A0A077Z1B0_TRITR Loading...

14 kDa phosphohistidine phosphatase

JanA and janB regulate somatic sex differentiation.

AlphaFold DB , UniProt , Accession A0A077Z1B0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077Z1B0_TRITR|A0A077Z1B0
MNKCSLLFSETAMDSVPNVVIDEGTFKYVIVEITDGKSKKSIVRGFRACEYHDDILEEIKPDLLEKKLSFKCTGGGRIYHDSLQKKIEVYGYSQAYGKADHELAVKKLSECFPGYSVSVRQGDHY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44	Very low	61.9	Low	232 Å²	232	143.9 Å²	143.9	100%	1.143	76%	0.763	S	S	*	*				0	100.3	0	-71.1	178.9	-169.9	0	0	107.2	K3	M1-K3 PolarHBondContact O-N 2.85Å
2	N	43	Very low	64.3	Low	163 Å²	163	135.5 Å²	135.5	87%	0.872	73%	0.729	S	S	*	*			trans	-91.1	94.4	-173.7	-39.2	-3.3	0	0	0	104.5	C4	N2-C4 PolarHBondContact O-N 3.25Å
3	K	49.4	Very low	66.6	Low	204 Å²	204	125.8 Å²	125.8	89%	0.887	68%	0.676	S	S	*	*			trans	-67.6	91.2	165.6	-100.6	170.8	175.1	-105.9	0	105.5	M1 S5	M1-K3 PolarHBondContact O-N 2.85Å; K3-S5 PolarHBondContact O-N 2.82Å
4	C	56.8	Low	68.5	Low	118 Å²	118	123.8 Å²	123.8	80%	0.797	67%	0.665	S	S	*	*			trans	-60.9	88.3	161.7	-170.5	0	0	0	0	105.7	N2 L6	N2-C4 PolarHBondContact O-N 3.25Å; C4-L6 PolarHBondContact O-N 3.14Å; C4-L6 VanDerWaalsContact O-N 3.14Å
5	S	60.6	Low	70.3	Confident	88 Å²	88	118.5 Å²	118.5	62%	0.615	64%	0.642	S	S	*	*			trans	-62.5	112.7	167.3	46.5	0	0	0	0	105.4	K3 L7	K3-S5 PolarHBondContact O-N 2.82Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 2.76Å
6	L	59.5	Low	72	Confident	134 Å²	134	111.1 Å²	111.1	70%	0.702	60%	0.602	S	S	*	*			trans	-48.1	98.1	168.5	-69.7	157.2	0	0	0	107.4	C4 F8	C4-L6 PolarHBondContact O-N 3.14Å; C4-L6 VanDerWaalsContact O-N 3.14Å; L6-F8 HydrophobicContact CB-CD2 4.11Å; L6-F8 HydrophobicContact CB-CE2 3.72Å; L6-F8 HydrophobicContact CB-CZ 3.99Å; L6-F8 HydrophobicContact CD1-CE2 4.29Å; L6-F8 HydrophobicContact CD1-CZ 3.97Å; L6-F8 PolarHBondContact O-N 2.9Å
7	L	60.7	Low	73.5	Confident	162 Å²	162	108.8 Å²	108.8	85%	0.848	59%	0.594	S	S	*	*			trans	-70.5	89.2	163.7	-68.2	170	0	0	0	103.7	S5 S9	S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 2.76Å; L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 PolarHBondContact O-N 2.95Å
8	F	68.5	Low	74.9	Confident	180 Å²	180	105.9 Å²	105.9	79%	0.789	58%	0.578	S	S	*	*			trans	-62.7	101	164.9	-66.6	-78.9	0	0	0	105.5	L6 E10	L6-F8 HydrophobicContact CB-CD2 4.11Å; L6-F8 HydrophobicContact CB-CE2 3.72Å; L6-F8 HydrophobicContact CB-CZ 3.99Å; L6-F8 HydrophobicContact CD1-CE2 4.29Å; L6-F8 HydrophobicContact CD1-CZ 3.97Å; L6-F8 PolarHBondContact O-N 2.9Å; F8-E10 PolarHBondContact O-N 3.21Å
9	S	71.3	Confident	76.2	Confident	103 Å²	103	101.2 Å²	101.2	72%	0.72	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-61.1	119.8	163.4	-179.5	0	0	0	0	105.9	L7 T11	L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 PolarHBondContact O-N 2.95Å; S9-T11 PolarHBondContact O-N 2.84Å
10	E	78.6	Confident	77.3	Confident	138 Å²	138	98.9 Å²	98.9	65%	0.645	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-55.6	121.7	168.8	-171.1	177.7	-173	0	0	107.8	F8 D14 S15	F8-E10 PolarHBondContact O-N 3.21Å; E10-D14 HydrophobicContact CG-CB 3.85Å; E10-S15 WeakPolarHBondContact OE1-CA 3.39Å
11	T	88.2	Confident	78.3	Confident	61 Å²	61	95.2 Å²	95.2	37%	0.374	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-78.6	159	177.4	67.2	0	0	0	0	109.6	S9 M13 D14 S15	S9-T11 PolarHBondContact O-N 2.84Å; T11-M13 PolarHBondContact O-N 3.49Å; T11-M13 VanDerWaalsContact O-N 3.14Å; T11-M13 WeakPolarHBondContact OG1-CB 3.38Å; T11-M13 PolarHBondContact OG1-N 2.83Å; T11-D14 WeakPolarHBondContact CB-OD2 3.39Å; T11-D14 PolarHBondContact N-OD2 3.33Å; T11-D14 VanDerWaalsContact N-OD2 3.11Å; T11-D14 PolarHBondContact O-N 3.37Å; T11-D14 PolarHBondContact OG1-N 3.45Å; T11-D14 VanDerWaalsContact OG1-N 3.09Å; T11-D14 PolarHBondContact OG1-OD2 3.33Å; T11-S15 PolarHBondContact O-N 2.64Å; T11-S15 VanDerWaalsContact O-N 3.14Å
12	A	90.4	Very high	80.9	Confident	43 Å²	43	87.1 Å²	87.1	36%	0.355	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.2	170.1	0	0	0	0	0	111.6	S15 K66	A12-S15 PolarHBondContact O-OG 3.15Å; A12-K66 HydrophobicContact CB-CB 4.21Å; A12-K66 WeakPolarHBondContact CB-O 3.36Å
13	M	94.7	Very high	83.6	Confident	9 Å²	9	83.7 Å²	83.7	4%	0.044	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-45	174	-175.9	64.7	72.6	0	0	112.3	T11 S15 V16 I33 D35 K40 L68	T11-M13 PolarHBondContact O-N 3.49Å; T11-M13 VanDerWaalsContact O-N 3.14Å; T11-M13 WeakPolarHBondContact OG1-CB 3.38Å; T11-M13 PolarHBondContact OG1-N 2.83Å; M13-S15 VanDerWaalsContact C-N 3.3Å; M13-S15 PolarHBondContact O-N 3.11Å; M13-V16 PolarHBondContact O-N 3.45Å; M13-I33 HydrophobicContact CE-CG1 4.33Å; M13-I33 HydrophobicContact SD-CD1 3.56Å; M13-I33 VanDerWaalsContact SD-CD1 3.56Å; M13-I33 HydrophobicContact SD-CG1 3.75Å; M13-D35 HydrophobicContact CE-CB 4.38Å; M13-K40 HydrophobicContact CG-CD 4.03Å; M13-K40 VanDerWaalsContact O-CE 3.28Å; M13-K40 WeakPolarHBondContact O-CE 3.49Å; M13-K40 PolarHBondContact O-NZ 3.24Å; M13-K40 HydrophobicContact SD-CB 4.41Å; M13-K40 HydrophobicContact SD-CD 3.6Å; M13-K40 HydrophobicContact SD-CG 3.57Å; M13-K40 VanDerWaalsContact SD-CG 3.57Å; M13-L68 HydrophobicContact CE-CD2 3.94Å
14	D	93.8	Very high	85.9	Confident	98 Å²	98	74.6 Å²	74.6	52%	0.524	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.3	-177.9	-61.7	-42.3	0	0	0	112.1	E10 T11 V16	E10-D14 HydrophobicContact CG-CB 3.85Å; T11-D14 WeakPolarHBondContact CB-OD2 3.39Å; T11-D14 PolarHBondContact N-OD2 3.33Å; T11-D14 VanDerWaalsContact N-OD2 3.11Å; T11-D14 PolarHBondContact O-N 3.37Å; T11-D14 PolarHBondContact OG1-N 3.45Å; T11-D14 VanDerWaalsContact OG1-N 3.09Å; T11-D14 PolarHBondContact OG1-OD2 3.33Å; D14-V16 PolarHBondContact O-N 3.04Å; D14-V16 VanDerWaalsContact O-N 3.16Å
