-N 3.05Å
4	Y	67.3	Low	76.2	Confident	195 Å²	195	121.1 Å²	121.1	77%	0.765	62%	0.617	S	S	*	*	H	α-helix	trans	-73.2	-36.9	179.3	-69.6	-80	0	0	0	112.3	M1 K2 A7 S8	M1-Y4 PolarHBondContact O-N 3Å; K2-Y4 PolarHBondContact O-N 2.66Å; Y4-A7 PolarHBondContact O-N 3.03Å; Y4-S8 PolarHBondContact O-N 3.33Å; Y4-S8 PolarHBondContact O-OG 3.39Å
5	A	71.7	Confident	77.1	Confident	61 Å²	61	120.2 Å²	120.2	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-66.3	-38.7	174.1	0	0	0	0	0	112.4	M1 K2 S8 L9	M1-A5 PolarHBondContact O-N 3.12Å; K2-A5 PolarHBondContact O-N 3.31Å; A5-S8 PolarHBondContact O-OG 2.93Å; A5-S8 VanDerWaalsContact O-OG 3.07Å; A5-L9 WeakPolarHBondContact O-CB 3.35Å; A5-L9 PolarHBondContact O-N 3.25Å; A5-L9 VanDerWaalsContact O-N 3.08Å
6	Q	71.4	Confident	77.7	Confident	130 Å²	130	122.4 Å²	122.4	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-63.3	-43.4	172.5	-168.8	83.6	-11.5	0	0	111.1	K2 L9 S10	K2-Q6 PolarHBondContact O-N 3.32Å; Q6-L9 PolarHBondContact O-N 3.14Å; Q6-S10 WeakPolarHBondContact O-CB 3.18Å; Q6-S10 PolarHBondContact O-N 3.25Å; Q6-S10 PolarHBondContact O-OG 3.31Å; Q6-S10 VanDerWaalsContact O-OG 3.05Å
7	A	74.7	Confident	78.5	Confident	59 Å²	59	121.3 Å²	121.3	49%	0.488	61%	0.613	S	S	.	*	H	α-helix	trans	-65.7	-42	-179.8	0	0	0	0	0	112.6	K3 Y4 S10 F11	K3-A7 WeakPolarHBondContact O-CB 3.27Å; K3-A7 PolarHBondContact O-N 3.05Å; Y4-A7 PolarHBondContact O-N 3.03Å; A7-S10 PolarHBondContact O-N 3.36Å; A7-F11 WeakPolarHBondContact O-CB 3.28Å; A7-F11 PolarHBondContact O-N 3.42Å
8	S	78.1	Confident	79.2	Confident	56 Å²	56	118.9 Å²	118.9	39%	0.392	61%	0.606	S	S	.	*	H	α-helix	trans	-66.4	-43.4	176.2	64.3	0	0	0	0	111.6	Y4 A5 S10 F11 Y12	Y4-S8 PolarHBondContact O-N 3.33Å; Y4-S8 PolarHBondContact O-OG 3.39Å; A5-S8 PolarHBondContact O-OG 2.93Å; A5-S8 VanDerWaalsContact O-OG 3.07Å; S8-S10 PolarHBondContact O-N 3.03Å; S8-F11 PolarHBondContact O-N 3.45Å; S8-Y12 WeakPolarHBondContact O-CD2 3.47Å; S8-Y12 PolarHBondContact O-N 3.11Å
9	L	81.2	Confident	79.8	Confident	116 Å²	116	116.8 Å²	116.8	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-60.3	-44.8	176.1	-174.2	66.2	0	0	0	112	A5 Q6 F11 Y12 S13	A5-L9 WeakPolarHBondContact O-CB 3.35Å; A5-L9 PolarHBondContact O-N 3.25Å; A5-L9 VanDerWaalsContact O-N 3.08Å; Q6-L9 PolarHBondContact O-N 3.14Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.17Å; L9-Y12 PolarHBondContact O-N 3.17Å; L9-S13 WeakPolarHBondContact O-CB 3.36Å; L9-S13 PolarHBondContact O-N 3.3Å
10	S	79.7	Confident	80.4	Confident	70 Å²	70	118.5 Å²	118.5	49%	0.49	60%	0.6	S	S	.	*	H	α-helix	trans	-61.2	-40.3	175.5	-66.8	0	0	0	0	112.1	Q6 A7 S8 S13 C14	Q6-S10 WeakPolarHBondContact O-CB 3.18Å; Q6-S10 PolarHBondContact O-N 3.25Å; Q6-S10 PolarHBondContact O-OG 3.31Å; Q6-S10 VanDerWaalsContact O-OG 3.05Å; A7-S10 PolarHBondContact O-N 3.36Å; S8-S10 PolarHBondContact O-N 3.03Å; S10-S13 PolarHBondContact O-N 2.99Å; S10-C14 WeakPolarHBondContact O-CB 3.32Å; S10-C14 PolarHBondContact O-N 3.12Å
11	F	85.6	Confident	80.8	Confident	142 Å²	142	115.3 Å²	115.3	62%	0.623	59%	0.589	S	S	*	*	H	α-helix	trans	-65.1	-46.9	176.8	-174.2	-96.3	0	0	0	112.1	A7 S8 L9 S13 C14 L15	A7-F11 WeakPolarHBondContact O-CB 3.28Å; A7-F11 PolarHBondContact O-N 3.42Å; S8-F11 PolarHBondContact O-N 3.45Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.17Å; F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 3.23Å; F11-C14 PolarHBondContact O-N 2.96Å; F11-L15 WeakPolarHBondContact O-CB 3.49Å; F11-L15 PolarHBondContact O-N 3.31Å
12	Y	85.5	Confident	82	Confident	141 Å²	141	110.3 Å²	110.3	55%	0.553	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-35.5	175.2	-72.2	-63.9	0	0	0	112.5	S8 L9 K16	S8-Y12 WeakPolarHBondContact O-CD2 3.47Å; S8-Y12 PolarHBondContact O-N 3.11Å; L9-Y12 PolarHBondContact O-N 3.17Å; Y12-K16 WeakPolarHBondContact O-CG 3.46Å; Y12-K16 PolarHBondContact O-N 2.98Å
13	S	86.4	Confident	83	Confident	61 Å²	61	107.3 Å²	107.3	43%	0.427	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-48.3	174	-172.8	0	0	0	0	111.4	L9 S10 F11 L15 K16 L17	L9-S13 WeakPolarHBondContact O-CB 3.36Å; L9-S13 PolarHBondContact O-N 3.3Å; S10-S13 PolarHBondContact O-N 2.99Å; F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 3.23Å; S13-L15 VanDerWaalsContact C-N 3.33Å; S13-L15 PolarHBondContact O-N 3.3Å; S13-K16 PolarHBondContact O-N 3.02Å; S13-K16 VanDerWaalsContact O-N 3.11Å; S13-L17 WeakPolarHBondContact O-CG 3.43Å; S13-L17 PolarHBondContact O-N 3.29Å
14	C	86.7	Confident	84.1	Confident	74 Å²	74	101.2 Å²	101.2	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-58.3	-45.2	176.9	-173.1	0	0	0	0	111.7	S10 F11 K16 L17 V18	S10-C14 WeakPolarHBondContact O-CB 3.32Å; S10-C14 PolarHBondContact O-N 3.12Å; F11-C14 PolarHBondContact O-N 2.96Å; C14-K16 PolarHBondContact O-N 3.29Å; C14-L17 PolarHBondContact O-N 2.82Å; C14-L17 VanDerWaalsContact O-N 3.14Å; C14-V18 WeakPolarHBondContact O-CG2 3.43Å; C14-V18 PolarHBondContact O-N 2.96Å; C14-V18 VanDerWaalsContact O-N 3.11Å
15	L	90	Very high	85	Confident	108 Å²	108	96.3 Å²	96.3	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-61.6	-28.7	178.7	-172.9	63.2	0	0	0	113	F11 S13 P19	F11-L15 WeakPolarHBondContact O-CB 3.49Å; F11-L15 PolarHBondContact O-N 3.31Å; S13-L15 VanDerWaalsContact C-N 3.33Å; S13-L15 PolarHBondContact O-N 3.3Å; L15-P19 WeakPolarHBondContact O-CD 3.49Å; L15-P19 VanDerWaalsContact O-CG 3.31Å; L15-P19 WeakPolarHBondContact O-CG 3.29Å
16	K	87.7	Confident	85.6	Confident	156 Å²	156	95.7 Å²	95.7	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-80.5	-37.2	174.4	-69.5	172.8	-173.9	-179.2	0	112.6	Y12 S13 C14 P19 Y20	Y12-K16 WeakPolarHBondContact O-CG 3.46Å; Y12-K16 PolarHBondContact O-N 2.98Å; S13-K16 PolarHBondContact O-N 3.02Å; S13-K16 VanDerWaalsContact O-N 3.11Å; C14-K16 PolarHBondContact O-N 3.29Å; K16-P19 WeakPolarHBondContact O-CD 3.42Å; K16-P19 WeakPolarHBondContact O-CG 3.29Å; K16-Y20 WeakPolarHBondContact O-CB 3.35Å; K16-Y20 PolarHBondContact O-N 3.11Å
17	L	90.8	Very high	86.3	Confident	103 Å²	103	91.8 Å²	91.8	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-71.6	-35.8	-176.7	-70.8	172	0	0	0	113	S13 C14 Y20 S21	S13-L17 WeakPolarHBondContact O-CG 3.43Å; S13-L17 PolarHBondContact O-N 3.29Å; C14-L17 PolarHBondContact O-N 2.82Å; C14-L17 VanDerWaalsContact O-N 3.14Å; L17-Y20 PolarHBondContact O-N 3.44Å; L17-S21 PolarHBondContact O-N 2.89Å
18	V	91.2	Very high	86.8	Confident	79 Å²	79	95.1 Å²	95.1	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-54.7	179.4	172.4	0	0	0	0	113.3	C14 Y20 S21 Q22	C14-V18 WeakPolarHBondContact O-CG2 3.43Å; C14-V18 PolarHBondContact O-N 2.96Å; C14-V18 VanDerWaalsContact O-N 3.11Å; V18-Y20 VanDerWaalsContact C-N 3.28Å; V18-Y20 PolarHBondContact O-N 3.42Å; V18-S21 PolarHBondContact O-N 3.19Å; V18-S21 PolarHBondContact O-OG 3.17Å; V18-Q22 WeakPolarHBondContact O-CG 3.48Å; V18-Q22 PolarHBondContact O-N 3.46Å; V18-Q22 VanDerWaalsContact O-N 3.16Å
