A0A3Q0KPU2_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 133 aa.

						>A0A3Q0KPU2_SCHMA|A0A3Q0KPU2
MRYKYSLFINHDFSILSTVHWLFSSLILLLMLTIQTKGYVYNNGVLIQGLKFTEPCPERGYDFNDPTGNFMCVVPTPKECFSLCQNMGCTEWNHMNLIPSGSEEVKRYHRCRCFPEYNMCFYNYVPKIHRNFD
					

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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	57.2	Low	57.5	Low	207 Å²	207	149.3 Å²	149.3	100%	1.02	68%	0.68	S	S	*	*				0	-37.7	0	-80.9	177.2	-172.4	0	0	114.2	Y3 K4	M1-Y3 PolarHBondContact O-N 3.33Å; M1-K4 PolarHBondContact O-N 3.31Å
2	R	54.4	Low	58.2	Low	231 Å²	231	144.9 Å²	144.9	87%	0.872	67%	0.667	S	S	*	*	H	α-helix	trans	-55.3	-40.5	-176.9	-114.4	178.6	-173.5	178.1	1.7	116.1	K4 S6	R2-K4 PolarHBondContact O-N 3.15Å; R2-S6 PolarHBondContact O-N 3.07Å
3	Y	53.9	Low	58.6	Low	212 Å²	212	145.6 Å²	145.6	83%	0.831	67%	0.667	S	S	*	*	H	α-helix	trans	-67.2	-33.7	-178.2	-86.7	-87.4	0	0	0	114.2	M1 L7	M1-Y3 PolarHBondContact O-N 3.33Å; Y3-L7 PolarHBondContact O-N 3.38Å
4	K	56.5	Low	59.8	Low	161 Å²	161	140.1 Å²	140.1	70%	0.7	65%	0.654	S	S	*	*	H	α-helix	trans	-66	-45.9	178.1	-82.5	-172.6	173.7	-175.3	0	111.2	M1 R2 S6 L7 F8	M1-K4 PolarHBondContact O-N 3.31Å; R2-K4 PolarHBondContact O-N 3.15Å; K4-S6 VanDerWaalsContact C-N 3.34Å; K4-S6 PolarHBondContact O-N 3.31Å; K4-L7 PolarHBondContact O-N 3.47Å; K4-L7 VanDerWaalsContact O-N 3.15Å; K4-F8 VanDerWaalsContact O-CD2 3.26Å; K4-F8 WeakPolarHBondContact O-CD2 3.37Å; K4-F8 PolarHBondContact O-N 3.44Å; K4-F8 VanDerWaalsContact O-N 3.07Å
5	Y	56.4	Low	61	Low	166 Å²	166	136.3 Å²	136.3	65%	0.651	64%	0.639	S	S	*	*	H	α-helix	trans	-59.5	-41.8	179.9	-81.3	-84.3	0	0	0	113	L7 F8 I9	Y5-L7 VanDerWaalsContact C-N 3.31Å; Y5-L7 PolarHBondContact O-N 3.45Å; Y5-F8 PolarHBondContact O-N 3.44Å; Y5-I9 WeakPolarHBondContact O-CG1 3.27Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.11Å
6	S	57.7	Low	62.1	Low	65 Å²	65	134 Å²	134	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-66.4	-34	178	-164.4	0	0	0	0	112.5	R2 K4 N10	R2-S6 PolarHBondContact O-N 3.07Å; K4-S6 VanDerWaalsContact C-N 3.34Å; K4-S6 PolarHBondContact O-N 3.31Å; S6-N10 WeakPolarHBondContact O-CB 3.45Å; S6-N10 VanDerWaalsContact O-CG 3.25Å; S6-N10 PolarHBondContact O-N 3.39Å; S6-N10 PolarHBondContact O-ND2 3.27Å; S6-N10 VanDerWaalsContact O-ND2 3.15Å
7	L	58.7	Low	63.3	Low	128 Å²	128	129 Å²	129	67%	0.67	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-41.5	177.3	-138.9	101.8	0	0	0	111.5	Y3 K4 Y5 N10 H11	Y3-L7 PolarHBondContact O-N 3.38Å; K4-L7 PolarHBondContact O-N 3.47Å; K4-L7 VanDerWaalsContact O-N 3.15Å; Y5-L7 VanDerWaalsContact C-N 3.31Å; Y5-L7 PolarHBondContact O-N 3.45Å; L7-N10 PolarHBondContact O-N 2.96Å; L7-H11 WeakPolarHBondContact O-CB 3.26Å; L7-H11 PolarHBondContact O-N 3.4Å
8	F	58.1	Low	64.3	Low	135 Å²	135	125.9 Å²	125.9	59%	0.592	61%	0.606	S	S	*	*	H	α-helix	trans	-61.5	-47.6	176.4	-86.8	-78.7	0	0	0	111.8	K4 Y5 N10 H11 D12	K4-F8 VanDerWaalsContact O-CD2 3.26Å; K4-F8 WeakPolarHBondContact O-CD2 3.37Å; K4-F8 PolarHBondContact O-N 3.44Å; K4-F8 VanDerWaalsContact O-N 3.07Å; Y5-F8 PolarHBondContact O-N 3.44Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.01Å; F8-H11 PolarHBondContact O-N 3.18Å; F8-H11 VanDerWaalsContact O-N 3.16Å; F8-D12 PolarHBondContact O-N 3.11Å
9	I	60.4	Low	65.5	Low	114 Å²	114	122.4 Å²	122.4	59%	0.585	59%	0.593	S	S	*	*	H	α-helix	trans	-61.7	-42.4	178.9	-64.7	166.8	0	0	0	111.3	Y5 H11 D12 F13	Y5-I9 WeakPolarHBondContact O-CG1 3.27Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.11Å; I9-H11 VanDerWaalsContact C-N 3.33Å; I9-H11 PolarHBondContact O-N 2.86Å; I9-D12 PolarHBondContact O-N 3.19Å; I9-F13 WeakPolarHBondContact O-CB 3.37Å; I9-F13 PolarHBondContact O-N 2.87Å
10	N	59.6	Low	66.6	Low	105 Å²	105	122.4 Å²	122.4	56%	0.561	59%	0.591	S	S	*	*	H	α-helix	trans	-64.9	-38	177	-73.6	-25.6	0	0	0	112	S6 L7 F8 S14	S6-N10 WeakPolarHBondContact O-CB 3.45Å; S6-N10 VanDerWaalsContact O-CG 3.25Å; S6-N10 PolarHBondContact O-N 3.39Å; S6-N10 PolarHBondContact O-ND2 3.27Å; S6-N10 VanDerWaalsContact O-ND2 3.15Å; L7-N10 PolarHBondContact O-N 2.96Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 3.01Å; N10-S14 WeakPolarHBondContact O-CB 3.27Å; N10-S14 PolarHBondContact O-N 3.49Å
11	H	59.7	Low	67.6	Low	118 Å²	118	125.5 Å²	125.5	55%	0.546	60%	0.597	S	S	.	*	H	α-helix	trans	-70.2	-42.6	178.2	-159.3	-79.8	0	0	0	111.8	L7 F8 I9 S14 I15	L7-H11 WeakPolarHBondContact O-CB 3.26Å; L7-H11 PolarHBondContact O-N 3.4Å; F8-H11 PolarHBondContact O-N 3.18Å; F8-H11 VanDerWaalsContact O-N 3.16Å; I9-H11 VanDerWaalsContact C-N 3.33Å; I9-H11 PolarHBondContact O-N 2.86Å; H11-S14 WeakPolarHBondContact O-CB 3.35Å; H11-S14 PolarHBondContact O-N 2.93Å; H11-I15 VanDerWaalsContact ND1-CD1 3.27Å; H11-I15 WeakPolarHBondContact ND1-CD1 3.33Å; H11-I15 WeakPolarHBondContact O-CG1 3.44Å; H11-I15 PolarHBondContact O-N 3.49Å
12	D	65.7	Low	69.2	Low	97 Å²	97	121 Å²	121	52%	0.519	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-40.9	177	-71	-25.8	0	0	0	111.6	F8 I9 I15 L16	F8-D12 PolarHBondContact O-N 3.11Å; I9-D12 PolarHBondContact O-N 3.19Å; D12-I15 PolarHBondContact O-N 2.97Å; D12-L16 WeakPolarHBondContact O-CB 3.24Å; D12-L16 PolarHBondContact O-N 2.98Å
13	F	63.5	Low	70.9	Confident	154 Å²	154	116 Å²	116	68%	0.675	56%	0.561	S	S	*	*	H	α-helix	trans	-64.7	-39.6	174.8	-165.4	-93.9	0	0	0	112	I9 S17	I9-F13 WeakPolarHBondContact O-CB 3.37Å; I9-F13 PolarHBondContact O-N 2.87Å; F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 3.17Å
14	S	75.8	Confident	72.6	Confident	69 Å²	69	109.1 Å²	109.1	48%	0.483	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-47	174.5	-172.2	0	0	0	0	111.5	N10 H11 S17 T18	N10-S14 WeakPolarHBondContact O-CB 3.27Å; N10-S14 PolarHBondContact O-N 3.49Å; H11-S14 WeakPolarHBondContact O-CB 3.35Å; H11-S14 PolarHBondContact O-N 2.93Å; S14-S17 PolarHBondContact O-N 3.37Å; S14-T18 PolarHBondContact O-N 3.37Å; S14-T18 PolarHBondContact O-OG1 2.89Å
15	I	77	Confident	74.2	Confident	82 Å²	82	104.4 Å²	104.4	42%	0.421	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-48.3	179.3	-66.6	166.4	0	0	0	110.4	H11 D12 S17 T18 V19	H11-I15 VanDerWaalsContact ND1-CD1 3.27Å; H11-I15 WeakPolarHBondContact ND1-CD1 3.33Å; H11-I15 WeakPolarHBondContact O-CG1 3.44Å; H11-I15 PolarHBondContact O-N 3.49Å; D12-I15 PolarHBondContact O-N 2.97Å; I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 3.38Å; I15-T18 PolarHBondContact O-N 3.45Å; I15-V19 HydrophobicContact CG2-CG2 4.17Å; I15-V19 WeakPolarHBondContact O-CB 3.5Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 3.45Å
16	L	79.5	Confident	75.9	Confident	100 Å²	100	102 Å²	102	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-60.5	-41.3	-179.6	-175.4	63.8	0	0	0	111.4	D12 V19 H20	D12-L16 WeakPolarHBondContact O-CB 3.24Å; D12-L16 PolarHBondContact O-N 2.98Å; L16-V19 PolarHBondContact O-N 3.48Å; L16-H20 PolarHBondContact O-CD2 2.93Å; L16-H20 PolarHBondContact O-N 3.15Å
17	S	82	Confident	77.4	Confident	49 Å²	49	103.7 Å²	103.7	34%	0.343	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-49.6	174.3	-175	0	0	0	0	111.4	F13 S14 I15 V19 H20 W21	F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 3.17Å; S14-S17 PolarHBondContact O-N 3.37Å; I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 3.38Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.3Å; S17-H20 WeakPolarHBondContact O-CB 3.39Å; S17-H20 PolarHBondContact O-N 3.07Å; S17-H20 VanDerWaalsContact O-N 3.17Å; S17-W21 PolarHBondContact O-N 2.93Å
18	T	81.9	Confident	78.9	Confident	74 Å²	74	103 Å²	103	45%	0.454	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-42	178.6	-53.1	0	0	0	0	111.8	S14 I15 W21 L22	S14-T18 PolarHBondContact O-N 3.37Å; S14-T18 PolarHBondContact O-OG1 2.89Å; I15-T18 PolarHBondContact O-N 3.45Å; T18-W21 PolarHBondContact O-N 3.23Å; T18-L22 HydrophobicContact CG2-CD1 4.29Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.42Å
19	V	87.3	Confident	80.3	Confident	59 Å²	59	101.5 Å²	101.5	36%	0.358	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-45	176.2	172.6	0	0	0	0	110.8	I15 L16 S17 W21 L22 F23	I15-V19 HydrophobicContact CG2-CG2 4.17Å; I15-V19 WeakPolarHBondContact O-CB 3.5Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 3.45Å; L16-V19 PolarHBondContact O-N 3.48Å; S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.3Å; V19-W21 VanDerWaalsContact C-N 3.34Å; V19-W21 PolarHBondContact O-N 3.45Å; V19-L22 PolarHBondContact O-N 3.32Å; V19-F23 HydrophobicContact CG1-CD2 3.61Å; V19-F23 HydrophobicContact CG1-CE2 3.63Å; V19-F23 WeakPolarHBondContact O-CD2 3.34Å; V19-F23 PolarHBondContact O-N 2.96Å
20	H	85.8	Confident	81.5	Confident	122 Å²	122	101.1 Å²	101.1	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-40.4	175.2	-98.3	-82.4	0	0	0	113.3	L16 S17 S24	L16-H20 PolarHBondContact O-CD2 2.93Å; L16-H20 PolarHBondContact O-N 3.15Å; S17-H20 WeakPolarHBondContact O-CB 3.39Å; S17-H20 PolarHBondContact O-N 3.07Å; S17-H20 VanDerWaalsContact O-N 3.17Å; H20-S24 WeakPolarHBondContact O-CB 3.38Å; H20-S24 PolarHBondContact O-N 3.46Å; H20-S24 PolarHBondContact O-OG 3.38Å
21	W	88.3	Confident	82.6	Confident	187 Å²	187	101.6 Å²	101.6	71%	0.708	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-42.2	175.3	-80.3	108.3	0	0	0	111.9	S17 T18 V19 S24 S25	S17-W21 PolarHBondContact O-N 2.93Å; T18-W21 PolarHBondContact O-N 3.23Å; V19-W21 VanDerWaalsContact C-N 3.34Å; V19-W21 PolarHBondContact O-N 3.45Å; W21-S24 PolarHBondContact O-N 2.94Å; W21-S25 VanDerWaalsContact O-CB 3.32Å; W21-S25 WeakPolarHBondContact O-CB 3.31Å; W21-S25 PolarHBondContact O-N 2.92Å
22	L	89.9	Confident	83.5	Confident	114 Å²	114	100.9 Å²	100.9	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-44.7	177.2	-69.8	173	0	0	0	112	T18 V19 S25 L26	T18-L22 HydrophobicContact CG2-CD1 4.29Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.42Å; V19-L22 PolarHBondContact O-N 3.32Å; L22-S25 PolarHBondContact O-N 3.38Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 2.99Å
23	F	90.6	Very high	84	Confident	125 Å²	125	99.4 Å²	99.4	55%	0.548	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175.8	-88	-76	0	0	0	112	V19 S25 L26 I27	V19-F23 HydrophobicContact CG1-CD2 3.61Å; V19-F23 HydrophobicContact CG1-CE2 3.63Å; V19-F23 WeakPolarHBondContact O-CD2 3.34Å; V19-F23 PolarHBondContact O-N 2.96Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 3.28Å; F23-L26 PolarHBondContact O-N 2.96Å; F23-I27 WeakPolarHBondContact O-CB 3.48Å; F23-I27 VanDerWaalsContact O-CG1 3.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.32Å; F23-I27 PolarHBondContact O-N 2.94Å