15	S	94.8	Very high	87.9	Confident	44 Å²	44	72.1 Å²	72.1	31%	0.308	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	178.9	74.6	0	0	0	0	114.8	E10 T11 A12 M13 P17 K66	E10-S15 WeakPolarHBondContact OE1-CA 3.39Å; T11-S15 PolarHBondContact O-N 2.64Å; T11-S15 VanDerWaalsContact O-N 3.14Å; A12-S15 PolarHBondContact O-OG 3.15Å; M13-S15 VanDerWaalsContact C-N 3.3Å; M13-S15 PolarHBondContact O-N 3.11Å; S15-P17 WeakPolarHBondContact O-CD 3.15Å; S15-K66 WeakPolarHBondContact OG-CE 2.96Å
16	V	97.6	Very high	89.7	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	38%	0.38	C	S	.	.	S	Bend	trans	-89.7	116.6	178.8	-179.2	0	0	0	0	110.1	M13 D14 N18 I33 K40 I42 R44 L63 K66 L68	M13-V16 PolarHBondContact O-N 3.45Å; D14-V16 PolarHBondContact O-N 3.04Å; D14-V16 VanDerWaalsContact O-N 3.16Å; V16-N18 PolarHBondContact O-N 3.09Å; V16-I33 HydrophobicContact CB-CD1 3.95Å; V16-I33 HydrophobicContact CG1-CD1 3.81Å; V16-I33 HydrophobicContact CG2-CD1 4.19Å; V16-K40 PolarHBondContact O-NZ 3.03Å; V16-I42 HydrophobicContact CG1-CD1 3.98Å; V16-I42 HydrophobicContact CG1-CG2 4.17Å; V16-R44 VanDerWaalsContact CG1-NH2 3.25Å; V16-L63 HydrophobicContact CG1-CD2 4.3Å; V16-L63 HydrophobicContact CG2-CD2 4.15Å; V16-K66 HydrophobicContact CG2-CD 3.71Å; V16-L68 HydrophobicContact CG2-CD1 3.59Å
17	P	97.9	Very high	91.5	Very high	72 Å²	72	64 Å²	64	47%	0.468	36%	0.355	S	S	.	.			trans	-61.1	139.5	179	-23.4	33.6	0	0	0	112.2	S15 V19 V20 R44	S15-P17 WeakPolarHBondContact O-CD 3.15Å; P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.18Å; P17-V20 HydrophobicContact CB-CG2 3.86Å; P17-V20 HydrophobicContact CG-CG2 4.2Å; P17-R44 VanDerWaalsContact O-CZ 3.31Å; P17-R44 PolarHBondContact O-NH1 2.84Å; P17-R44 PolarHBondContact O-NH2 2.94Å
18	N	98.4	Very high	93.4	Very high	56 Å²	56	56.3 Å²	56.3	30%	0.299	31%	0.314	S	S	.	.	S	Bend	trans	-63.5	-33.7	-179.9	-74.5	-23.4	0	0	0	112.6	V16 I42 V43	V16-N18 PolarHBondContact O-N 3.09Å; N18-I42 CarbonylContact O-C 3.47Å; N18-I42 VanDerWaalsContact O-CA 3.27Å; N18-I42 WeakPolarHBondContact O-CA 3.18Å; N18-V43 PolarHBondContact O-N 2.94Å
19	V	98.8	Very high	94.8	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.7	-179.7	-178.6	0	0	0	0	108.6	P17 I21 V43 K107 L108 C111 F112	P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.18Å; V19-I21 HydrophobicContact CG1-CG1 4.15Å; V19-I21 HydrophobicContact CG1-CG2 3.91Å; V19-V43 WeakPolarHBondContact CA-O 3.42Å; V19-V43 HydrophobicContact CG1-CB 4.26Å; V19-V43 HydrophobicContact CG1-CG1 4.5Å; V19-V43 HydrophobicContact CG2-CB 4.13Å; V19-V43 HydrophobicContact CG2-CG2 4.34Å; V19-K107 HydrophobicContact CG2-CB 3.9Å; V19-L108 HydrophobicContact CG1-CD2 3.66Å; V19-C111 HydrophobicContact CB-CB 4.04Å; V19-C111 HydrophobicContact CG2-CB 4.04Å; V19-F112 HydrophobicContact CG1-CE2 3.95Å
20	V	98.7	Very high	96.1	Very high	55 Å²	55	42.9 Å²	42.9	33%	0.333	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	115.5	164.6	-175.3	0	0	0	0	106.4	P17 V43 R44 G45 F46	P17-V20 HydrophobicContact CB-CG2 3.86Å; P17-V20 HydrophobicContact CG-CG2 4.2Å; V20-V43 PolarHBondContact N-O 3.44Å; V20-R44 WeakPolarHBondContact O-CA 3.48Å; V20-G45 PolarHBondContact O-N 3.09Å; V20-G45 VanDerWaalsContact O-N 3.17Å; V20-F46 HydrophobicContact CB-CE1 4.49Å; V20-F46 HydrophobicContact CG1-CE1 3.92Å
21	I	98.8	Very high	97.1	Very high	21 Å²	21	36.3 Å²	36.3	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.2	-178.5	60.2	159.9	0	0	0	111.4	V19 F26 V43 G45 I78 H80 I87 L108 F112	V19-I21 HydrophobicContact CG1-CG1 4.15Å; V19-I21 HydrophobicContact CG1-CG2 3.91Å; I21-F26 HydrophobicContact CB-CE2 3.89Å; I21-F26 HydrophobicContact CB-CZ 3.88Å; I21-F26 HydrophobicContact CD1-CZ 4.42Å; I21-F26 HydrophobicContact CG2-CE2 4.17Å; I21-V43 HydrophobicContact CG2-CG1 4.21Å; I21-G45 VanDerWaalsContact CA-O 3.28Å; I21-G45 WeakPolarHBondContact CA-O 3.41Å; I21-I78 HydrophobicContact CD1-CG2 4.39Å; I21-I78 HydrophobicContact CG2-CD1 4Å; I21-H80 HydrophobicContact CD1-CB 4.34Å; I21-I87 HydrophobicContact CD1-CD1 4.11Å; I21-L108 HydrophobicContact CD1-CD2 3.58Å; I21-L108 HydrophobicContact CG1-CD2 4.34Å; I21-L108 HydrophobicContact CG2-CD2 4.43Å; I21-F112 HydrophobicContact CD1-CE2 3.82Å; I21-F112 HydrophobicContact CD1-CZ 3.89Å; I21-F112 HydrophobicContact CG1-CE2 3.88Å; I21-F112 HydrophobicContact CG1-CZ 3.7Å
22	D	98.7	Very high	97.6	Very high	62 Å²	62	36 Å²	36	33%	0.332	21%	0.206	S	C	.	.			trans	-82	-179.9	173.7	-75.1	-12.4	0	0	0	112.5	F26 G45 F46 R47 H80	D22-F26 HydrophobicContact CB-CD1 4.19Å; D22-F26 HydrophobicContact CB-CE1 4.1Å; D22-F26 HydrophobicContact CB-CZ 4.46Å; D22-F26 WeakPolarHBondContact O-CE1 3.45Å; D22-F26 WeakPolarHBondContact O-CZ 3.43Å; D22-G45 PolarHBondContact N-O 3.14Å; D22-G45 VanDerWaalsContact N-O 3.07Å; D22-F46 WeakPolarHBondContact OD2-CA 3.48Å; D22-R47 HydrophobicContact CB-CB 4.15Å; D22-R47 PolarHBondContact OD2-N 3.42Å; D22-H80 PolarHBondContact O-ND1 3.44Å
23	E	98.4	Very high	98	Very high	92 Å²	92	33.9 Å²	33.9	43%	0.43	19%	0.189	S	C	.	.	S	Bend	trans	-94.8	152.7	167.2	-173.7	167.8	-153.5	0	0	111.5	H80 S82	E23-H80 WeakPolarHBondContact CG-O 3.41Å; E23-S82 VanDerWaalsContact CD-OG 3.23Å; E23-S82 VanDerWaalsContact OE1-CB 3.24Å; E23-S82 WeakPolarHBondContact OE1-CB 3.26Å; E23-S82 PolarHBondContact OE1-N 2.94Å; E23-S82 PolarHBondContact OE1-OG 3.12Å; E23-S82 PolarHBondContact OE2-OG 3.49Å
