A0A077YXY9_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 aa.

						>A0A077YXY9_TRITR|A0A077YXY9
MTESLRRQRLHEAPICAACKKPIDKGACITALAPNSTRAQKYHPAHFVCSYCMKPLNLKGTYREHQRKPYCHECFYRLYSGHIYETTSKI
					

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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	47.4	Very low	55.7	Low	239 Å²	239	182.5 Å²	182.5	100%	1.177	86%	0.855	S	S	*	*				0	84.7	0	-61.6	-173	-177.9	0	0	107.7
2	T	42.6	Very low	57.4	Low	131 Å²	131	182 Å²	182	80%	0.804	85%	0.852	S	S	*	*			trans	-104.5	87.2	-176.1	44.4	0	0	0	0	108.2	S4	T2-S4 PolarHBondContact O-N 3.37Å; T2-S4 VanDerWaalsContact O-N 3.1Å; T2-S4 PolarHBondContact O-OG 2.99Å
3	E	52.4	Low	59.4	Low	199 Å²	199	171.3 Å²	171.3	93%	0.93	81%	0.814	S	S	*	*			trans	-57.6	114.6	178.2	-76.9	-174.5	81.4	0	0	110.5
4	S	58.5	Low	61.6	Low	101 Å²	101	162.6 Å²	162.6	71%	0.706	78%	0.779	S	S	*	*			trans	-82.9	130.1	-167.1	-60	0	0	0	0	110.6	T2 R6	T2-S4 PolarHBondContact O-N 3.37Å; T2-S4 VanDerWaalsContact O-N 3.1Å; T2-S4 PolarHBondContact O-OG 2.99Å; S4-R6 PolarHBondContact O-N 3.26Å; S4-R6 VanDerWaalsContact O-N 3.14Å
5	L	57.3	Low	63.6	Low	155 Å²	155	157.7 Å²	157.7	81%	0.812	76%	0.757	S	S	*	*			trans	2.5	88	162.1	-71	91	0	0	0	117.5
6	R	57.4	Low	65.6	Low	229 Å²	229	147.8 Å²	147.8	86%	0.864	71%	0.71	S	S	*	*			trans	-95.1	65	149.1	-88.6	-176.8	153.9	173.8	-5.1	110.1	S4 Q8	S4-R6 PolarHBondContact O-N 3.26Å; S4-R6 VanDerWaalsContact O-N 3.14Å; R6-Q8 PolarHBondContact O-N 3.03Å
7	R	56.5	Low	67.2	Low	227 Å²	227	140.3 Å²	140.3	86%	0.857	68%	0.678	S	S	*	*			trans	-80.5	70.2	163	-71.2	-161	170.1	-128.9	-1.8	108.8	R9	R7-R9 PolarHBondContact O-N 3.46Å
8	Q	57.9	Low	68.6	Low	152 Å²	152	135.6 Å²	135.6	71%	0.71	67%	0.666	S	S	*	*			trans	-56	123.7	158.6	-71.1	174.6	-71.5	0	0	105.9	R6 L10	R6-Q8 PolarHBondContact O-N 3.03Å; Q8-L10 PolarHBondContact O-N 3.18Å
9	R	56.2	Low	70	Confident	243 Å²	243	130.5 Å²	130.5	92%	0.917	65%	0.645	S	S	*	*			trans	-63.3	78.4	167.1	-71	-171.8	-174.7	-165.8	2.5	107.6	R7 H11	R7-R9 PolarHBondContact O-N 3.46Å; R9-H11 PolarHBondContact O-N 2.87Å
10	L	62.7	Low	71.2	Confident	150 Å²	150	131.7 Å²	131.7	79%	0.785	65%	0.646	S	S	*	*			trans	-58.7	112	162.4	-138.9	78.3	0	0	0	103.4	Q8 E12	Q8-L10 PolarHBondContact O-N 3.18Å; L10-E12 PolarHBondContact O-N 2.89Å
11	H	64.1	Low	72.2	Confident	182 Å²	182	132.1 Å²	132.1	84%	0.843	64%	0.644	S	S	*	*			trans	-48.2	115.5	168.4	-86.6	73.3	0	0	0	106.1	R9 A13	R9-H11 PolarHBondContact O-N 2.87Å; H11-A13 PolarHBondContact O-N 3.35Å
12	E	75.7	Confident	74.3	Confident	176 Å²	176	124.6 Å²	124.6	82%	0.822	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.2	-175.5	68.9	-177.1	89.3	0	0	107.4	L10	L10-E12 PolarHBondContact O-N 2.89Å
13	A	84.2	Confident	76.6	Confident	43 Å²	43	118.7 Å²	118.7	36%	0.355	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-60	134.3	176.7	0	0	0	0	0	107.8	H11 I15 P22	H11-A13 PolarHBondContact O-N 3.35Å; A13-I15 PolarHBondContact O-N 3.46Å; A13-P22 HydrophobicContact CB-CB 3.96Å
14	P	89.2	Confident	78.2	Confident	50 Å²	50	115.3 Å²	115.3	33%	0.325	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-59.7	134.7	-177.8	21.3	-28	0	0	0	109.8	I23 K41	P14-I23 HydrophobicContact CB-CD1 4.26Å; P14-I23 HydrophobicContact CG-CB 4.18Å; P14-I23 HydrophobicContact CG-CD1 4.26Å; P14-I23 VanDerWaalsContact O-CB 3.27Å; P14-I23 WeakPolarHBondContact O-CB 3.09Å; P14-I23 WeakPolarHBondContact O-CG1 3.46Å; P14-I23 PolarHBondContact O-N 2.85Å; P14-K41 HydrophobicContact CB-CB 4.05Å; P14-K41 HydrophobicContact CB-CG 3.93Å
15	I	92.3	Very high	78.9	Confident	88 Å²	88	120.3 Å²	120.3	45%	0.451	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-84.5	129.8	-179.5	-55.6	-56.4	0	0	0	110.1	A13 A17 P22	A13-I15 PolarHBondContact O-N 3.46Å; I15-A17 PolarHBondContact O-N 3.01Å; I15-P22 HydrophobicContact CD1-CB 4.07Å
16	C	94.9	Very high	79.8	Confident	0 Å²	0	115.9 Å²	115.9	0%	0	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-66.7	120.8	174.7	176.8	0	0	0	0	110.7	A18 C19 K20 K21 I23 K41 H43	C16-A18 PolarHBondContact O-N 3.11Å; C16-C19 VanDerWaalsContact CB-SG 3.55Å; C16-C19 VanDerWaalsContact SG-SG 3.61Å; C16-K20 VanDerWaalsContact O-CA 3.25Å; C16-K20 WeakPolarHBondContact O-CA 3.38Å; C16-K20 PolarHBondContact O-N 3.01Å; C16-K21 PolarHBondContact N-O 3.48Å; C16-I23 HydrophobicContact CB-CD1 4.24Å; C16-I23 HydrophobicContact CB-CG1 3.85Å; C16-K41 CarbonylContact C-O 3.53Å; C16-K41 WeakPolarHBondContact CA-O 3.46Å; C16-H43 WeakPolarHBondContact CB-ND1 2.99Å; C16-H43 PolarHBondContact SG-ND1 2.68Å; C16-H43 VanDerWaalsContact SG-ND1 3.42Å
17	A	93.3	Very high	81.2	Confident	20 Å²	20	108.7 Å²	108.7	17%	0.165	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-23.2	-179.5	0	0	0	0	0	113.5	I15 K20 Q40 K41 Y42	I15-A17 PolarHBondContact O-N 3.01Å; A17-K20 WeakPolarHBondContact O-CE 3.48Å; A17-K20 PolarHBondContact O-NZ 2.77Å; A17-Q40 HydrophobicContact CB-CB 4.12Å; A17-Q40 HydrophobicContact CB-CG 4.46Å; A17-K41 PolarHBondContact N-O 2.89Å; A17-Y42 HydrophobicContact CB-CD1 4.35Å; A17-Y42 HydrophobicContact CB-CE1 3.75Å; A17-Y42 HydrophobicContact CB-CE2 4.11Å
18	A	93.1	Very high	82.8	Confident	56 Å²	56	100.1 Å²	100.1	46%	0.463	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-57.8	176.6	0	0	0	0	0	113	C16 Y42 H46	C16-A18 PolarHBondContact O-N 3.11Å; A18-Y42 HydrophobicContact CB-CD1 3.88Å; A18-Y42 HydrophobicContact CB-CE1 3.96Å; A18-H46 HydrophobicContact CB-CB 3.81Å