24	S	90.5	Very high	84.4	Confident	67 Å²	67	96.9 Å²	96.9	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-42.4	176.5	-60.1	0	0	0	0	111.8	H20 W21 I27 L28	H20-S24 WeakPolarHBondContact O-CB 3.38Å; H20-S24 PolarHBondContact O-N 3.46Å; H20-S24 PolarHBondContact O-OG 3.38Å; W21-S24 PolarHBondContact O-N 2.94Å; S24-I27 PolarHBondContact O-N 3.31Å; S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 2.9Å
25	S	89.6	Confident	83.8	Confident	63 Å²	63	101 Å²	101	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-43.3	176	-178.6	0	0	0	0	112.1	W21 L22 F23 L28 L29	W21-S25 VanDerWaalsContact O-CB 3.32Å; W21-S25 WeakPolarHBondContact O-CB 3.31Å; W21-S25 PolarHBondContact O-N 2.92Å; L22-S25 PolarHBondContact O-N 3.38Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 3.28Å; S25-L28 PolarHBondContact O-N 2.91Å; S25-L29 WeakPolarHBondContact O-CD1 3.45Å; S25-L29 PolarHBondContact O-N 2.8Å
26	L	91.5	Very high	83	Confident	115 Å²	115	101.4 Å²	101.4	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-42.7	177.5	-175	67	0	0	0	111.9	L22 F23 L28 L29 L30	L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 PolarHBondContact O-N 2.99Å; F23-L26 PolarHBondContact O-N 2.96Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L29 PolarHBondContact O-N 2.89Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 3.29Å
27	I	90.1	Very high	81.9	Confident	101 Å²	101	104.3 Å²	104.3	52%	0.518	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.8	-68.9	165.5	0	0	0	110.3	F23 S24 L30 M31	F23-I27 WeakPolarHBondContact O-CB 3.48Å; F23-I27 VanDerWaalsContact O-CG1 3.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.32Å; F23-I27 PolarHBondContact O-N 2.94Å; S24-I27 PolarHBondContact O-N 3.31Å; I27-L30 PolarHBondContact O-N 3.49Å; I27-M31 HydrophobicContact CG2-CG 4.38Å; I27-M31 WeakPolarHBondContact O-CB 3.37Å; I27-M31 VanDerWaalsContact O-CG 3.3Å; I27-M31 WeakPolarHBondContact O-CG 3.32Å; I27-M31 PolarHBondContact O-N 2.88Å
28	L	90.2	Very high	80.3	Confident	112 Å²	112	103.8 Å²	103.8	59%	0.586	54%	0.54	S	S	*	.	H	α-helix	trans	-63.3	-44.5	177.3	-174.5	64.5	0	0	0	111.8	S24 S25 L26 L30 M31 L32	S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 2.9Å; S25-L28 PolarHBondContact O-N 2.91Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.38Å; L28-M31 PolarHBondContact O-N 2.98Å; L28-L32 HydrophobicContact CG-CD1 4.2Å; L28-L32 WeakPolarHBondContact O-CD1 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.98Å
29	L	87.6	Confident	79	Confident	104 Å²	104	106 Å²	106	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-60.1	-44.7	173.7	-103.5	99.6	0	0	0	111.6	S25 L26 M31 L32 T33	S25-L29 WeakPolarHBondContact O-CD1 3.45Å; S25-L29 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 2.89Å; L29-M31 PolarHBondContact O-N 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.5Å; L29-L32 PolarHBondContact O-N 3.29Å; L29-T33 WeakPolarHBondContact O-CG2 3.22Å; L29-T33 PolarHBondContact O-N 2.97Å
30	L	85.7	Confident	77.3	Confident	107 Å²	107	108.2 Å²	108.2	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-61.7	-46.1	179.3	-170.5	69.6	0	0	0	110.8	L26 I27 L28 L32 T33 I34	L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 3.29Å; I27-L30 PolarHBondContact O-N 3.49Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.38Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.38Å; L30-T33 PolarHBondContact O-N 3.07Å; L30-T33 VanDerWaalsContact O-N 3.12Å; L30-T33 PolarHBondContact O-OG1 3.35Å; L30-I34 HydrophobicContact CG-CD1 4.17Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.45Å
31	M	81.8	Confident	75.5	Confident	115 Å²	115	110.3 Å²	110.3	57%	0.567	56%	0.558	S	S	*	*	H	α-helix	trans	-58.9	-43.4	176	-73.4	-66.1	-134	0	0	112.1	I27 L28 L29 T33 I34 Q35	I27-M31 HydrophobicContact CG2-CG 4.38Å; I27-M31 WeakPolarHBondContact O-CB 3.37Å; I27-M31 VanDerWaalsContact O-CG 3.3Å; I27-M31 WeakPolarHBondContact O-CG 3.32Å; I27-M31 PolarHBondContact O-N 2.88Å; L28-M31 PolarHBondContact O-N 2.98Å; L29-M31 PolarHBondContact O-N 3.49Å; M31-T33 VanDerWaalsContact C-N 3.32Å; M31-T33 PolarHBondContact O-N 3.12Å; M31-I34 PolarHBondContact O-N 3.42Å; M31-Q35 PolarHBondContact O-N 3.05Å
32	L	78.7	Confident	73.6	Confident	103 Å²	103	106.4 Å²	106.4	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-40.3	174.7	-77.1	158.6	0	0	0	111.9	L28 L29 L30 T36	L28-L32 HydrophobicContact CG-CD1 4.2Å; L28-L32 WeakPolarHBondContact O-CD1 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.98Å; L29-L32 WeakPolarHBondContact O-CB 3.5Å; L29-L32 PolarHBondContact O-N 3.29Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.38Å; L32-T36 WeakPolarHBondContact O-CG2 3.3Å; L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.74Å
33	T	75.8	Confident	71.9	Confident	66 Å²	66	103.4 Å²	103.4	41%	0.405	54%	0.536	S	S	.	.	H	α-helix	trans	-70.7	-29.9	178.9	68.1	0	0	0	0	113.6	L29 L30 M31 T36	L29-T33 WeakPolarHBondContact O-CG2 3.22Å; L29-T33 PolarHBondContact O-N 2.97Å; L30-T33 PolarHBondContact O-N 3.07Å; L30-T33 VanDerWaalsContact O-N 3.12Å; L30-T33 PolarHBondContact O-OG1 3.35Å; M31-T33 VanDerWaalsContact C-N 3.32Å; M31-T33 PolarHBondContact O-N 3.12Å; T33-T36 PolarHBondContact O-OG1 3.43Å; T33-T36 VanDerWaalsContact O-OG1 3.07Å
34	I	72.7	Confident	70.4	Confident	100 Å²	100	99.1 Å²	99.1	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-72.9	-43.2	178.7	-66.2	165.4	0	0	0	110.5	L30 M31 T36 K37	L30-I34 HydrophobicContact CG-CD1 4.17Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.45Å; M31-I34 PolarHBondContact O-N 3.42Å; I34-T36 VanDerWaalsContact C-N 3.35Å; I34-T36 PolarHBondContact O-N 3.47Å; I34-K37 PolarHBondContact O-N 3.41Å
35	Q	64.2	Low	69	Low	156 Å²	156	99 Å²	99	73%	0.729	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-36.3	-178.1	-67.9	-160.7	-9.2	0	0	113.1	M31 Y39	M31-Q35 PolarHBondContact O-N 3.05Å; Q35-Y39 PolarHBondContact O-N 3.22Å
36	T	60	Low	68.2	Low	90 Å²	90	98.9 Å²	98.9	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-35.8	-179	51.4	0	0	0	0	113.4	L32 T33 I34	L32-T36 WeakPolarHBondContact O-CG2 3.3Å; L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.74Å; T33-T36 PolarHBondContact O-OG1 3.43Å; T33-T36 VanDerWaalsContact O-OG1 3.07Å; I34-T36 VanDerWaalsContact C-N 3.35Å; I34-T36 PolarHBondContact O-N 3.47Å
37	K	54.9	Low	67.9	Low	162 Å²	162	94 Å²	94	70%	0.704	49%	0.492	S	S	*	.	H	α-helix	trans	-68.6	-41.6	178.7	-71.9	-174.9	178.6	-177.8	0	112.8	I34 Y39 V40 Y41	I34-K37 PolarHBondContact O-N 3.41Å; K37-Y39 VanDerWaalsContact C-N 3.26Å; K37-Y39 PolarHBondContact O-N 3.39Å; K37-V40 PolarHBondContact O-N 3.36Å; K37-Y41 PolarHBondContact O-N 3.09Å
38	G	49.8	Very low	67.6	Low	37 Å²	37	96.1 Å²	96.1	38%	0.381	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-36	178.2	0	0	0	0	0	112.8	N42	G38-N42 PolarHBondContact O-N 3.48Å; G38-N42 VanDerWaalsContact O-N 3.09Å
39	Y	53.3	Low	67.5	Low	121 Å²	121	94.2 Å²	94.2	48%	0.475	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-50.6	178.7	177.1	-97.1	0	0	0	113	Q35 K37 Y41 N42 N43 M95	Q35-Y39 PolarHBondContact O-N 3.22Å; K37-Y39 VanDerWaalsContact C-N 3.26Å; K37-Y39 PolarHBondContact O-N 3.39Å; Y39-Y41 VanDerWaalsContact C-N 3.27Å; Y39-Y41 PolarHBondContact O-N 3.16Å; Y39-N42 PolarHBondContact O-N 3.22Å; Y39-N43 PolarHBondContact O-N 3.47Å; Y39-M95 HydrophobicContact CE2-CE 3.98Å
40	V	52.7	Low	67.7	Low	106 Å²	106	90.6 Å²	90.6	64%	0.642	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-37.7	-179.2	179.5	0	0	0	0	110.7	K37 G44	K37-V40 PolarHBondContact O-N 3.36Å; V40-G44 PolarHBondContact O-N 3.37Å
41	Y	46.9	Very low	68.2	Low	165 Å²	165	90 Å²	90	65%	0.647	48%	0.481	S	S	*	.	H	α-helix	trans	-66.1	-47.5	179.7	-164.5	-99.7	0	0	0	112.1	K37 Y39 N43 G44 V45	K37-Y41 PolarHBondContact O-N 3.09Å; Y39-Y41 VanDerWaalsContact C-N 3.27Å; Y39-Y41 PolarHBondContact O-N 3.16Å; Y41-N43 PolarHBondContact O-N 3.42Å; Y41-G44 PolarHBondContact O-N 3.43Å; Y41-G44 VanDerWaalsContact O-N 3.16Å; Y41-V45 HydrophobicContact CD1-CG2 3.62Å; Y41-V45 HydrophobicContact CE1-CG2 3.36Å; Y41-V45 HydrophobicContact CE2-CG2 4.49Å; Y41-V45 HydrophobicContact CG-CG2 4.31Å; Y41-V45 VanDerWaalsContact O-CG2 3.31Å; Y41-V45 WeakPolarHBondContact O-CG2 3.34Å; Y41-V45 PolarHBondContact O-N 3.45Å
42	N	49.4	Very low	68.9	Low	105 Å²	105	84.6 Å²	84.6	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-40.2	-176.9	-90.1	-12.9	0	0	0	113.5	G38 Y39 G44 L46	G38-N42 PolarHBondContact O-N 3.48Å; G38-N42 VanDerWaalsContact O-N 3.09Å; Y39-N42 PolarHBondContact O-N 3.22Å; N42-G44 VanDerWaalsContact C-N 3.32Å; N42-G44 PolarHBondContact O-N 3.08Å; N42-L46 WeakPolarHBondContact O-CD1 3.41Å; N42-L46 WeakPolarHBondContact O-CG 3.46Å; N42-L46 PolarHBondContact O-N 2.98Å
43	N	53.3	Low	69.8	Low	52 Å²	52	82 Å²	82	28%	0.278	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-33.8	177.7	-87.5	-6.9	0	0	0	112.7	Y39 Y41	Y39-N43 PolarHBondContact O-N 3.47Å; Y41-N43 PolarHBondContact O-N 3.42Å
44	G	59.1	Low	70.8	Confident	34 Å²	34	84.6 Å²	84.6	35%	0.351	45%	0.45	S	S	.	.	H	α-helix	trans	-72.5	-42.2	177.4	0	0	0	0	0	113.3	V40 Y41 N42 L46 I47 Q48	V40-G44 PolarHBondContact O-N 3.37Å; Y41-G44 PolarHBondContact O-N 3.43Å; Y41-G44 VanDerWaalsContact O-N 3.16Å; N42-G44 VanDerWaalsContact C-N 3.32Å; N42-G44 PolarHBondContact O-N 3.08Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-I47 WeakPolarHBondContact O-CG1 3.33Å; G44-I47 PolarHBondContact O-N 3.18Å; G44-I47 VanDerWaalsContact O-N 3.12Å; G44-Q48 PolarHBondContact O-N 3.12Å
45	V	62.2	Low	72	Confident	65 Å²	65	82.7 Å²	82.7	39%	0.394	44%	0.444	S	S	.	.	H	α-helix	trans	-57.7	-37.7	178.5	172.7	0	0	0	0	111	Y41 I47 Q48	Y41-V45 HydrophobicContact CD1-CG2 3.62Å; Y41-V45 HydrophobicContact CE1-CG2 3.36Å; Y41-V45 HydrophobicContact CE2-CG2 4.49Å; Y41-V45 HydrophobicContact CG-CG2 4.31Å; Y41-V45 VanDerWaalsContact O-CG2 3.31Å; Y41-V45 WeakPolarHBondContact O-CG2 3.34Å; Y41-V45 PolarHBondContact O-N 3.45Å; V45-I47 VanDerWaalsContact C-N 3.26Å; V45-I47 PolarHBondContact O-N 3.25Å; V45-Q48 PolarHBondContact O-N 3.31Å
46	L	72.1	Confident	73.6	Confident	61 Å²	61	75.4 Å²	75.4	32%	0.319	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.3	-178.2	-68.4	166.8	0	0	0	115.2	N42 G44 R112	N42-L46 WeakPolarHBondContact O-CD1 3.41Å; N42-L46 WeakPolarHBondContact O-CG 3.46Å; N42-L46 PolarHBondContact O-N 2.98Å; G44-L46 PolarHBondContact O-N 3.26Å; L46-R112 VanDerWaalsContact CD1-NH1 3.29Å