24	G	98.5	Very high	98.1	Very high	13 Å²	13	35.3 Å²	35.3	13%	0.134	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.3	-150.6	-179	0	0	0	0	0	112.2	F26 Y79 H80	G24-F26 WeakPolarHBondContact O-CE1 3.18Å; G24-Y79 CarbonylContact O-C 3.59Å; G24-Y79 WeakPolarHBondContact O-CA 3.43Å; G24-H80 PolarHBondContact N-O 3.37Å; G24-H80 PolarHBondContact O-N 3.38Å
25	T	98.4	Very high	98.2	Very high	66 Å²	66	33.9 Å²	33.9	41%	0.405	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.4	177.5	-59.8	0	0	0	0	110.3	I78 Y79 Y90	T25-I78 VanDerWaalsContact CA-O 3.32Å; T25-I78 WeakPolarHBondContact CA-O 3.36Å; T25-Y79 WeakPolarHBondContact OG1-CD2 3.37Å; T25-Y90 WeakPolarHBondContact CG2-OH 3.34Å
26	F	98.7	Very high	98.2	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.048	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.9	-175.4	46.3	-89.9	0	0	0	111.6	I21 D22 G24 R47 R77 I78 H80	I21-F26 HydrophobicContact CB-CE2 3.89Å; I21-F26 HydrophobicContact CB-CZ 3.88Å; I21-F26 HydrophobicContact CD1-CZ 4.42Å; I21-F26 HydrophobicContact CG2-CE2 4.17Å; D22-F26 HydrophobicContact CB-CD1 4.19Å; D22-F26 HydrophobicContact CB-CE1 4.1Å; D22-F26 HydrophobicContact CB-CZ 4.46Å; D22-F26 WeakPolarHBondContact O-CE1 3.45Å; D22-F26 WeakPolarHBondContact O-CZ 3.43Å; G24-F26 WeakPolarHBondContact O-CE1 3.18Å; F26-R47 HydrophobicContact CB-CB 4.42Å; F26-R77 CarbonylContact O-C 3.5Å; F26-R77 VanDerWaalsContact O-CA 3.23Å; F26-R77 WeakPolarHBondContact O-CA 3.31Å; F26-I78 HydrophobicContact CD2-CB 4.29Å; F26-I78 HydrophobicContact CE1-CG2 4.35Å; F26-I78 HydrophobicContact CE2-CB 3.69Å; F26-I78 HydrophobicContact CE2-CD1 4.38Å; F26-I78 HydrophobicContact CE2-CG2 3.85Å; F26-I78 HydrophobicContact CZ-CB 3.93Å; F26-I78 HydrophobicContact CZ-CG2 3.56Å; F26-I78 PolarHBondContact N-O 3.05Å; F26-I78 PolarHBondContact O-N 2.86Å; F26-H80 HydrophobicContact CE1-CB 4.1Å; F26-H80 HydrophobicContact CZ-CB 4.12Å
27	K	98.7	Very high	97.9	Very high	41 Å²	41	44.8 Å²	44.8	18%	0.178	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	148.6	171.8	-70.8	-178.3	-178.4	178.3	0	109.7	G45 E50 I55 G76	K27-G45 VanDerWaalsContact O-CA 3.25Å; K27-G45 WeakPolarHBondContact O-CA 3.17Å; K27-E50 WeakPolarHBondContact CD-O 3.45Å; K27-E50 WeakPolarHBondContact CE-O 3.39Å; K27-E50 PolarHBondContact NZ-O 3.16Å; K27-I55 HydrophobicContact CB-CD1 4.04Å; K27-I55 VanDerWaalsContact O-CD1 3.26Å; K27-I55 WeakPolarHBondContact O-CD1 3.33Å; K27-G76 WeakPolarHBondContact CA-O 3.42Å
28	Y	98.8	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.6	172.6	87.9	-79.3	0	0	0	110.9	I30 V43 R44 H52 G75 G76 R77 I78 V89 A99 H101 A104	Y28-I30 HydrophobicContact CE2-CG1 3.92Å; Y28-V43 HydrophobicContact CD2-CG1 3.92Å; Y28-R44 CarbonylContact C-O 3.54Å; Y28-R44 WeakPolarHBondContact CA-O 2.91Å; Y28-R44 WeakPolarHBondContact CB-O 3.28Å; Y28-H52 PolarHBondContact O-CD2 2.97Å; Y28-H52 PolarHBondContact O-NE2 2.97Å; Y28-G75 CarbonylContact O-C 3.54Å; Y28-G75 WeakPolarHBondContact O-CA 3.31Å; Y28-G76 VanDerWaalsContact CE1-C 3.46Å; Y28-G76 VanDerWaalsContact CE1-CA 3.43Å; Y28-G76 PolarHBondContact N-O 2.81Å; Y28-G76 PolarHBondContact O-N 3.03Å; Y28-R77 VanDerWaalsContact CD1-C 3.48Å; Y28-R77 VanDerWaalsContact CD1-N 3.34Å; Y28-I78 HydrophobicContact CD1-CD1 4.01Å; Y28-I78 HydrophobicContact CD1-CG1 3.62Å; Y28-I78 HydrophobicContact CD2-CD1 4.04Å; Y28-I78 HydrophobicContact CE1-CG1 4.2Å; Y28-I78 HydrophobicContact CG-CD1 3.62Å; Y28-I78 HydrophobicContact CG-CG1 3.79Å; Y28-V89 HydrophobicContact CE1-CG1 3.65Å; Y28-V89 HydrophobicContact CE2-CG1 4.49Å; Y28-V89 WeakPolarHBondContact OH-CG1 3.45Å; Y28-A99 HydrophobicContact CE2-CB 4.28Å; Y28-H101 PolarHBondContact OH-CD2 3.41Å; Y28-H101 PolarHBondContact OH-NE2 3.39Å; Y28-A104 HydrophobicContact CE2-CB 3.88Å
29	V	98.8	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.7	171.1	-66.5	0	0	0	0	111	V31 R44 H52 I55 L56 G74	V29-V31 HydrophobicContact CB-CG2 4.37Å; V29-V31 HydrophobicContact CG2-CG2 3.75Å; V29-R44 HydrophobicContact CG2-CB 4.26Å; V29-R44 PolarHBondContact N-O 2.98Å; V29-R44 PolarHBondContact O-N 3.06Å; V29-R44 VanDerWaalsContact O-N 3.12Å; V29-H52 HydrophobicContact CG1-CB 3.8Å; V29-I55 HydrophobicContact CG1-CD1 4.48Å; V29-I55 HydrophobicContact CG2-CB 4.14Å; V29-I55 HydrophobicContact CG2-CG2 3.64Å; V29-L56 HydrophobicContact CG2-CD2 4.16Å; V29-G74 WeakPolarHBondContact CA-O 3.45Å
30	I	98.8	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	161	-57.4	-175.7	0	0	0	108.2	Y28 I42 T73 G74 A99 D100 L103 A104	Y28-I30 HydrophobicContact CE2-CG1 3.92Å; I30-I42 WeakPolarHBondContact CA-O 3.42Å; I30-T73 WeakPolarHBondContact CB-OG1 3.49Å; I30-T73 VanDerWaalsContact CG2-OG1 3.31Å; I30-T73 WeakPolarHBondContact CG2-OG1 3.48Å; I30-T73 PolarHBondContact O-N 2.88Å; I30-T73 PolarHBondContact O-OG1 2.9Å; I30-G74 PolarHBondContact N-O 2.99Å; I30-A99 HydrophobicContact CB-CB 4.49Å; I30-A99 HydrophobicContact CD1-CB 3.85Å; I30-A99 HydrophobicContact CG1-CB 3.91Å; I30-D100 VanDerWaalsContact CD1-O 3.26Å; I30-D100 WeakPolarHBondContact CD1-O 3.48Å; I30-L103 HydrophobicContact CD1-CB 4.33Å; I30-L103 HydrophobicContact CD1-CD2 4.28Å; I30-L103 HydrophobicContact CD1-CG 4.34Å; I30-L103 HydrophobicContact CG2-CD2 4.37Å; I30-A104 HydrophobicContact CD1-CB 4.02Å