19	C	94.3	Very high	84.5	Confident	39 Å²	39	94.9 Å²	94.9	26%	0.264	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.2	-173.7	67.3	0	0	0	0	115	C16 K21 H43 H46	C16-C19 VanDerWaalsContact CB-SG 3.55Å; C16-C19 VanDerWaalsContact SG-SG 3.61Å; C19-K21 PolarHBondContact O-N 3.19Å; C19-K21 VanDerWaalsContact O-N 3.1Å; C19-H43 PolarHBondContact SG-CE1 3.47Å; C19-H43 PolarHBondContact SG-ND1 2.92Å; C19-H43 VanDerWaalsContact SG-ND1 3.45Å; C19-H46 VanDerWaalsContact SG-CE1 3.51Å; C19-H46 PolarHBondContact SG-ND1 3.32Å; C19-H46 VanDerWaalsContact SG-ND1 3.44Å
20	K	93.2	Very high	86.2	Confident	154 Å²	154	86.1 Å²	86.1	67%	0.67	48%	0.48	S	S	*	.			trans	59.3	16.3	-178.2	-47.7	-55.1	-173.4	-164.9	0	115.2	C16 A17	C16-K20 VanDerWaalsContact O-CA 3.25Å; C16-K20 WeakPolarHBondContact O-CA 3.38Å; C16-K20 PolarHBondContact O-N 3.01Å; A17-K20 WeakPolarHBondContact O-CE 3.48Å; A17-K20 PolarHBondContact O-NZ 2.77Å
21	K	92.3	Very high	87.6	Confident	141 Å²	141	79 Å²	79	61%	0.613	44%	0.443	S	S	*	.	S	Bend	trans	-97.3	152.5	174.9	-62.9	-179.5	-177.7	-177.8	0	110.7	C16 C19	C16-K21 PolarHBondContact N-O 3.48Å; C19-K21 PolarHBondContact O-N 3.19Å; C19-K21 VanDerWaalsContact O-N 3.1Å
22	P	91.9	Very high	88.9	Confident	80 Å²	80	76.2 Å²	76.2	52%	0.519	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-58.8	138	171.2	25.5	-33.5	0	0	0	110.3	A13 I15 D24	A13-P22 HydrophobicContact CB-CB 3.96Å; I15-P22 HydrophobicContact CD1-CB 4.07Å; P22-D24 PolarHBondContact O-N 2.78Å
23	I	91.8	Very high	89.5	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.041	40%	0.398	C	S	.	.			trans	-78.3	105.8	170.6	-59.5	166.7	0	0	0	106.3	P14 C16 C28 K41 H43	P14-I23 HydrophobicContact CB-CD1 4.26Å; P14-I23 HydrophobicContact CG-CB 4.18Å; P14-I23 HydrophobicContact CG-CD1 4.26Å; P14-I23 VanDerWaalsContact O-CB 3.27Å; P14-I23 WeakPolarHBondContact O-CB 3.09Å; P14-I23 WeakPolarHBondContact O-CG1 3.46Å; P14-I23 PolarHBondContact O-N 2.85Å; C16-I23 HydrophobicContact CB-CD1 4.24Å; C16-I23 HydrophobicContact CB-CG1 3.85Å; I23-C28 HydrophobicContact CD1-CB 3.9Å; I23-C28 HydrophobicContact CG2-CB 3.91Å; I23-K41 HydrophobicContact CD1-CB 3.87Å; I23-H43 WeakPolarHBondContact CA-NE2 3.49Å
24	D	85	Confident	89.5	Confident	127 Å²	127	71 Å²	71	68%	0.679	41%	0.412	S	S	*	.			trans	-59.6	165.8	178.2	-160.3	-91.4	0	0	0	111.1	P22 G26	P22-D24 PolarHBondContact O-N 2.78Å; D24-G26 PolarHBondContact O-N 3.07Å
25	K	73.3	Confident	89.4	Confident	206 Å²	206	72.3 Å²	72.3	90%	0.896	42%	0.416	S	S	*	.	S	Bend	trans	-52.8	106.1	-173.6	-64.9	-179.8	-179.3	-178.4	0	109.9
26	G	76.4	Confident	89.1	Confident	63 Å²	63	69.4 Å²	69.4	65%	0.649	40%	0.404	S	S	*	.	S	Bend	trans	170	-171.5	-175.8	0	0	0	0	0	113.3	D24 C28	D24-G26 PolarHBondContact O-N 3.07Å; G26-C28 PolarHBondContact O-N 3.28Å
27	A	86.7	Confident	88.7	Confident	78 Å²	78	76.7 Å²	76.7	65%	0.645	45%	0.449	S	S	*	.			trans	-65.8	127.5	176.1	0	0	0	0	0	110.4	P44	A27-P44 HydrophobicContact CB-CG 4.35Å; A27-P44 VanDerWaalsContact O-CD 3.27Å; A27-P44 WeakPolarHBondContact O-CD 3.42Å; A27-P44 WeakPolarHBondContact O-CG 3.38Å
28	C	91	Very high	88.4	Confident	46 Å²	46	84.3 Å²	84.3	31%	0.311	47%	0.473	S	S	.	.			trans	-112.7	145.2	168.8	72.6	0	0	0	0	109.9	I23 G26	I23-C28 HydrophobicContact CD1-CB 3.9Å; I23-C28 HydrophobicContact CG2-CB 3.91Å; G26-C28 PolarHBondContact O-N 3.28Å
29	I	92.5	Very high	88.3	Confident	42 Å²	42	83.5 Å²	83.5	22%	0.215	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.2	170.9	-57.8	-61.1	0	0	0	108.1	K41 Y42 P44 F47 N57	I29-K41 CarbonylContact O-C 3.58Å; I29-K41 WeakPolarHBondContact O-CA 3.22Å; I29-Y42 PolarHBondContact N-O 3.19Å; I29-Y42 PolarHBondContact O-N 2.78Å; I29-P44 HydrophobicContact CG1-CB 4.4Å; I29-P44 HydrophobicContact CG1-CG 4.45Å; I29-F47 HydrophobicContact CB-CB 4.26Å; I29-F47 HydrophobicContact CB-CG 4.32Å; I29-F47 HydrophobicContact CG1-CB 4.23Å; I29-F47 HydrophobicContact CG2-CB 4.21Å; I29-F47 HydrophobicContact CG2-CD1 3.68Å; I29-F47 HydrophobicContact CG2-CD2 4.15Å; I29-F47 HydrophobicContact CG2-CE1 4.01Å; I29-F47 HydrophobicContact CG2-CE2 4.48Å; I29-F47 HydrophobicContact CG2-CG 3.73Å; I29-F47 HydrophobicContact CG2-CZ 4.4Å; I29-N57 HydrophobicContact CD1-CB 4.28Å
30	T	92.7	Very high	88.3	Confident	59 Å²	59	82.8 Å²	82.8	36%	0.362	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.7	169.2	-52.7	0	0	0	0	108.3	L32 A39 K41	T30-L32 HydrophobicContact CG2-CD2 4.26Å; T30-L32 HydrophobicContact CG2-CG 4.1Å; T30-L32 PolarHBondContact O-N 2.94Å; T30-A39 HydrophobicContact CG2-CB 4.12Å; T30-K41 HydrophobicContact CG2-CD 4.08Å; T30-K41 VanDerWaalsContact CG2-NZ 3.3Å; T30-K41 PolarHBondContact OG1-NZ 2.77Å
31	A	92.1	Very high	88.3	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.008	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	107.1	179.8	0	0	0	0	0	108.5	Q40 Y42 F47 Y62	A31-Q40 HydrophobicContact CB-CB 4.33Å; A31-Q40 WeakPolarHBondContact CB-O 3.26Å; A31-Q40 PolarHBondContact N-O 3.15Å; A31-Q40 PolarHBondContact O-N 2.61Å; A31-Q40 VanDerWaalsContact O-N 3.08Å; A31-Y42 HydrophobicContact CB-CD2 3.67Å; A31-Y42 HydrophobicContact CB-CE2 3.52Å; A31-F47 HydrophobicContact CB-CD2 4.18Å; A31-F47 HydrophobicContact CB-CE2 3.56Å; A31-F47 HydrophobicContact CB-CZ 4.22Å; A31-Y62 VanDerWaalsContact CA-OH 3.3Å; A31-Y62 WeakPolarHBondContact CA-OH 3.32Å; A31-Y62 HydrophobicContact CB-CE1 4.23Å; A31-Y62 WeakPolarHBondContact CB-OH 3.1Å; A31-Y62 PolarHBondContact O-OH 3.05Å
32	L	91.6	Very high	88.4	Confident	123 Å²	123	72.3 Å²	72.3	64%	0.644	41%	0.414	S	S	*	.			trans	-112.9	97	173.4	-62.7	174.1	0	0	0	108.3	T30 A39 Y62	T30-L32 HydrophobicContact CG2-CD2 4.26Å; T30-L32 HydrophobicContact CG2-CG 4.1Å; T30-L32 PolarHBondContact O-N 2.94Å; L32-A39 HydrophobicContact CD2-CB 3.38Å; L32-Y62 PolarHBondContact N-OH 2.94Å; L32-Y62 VanDerWaalsContact N-OH 3.15Å