19	P	90.3	Very high	87	Confident	78 Å²	78	92.8 Å²	92.8	51%	0.506	48%	0.476	S	S	.	.	H	α-helix	trans	-65.3	-33.7	177.7	25.4	-33.6	0	0	0	111.9	L15 K16 Q22 F23	L15-P19 WeakPolarHBondContact O-CD 3.49Å; L15-P19 VanDerWaalsContact O-CG 3.31Å; L15-P19 WeakPolarHBondContact O-CG 3.29Å; K16-P19 WeakPolarHBondContact O-CD 3.42Å; K16-P19 WeakPolarHBondContact O-CG 3.29Å; P19-Q22 PolarHBondContact O-N 3.15Å; P19-F23 WeakPolarHBondContact O-CB 3.45Å; P19-F23 PolarHBondContact O-N 3.31Å
20	Y	91.4	Very high	87	Confident	150 Å²	150	88.9 Å²	88.9	59%	0.588	46%	0.46	S	S	*	.	H	α-helix	trans	-61.3	-45.5	174.8	177.2	-101.6	0	0	0	112	K16 L17 V18 Q22 F23 V24	K16-Y20 WeakPolarHBondContact O-CB 3.35Å; K16-Y20 PolarHBondContact O-N 3.11Å; L17-Y20 PolarHBondContact O-N 3.44Å; V18-Y20 VanDerWaalsContact C-N 3.28Å; V18-Y20 PolarHBondContact O-N 3.42Å; Y20-Q22 PolarHBondContact O-N 2.99Å; Y20-F23 WeakPolarHBondContact O-CB 3.38Å; Y20-F23 PolarHBondContact O-N 2.86Å; Y20-V24 HydrophobicContact CD1-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 4.01Å; Y20-V24 HydrophobicContact CE2-CG2 4.09Å; Y20-V24 WeakPolarHBondContact O-CG2 3.26Å; Y20-V24 PolarHBondContact O-N 3.41Å
21	S	89.9	Confident	87.1	Confident	52 Å²	52	92.9 Å²	92.9	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-66.6	-37.7	179	72.3	0	0	0	0	112.4	L17 V18 F23 T25	L17-S21 PolarHBondContact O-N 2.89Å; V18-S21 PolarHBondContact O-N 3.19Å; V18-S21 PolarHBondContact O-OG 3.17Å; S21-F23 VanDerWaalsContact C-N 3.34Å; S21-T25 WeakPolarHBondContact O-CB 3.34Å; S21-T25 PolarHBondContact O-N 3.26Å; S21-T25 PolarHBondContact O-OG1 3.34Å
22	Q	87.1	Confident	87.1	Confident	104 Å²	104	89.5 Å²	89.5	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-39.5	174.6	-64.9	-56.9	-37.4	0	0	111.9	V18 P19 Y20 T25 T26	V18-Q22 WeakPolarHBondContact O-CG 3.48Å; V18-Q22 PolarHBondContact O-N 3.46Å; V18-Q22 VanDerWaalsContact O-N 3.16Å; P19-Q22 PolarHBondContact O-N 3.15Å; Y20-Q22 PolarHBondContact O-N 2.99Å; Q22-T25 PolarHBondContact O-N 3.44Å; Q22-T26 WeakPolarHBondContact O-CB 3.38Å; Q22-T26 PolarHBondContact O-N 2.91Å; Q22-T26 VanDerWaalsContact O-N 3.1Å; Q22-T26 PolarHBondContact O-OG1 3.3Å
23	F	89.6	Confident	87	Confident	132 Å²	132	83 Å²	83	58%	0.579	43%	0.432	S	S	*	.	H	α-helix	trans	-62.3	-51.8	176.2	-176.9	-100.2	0	0	0	111.5	P19 Y20 S21 T25 T26 I27	P19-F23 WeakPolarHBondContact O-CB 3.45Å; P19-F23 PolarHBondContact O-N 3.31Å; Y20-F23 WeakPolarHBondContact O-CB 3.38Å; Y20-F23 PolarHBondContact O-N 2.86Å; S21-F23 VanDerWaalsContact C-N 3.34Å; F23-T25 VanDerWaalsContact C-N 3.35Å; F23-T25 PolarHBondContact O-N 3.21Å; F23-T26 PolarHBondContact O-N 2.78Å; F23-T26 VanDerWaalsContact O-N 3.17Å; F23-I27 HydrophobicContact CD1-CD1 3.65Å; F23-I27 HydrophobicContact CD2-CD1 3.54Å; F23-I27 HydrophobicContact CE1-CD1 3.24Å; F23-I27 HydrophobicContact CE2-CD1 3.13Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 3.8Å; F23-I27 HydrophobicContact CZ-CD1 2.98Å; F23-I27 HydrophobicContact CZ-CG1 4.47Å; F23-I27 WeakPolarHBondContact O-CB 2.9Å; F23-I27 PolarHBondContact O-N 3.33Å
24	V	89.6	Confident	86.6	Confident	59 Å²	59	82.8 Å²	82.8	36%	0.358	43%	0.43	S	S	.	.	H	α-helix	trans	-58.9	-45.6	177.3	174.5	0	0	0	0	111.2	Y20 T26 I27 Y28	Y20-V24 HydrophobicContact CD1-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 4.01Å; Y20-V24 HydrophobicContact CE2-CG2 4.09Å; Y20-V24 WeakPolarHBondContact O-CG2 3.26Å; Y20-V24 PolarHBondContact O-N 3.41Å; V24-T26 PolarHBondContact O-N 3.09Å; V24-I27 PolarHBondContact O-N 2.96Å; V24-Y28 WeakPolarHBondContact O-CB 3.01Å; V24-Y28 PolarHBondContact O-N 3.39Å
25	T	85.9	Confident	86.4	Confident	92 Å²	92	86 Å²	86	56%	0.564	44%	0.441	S	S	*	.	H	α-helix	trans	-61.6	-30.2	179.7	-56.2	0	0	0	0	112.7	S21 Q22 F23 P29	S21-T25 WeakPolarHBondContact O-CB 3.34Å; S21-T25 PolarHBondContact O-N 3.26Å; S21-T25 PolarHBondContact O-OG1 3.34Å; Q22-T25 PolarHBondContact O-N 3.44Å; F23-T25 VanDerWaalsContact C-N 3.35Å; F23-T25 PolarHBondContact O-N 3.21Å; T25-P29 WeakPolarHBondContact O-CD 3.33Å; T25-P29 VanDerWaalsContact O-CG 3.29Å; T25-P29 WeakPolarHBondContact O-CG 3.14Å
26	T	84.3	Confident	86	Confident	47 Å²	47	86.5 Å²	86.5	29%	0.288	44%	0.439	S	S	.	.	H	α-helix	trans	-83.9	-40.6	178.9	-54.1	0	0	0	0	112.2	Q22 F23 V24 A30 I83	Q22-T26 WeakPolarHBondContact O-CB 3.38Å; Q22-T26 PolarHBondContact O-N 2.91Å; Q22-T26 VanDerWaalsContact O-N 3.1Å; Q22-T26 PolarHBondContact O-OG1 3.3Å; F23-T26 PolarHBondContact O-N 2.78Å; F23-T26 VanDerWaalsContact O-N 3.17Å; V24-T26 PolarHBondContact O-N 3.09Å; T26-A30 WeakPolarHBondContact O-CB 3.21Å; T26-I83 HydrophobicContact CG2-CD1 4.19Å; T26-I83 HydrophobicContact CG2-CG1 4.39Å; T26-I83 WeakPolarHBondContact OG1-CD1 3.46Å
27	I	86.4	Confident	85.5	Confident	48 Å²	48	79.7 Å²	79.7	25%	0.246	41%	0.41	C	S	.	.	H	α-helix	trans	-81.9	-38.7	-173.5	-76.6	169.8	0	0	0	112.5	F23 V24 A30 F31	F23-I27 HydrophobicContact CD1-CD1 3.65Å; F23-I27 HydrophobicContact CD2-CD1 3.54Å; F23-I27 HydrophobicContact CE1-CD1 3.24Å; F23-I27 HydrophobicContact CE2-CD1 3.13Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 3.8Å; F23-I27 HydrophobicContact CZ-CD1 2.98Å; F23-I27 HydrophobicContact CZ-CG1 4.47Å; F23-I27 WeakPolarHBondContact O-CB 2.9Å; F23-I27 PolarHBondContact O-N 3.33Å; V24-I27 PolarHBondContact O-N 2.96Å; I27-A30 PolarHBondContact O-N 3.42Å; I27-A30 VanDerWaalsContact O-N 3.11Å; I27-F31 HydrophobicContact CB-CD2 4.42Å; I27-F31 HydrophobicContact CG1-CD2 4.39Å; I27-F31 HydrophobicContact CG2-CB 4.47Å; I27-F31 HydrophobicContact CG2-CD2 3.96Å; I27-F31 PolarHBondContact O-N 3.04Å
28	Y	86.6	Confident	84.7	Confident	129 Å²	129	81.5 Å²	81.5	51%	0.506	42%	0.415	S	S	.	.	I	π-helix	trans	-51.5	-56.6	-179.6	177.3	-89.4	0	0	0	112.4	V24 A30 I32 A33	V24-Y28 WeakPolarHBondContact O-CB 3.01Å; V24-Y28 PolarHBondContact O-N 3.39Å; Y28-A30 VanDerWaalsContact C-N 3.27Å; Y28-A30 PolarHBondContact O-N 3.14Å; Y28-I32 HydrophobicContact CD2-CB 4.07Å; Y28-I32 HydrophobicContact CD2-CD1 3.95Å; Y28-I32 HydrophobicContact CD2-CG2 4.07Å; Y28-I32 HydrophobicContact CE2-CB 4.41Å; Y28-I32 HydrophobicContact CE2-CG2 3.97Å; Y28-I32 WeakPolarHBondContact O-CA 3.25Å; Y28-I32 VanDerWaalsContact O-CB 3.29Å; Y28-I32 WeakPolarHBondContact O-CB 3.39Å; Y28-I32 PolarHBondContact O-N 3.09Å; Y28-A33 PolarHBondContact O-N 2.94Å
29	P	81.6	Confident	83.9	Confident	8 Å²	8	79.7 Å²	79.7	5%	0.052	40%	0.402	C	S	.	.	I	π-helix	trans	-73.7	-18.8	-179	31.7	-37.5	0	0	0	113.5	T25 Y81	T25-P29 WeakPolarHBondContact O-CD 3.33Å; T25-P29 VanDerWaalsContact O-CG 3.29Å; T25-P29 WeakPolarHBondContact O-CG 3.14Å; P29-Y81 HydrophobicContact CB-CD1 3.72Å; P29-Y81 HydrophobicContact CB-CD2 3.51Å; P29-Y81 HydrophobicContact CB-CE1 3.87Å; P29-Y81 HydrophobicContact CB-CE2 3.72Å; P29-Y81 HydrophobicContact CB-CG 3.49Å; P29-Y81 VanDerWaalsContact CB-CG 3.49Å; P29-Y81 HydrophobicContact CG-CD1 4.32Å; P29-Y81 HydrophobicContact CG-CD2 3.35Å; P29-Y81 HydrophobicContact CG-CE2 3.91Å; P29-Y81 HydrophobicContact CG-CG 3.58Å; P29-Y81 PolarHBondContact O-OH 3.48Å