47	I	85.4	Confident	75.4	Confident	12 Å²	12	74.5 Å²	74.5	6%	0.062	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-1	172.1	53.1	-178.4	0	0	0	113.4	G44 V45 G49 L50 F52 P126 H129	G44-I47 WeakPolarHBondContact O-CG1 3.33Å; G44-I47 PolarHBondContact O-N 3.18Å; G44-I47 VanDerWaalsContact O-N 3.12Å; V45-I47 VanDerWaalsContact C-N 3.26Å; V45-I47 PolarHBondContact O-N 3.25Å; I47-G49 PolarHBondContact O-N 3.14Å; I47-G49 VanDerWaalsContact O-N 3.17Å; I47-L50 WeakPolarHBondContact O-CB 3.32Å; I47-L50 PolarHBondContact O-N 3.01Å; I47-F52 HydrophobicContact CG2-CE2 3.96Å; I47-F52 HydrophobicContact CG2-CZ 4.23Å; I47-P126 HydrophobicContact CD1-CG 4.17Å; I47-H129 WeakPolarHBondContact CD1-CD2 3.29Å; I47-H129 PolarHBondContact O-CE1 3.3Å; I47-H129 PolarHBondContact O-ND1 2.52Å
48	Q	84.5	Confident	77.4	Confident	146 Å²	146	73.5 Å²	73.5	68%	0.682	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	124.8	-175.5	-167.2	171.4	1.6	0	0	110.1	G44 V45 L50	G44-Q48 PolarHBondContact O-N 3.12Å; V45-Q48 PolarHBondContact O-N 3.31Å; Q48-L50 PolarHBondContact O-N 2.73Å
49	G	86.7	Confident	79.6	Confident	72 Å²	72	77.9 Å²	77.9	74%	0.742	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-9.4	-175.6	0	0	0	0	0	115.4	I47	I47-G49 PolarHBondContact O-N 3.14Å; I47-G49 VanDerWaalsContact O-N 3.17Å
50	L	92.6	Very high	81.6	Confident	27 Å²	27	74 Å²	74	14%	0.141	41%	0.407	C	S	.	.			trans	-79.4	143.9	176	-58.2	-171	0	0	0	111.3	I47 Q48 F52 T67 M71 H129	I47-L50 WeakPolarHBondContact O-CB 3.32Å; I47-L50 PolarHBondContact O-N 3.01Å; Q48-L50 PolarHBondContact O-N 2.73Å; L50-F52 HydrophobicContact CB-CE2 3.92Å; L50-F52 HydrophobicContact CB-CZ 4.3Å; L50-F52 HydrophobicContact CD1-CE2 4.48Å; L50-F52 HydrophobicContact CD1-CZ 4.11Å; L50-T67 HydrophobicContact CD1-CG2 4.39Å; L50-T67 HydrophobicContact CD2-CG2 4.5Å; L50-M71 HydrophobicContact CB-CE 4.13Å; L50-M71 HydrophobicContact CD1-SD 4.44Å; L50-M71 HydrophobicContact CD2-CE 4.15Å; L50-H129 PolarHBondContact O-ND1 2.96Å; L50-H129 VanDerWaalsContact O-ND1 3.14Å
51	K	95.1	Very high	83.8	Confident	96 Å²	96	69.4 Å²	69.4	42%	0.417	38%	0.378	S	S	.	.			trans	-128.8	113.4	175.2	-69.7	-60.1	-161.3	162.7	0	109.8	I128 H129 N131	K51-I128 PolarHBondContact NZ-O 2.89Å; K51-H129 CarbonylContact C-O 3.56Å; K51-H129 WeakPolarHBondContact CA-O 3.28Å; K51-N131 WeakPolarHBondContact CB-ND2 3.41Å; K51-N131 VanDerWaalsContact CD-OD1 3.3Å; K51-N131 WeakPolarHBondContact CD-OD1 3.5Å; K51-N131 WeakPolarHBondContact CG-OD1 3.3Å
52	F	96.9	Very high	86.1	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-89.8	142	178.6	-61.1	-93.7	0	0	0	110.6	I47 L50 N69 F70 M71 V73 R110 V125 H129 R130 N131 F132	I47-F52 HydrophobicContact CG2-CE2 3.96Å; I47-F52 HydrophobicContact CG2-CZ 4.23Å; L50-F52 HydrophobicContact CB-CE2 3.92Å; L50-F52 HydrophobicContact CB-CZ 4.3Å; L50-F52 HydrophobicContact CD1-CE2 4.48Å; L50-F52 HydrophobicContact CD1-CZ 4.11Å; F52-N69 HydrophobicContact CE1-CB 4.2Å; F52-N69 HydrophobicContact CZ-CB 4.39Å; F52-F70 WeakPolarHBondContact CD1-O 3.5Å; F52-F70 VanDerWaalsContact CE1-O 3.25Å; F52-F70 WeakPolarHBondContact CE1-O 3.49Å; F52-M71 WeakPolarHBondContact CA-O 3.42Å; F52-M71 HydrophobicContact CE1-SD 4.36Å; F52-V73 HydrophobicContact CB-CG1 4.23Å; F52-R110 HydrophobicContact CD1-CB 3.91Å; F52-R110 HydrophobicContact CE1-CB 3.63Å; F52-R110 HydrophobicContact CE1-CG 4.29Å; F52-R110 HydrophobicContact CZ-CB 4.16Å; F52-R110 HydrophobicContact CZ-CG 4.34Å; F52-V125 HydrophobicContact CB-CG1 4.17Å; F52-V125 HydrophobicContact CD2-CG1 3.51Å; F52-V125 HydrophobicContact CD2-CG2 4.25Å; F52-V125 HydrophobicContact CE2-CG1 4.24Å; F52-V125 HydrophobicContact CG-CG1 4.04Å; F52-V125 HydrophobicContact CG-CG2 4.26Å; F52-H129 HydrophobicContact CD2-CB 4.3Å; F52-H129 WeakPolarHBondContact CD2-O 3.48Å; F52-H129 PolarHBondContact N-O 3.21Å; F52-R130 WeakPolarHBondContact O-CA 3.35Å; F52-N131 PolarHBondContact O-N 3.27Å; F52-F132 WeakPolarHBondContact O-CD1 3.29Å; F52-F132 WeakPolarHBondContact O-CE1 3.38Å
53	T	97.5	Very high	88.4	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.294	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-103	177.5	175.1	60.4	0	0	0	0	111.2	M71 C72 V73 N131 F132	T53-M71 PolarHBondContact N-O 3.43Å; T53-C72 PolarHBondContact OG1-SG 3.4Å; T53-V73 WeakPolarHBondContact O-CG2 3.47Å; T53-V73 PolarHBondContact O-N 2.88Å; T53-N131 HydrophobicContact CG2-CB 4.4Å; T53-F132 VanDerWaalsContact C-CD1 3.4Å; T53-F132 VanDerWaalsContact C-CE1 3.4Å; T53-F132 VanDerWaalsContact O-CE1 3.3Å; T53-F132 WeakPolarHBondContact O-CE1 3.36Å
54	E	97.4	Very high	90.3	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	34%	0.342	S	S	*	.	S	Bend	trans	-54.9	163.2	168.9	-64.7	-171.1	132.4	0	0	112	C56 C72 F132	E54-C56 PolarHBondContact O-N 2.92Å; E54-C72 WeakPolarHBondContact O-CB 3.42Å; E54-F132 HydrophobicContact CG-CB 3.55Å; E54-F132 HydrophobicContact CG-CD1 4.28Å; E54-F132 HydrophobicContact CG-CD2 3.7Å; E54-F132 HydrophobicContact CG-CE2 4.45Å; E54-F132 HydrophobicContact CG-CG 3.59Å
55	P	98.1	Very high	91.9	Very high	59 Å²	59	65.8 Å²	65.8	38%	0.383	36%	0.359	S	S	.	.			trans	-51.4	135.5	174.3	-24.2	33.4	0	0	0	111.7	Y61 V73 P75	P55-Y61 HydrophobicContact CB-CE1 4.27Å; P55-V73 WeakPolarHBondContact CA-O 3.47Å; P55-V73 VanDerWaalsContact CD-CG2 3.45Å; P55-V73 HydrophobicContact CG-CG2 3.8Å; P55-P75 HydrophobicContact CB-CG 3.98Å; P55-P75 HydrophobicContact CG-CG 3.71Å
56	C	97.9	Very high	93.2	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.02	38%	0.377	C	S	.	.			trans	-136.6	59.3	-179.8	73.4	0	0	0	0	112.1	E54 E58 R59 G60 Y61 C72	E54-C56 PolarHBondContact O-N 2.92Å; C56-E58 VanDerWaalsContact C-OE2 3.29Å; C56-E58 WeakPolarHBondContact CA-OE1 3.38Å; C56-E58 WeakPolarHBondContact CB-OE1 3.25Å; C56-E58 PolarHBondContact O-N 3.17Å; C56-R59 HydrophobicContact CB-CB 4.48Å; C56-R59 PolarHBondContact O-N 3.2Å; C56-R59 PolarHBondContact SG-NH2 3.42Å; C56-G60 PolarHBondContact O-N 3.14Å; C56-Y61 PolarHBondContact O-N 2.89Å; C56-Y61 VanDerWaalsContact SG-CA 3.53Å; C56-C72 HydrophobicContact CB-CB 3.92Å; C56-C72 WeakPolarHBondContact CB-SG 3.49Å; C56-C72 WeakPolarHBondContact SG-CB 3.43Å; C56-C72 CovalentContact SG-SG 2.01Å; C56-C72 PolarHBondContact SG-SG 3.15Å
57	P	97.3	Very high	94.1	Very high	72 Å²	72	67.3 Å²	67.3	47%	0.468	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-56.3	-33.2	-177	23.6	-34.2	0	0	0	113.2	R59 G60 Y61	P57-R59 PolarHBondContact O-N 3.15Å; P57-G60 PolarHBondContact O-N 3.11Å; P57-G60 VanDerWaalsContact O-N 3.1Å; P57-Y61 HydrophobicContact CB-CE2 3.89Å
58	E	97	Very high	94.5	Very high	140 Å²	140	67 Å²	67	65%	0.654	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.7	178.3	72.1	-62	151.2	0	0	113.9	C56	C56-E58 VanDerWaalsContact C-OE2 3.29Å; C56-E58 WeakPolarHBondContact CA-OE1 3.38Å; C56-E58 WeakPolarHBondContact CB-OE1 3.25Å; C56-E58 PolarHBondContact O-N 3.17Å
59	R	95.4	Very high	95.1	Very high	129 Å²	129	60 Å²	60	49%	0.487	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-106.4	7.8	177.1	-55.7	-174.7	-62.3	116	3	112.5	C56 P57 Y61 D62 C72	C56-R59 HydrophobicContact CB-CB 4.48Å; C56-R59 PolarHBondContact O-N 3.2Å; C56-R59 PolarHBondContact SG-NH2 3.42Å; P57-R59 PolarHBondContact O-N 3.15Å; R59-Y61 VanDerWaalsContact C-N 3.31Å; R59-Y61 PolarHBondContact O-N 3.12Å; R59-D62 IonicContact CZ-OD1 3.12Å; R59-D62 IonicContact CZ-OD2 2.61Å; R59-D62 IonicContact NH1-OD1 2.64Å; R59-D62 PolarHBondContact NH1-OD1 2.7Å; R59-D62 IonicContact NH1-OD2 3.13Å; R59-D62 PolarHBondContact NH1-OD2 3Å; R59-D62 IonicContact NH2-OD2 2.91Å; R59-D62 PolarHBondContact NH2-OD2 3.44Å; R59-C72 PolarHBondContact NH2-SG 2.75Å; R59-C72 VanDerWaalsContact NH2-SG 3.36Å
60	G	96.2	Very high	95.6	Very high	41 Å²	41	56.7 Å²	56.7	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	30.1	-178.6	0	0	0	0	0	113.5	C56 P57 D62	C56-G60 PolarHBondContact O-N 3.14Å; P57-G60 PolarHBondContact O-N 3.11Å; P57-G60 VanDerWaalsContact O-N 3.1Å; G60-D62 PolarHBondContact O-N 3.05Å; G60-D62 VanDerWaalsContact O-N 3.13Å
61	Y	98.1	Very high	95.8	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.035	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	14.4	176	-66.4	-84.3	0	0	0	116.6	P55 C56 P57 R59 F70 M71 C72 V73 V74 E79 L83	P55-Y61 HydrophobicContact CB-CE1 4.27Å; C56-Y61 PolarHBondContact O-N 2.89Å; C56-Y61 VanDerWaalsContact SG-CA 3.53Å; P57-Y61 HydrophobicContact CB-CE2 3.89Å; R59-Y61 VanDerWaalsContact C-N 3.31Å; R59-Y61 PolarHBondContact O-N 3.12Å; Y61-F70 CarbonylContact O-C 3.32Å; Y61-F70 WeakPolarHBondContact O-CA 3.38Å; Y61-M71 PolarHBondContact O-N 3.36Å; Y61-C72 HydrophobicContact CD1-CB 3.79Å; Y61-C72 PolarHBondContact O-N 3.43Å; Y61-V73 WeakPolarHBondContact CE1-O 3.31Å; Y61-V74 HydrophobicContact CD1-CG2 3.72Å; Y61-V74 HydrophobicContact CE1-CG2 4.05Å; Y61-V74 HydrophobicContact CG-CG2 4.15Å; Y61-E79 HydrophobicContact CE2-CG 4.32Å; Y61-E79 VanDerWaalsContact CE2-OE1 3.29Å; Y61-E79 WeakPolarHBondContact CE2-OE1 3.4Å; Y61-E79 PolarHBondContact OH-OE1 2.04Å; Y61-E79 PolarHBondContact OH-OE2 3.04Å; Y61-L83 HydrophobicContact CD2-CD1 3.5Å; Y61-L83 VanDerWaalsContact CD2-CD1 3.5Å; Y61-L83 HydrophobicContact CD2-CD2 3.89Å; Y61-L83 HydrophobicContact CD2-CG 4.31Å; Y61-L83 HydrophobicContact CE2-CD1 3.95Å; Y61-L83 HydrophobicContact CG-CD1 3.88Å
62	D	97	Very high	96	Very high	51 Å²	51	52.3 Å²	52.3	27%	0.273	29%	0.286	S	S	.	.			trans	50	64.9	175.2	-63.1	-20.3	0	0	0	112.8	R59 G60 N64 M71	R59-D62 IonicContact CZ-OD1 3.12Å; R59-D62 IonicContact CZ-OD2 2.61Å; R59-D62 IonicContact NH1-OD1 2.64Å; R59-D62 PolarHBondContact NH1-OD1 2.7Å; R59-D62 IonicContact NH1-OD2 3.13Å; R59-D62 PolarHBondContact NH1-OD2 3Å; R59-D62 IonicContact NH2-OD2 2.91Å; R59-D62 PolarHBondContact NH2-OD2 3.44Å; G60-D62 PolarHBondContact O-N 3.05Å; G60-D62 VanDerWaalsContact O-N 3.13Å; D62-N64 PolarHBondContact O-N 3.11Å; D62-M71 HydrophobicContact CB-CB 3.89Å; D62-M71 WeakPolarHBondContact O-CB 3.19Å; D62-M71 VanDerWaalsContact O-CG 3.31Å; D62-M71 WeakPolarHBondContact O-CG 3.31Å; D62-M71 PolarHBondContact O-N 2.81Å