33	A	88.1	Confident	88.5	Confident	10 Å²	10	70.5 Å²	70.5	8%	0.083	40%	0.398	C	S	.	.			trans	-86.4	144.3	175	0	0	0	0	0	108.8	N35 S36 Y62 E64	A33-N35 WeakPolarHBondContact CB-OD1 3.39Å; A33-N35 PolarHBondContact O-N 2.89Å; A33-S36 PolarHBondContact O-N 3.24Å; A33-Y62 HydrophobicContact CB-CD2 4.41Å; A33-Y62 HydrophobicContact CB-CE1 4.2Å; A33-Y62 HydrophobicContact CB-CE2 3.66Å; A33-Y62 WeakPolarHBondContact CB-OH 3.45Å; A33-Y62 PolarHBondContact N-OH 3.49Å; A33-E64 HydrophobicContact CB-CB 3.56Å
34	P	84.8	Confident	88.5	Confident	100 Å²	100	72.7 Å²	72.7	65%	0.649	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.4	177.5	25.1	-34.9	0	0	0	113.2
35	N	85.9	Confident	88.9	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	14.2	-180	69.5	-45.1	0	0	0	113.8	A33 E64	A33-N35 WeakPolarHBondContact CB-OD1 3.39Å; A33-N35 PolarHBondContact O-N 2.89Å; N35-E64 PolarHBondContact ND2-O 2.92Å; N35-E64 PolarHBondContact OD1-N 3.45Å
36	S	85.5	Confident	89.9	Confident	28 Å²	28	64.2 Å²	64.2	20%	0.196	39%	0.386	C	S	.	.			trans	-94.6	135.6	178.4	-168.7	0	0	0	0	111.5	A33 R38 E64	A33-S36 PolarHBondContact O-N 3.24Å; S36-R38 VanDerWaalsContact C-N 3.28Å; S36-R38 PolarHBondContact O-N 3.21Å; S36-R38 PolarHBondContact OG-N 3.4Å; S36-R38 PolarHBondContact OG-O 3.49Å; S36-E64 WeakPolarHBondContact CB-OE2 3.25Å; S36-E64 VanDerWaalsContact OG-CD 3.24Å; S36-E64 PolarHBondContact OG-OE1 3.37Å; S36-E64 PolarHBondContact OG-OE2 2.96Å
37	T	86.6	Confident	90.8	Very high	153 Å²	153	61.7 Å²	61.7	94%	0.939	36%	0.357	S	S	*	.	S	Bend	trans	-72.1	-22.7	174.5	-41.9	0	0	0	0	112.4
38	R	88.1	Confident	91.2	Very high	179 Å²	179	59.3 Å²	59.3	68%	0.675	34%	0.335	S	S	*	.	S	Bend	trans	-152.1	141.8	-177.3	-168.9	179.4	71.9	-179.5	2.8	111.6	S36 Q40	S36-R38 VanDerWaalsContact C-N 3.28Å; S36-R38 PolarHBondContact O-N 3.21Å; S36-R38 PolarHBondContact OG-N 3.4Å; S36-R38 PolarHBondContact OG-O 3.49Å; R38-Q40 PolarHBondContact O-N 3.27Å
39	A	90.9	Very high	91.4	Very high	40 Å²	40	57.1 Å²	57.1	33%	0.331	32%	0.32	S	S	.	.			trans	-52.6	132.6	170.1	0	0	0	0	0	112.6	T30 L32	T30-A39 HydrophobicContact CG2-CB 4.12Å; L32-A39 HydrophobicContact CD2-CB 3.38Å
40	Q	92.9	Very high	91.4	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.112	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.3	169.2	-66.4	-175.4	-80.2	0	0	109.8	A17 A31 R38 Y42 E64 R67	A17-Q40 HydrophobicContact CB-CB 4.12Å; A17-Q40 HydrophobicContact CB-CG 4.46Å; A31-Q40 HydrophobicContact CB-CB 4.33Å; A31-Q40 WeakPolarHBondContact CB-O 3.26Å; A31-Q40 PolarHBondContact N-O 3.15Å; A31-Q40 PolarHBondContact O-N 2.61Å; A31-Q40 VanDerWaalsContact O-N 3.08Å; R38-Q40 PolarHBondContact O-N 3.27Å; Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.47Å; Q40-Y42 VanDerWaalsContact CB-CE2 3.47Å; Q40-Y42 PolarHBondContact NE2-OH 3.03Å; Q40-Y42 PolarHBondContact OE1-OH 3.19Å; Q40-E64 PolarHBondContact OE1-OE2 3.44Å; Q40-R67 PolarHBondContact NE2-O 2.91Å; Q40-R67 PolarHBondContact OE1-O 3.1Å
41	K	93.3	Very high	91.4	Very high	70 Å²	70	60.7 Å²	60.7	30%	0.304	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.9	178.5	-58.2	-70.8	-180	168	0	109.7	P14 C16 A17 I23 I29 T30	P14-K41 HydrophobicContact CB-CB 4.05Å; P14-K41 HydrophobicContact CB-CG 3.93Å; C16-K41 CarbonylContact C-O 3.53Å; C16-K41 WeakPolarHBondContact CA-O 3.46Å; A17-K41 PolarHBondContact N-O 2.89Å; I23-K41 HydrophobicContact CD1-CB 3.87Å; I29-K41 CarbonylContact O-C 3.58Å; I29-K41 WeakPolarHBondContact O-CA 3.22Å; T30-K41 HydrophobicContact CG2-CD 4.08Å; T30-K41 VanDerWaalsContact CG2-NZ 3.3Å; T30-K41 PolarHBondContact OG1-NZ 2.77Å
42	Y	94.5	Very high	91.5	Very high	5 Å²	5	62.7 Å²	62.7	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.5	-179.9	-64.7	-97.4	0	0	0	111.7	A17 A18 I29 A31 Q40 F47 P69	A17-Y42 HydrophobicContact CB-CD1 4.35Å; A17-Y42 HydrophobicContact CB-CE1 3.75Å; A17-Y42 HydrophobicContact CB-CE2 4.11Å; A18-Y42 HydrophobicContact CB-CD1 3.88Å; A18-Y42 HydrophobicContact CB-CE1 3.96Å; I29-Y42 PolarHBondContact N-O 3.19Å; I29-Y42 PolarHBondContact O-N 2.78Å; A31-Y42 HydrophobicContact CB-CD2 3.67Å; A31-Y42 HydrophobicContact CB-CE2 3.52Å; Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.47Å; Q40-Y42 VanDerWaalsContact CB-CE2 3.47Å; Q40-Y42 PolarHBondContact NE2-OH 3.03Å; Q40-Y42 PolarHBondContact OE1-OH 3.19Å; Y42-F47 AromaticContact CD2-CD2 3.83Å; Y42-F47 HydrophobicContact CD2-CD2 3.83Å; Y42-F47 HydrophobicContact CD2-CE2 4.41Å; Y42-F47 HydrophobicContact CE2-CD2 4.23Å; Y42-F47 HydrophobicContact CE2-CE2 4.5Å; Y42-F47 HydrophobicContact CG-CB 4.46Å; Y42-F47 HydrophobicContact CG-CD2 4.04Å; Y42-P69 HydrophobicContact CE1-CG 4.45Å
43	H	94.1	Very high	91.6	Very high	42 Å²	42	62.9 Å²	62.9	19%	0.194	35%	0.345	C	S	.	.			trans	-60.8	144.7	157.1	-64.7	111.7	0	0	0	109.2	C16 C19 I23 A45 H46 F47	C16-H43 WeakPolarHBondContact CB-ND1 2.99Å; C16-H43 PolarHBondContact SG-ND1 2.68Å; C16-H43 VanDerWaalsContact SG-ND1 3.42Å; C19-H43 PolarHBondContact SG-CE1 3.47Å; C19-H43 PolarHBondContact SG-ND1 2.92Å; C19-H43 VanDerWaalsContact SG-ND1 3.45Å; I23-H43 WeakPolarHBondContact CA-NE2 3.49Å; H43-A45 PolarHBondContact O-N 2.94Å; H43-H46 HydrophobicContact CB-CB 4.11Å; H43-H46 AromaticContact CG-ND1 3.99Å; H43-H46 AromaticContact ND1-CE1 3.71Å; H43-H46 AromaticContact ND1-ND1 3.32Å; H43-H46 PolarHBondContact ND1-ND1 3.15Å; H43-H46 PolarHBondContact O-N 3.16Å; H43-F47 PolarHBondContact O-N 3.35Å