31	V	98.9	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.5	178.9	-174.5	0	0	0	0	109	V29 I33 S41 I42 L56 I59 F70 K71	V29-V31 HydrophobicContact CB-CG2 4.37Å; V29-V31 HydrophobicContact CG2-CG2 3.75Å; V31-I33 HydrophobicContact CG1-CG2 4.02Å; V31-S41 CarbonylContact O-C 3.55Å; V31-S41 VanDerWaalsContact O-CA 3.31Å; V31-S41 WeakPolarHBondContact O-CA 3.42Å; V31-I42 HydrophobicContact CB-CD1 4.38Å; V31-I42 HydrophobicContact CB-CG1 3.89Å; V31-I42 PolarHBondContact N-O 2.87Å; V31-I42 WeakPolarHBondContact O-CG1 3.45Å; V31-I42 PolarHBondContact O-N 2.84Å; V31-L56 HydrophobicContact CG2-CD2 3.55Å; V31-I59 HydrophobicContact CG2-CD1 3.92Å; V31-F70 HydrophobicContact CG1-CB 3.75Å; V31-F70 HydrophobicContact CG1-CD2 4.39Å; V31-K71 CarbonylContact C-O 3.58Å; V31-K71 WeakPolarHBondContact CA-O 3.47Å
32	E	98.7	Very high	97.7	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.3	165.6	-174.4	177.5	83	0	0	108.1	K39 F70 K71 T73	E32-K39 HydrophobicContact CG-CB 4.3Å; E32-K39 HydrophobicContact CG-CD 4.45Å; E32-K39 IonicContact OE1-NZ 3.91Å; E32-K39 WeakPolarHBondContact OE2-CD 3.24Å; E32-K39 WeakPolarHBondContact OE2-CE 3.46Å; E32-K39 IonicContact OE2-NZ 2.71Å; E32-K39 PolarHBondContact OE2-NZ 3.03Å; E32-F70 CarbonylContact O-C 3.51Å; E32-F70 VanDerWaalsContact O-CA 3.24Å; E32-F70 WeakPolarHBondContact O-CA 3.26Å; E32-K71 PolarHBondContact N-O 3.4Å; E32-K71 PolarHBondContact O-N 2.87Å; E32-T73 HydrophobicContact CB-CG2 4.05Å
33	I	98.5	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.1	173.4	59.5	167.2	0	0	0	109.9	M13 V16 V31 K39 K40 I42 L63 L68 S69 F70	M13-I33 HydrophobicContact CE-CG1 4.33Å; M13-I33 HydrophobicContact SD-CD1 3.56Å; M13-I33 VanDerWaalsContact SD-CD1 3.56Å; M13-I33 HydrophobicContact SD-CG1 3.75Å; V16-I33 HydrophobicContact CB-CD1 3.95Å; V16-I33 HydrophobicContact CG1-CD1 3.81Å; V16-I33 HydrophobicContact CG2-CD1 4.19Å; V31-I33 HydrophobicContact CG1-CG2 4.02Å; I33-K39 CarbonylContact O-C 3.53Å; I33-K39 WeakPolarHBondContact O-CA 3.01Å; I33-K39 WeakPolarHBondContact O-CB 3.37Å; I33-K40 HydrophobicContact CD1-CD 4.38Å; I33-K40 HydrophobicContact CD1-CG 3.96Å; I33-K40 HydrophobicContact CG1-CG 3.74Å; I33-K40 WeakPolarHBondContact CG1-O 3.48Å; I33-K40 PolarHBondContact N-O 3.19Å; I33-K40 PolarHBondContact O-N 2.82Å; I33-I42 HydrophobicContact CD1-CD1 4.31Å; I33-I42 HydrophobicContact CD1-CG2 3.87Å; I33-I42 HydrophobicContact CG1-CG2 4.18Å; I33-I42 HydrophobicContact CG2-CD1 3.78Å; I33-I42 HydrophobicContact CG2-CG1 4.26Å; I33-L63 HydrophobicContact CG2-CD1 3.9Å; I33-L63 HydrophobicContact CG2-CD2 4.01Å; I33-L68 HydrophobicContact CD1-CD1 4.1Å; I33-S69 CarbonylContact C-O 3.5Å; I33-S69 VanDerWaalsContact CA-O 3.28Å; I33-S69 WeakPolarHBondContact CA-O 3.36Å; I33-F70 HydrophobicContact CG2-CB 3.94Å
34	T	97.9	Very high	97.7	Very high	39 Å²	39	39.5 Å²	39.5	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.1	-177.4	-179.9	0	0	0	0	111.9	G36 S38 L68 S69	T34-G36 PolarHBondContact OG1-N 3.13Å; T34-G36 VanDerWaalsContact OG1-N 3.08Å; T34-S38 VanDerWaalsContact CA-O 3.26Å; T34-S38 WeakPolarHBondContact CA-O 3.5Å; T34-S38 PolarHBondContact OG1-O 3.4Å; T34-L68 WeakPolarHBondContact O-CA 3.37Å; T34-S69 PolarHBondContact N-O 3.38Å; T34-S69 PolarHBondContact O-N 3.22Å
35	D	95.6	Very high	97.7	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.364	21%	0.211	S	C	.	.			trans	-96	8.5	170.6	67.4	4.4	0	0	0	112.4	M13 K37 S38 L68	M13-D35 HydrophobicContact CE-CB 4.38Å; D35-K37 VanDerWaalsContact C-N 3.34Å; D35-K37 WeakPolarHBondContact OD1-CA 3.33Å; D35-K37 WeakPolarHBondContact OD1-CB 3.43Å; D35-K37 PolarHBondContact OD1-N 3.36Å; D35-S38 PolarHBondContact N-O 3.5Å; D35-S38 PolarHBondContact OD1-N 3.34Å; D35-S38 PolarHBondContact OD1-OG 2.88Å; D35-S38 PolarHBondContact OD2-OG 3.1Å; D35-S38 VanDerWaalsContact OD2-OG 3.08Å; D35-L68 HydrophobicContact CB-CD2 3.84Å
36	G	93.7	Very high	97.8	Very high	69 Å²	69	37.3 Å²	37.3	71%	0.711	20%	0.198	S	C	*	.	S	Bend	trans	88.3	-10.1	-174.7	0	0	0	0	0	114.7	T34	T34-G36 PolarHBondContact OG1-N 3.13Å; T34-G36 VanDerWaalsContact OG1-N 3.08Å
37	K	93.3	Very high	97.7	Very high	204 Å²	204	44.9 Å²	44.9	89%	0.887	23%	0.227	S	C	*	.	S	Bend	trans	-119.1	-43.7	176.1	-61.5	-178.8	-178.1	177.4	0	112.1	D35	D35-K37 VanDerWaalsContact C-N 3.34Å; D35-K37 WeakPolarHBondContact OD1-CA 3.33Å; D35-K37 WeakPolarHBondContact OD1-CB 3.43Å; D35-K37 PolarHBondContact OD1-N 3.36Å
38	S	95	Very high	97.7	Very high	51 Å²	51	47.6 Å²	47.6	36%	0.357	26%	0.257	S	S	.	.			trans	-123	154.4	-177	73.6	0	0	0	0	109.8	T34 D35	T34-S38 VanDerWaalsContact CA-O 3.26Å; T34-S38 WeakPolarHBondContact CA-O 3.5Å; T34-S38 PolarHBondContact OG1-O 3.4Å; D35-S38 PolarHBondContact N-O 3.5Å; D35-S38 PolarHBondContact OD1-N 3.34Å; D35-S38 PolarHBondContact OD1-OG 2.88Å; D35-S38 PolarHBondContact OD2-OG 3.1Å; D35-S38 VanDerWaalsContact OD2-OG 3.08Å
39	K	97.2	Very high	97.7	Very high	138 Å²	138	48.4 Å²	48.4	60%	0.6	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.5	178.1	68.5	-173.9	-163.5	149.9	0	111	E32 I33	E32-K39 HydrophobicContact CG-CB 4.3Å; E32-K39 HydrophobicContact CG-CD 4.45Å; E32-K39 IonicContact OE1-NZ 3.91Å; E32-K39 WeakPolarHBondContact OE2-CD 3.24Å; E32-K39 WeakPolarHBondContact OE2-CE 3.46Å; E32-K39 IonicContact OE2-NZ 2.71Å; E32-K39 PolarHBondContact OE2-NZ 3.03Å; I33-K39 CarbonylContact O-C 3.53Å; I33-K39 WeakPolarHBondContact O-CA 3.01Å; I33-K39 WeakPolarHBondContact O-CB 3.37Å
40	K	97.6	Very high	97.6	Very high	40 Å²	40	54.6 Å²	54.6	17%	0.174	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.7	168	76.4	-172.9	-177	176.4	0	110.7	M13 V16 I33 I42	M13-K40 HydrophobicContact CG-CD 4.03Å; M13-K40 VanDerWaalsContact O-CE 3.28Å; M13-K40 WeakPolarHBondContact O-CE 3.49Å; M13-K40 PolarHBondContact O-NZ 3.24Å; M13-K40 HydrophobicContact SD-CB 4.41Å; M13-K40 HydrophobicContact SD-CD 3.6Å; M13-K40 HydrophobicContact SD-CG 3.57Å; M13-K40 VanDerWaalsContact SD-CG 3.57Å; V16-K40 PolarHBondContact O-NZ 3.03Å; I33-K40 HydrophobicContact CD1-CD 4.38Å; I33-K40 HydrophobicContact CD1-CG 3.96Å; I33-K40 HydrophobicContact CG1-CG 3.74Å; I33-K40 WeakPolarHBondContact CG1-O 3.48Å; I33-K40 PolarHBondContact N-O 3.19Å; I33-K40 PolarHBondContact O-N 2.82Å; K40-I42 HydrophobicContact CG-CG2 4.2Å