30	A	80.3	Confident	83.2	Confident	33 Å²	33	78.8 Å²	78.8	27%	0.273	40%	0.395	S	S	.	.	I	π-helix	trans	-85.7	-34.5	-177.4	0	0	0	0	0	113.8	T26 I27 Y28 P34	T26-A30 WeakPolarHBondContact O-CB 3.21Å; I27-A30 PolarHBondContact O-N 3.42Å; I27-A30 VanDerWaalsContact O-N 3.11Å; Y28-A30 VanDerWaalsContact C-N 3.27Å; Y28-A30 PolarHBondContact O-N 3.14Å; A30-P34 WeakPolarHBondContact O-CG 3.22Å
31	F	82.7	Confident	82.6	Confident	155 Å²	155	77.7 Å²	77.7	68%	0.68	40%	0.398	S	S	*	.	I	π-helix	trans	-121.6	-36.8	-174	-67.8	-84.8	0	0	0	113.5	I27	I27-F31 HydrophobicContact CB-CD2 4.42Å; I27-F31 HydrophobicContact CG1-CD2 4.39Å; I27-F31 HydrophobicContact CG2-CB 4.47Å; I27-F31 HydrophobicContact CG2-CD2 3.96Å; I27-F31 PolarHBondContact O-N 3.04Å
32	I	85.2	Confident	82.1	Confident	70 Å²	70	75.7 Å²	75.7	36%	0.359	38%	0.384	S	S	.	.	I	π-helix	trans	-86.2	-46.2	-174.5	-57	176.9	0	0	0	110.3	Y28 L35 F36	Y28-I32 HydrophobicContact CD2-CB 4.07Å; Y28-I32 HydrophobicContact CD2-CD1 3.95Å; Y28-I32 HydrophobicContact CD2-CG2 4.07Å; Y28-I32 HydrophobicContact CE2-CB 4.41Å; Y28-I32 HydrophobicContact CE2-CG2 3.97Å; Y28-I32 WeakPolarHBondContact O-CA 3.25Å; Y28-I32 VanDerWaalsContact O-CB 3.29Å; Y28-I32 WeakPolarHBondContact O-CB 3.39Å; Y28-I32 PolarHBondContact O-N 3.09Å; I32-L35 VanDerWaalsContact O-CB 3.29Å; I32-L35 WeakPolarHBondContact O-CB 3.2Å; I32-L35 PolarHBondContact O-N 3.25Å; I32-L35 VanDerWaalsContact O-N 3.09Å; I32-F36 HydrophobicContact CG2-CD2 4.05Å; I32-F36 HydrophobicContact CG2-CE2 3.57Å; I32-F36 VanDerWaalsContact O-CD2 3.22Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å
33	A	82.6	Confident	81.7	Confident	5 Å²	5	75 Å²	75	4%	0.041	39%	0.389	C	S	.	.	H	α-helix	trans	-58.1	-43.8	178.3	0	0	0	0	0	114	Y28 L35 F36 D37	Y28-A33 PolarHBondContact O-N 2.94Å; A33-L35 PolarHBondContact O-N 2.99Å; A33-L35 VanDerWaalsContact O-N 3.12Å; A33-F36 PolarHBondContact O-N 3.33Å; A33-D37 PolarHBondContact O-N 2.9Å
34	P	79.1	Confident	81.2	Confident	57 Å²	57	78.3 Å²	78.3	37%	0.37	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-17.6	176.1	-18.4	28.8	0	0	0	115	A30 H39	A30-P34 WeakPolarHBondContact O-CG 3.22Å; P34-H39 VanDerWaalsContact CA-CD2 3.45Å; P34-H39 WeakPolarHBondContact CA-CD2 3.13Å
35	L	82.4	Confident	80.9	Confident	142 Å²	142	77.4 Å²	77.4	74%	0.743	41%	0.405	S	S	*	.	H	α-helix	trans	-77.2	-27.5	175.8	-173.4	62.2	0	0	0	111.7	I32 A33	I32-L35 VanDerWaalsContact O-CB 3.29Å; I32-L35 WeakPolarHBondContact O-CB 3.2Å; I32-L35 PolarHBondContact O-N 3.25Å; I32-L35 VanDerWaalsContact O-N 3.09Å; A33-L35 PolarHBondContact O-N 2.99Å; A33-L35 VanDerWaalsContact O-N 3.12Å
36	F	81.4	Confident	80.8	Confident	118 Å²	118	78.9 Å²	78.9	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-99.9	-32.8	-177.7	-66	-68.5	0	0	0	113.3	I32 A33	I32-F36 HydrophobicContact CG2-CD2 4.05Å; I32-F36 HydrophobicContact CG2-CE2 3.57Å; I32-F36 VanDerWaalsContact O-CD2 3.22Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å; A33-F36 PolarHBondContact O-N 3.33Å
37	D	76.5	Confident	80.8	Confident	13 Å²	13	78.4 Å²	78.4	7%	0.07	40%	0.401	C	S	.	.	S	Bend	trans	-124.3	136.1	-176.1	-58.4	-56.6	0	0	0	110.6	A33 H39 F70	A33-D37 PolarHBondContact O-N 2.9Å; D37-H39 PolarHBondContact O-N 3.11Å; D37-F70 WeakPolarHBondContact OD2-CE2 3.35Å; D37-F70 WeakPolarHBondContact OD2-CZ 3.18Å
38	E	73.8	Confident	80.7	Confident	140 Å²	140	78.6 Å²	78.6	65%	0.654	40%	0.4	S	S	*	.			trans	-72.9	119.4	175.1	-168.1	179.2	163	0	0	109.2	T40 S68 G69	E38-T40 HydrophobicContact CG-CG2 4.15Å; E38-S68 WeakPolarHBondContact O-CA 3.45Å; E38-G69 PolarHBondContact O-N 3.42Å
39	H	74.7	Confident	80.6	Confident	42 Å²	42	81.6 Å²	81.6	19%	0.194	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.1	177.3	-69.5	-47.3	0	0	0	110.8	P34 D37 C66 F67	P34-H39 VanDerWaalsContact CA-CD2 3.45Å; P34-H39 WeakPolarHBondContact CA-CD2 3.13Å; D37-H39 PolarHBondContact O-N 3.11Å; H39-C66 HydrophobicContact CB-CB 3.91Å; H39-F67 VanDerWaalsContact CA-O 3.26Å; H39-F67 WeakPolarHBondContact CA-O 3.29Å
40	T	75.5	Confident	80.8	Confident	58 Å²	58	85.5 Å²	85.5	36%	0.356	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	151.6	174.1	59.2	0	0	0	0	111.1	E38 C66 F67	E38-T40 HydrophobicContact CG-CG2 4.15Å; T40-C66 CarbonylContact O-C 3.57Å; T40-C66 WeakPolarHBondContact O-CA 3.12Å; T40-F67 PolarHBondContact N-O 3.21Å; T40-F67 VanDerWaalsContact N-O 3.12Å; T40-F67 PolarHBondContact O-N 2.98Å; T40-F67 WeakPolarHBondContact OG1-CD1 3.32Å
41	L	80.2	Confident	81	Confident	127 Å²	127	85.4 Å²	85.4	67%	0.665	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.7	175.3	-69.2	174.1	0	0	0	110	H65	L41-H65 VanDerWaalsContact CA-O 3.32Å; L41-H65 WeakPolarHBondContact CA-O 3.11Å
42	L	78.9	Confident	81.1	Confident	10 Å²	10	82 Å²	82	5%	0.052	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-56.9	128.7	176.5	-166.6	74.9	0	0	0	110.1	K48 I51 H65 L96	L42-K48 HydrophobicContact CD2-CB 3.94Å; L42-K48 HydrophobicContact CD2-CG 4.37Å; L42-I51 HydrophobicContact CD2-CD1 4.06Å; L42-H65 HydrophobicContact CB-CB 3.51Å; L42-H65 HydrophobicContact CD2-CB 4.36Å; L42-H65 PolarHBondContact N-O 3.29Å; L42-H65 VanDerWaalsContact N-O 3.09Å; L42-L96 HydrophobicContact CD1-CD2 4.49Å
43	P	77.4	Confident	81.2	Confident	91 Å²	91	85.9 Å²	85.9	59%	0.591	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.6	152.3	-178.9	24.1	-33.6	0	0	0	110.9	G45	P43-G45 PolarHBondContact O-N 2.91Å
44	K	80.3	Confident	81.4	Confident	201 Å²	201	91.1 Å²	91.1	87%	0.874	45%	0.45	S	S	*	.	S	Bend	trans	-64	126.3	173.5	-66.9	-179.1	-179.7	177.4	0	108.5
45	G	82.4	Confident	81.6	Confident	39 Å²	39	89 Å²	89	40%	0.402	44%	0.436	S	S	.	.	S	Bend	trans	-175.6	-180	-178.3	0	0	0	0	0	112.3	P43 K48 R49	P43-G45 PolarHBondContact O-N 2.91Å; G45-K48 PolarHBondContact O-N 3.05Å; G45-R49 PolarHBondContact O-N 2.91Å
46	E	85.3	Confident	81.7	Confident	123 Å²	123	85.9 Å²	85.9	58%	0.575	43%	0.431	S	S	*	.	H	α-helix	trans	-58.7	-49.6	178.7	-174	170.2	-167.9	0	0	111.5	K48 R49 E50	E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.22Å; E46-R49 WeakPolarHBondContact O-CA 3.46Å; E46-R49 WeakPolarHBondContact O-CB 3.34Å; E46-R49 PolarHBondContact O-N 3.46Å; E46-E50 PolarHBondContact O-N 3.06Å
47	L	83.9	Confident	81.9	Confident	37 Å²	37	87 Å²	87	19%	0.194	44%	0.437	C	S	.	.	H	α-helix	trans	-53.1	-44	177	178.4	66.2	0	0	0	113	R49 E50 I51 L96 Y99	L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 2.98Å; L47-E50 PolarHBondContact O-N 2.88Å; L47-I51 HydrophobicContact CD1-CD1 4.03Å; L47-I51 HydrophobicContact CD1-CG1 4.32Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 VanDerWaalsContact O-CG1 3.25Å; L47-I51 WeakPolarHBondContact O-CG1 3.39Å; L47-I51 PolarHBondContact O-N 3.39Å; L47-L96 HydrophobicContact CD2-CD1 3.19Å; L47-Y99 HydrophobicContact CB-CE1 4.44Å; L47-Y99 HydrophobicContact CD1-CD1 4.39Å; L47-Y99 HydrophobicContact CD1-CE1 3.97Å; L47-Y99 HydrophobicContact CD1-CE2 4.29Å; L47-Y99 HydrophobicContact CD2-CD1 4.49Å