44	P	92.4	Very high	91.9	Very high	54 Å²	54	68.5 Å²	68.5	35%	0.351	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-51.7	-40.5	175	-28	35.4	0	0	0	113	A27 I29 H46	A27-P44 HydrophobicContact CB-CG 4.35Å; A27-P44 VanDerWaalsContact O-CD 3.27Å; A27-P44 WeakPolarHBondContact O-CD 3.42Å; A27-P44 WeakPolarHBondContact O-CG 3.38Å; I29-P44 HydrophobicContact CG1-CB 4.4Å; I29-P44 HydrophobicContact CG1-CG 4.45Å; P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.95Å
45	A	92.6	Very high	92.3	Very high	82 Å²	82	67.6 Å²	67.6	68%	0.678	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.4	-19.8	177.5	0	0	0	0	0	114.4	H43	H43-A45 PolarHBondContact O-N 2.94Å
46	H	94.6	Very high	92.7	Very high	73 Å²	73	64.3 Å²	64.3	34%	0.338	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-100.5	-1.6	-178.3	-65.6	171.7	0	0	0	113.3	A18 C19 H43 P44 V48	A18-H46 HydrophobicContact CB-CB 3.81Å; C19-H46 VanDerWaalsContact SG-CE1 3.51Å; C19-H46 PolarHBondContact SG-ND1 3.32Å; C19-H46 VanDerWaalsContact SG-ND1 3.44Å; H43-H46 HydrophobicContact CB-CB 4.11Å; H43-H46 AromaticContact CG-ND1 3.99Å; H43-H46 AromaticContact ND1-CE1 3.71Å; H43-H46 AromaticContact ND1-ND1 3.32Å; H43-H46 PolarHBondContact ND1-ND1 3.15Å; H43-H46 PolarHBondContact O-N 3.16Å; P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.95Å; H46-V48 VanDerWaalsContact C-N 3.28Å; H46-V48 PolarHBondContact O-N 3.33Å; H46-V48 VanDerWaalsContact O-N 3.1Å
47	F	95.1	Very high	92.8	Very high	9 Å²	9	66.8 Å²	66.8	4%	0.039	36%	0.355	C	S	.	.			trans	-86.7	74.2	175.5	-170.1	-117.5	0	0	0	110.6	I29 A31 Y42 H43 L56 N57 Y62 P69	I29-F47 HydrophobicContact CB-CB 4.26Å; I29-F47 HydrophobicContact CB-CG 4.32Å; I29-F47 HydrophobicContact CG1-CB 4.23Å; I29-F47 HydrophobicContact CG2-CB 4.21Å; I29-F47 HydrophobicContact CG2-CD1 3.68Å; I29-F47 HydrophobicContact CG2-CD2 4.15Å; I29-F47 HydrophobicContact CG2-CE1 4.01Å; I29-F47 HydrophobicContact CG2-CE2 4.48Å; I29-F47 HydrophobicContact CG2-CG 3.73Å; I29-F47 HydrophobicContact CG2-CZ 4.4Å; A31-F47 HydrophobicContact CB-CD2 4.18Å; A31-F47 HydrophobicContact CB-CE2 3.56Å; A31-F47 HydrophobicContact CB-CZ 4.22Å; Y42-F47 AromaticContact CD2-CD2 3.83Å; Y42-F47 HydrophobicContact CD2-CD2 3.83Å; Y42-F47 HydrophobicContact CD2-CE2 4.41Å; Y42-F47 HydrophobicContact CE2-CD2 4.23Å; Y42-F47 HydrophobicContact CE2-CE2 4.5Å; Y42-F47 HydrophobicContact CG-CB 4.46Å; Y42-F47 HydrophobicContact CG-CD2 4.04Å; H43-F47 PolarHBondContact O-N 3.35Å; F47-L56 HydrophobicContact CD1-CB 3.67Å; F47-L56 HydrophobicContact CE1-CB 3.38Å; F47-L56 HydrophobicContact CE2-CB 4.48Å; F47-L56 HydrophobicContact CE2-CD1 4.46Å; F47-L56 HydrophobicContact CG-CB 4.37Å; F47-L56 HydrophobicContact CZ-CB 3.83Å; F47-L56 HydrophobicContact CZ-CD1 4.38Å; F47-L56 PolarHBondContact O-N 3.34Å; F47-N57 HydrophobicContact CD1-CB 3.97Å; F47-Y62 HydrophobicContact CE2-CD1 4.41Å; F47-Y62 HydrophobicContact CE2-CD2 4.41Å; F47-Y62 HydrophobicContact CE2-CE1 4.26Å; F47-Y62 HydrophobicContact CE2-CE2 4.28Å; F47-Y62 HydrophobicContact CE2-CG 4.48Å; F47-Y62 AromaticContact CZ-CD1 3.6Å; F47-Y62 HydrophobicContact CZ-CD1 3.6Å; F47-Y62 HydrophobicContact CZ-CD2 4.24Å; F47-Y62 AromaticContact CZ-CE1 3.75Å; F47-Y62 HydrophobicContact CZ-CE1 3.75Å; F47-Y62 HydrophobicContact CZ-CE2 4.37Å; F47-Y62 AromaticContact CZ-CG 3.87Å; F47-Y62 HydrophobicContact CZ-CG 3.87Å; F47-P69 HydrophobicContact CD2-CG 4.5Å; F47-P69 HydrophobicContact CE2-CB 4.01Å; F47-P69 HydrophobicContact CE2-CG 4.41Å
48	V	95.4	Very high	92.7	Very high	29 Å²	29	66.7 Å²	66.7	18%	0.176	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-123.4	157.7	-175.6	-63	0	0	0	0	111.3	H46 S50 M53 K54 P69	H46-V48 VanDerWaalsContact C-N 3.28Å; H46-V48 PolarHBondContact O-N 3.33Å; H46-V48 VanDerWaalsContact O-N 3.1Å; V48-S50 PolarHBondContact O-N 3.49Å; V48-M53 HydrophobicContact CG2-CE 3.81Å; V48-M53 HydrophobicContact CG2-SD 4.15Å; V48-K54 CarbonylContact C-O 3.51Å; V48-K54 VanDerWaalsContact CA-O 3.3Å; V48-K54 WeakPolarHBondContact CA-O 3.2Å; V48-P69 WeakPolarHBondContact O-CG 3.32Å
49	C	95.1	Very high	92.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.353	C	S	.	.			trans	-62.5	126.2	172.9	-179	0	0	0	0	109.9	Y51 C52 M53 K54 L56 C71	C49-Y51 PolarHBondContact O-N 3.08Å; C49-C52 WeakPolarHBondContact CB-SG 3.29Å; C49-C52 PolarHBondContact SG-SG 3.3Å; C49-M53 WeakPolarHBondContact O-CA 3.43Å; C49-M53 PolarHBondContact O-N 2.79Å; C49-K54 PolarHBondContact N-O 2.83Å; C49-L56 HydrophobicContact CB-CD1 4.49Å; C49-L56 HydrophobicContact CB-CD2 4.12Å; C49-L56 HydrophobicContact CB-CG 4.37Å; C49-C71 HydrophobicContact CB-CB 4.43Å; C49-C71 PolarHBondContact SG-N 3.32Å; C49-C71 VanDerWaalsContact SG-N 3.35Å
50	S	94	Very high	91.8	Very high	48 Å²	48	68.1 Å²	68.1	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.2	-178	-55.5	0	0	0	0	114	V48 K68 P69	V48-S50 PolarHBondContact O-N 3.49Å; S50-K68 WeakPolarHBondContact OG-CB 3.13Å; S50-P69 WeakPolarHBondContact CB-O 3.46Å; S50-P69 PolarHBondContact N-O 3.27Å; S50-P69 WeakPolarHBondContact OG-CD 3.46Å; S50-P69 PolarHBondContact OG-O 3.21Å
51	Y	92.5	Very high	91.7	Very high	127 Å²	127	70.7 Å²	70.7	50%	0.498	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-59.9	175.6	-176.7	-94.9	0	0	0	112.1	C49 C74 L78 Y84	C49-Y51 PolarHBondContact O-N 3.08Å; Y51-C74 HydrophobicContact CD1-CB 4.17Å; Y51-C74 WeakPolarHBondContact CD1-SG 3.5Å; Y51-C74 HydrophobicContact CG-CB 4.36Å; Y51-L78 HydrophobicContact CD2-CD1 3.98Å; Y51-L78 HydrophobicContact CD2-CD2 4.1Å; Y51-L78 HydrophobicContact CD2-CG 4.49Å; Y51-L78 HydrophobicContact CE2-CD2 4.29Å; Y51-L78 HydrophobicContact CG-CD1 4.04Å; Y51-Y84 HydrophobicContact CD2-CE1 4.43Å; Y51-Y84 HydrophobicContact CE1-CE1 4.42Å; Y51-Y84 HydrophobicContact CE2-CD1 4.02Å; Y51-Y84 AromaticContact CE2-CE1 3.54Å; Y51-Y84 HydrophobicContact CE2-CE1 3.54Å; Y51-Y84 AromaticContact CZ-CE1 3.55Å; Y51-Y84 WeakPolarHBondContact OH-CE1 3.45Å