41	S	98.6	Very high	97.6	Very high	23 Å²	23	60.4 Å²	60.4	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.1	170	-49.8	0	0	0	0	110.1	V31 K107	V31-S41 CarbonylContact O-C 3.55Å; V31-S41 VanDerWaalsContact O-CA 3.31Å; V31-S41 WeakPolarHBondContact O-CA 3.42Å; S41-K107 WeakPolarHBondContact O-CE 3.3Å; S41-K107 PolarHBondContact O-NZ 2.74Å
42	I	98.8	Very high	97.6	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.2	174.1	63.5	176.7	0	0	0	109.7	V16 N18 I30 V31 I33 K40 R44	V16-I42 HydrophobicContact CG1-CD1 3.98Å; V16-I42 HydrophobicContact CG1-CG2 4.17Å; N18-I42 CarbonylContact O-C 3.47Å; N18-I42 VanDerWaalsContact O-CA 3.27Å; N18-I42 WeakPolarHBondContact O-CA 3.18Å; I30-I42 WeakPolarHBondContact CA-O 3.42Å; V31-I42 HydrophobicContact CB-CD1 4.38Å; V31-I42 HydrophobicContact CB-CG1 3.89Å; V31-I42 PolarHBondContact N-O 2.87Å; V31-I42 WeakPolarHBondContact O-CG1 3.45Å; V31-I42 PolarHBondContact O-N 2.84Å; I33-I42 HydrophobicContact CD1-CD1 4.31Å; I33-I42 HydrophobicContact CD1-CG2 3.87Å; I33-I42 HydrophobicContact CG1-CG2 4.18Å; I33-I42 HydrophobicContact CG2-CD1 3.78Å; I33-I42 HydrophobicContact CG2-CG1 4.26Å; K40-I42 HydrophobicContact CG-CG2 4.2Å; I42-R44 HydrophobicContact CD1-CG 4.46Å
43	V	98.9	Very high	97.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.6	176.5	-178.4	0	0	0	0	108.6	N18 V19 V20 I21 Y28 I78 K107	N18-V43 PolarHBondContact O-N 2.94Å; V19-V43 WeakPolarHBondContact CA-O 3.42Å; V19-V43 HydrophobicContact CG1-CB 4.26Å; V19-V43 HydrophobicContact CG1-CG1 4.5Å; V19-V43 HydrophobicContact CG2-CB 4.13Å; V19-V43 HydrophobicContact CG2-CG2 4.34Å; V20-V43 PolarHBondContact N-O 3.44Å; I21-V43 HydrophobicContact CG2-CG1 4.21Å; Y28-V43 HydrophobicContact CD2-CG1 3.92Å; V43-I78 HydrophobicContact CG1-CD1 4.16Å; V43-K107 HydrophobicContact CG2-CB 4.09Å; V43-K107 HydrophobicContact CG2-CD 4.04Å
44	R	98.9	Very high	97.6	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.045	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.8	178.6	-65.5	-68.9	-176.3	-87.4	3.7	109.9	V16 P17 V20 Y28 V29 I42 F46 I55 I59	V16-R44 VanDerWaalsContact CG1-NH2 3.25Å; P17-R44 VanDerWaalsContact O-CZ 3.31Å; P17-R44 PolarHBondContact O-NH1 2.84Å; P17-R44 PolarHBondContact O-NH2 2.94Å; V20-R44 WeakPolarHBondContact O-CA 3.48Å; Y28-R44 CarbonylContact C-O 3.54Å; Y28-R44 WeakPolarHBondContact CA-O 2.91Å; Y28-R44 WeakPolarHBondContact CB-O 3.28Å; V29-R44 HydrophobicContact CG2-CB 4.26Å; V29-R44 PolarHBondContact N-O 2.98Å; V29-R44 PolarHBondContact O-N 3.06Å; V29-R44 VanDerWaalsContact O-N 3.12Å; I42-R44 HydrophobicContact CD1-CG 4.46Å; R44-F46 HydrophobicContact CB-CZ 4.46Å; R44-I55 HydrophobicContact CB-CG2 3.62Å; R44-I59 HydrophobicContact CB-CG2 4.41Å; R44-I59 HydrophobicContact CG-CD1 3.97Å; R44-I59 HydrophobicContact CG-CG2 3.93Å
45	G	98.8	Very high	97.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	121	176.8	0	0	0	0	0	111.9	V20 I21 D22 K27	V20-G45 PolarHBondContact O-N 3.09Å; V20-G45 VanDerWaalsContact O-N 3.17Å; I21-G45 VanDerWaalsContact CA-O 3.28Å; I21-G45 WeakPolarHBondContact CA-O 3.41Å; D22-G45 PolarHBondContact N-O 3.14Å; D22-G45 VanDerWaalsContact N-O 3.07Å; K27-G45 VanDerWaalsContact O-CA 3.25Å; K27-G45 WeakPolarHBondContact O-CA 3.17Å
46	F	98.7	Very high	97.7	Very high	33 Å²	33	60.4 Å²	60.4	15%	0.145	31%	0.313	C	S	.	.			trans	-125.3	137	-174.8	-48.8	-60	0	0	0	109.7	V20 D22 R44 A48 C49 I55 E58 I59	V20-F46 HydrophobicContact CB-CE1 4.49Å; V20-F46 HydrophobicContact CG1-CE1 3.92Å; D22-F46 WeakPolarHBondContact OD2-CA 3.48Å; R44-F46 HydrophobicContact CB-CZ 4.46Å; F46-A48 VanDerWaalsContact C-N 3.26Å; F46-A48 PolarHBondContact O-N 2.6Å; F46-C49 HydrophobicContact CB-CB 4.37Å; F46-C49 PolarHBondContact O-N 3.08Å; F46-I55 HydrophobicContact CD2-CB 4.48Å; F46-I55 HydrophobicContact CD2-CG1 4.42Å; F46-I55 HydrophobicContact CD2-CG2 3.91Å; F46-I55 HydrophobicContact CE2-CG2 3.83Å; F46-E58 HydrophobicContact CD2-CB 4.39Å; F46-E58 HydrophobicContact CD2-CG 4.03Å; F46-E58 HydrophobicContact CE2-CB 4.12Å; F46-E58 HydrophobicContact CE2-CG 3.72Å; F46-E58 HydrophobicContact CZ-CG 4.44Å; F46-I59 HydrophobicContact CE2-CG2 3.86Å; F46-I59 HydrophobicContact CZ-CG2 4.01Å
47	R	98.2	Very high	98	Very high	170 Å²	170	62.4 Å²	62.4	64%	0.642	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.4	-178.2	-166.7	178.8	-164.6	168.4	3.8	112.7	D22 F26 C49	D22-R47 HydrophobicContact CB-CB 4.15Å; D22-R47 PolarHBondContact OD2-N 3.42Å; F26-R47 HydrophobicContact CB-CB 4.42Å; R47-C49 VanDerWaalsContact C-N 3.31Å
48	A	97.9	Very high	98.2	Very high	98 Å²	98	59 Å²	59	81%	0.81	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.8	177.7	0	0	0	0	0	113.4	F46 E50	F46-A48 VanDerWaalsContact C-N 3.26Å; F46-A48 PolarHBondContact O-N 2.6Å; A48-E50 PolarHBondContact O-N 3.24Å
49	C	98.2	Very high	98.4	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.108	28%	0.278	C	S	.	.			trans	-82.7	111.6	-179.7	-68.9	0	0	0	0	110.8	F46 R47 D54 I55	F46-C49 HydrophobicContact CB-CB 4.37Å; F46-C49 PolarHBondContact O-N 3.08Å; R47-C49 VanDerWaalsContact C-N 3.31Å; C49-D54 HydrophobicContact CB-CB 3.83Å; C49-I55 HydrophobicContact CB-CD1 4.39Å; C49-I55 HydrophobicContact CB-CG1 3.51Å