63	F	96.3	Very high	96	Very high	48 Å²	48	52.4 Å²	52.4	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.1	176.2	-174.2	-107.7	0	0	0	111.6	D65 G68 F70 M87 C113	F63-D65 HydrophobicContact CE1-CB 4.29Å; F63-D65 WeakPolarHBondContact CE1-OD1 3.3Å; F63-G68 WeakPolarHBondContact CE2-O 2.92Å; F63-F70 HydrophobicContact CB-CD1 4.08Å; F63-F70 HydrophobicContact CB-CE1 3.94Å; F63-F70 HydrophobicContact CD2-CD1 4.05Å; F63-F70 HydrophobicContact CD2-CD2 4.18Å; F63-F70 AromaticContact CD2-CE1 3.72Å; F63-F70 HydrophobicContact CD2-CE1 3.72Å; F63-F70 AromaticContact CD2-CE2 3.87Å; F63-F70 HydrophobicContact CD2-CE2 3.87Å; F63-F70 HydrophobicContact CD2-CG 4.28Å; F63-F70 AromaticContact CD2-CZ 3.61Å; F63-F70 HydrophobicContact CD2-CZ 3.61Å; F63-F70 HydrophobicContact CE2-CE2 4.18Å; F63-F70 HydrophobicContact CE2-CZ 4.18Å; F63-F70 HydrophobicContact CG-CE1 4.24Å; F63-F70 HydrophobicContact CG-CZ 4.46Å; F63-M87 HydrophobicContact CB-CE 3.66Å; F63-M87 HydrophobicContact CD1-CE 3.91Å; F63-M87 HydrophobicContact CD1-SD 4.06Å; F63-M87 HydrophobicContact CD2-CE 3.96Å; F63-M87 HydrophobicContact CD2-CG 4.24Å; F63-M87 HydrophobicContact CD2-SD 4.4Å; F63-M87 HydrophobicContact CE1-SD 4.11Å; F63-M87 HydrophobicContact CE2-CG 4.03Å; F63-M87 HydrophobicContact CE2-SD 4.46Å; F63-M87 HydrophobicContact CG-CE 3.57Å; F63-M87 HydrophobicContact CG-SD 4.19Å; F63-M87 HydrophobicContact CZ-CG 4.23Å; F63-M87 HydrophobicContact CZ-SD 4.32Å; F63-C113 HydrophobicContact CE2-CB 4.36Å
64	N	94.4	Very high	96.1	Very high	49 Å²	49	50.1 Å²	50.1	26%	0.262	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	96.5	178.9	-179.6	-92.4	0	0	0	109.6	D62 P66 T67 G68 N69 M71	D62-N64 PolarHBondContact O-N 3.11Å; N64-P66 VanDerWaalsContact C-CD 3.44Å; N64-T67 PolarHBondContact O-N 2.85Å; N64-T67 VanDerWaalsContact O-N 3.14Å; N64-T67 WeakPolarHBondContact OD1-CB 3.24Å; N64-T67 VanDerWaalsContact OD1-CG2 3.29Å; N64-T67 WeakPolarHBondContact OD1-CG2 3.03Å; N64-T67 PolarHBondContact OD1-N 3.46Å; N64-T67 PolarHBondContact OD1-OG1 2.68Å; N64-G68 WeakPolarHBondContact O-CA 3.38Å; N64-G68 PolarHBondContact O-N 2.79Å; N64-N69 WeakPolarHBondContact CB-O 3.49Å; N64-N69 PolarHBondContact N-O 3.22Å; N64-M71 HydrophobicContact CB-CG 3.87Å; N64-M71 HydrophobicContact CB-SD 3.99Å
65	D	91.3	Very high	96.1	Very high	131 Å²	131	45.6 Å²	45.6	70%	0.701	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-45.3	-177.9	-65.4	-93.1	0	0	0	114.5	F63 T67 G68	F63-D65 HydrophobicContact CE1-CB 4.29Å; F63-D65 WeakPolarHBondContact CE1-OD1 3.3Å; D65-T67 PolarHBondContact O-N 2.92Å; D65-T67 VanDerWaalsContact O-N 3.15Å; D65-G68 PolarHBondContact O-N 3.22Å
66	P	89.8	Confident	96.1	Very high	119 Å²	119	43.9 Å²	43.9	77%	0.773	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	-176.4	-25.5	36.2	0	0	0	114.3	N64	N64-P66 VanDerWaalsContact C-CD 3.44Å
67	T	91.3	Very high	96.1	Very high	40 Å²	40	43.8 Å²	43.8	25%	0.245	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-14.9	-177.9	68.9	0	0	0	0	113.3	L50 N64 D65 N69 R112	L50-T67 HydrophobicContact CD1-CG2 4.39Å; L50-T67 HydrophobicContact CD2-CG2 4.5Å; N64-T67 PolarHBondContact O-N 2.85Å; N64-T67 VanDerWaalsContact O-N 3.14Å; N64-T67 WeakPolarHBondContact OD1-CB 3.24Å; N64-T67 VanDerWaalsContact OD1-CG2 3.29Å; N64-T67 WeakPolarHBondContact OD1-CG2 3.03Å; N64-T67 PolarHBondContact OD1-N 3.46Å; N64-T67 PolarHBondContact OD1-OG1 2.68Å; D65-T67 PolarHBondContact O-N 2.92Å; D65-T67 VanDerWaalsContact O-N 3.15Å; T67-N69 WeakPolarHBondContact CB-ND2 3.48Å; T67-N69 PolarHBondContact O-N 3.4Å; T67-N69 PolarHBondContact O-ND2 2.87Å; T67-N69 WeakPolarHBondContact OG1-CB 3.31Å; T67-N69 PolarHBondContact OG1-N 3.01Å; T67-N69 PolarHBondContact OG1-ND2 2.78Å; T67-R112 PolarHBondContact O-NE 3.42Å; T67-R112 PolarHBondContact O-NH2 3.43Å
68	G	94.2	Very high	96.2	Very high	5 Å²	5	45 Å²	45	5%	0.052	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	8.5	-172.6	0	0	0	0	0	114.2	F63 N64 D65 R112 C113	F63-G68 WeakPolarHBondContact CE2-O 2.92Å; N64-G68 WeakPolarHBondContact O-CA 3.38Å; N64-G68 PolarHBondContact O-N 2.79Å; D65-G68 PolarHBondContact O-N 3.22Å; G68-R112 CarbonylContact O-C 3.5Å; G68-R112 VanDerWaalsContact O-CA 3.24Å; G68-R112 WeakPolarHBondContact O-CA 3.47Å; G68-R112 VanDerWaalsContact O-CG 3.3Å; G68-R112 WeakPolarHBondContact O-CG 3.02Å; G68-C113 VanDerWaalsContact CA-O 3.31Å; G68-C113 WeakPolarHBondContact CA-O 3.44Å; G68-C113 PolarHBondContact O-N 3.01Å
69	N	96.2	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	146.2	-178.4	-72	-79.6	0	0	0	111.8	F52 N64 T67 M71 R110	F52-N69 HydrophobicContact CE1-CB 4.2Å; F52-N69 HydrophobicContact CZ-CB 4.39Å; N64-N69 WeakPolarHBondContact CB-O 3.49Å; N64-N69 PolarHBondContact N-O 3.22Å; T67-N69 WeakPolarHBondContact CB-ND2 3.48Å; T67-N69 PolarHBondContact O-N 3.4Å; T67-N69 PolarHBondContact O-ND2 2.87Å; T67-N69 WeakPolarHBondContact OG1-CB 3.31Å; T67-N69 PolarHBondContact OG1-N 3.01Å; T67-N69 PolarHBondContact OG1-ND2 2.78Å; N69-M71 HydrophobicContact CB-SD 4.13Å; N69-R110 PolarHBondContact OD1-NH1 3.03Å
70	F	97.8	Very high	96.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.5	158.3	-66.4	-87.3	0	0	0	108.4	F52 Y61 F63 C72 V74 L83 M87 C111	F52-F70 WeakPolarHBondContact CD1-O 3.5Å; F52-F70 VanDerWaalsContact CE1-O 3.25Å; F52-F70 WeakPolarHBondContact CE1-O 3.49Å; Y61-F70 CarbonylContact O-C 3.32Å; Y61-F70 WeakPolarHBondContact O-CA 3.38Å; F63-F70 HydrophobicContact CB-CD1 4.08Å; F63-F70 HydrophobicContact CB-CE1 3.94Å; F63-F70 HydrophobicContact CD2-CD1 4.05Å; F63-F70 HydrophobicContact CD2-CD2 4.18Å; F63-F70 AromaticContact CD2-CE1 3.72Å; F63-F70 HydrophobicContact CD2-CE1 3.72Å; F63-F70 AromaticContact CD2-CE2 3.87Å; F63-F70 HydrophobicContact CD2-CE2 3.87Å; F63-F70 HydrophobicContact CD2-CG 4.28Å; F63-F70 AromaticContact CD2-CZ 3.61Å; F63-F70 HydrophobicContact CD2-CZ 3.61Å; F63-F70 HydrophobicContact CE2-CE2 4.18Å; F63-F70 HydrophobicContact CE2-CZ 4.18Å; F63-F70 HydrophobicContact CG-CE1 4.24Å; F63-F70 HydrophobicContact CG-CZ 4.46Å; F70-C72 VanDerWaalsContact C-N 3.26Å; F70-C72 PolarHBondContact O-N 2.85Å; F70-V74 HydrophobicContact CB-CG2 4.41Å; F70-L83 HydrophobicContact CD1-CD1 4.34Å; F70-L83 HydrophobicContact CE1-CB 3.93Å; F70-L83 HydrophobicContact CE1-CD1 4.36Å; F70-L83 HydrophobicContact CE1-CD2 4.13Å; F70-L83 HydrophobicContact CE1-CG 4.37Å; F70-L83 HydrophobicContact CE2-CB 3.99Å; F70-L83 HydrophobicContact CZ-CB 3.58Å; F70-L83 HydrophobicContact CZ-CG 4.48Å; F70-M87 HydrophobicContact CE1-CE 3.91Å; F70-M87 HydrophobicContact CZ-CE 4.02Å; F70-M87 HydrophobicContact CZ-CG 3.87Å; F70-C111 HydrophobicContact CB-CB 4.29Å; F70-C111 HydrophobicContact CD2-CB 3.62Å; F70-C111 HydrophobicContact CE2-CB 4.37Å; F70-C111 HydrophobicContact CG-CB 4.25Å; F70-C111 PolarHBondContact N-O 3.4Å
71	M	97.2	Very high	96.5	Very high	32 Å²	32	34.7 Å²	34.7	16%	0.158	19%	0.185	C	C	.	.	S	Bend	trans	-78.9	-10.1	-171.7	-60.6	-58.4	-61	0	0	113.3	L50 F52 T53 Y61 D62 N64 N69	L50-M71 HydrophobicContact CB-CE 4.13Å; L50-M71 HydrophobicContact CD1-SD 4.44Å; L50-M71 HydrophobicContact CD2-CE 4.15Å; F52-M71 WeakPolarHBondContact CA-O 3.42Å; F52-M71 HydrophobicContact CE1-SD 4.36Å; T53-M71 PolarHBondContact N-O 3.43Å; Y61-M71 PolarHBondContact O-N 3.36Å; D62-M71 HydrophobicContact CB-CB 3.89Å; D62-M71 WeakPolarHBondContact O-CB 3.19Å; D62-M71 VanDerWaalsContact O-CG 3.31Å; D62-M71 WeakPolarHBondContact O-CG 3.31Å; D62-M71 PolarHBondContact O-N 2.81Å; N64-M71 HydrophobicContact CB-CG 3.87Å; N64-M71 HydrophobicContact CB-SD 3.99Å; N69-M71 HydrophobicContact CB-SD 4.13Å
72	C	98.2	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-97.2	143	164.5	-62.4	0	0	0	0	110.6	T53 E54 C56 R59 Y61 F70	T53-C72 PolarHBondContact OG1-SG 3.4Å; E54-C72 WeakPolarHBondContact O-CB 3.42Å; C56-C72 HydrophobicContact CB-CB 3.92Å; C56-C72 WeakPolarHBondContact CB-SG 3.49Å; C56-C72 WeakPolarHBondContact SG-CB 3.43Å; C56-C72 CovalentContact SG-SG 2.01Å; C56-C72 PolarHBondContact SG-SG 3.15Å; R59-C72 PolarHBondContact NH2-SG 2.75Å; R59-C72 VanDerWaalsContact NH2-SG 3.36Å; Y61-C72 HydrophobicContact CD1-CB 3.79Å; Y61-C72 PolarHBondContact O-N 3.43Å; F70-C72 VanDerWaalsContact C-N 3.26Å; F70-C72 PolarHBondContact O-N 2.85Å
73	V	97.8	Very high	96.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.196	C	C	.	.			trans	-63.2	141.9	173.2	-65	0	0	0	0	110.9	F52 T53 P55 Y61 H109 V125 F132	F52-V73 HydrophobicContact CB-CG1 4.23Å; T53-V73 WeakPolarHBondContact O-CG2 3.47Å; T53-V73 PolarHBondContact O-N 2.88Å; P55-V73 WeakPolarHBondContact CA-O 3.47Å; P55-V73 VanDerWaalsContact CD-CG2 3.45Å; P55-V73 HydrophobicContact CG-CG2 3.8Å; Y61-V73 WeakPolarHBondContact CE1-O 3.31Å; V73-H109 CarbonylContact C-O 3.56Å; V73-H109 VanDerWaalsContact CA-O 3.31Å; V73-H109 WeakPolarHBondContact CA-O 3.31Å; V73-H109 VanDerWaalsContact CB-O 3.25Å; V73-H109 WeakPolarHBondContact CB-O 3.42Å; V73-V125 HydrophobicContact CG1-CG2 4.25Å; V73-F132 HydrophobicContact CB-CZ 4.31Å; V73-F132 HydrophobicContact CG1-CE1 3.88Å; V73-F132 HydrophobicContact CG1-CZ 3.59Å; V73-F132 HydrophobicContact CG2-CE1 4.38Å; V73-F132 HydrophobicContact CG2-CE2 4.37Å; V73-F132 HydrophobicContact CG2-CZ 3.76Å
74	V	98.3	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.			trans	-107.3	113.8	-178.4	-178.1	0	0	0	0	108.4	Y61 F70 T76 E79 C80 L83 H109 C111 Y122	Y61-V74 HydrophobicContact CD1-CG2 3.72Å; Y61-V74 HydrophobicContact CE1-CG2 4.05Å; Y61-V74 HydrophobicContact CG-CG2 4.15Å; F70-V74 HydrophobicContact CB-CG2 4.41Å; V74-T76 VanDerWaalsContact C-N 3.29Å; V74-T76 PolarHBondContact O-N 3.18Å; V74-E79 HydrophobicContact CG1-CB 3.85Å; V74-E79 HydrophobicContact CG1-CG 3.78Å; V74-C80 HydrophobicContact CB-CB 4.37Å; V74-C80 HydrophobicContact CG1-CB 3.88Å; V74-L83 HydrophobicContact CG1-CD1 4.08Å; V74-L83 HydrophobicContact CG2-CD1 3.76Å; V74-H109 PolarHBondContact N-O 3.16Å; V74-C111 HydrophobicContact CB-CB 4.03Å; V74-C111 HydrophobicContact CG2-CB 3.53Å; V74-Y122 HydrophobicContact CB-CE2 4.46Å; V74-Y122 VanDerWaalsContact O-CE2 3.25Å; V74-Y122 WeakPolarHBondContact O-CE2 3.3Å; V74-Y122 PolarHBondContact O-OH 2.84Å
75	P	97.6	Very high	96.8	Very high	28 Å²	28	35.6 Å²	35.6	18%	0.182	19%	0.194	C	C	.	.	S	Bend	trans	-59.8	-32.2	-170.1	-28.8	35.1	0	0	0	115.2	P55 E79 V105 K106 Y122	P55-P75 HydrophobicContact CB-CG 3.98Å; P55-P75 HydrophobicContact CG-CG 3.71Å; P75-E79 WeakPolarHBondContact CD-OE2 3.38Å; P75-V105 HydrophobicContact CB-CG1 4.31Å; P75-V105 CarbonylContact O-C 3.22Å; P75-V105 VanDerWaalsContact O-CA 3.3Å; P75-V105 WeakPolarHBondContact O-CA 3.25Å; P75-K106 PolarHBondContact O-N 3.41Å; P75-Y122 VanDerWaalsContact C-OH 3.31Å; P75-Y122 PolarHBondContact O-OH 3.1Å; P75-Y122 VanDerWaalsContact O-OH 3.06Å