52	C	93.9	Very high	91.7	Very high	43 Å²	43	68 Å²	68	29%	0.291	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	1.2	-175	67.5	0	0	0	0	114.5	C49 K54 C74	C49-C52 WeakPolarHBondContact CB-SG 3.29Å; C49-C52 PolarHBondContact SG-SG 3.3Å; C52-K54 HydrophobicContact CB-CG 4.49Å; C52-K54 PolarHBondContact O-N 2.88Å; C52-C74 VanDerWaalsContact SG-SG 3.64Å
53	M	94.2	Very high	91.6	Very high	128 Å²	128	70.8 Å²	70.8	63%	0.631	39%	0.388	S	S	*	.			trans	57.9	10.5	179.6	-58.9	-59.9	-69.3	0	0	115.8	V48 C49	V48-M53 HydrophobicContact CG2-CE 3.81Å; V48-M53 HydrophobicContact CG2-SD 4.15Å; C49-M53 WeakPolarHBondContact O-CA 3.43Å; C49-M53 PolarHBondContact O-N 2.79Å
54	K	93.6	Very high	91.6	Very high	128 Å²	128	69.6 Å²	69.6	56%	0.557	38%	0.382	S	S	*	.			trans	-70.6	141.3	176	-67.9	-179.2	-178.2	177.6	0	111.4	V48 C49 C52 L56	V48-K54 CarbonylContact C-O 3.51Å; V48-K54 VanDerWaalsContact CA-O 3.3Å; V48-K54 WeakPolarHBondContact CA-O 3.2Å; C49-K54 PolarHBondContact N-O 2.83Å; C52-K54 HydrophobicContact CB-CG 4.49Å; C52-K54 PolarHBondContact O-N 2.88Å; K54-L56 PolarHBondContact O-N 3.04Å
55	P	94	Very high	91.5	Very high	80 Å²	80	69.5 Å²	69.5	52%	0.519	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-60.2	131.7	176.1	23.8	-32.6	0	0	0	111.7	N57	P55-N57 WeakPolarHBondContact CB-OD1 3.17Å
56	L	93.8	Very high	91.4	Very high	9 Å²	9	72.7 Å²	72.7	5%	0.047	38%	0.377	C	S	.	.	S	Bend	trans	-97.6	-14	-178.3	-67.2	175.3	0	0	0	113.3	F47 C49 K54 L58 Y62 P69 C71	F47-L56 HydrophobicContact CD1-CB 3.67Å; F47-L56 HydrophobicContact CE1-CB 3.38Å; F47-L56 HydrophobicContact CE2-CB 4.48Å; F47-L56 HydrophobicContact CE2-CD1 4.46Å; F47-L56 HydrophobicContact CG-CB 4.37Å; F47-L56 HydrophobicContact CZ-CB 3.83Å; F47-L56 HydrophobicContact CZ-CD1 4.38Å; F47-L56 PolarHBondContact O-N 3.34Å; C49-L56 HydrophobicContact CB-CD1 4.49Å; C49-L56 HydrophobicContact CB-CD2 4.12Å; C49-L56 HydrophobicContact CB-CG 4.37Å; K54-L56 PolarHBondContact O-N 3.04Å; L56-L58 PolarHBondContact O-N 2.84Å; L56-Y62 HydrophobicContact CD1-CD2 4.49Å; L56-P69 HydrophobicContact CD1-CB 3.61Å; L56-P69 HydrophobicContact CD1-CG 4.19Å; L56-C71 HydrophobicContact CD2-CB 3.68Å
57	N	87.7	Confident	91.1	Very high	79 Å²	79	77.4 Å²	77.4	42%	0.422	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.5	179	58	-42.2	0	0	0	113.4	I29 F47 P55	I29-N57 HydrophobicContact CD1-CB 4.28Å; F47-N57 HydrophobicContact CD1-CB 3.97Å; P55-N57 WeakPolarHBondContact CB-OD1 3.17Å
58	L	84.1	Confident	91	Very high	151 Å²	151	82 Å²	82	79%	0.791	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-36.7	-175.9	-172	62.8	0	0	0	113.8	L56	L56-L58 PolarHBondContact O-N 2.84Å
59	K	78.4	Confident	90.9	Very high	180 Å²	180	80.9 Å²	80.9	78%	0.783	41%	0.406	S	S	*	.	S	Bend	trans	-95.9	-4.4	-174.6	-68.5	-169.7	176.3	-170.9	0	114.1	T61	K59-T61 PolarHBondContact O-N 3.19Å
60	G	82.7	Confident	90.9	Very high	69 Å²	69	81.7 Å²	81.7	71%	0.711	41%	0.409	S	S	*	.	S	Bend	trans	66.2	-6.6	-178.2	0	0	0	0	0	116
61	T	89.1	Confident	90.9	Very high	79 Å²	79	80.5 Å²	80.5	49%	0.485	40%	0.401	S	S	.	.			trans	-134.4	145.8	-179.8	66.9	0	0	0	0	111.5	K59 H72	K59-T61 PolarHBondContact O-N 3.19Å; T61-H72 PolarHBondContact OG1-NE2 2.86Å
62	Y	93.9	Very high	90.8	Very high	12 Å²	12	77.3 Å²	77.3	5%	0.047	39%	0.39	C	S	.	.			trans	-156.7	172.6	-180	75.3	-74.6	0	0	0	109.6	A31 L32 A33 F47 L56 E64 P69 Y70	A31-Y62 VanDerWaalsContact CA-OH 3.3Å; A31-Y62 WeakPolarHBondContact CA-OH 3.32Å; A31-Y62 HydrophobicContact CB-CE1 4.23Å; A31-Y62 WeakPolarHBondContact CB-OH 3.1Å; A31-Y62 PolarHBondContact O-OH 3.05Å; L32-Y62 PolarHBondContact N-OH 2.94Å; L32-Y62 VanDerWaalsContact N-OH 3.15Å; A33-Y62 HydrophobicContact CB-CD2 4.41Å; A33-Y62 HydrophobicContact CB-CE1 4.2Å; A33-Y62 HydrophobicContact CB-CE2 3.66Å; A33-Y62 WeakPolarHBondContact CB-OH 3.45Å; A33-Y62 PolarHBondContact N-OH 3.49Å; F47-Y62 HydrophobicContact CE2-CD1 4.41Å; F47-Y62 HydrophobicContact CE2-CD2 4.41Å; F47-Y62 HydrophobicContact CE2-CE1 4.26Å; F47-Y62 HydrophobicContact CE2-CE2 4.28Å; F47-Y62 HydrophobicContact CE2-CG 4.48Å; F47-Y62 AromaticContact CZ-CD1 3.6Å; F47-Y62 HydrophobicContact CZ-CD1 3.6Å; F47-Y62 HydrophobicContact CZ-CD2 4.24Å; F47-Y62 AromaticContact CZ-CE1 3.75Å; F47-Y62 HydrophobicContact CZ-CE1 3.75Å; F47-Y62 HydrophobicContact CZ-CE2 4.37Å; F47-Y62 AromaticContact CZ-CG 3.87Å; F47-Y62 HydrophobicContact CZ-CG 3.87Å; L56-Y62 HydrophobicContact CD1-CD2 4.49Å; Y62-E64 HydrophobicContact CE2-CB 4.32Å; Y62-P69 HydrophobicContact CD2-CB 3.62Å; Y62-P69 HydrophobicContact CE2-CB 3.73Å; Y62-Y70 WeakPolarHBondContact CB-O 3.47Å
63	R	92.9	Very high	90.7	Very high	65 Å²	65	80.1 Å²	80.1	25%	0.245	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.1	171.9	-63.4	-66.5	-177.8	174.8	-0.5	109.7	Y70 H72 F75 Y76	R63-Y70 PolarHBondContact N-O 3.42Å; R63-Y70 PolarHBondContact O-N 3.31Å; R63-H72 PolarHBondContact NE-ND1 2.78Å; R63-F75 HydrophobicContact CB-CB 3.74Å; R63-F75 HydrophobicContact CB-CD1 3.93Å; R63-F75 HydrophobicContact CB-CD2 3.37Å; R63-F75 HydrophobicContact CB-CE1 4.4Å; R63-F75 HydrophobicContact CB-CE2 3.89Å; R63-F75 HydrophobicContact CB-CG 3.38Å; R63-F75 HydrophobicContact CB-CZ 4.38Å; R63-F75 HydrophobicContact CG-CB 4.04Å; R63-F75 HydrophobicContact CG-CD1 3.82Å; R63-F75 HydrophobicContact CG-CD2 4.21Å; R63-F75 HydrophobicContact CG-CE1 4.33Å; R63-F75 HydrophobicContact CG-CG 3.76Å; R63-Y76 PolarHBondContact NH2-OH 3.25Å