50	E	97.7	Very high	98.4	Very high	130 Å²	130	53.7 Å²	53.7	61%	0.607	26%	0.263	S	S	*	.	S	Bend	trans	-74.9	-30.2	179.1	-170.5	179.8	169.2	0	0	111.2	K27 A48 D54	K27-E50 WeakPolarHBondContact CD-O 3.45Å; K27-E50 WeakPolarHBondContact CE-O 3.39Å; K27-E50 PolarHBondContact NZ-O 3.16Å; A48-E50 PolarHBondContact O-N 3.24Å; E50-D54 PolarHBondContact N-OD2 3.33Å; E50-D54 VanDerWaalsContact N-OD2 3.12Å
51	Y	98.4	Very high	98.5	Very high	123 Å²	123	55.8 Å²	55.8	48%	0.482	28%	0.28	S	S	.	.	S	Bend	trans	-121.4	159.6	-179.4	-58.6	-85.3	0	0	0	112.9	D53 D54	Y51-D53 VanDerWaalsContact C-N 3.26Å; Y51-D53 PolarHBondContact O-N 3.14Å; Y51-D54 PolarHBondContact N-OD2 2.73Å; Y51-D54 WeakPolarHBondContact O-CB 3.29Å; Y51-D54 PolarHBondContact O-N 2.72Å
52	H	98.5	Very high	98.4	Very high	11 Å²	11	57.6 Å²	57.6	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-32.5	176.5	-66.6	99.6	0	0	0	111.8	Y28 V29 D54 I55 L56 G76 Y92 S93 Y96	Y28-H52 PolarHBondContact O-CD2 2.97Å; Y28-H52 PolarHBondContact O-NE2 2.97Å; V29-H52 HydrophobicContact CG1-CB 3.8Å; H52-D54 VanDerWaalsContact C-N 3.34Å; H52-I55 WeakPolarHBondContact O-CB 3.47Å; H52-I55 PolarHBondContact O-N 2.8Å; H52-L56 PolarHBondContact O-N 3.41Å; H52-G76 PolarHBondContact NE2-N 3.05Å; H52-G76 PolarHBondContact NE2-O 2.86Å; H52-Y92 PolarHBondContact CE1-O 2.91Å; H52-S93 WeakPolarHBondContact CE1-CA 3.25Å; H52-S93 VanDerWaalsContact CG-OG 3.27Å; H52-S93 WeakPolarHBondContact ND1-CB 2.98Å; H52-S93 PolarHBondContact ND1-OG 2.73Å; H52-Y96 HydrophobicContact CB-CD2 3.88Å; H52-Y96 HydrophobicContact CB-CE2 3.97Å
53	D	98.4	Very high	98.4	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-37	176.5	-65.6	32.2	0	0	0	111.2	Y51 I55 L56 E57 Y96	Y51-D53 VanDerWaalsContact C-N 3.26Å; Y51-D53 PolarHBondContact O-N 3.14Å; D53-I55 PolarHBondContact O-N 2.74Å; D53-L56 WeakPolarHBondContact O-CB 3.24Å; D53-L56 PolarHBondContact O-N 3.37Å; D53-E57 PolarHBondContact O-N 2.75Å; D53-Y96 WeakPolarHBondContact OD1-CE2 3.21Å; D53-Y96 VanDerWaalsContact OD1-CZ 3.28Å; D53-Y96 PolarHBondContact OD1-OH 2.83Å; D53-Y96 PolarHBondContact OD2-OH 2.86Å
54	D	98.6	Very high	98.4	Very high	63 Å²	63	62.5 Å²	62.5	34%	0.337	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-38.1	175.7	-54.7	-23.2	0	0	0	111.1	C49 E50 Y51 H52 L56 E57 E58	C49-D54 HydrophobicContact CB-CB 3.83Å; E50-D54 PolarHBondContact N-OD2 3.33Å; E50-D54 VanDerWaalsContact N-OD2 3.12Å; Y51-D54 PolarHBondContact N-OD2 2.73Å; Y51-D54 WeakPolarHBondContact O-CB 3.29Å; Y51-D54 PolarHBondContact O-N 2.72Å; H52-D54 VanDerWaalsContact C-N 3.34Å; D54-L56 VanDerWaalsContact C-N 3.31Å; D54-L56 PolarHBondContact O-N 2.87Å; D54-E57 PolarHBondContact O-N 2.68Å; D54-E58 WeakPolarHBondContact O-CB 3.27Å; D54-E58 PolarHBondContact O-N 3.07Å
55	I	98.8	Very high	98.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-37.1	177.5	-54.7	169.2	0	0	0	110.6	K27 V29 R44 F46 C49 H52 D53 I59	K27-I55 HydrophobicContact CB-CD1 4.04Å; K27-I55 VanDerWaalsContact O-CD1 3.26Å; K27-I55 WeakPolarHBondContact O-CD1 3.33Å; V29-I55 HydrophobicContact CG1-CD1 4.48Å; V29-I55 HydrophobicContact CG2-CB 4.14Å; V29-I55 HydrophobicContact CG2-CG2 3.64Å; R44-I55 HydrophobicContact CB-CG2 3.62Å; F46-I55 HydrophobicContact CD2-CB 4.48Å; F46-I55 HydrophobicContact CD2-CG1 4.42Å; F46-I55 HydrophobicContact CD2-CG2 3.91Å; F46-I55 HydrophobicContact CE2-CG2 3.83Å; C49-I55 HydrophobicContact CB-CD1 4.39Å; C49-I55 HydrophobicContact CB-CG1 3.51Å; H52-I55 WeakPolarHBondContact O-CB 3.47Å; H52-I55 PolarHBondContact O-N 2.8Å; D53-I55 PolarHBondContact O-N 2.74Å; I55-I59 WeakPolarHBondContact O-CG1 3.39Å; I55-I59 PolarHBondContact O-N 3.25Å
56	L	98.5	Very high	98.2	Very high	14 Å²	14	72.2 Å²	72.2	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-71	-42.5	177.5	-67.9	178.6	0	0	0	111.6	V29 V31 H52 D53 D54 E58 I59 K60 C72 Y96	V29-L56 HydrophobicContact CG2-CD2 4.16Å; V31-L56 HydrophobicContact CG2-CD2 3.55Å; H52-L56 PolarHBondContact O-N 3.41Å; D53-L56 WeakPolarHBondContact O-CB 3.24Å; D53-L56 PolarHBondContact O-N 3.37Å; D54-L56 VanDerWaalsContact C-N 3.31Å; D54-L56 PolarHBondContact O-N 2.87Å; L56-E58 VanDerWaalsContact C-N 3.28Å; L56-E58 PolarHBondContact O-N 3.33Å; L56-I59 HydrophobicContact CD2-CD1 4.33Å; L56-I59 PolarHBondContact O-N 2.9Å; L56-K60 WeakPolarHBondContact O-CB 3.37Å; L56-K60 PolarHBondContact O-N 2.83Å; L56-C72 HydrophobicContact CD1-CB 3.67Å; L56-C72 HydrophobicContact CD2-CB 4.05Å; L56-C72 HydrophobicContact CG-CB 4.45Å; L56-Y96 HydrophobicContact CD1-CE1 4.09Å; L56-Y96 HydrophobicContact CD1-CE2 3.65Å; L56-Y96 WeakPolarHBondContact CD1-OH 3.38Å
57	E	98.5	Very high	98.1	Very high	112 Å²	112	79.5 Å²	79.5	52%	0.523	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-33.3	176.1	-68.3	-57.8	132.9	0	0	111.8	D53 D54 K60 P61	D53-E57 PolarHBondContact O-N 2.75Å; D54-E57 PolarHBondContact O-N 2.68Å; E57-K60 VanDerWaalsContact CD-NZ 3.29Å; E57-K60 IonicContact OE1-NZ 2.74Å; E57-K60 PolarHBondContact OE1-NZ 2.87Å; E57-K60 IonicContact OE2-NZ 2.85Å; E57-K60 PolarHBondContact OE2-NZ 3.35Å; E57-P61 WeakPolarHBondContact O-CD 3.34Å
58	E	98.5	Very high	98.1	Very high	131 Å²	131	71.6 Å²	71.6	61%	0.612	36%	0.361	S	S	*	.	H	α-helix	trans	-63	-45.1	174.8	-175.8	66.6	-165.4	0	0	112.6	F46 D54 L56	F46-E58 HydrophobicContact CD2-CB 4.39Å; F46-E58 HydrophobicContact CD2-CG 4.03Å; F46-E58 HydrophobicContact CE2-CB 4.12Å; F46-E58 HydrophobicContact CE2-CG 3.72Å; F46-E58 HydrophobicContact CZ-CG 4.44Å; D54-E58 WeakPolarHBondContact O-CB 3.27Å; D54-E58 PolarHBondContact O-N 3.07Å; L56-E58 VanDerWaalsContact C-N 3.28Å; L56-E58 PolarHBondContact O-N 3.33Å