48	K	83.1	Confident	82.2	Confident	52 Å²	52	91.1 Å²	91.1	23%	0.226	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-42	178.1	-178.5	176.1	172.2	171.1	0	111.2	L42 G45 E46 I51 E52	L42-K48 HydrophobicContact CD2-CB 3.94Å; L42-K48 HydrophobicContact CD2-CG 4.37Å; G45-K48 PolarHBondContact O-N 3.05Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.22Å; K48-I51 PolarHBondContact O-N 3.29Å; K48-E52 WeakPolarHBondContact CE-OE1 3.25Å; K48-E52 IonicContact NZ-OE1 3.98Å; K48-E52 WeakPolarHBondContact O-CB 3.29Å; K48-E52 VanDerWaalsContact O-CG 3.29Å; K48-E52 WeakPolarHBondContact O-CG 3.41Å; K48-E52 PolarHBondContact O-N 3.49Å
49	R	85.3	Confident	82.1	Confident	192 Å²	192	96.5 Å²	96.5	73%	0.725	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-39.8	177.9	-72.9	178	169.7	174.4	-2.7	112	G45 E46 L47 E52 K53	G45-R49 PolarHBondContact O-N 2.91Å; E46-R49 WeakPolarHBondContact O-CA 3.46Å; E46-R49 WeakPolarHBondContact O-CB 3.34Å; E46-R49 PolarHBondContact O-N 3.46Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 2.98Å; R49-E52 PolarHBondContact O-N 3Å; R49-K53 VanDerWaalsContact O-CB 3.31Å; R49-K53 WeakPolarHBondContact O-CB 3.26Å; R49-K53 PolarHBondContact O-N 2.8Å
50	E	85.2	Confident	82	Confident	91 Å²	91	95.7 Å²	95.7	43%	0.425	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.8	-69.1	-171.5	154.5	0	0	111.5	E46 L47 E52 K53 L54 Y99	E46-E50 PolarHBondContact O-N 3.06Å; L47-E50 PolarHBondContact O-N 2.88Å; E50-E52 PolarHBondContact O-N 3.31Å; E50-K53 PolarHBondContact O-N 3.49Å; E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 PolarHBondContact O-N 3.34Å; E50-Y99 PolarHBondContact OE2-OH 3.38Å
51	I	85.1	Confident	81.2	Confident	31 Å²	31	104 Å²	104	16%	0.159	49%	0.494	C	S	.	.	H	α-helix	trans	-61.6	-45.3	175.7	-65.2	165.3	0	0	0	110.2	L42 L47 K48 K53 L54 S55 L63 H65 I89 L91	L42-I51 HydrophobicContact CD2-CD1 4.06Å; L47-I51 HydrophobicContact CD1-CD1 4.03Å; L47-I51 HydrophobicContact CD1-CG1 4.32Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 VanDerWaalsContact O-CG1 3.25Å; L47-I51 WeakPolarHBondContact O-CG1 3.39Å; L47-I51 PolarHBondContact O-N 3.39Å; K48-I51 PolarHBondContact O-N 3.29Å; I51-K53 PolarHBondContact O-N 2.84Å; I51-L54 PolarHBondContact O-N 3.13Å; I51-S55 WeakPolarHBondContact O-CB 3.2Å; I51-S55 PolarHBondContact O-N 2.88Å; I51-S55 PolarHBondContact O-OG 2.95Å; I51-L63 HydrophobicContact CG2-CD1 4.04Å; I51-H65 VanDerWaalsContact CG2-NE2 3.32Å; I51-H65 WeakPolarHBondContact CG2-NE2 3.31Å; I51-I89 HydrophobicContact CG2-CD1 4.47Å; I51-L91 HydrophobicContact CD1-CD1 3.85Å
52	E	84.9	Confident	80.1	Confident	82 Å²	82	106.9 Å²	106.9	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177.3	-77	173.4	179.7	0	0	111.7	K48 R49 E50 S55 A56	K48-E52 WeakPolarHBondContact CE-OE1 3.25Å; K48-E52 IonicContact NZ-OE1 3.98Å; K48-E52 WeakPolarHBondContact O-CB 3.29Å; K48-E52 VanDerWaalsContact O-CG 3.29Å; K48-E52 WeakPolarHBondContact O-CG 3.41Å; K48-E52 PolarHBondContact O-N 3.49Å; R49-E52 PolarHBondContact O-N 3Å; E50-E52 PolarHBondContact O-N 3.31Å; E52-S55 WeakPolarHBondContact CA-OG 3.32Å; E52-S55 PolarHBondContact O-N 3.34Å; E52-S55 PolarHBondContact O-OG 3.29Å; E52-A56 WeakPolarHBondContact O-CB 3.32Å; E52-A56 PolarHBondContact O-N 2.94Å
53	K	87.7	Confident	79.4	Confident	152 Å²	152	107.7 Å²	107.7	66%	0.661	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-48.2	175.8	-176.5	179.9	178	-175.8	0	111.2	R49 E50 I51 S55 A56 Q57	R49-K53 VanDerWaalsContact O-CB 3.31Å; R49-K53 WeakPolarHBondContact O-CB 3.26Å; R49-K53 PolarHBondContact O-N 2.8Å; E50-K53 PolarHBondContact O-N 3.49Å; I51-K53 PolarHBondContact O-N 2.84Å; K53-S55 VanDerWaalsContact C-N 3.32Å; K53-S55 PolarHBondContact O-N 3.48Å; K53-A56 PolarHBondContact O-N 3.36Å; K53-Q57 WeakPolarHBondContact O-CG 3.29Å; K53-Q57 PolarHBondContact O-N 3.29Å
54	L	87	Confident	78.7	Confident	116 Å²	116	106.9 Å²	106.9	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-41.4	179.3	-160.3	65.6	0	0	0	110.9	E50 I51 A56 Q57 I58	E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 PolarHBondContact O-N 3.34Å; I51-L54 PolarHBondContact O-N 3.13Å; L54-A56 VanDerWaalsContact C-N 3.27Å; L54-A56 PolarHBondContact O-N 3.22Å; L54-Q57 WeakPolarHBondContact O-CB 3.41Å; L54-Q57 PolarHBondContact O-N 2.81Å; L54-I58 PolarHBondContact O-N 2.7Å
55	S	83.2	Confident	77.8	Confident	12 Å²	12	97.6 Å²	97.6	8%	0.084	45%	0.451	C	S	.	.	H	α-helix	trans	-67.3	-24.7	177.2	78.5	0	0	0	0	114.4	I51 E52 K53 I58 F60 L63	I51-S55 WeakPolarHBondContact O-CB 3.2Å; I51-S55 PolarHBondContact O-N 2.88Å; I51-S55 PolarHBondContact O-OG 2.95Å; E52-S55 WeakPolarHBondContact CA-OG 3.32Å; E52-S55 PolarHBondContact O-N 3.34Å; E52-S55 PolarHBondContact O-OG 3.29Å; K53-S55 VanDerWaalsContact C-N 3.32Å; K53-S55 PolarHBondContact O-N 3.48Å; S55-I58 CarbonylContact O-C 3.53Å; S55-I58 WeakPolarHBondContact O-CG1 3.38Å; S55-F60 CarbonylContact O-C 3.57Å; S55-F60 PolarHBondContact O-N 3.09Å; S55-L63 VanDerWaalsContact OG-CD1 3.23Å; S55-L63 WeakPolarHBondContact OG-CD1 3.35Å
56	A	84.1	Confident	76.8	Confident	77 Å²	77	96.3 Å²	96.3	64%	0.636	44%	0.435	S	S	*	.	H	α-helix	trans	-79.4	-24.9	176.2	0	0	0	0	0	111.9	E52 K53 L54 I58	E52-A56 WeakPolarHBondContact O-CB 3.32Å; E52-A56 PolarHBondContact O-N 2.94Å; K53-A56 PolarHBondContact O-N 3.36Å; L54-A56 VanDerWaalsContact C-N 3.27Å; L54-A56 PolarHBondContact O-N 3.22Å; A56-I58 VanDerWaalsContact C-N 3.34Å; A56-I58 CarbonylContact C-O 3.53Å
57	Q	85.4	Confident	75.8	Confident	140 Å²	140	92.3 Å²	92.3	65%	0.654	42%	0.416	S	S	*	.	H	α-helix	trans	-73.1	-29.7	174.5	-65.6	177	-74.6	0	0	112	K53 L54	K53-Q57 WeakPolarHBondContact O-CG 3.29Å; K53-Q57 PolarHBondContact O-N 3.29Å; L54-Q57 WeakPolarHBondContact O-CB 3.41Å; L54-Q57 PolarHBondContact O-N 2.81Å
58	I	82.2	Confident	74.8	Confident	100 Å²	100	90.5 Å²	90.5	51%	0.513	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	156.9	170	57.2	171	0	0	0	109	L54 S55 A56 F60	L54-I58 PolarHBondContact O-N 2.7Å; S55-I58 CarbonylContact O-C 3.53Å; S55-I58 WeakPolarHBondContact O-CG1 3.38Å; A56-I58 VanDerWaalsContact C-N 3.34Å; A56-I58 CarbonylContact C-O 3.53Å; I58-F60 HydrophobicContact CD1-CB 3.71Å; I58-F60 HydrophobicContact CD1-CD2 4.37Å; I58-F60 HydrophobicContact CD1-CG 4.24Å; I58-F60 HydrophobicContact CG1-CB 3.64Å; I58-F60 PolarHBondContact O-N 3.48Å
59	W	71.9	Confident	73.7	Confident	254 Å²	254	89.1 Å²	89.1	96%	0.962	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	57.6	175.4	-76	-86.8	0	0	0	111.9