64	E	92.8	Very high	90.7	Very high	16 Å²	16	74.3 Å²	74.3	8%	0.075	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142	172.8	-170.6	-172.2	114	0	0	110.1	A33 N35 S36 Q40 Y62 R67 K68 F75	A33-E64 HydrophobicContact CB-CB 3.56Å; N35-E64 PolarHBondContact ND2-O 2.92Å; N35-E64 PolarHBondContact OD1-N 3.45Å; S36-E64 WeakPolarHBondContact CB-OE2 3.25Å; S36-E64 VanDerWaalsContact OG-CD 3.24Å; S36-E64 PolarHBondContact OG-OE1 3.37Å; S36-E64 PolarHBondContact OG-OE2 2.96Å; Q40-E64 PolarHBondContact OE1-OE2 3.44Å; Y62-E64 HydrophobicContact CE2-CB 4.32Å; E64-R67 WeakPolarHBondContact OE1-CA 3.23Å; E64-K68 CarbonylContact C-O 3.56Å; E64-K68 WeakPolarHBondContact CA-O 3.08Å; E64-F75 WeakPolarHBondContact O-CE2 3.35Å
65	H	91.5	Very high	90.6	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130	163.7	-171.9	85.7	0	0	0	108.2	R67 K68 Y70 F75 Y79	H65-R67 VanDerWaalsContact C-N 3.27Å; H65-R67 PolarHBondContact O-N 2.73Å; H65-K68 PolarHBondContact N-O 2.8Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; H65-K68 PolarHBondContact O-N 3.21Å; H65-Y70 HydrophobicContact CB-CD2 3.98Å; H65-Y70 HydrophobicContact CB-CE2 3.67Å; H65-F75 HydrophobicContact CB-CD2 4.27Å; H65-F75 HydrophobicContact CB-CE2 3.96Å; H65-Y79 HydrophobicContact CB-CD2 4.06Å; H65-Y79 HydrophobicContact CB-CE1 4.45Å; H65-Y79 HydrophobicContact CB-CE2 3.46Å; H65-Y79 VanDerWaalsContact CB-CE2 3.46Å; H65-Y79 AromaticContact CD2-CE1 3.26Å; H65-Y79 WeakPolarHBondContact CD2-CE1 3.27Å; H65-Y79 AromaticContact CD2-CE2 3.85Å; H65-Y79 AromaticContact CD2-CZ 3.13Å; H65-Y79 PolarHBondContact CD2-OH 2.82Å; H65-Y79 AromaticContact CE1-CD1 3.6Å; H65-Y79 AromaticContact CE1-CE1 3.54Å; H65-Y79 AromaticContact CG-CD2 3.98Å; H65-Y79 AromaticContact CG-CE1 3.6Å; H65-Y79 AromaticContact CG-CE2 3.5Å; H65-Y79 AromaticContact CG-CZ 3.3Å; H65-Y79 AromaticContact ND1-CD1 3.78Å; H65-Y79 AromaticContact ND1-CE1 3.76Å; H65-Y79 AromaticContact ND1-CG 3.94Å; H65-Y79 AromaticContact ND1-CZ 3.9Å; H65-Y79 AromaticContact NE2-CD1 3.81Å; H65-Y79 AromaticContact NE2-CE1 3.25Å; H65-Y79 WeakPolarHBondContact NE2-CE1 3.34Å; H65-Y79 AromaticContact NE2-CZ 3.69Å
66	Q	89.6	Confident	90.5	Very high	149 Å²	149	71 Å²	71	70%	0.696	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	45.3	-177.9	-63.7	174.7	22.7	0	0	113.6	K68	Q66-K68 PolarHBondContact O-N 2.95Å; Q66-K68 VanDerWaalsContact O-N 3.16Å
67	R	89.5	Confident	90.3	Very high	172 Å²	172	77.4 Å²	77.4	65%	0.649	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	19.8	-178.7	-56.5	-176.4	175.5	-171.8	0.1	115	Q40 E64 H65	Q40-R67 PolarHBondContact NE2-O 2.91Å; Q40-R67 PolarHBondContact OE1-O 3.1Å; E64-R67 WeakPolarHBondContact OE1-CA 3.23Å; H65-R67 VanDerWaalsContact C-N 3.27Å; H65-R67 PolarHBondContact O-N 2.73Å
68	K	92	Very high	90.4	Very high	106 Å²	106	75.3 Å²	75.3	46%	0.461	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.2	174.7	-70.9	178.1	-178.5	178.3	0	109.3	S50 E64 H65 Q66 Y70	S50-K68 WeakPolarHBondContact OG-CB 3.13Å; E64-K68 CarbonylContact C-O 3.56Å; E64-K68 WeakPolarHBondContact CA-O 3.08Å; H65-K68 PolarHBondContact N-O 2.8Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; H65-K68 PolarHBondContact O-N 3.21Å; Q66-K68 PolarHBondContact O-N 2.95Å; Q66-K68 VanDerWaalsContact O-N 3.16Å; K68-Y70 HydrophobicContact CB-CD2 4.45Å; K68-Y70 HydrophobicContact CB-CE2 3.56Å; K68-Y70 WeakPolarHBondContact O-CD2 3.49Å; K68-Y70 VanDerWaalsContact O-CE2 3.23Å; K68-Y70 WeakPolarHBondContact O-CE2 3.45Å
69	P	94	Very high	90.6	Very high	6 Å²	6	72 Å²	72	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.4	178.8	34.6	-36.6	0	0	0	110.9	Y42 F47 V48 S50 L56 Y62	Y42-P69 HydrophobicContact CE1-CG 4.45Å; F47-P69 HydrophobicContact CD2-CG 4.5Å; F47-P69 HydrophobicContact CE2-CB 4.01Å; F47-P69 HydrophobicContact CE2-CG 4.41Å; V48-P69 WeakPolarHBondContact O-CG 3.32Å; S50-P69 WeakPolarHBondContact CB-O 3.46Å; S50-P69 PolarHBondContact N-O 3.27Å; S50-P69 WeakPolarHBondContact OG-CD 3.46Å; S50-P69 PolarHBondContact OG-O 3.21Å; L56-P69 HydrophobicContact CD1-CB 3.61Å; L56-P69 HydrophobicContact CD1-CG 4.19Å; Y62-P69 HydrophobicContact CD2-CB 3.62Å; Y62-P69 HydrophobicContact CE2-CB 3.73Å
70	Y	93.9	Very high	90.7	Very high	16 Å²	16	66.8 Å²	66.8	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.6	179.8	-64.6	-93.8	0	0	0	109.8	Y62 R63 H65 K68 C74 L78 Y79	Y62-Y70 WeakPolarHBondContact CB-O 3.47Å; R63-Y70 PolarHBondContact N-O 3.42Å; R63-Y70 PolarHBondContact O-N 3.31Å; H65-Y70 HydrophobicContact CB-CD2 3.98Å; H65-Y70 HydrophobicContact CB-CE2 3.67Å; K68-Y70 HydrophobicContact CB-CD2 4.45Å; K68-Y70 HydrophobicContact CB-CE2 3.56Å; K68-Y70 WeakPolarHBondContact O-CD2 3.49Å; K68-Y70 VanDerWaalsContact O-CE2 3.23Å; K68-Y70 WeakPolarHBondContact O-CE2 3.45Å; Y70-C74 HydrophobicContact CD1-CB 4.49Å; Y70-L78 HydrophobicContact CD1-CD1 3.67Å; Y70-L78 HydrophobicContact CE1-CD1 3.56Å; Y70-Y79 HydrophobicContact CD2-CE2 4.38Å; Y70-Y79 HydrophobicContact CE1-CE2 4.38Å; Y70-Y79 HydrophobicContact CE2-CE2 4.21Å; Y70-Y79 PolarHBondContact OH-OH 3.22Å
71	C	93.9	Very high	89.9	Confident	24 Å²	24	66.7 Å²	66.7	16%	0.162	32%	0.321	C	S	.	.			trans	-69.3	155.5	165	71.3	0	0	0	0	109.2	C49 L56 E73 C74 F75	C49-C71 HydrophobicContact CB-CB 4.43Å; C49-C71 PolarHBondContact SG-N 3.32Å; C49-C71 VanDerWaalsContact SG-N 3.35Å; L56-C71 HydrophobicContact CD2-CB 3.68Å; C71-E73 VanDerWaalsContact C-N 3.28Å; C71-E73 PolarHBondContact O-N 3.1Å; C71-C74 PolarHBondContact O-N 2.89Å; C71-C74 PolarHBondContact SG-N 3.42Å; C71-C74 VanDerWaalsContact SG-N 3.37Å; C71-C74 PolarHBondContact SG-SG 2.9Å; C71-F75 WeakPolarHBondContact O-CB 3.43Å; C71-F75 PolarHBondContact O-N 3.41Å