76	T	98.5	Very high	97.1	Very high	23 Å²	23	35.7 Å²	35.7	14%	0.141	20%	0.195	C	C	.	.			trans	-130.5	150.3	-174.1	68.1	0	0	0	0	113	V74 K78 E79 C80 V105	V74-T76 VanDerWaalsContact C-N 3.29Å; V74-T76 PolarHBondContact O-N 3.18Å; T76-K78 VanDerWaalsContact C-N 3.29Å; T76-K78 PolarHBondContact O-N 3.22Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CB 3.26Å; T76-E79 WeakPolarHBondContact OG1-CB 3.22Å; T76-E79 PolarHBondContact OG1-N 2.97Å; T76-C80 PolarHBondContact O-N 2.72Å; T76-C80 VanDerWaalsContact O-N 3.07Å; T76-V105 HydrophobicContact CG2-CG2 4.18Å
77	P	98.5	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-40.5	169.8	-29.2	37.2	0	0	0	113.6	E79 C80 F81 W92 I98 P99 S100 S102 E104 Y122	P77-E79 PolarHBondContact O-N 3.21Å; P77-C80 PolarHBondContact O-N 3.06Å; P77-F81 PolarHBondContact O-N 2.96Å; P77-W92 HydrophobicContact CB-CH2 3.85Å; P77-W92 HydrophobicContact CB-CZ2 3.88Å; P77-I98 HydrophobicContact CB-CG2 4.2Å; P77-I98 HydrophobicContact CG-CB 4.41Å; P77-I98 HydrophobicContact CG-CD1 3.59Å; P77-I98 HydrophobicContact CG-CG1 3.88Å; P77-I98 HydrophobicContact CG-CG2 3.64Å; P77-P99 WeakPolarHBondContact CB-O 3.34Å; P77-S100 CarbonylContact C-O 3.45Å; P77-S100 VanDerWaalsContact C-O 3.22Å; P77-S102 WeakPolarHBondContact CD-O 2.88Å; P77-E104 WeakPolarHBondContact CD-O 3.46Å; P77-Y122 HydrophobicContact CG-CD1 3.94Å; P77-Y122 HydrophobicContact CG-CE1 3.66Å
78	K	98.6	Very high	97.6	Very high	98 Å²	98	33.5 Å²	33.5	43%	0.426	18%	0.183	S	C	.	.	H	α-helix	trans	-57.9	-49	179.1	-178.9	175.4	173.4	179.2	0	112.1	T76 F81 S82 S100 S102 E103	T76-K78 VanDerWaalsContact C-N 3.29Å; T76-K78 PolarHBondContact O-N 3.22Å; K78-F81 PolarHBondContact O-N 3.03Å; K78-S82 PolarHBondContact O-N 2.87Å; K78-S82 VanDerWaalsContact O-N 3.1Å; K78-S82 PolarHBondContact O-OG 3.4Å; K78-S100 WeakPolarHBondContact CA-O 3.28Å; K78-S100 PolarHBondContact N-O 3.45Å; K78-S102 WeakPolarHBondContact CB-O 3.37Å; K78-S102 PolarHBondContact N-O 2.98Å; K78-E103 HydrophobicContact CD-CG 4Å; K78-E103 IonicContact NZ-OE1 2.7Å; K78-E103 PolarHBondContact NZ-OE1 2.97Å
79	E	98.6	Very high	97.8	Very high	59 Å²	59	33.3 Å²	33.3	28%	0.276	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-42.8	177	-174.8	168.7	-151.6	0	0	111.9	Y61 V74 P75 T76 P77 F81 S82 L83	Y61-E79 HydrophobicContact CE2-CG 4.32Å; Y61-E79 VanDerWaalsContact CE2-OE1 3.29Å; Y61-E79 WeakPolarHBondContact CE2-OE1 3.4Å; Y61-E79 PolarHBondContact OH-OE1 2.04Å; Y61-E79 PolarHBondContact OH-OE2 3.04Å; V74-E79 HydrophobicContact CG1-CB 3.85Å; V74-E79 HydrophobicContact CG1-CG 3.78Å; P75-E79 WeakPolarHBondContact CD-OE2 3.38Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CB 3.26Å; T76-E79 WeakPolarHBondContact OG1-CB 3.22Å; T76-E79 PolarHBondContact OG1-N 2.97Å; P77-E79 PolarHBondContact O-N 3.21Å; E79-F81 VanDerWaalsContact C-N 3.31Å; E79-F81 PolarHBondContact O-N 3.36Å; E79-S82 PolarHBondContact O-N 2.89Å; E79-L83 HydrophobicContact CG-CD1 4.32Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.08Å
80	C	98.6	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-43.5	175.7	173.4	0	0	0	0	111.9	V74 T76 P77 L83 C84 W92 C111 Y122	V74-C80 HydrophobicContact CB-CB 4.37Å; V74-C80 HydrophobicContact CG1-CB 3.88Å; T76-C80 PolarHBondContact O-N 2.72Å; T76-C80 VanDerWaalsContact O-N 3.07Å; P77-C80 PolarHBondContact O-N 3.06Å; C80-L83 WeakPolarHBondContact O-CB 3.47Å; C80-L83 PolarHBondContact O-N 3.4Å; C80-C84 WeakPolarHBondContact O-CB 3.27Å; C80-C84 PolarHBondContact O-N 3.22Å; C80-W92 HydrophobicContact CB-CH2 4.46Å; C80-W92 HydrophobicContact CB-CZ3 4.45Å; C80-C111 VanDerWaalsContact C-SG 3.56Å; C80-C111 WeakPolarHBondContact CA-SG 2.99Å; C80-C111 HydrophobicContact CB-CB 3.71Å; C80-C111 WeakPolarHBondContact CB-SG 3.5Å; C80-C111 PolarHBondContact O-SG 3.23Å; C80-C111 VanDerWaalsContact SG-CA 3.53Å; C80-C111 WeakPolarHBondContact SG-CB 3.32Å; C80-C111 CovalentContact SG-SG 2.04Å; C80-C111 PolarHBondContact SG-SG 3.46Å; C80-Y122 HydrophobicContact CB-CD2 3.75Å; C80-Y122 HydrophobicContact CB-CE2 4.11Å
81	F	98.5	Very high	97.8	Very high	34 Å²	34	42.4 Å²	42.4	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-41.2	179.9	-168.8	-131.2	0	0	0	112.1	P77 K78 E79 L83 C84 Q85 T90 W92 C120	P77-F81 PolarHBondContact O-N 2.96Å; K78-F81 PolarHBondContact O-N 3.03Å; E79-F81 VanDerWaalsContact C-N 3.31Å; E79-F81 PolarHBondContact O-N 3.36Å; F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.2Å; F81-C84 WeakPolarHBondContact O-CB 3.45Å; F81-C84 PolarHBondContact O-N 2.01Å; F81-Q85 HydrophobicContact CE1-CG 4.48Å; F81-Q85 HydrophobicContact CE2-CG 4.38Å; F81-Q85 HydrophobicContact CZ-CG 4.36Å; F81-Q85 VanDerWaalsContact O-CG 3.3Å; F81-Q85 WeakPolarHBondContact O-CG 3.47Å; F81-Q85 PolarHBondContact O-N 2.91Å; F81-T90 WeakPolarHBondContact CE2-O 3.39Å; F81-T90 VanDerWaalsContact CZ-O 3.28Å; F81-T90 WeakPolarHBondContact CZ-O 3.45Å; F81-W92 HydrophobicContact CB-CE3 3.98Å; F81-W92 HydrophobicContact CB-CZ3 3.88Å; F81-W92 AromaticContact CD2-CE3 3.66Å; F81-W92 HydrophobicContact CD2-CE3 3.66Å; F81-W92 HydrophobicContact CD2-CZ3 4.31Å; F81-W92 HydrophobicContact CE2-CB 4.23Å; F81-W92 HydrophobicContact CE2-CE3 4.46Å; F81-W92 HydrophobicContact CG-CE3 4.06Å; F81-W92 HydrophobicContact CG-CZ3 4.46Å; F81-C120 HydrophobicContact CD2-CB 4.19Å
82	S	98.4	Very high	97.8	Very high	56 Å²	56	43.1 Å²	43.1	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-41.5	173.2	-63.9	0	0	0	0	112.6	K78 E79 Q85 N86	K78-S82 PolarHBondContact O-N 2.87Å; K78-S82 VanDerWaalsContact O-N 3.1Å; K78-S82 PolarHBondContact O-OG 3.4Å; E79-S82 PolarHBondContact O-N 2.89Å; S82-Q85 PolarHBondContact O-N 2.91Å; S82-N86 PolarHBondContact O-N 3.34Å; S82-N86 VanDerWaalsContact O-N 3.15Å; S82-N86 PolarHBondContact O-ND2 3.21Å
83	L	98.4	Very high	97.7	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-45.2	174.4	-71.1	169.7	0	0	0	111.8	Y61 F70 V74 E79 C80 F81 Q85 N86 M87	Y61-L83 HydrophobicContact CD2-CD1 3.5Å; Y61-L83 VanDerWaalsContact CD2-CD1 3.5Å; Y61-L83 HydrophobicContact CD2-CD2 3.89Å; Y61-L83 HydrophobicContact CD2-CG 4.31Å; Y61-L83 HydrophobicContact CE2-CD1 3.95Å; Y61-L83 HydrophobicContact CG-CD1 3.88Å; F70-L83 HydrophobicContact CD1-CD1 4.34Å; F70-L83 HydrophobicContact CE1-CB 3.93Å; F70-L83 HydrophobicContact CE1-CD1 4.36Å; F70-L83 HydrophobicContact CE1-CD2 4.13Å; F70-L83 HydrophobicContact CE1-CG 4.37Å; F70-L83 HydrophobicContact CE2-CB 3.99Å; F70-L83 HydrophobicContact CZ-CB 3.58Å; F70-L83 HydrophobicContact CZ-CG 4.48Å; V74-L83 HydrophobicContact CG1-CD1 4.08Å; V74-L83 HydrophobicContact CG2-CD1 3.76Å; E79-L83 HydrophobicContact CG-CD1 4.32Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.08Å; C80-L83 WeakPolarHBondContact O-CB 3.47Å; C80-L83 PolarHBondContact O-N 3.4Å; F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.2Å; L83-Q85 PolarHBondContact O-N 3.46Å; L83-N86 WeakPolarHBondContact O-CB 3.39Å; L83-N86 PolarHBondContact O-N 3Å; L83-M87 WeakPolarHBondContact O-CG 3.48Å; L83-M87 PolarHBondContact O-N 2.98Å
84	C	98.3	Very high	97.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-42.4	174.9	-80.9	0	0	0	0	112.8	C80 F81 N86 M87 G88 C89 C111 C113 C120	C80-C84 WeakPolarHBondContact O-CB 3.27Å; C80-C84 PolarHBondContact O-N 3.22Å; F81-C84 WeakPolarHBondContact O-CB 3.45Å; F81-C84 PolarHBondContact O-N 2.01Å; C84-N86 VanDerWaalsContact C-N 3.29Å; C84-N86 PolarHBondContact O-N 3.23Å; C84-M87 CarbonylContact O-C 3.5Å; C84-M87 WeakPolarHBondContact O-CA 3.24Å; C84-M87 WeakPolarHBondContact O-CB 3.39Å; C84-M87 PolarHBondContact O-N 3.14Å; C84-G88 PolarHBondContact O-N 2.64Å; C84-G88 VanDerWaalsContact O-N 3.16Å; C84-C89 CarbonylContact C-O 3.52Å; C84-C89 HydrophobicContact CB-CB 3.85Å; C84-C89 PolarHBondContact O-N 3.13Å; C84-C111 VanDerWaalsContact SG-SG 3.63Å; C84-C113 HydrophobicContact CB-CB 4.5Å; C84-C120 HydrophobicContact CB-CB 3.51Å; C84-C120 WeakPolarHBondContact CB-SG 3.48Å; C84-C120 VanDerWaalsContact SG-CA 3.58Å; C84-C120 WeakPolarHBondContact SG-CB 3.45Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 3.42Å
85	Q	97.7	Very high	97	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-38.9	178	-74.7	176.3	-43.5	0	0	111.8	F81 S82 L83 M87 G88 C89	F81-Q85 HydrophobicContact CE1-CG 4.48Å; F81-Q85 HydrophobicContact CE2-CG 4.38Å; F81-Q85 HydrophobicContact CZ-CG 4.36Å; F81-Q85 VanDerWaalsContact O-CG 3.3Å; F81-Q85 WeakPolarHBondContact O-CG 3.47Å; F81-Q85 PolarHBondContact O-N 2.91Å; S82-Q85 PolarHBondContact O-N 2.91Å; L83-Q85 PolarHBondContact O-N 3.46Å; Q85-M87 PolarHBondContact O-N 3.26Å; Q85-G88 PolarHBondContact O-N 3.13Å; Q85-C89 WeakPolarHBondContact CA-O 3.08Å; Q85-C89 PolarHBondContact N-O 2.86Å
86	N	96.7	Very high	96.8	Very high	133 Å²	133	53.8 Å²	53.8	71%	0.711	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-23.8	174.2	-66.3	-20.3	0	0	0	112.9	S82 L83 C84	S82-N86 PolarHBondContact O-N 3.34Å; S82-N86 VanDerWaalsContact O-N 3.15Å; S82-N86 PolarHBondContact O-ND2 3.21Å; L83-N86 WeakPolarHBondContact O-CB 3.39Å; L83-N86 PolarHBondContact O-N 3Å; C84-N86 VanDerWaalsContact C-N 3.29Å; C84-N86 PolarHBondContact O-N 3.23Å
87	M	95.7	Very high	96.6	Very high	74 Å²	74	60.1 Å²	60.1	37%	0.365	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	5.2	175.5	-57.5	-59.2	177.9	0	0	113.1	F63 F70 L83 C84 Q85 C113	F63-M87 HydrophobicContact CB-CE 3.66Å; F63-M87 HydrophobicContact CD1-CE 3.91Å; F63-M87 HydrophobicContact CD1-SD 4.06Å; F63-M87 HydrophobicContact CD2-CE 3.96Å; F63-M87 HydrophobicContact CD2-CG 4.24Å; F63-M87 HydrophobicContact CD2-SD 4.4Å; F63-M87 HydrophobicContact CE1-SD 4.11Å; F63-M87 HydrophobicContact CE2-CG 4.03Å; F63-M87 HydrophobicContact CE2-SD 4.46Å; F63-M87 HydrophobicContact CG-CE 3.57Å; F63-M87 HydrophobicContact CG-SD 4.19Å; F63-M87 HydrophobicContact CZ-CG 4.23Å; F63-M87 HydrophobicContact CZ-SD 4.32Å; F70-M87 HydrophobicContact CE1-CE 3.91Å; F70-M87 HydrophobicContact CZ-CE 4.02Å; F70-M87 HydrophobicContact CZ-CG 3.87Å; L83-M87 WeakPolarHBondContact O-CG 3.48Å; L83-M87 PolarHBondContact O-N 2.98Å; C84-M87 CarbonylContact O-C 3.5Å; C84-M87 WeakPolarHBondContact O-CA 3.24Å; C84-M87 WeakPolarHBondContact O-CB 3.39Å; C84-M87 PolarHBondContact O-N 3.14Å; Q85-M87 PolarHBondContact O-N 3.26Å; M87-C113 HydrophobicContact CB-CB 4.05Å