60	F	73	Confident	72.7	Confident	24 Å²	24	83.1 Å²	83.1	11%	0.105	39%	0.387	C	S	.	.			trans	-127.3	60.3	-173.5	-150	-75.9	0	0	0	110.1	S55 I58 R62 L63 L80 K87 I89	S55-F60 CarbonylContact O-C 3.57Å; S55-F60 PolarHBondContact O-N 3.09Å; I58-F60 HydrophobicContact CD1-CB 3.71Å; I58-F60 HydrophobicContact CD1-CD2 4.37Å; I58-F60 HydrophobicContact CD1-CG 4.24Å; I58-F60 HydrophobicContact CG1-CB 3.64Å; I58-F60 PolarHBondContact O-N 3.48Å; F60-R62 PolarHBondContact O-N 3.37Å; F60-L63 HydrophobicContact CD1-CD1 4.32Å; F60-L63 HydrophobicContact CD1-CD2 3.71Å; F60-L63 HydrophobicContact CD1-CG 3.86Å; F60-L63 HydrophobicContact CE1-CD2 3.34Å; F60-L63 HydrophobicContact CE1-CG 3.98Å; F60-L63 HydrophobicContact CZ-CD2 4.47Å; F60-L80 HydrophobicContact CE1-CD2 4.4Å; F60-L80 HydrophobicContact CE2-CD2 3.72Å; F60-L80 HydrophobicContact CZ-CD2 3.57Å; F60-K87 HydrophobicContact CD1-CB 4.31Å; F60-K87 HydrophobicContact CD1-CD 4.46Å; F60-K87 HydrophobicContact CD2-CD 3.54Å; F60-K87 HydrophobicContact CE1-CB 3.45Å; F60-K87 VanDerWaalsContact CE1-CB 3.45Å; F60-K87 HydrophobicContact CE1-CD 4.17Å; F60-K87 HydrophobicContact CE1-CG 4.43Å; F60-K87 HydrophobicContact CE2-CB 3.83Å; F60-K87 HydrophobicContact CE2-CD 3.24Å; F60-K87 HydrophobicContact CE2-CG 4.15Å; F60-K87 HydrophobicContact CG-CD 4.16Å; F60-K87 HydrophobicContact CZ-CB 3.2Å; F60-K87 HydrophobicContact CZ-CD 3.61Å; F60-K87 HydrophobicContact CZ-CG 4.02Å; F60-I89 HydrophobicContact CE1-CD1 4.39Å; F60-I89 HydrophobicContact CE1-CG1 4.23Å; F60-I89 HydrophobicContact CZ-CG1 4.42Å
61	R	58.4	Low	71.5	Confident	233 Å²	233	88.3 Å²	88.3	88%	0.879	41%	0.408	S	S	*	.			trans	-78.9	-7.2	-160.1	-156.6	170.2	-176.6	-107.6	-0.2	116.5
62	R	57.7	Low	70.6	Confident	187 Å²	187	95.7 Å²	95.7	71%	0.706	43%	0.433	S	S	*	.			trans	-140.2	86.2	-168	-68.8	-75.7	-76.4	-96.3	-3.9	110.8	F60	F60-R62 PolarHBondContact O-N 3.37Å
63	L	63.8	Low	69.5	Low	27 Å²	27	94.5 Å²	94.5	14%	0.141	43%	0.434	C	S	.	.			trans	-96.7	114.6	-179.9	-78.2	162.2	0	0	0	111.9	I51 S55 F60 H65 I89	I51-L63 HydrophobicContact CG2-CD1 4.04Å; S55-L63 VanDerWaalsContact OG-CD1 3.23Å; S55-L63 WeakPolarHBondContact OG-CD1 3.35Å; F60-L63 HydrophobicContact CD1-CD1 4.32Å; F60-L63 HydrophobicContact CD1-CD2 3.71Å; F60-L63 HydrophobicContact CD1-CG 3.86Å; F60-L63 HydrophobicContact CE1-CD2 3.34Å; F60-L63 HydrophobicContact CE1-CG 3.98Å; F60-L63 HydrophobicContact CZ-CD2 4.47Å; L63-H65 VanDerWaalsContact CB-NE2 3.32Å; L63-H65 WeakPolarHBondContact CB-NE2 3.31Å; L63-H65 WeakPolarHBondContact CD1-NE2 3.06Å; L63-I89 HydrophobicContact CD1-CD1 4.22Å; L63-I89 HydrophobicContact CD2-CB 3.84Å; L63-I89 HydrophobicContact CD2-CD1 3.21Å; L63-I89 HydrophobicContact CD2-CG1 3.23Å; L63-I89 HydrophobicContact CG-CD1 4.38Å
64	N	62.2	Low	68.5	Low	74 Å²	74	91.9 Å²	91.9	40%	0.396	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.9	154.1	-62	-52.6	0	0	0	106.6	C66 R88 I89	N64-C66 PolarHBondContact O-N 3Å; N64-R88 HydrophobicContact CB-CG 4.22Å; N64-I89 PolarHBondContact O-N 3.47Å
65	H	62.6	Low	68	Low	7 Å²	7	93.2 Å²	93.2	3%	0.032	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.5	177.8	-55.7	113.6	0	0	0	108.5	L41 L42 I51 L63	L41-H65 VanDerWaalsContact CA-O 3.32Å; L41-H65 WeakPolarHBondContact CA-O 3.11Å; L42-H65 HydrophobicContact CB-CB 3.51Å; L42-H65 HydrophobicContact CD2-CB 4.36Å; L42-H65 PolarHBondContact N-O 3.29Å; L42-H65 VanDerWaalsContact N-O 3.09Å; I51-H65 VanDerWaalsContact CG2-NE2 3.32Å; I51-H65 WeakPolarHBondContact CG2-NE2 3.31Å; L63-H65 VanDerWaalsContact CB-NE2 3.32Å; L63-H65 WeakPolarHBondContact CB-NE2 3.31Å; L63-H65 WeakPolarHBondContact CD1-NE2 3.06Å
66	C	60.7	Low	67.8	Low	12 Å²	12	94.8 Å²	94.8	8%	0.081	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123	176.4	-68.5	0	0	0	0	108.8	H39 T40 N64 I89 V90 L91	H39-C66 HydrophobicContact CB-CB 3.91Å; T40-C66 CarbonylContact O-C 3.57Å; T40-C66 WeakPolarHBondContact O-CA 3.12Å; N64-C66 PolarHBondContact O-N 3Å; C66-I89 PolarHBondContact N-O 3.27Å; C66-V90 HydrophobicContact CB-CG2 4.36Å; C66-V90 VanDerWaalsContact O-CA 3.26Å; C66-V90 WeakPolarHBondContact O-CA 3.5Å; C66-L91 PolarHBondContact O-N 2.72Å
67	F	63.9	Low	67.8	Low	38 Å²	38	95 Å²	95	17%	0.167	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123	166.5	171.1	-89.5	0	0	0	107.7	H39 T40 L91 D93 L96	H39-F67 VanDerWaalsContact CA-O 3.26Å; H39-F67 WeakPolarHBondContact CA-O 3.29Å; T40-F67 PolarHBondContact N-O 3.21Å; T40-F67 VanDerWaalsContact N-O 3.12Å; T40-F67 PolarHBondContact O-N 2.98Å; T40-F67 WeakPolarHBondContact OG1-CD1 3.32Å; F67-L91 WeakPolarHBondContact CA-O 2.93Å; F67-D93 HydrophobicContact CD2-CB 4.42Å; F67-D93 HydrophobicContact CE1-CB 4.15Å; F67-D93 HydrophobicContact CE2-CB 3.36Å; F67-D93 VanDerWaalsContact CE2-CG 3.43Å; F67-D93 WeakPolarHBondContact CE2-OD1 3.43Å; F67-D93 HydrophobicContact CZ-CB 3.21Å; F67-D93 VanDerWaalsContact CZ-OD1 3.27Å; F67-D93 WeakPolarHBondContact CZ-OD1 3.43Å; F67-L96 HydrophobicContact CD2-CD2 4.39Å; F67-L96 HydrophobicContact CE2-CD2 4.23Å
68	S	63.6	Low	67.9	Low	0 Å²	0	90.5 Å²	90.5	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.8	172.7	60.4	0	0	0	0	109.9	E38 F70 V90 L91 Y92	E38-S68 WeakPolarHBondContact O-CA 3.45Å; S68-F70 VanDerWaalsContact C-N 3.28Å; S68-F70 PolarHBondContact O-N 3.24Å; S68-V90 WeakPolarHBondContact OG-CG1 3.34Å; S68-L91 PolarHBondContact N-O 3.5Å; S68-L91 VanDerWaalsContact N-O 3.11Å; S68-Y92 WeakPolarHBondContact OG-CD1 3.46Å
69	G	60.6	Low	68	Low	23 Å²	23	88.5 Å²	88.5	24%	0.237	41%	0.413	C	S	.	.			trans	-75.8	74.6	171	0	0	0	0	0	111.6	E38 K71	E38-G69 PolarHBondContact O-N 3.42Å; G69-K71 PolarHBondContact O-N 3.33Å
70	F	62.9	Low	68.7	Low	66 Å²	66	81.6 Å²	81.6	29%	0.289	39%	0.394	S	S	.	.			trans	-68.8	105.4	174.2	-100.7	-84.8	0	0	0	109.9	D37 S68 R72 Y92	D37-F70 WeakPolarHBondContact OD2-CE2 3.35Å; D37-F70 WeakPolarHBondContact OD2-CZ 3.18Å; S68-F70 VanDerWaalsContact C-N 3.28Å; S68-F70 PolarHBondContact O-N 3.24Å; F70-R72 VanDerWaalsContact C-N 3.29Å; F70-Y92 HydrophobicContact CB-CD2 4.27Å; F70-Y92 HydrophobicContact CB-CE2 4.22Å; F70-Y92 AromaticContact CD2-CD2 3.93Å; F70-Y92 HydrophobicContact CD2-CD2 3.93Å; F70-Y92 HydrophobicContact CD2-CE1 4.09Å; F70-Y92 AromaticContact CD2-CE2 3.35Å; F70-Y92 HydrophobicContact CD2-CE2 3.35Å; F70-Y92 HydrophobicContact CD2-CG 4.5Å; F70-Y92 AromaticContact CD2-CZ 3.44Å; F70-Y92 VanDerWaalsContact CD2-CZ 3.44Å; F70-Y92 HydrophobicContact CE2-CE1 4.08Å; F70-Y92 AromaticContact CE2-CE2 3.78Å; F70-Y92 HydrophobicContact CE2-CE2 3.78Å; F70-Y92 AromaticContact CE2-CZ 3.41Å; F70-Y92 VanDerWaalsContact CE2-CZ 3.41Å; F70-Y92 WeakPolarHBondContact CE2-OH 3.4Å; F70-Y92 HydrophobicContact CG-CD2 4.29Å; F70-Y92 AromaticContact CG-CE2 3.78Å; F70-Y92 HydrophobicContact CG-CE2 3.78Å
71	K	61	Low	69.1	Low	199 Å²	199	81.6 Å²	81.6	87%	0.865	39%	0.393	S	S	*	.			trans	-77.6	-14.4	175	-67.1	179.3	-178.8	175	0	113.4	G69	G69-K71 PolarHBondContact O-N 3.33Å
72	R	65.6	Low	70.2	Confident	186 Å²	186	72.1 Å²	72.1	70%	0.702	37%	0.368	S	S	*	.	S	Bend	trans	-99.9	-5.1	-164.2	-61.3	-173.1	-175.8	114.6	-1.2	115.2	F70	F70-R72 VanDerWaalsContact C-N 3.29Å
73	S	62.3	Low	71.2	Confident	57 Å²	57	67.7 Å²	67.7	40%	0.399	36%	0.357	S	S	.	.			trans	-163.2	145.8	178.5	-176.6	0	0	0	0	112.4	H75	S73-H75 PolarHBondContact O-N 3.17Å; S73-H75 PolarHBondContact OG-CD2 2.82Å; S73-H75 VanDerWaalsContact OG-CD2 3.3Å; S73-H75 PolarHBondContact OG-N 2.98Å
74	S	67	Low	71.6	Confident	98 Å²	98	76.5 Å²	76.5	69%	0.685	39%	0.389	S	S	*	.			trans	-81.9	3.8	175.1	56.1	0	0	0	0	113.7	S76	S74-S76 PolarHBondContact O-N 3.1Å