59	I	98.4	Very high	98.1	Very high	14 Å²	14	70.6 Å²	70.6	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-87.6	-19.9	-175.1	69.2	179.3	0	0	0	113.9	V31 R44 F46 I55 L56 D62 L63	V31-I59 HydrophobicContact CG2-CD1 3.92Å; R44-I59 HydrophobicContact CB-CG2 4.41Å; R44-I59 HydrophobicContact CG-CD1 3.97Å; R44-I59 HydrophobicContact CG-CG2 3.93Å; F46-I59 HydrophobicContact CE2-CG2 3.86Å; F46-I59 HydrophobicContact CZ-CG2 4.01Å; I55-I59 WeakPolarHBondContact O-CG1 3.39Å; I55-I59 PolarHBondContact O-N 3.25Å; L56-I59 HydrophobicContact CD2-CD1 4.33Å; L56-I59 PolarHBondContact O-N 2.9Å; I59-D62 PolarHBondContact O-N 2.86Å; I59-L63 HydrophobicContact CD1-CD1 4.03Å; I59-L63 HydrophobicContact CG1-CD1 4.04Å; I59-L63 WeakPolarHBondContact O-CG 3.45Å; I59-L63 PolarHBondContact O-N 3.05Å
60	K	98.5	Very high	98.1	Very high	65 Å²	65	72.8 Å²	72.8	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-58.4	-43.6	-173.4	165.4	-178.6	-178.5	-167.3	0	113.8	L56 E57 D62 L63 L64 F70	L56-K60 WeakPolarHBondContact O-CB 3.37Å; L56-K60 PolarHBondContact O-N 2.83Å; E57-K60 VanDerWaalsContact CD-NZ 3.29Å; E57-K60 IonicContact OE1-NZ 2.74Å; E57-K60 PolarHBondContact OE1-NZ 2.87Å; E57-K60 IonicContact OE2-NZ 2.85Å; E57-K60 PolarHBondContact OE2-NZ 3.35Å; K60-D62 VanDerWaalsContact C-N 3.35Å; K60-D62 PolarHBondContact O-N 3.49Å; K60-L63 PolarHBondContact O-N 3.32Å; K60-L64 HydrophobicContact CG-CD1 3.82Å; K60-L64 HydrophobicContact CG-CG 4.22Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 VanDerWaalsContact O-CG 3.28Å; K60-L64 WeakPolarHBondContact O-CG 3.25Å; K60-L64 PolarHBondContact O-N 2.86Å; K60-F70 HydrophobicContact CB-CE1 4.22Å; K60-F70 HydrophobicContact CB-CZ 3.83Å; K60-F70 HydrophobicContact CD-CZ 3.89Å; K60-F70 HydrophobicContact CG-CE1 3.9Å; K60-F70 HydrophobicContact CG-CZ 3.57Å
61	P	98.5	Very high	98.1	Very high	83 Å²	83	73.3 Å²	73.3	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-55.3	-47	177.6	-27.4	35.4	0	0	0	113.1	E57 L63 L64 E65	E57-P61 WeakPolarHBondContact O-CD 3.34Å; P61-L63 PolarHBondContact O-N 2.9Å; P61-L64 PolarHBondContact O-N 3.07Å; P61-E65 WeakPolarHBondContact O-CB 3.28Å; P61-E65 PolarHBondContact O-N 2.71Å
62	D	98	Very high	98.1	Very high	62 Å²	62	68.4 Å²	68.4	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-43.5	179.3	179.5	69	0	0	0	112	I59 K60 E65 K66	I59-D62 PolarHBondContact O-N 2.86Å; K60-D62 VanDerWaalsContact C-N 3.35Å; K60-D62 PolarHBondContact O-N 3.49Å; D62-E65 PolarHBondContact O-N 2.66Å; D62-K66 WeakPolarHBondContact O-CB 3.44Å; D62-K66 WeakPolarHBondContact O-CG 3.49Å; D62-K66 PolarHBondContact O-N 2.72Å; D62-K66 WeakPolarHBondContact OD1-CE 3.37Å; D62-K66 IonicContact OD1-NZ 2.66Å; D62-K66 PolarHBondContact OD1-NZ 2.81Å; D62-K66 IonicContact OD2-NZ 3.73Å
63	L	98.3	Very high	98.1	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-40.1	178.8	-63.5	179.3	0	0	0	112.1	V16 I33 I59 K60 P61 K66 K67 L68 F70	V16-L63 HydrophobicContact CG1-CD2 4.3Å; V16-L63 HydrophobicContact CG2-CD2 4.15Å; I33-L63 HydrophobicContact CG2-CD1 3.9Å; I33-L63 HydrophobicContact CG2-CD2 4.01Å; I59-L63 HydrophobicContact CD1-CD1 4.03Å; I59-L63 HydrophobicContact CG1-CD1 4.04Å; I59-L63 WeakPolarHBondContact O-CG 3.45Å; I59-L63 PolarHBondContact O-N 3.05Å; K60-L63 PolarHBondContact O-N 3.32Å; P61-L63 PolarHBondContact O-N 2.9Å; L63-K66 CarbonylContact O-C 3.59Å; L63-K66 PolarHBondContact O-N 2.85Å; L63-K67 PolarHBondContact O-N 2.75Å; L63-L68 HydrophobicContact CD2-CD1 4.22Å; L63-L68 PolarHBondContact O-N 3.21Å; L63-F70 HydrophobicContact CB-CD1 4.06Å; L63-F70 HydrophobicContact CD1-CB 3.74Å; L63-F70 HydrophobicContact CD1-CD1 3.97Å; L63-F70 HydrophobicContact CD1-CG 3.84Å
64	L	97.5	Very high	98.2	Very high	102 Å²	102	67.3 Å²	67.3	53%	0.534	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-41.4	176.8	-68.7	179.6	0	0	0	111.9	K60 P61 K66 K67 F70	K60-L64 HydrophobicContact CG-CD1 3.82Å; K60-L64 HydrophobicContact CG-CG 4.22Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 VanDerWaalsContact O-CG 3.28Å; K60-L64 WeakPolarHBondContact O-CG 3.25Å; K60-L64 PolarHBondContact O-N 2.86Å; P61-L64 PolarHBondContact O-N 3.07Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 PolarHBondContact O-N 2.83Å; L64-K67 PolarHBondContact O-N 2.74Å; L64-F70 HydrophobicContact CD2-CE1 4.15Å; L64-F70 HydrophobicContact CG-CE1 4.37Å
65	E	97.4	Very high	98.2	Very high	159 Å²	159	64.3 Å²	64.3	74%	0.743	32%	0.32	S	S	*	.	H	α-helix	trans	-58.8	-40.5	174.3	-174.5	179.1	173.5	0	0	111.2	P61 D62 K67	P61-E65 WeakPolarHBondContact O-CB 3.28Å; P61-E65 PolarHBondContact O-N 2.71Å; D62-E65 PolarHBondContact O-N 2.66Å; E65-K67 PolarHBondContact O-N 3.02Å
66	K	96.8	Very high	98.1	Very high	56 Å²	56	64.3 Å²	64.3	24%	0.243	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.3	175.5	-73.2	171.2	173.6	51.7	0	114.4	A12 S15 V16 D62 L63 L64 L68	A12-K66 HydrophobicContact CB-CB 4.21Å; A12-K66 WeakPolarHBondContact CB-O 3.36Å; S15-K66 WeakPolarHBondContact OG-CE 2.96Å; V16-K66 HydrophobicContact CG2-CD 3.71Å; D62-K66 WeakPolarHBondContact O-CB 3.44Å; D62-K66 WeakPolarHBondContact O-CG 3.49Å; D62-K66 PolarHBondContact O-N 2.72Å; D62-K66 WeakPolarHBondContact OD1-CE 3.37Å; D62-K66 IonicContact OD1-NZ 2.66Å; D62-K66 PolarHBondContact OD1-NZ 2.81Å; D62-K66 IonicContact OD2-NZ 3.73Å; L63-K66 CarbonylContact O-C 3.59Å; L63-K66 PolarHBondContact O-N 2.85Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 PolarHBondContact O-N 2.83Å; K66-L68 HydrophobicContact CB-CD1 3.98Å; K66-L68 HydrophobicContact CB-CG 4.04Å; K66-L68 PolarHBondContact O-N 3.08Å