72	H	91.8	Very high	88.6	Confident	59 Å²	59	70 Å²	70	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-52.6	-46.8	-180	-71	-90	0	0	0	111.9	T61 R63 C74 F75 Y76	T61-H72 PolarHBondContact OG1-NE2 2.86Å; R63-H72 PolarHBondContact NE-ND1 2.78Å; H72-C74 PolarHBondContact O-N 3.19Å; H72-F75 PolarHBondContact O-N 2.9Å; H72-Y76 HydrophobicContact CB-CD2 4.12Å; H72-Y76 HydrophobicContact CB-CE2 3.93Å; H72-Y76 AromaticContact ND1-CE2 3.92Å; H72-Y76 WeakPolarHBondContact O-CD2 3.37Å; H72-Y76 PolarHBondContact O-N 3.48Å
73	E	91.9	Very high	86.8	Confident	102 Å²	102	76.2 Å²	76.2	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-55.8	-52.1	178.3	177.9	174.6	66	0	0	112.6	C71 F75 R77	C71-E73 VanDerWaalsContact C-N 3.28Å; C71-E73 PolarHBondContact O-N 3.1Å; E73-F75 PolarHBondContact O-N 2.8Å; E73-R77 VanDerWaalsContact CD-NH2 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.34Å; E73-R77 VanDerWaalsContact O-CG 3.22Å; E73-R77 WeakPolarHBondContact O-CG 3.33Å; E73-R77 PolarHBondContact O-N 3.45Å; E73-R77 IonicContact OE2-CZ 3.59Å; E73-R77 IonicContact OE2-NE 3.9Å; E73-R77 IonicContact OE2-NH2 2.78Å; E73-R77 PolarHBondContact OE2-NH2 2.92Å
74	C	93.5	Very high	84.9	Confident	6 Å²	6	77 Å²	77	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-40.3	179	-65.7	0	0	0	0	111.6	Y51 C52 Y70 C71 H72 R77 L78	Y51-C74 HydrophobicContact CD1-CB 4.17Å; Y51-C74 WeakPolarHBondContact CD1-SG 3.5Å; Y51-C74 HydrophobicContact CG-CB 4.36Å; C52-C74 VanDerWaalsContact SG-SG 3.64Å; Y70-C74 HydrophobicContact CD1-CB 4.49Å; C71-C74 PolarHBondContact O-N 2.89Å; C71-C74 PolarHBondContact SG-N 3.42Å; C71-C74 VanDerWaalsContact SG-N 3.37Å; C71-C74 PolarHBondContact SG-SG 2.9Å; H72-C74 PolarHBondContact O-N 3.19Å; C74-R77 PolarHBondContact O-N 3.05Å; C74-L78 HydrophobicContact CB-CD1 4.27Å; C74-L78 WeakPolarHBondContact O-CB 3.13Å; C74-L78 VanDerWaalsContact O-CD1 3.29Å; C74-L78 WeakPolarHBondContact O-CD1 3.44Å; C74-L78 WeakPolarHBondContact O-CG 3.3Å; C74-L78 PolarHBondContact O-N 3.03Å
75	F	92.1	Very high	83	Confident	29 Å²	29	84.1 Å²	84.1	13%	0.127	40%	0.4	C	S	.	.	H	α-helix	trans	-61.6	-48.4	178.8	-178.5	-88.3	0	0	0	111.9	R63 E64 H65 C71 H72 E73 L78 Y79	R63-F75 HydrophobicContact CB-CB 3.74Å; R63-F75 HydrophobicContact CB-CD1 3.93Å; R63-F75 HydrophobicContact CB-CD2 3.37Å; R63-F75 HydrophobicContact CB-CE1 4.4Å; R63-F75 HydrophobicContact CB-CE2 3.89Å; R63-F75 HydrophobicContact CB-CG 3.38Å; R63-F75 HydrophobicContact CB-CZ 4.38Å; R63-F75 HydrophobicContact CG-CB 4.04Å; R63-F75 HydrophobicContact CG-CD1 3.82Å; R63-F75 HydrophobicContact CG-CD2 4.21Å; R63-F75 HydrophobicContact CG-CE1 4.33Å; R63-F75 HydrophobicContact CG-CG 3.76Å; E64-F75 WeakPolarHBondContact O-CE2 3.35Å; H65-F75 HydrophobicContact CB-CD2 4.27Å; H65-F75 HydrophobicContact CB-CE2 3.96Å; C71-F75 WeakPolarHBondContact O-CB 3.43Å; C71-F75 PolarHBondContact O-N 3.41Å; H72-F75 PolarHBondContact O-N 2.9Å; E73-F75 PolarHBondContact O-N 2.8Å; F75-L78 PolarHBondContact O-N 3.32Å; F75-Y79 AromaticContact CD2-CD2 3.56Å; F75-Y79 HydrophobicContact CD2-CD2 3.56Å; F75-Y79 HydrophobicContact CD2-CE2 4.07Å; F75-Y79 AromaticContact CE2-CD2 3.8Å; F75-Y79 HydrophobicContact CE2-CD2 3.8Å; F75-Y79 HydrophobicContact CE2-CE2 4.44Å; F75-Y79 HydrophobicContact CE2-CG 4.49Å; F75-Y79 HydrophobicContact CG-CD2 4.03Å; F75-Y79 HydrophobicContact CZ-CD2 4.43Å; F75-Y79 WeakPolarHBondContact O-CB 3.15Å; F75-Y79 WeakPolarHBondContact O-CD2 3.49Å; F75-Y79 PolarHBondContact O-N 3.44Å
76	Y	90.9	Very high	81.3	Confident	110 Å²	110	87.7 Å²	87.7	43%	0.431	43%	0.425	S	S	.	.	H	α-helix	trans	-65.8	-41.2	179.3	-72.2	-61.9	0	0	0	111.5	R63 H72 S80	R63-Y76 PolarHBondContact NH2-OH 3.25Å; H72-Y76 HydrophobicContact CB-CD2 4.12Å; H72-Y76 HydrophobicContact CB-CE2 3.93Å; H72-Y76 AromaticContact ND1-CE2 3.92Å; H72-Y76 WeakPolarHBondContact O-CD2 3.37Å; H72-Y76 PolarHBondContact O-N 3.48Å; Y76-S80 WeakPolarHBondContact CD1-OG 3.3Å; Y76-S80 WeakPolarHBondContact O-CA 3.21Å; Y76-S80 WeakPolarHBondContact O-CB 3.27Å; Y76-S80 PolarHBondContact O-N 2.7Å; Y76-S80 PolarHBondContact O-OG 2.88Å
77	R	90.3	Very high	79.5	Confident	143 Å²	143	86.5 Å²	86.5	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-51.3	173.5	-66.9	176.1	-173.2	-160.1	5.8	110.5	E73 C74 Y84	E73-R77 VanDerWaalsContact CD-NH2 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.34Å; E73-R77 VanDerWaalsContact O-CG 3.22Å; E73-R77 WeakPolarHBondContact O-CG 3.33Å; E73-R77 PolarHBondContact O-N 3.45Å; E73-R77 IonicContact OE2-CZ 3.59Å; E73-R77 IonicContact OE2-NE 3.9Å; E73-R77 IonicContact OE2-NH2 2.78Å; E73-R77 PolarHBondContact OE2-NH2 2.92Å; C74-R77 PolarHBondContact O-N 3.05Å; R77-Y84 HydrophobicContact CB-CE2 3.98Å; R77-Y84 WeakPolarHBondContact CB-OH 3.37Å; R77-Y84 VanDerWaalsContact O-CE2 3.32Å; R77-Y84 WeakPolarHBondContact O-CE2 3.25Å
78	L	89.7	Confident	77.9	Confident	35 Å²	35	83.4 Å²	83.4	18%	0.183	43%	0.433	C	S	.	.	H	α-helix	trans	-66.7	-36.9	-174.7	-73	160.7	0	0	0	114.3	Y51 Y70 C74 F75 Y84	Y51-L78 HydrophobicContact CD2-CD1 3.98Å; Y51-L78 HydrophobicContact CD2-CD2 4.1Å; Y51-L78 HydrophobicContact CD2-CG 4.49Å; Y51-L78 HydrophobicContact CE2-CD2 4.29Å; Y51-L78 HydrophobicContact CG-CD1 4.04Å; Y70-L78 HydrophobicContact CD1-CD1 3.67Å; Y70-L78 HydrophobicContact CE1-CD1 3.56Å; C74-L78 HydrophobicContact CB-CD1 4.27Å; C74-L78 WeakPolarHBondContact O-CB 3.13Å; C74-L78 VanDerWaalsContact O-CD1 3.29Å; C74-L78 WeakPolarHBondContact O-CD1 3.44Å; C74-L78 WeakPolarHBondContact O-CG 3.3Å; C74-L78 PolarHBondContact O-N 3.03Å; F75-L78 PolarHBondContact O-N 3.32Å; L78-Y84 HydrophobicContact CB-CD2 4.22Å; L78-Y84 HydrophobicContact CB-CE2 4.03Å; L78-Y84 HydrophobicContact CD2-CD1 3.44Å; L78-Y84 VanDerWaalsContact CD2-CD1 3.44Å; L78-Y84 HydrophobicContact CD2-CD2 3.4Å; L78-Y84 HydrophobicContact CD2-CE1 3.52Å; L78-Y84 HydrophobicContact CD2-CE2 3.53Å; L78-Y84 HydrophobicContact CD2-CG 3.33Å; L78-Y84 HydrophobicContact CG-CD1 4.48Å; L78-Y84 HydrophobicContact CG-CD2 3.99Å; L78-Y84 HydrophobicContact CG-CE1 4.14Å; L78-Y84 HydrophobicContact CG-CE2 3.66Å; L78-Y84 HydrophobicContact CG-CG 4.37Å; L78-Y84 VanDerWaalsContact N-CE2 3.35Å