75	H	76.3	Confident	72.2	Confident	143 Å²	143	79.1 Å²	79.1	66%	0.662	40%	0.403	S	S	*	.			trans	-71.1	124.5	178.7	-82.5	-84.6	0	0	0	111.6	S73 Y92 T94	S73-H75 PolarHBondContact O-N 3.17Å; S73-H75 PolarHBondContact OG-CD2 2.82Å; S73-H75 VanDerWaalsContact OG-CD2 3.3Å; S73-H75 PolarHBondContact OG-N 2.98Å; H75-Y92 WeakPolarHBondContact O-CD2 3.4Å; H75-T94 PolarHBondContact O-OG1 3.39Å
76	S	79.2	Confident	72.8	Confident	45 Å²	45	83 Å²	83	32%	0.315	42%	0.424	S	S	.	.			trans	-81.6	125.5	174.3	172.6	0	0	0	0	110.3	S74 T94 L95	S74-S76 PolarHBondContact O-N 3.1Å; S76-T94 WeakPolarHBondContact CA-OG1 3.4Å; S76-T94 PolarHBondContact N-OG1 3.03Å; S76-L95 VanDerWaalsContact OG-CA 3.25Å; S76-L95 WeakPolarHBondContact OG-CA 3.34Å; S76-L95 WeakPolarHBondContact OG-CB 3.23Å; S76-L95 WeakPolarHBondContact OG-CG 3.42Å
77	N	83.5	Confident	73.8	Confident	83 Å²	83	85.6 Å²	85.6	44%	0.444	43%	0.434	S	S	.	.			trans	-141.8	162.5	173.6	-161.4	8.2	0	0	0	111.1	Y92	N77-Y92 HydrophobicContact CB-CD1 4.11Å; N77-Y92 HydrophobicContact CB-CD2 4.23Å; N77-Y92 HydrophobicContact CB-CE1 3.95Å; N77-Y92 HydrophobicContact CB-CE2 4.1Å; N77-Y92 HydrophobicContact CB-CG 4.25Å; N77-Y92 WeakPolarHBondContact O-CB 3.45Å; N77-Y92 WeakPolarHBondContact O-CD1 3.39Å; N77-Y92 PolarHBondContact O-N 3.42Å
78	A	87	Confident	74.6	Confident	44 Å²	44	86.9 Å²	86.9	36%	0.364	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.5	168.1	0	0	0	0	0	108.2	V90 L91 L95	A78-V90 VanDerWaalsContact CA-O 3.31Å; A78-V90 WeakPolarHBondContact CA-O 3.36Å; A78-L91 HydrophobicContact CB-CD2 3.68Å; A78-L95 HydrophobicContact CB-CD1 3.86Å
79	Y	85.2	Confident	75.5	Confident	59 Å²	59	88 Å²	88	23%	0.231	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.4	177.1	67	-90.8	0	0	0	111.8	Y81 V90 Y92	Y79-Y81 AromaticContact CD2-CD1 3.96Å; Y79-Y81 HydrophobicContact CD2-CD1 3.96Å; Y79-Y81 AromaticContact CE2-CD1 3.52Å; Y79-Y81 HydrophobicContact CE2-CD1 3.52Å; Y79-Y81 HydrophobicContact CE2-CE1 4.01Å; Y79-Y81 HydrophobicContact CE2-CG 4.47Å; Y79-V90 HydrophobicContact CD1-CB 4.11Å; Y79-V90 HydrophobicContact CD1-CG1 4.47Å; Y79-V90 HydrophobicContact CD2-CB 4.41Å; Y79-V90 HydrophobicContact CD2-CG2 4.44Å; Y79-V90 HydrophobicContact CE1-CB 3.72Å; Y79-V90 HydrophobicContact CE1-CG1 3.76Å; Y79-V90 HydrophobicContact CE1-CG2 4.27Å; Y79-V90 HydrophobicContact CE2-CB 4.05Å; Y79-V90 HydrophobicContact CE2-CG2 3.8Å; Y79-V90 HydrophobicContact CG-CB 4.44Å; Y79-V90 PolarHBondContact N-O 2.87Å; Y79-V90 VanDerWaalsContact N-O 3.13Å; Y79-V90 PolarHBondContact O-N 3.48Å; Y79-Y92 HydrophobicContact CD1-CE1 4.03Å; Y79-Y92 AromaticContact CE1-CE1 3.83Å; Y79-Y92 HydrophobicContact CE1-CE1 3.83Å
80	L	85.5	Confident	76.6	Confident	109 Å²	109	87 Å²	87	57%	0.571	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	138.6	177.2	-53.9	94.4	0	0	0	108.3	F60 R88 I89	F60-L80 HydrophobicContact CE1-CD2 4.4Å; F60-L80 HydrophobicContact CE2-CD2 3.72Å; F60-L80 HydrophobicContact CZ-CD2 3.57Å; L80-R88 VanDerWaalsContact CA-O 3.32Å; L80-R88 WeakPolarHBondContact CA-O 3.47Å; L80-I89 HydrophobicContact CD2-CD1 3.88Å; L80-I89 HydrophobicContact CD2-CG1 3.67Å; L80-I89 HydrophobicContact CG-CD1 4.5Å; L80-I89 HydrophobicContact CG-CG1 3.92Å
81	Y	82.9	Confident	77.6	Confident	24 Å²	24	84.9 Å²	84.9	9%	0.094	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.8	173.7	71.3	-93.9	0	0	0	112	P29 Y79 K87 R88 V90	P29-Y81 HydrophobicContact CB-CD1 3.72Å; P29-Y81 HydrophobicContact CB-CD2 3.51Å; P29-Y81 HydrophobicContact CB-CE1 3.87Å; P29-Y81 HydrophobicContact CB-CE2 3.72Å; P29-Y81 HydrophobicContact CB-CG 3.49Å; P29-Y81 VanDerWaalsContact CB-CG 3.49Å; P29-Y81 HydrophobicContact CG-CD1 4.32Å; P29-Y81 HydrophobicContact CG-CD2 3.35Å; P29-Y81 HydrophobicContact CG-CE2 3.91Å; P29-Y81 HydrophobicContact CG-CG 3.58Å; P29-Y81 PolarHBondContact O-OH 3.48Å; Y79-Y81 AromaticContact CD2-CD1 3.96Å; Y79-Y81 HydrophobicContact CD2-CD1 3.96Å; Y79-Y81 AromaticContact CE2-CD1 3.52Å; Y79-Y81 HydrophobicContact CE2-CD1 3.52Å; Y79-Y81 HydrophobicContact CE2-CE1 4.01Å; Y79-Y81 HydrophobicContact CE2-CG 4.47Å; Y81-K87 CarbonylContact O-C 3.59Å; Y81-K87 WeakPolarHBondContact O-CA 3.42Å; Y81-R88 HydrophobicContact CD1-CB 4.21Å; Y81-R88 HydrophobicContact CD2-CB 4.42Å; Y81-R88 HydrophobicContact CE1-CB 3.84Å; Y81-R88 HydrophobicContact CE2-CB 4.03Å; Y81-R88 HydrophobicContact CE2-CG 4.17Å; Y81-R88 PolarHBondContact N-O 2.88Å; Y81-R88 PolarHBondContact O-N 3.19Å; Y81-R88 WeakPolarHBondContact OH-CD 3.06Å; Y81-V90 HydrophobicContact CD1-CG2 3.99Å; Y81-V90 HydrophobicContact CE1-CG2 3.44Å; Y81-V90 VanDerWaalsContact CE1-CG2 3.44Å
82	G	80.7	Confident	78.8	Confident	33 Å²	33	77 Å²	77	34%	0.34	39%	0.389	S	S	.	.			trans	107.3	159.4	175.8	0	0	0	0	0	113.9	N86	G82-N86 WeakPolarHBondContact CA-O 3.34Å
83	I	78.9	Confident	79.5	Confident	94 Å²	94	71.9 Å²	71.9	48%	0.482	38%	0.376	S	S	.	.	S	Bend	trans	-109	139.9	-171.8	-62	-179.8	0	0	0	109.9	T26 N85 N86	T26-I83 HydrophobicContact CG2-CD1 4.19Å; T26-I83 HydrophobicContact CG2-CG1 4.39Å; T26-I83 WeakPolarHBondContact OG1-CD1 3.46Å; I83-N85 PolarHBondContact O-N 2.7Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.09Å
84	W	73	Confident	80.5	Confident	212 Å²	212	71 Å²	71	80%	0.803	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-88.4	171.2	-143.8	-98.4	0	0	0	115.1	K87	W84-K87 WeakPolarHBondContact O-CE 3.37Å
85	N	72.9	Confident	81.2	Confident	129 Å²	129	68.8 Å²	68.8	69%	0.69	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-9.6	-173.9	-71.4	-23.6	0	0	0	114	I83	I83-N85 PolarHBondContact O-N 2.7Å
86	N	76.3	Confident	81.5	Confident	90 Å²	90	62.8 Å²	62.8	48%	0.481	32%	0.321	S	S	.	.			trans	-113.4	59.2	-178.2	-166.5	-9.5	0	0	0	110.4	G82 I83 R88	G82-N86 WeakPolarHBondContact CA-O 3.34Å; I83-N86 PolarHBondContact O-N 3.44Å; I83-N86 VanDerWaalsContact O-N 3.09Å; N86-R88 PolarHBondContact OD1-NE 3.32Å
87	K	80.8	Confident	81.6	Confident	65 Å²	65	63.2 Å²	63.2	28%	0.283	33%	0.327	S	S	.	.			trans	-89.5	137.7	178.2	-46	-172.6	-164.8	-162.7	0	109.8	F60 Y81 W84	F60-K87 HydrophobicContact CD1-CB 4.31Å; F60-K87 HydrophobicContact CD1-CD 4.46Å; F60-K87 HydrophobicContact CD2-CD 3.54Å; F60-K87 HydrophobicContact CE1-CB 3.45Å; F60-K87 VanDerWaalsContact CE1-CB 3.45Å; F60-K87 HydrophobicContact CE1-CD 4.17Å; F60-K87 HydrophobicContact CE1-CG 4.43Å; F60-K87 HydrophobicContact CE2-CB 3.83Å; F60-K87 HydrophobicContact CE2-CD 3.24Å; F60-K87 HydrophobicContact CE2-CG 4.15Å; F60-K87 HydrophobicContact CG-CD 4.16Å; F60-K87 HydrophobicContact CZ-CB 3.2Å; F60-K87 HydrophobicContact CZ-CD 3.61Å; F60-K87 HydrophobicContact CZ-CG 4.02Å; Y81-K87 CarbonylContact O-C 3.59Å; Y81-K87 WeakPolarHBondContact O-CA 3.42Å; W84-K87 WeakPolarHBondContact O-CE 3.37Å