88	G	96	Very high	96.4	Very high	40 Å²	40	61.1 Å²	61.1	41%	0.412	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	1	179.9	0	0	0	0	0	115.6	C84 Q85 T90	C84-G88 PolarHBondContact O-N 2.64Å; C84-G88 VanDerWaalsContact O-N 3.16Å; Q85-G88 PolarHBondContact O-N 3.13Å; G88-T90 PolarHBondContact O-N 2.97Å
89	C	97.6	Very high	96.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.323	C	S	.	.			trans	-85.1	107.9	173.9	-73.1	0	0	0	0	111	C84 Q85 C113 F114 N118 M119	C84-C89 CarbonylContact C-O 3.52Å; C84-C89 HydrophobicContact CB-CB 3.85Å; C84-C89 PolarHBondContact O-N 3.13Å; Q85-C89 WeakPolarHBondContact CA-O 3.08Å; Q85-C89 PolarHBondContact N-O 2.86Å; C89-C113 HydrophobicContact CB-CB 3.88Å; C89-C113 WeakPolarHBondContact CB-SG 3.12Å; C89-C113 VanDerWaalsContact SG-C 3.57Å; C89-C113 WeakPolarHBondContact SG-CA 3.46Å; C89-C113 WeakPolarHBondContact SG-CB 3.3Å; C89-C113 CovalentContact SG-SG 2.04Å; C89-C113 PolarHBondContact SG-SG 3.46Å; C89-F114 PolarHBondContact SG-N 3.18Å; C89-N118 CarbonylContact C-O 3.52Å; C89-N118 WeakPolarHBondContact CA-O 3.32Å; C89-M119 PolarHBondContact SG-O 3.06Å; C89-M119 VanDerWaalsContact SG-O 3.4Å
90	T	96.5	Very high	96.3	Very high	79 Å²	79	59.5 Å²	59.5	49%	0.485	32%	0.322	S	S	.	.			trans	-103.2	-11.1	-176.1	57.9	0	0	0	0	114.4	F81 G88 N118	F81-T90 WeakPolarHBondContact CE2-O 3.39Å; F81-T90 VanDerWaalsContact CZ-O 3.28Å; F81-T90 WeakPolarHBondContact CZ-O 3.45Å; G88-T90 PolarHBondContact O-N 2.97Å; T90-N118 PolarHBondContact N-O 3.48Å; T90-N118 VanDerWaalsContact N-O 3.11Å
91	E	97.8	Very high	96.3	Very high	114 Å²	114	62 Å²	62	53%	0.533	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130	-177.9	-65.1	-59.1	148.4	0	0	111.1	N118 M119 C120	E91-N118 WeakPolarHBondContact CB-O 3.47Å; E91-N118 PolarHBondContact N-O 3.05Å; E91-M119 HydrophobicContact CB-CG 4.25Å; E91-M119 CarbonylContact O-C 3.57Å; E91-M119 WeakPolarHBondContact O-CA 3.49Å; E91-C120 PolarHBondContact O-N 3.07Å
92	W	97.7	Very high	96.3	Very high	46 Å²	46	61.5 Å²	61.5	17%	0.174	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.5	173.9	-173.6	-106.1	0	0	0	110.3	P77 C80 F81 H94 N96 I98 C120 Y122	P77-W92 HydrophobicContact CB-CH2 3.85Å; P77-W92 HydrophobicContact CB-CZ2 3.88Å; C80-W92 HydrophobicContact CB-CH2 4.46Å; C80-W92 HydrophobicContact CB-CZ3 4.45Å; F81-W92 HydrophobicContact CB-CE3 3.98Å; F81-W92 HydrophobicContact CB-CZ3 3.88Å; F81-W92 AromaticContact CD2-CE3 3.66Å; F81-W92 HydrophobicContact CD2-CE3 3.66Å; F81-W92 HydrophobicContact CD2-CZ3 4.31Å; F81-W92 HydrophobicContact CE2-CB 4.23Å; F81-W92 HydrophobicContact CE2-CE3 4.46Å; F81-W92 HydrophobicContact CG-CE3 4.06Å; F81-W92 HydrophobicContact CG-CZ3 4.46Å; W92-H94 PolarHBondContact O-N 3.1Å; W92-N96 HydrophobicContact CZ2-CB 3.78Å; W92-N96 VanDerWaalsContact CZ2-ND2 3.34Å; W92-N96 WeakPolarHBondContact CZ2-ND2 3.01Å; W92-N96 PolarHBondContact NE1-ND2 3.21Å; W92-I98 HydrophobicContact CZ2-CG2 4.13Å; W92-I98 PolarHBondContact NE1-O 2.89Å; W92-C120 HydrophobicContact CE3-CB 3.86Å; W92-C120 HydrophobicContact CZ3-CB 4.19Å; W92-Y122 VanDerWaalsContact CH2-CB 3.44Å; W92-Y122 HydrophobicContact CH2-CG 4.03Å; W92-Y122 HydrophobicContact CZ2-CG 4.44Å
93	N	95.5	Very high	96.3	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.059	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-67.3	125.2	-178.7	-164.9	-38.8	0	0	0	111.3	M95 N96 C120 F121	N93-M95 PolarHBondContact O-N 3.47Å; N93-M95 VanDerWaalsContact O-N 3.14Å; N93-M95 VanDerWaalsContact OD1-CB 3.31Å; N93-M95 WeakPolarHBondContact OD1-CB 3.4Å; N93-M95 PolarHBondContact OD1-N 2.88Å; N93-N96 VanDerWaalsContact O-CB 3.23Å; N93-N96 WeakPolarHBondContact O-CB 3.09Å; N93-N96 PolarHBondContact O-N 3.05Å; N93-N96 PolarHBondContact O-ND2 2.75Å; N93-N96 VanDerWaalsContact O-ND2 3.13Å; N93-C120 VanDerWaalsContact CB-O 3.28Å; N93-C120 WeakPolarHBondContact CB-O 3.33Å; N93-C120 PolarHBondContact N-O 3.42Å; N93-F121 HydrophobicContact CB-CD1 4.26Å; N93-F121 HydrophobicContact CB-CE1 4.38Å; N93-F121 WeakPolarHBondContact ND2-CE1 3.46Å; N93-F121 WeakPolarHBondContact ND2-CZ 3.5Å
94	H	92.2	Very high	96.2	Very high	152 Å²	152	68.5 Å²	68.5	70%	0.704	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.9	175.7	64.1	-82.9	0	0	0	113.3	W92 N96 L97	W92-H94 PolarHBondContact O-N 3.1Å; H94-N96 PolarHBondContact O-N 2.94Å; H94-L97 PolarHBondContact O-N 3.23Å
95	M	90.2	Very high	96.2	Very high	76 Å²	76	73 Å²	73	37%	0.374	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-73	-3.2	176.8	-62.6	-58.3	-64.4	0	0	114	Y39 N93 L97	Y39-M95 HydrophobicContact CE2-CE 3.98Å; N93-M95 PolarHBondContact O-N 3.47Å; N93-M95 VanDerWaalsContact O-N 3.14Å; N93-M95 VanDerWaalsContact OD1-CB 3.31Å; N93-M95 WeakPolarHBondContact OD1-CB 3.4Å; N93-M95 PolarHBondContact OD1-N 2.88Å; M95-L97 PolarHBondContact O-N 3.28Å
96	N	93.3	Very high	96.2	Very high	14 Å²	14	71.4 Å²	71.4	8%	0.075	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-70.9	-20.7	172	-64.4	-25.2	0	0	0	111.9	W92 N93 H94 I98 C120 F121 Y122	W92-N96 HydrophobicContact CZ2-CB 3.78Å; W92-N96 VanDerWaalsContact CZ2-ND2 3.34Å; W92-N96 WeakPolarHBondContact CZ2-ND2 3.01Å; W92-N96 PolarHBondContact NE1-ND2 3.21Å; N93-N96 VanDerWaalsContact O-CB 3.23Å; N93-N96 WeakPolarHBondContact O-CB 3.09Å; N93-N96 PolarHBondContact O-N 3.05Å; N93-N96 PolarHBondContact O-ND2 2.75Å; N93-N96 VanDerWaalsContact O-ND2 3.13Å; H94-N96 PolarHBondContact O-N 2.94Å; N96-I98 HydrophobicContact CB-CG2 4.4Å; N96-I98 PolarHBondContact O-N 2.87Å; N96-C120 PolarHBondContact ND2-O 2.04Å; N96-F121 WeakPolarHBondContact OD1-CA 3.46Å; N96-Y122 PolarHBondContact OD1-N 2.84Å
97	L	93.2	Very high	96.2	Very high	157 Å²	157	73.8 Å²	73.8	82%	0.822	39%	0.392	S	S	*	.			trans	56.8	16.7	178	-51.7	178.1	0	0	0	114.9	H94 M95	H94-L97 PolarHBondContact O-N 3.23Å; M95-L97 PolarHBondContact O-N 3.28Å
98	I	95.2	Very high	96.2	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.108	39%	0.387	C	S	.	.	S	Bend	trans	-143.4	139.8	176.6	-166.9	165.2	0	0	0	107.7	P77 W92 N96 E104 Y122	P77-I98 HydrophobicContact CB-CG2 4.2Å; P77-I98 HydrophobicContact CG-CB 4.41Å; P77-I98 HydrophobicContact CG-CD1 3.59Å; P77-I98 HydrophobicContact CG-CG1 3.88Å; P77-I98 HydrophobicContact CG-CG2 3.64Å; W92-I98 HydrophobicContact CZ2-CG2 4.13Å; W92-I98 PolarHBondContact NE1-O 2.89Å; N96-I98 HydrophobicContact CB-CG2 4.4Å; N96-I98 PolarHBondContact O-N 2.87Å; I98-E104 HydrophobicContact CD1-CB 4.16Å; I98-E104 VanDerWaalsContact CD1-OE2 3.27Å; I98-E104 WeakPolarHBondContact CD1-OE2 3.39Å; I98-Y122 HydrophobicContact CG2-CD1 3.99Å
99	P	97.7	Very high	96.3	Very high	89 Å²	89	73.4 Å²	73.4	58%	0.578	38%	0.376	S	S	*	.			trans	-70	146.7	-179.2	26.2	-32.1	0	0	0	111.2	P77 G101 S102	P77-P99 WeakPolarHBondContact CB-O 3.34Å; P99-G101 PolarHBondContact O-N 2.04Å; P99-S102 VanDerWaalsContact O-CB 3.29Å; P99-S102 WeakPolarHBondContact O-CB 3.23Å; P99-S102 PolarHBondContact O-N 3.11Å
100	S	97.9	Very high	96.2	Very high	34 Å²	34	73.6 Å²	73.6	24%	0.238	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.5	179	54.8	0	0	0	0	112.9	P77 K78 S102	P77-S100 CarbonylContact C-O 3.45Å; P77-S100 VanDerWaalsContact C-O 3.22Å; K78-S100 WeakPolarHBondContact CA-O 3.28Å; K78-S100 PolarHBondContact N-O 3.45Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.34Å
101	G	97.9	Very high	96.2	Very high	53 Å²	53	69.9 Å²	69.9	55%	0.546	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.4	178.3	0	0	0	0	0	115.7	P99	P99-G101 PolarHBondContact O-N 2.04Å
102	S	98.2	Very high	96.2	Very high	23 Å²	23	65.3 Å²	65.3	16%	0.161	33%	0.332	C	S	.	.			trans	-68.5	136.2	-176.6	-176.9	0	0	0	0	112.3	P77 K78 P99 S100 E104	P77-S102 WeakPolarHBondContact CD-O 2.88Å; K78-S102 WeakPolarHBondContact CB-O 3.37Å; K78-S102 PolarHBondContact N-O 2.98Å; P99-S102 VanDerWaalsContact O-CB 3.29Å; P99-S102 WeakPolarHBondContact O-CB 3.23Å; P99-S102 PolarHBondContact O-N 3.11Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.34Å; S102-E104 WeakPolarHBondContact OG-CB 3.47Å; S102-E104 PolarHBondContact OG-N 3.34Å; S102-E104 VanDerWaalsContact OG-N 3.12Å
103	E	98.3	Very high	96.1	Very high	132 Å²	132	63.1 Å²	63.1	62%	0.617	32%	0.323	S	S	*	.			trans	-96.5	8.5	170.7	-58.9	-165.4	165.9	0	0	112.3	K78 V105	K78-E103 HydrophobicContact CD-CG 4Å; K78-E103 IonicContact NZ-OE1 2.7Å; K78-E103 PolarHBondContact NZ-OE1 2.97Å; E103-V105 PolarHBondContact O-N 3.25Å
104	E	97.7	Very high	96	Very high	96 Å²	96	64.9 Å²	64.9	45%	0.449	33%	0.33	S	S	.	.			trans	-62.3	124.6	175.6	-169.7	-171	173.9	0	0	110.6	P77 I98 S102 K106	P77-E104 WeakPolarHBondContact CD-O 3.46Å; I98-E104 HydrophobicContact CD1-CB 4.16Å; I98-E104 VanDerWaalsContact CD1-OE2 3.27Å; I98-E104 WeakPolarHBondContact CD1-OE2 3.39Å; S102-E104 WeakPolarHBondContact OG-CB 3.47Å; S102-E104 PolarHBondContact OG-N 3.34Å; S102-E104 VanDerWaalsContact OG-N 3.12Å; E104-K106 VanDerWaalsContact CD-CE 3.42Å; E104-K106 PolarHBondContact O-N 3.31Å; E104-K106 WeakPolarHBondContact OE1-CE 3.34Å; E104-K106 IonicContact OE1-NZ 3.56Å; E104-K106 PolarHBondContact OE1-NZ 3.15Å; E104-K106 WeakPolarHBondContact OE2-CE 3.45Å; E104-K106 IonicContact OE2-NZ 2.91Å; E104-K106 PolarHBondContact OE2-NZ 3.48Å; E104-K106 VanDerWaalsContact OE2-NZ 3.13Å
105	V	97.9	Very high	95.8	Very high	94 Å²	94	60.8 Å²	60.8	57%	0.57	32%	0.317	S	S	*	.			trans	-80.6	118.5	-179.2	177.8	0	0	0	0	111.1	P75 T76 E103 R107	P75-V105 HydrophobicContact CB-CG1 4.31Å; P75-V105 CarbonylContact O-C 3.22Å; P75-V105 VanDerWaalsContact O-CA 3.3Å; P75-V105 WeakPolarHBondContact O-CA 3.25Å; T76-V105 HydrophobicContact CG2-CG2 4.18Å; E103-V105 PolarHBondContact O-N 3.25Å; V105-R107 HydrophobicContact CG1-CG 4.48Å
106	K	96.9	Very high	95.8	Very high	61 Å²	61	63.8 Å²	63.8	27%	0.265	33%	0.33	S	S	.	.			trans	-114.6	104	169.5	-50.4	-69.3	-166.7	-176.3	0	110.4	P75 E104 Y108 H109 Y122	P75-K106 PolarHBondContact O-N 3.41Å; E104-K106 VanDerWaalsContact CD-CE 3.42Å; E104-K106 PolarHBondContact O-N 3.31Å; E104-K106 WeakPolarHBondContact OE1-CE 3.34Å; E104-K106 IonicContact OE1-NZ 3.56Å; E104-K106 PolarHBondContact OE1-NZ 3.15Å; E104-K106 WeakPolarHBondContact OE2-CE 3.45Å; E104-K106 IonicContact OE2-NZ 2.91Å; E104-K106 PolarHBondContact OE2-NZ 3.48Å; E104-K106 VanDerWaalsContact OE2-NZ 3.13Å; K106-Y108 PolarHBondContact O-N 3.35Å; K106-H109 HydrophobicContact CB-CB 4.05Å; K106-H109 WeakPolarHBondContact CB-ND1 3.07Å; K106-H109 PolarHBondContact O-N 2.9Å; K106-Y122 HydrophobicContact CB-CE1 4.27Å; K106-Y122 WeakPolarHBondContact CB-OH 3.25Å; K106-Y122 HydrophobicContact CG-CE1 3.98Å