79	Y	87.9	Confident	76.2	Confident	83 Å²	83	87 Å²	87	33%	0.325	45%	0.449	S	S	.	.	H	α-helix	trans	-125.5	1.4	-164.6	-55.2	-64.2	0	0	0	114.6	H65 Y70 F75	H65-Y79 HydrophobicContact CB-CD2 4.06Å; H65-Y79 HydrophobicContact CB-CE1 4.45Å; H65-Y79 HydrophobicContact CB-CE2 3.46Å; H65-Y79 VanDerWaalsContact CB-CE2 3.46Å; H65-Y79 AromaticContact CD2-CE1 3.26Å; H65-Y79 WeakPolarHBondContact CD2-CE1 3.27Å; H65-Y79 AromaticContact CD2-CE2 3.85Å; H65-Y79 AromaticContact CD2-CZ 3.13Å; H65-Y79 PolarHBondContact CD2-OH 2.82Å; H65-Y79 AromaticContact CE1-CD1 3.6Å; H65-Y79 AromaticContact CE1-CE1 3.54Å; H65-Y79 AromaticContact CG-CD2 3.98Å; H65-Y79 AromaticContact CG-CE1 3.6Å; H65-Y79 AromaticContact CG-CE2 3.5Å; H65-Y79 AromaticContact CG-CZ 3.3Å; H65-Y79 AromaticContact ND1-CD1 3.78Å; H65-Y79 AromaticContact ND1-CE1 3.76Å; H65-Y79 AromaticContact ND1-CG 3.94Å; H65-Y79 AromaticContact ND1-CZ 3.9Å; H65-Y79 AromaticContact NE2-CD1 3.81Å; H65-Y79 AromaticContact NE2-CE1 3.25Å; H65-Y79 WeakPolarHBondContact NE2-CE1 3.34Å; H65-Y79 AromaticContact NE2-CZ 3.69Å; Y70-Y79 HydrophobicContact CD2-CE2 4.38Å; Y70-Y79 HydrophobicContact CE1-CE2 4.38Å; Y70-Y79 HydrophobicContact CE2-CE2 4.21Å; Y70-Y79 PolarHBondContact OH-OH 3.22Å; F75-Y79 AromaticContact CD2-CD2 3.56Å; F75-Y79 HydrophobicContact CD2-CD2 3.56Å; F75-Y79 HydrophobicContact CD2-CE2 4.07Å; F75-Y79 AromaticContact CE2-CD2 3.8Å; F75-Y79 HydrophobicContact CE2-CD2 3.8Å; F75-Y79 HydrophobicContact CE2-CE2 4.44Å; F75-Y79 HydrophobicContact CE2-CG 4.49Å; F75-Y79 HydrophobicContact CG-CD2 4.03Å; F75-Y79 HydrophobicContact CZ-CD2 4.43Å; F75-Y79 WeakPolarHBondContact O-CB 3.15Å; F75-Y79 WeakPolarHBondContact O-CD2 3.49Å; F75-Y79 PolarHBondContact O-N 3.44Å
80	S	80.7	Confident	73.7	Confident	69 Å²	69	98 Å²	98	48%	0.483	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	30.2	176.5	-54.7	0	0	0	0	114.4	Y76	Y76-S80 WeakPolarHBondContact CD1-OG 3.3Å; Y76-S80 WeakPolarHBondContact O-CA 3.21Å; Y76-S80 WeakPolarHBondContact O-CB 3.27Å; Y76-S80 PolarHBondContact O-N 2.7Å; Y76-S80 PolarHBondContact O-OG 2.88Å
81	G	66.7	Low	72.7	Confident	67 Å²	67	102.1 Å²	102.1	69%	0.691	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	11.8	159.8	0	0	0	0	0	117.1
82	H	61.9	Low	71.6	Confident	148 Å²	148	106.2 Å²	106.2	69%	0.685	55%	0.546	S	S	*	.	S	Bend	trans	-134.3	100.9	173.7	-69	-81.6	0	0	0	111.9
83	I	55	Low	70.5	Confident	144 Å²	144	108.8 Å²	108.8	74%	0.738	56%	0.562	S	S	*	*			trans	46.9	102.4	149.8	55.2	163.7	0	0	0	118.9
84	Y	53.8	Low	69.2	Low	81 Å²	81	109.2 Å²	109.2	32%	0.318	57%	0.566	S	S	.	*			trans	-125.4	76.1	144.7	-72.7	-101.1	0	0	0	107.5	Y51 R77 L78 T86	Y51-Y84 HydrophobicContact CD2-CE1 4.43Å; Y51-Y84 HydrophobicContact CE1-CE1 4.42Å; Y51-Y84 HydrophobicContact CE2-CD1 4.02Å; Y51-Y84 AromaticContact CE2-CE1 3.54Å; Y51-Y84 HydrophobicContact CE2-CE1 3.54Å; Y51-Y84 AromaticContact CZ-CE1 3.55Å; Y51-Y84 WeakPolarHBondContact OH-CE1 3.45Å; R77-Y84 HydrophobicContact CB-CE2 3.98Å; R77-Y84 WeakPolarHBondContact CB-OH 3.37Å; R77-Y84 VanDerWaalsContact O-CE2 3.32Å; R77-Y84 WeakPolarHBondContact O-CE2 3.25Å; L78-Y84 HydrophobicContact CB-CD2 4.22Å; L78-Y84 HydrophobicContact CB-CE2 4.03Å; L78-Y84 HydrophobicContact CD2-CD1 3.44Å; L78-Y84 VanDerWaalsContact CD2-CD1 3.44Å; L78-Y84 HydrophobicContact CD2-CD2 3.4Å; L78-Y84 HydrophobicContact CD2-CE1 3.52Å; L78-Y84 HydrophobicContact CD2-CE2 3.53Å; L78-Y84 HydrophobicContact CD2-CG 3.33Å; L78-Y84 HydrophobicContact CG-CD1 4.48Å; L78-Y84 HydrophobicContact CG-CD2 3.99Å; L78-Y84 HydrophobicContact CG-CE1 4.14Å; L78-Y84 HydrophobicContact CG-CE2 3.66Å; L78-Y84 HydrophobicContact CG-CG 4.37Å; L78-Y84 VanDerWaalsContact N-CE2 3.35Å; Y84-T86 VanDerWaalsContact C-N 3.26Å; Y84-T86 PolarHBondContact O-N 3.27Å
85	E	52.3	Low	67.7	Low	165 Å²	165	115.7 Å²	115.7	77%	0.771	60%	0.599	S	S	*	*			trans	-58.4	104.5	147.7	-84.3	171.3	75	0	0	105.7	T87	E85-T87 PolarHBondContact O-N 3.14Å
86	T	57.2	Low	66.1	Low	127 Å²	127	121.5 Å²	121.5	78%	0.779	63%	0.631	S	S	*	*			trans	-57.5	89.6	160.3	28.6	0	0	0	0	107.1	Y84 S88	Y84-T86 VanDerWaalsContact C-N 3.26Å; Y84-T86 PolarHBondContact O-N 3.27Å; T86-S88 PolarHBondContact O-N 3.04Å
87	T	51.7	Low	64.3	Low	125 Å²	125	122.3 Å²	122.3	77%	0.767	65%	0.645	S	S	*	*			trans	-64.5	70.9	152.2	-38.1	0	0	0	0	106.6	E85 K89	E85-T87 PolarHBondContact O-N 3.14Å; T87-K89 PolarHBondContact O-N 3.1Å
88	S	55.3	Low	62.3	Low	107 Å²	107	120.7 Å²	120.7	75%	0.748	65%	0.653	S	S	*	*			trans	-60.6	97.8	147.7	-80.7	0	0	0	0	104.7	T86 I90	T86-S88 PolarHBondContact O-N 3.04Å; S88-I90 PolarHBondContact O-N 3.15Å
89	K	55.3	Low	60	Low	180 Å²	180	127.8 Å²	127.8	78%	0.783	69%	0.692	S	S	*	*			trans	-10.3	120.3	161.7	-63.5	178.3	175.4	-169.6	0	113.6	T87	T87-K89 PolarHBondContact O-N 3.1Å
90	I	42.4	Very low	57.5	Low	238 Å²	238	131.9 Å²	131.9	100%	1.221	73%	0.726	S	S	*	*			trans	50.3	0	140.2	-33.3	165.5	0	0	0	116.3	S88	S88-I90 PolarHBondContact O-N 3.15Å

Retrieved 90 of 90 residues in 116.7 ms (Link to these results)

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