88	R	80.6	Confident	81.6	Confident	65 Å²	65	65.6 Å²	65.6	25%	0.245	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.1	-177.2	-59.5	-173.4	177.6	-167.8	-2.6	109.2	N64 L80 Y81 N86	N64-R88 HydrophobicContact CB-CG 4.22Å; L80-R88 VanDerWaalsContact CA-O 3.32Å; L80-R88 WeakPolarHBondContact CA-O 3.47Å; Y81-R88 HydrophobicContact CD1-CB 4.21Å; Y81-R88 HydrophobicContact CD2-CB 4.42Å; Y81-R88 HydrophobicContact CE1-CB 3.84Å; Y81-R88 HydrophobicContact CE2-CB 4.03Å; Y81-R88 HydrophobicContact CE2-CG 4.17Å; Y81-R88 PolarHBondContact N-O 2.88Å; Y81-R88 PolarHBondContact O-N 3.19Å; Y81-R88 WeakPolarHBondContact OH-CD 3.06Å; N86-R88 PolarHBondContact OD1-NE 3.32Å
89	I	83.9	Confident	81.4	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.128	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	172.1	-67.1	-178.9	0	0	0	107.2	I51 F60 L63 N64 C66 L80 L91	I51-I89 HydrophobicContact CG2-CD1 4.47Å; F60-I89 HydrophobicContact CE1-CD1 4.39Å; F60-I89 HydrophobicContact CE1-CG1 4.23Å; F60-I89 HydrophobicContact CZ-CG1 4.42Å; L63-I89 HydrophobicContact CD1-CD1 4.22Å; L63-I89 HydrophobicContact CD2-CB 3.84Å; L63-I89 HydrophobicContact CD2-CD1 3.21Å; L63-I89 HydrophobicContact CD2-CG1 3.23Å; L63-I89 HydrophobicContact CG-CD1 4.38Å; N64-I89 PolarHBondContact O-N 3.47Å; C66-I89 PolarHBondContact N-O 3.27Å; L80-I89 HydrophobicContact CD2-CD1 3.88Å; L80-I89 HydrophobicContact CD2-CG1 3.67Å; L80-I89 HydrophobicContact CG-CD1 4.5Å; L80-I89 HydrophobicContact CG-CG1 3.92Å; I89-L91 HydrophobicContact CG2-CD2 3.86Å; I89-L91 HydrophobicContact CG2-CG 4.02Å
90	V	83.9	Confident	81.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.6	172.9	-175.7	0	0	0	0	108.8	C66 S68 A78 Y79 Y81	C66-V90 HydrophobicContact CB-CG2 4.36Å; C66-V90 VanDerWaalsContact O-CA 3.26Å; C66-V90 WeakPolarHBondContact O-CA 3.5Å; S68-V90 WeakPolarHBondContact OG-CG1 3.34Å; A78-V90 VanDerWaalsContact CA-O 3.31Å; A78-V90 WeakPolarHBondContact CA-O 3.36Å; Y79-V90 HydrophobicContact CD1-CB 4.11Å; Y79-V90 HydrophobicContact CD1-CG1 4.47Å; Y79-V90 HydrophobicContact CD2-CB 4.41Å; Y79-V90 HydrophobicContact CD2-CG2 4.44Å; Y79-V90 HydrophobicContact CE1-CB 3.72Å; Y79-V90 HydrophobicContact CE1-CG1 3.76Å; Y79-V90 HydrophobicContact CE1-CG2 4.27Å; Y79-V90 HydrophobicContact CE2-CB 4.05Å; Y79-V90 HydrophobicContact CE2-CG2 3.8Å; Y79-V90 HydrophobicContact CG-CB 4.44Å; Y79-V90 PolarHBondContact N-O 2.87Å; Y79-V90 VanDerWaalsContact N-O 3.13Å; Y79-V90 PolarHBondContact O-N 3.48Å; Y81-V90 HydrophobicContact CD1-CG2 3.99Å; Y81-V90 HydrophobicContact CE1-CG2 3.44Å; Y81-V90 VanDerWaalsContact CE1-CG2 3.44Å
91	L	83.8	Confident	81.2	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.12	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	175.9	-60.5	177.1	0	0	0	109.1	I51 C66 F67 S68 A78 I89	I51-L91 HydrophobicContact CD1-CD1 3.85Å; C66-L91 PolarHBondContact O-N 2.72Å; F67-L91 WeakPolarHBondContact CA-O 2.93Å; S68-L91 PolarHBondContact N-O 3.5Å; S68-L91 VanDerWaalsContact N-O 3.11Å; A78-L91 HydrophobicContact CB-CD2 3.68Å; I89-L91 HydrophobicContact CG2-CD2 3.86Å; I89-L91 HydrophobicContact CG2-CG 4.02Å
92	Y	84.9	Confident	81.3	Confident	33 Å²	33	71.5 Å²	71.5	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	146.2	176.8	-77	41.7	0	0	0	109.9	S68 F70 H75 N77 Y79 T94 L95 L96	S68-Y92 WeakPolarHBondContact OG-CD1 3.46Å; F70-Y92 HydrophobicContact CB-CD2 4.27Å; F70-Y92 HydrophobicContact CB-CE2 4.22Å; F70-Y92 AromaticContact CD2-CD2 3.93Å; F70-Y92 HydrophobicContact CD2-CD2 3.93Å; F70-Y92 HydrophobicContact CD2-CE1 4.09Å; F70-Y92 AromaticContact CD2-CE2 3.35Å; F70-Y92 HydrophobicContact CD2-CE2 3.35Å; F70-Y92 HydrophobicContact CD2-CG 4.5Å; F70-Y92 AromaticContact CD2-CZ 3.44Å; F70-Y92 VanDerWaalsContact CD2-CZ 3.44Å; F70-Y92 HydrophobicContact CE2-CE1 4.08Å; F70-Y92 AromaticContact CE2-CE2 3.78Å; F70-Y92 HydrophobicContact CE2-CE2 3.78Å; F70-Y92 AromaticContact CE2-CZ 3.41Å; F70-Y92 VanDerWaalsContact CE2-CZ 3.41Å; F70-Y92 WeakPolarHBondContact CE2-OH 3.4Å; F70-Y92 HydrophobicContact CG-CD2 4.29Å; F70-Y92 AromaticContact CG-CE2 3.78Å; F70-Y92 HydrophobicContact CG-CE2 3.78Å; H75-Y92 WeakPolarHBondContact O-CD2 3.4Å; N77-Y92 HydrophobicContact CB-CD1 4.11Å; N77-Y92 HydrophobicContact CB-CD2 4.23Å; N77-Y92 HydrophobicContact CB-CE1 3.95Å; N77-Y92 HydrophobicContact CB-CE2 4.1Å; N77-Y92 HydrophobicContact CB-CG 4.25Å; N77-Y92 WeakPolarHBondContact O-CB 3.45Å; N77-Y92 WeakPolarHBondContact O-CD1 3.39Å; N77-Y92 PolarHBondContact O-N 3.42Å; Y79-Y92 HydrophobicContact CD1-CE1 4.03Å; Y79-Y92 AromaticContact CE1-CE1 3.83Å; Y79-Y92 HydrophobicContact CE1-CE1 3.83Å; Y92-T94 VanDerWaalsContact C-N 3.29Å; Y92-T94 PolarHBondContact O-N 2.96Å; Y92-L95 VanDerWaalsContact O-CB 3.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.44Å; Y92-L95 PolarHBondContact O-N 3.14Å; Y92-L96 PolarHBondContact O-N 3.16Å
93	D	81	Confident	81.4	Confident	79 Å²	79	72.7 Å²	72.7	42%	0.422	36%	0.359	S	S	.	.	H	α-helix	trans	-56.7	-43.3	177.5	-168.8	17.1	0	0	0	113.1	F67 L95 L96 A97	F67-D93 HydrophobicContact CD2-CB 4.42Å; F67-D93 HydrophobicContact CE1-CB 4.15Å; F67-D93 HydrophobicContact CE2-CB 3.36Å; F67-D93 VanDerWaalsContact CE2-CG 3.43Å; F67-D93 WeakPolarHBondContact CE2-OD1 3.43Å; F67-D93 HydrophobicContact CZ-CB 3.21Å; F67-D93 VanDerWaalsContact CZ-OD1 3.27Å; F67-D93 WeakPolarHBondContact CZ-OD1 3.43Å; D93-L95 PolarHBondContact O-N 3.47Å; D93-L95 VanDerWaalsContact O-N 3.14Å; D93-L96 CarbonylContact O-C 3.52Å; D93-L96 WeakPolarHBondContact O-CA 3.45Å; D93-L96 WeakPolarHBondContact O-CB 3.45Å; D93-L96 PolarHBondContact O-N 3.39Å; D93-A97 PolarHBondContact O-N 3.37Å
94	T	82.8	Confident	81.3	Confident	37 Å²	37	75 Å²	75	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-29.1	178.9	57.1	0	0	0	0	112.9	H75 S76 Y92 K98	H75-T94 PolarHBondContact O-OG1 3.39Å; S76-T94 WeakPolarHBondContact CA-OG1 3.4Å; S76-T94 PolarHBondContact N-OG1 3.03Å; Y92-T94 VanDerWaalsContact C-N 3.29Å; Y92-T94 PolarHBondContact O-N 2.96Å; T94-K98 WeakPolarHBondContact O-CB 2.92Å; T94-K98 VanDerWaalsContact O-CG 3.28Å; T94-K98 WeakPolarHBondContact O-CG 3.31Å; T94-K98 PolarHBondContact O-N 3.39Å; T94-K98 VanDerWaalsContact O-N 3.14Å
95	L	83.1	Confident	81.6	Confident	53 Å²	53	67.3 Å²	67.3	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-69.7	-47.4	174.5	-166.3	156.6	0	0	0	109.9	S76 A78 Y92 D93 A97 K98 Y99	S76-L95 VanDerWaalsContact OG-CA 3.25Å; S76-L95 WeakPolarHBondContact OG-CA 3.34Å; S76-L95 WeakPolarHBondContact OG-CB 3.23Å; S76-L95 WeakPolarHBondContact OG-CG 3.42Å; A78-L95 HydrophobicContact CB-CD1 3.86Å; Y92-L95 VanDerWaalsContact O-CB 3.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.44Å; Y92-L95 PolarHBondContact O-N 3.14Å; D93-L95 PolarHBondContact O-N 3.47Å; D93-L95 VanDerWaalsContact O-N 3.14Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.46Å; L95-K98 PolarHBondContact O-N 2.92Å; L95-Y99 PolarHBondContact O-N 2.93Å