107	R	95.9	Very high	95.7	Very high	184 Å²	184	70 Å²	70	69%	0.694	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.4	-173.4	-59	-174.7	-168.9	-175.5	1.9	115.8	V105	V105-R107 HydrophobicContact CG1-CG 4.48Å
108	Y	96.5	Very high	95.8	Very high	67 Å²	67	66.5 Å²	66.5	26%	0.263	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	38.4	-171.2	-52.6	-54.3	0	0	0	111.3	K106 Y124 V125 F132 D133	K106-Y108 PolarHBondContact O-N 3.35Å; Y108-Y124 HydrophobicContact CD2-CE2 4.26Å; Y108-Y124 HydrophobicContact CG-CE2 4.32Å; Y108-Y124 CarbonylContact O-C 3.41Å; Y108-Y124 WeakPolarHBondContact O-CA 3.45Å; Y108-Y124 WeakPolarHBondContact O-CD2 3.3Å; Y108-V125 PolarHBondContact O-N 3.48Å; Y108-F132 AromaticContact CD1-CE2 3.61Å; Y108-F132 HydrophobicContact CD1-CE2 3.61Å; Y108-F132 AromaticContact CD1-CZ 3.94Å; Y108-F132 HydrophobicContact CD1-CZ 3.94Å; Y108-F132 HydrophobicContact CE1-CD2 4.32Å; Y108-F132 AromaticContact CE1-CE2 3.64Å; Y108-F132 HydrophobicContact CE1-CE2 3.64Å; Y108-F132 HydrophobicContact CE1-CZ 4.41Å; Y108-D133 WeakPolarHBondContact CE1-O 3.32Å; Y108-D133 WeakPolarHBondContact CE1-OXT 3.41Å; Y108-D133 PolarHBondContact OH-O 3.12Å; Y108-D133 VanDerWaalsContact OH-O 3.1Å; Y108-D133 PolarHBondContact OH-OXT 3.38Å
109	H	97.2	Very high	95.8	Very high	38 Å²	38	67.7 Å²	67.7	18%	0.176	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.5	177.7	-75.2	46.7	0	0	0	110.8	V73 V74 K106 Y122 N123 Y124	V73-H109 CarbonylContact C-O 3.56Å; V73-H109 VanDerWaalsContact CA-O 3.31Å; V73-H109 WeakPolarHBondContact CA-O 3.31Å; V73-H109 VanDerWaalsContact CB-O 3.25Å; V73-H109 WeakPolarHBondContact CB-O 3.42Å; V74-H109 PolarHBondContact N-O 3.16Å; K106-H109 HydrophobicContact CB-CB 4.05Å; K106-H109 WeakPolarHBondContact CB-ND1 3.07Å; K106-H109 PolarHBondContact O-N 2.9Å; H109-Y122 HydrophobicContact CB-CD1 4.33Å; H109-Y122 HydrophobicContact CB-CD2 4.16Å; H109-Y122 HydrophobicContact CB-CE1 3.76Å; H109-Y122 HydrophobicContact CB-CE2 3.57Å; H109-Y122 AromaticContact CD2-CD1 3.68Å; H109-Y122 AromaticContact CD2-CE1 3.47Å; H109-Y122 VanDerWaalsContact CD2-CE1 3.47Å; H109-Y122 WeakPolarHBondContact CD2-CE1 3.29Å; H109-Y122 AromaticContact CG-CE1 3.82Å; H109-Y122 AromaticContact CG-CZ 3.93Å; H109-N123 CarbonylContact C-O 3.51Å; H109-N123 VanDerWaalsContact CA-O 3.27Å; H109-N123 WeakPolarHBondContact CA-O 3.26Å; H109-Y124 AromaticContact CE1-CD2 3.97Å
110	R	95.8	Very high	95.8	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	153.2	172.6	61.8	174.5	-178.2	152.9	-5.8	109.7	F52 N69 Y122 N123 V125	F52-R110 HydrophobicContact CD1-CB 3.91Å; F52-R110 HydrophobicContact CE1-CB 3.63Å; F52-R110 HydrophobicContact CE1-CG 4.29Å; F52-R110 HydrophobicContact CZ-CB 4.16Å; F52-R110 HydrophobicContact CZ-CG 4.34Å; N69-R110 PolarHBondContact OD1-NH1 3.03Å; R110-Y122 WeakPolarHBondContact O-CA 3.41Å; R110-N123 WeakPolarHBondContact CG-O 2.99Å; R110-N123 PolarHBondContact N-O 3.24Å; R110-N123 PolarHBondContact O-N 3.39Å; R110-V125 HydrophobicContact CB-CG2 3.57Å; R110-V125 HydrophobicContact CG-CG2 3.76Å
111	C	97.6	Very high	95.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.7	167.8	-165.8	0	0	0	0	109.7	F70 V74 C80 C84 F121	F70-C111 HydrophobicContact CB-CB 4.29Å; F70-C111 HydrophobicContact CD2-CB 3.62Å; F70-C111 HydrophobicContact CE2-CB 4.37Å; F70-C111 HydrophobicContact CG-CB 4.25Å; F70-C111 PolarHBondContact N-O 3.4Å; V74-C111 HydrophobicContact CB-CB 4.03Å; V74-C111 HydrophobicContact CG2-CB 3.53Å; C80-C111 VanDerWaalsContact C-SG 3.56Å; C80-C111 WeakPolarHBondContact CA-SG 2.99Å; C80-C111 HydrophobicContact CB-CB 3.71Å; C80-C111 WeakPolarHBondContact CB-SG 3.5Å; C80-C111 PolarHBondContact O-SG 3.23Å; C80-C111 VanDerWaalsContact SG-CA 3.53Å; C80-C111 WeakPolarHBondContact SG-CB 3.32Å; C80-C111 CovalentContact SG-SG 2.04Å; C80-C111 PolarHBondContact SG-SG 3.46Å; C84-C111 VanDerWaalsContact SG-SG 3.63Å; C111-F121 WeakPolarHBondContact CA-O 3.42Å
112	R	96.9	Very high	95.8	Very high	19 Å²	19	60.8 Å²	60.8	7%	0.072	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	128.9	173.9	-179	-173.8	-179.3	-129.5	-6.3	110.4	L46 T67 G68 C120 F121	L46-R112 VanDerWaalsContact CD1-NH1 3.29Å; T67-R112 PolarHBondContact O-NE 3.42Å; T67-R112 PolarHBondContact O-NH2 3.43Å; G68-R112 CarbonylContact O-C 3.5Å; G68-R112 VanDerWaalsContact O-CA 3.24Å; G68-R112 WeakPolarHBondContact O-CA 3.47Å; G68-R112 VanDerWaalsContact O-CG 3.3Å; G68-R112 WeakPolarHBondContact O-CG 3.02Å; R112-C120 WeakPolarHBondContact O-CA 2.97Å; R112-F121 HydrophobicContact CB-CB 4.24Å; R112-F121 PolarHBondContact N-O 3.36Å; R112-F121 PolarHBondContact O-N 3Å
113	C	96.8	Very high	95.6	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.7	166.6	170.4	0	0	0	0	108.6	F63 G68 C84 M87 C89 P115	F63-C113 HydrophobicContact CE2-CB 4.36Å; G68-C113 VanDerWaalsContact CA-O 3.31Å; G68-C113 WeakPolarHBondContact CA-O 3.44Å; G68-C113 PolarHBondContact O-N 3.01Å; C84-C113 HydrophobicContact CB-CB 4.5Å; M87-C113 HydrophobicContact CB-CB 4.05Å; C89-C113 HydrophobicContact CB-CB 3.88Å; C89-C113 WeakPolarHBondContact CB-SG 3.12Å; C89-C113 VanDerWaalsContact SG-C 3.57Å; C89-C113 WeakPolarHBondContact SG-CA 3.46Å; C89-C113 WeakPolarHBondContact SG-CB 3.3Å; C89-C113 CovalentContact SG-SG 2.04Å; C89-C113 PolarHBondContact SG-SG 3.46Å; C113-P115 WeakPolarHBondContact O-CD 3.47Å
114	F	93.5	Very high	95.4	Very high	48 Å²	48	60.5 Å²	60.5	21%	0.211	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	89.5	173.5	-165.5	-158.6	0	0	0	109.2	C89 E116 Y117 N118 M119 F121	C89-F114 PolarHBondContact SG-N 3.18Å; F114-E116 WeakPolarHBondContact CD2-OE2 3.36Å; F114-E116 HydrophobicContact CE2-CB 4.18Å; F114-E116 VanDerWaalsContact CE2-CD 3.42Å; F114-E116 HydrophobicContact CE2-CG 4.24Å; F114-E116 WeakPolarHBondContact CE2-OE2 3.41Å; F114-E116 HydrophobicContact CZ-CB 4.46Å; F114-E116 PolarHBondContact O-N 2.61Å; F114-Y117 AromaticContact CD1-CD2 3.38Å; F114-Y117 HydrophobicContact CD1-CD2 3.38Å; F114-Y117 AromaticContact CD1-CE2 3.96Å; F114-Y117 HydrophobicContact CD1-CE2 3.96Å; F114-Y117 HydrophobicContact CD1-CG 4.42Å; F114-Y117 AromaticContact CE1-CD2 3.15Å; F114-Y117 HydrophobicContact CE1-CD2 3.15Å; F114-Y117 AromaticContact CE1-CE2 3.21Å; F114-Y117 HydrophobicContact CE1-CE2 3.21Å; F114-Y117 HydrophobicContact CE1-CG 4.44Å; F114-Y117 HydrophobicContact CG-CD2 4.19Å; F114-Y117 AromaticContact CZ-CD2 3.78Å; F114-Y117 HydrophobicContact CZ-CD2 3.78Å; F114-Y117 AromaticContact CZ-CE2 3.61Å; F114-Y117 HydrophobicContact CZ-CE2 3.61Å; F114-Y117 PolarHBondContact O-N 3.13Å; F114-Y117 VanDerWaalsContact O-N 3.12Å; F114-N118 PolarHBondContact O-N 2.78Å; F114-N118 VanDerWaalsContact O-N 3.08Å; F114-M119 PolarHBondContact N-O 3.19Å; F114-M119 PolarHBondContact O-N 3.05Å; F114-F121 HydrophobicContact CB-CD2 4.26Å; F114-F121 HydrophobicContact CB-CE2 3.7Å; F114-F121 HydrophobicContact CD1-CE2 4.1Å; F114-F121 HydrophobicContact CD1-CZ 4.36Å; F114-F121 HydrophobicContact CG-CE2 4.4Å
115	P	87.9	Confident	95.2	Very high	66 Å²	66	55.9 Å²	55.9	43%	0.429	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.9	-33.6	-170.3	-26.6	34.8	0	0	0	114	C113 Y117 N118	C113-P115 WeakPolarHBondContact O-CD 3.47Å; P115-Y117 PolarHBondContact O-N 2.74Å; P115-N118 PolarHBondContact O-N 3.1Å; P115-N118 PolarHBondContact O-OD1 3.23Å
116	E	88.7	Confident	95	Very high	139 Å²	139	53.5 Å²	53.5	65%	0.65	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-58.6	-24.4	-179.5	-64.4	89.7	152.3	0	0	112.8	F114	F114-E116 WeakPolarHBondContact CD2-OE2 3.36Å; F114-E116 HydrophobicContact CE2-CB 4.18Å; F114-E116 VanDerWaalsContact CE2-CD 3.42Å; F114-E116 HydrophobicContact CE2-CG 4.24Å; F114-E116 WeakPolarHBondContact CE2-OE2 3.41Å; F114-E116 HydrophobicContact CZ-CB 4.46Å; F114-E116 PolarHBondContact O-N 2.61Å
117	Y	91.2	Very high	94.8	Very high	145 Å²	145	56.7 Å²	56.7	57%	0.569	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-120.5	6.1	175.2	-60.5	-83.6	0	0	0	113.2	F114 P115 M119	F114-Y117 AromaticContact CD1-CD2 3.38Å; F114-Y117 HydrophobicContact CD1-CD2 3.38Å; F114-Y117 AromaticContact CD1-CE2 3.96Å; F114-Y117 HydrophobicContact CD1-CE2 3.96Å; F114-Y117 HydrophobicContact CD1-CG 4.42Å; F114-Y117 AromaticContact CE1-CD2 3.15Å; F114-Y117 HydrophobicContact CE1-CD2 3.15Å; F114-Y117 AromaticContact CE1-CE2 3.21Å; F114-Y117 HydrophobicContact CE1-CE2 3.21Å; F114-Y117 HydrophobicContact CE1-CG 4.44Å; F114-Y117 HydrophobicContact CG-CD2 4.19Å; F114-Y117 AromaticContact CZ-CD2 3.78Å; F114-Y117 HydrophobicContact CZ-CD2 3.78Å; F114-Y117 AromaticContact CZ-CE2 3.61Å; F114-Y117 HydrophobicContact CZ-CE2 3.61Å; F114-Y117 PolarHBondContact O-N 3.13Å; F114-Y117 VanDerWaalsContact O-N 3.12Å; P115-Y117 PolarHBondContact O-N 2.74Å; Y117-M119 HydrophobicContact CD1-CE 4.31Å; Y117-M119 HydrophobicContact CD2-CE 4.27Å; Y117-M119 HydrophobicContact CG-CE 3.75Å; Y117-M119 WeakPolarHBondContact O-CG 3.4Å; Y117-M119 PolarHBondContact O-N 3.19Å; Y117-M119 VanDerWaalsContact O-N 3.1Å
118	N	95.2	Very high	94.6	Very high	82 Å²	82	53.9 Å²	53.9	44%	0.439	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	26.3	-172.3	-56.8	-50.2	0	0	0	113.9	C89 T90 E91 F114 P115	C89-N118 CarbonylContact C-O 3.52Å; C89-N118 WeakPolarHBondContact CA-O 3.32Å; T90-N118 PolarHBondContact N-O 3.48Å; T90-N118 VanDerWaalsContact N-O 3.11Å; E91-N118 WeakPolarHBondContact CB-O 3.47Å; E91-N118 PolarHBondContact N-O 3.05Å; F114-N118 PolarHBondContact O-N 2.78Å; F114-N118 VanDerWaalsContact O-N 3.08Å; P115-N118 PolarHBondContact O-N 3.1Å; P115-N118 PolarHBondContact O-OD1 3.23Å
119	M	96.8	Very high	94.6	Very high	47 Å²	47	51.9 Å²	51.9	23%	0.232	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.6	-170.3	-77.6	-165	-72	0	0	112.7	C89 E91 F114 Y117 F121	C89-M119 PolarHBondContact SG-O 3.06Å; C89-M119 VanDerWaalsContact SG-O 3.4Å; E91-M119 HydrophobicContact CB-CG 4.25Å; E91-M119 CarbonylContact O-C 3.57Å; E91-M119 WeakPolarHBondContact O-CA 3.49Å; F114-M119 PolarHBondContact N-O 3.19Å; F114-M119 PolarHBondContact O-N 3.05Å; Y117-M119 HydrophobicContact CD1-CE 4.31Å; Y117-M119 HydrophobicContact CD2-CE 4.27Å; Y117-M119 HydrophobicContact CG-CE 3.75Å; Y117-M119 WeakPolarHBondContact O-CG 3.4Å; Y117-M119 PolarHBondContact O-N 3.19Å; Y117-M119 VanDerWaalsContact O-N 3.1Å; M119-F121 HydrophobicContact CB-CD2 4.37Å; M119-F121 HydrophobicContact CB-CE2 3.67Å; M119-F121 HydrophobicContact CB-CZ 4.25Å; M119-F121 HydrophobicContact CE-CE2 4.41Å; M119-F121 HydrophobicContact CE-CZ 3.96Å; M119-F121 HydrophobicContact SD-CZ 4.41Å