96	L	80.7	Confident	81.7	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-39.6	178.8	-174	61	0	0	0	111.8	L42 L47 F67 Y92 D93 Y99 K100	L42-L96 HydrophobicContact CD1-CD2 4.49Å; L47-L96 HydrophobicContact CD2-CD1 3.19Å; F67-L96 HydrophobicContact CD2-CD2 4.39Å; F67-L96 HydrophobicContact CE2-CD2 4.23Å; Y92-L96 PolarHBondContact O-N 3.16Å; D93-L96 CarbonylContact O-C 3.52Å; D93-L96 WeakPolarHBondContact O-CA 3.45Å; D93-L96 WeakPolarHBondContact O-CB 3.45Å; D93-L96 PolarHBondContact O-N 3.39Å; L96-Y99 PolarHBondContact O-N 3.11Å; L96-K100 WeakPolarHBondContact O-CG 3.38Å; L96-K100 PolarHBondContact O-N 3.11Å
97	A	81.9	Confident	81.6	Confident	54 Å²	54	64.7 Å²	64.7	45%	0.446	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-45.3	174.8	0	0	0	0	0	111.8	D93 L95 K100 A101	D93-A97 PolarHBondContact O-N 3.37Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.46Å; A97-K100 PolarHBondContact O-N 2.92Å; A97-A101 PolarHBondContact O-N 3.25Å
98	K	83.9	Confident	81.2	Confident	132 Å²	132	67.2 Å²	67.2	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-63.9	-41.9	175.6	-75.5	178	179.5	-171.6	0	112.5	T94 L95 A101 N102	T94-K98 WeakPolarHBondContact O-CB 2.92Å; T94-K98 VanDerWaalsContact O-CG 3.28Å; T94-K98 WeakPolarHBondContact O-CG 3.31Å; T94-K98 PolarHBondContact O-N 3.39Å; T94-K98 VanDerWaalsContact O-N 3.14Å; L95-K98 PolarHBondContact O-N 2.92Å; K98-A101 PolarHBondContact O-N 2.95Å; K98-N102 PolarHBondContact O-N 3.26Å
99	Y	83.5	Confident	80.6	Confident	77 Å²	77	71.7 Å²	71.7	30%	0.302	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-48.9	176.2	176.7	-91.6	0	0	0	111.3	L47 E50 L95 L96 A101 N102 E103	L47-Y99 HydrophobicContact CB-CE1 4.44Å; L47-Y99 HydrophobicContact CD1-CD1 4.39Å; L47-Y99 HydrophobicContact CD1-CE1 3.97Å; L47-Y99 HydrophobicContact CD1-CE2 4.29Å; L47-Y99 HydrophobicContact CD2-CD1 4.49Å; E50-Y99 PolarHBondContact OE2-OH 3.38Å; L95-Y99 PolarHBondContact O-N 2.93Å; L96-Y99 PolarHBondContact O-N 3.11Å; Y99-A101 VanDerWaalsContact C-N 3.28Å; Y99-A101 PolarHBondContact O-N 3.22Å; Y99-N102 PolarHBondContact O-N 2.96Å; Y99-E103 WeakPolarHBondContact O-CB 3.42Å; Y99-E103 PolarHBondContact O-N 3.39Å
100	K	83.4	Confident	79.5	Confident	111 Å²	111	78.4 Å²	78.4	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-60.8	-35.8	176.6	-73.3	176.2	180	176.9	0	112.9	L96 A97 K104	L96-K100 WeakPolarHBondContact O-CG 3.38Å; L96-K100 PolarHBondContact O-N 3.11Å; A97-K100 PolarHBondContact O-N 2.92Å; K100-K104 WeakPolarHBondContact O-CG 3.48Å; K100-K104 PolarHBondContact O-N 3.46Å
101	A	83.2	Confident	78.2	Confident	59 Å²	59	81.5 Å²	81.5	49%	0.488	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-42.7	175.9	0	0	0	0	0	111.8	A97 K98 Y99 A105	A97-A101 PolarHBondContact O-N 3.25Å; K98-A101 PolarHBondContact O-N 2.95Å; Y99-A101 VanDerWaalsContact C-N 3.28Å; Y99-A101 PolarHBondContact O-N 3.22Å; A101-A105 PolarHBondContact O-N 3.48Å
102	N	84.6	Confident	76.6	Confident	114 Å²	114	88.8 Å²	88.8	61%	0.61	47%	0.465	S	S	*	.	H	α-helix	trans	-68.6	-39.7	176.7	-172.1	-82.9	0	0	0	112.5	K98 Y99 K104 A105 S106	K98-N102 PolarHBondContact O-N 3.26Å; Y99-N102 PolarHBondContact O-N 2.96Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.05Å; N102-A105 PolarHBondContact O-N 3.08Å; N102-S106 PolarHBondContact O-N 3.21Å
103	E	81.3	Confident	74.3	Confident	57 Å²	57	99.6 Å²	99.6	27%	0.266	51%	0.512	S	S	.	.	H	α-helix	trans	-60	-39.9	176.6	-167.8	-161.9	143.9	0	0	111.8	Y99 K107	Y99-E103 WeakPolarHBondContact O-CB 3.42Å; Y99-E103 PolarHBondContact O-N 3.39Å; E103-K107 WeakPolarHBondContact O-CG 3.45Å; E103-K107 PolarHBondContact O-N 3.07Å; E103-K107 VanDerWaalsContact O-N 3.17Å; E103-K107 IonicContact OE1-NZ 2.66Å; E103-K107 PolarHBondContact OE1-NZ 3.38Å
104	K	78.5	Confident	73.9	Confident	144 Å²	144	100.6 Å²	100.6	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-49.5	174	-73.2	-178.5	179.5	-169.2	0	111.8	K100 N102 S106 K107 D108	K100-K104 WeakPolarHBondContact O-CG 3.48Å; K100-K104 PolarHBondContact O-N 3.46Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.05Å; K104-S106 VanDerWaalsContact C-N 3.3Å; K104-S106 PolarHBondContact O-N 3.43Å; K104-K107 WeakPolarHBondContact O-CB 2.99Å; K104-K107 PolarHBondContact O-N 3.01Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.49Å
105	A	79.5	Confident	73.5	Confident	49 Å²	49	103.9 Å²	103.9	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-57.7	-40.9	178	0	0	0	0	0	112.5	A101 N102 K107 D108 E109	A101-A105 PolarHBondContact O-N 3.48Å; N102-A105 PolarHBondContact O-N 3.08Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.05Å; A105-D108 PolarHBondContact O-N 3.04Å; A105-E109 PolarHBondContact O-N 3.46Å; A105-E109 VanDerWaalsContact O-N 3.11Å
106	S	74.2	Confident	72.9	Confident	46 Å²	46	106.8 Å²	106.8	32%	0.322	55%	0.546	S	S	.	.	H	α-helix	trans	-68.7	-26.8	176	177	0	0	0	0	113.7	N102 K104 K110	N102-S106 PolarHBondContact O-N 3.21Å; K104-S106 VanDerWaalsContact C-N 3.3Å; K104-S106 PolarHBondContact O-N 3.43Å; S106-K110 PolarHBondContact O-N 3.32Å
107	K	73.8	Confident	72.5	Confident	119 Å²	119	112.1 Å²	112.1	52%	0.517	57%	0.573	S	S	.	*	H	α-helix	trans	-76	-38.1	175.2	-78.1	172.7	175	172.6	0	110.8	E103 K104 A105 K110 G111	E103-K107 WeakPolarHBondContact O-CG 3.45Å; E103-K107 PolarHBondContact O-N 3.07Å; E103-K107 VanDerWaalsContact O-N 3.17Å; E103-K107 IonicContact OE1-NZ 2.66Å; E103-K107 PolarHBondContact OE1-NZ 3.38Å; K104-K107 WeakPolarHBondContact O-CB 2.99Å; K104-K107 PolarHBondContact O-N 3.01Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.05Å; K107-K110 PolarHBondContact O-N 3.19Å; K107-G111 PolarHBondContact O-N 3.48Å; K107-G111 VanDerWaalsContact O-N 3.15Å
108	D	73	Confident	71.9	Confident	117 Å²	117	115.7 Å²	115.7	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-43.7	177.2	-59.7	-25.4	0	0	0	110.8	K104 A105 K110 G111	K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.49Å; A105-D108 PolarHBondContact O-N 3.04Å; D108-K110 VanDerWaalsContact C-N 3.29Å; D108-K110 PolarHBondContact O-N 2.96Å; D108-G111 PolarHBondContact O-N 3.19Å
109	E	68.4	Low	71.1	Confident	160 Å²	160	114.6 Å²	114.6	75%	0.748	58%	0.582	S	S	*	*	H	α-helix	trans	-66	-26.1	176.4	-72.8	-176.4	173.6	0	0	114.3	A105	A105-E109 PolarHBondContact O-N 3.46Å; A105-E109 VanDerWaalsContact O-N 3.11Å
110	K	60.4	Low	70.2	Confident	166 Å²	166	117.3 Å²	117.3	72%	0.722	60%	0.602	S	S	*	*	H	α-helix	trans	-88.9	-12	177.9	-77.9	179.2	-179.4	172.1	0	113.5	S106 K107 D108	S106-K110 PolarHBondContact O-N 3.32Å; K107-K110 PolarHBondContact O-N 3.19Å; D108-K110 VanDerWaalsContact C-N 3.29Å; D108-K110 PolarHBondContact O-N 2.96Å
111	G	55.6	Low	69.2	Low	64 Å²	64	117.8 Å²	117.8	66%	0.66	61%	0.611	S	S	*	*	S	Bend	trans	-92	-2.4	-179.8	0	0	0	0	0	115.1	K107 D108	K107-G111 PolarHBondContact O-N 3.48Å; K107-G111 VanDerWaalsContact O-N 3.15Å; D108-G111 PolarHBondContact O-N 3.19Å
112	E	49.7	Very low	68	Low	176 Å²	176	122.7 Å²	122.7	82%	0.822	62%	0.621	S	S	*	*			trans	-104.2	27.3	-179.1	-154.8	170	163.6	0	0	113.4
113	K	37.2	Very low	66.5	Low	260 Å²	260	123.5 Å²	123.5	100%	1.13	62%	0.622	S	S	*	*			trans	-132.8	0	166.9	-69.8	-170.9	-179.6	-176.4	0	110.4

Retrieved 113 of 113 residues in 95 ms (Link to these results)

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