120	C	97.7	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.1	172.1	-165.6	0	0	0	0	111.3	F81 C84 E91 W92 N93 N96 R112	F81-C120 HydrophobicContact CD2-CB 4.19Å; C84-C120 HydrophobicContact CB-CB 3.51Å; C84-C120 WeakPolarHBondContact CB-SG 3.48Å; C84-C120 VanDerWaalsContact SG-CA 3.58Å; C84-C120 WeakPolarHBondContact SG-CB 3.45Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 3.42Å; E91-C120 PolarHBondContact O-N 3.07Å; W92-C120 HydrophobicContact CE3-CB 3.86Å; W92-C120 HydrophobicContact CZ3-CB 4.19Å; N93-C120 VanDerWaalsContact CB-O 3.28Å; N93-C120 WeakPolarHBondContact CB-O 3.33Å; N93-C120 PolarHBondContact N-O 3.42Å; N96-C120 PolarHBondContact ND2-O 2.04Å; R112-C120 WeakPolarHBondContact O-CA 2.97Å
121	F	97	Very high	94.4	Very high	27 Å²	27	55.9 Å²	55.9	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.9	-179.9	-63.8	-104	0	0	0	110.5	N93 N96 C111 R112 F114 M119	N93-F121 HydrophobicContact CB-CD1 4.26Å; N93-F121 HydrophobicContact CB-CE1 4.38Å; N93-F121 WeakPolarHBondContact ND2-CE1 3.46Å; N93-F121 WeakPolarHBondContact ND2-CZ 3.5Å; N96-F121 WeakPolarHBondContact OD1-CA 3.46Å; C111-F121 WeakPolarHBondContact CA-O 3.42Å; R112-F121 HydrophobicContact CB-CB 4.24Å; R112-F121 PolarHBondContact N-O 3.36Å; R112-F121 PolarHBondContact O-N 3Å; F114-F121 HydrophobicContact CB-CD2 4.26Å; F114-F121 HydrophobicContact CB-CE2 3.7Å; F114-F121 HydrophobicContact CD1-CE2 4.1Å; F114-F121 HydrophobicContact CD1-CZ 4.36Å; F114-F121 HydrophobicContact CG-CE2 4.4Å; M119-F121 HydrophobicContact CB-CD2 4.37Å; M119-F121 HydrophobicContact CB-CE2 3.67Å; M119-F121 HydrophobicContact CB-CZ 4.25Å; M119-F121 HydrophobicContact CE-CE2 4.41Å; M119-F121 HydrophobicContact CE-CZ 3.96Å; M119-F121 HydrophobicContact SD-CZ 4.41Å
122	Y	97.5	Very high	94.2	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	100.3	177.6	-170	-113.1	0	0	0	109.2	V74 P75 P77 C80 W92 N96 I98 K106 H109 R110	V74-Y122 HydrophobicContact CB-CE2 4.46Å; V74-Y122 VanDerWaalsContact O-CE2 3.25Å; V74-Y122 WeakPolarHBondContact O-CE2 3.3Å; V74-Y122 PolarHBondContact O-OH 2.84Å; P75-Y122 VanDerWaalsContact C-OH 3.31Å; P75-Y122 PolarHBondContact O-OH 3.1Å; P75-Y122 VanDerWaalsContact O-OH 3.06Å; P77-Y122 HydrophobicContact CG-CD1 3.94Å; P77-Y122 HydrophobicContact CG-CE1 3.66Å; C80-Y122 HydrophobicContact CB-CD2 3.75Å; C80-Y122 HydrophobicContact CB-CE2 4.11Å; W92-Y122 VanDerWaalsContact CH2-CB 3.44Å; W92-Y122 HydrophobicContact CH2-CG 4.03Å; W92-Y122 HydrophobicContact CZ2-CG 4.44Å; N96-Y122 PolarHBondContact OD1-N 2.84Å; I98-Y122 HydrophobicContact CG2-CD1 3.99Å; K106-Y122 HydrophobicContact CB-CE1 4.27Å; K106-Y122 WeakPolarHBondContact CB-OH 3.25Å; K106-Y122 HydrophobicContact CG-CE1 3.98Å; H109-Y122 HydrophobicContact CB-CD1 4.33Å; H109-Y122 HydrophobicContact CB-CD2 4.16Å; H109-Y122 HydrophobicContact CB-CE1 3.76Å; H109-Y122 HydrophobicContact CB-CE2 3.57Å; H109-Y122 AromaticContact CD2-CD1 3.68Å; H109-Y122 AromaticContact CD2-CE1 3.47Å; H109-Y122 VanDerWaalsContact CD2-CE1 3.47Å; H109-Y122 WeakPolarHBondContact CD2-CE1 3.29Å; H109-Y122 AromaticContact CG-CE1 3.82Å; H109-Y122 AromaticContact CG-CZ 3.93Å; R110-Y122 WeakPolarHBondContact O-CA 3.41Å
123	N	94.9	Very high	93.4	Very high	28 Å²	28	63.1 Å²	63.1	15%	0.15	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.6	-169	-54.5	133.5	0	0	0	111.7	H109 R110	H109-N123 CarbonylContact C-O 3.51Å; H109-N123 VanDerWaalsContact CA-O 3.27Å; H109-N123 WeakPolarHBondContact CA-O 3.26Å; R110-N123 WeakPolarHBondContact CG-O 2.99Å; R110-N123 PolarHBondContact N-O 3.24Å; R110-N123 PolarHBondContact O-N 3.39Å
124	Y	94.3	Very high	93.3	Very high	120 Å²	120	66.3 Å²	66.3	47%	0.471	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	142.1	172.6	178	-104.2	0	0	0	112	Y108 H109 P126	Y108-Y124 HydrophobicContact CD2-CE2 4.26Å; Y108-Y124 HydrophobicContact CG-CE2 4.32Å; Y108-Y124 CarbonylContact O-C 3.41Å; Y108-Y124 WeakPolarHBondContact O-CA 3.45Å; Y108-Y124 WeakPolarHBondContact O-CD2 3.3Å; H109-Y124 AromaticContact CE1-CD2 3.97Å; Y124-P126 HydrophobicContact CD1-CG 4.45Å; Y124-P126 HydrophobicContact CE1-CB 4.43Å; Y124-P126 HydrophobicContact CE1-CG 4.45Å
125	V	93.8	Very high	93.3	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.326	C	S	.	.			trans	-103.9	111.2	174.6	-172.4	0	0	0	0	109.1	F52 V73 Y108 R110 H129 R130	F52-V125 HydrophobicContact CB-CG1 4.17Å; F52-V125 HydrophobicContact CD2-CG1 3.51Å; F52-V125 HydrophobicContact CD2-CG2 4.25Å; F52-V125 HydrophobicContact CE2-CG1 4.24Å; F52-V125 HydrophobicContact CG-CG1 4.04Å; F52-V125 HydrophobicContact CG-CG2 4.26Å; V73-V125 HydrophobicContact CG1-CG2 4.25Å; Y108-V125 PolarHBondContact O-N 3.48Å; R110-V125 HydrophobicContact CB-CG2 3.57Å; R110-V125 HydrophobicContact CG-CG2 3.76Å; V125-H129 HydrophobicContact CG1-CB 3.83Å; V125-R130 HydrophobicContact CB-CG 4.16Å; V125-R130 HydrophobicContact CG1-CG 3.61Å; V125-R130 PolarHBondContact O-NE 3.31Å; V125-R130 VanDerWaalsContact O-NE 3.15Å
126	P	92.8	Very high	93.6	Very high	44 Å²	44	67.3 Å²	67.3	29%	0.286	32%	0.32	S	S	.	.			trans	-59.1	149.7	175.1	-22.8	33.6	0	0	0	112.4	I47 Y124 I128 H129	I47-P126 HydrophobicContact CD1-CG 4.17Å; Y124-P126 HydrophobicContact CD1-CG 4.45Å; Y124-P126 HydrophobicContact CE1-CB 4.43Å; Y124-P126 HydrophobicContact CE1-CG 4.45Å; P126-I128 HydrophobicContact CB-CG1 4.18Å; P126-I128 PolarHBondContact O-N 3.46Å; P126-I128 VanDerWaalsContact O-N 3.11Å; P126-H129 PolarHBondContact O-N 3.1Å
127	K	92.5	Very high	93.9	Very high	128 Å²	128	63.1 Å²	63.1	56%	0.557	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-52.1	-38.6	-177.4	-169	171.5	-175.3	168.2	0	113.4	H129 R130 D133	K127-H129 PolarHBondContact O-N 3.27Å; K127-H129 VanDerWaalsContact O-N 3.11Å; K127-R130 PolarHBondContact O-N 3.43Å; K127-D133 IonicContact NZ-OD1 3.4Å; K127-D133 PolarHBondContact NZ-OD1 3.18Å
128	I	92.9	Very high	94	Very high	125 Å²	125	57.9 Å²	57.9	64%	0.641	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.2	-19.4	179.1	60.7	167.7	0	0	0	113.8	K51 P126	K51-I128 PolarHBondContact NZ-O 2.89Å; P126-I128 HydrophobicContact CB-CG1 4.18Å; P126-I128 PolarHBondContact O-N 3.46Å; P126-I128 VanDerWaalsContact O-N 3.11Å
129	H	94.6	Very high	93.9	Very high	25 Å²	25	56.3 Å²	56.3	12%	0.116	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-103.3	9.3	177.2	-63.8	-71.5	0	0	0	112.7	I47 L50 K51 F52 V125 P126 K127	I47-H129 WeakPolarHBondContact CD1-CD2 3.29Å; I47-H129 PolarHBondContact O-CE1 3.3Å; I47-H129 PolarHBondContact O-ND1 2.52Å; L50-H129 PolarHBondContact O-ND1 2.96Å; L50-H129 VanDerWaalsContact O-ND1 3.14Å; K51-H129 CarbonylContact C-O 3.56Å; K51-H129 WeakPolarHBondContact CA-O 3.28Å; F52-H129 HydrophobicContact CD2-CB 4.3Å; F52-H129 WeakPolarHBondContact CD2-O 3.48Å; F52-H129 PolarHBondContact N-O 3.21Å; V125-H129 HydrophobicContact CG1-CB 3.83Å; P126-H129 PolarHBondContact O-N 3.1Å; K127-H129 PolarHBondContact O-N 3.27Å; K127-H129 VanDerWaalsContact O-N 3.11Å
130	R	94.7	Very high	93.7	Very high	23 Å²	23	57 Å²	57	9%	0.087	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-105.6	142.7	177.1	-63.6	-172.7	-86.9	131.6	-5.3	110.4	F52 V125 K127 F132 D133	F52-R130 WeakPolarHBondContact O-CA 3.35Å; V125-R130 HydrophobicContact CB-CG 4.16Å; V125-R130 HydrophobicContact CG1-CG 3.61Å; V125-R130 PolarHBondContact O-NE 3.31Å; V125-R130 VanDerWaalsContact O-NE 3.15Å; K127-R130 PolarHBondContact O-N 3.43Å; R130-F132 HydrophobicContact CB-CD1 3.97Å; R130-F132 HydrophobicContact CB-CE1 3.89Å; R130-F132 WeakPolarHBondContact CB-O 3.27Å; R130-F132 HydrophobicContact CG-CD1 4.44Å; R130-F132 HydrophobicContact CG-CE1 3.85Å; R130-F132 HydrophobicContact CG-CZ 4.17Å; R130-D133 PolarHBondContact NH1-OXT 2.7Å
131	N	94.3	Very high	93.4	Very high	103 Å²	103	61.4 Å²	61.4	55%	0.551	30%	0.298	S	S	*	.	S	Bend	trans	-103.4	22.2	169.3	-79.6	-3.2	0	0	0	111.8	K51 F52 T53	K51-N131 WeakPolarHBondContact CB-ND2 3.41Å; K51-N131 VanDerWaalsContact CD-OD1 3.3Å; K51-N131 WeakPolarHBondContact CD-OD1 3.5Å; K51-N131 WeakPolarHBondContact CG-OD1 3.3Å; F52-N131 PolarHBondContact O-N 3.27Å; T53-N131 HydrophobicContact CG2-CB 4.4Å
132	F	93.3	Very high	93.1	Very high	30 Å²	30	64.3 Å²	64.3	13%	0.132	31%	0.313	C	S	.	.			trans	-152.2	165.4	-178.4	68.9	-79.3	0	0	0	109	F52 T53 E54 V73 Y108 R130	F52-F132 WeakPolarHBondContact O-CD1 3.29Å; F52-F132 WeakPolarHBondContact O-CE1 3.38Å; T53-F132 VanDerWaalsContact C-CD1 3.4Å; T53-F132 VanDerWaalsContact C-CE1 3.4Å; T53-F132 VanDerWaalsContact O-CE1 3.3Å; T53-F132 WeakPolarHBondContact O-CE1 3.36Å; E54-F132 HydrophobicContact CG-CB 3.55Å; E54-F132 HydrophobicContact CG-CD1 4.28Å; E54-F132 HydrophobicContact CG-CD2 3.7Å; E54-F132 HydrophobicContact CG-CE2 4.45Å; E54-F132 HydrophobicContact CG-CG 3.59Å; V73-F132 HydrophobicContact CB-CZ 4.31Å; V73-F132 HydrophobicContact CG1-CE1 3.88Å; V73-F132 HydrophobicContact CG1-CZ 3.59Å; V73-F132 HydrophobicContact CG2-CE1 4.38Å; V73-F132 HydrophobicContact CG2-CE2 4.37Å; V73-F132 HydrophobicContact CG2-CZ 3.76Å; Y108-F132 AromaticContact CD1-CE2 3.61Å; Y108-F132 HydrophobicContact CD1-CE2 3.61Å; Y108-F132 AromaticContact CD1-CZ 3.94Å; Y108-F132 HydrophobicContact CD1-CZ 3.94Å; Y108-F132 HydrophobicContact CE1-CD2 4.32Å; Y108-F132 AromaticContact CE1-CE2 3.64Å; Y108-F132 HydrophobicContact CE1-CE2 3.64Å; Y108-F132 HydrophobicContact CE1-CZ 4.41Å; R130-F132 HydrophobicContact CB-CD1 3.97Å; R130-F132 HydrophobicContact CB-CE1 3.89Å; R130-F132 WeakPolarHBondContact CB-O 3.27Å; R130-F132 HydrophobicContact CG-CD1 4.44Å; R130-F132 HydrophobicContact CG-CE1 3.85Å; R130-F132 HydrophobicContact CG-CZ 4.17Å
133	D	81.8	Confident	92.7	Very high	141 Å²	141	69.7 Å²	69.7	75%	0.754	34%	0.34	S	S	*	.			trans	-90.8	0	-172.8	-82.3	-47.8	0	0	0	115.2	Y108 K127 R130	Y108-D133 WeakPolarHBondContact CE1-O 3.32Å; Y108-D133 WeakPolarHBondContact CE1-OXT 3.41Å; Y108-D133 PolarHBondContact OH-O 3.12Å; Y108-D133 VanDerWaalsContact OH-O 3.1Å; Y108-D133 PolarHBondContact OH-OXT 3.38Å; K127-D133 IonicContact NZ-OD1 3.4Å; K127-D133 PolarHBondContact NZ-OD1 3.18Å; R130-D133 PolarHBondContact NH1-OXT 2.7Å

Retrieved 133 of 133 residues in 212.4 ms (Link to these results)

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