67	K	96.7	Very high	98.1	Very high	186 Å²	186	69.4 Å²	69.4	81%	0.809	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	33.1	-176.7	-54.2	179.4	-178.3	176.4	0	113.3	L63 L64 E65	L63-K67 PolarHBondContact O-N 2.75Å; L64-K67 PolarHBondContact O-N 2.74Å; E65-K67 PolarHBondContact O-N 3.02Å
68	L	98.2	Very high	98.1	Very high	4 Å²	4	64 Å²	64	2%	0.021	31%	0.313	C	S	.	.			trans	-97	126.7	176.3	-63.2	173	0	0	0	109.4	M13 V16 I33 T34 D35 L63 K66	M13-L68 HydrophobicContact CE-CD2 3.94Å; V16-L68 HydrophobicContact CG2-CD1 3.59Å; I33-L68 HydrophobicContact CD1-CD1 4.1Å; T34-L68 WeakPolarHBondContact O-CA 3.37Å; D35-L68 HydrophobicContact CB-CD2 3.84Å; L63-L68 HydrophobicContact CD2-CD1 4.22Å; L63-L68 PolarHBondContact O-N 3.21Å; K66-L68 HydrophobicContact CB-CD1 3.98Å; K66-L68 HydrophobicContact CB-CG 4.04Å; K66-L68 PolarHBondContact O-N 3.08Å
69	S	98.1	Very high	98.1	Very high	77 Å²	77	60.8 Å²	60.8	54%	0.538	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.6	167	-61.3	0	0	0	0	109.2	I33 T34	I33-S69 CarbonylContact C-O 3.5Å; I33-S69 VanDerWaalsContact CA-O 3.28Å; I33-S69 WeakPolarHBondContact CA-O 3.36Å; T34-S69 PolarHBondContact N-O 3.38Å; T34-S69 PolarHBondContact O-N 3.22Å
70	F	98.4	Very high	98.2	Very high	63 Å²	63	60.8 Å²	60.8	28%	0.276	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.5	-176.1	65.2	-89.8	0	0	0	112.3	V31 E32 I33 K60 L63 L64	V31-F70 HydrophobicContact CG1-CB 3.75Å; V31-F70 HydrophobicContact CG1-CD2 4.39Å; E32-F70 CarbonylContact O-C 3.51Å; E32-F70 VanDerWaalsContact O-CA 3.24Å; E32-F70 WeakPolarHBondContact O-CA 3.26Å; I33-F70 HydrophobicContact CG2-CB 3.94Å; K60-F70 HydrophobicContact CB-CE1 4.22Å; K60-F70 HydrophobicContact CB-CZ 3.83Å; K60-F70 HydrophobicContact CD-CZ 3.89Å; K60-F70 HydrophobicContact CG-CE1 3.9Å; K60-F70 HydrophobicContact CG-CZ 3.57Å; L63-F70 HydrophobicContact CB-CD1 4.06Å; L63-F70 HydrophobicContact CD1-CB 3.74Å; L63-F70 HydrophobicContact CD1-CD1 3.97Å; L63-F70 HydrophobicContact CD1-CG 3.84Å; L64-F70 HydrophobicContact CD2-CE1 4.15Å; L64-F70 HydrophobicContact CG-CE1 4.37Å
71	K	98.2	Very high	98.2	Very high	140 Å²	140	59.2 Å²	59.2	61%	0.609	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.7	176.4	179.2	-179.5	176.1	-176.3	0	109.9	V31 E32 T73	V31-K71 CarbonylContact C-O 3.58Å; V31-K71 WeakPolarHBondContact CA-O 3.47Å; E32-K71 PolarHBondContact N-O 3.4Å; E32-K71 PolarHBondContact O-N 2.87Å; K71-T73 PolarHBondContact O-N 3.32Å
72	C	98.6	Very high	98.1	Very high	20 Å²	20	57.6 Å²	57.6	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.5	169.4	-170.3	0	0	0	0	109.9	L56 Y96	L56-C72 HydrophobicContact CD1-CB 3.67Å; L56-C72 HydrophobicContact CD2-CB 4.05Å; L56-C72 HydrophobicContact CG-CB 4.45Å; C72-Y96 HydrophobicContact CB-CD1 3.89Å; C72-Y96 HydrophobicContact CB-CD2 4.43Å; C72-Y96 HydrophobicContact CB-CE1 4.12Å; C72-Y96 HydrophobicContact CB-CG 4.08Å; C72-Y96 VanDerWaalsContact SG-CD2 3.55Å
73	T	98.5	Very high	98.1	Very high	61 Å²	61	61.6 Å²	61.6	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	8.1	-178.3	56	0	0	0	0	112.9	I30 E32 K71	I30-T73 WeakPolarHBondContact CB-OG1 3.49Å; I30-T73 VanDerWaalsContact CG2-OG1 3.31Å; I30-T73 WeakPolarHBondContact CG2-OG1 3.48Å; I30-T73 PolarHBondContact O-N 2.88Å; I30-T73 PolarHBondContact O-OG1 2.9Å; E32-T73 HydrophobicContact CB-CG2 4.05Å; K71-T73 PolarHBondContact O-N 3.32Å
74	G	98.6	Very high	98.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.5	171.5	-179.4	0	0	0	0	0	111.4	V29 I30 Y96	V29-G74 WeakPolarHBondContact CA-O 3.45Å; I30-G74 PolarHBondContact N-O 2.99Å; G74-Y96 WeakPolarHBondContact CA-O 3.28Å
75	G	98.5	Very high	98.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-173.6	173.6	0	0	0	0	0	113.1	Y28 Y92 S93 G97 A99	Y28-G75 CarbonylContact O-C 3.54Å; Y28-G75 WeakPolarHBondContact O-CA 3.31Å; G75-Y92 CarbonylContact O-C 3.52Å; G75-Y92 VanDerWaalsContact O-CA 3.3Å; G75-Y92 WeakPolarHBondContact O-CA 3.32Å; G75-S93 PolarHBondContact O-N 3.28Å; G75-G97 PolarHBondContact N-O 3.19Å; G75-A99 PolarHBondContact O-N 2.94Å; G75-A99 VanDerWaalsContact O-N 3.13Å
76	G	98.1	Very high	98.2	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-142.4	176.1	0	0	0	0	0	110.5	K27 Y28 H52 Y90	K27-G76 WeakPolarHBondContact CA-O 3.42Å; Y28-G76 VanDerWaalsContact CE1-C 3.46Å; Y28-G76 VanDerWaalsContact CE1-CA 3.43Å; Y28-G76 PolarHBondContact N-O 2.81Å; Y28-G76 PolarHBondContact O-N 3.03Å; H52-G76 PolarHBondContact NE2-N 3.05Å; H52-G76 PolarHBondContact NE2-O 2.86Å; G76-Y90 CarbonylContact C-O 3.51Å; G76-Y90 WeakPolarHBondContact CA-O 3.45Å
77	R	98.5	Very high	98.3	Very high	120 Å²	120	61.3 Å²	61.3	45%	0.453	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.7	175	-64	179.4	-177.6	-144.2	0.7	110.4	F26 Y28 Y90	F26-R77 CarbonylContact O-C 3.5Å; F26-R77 VanDerWaalsContact O-CA 3.23Å; F26-R77 WeakPolarHBondContact O-CA 3.31Å; Y28-R77 VanDerWaalsContact CD1-C 3.48Å; Y28-R77 VanDerWaalsContact CD1-N 3.34Å; R77-Y90 HydrophobicContact CB-CD1 4.37Å; R77-Y90 HydrophobicContact CB-CD2 4.2Å; R77-Y90 HydrophobicContact CB-CE1 3.98Å; R77-Y90 HydrophobicContact CB-CE2 3.82Å; R77-Y90 HydrophobicContact CB-CG 4.45Å; R77-Y90 HydrophobicContact CG-CE2 4.4Å; R77-Y90 PolarHBondContact N-O 3.02Å; R77-Y90 PolarHBondContact O-N 2.9Å
78	I	98.8	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.3	168.5	-73.6	171.2	0	0	0	107.4	I21 T25 F26 Y28 V43 H80 I87 E88 V89 L108	I21-I78 HydrophobicContact CD1-CG2 4.39Å; I21-I78 HydrophobicContact CG2-CD1 4Å; T25-I78 VanDerWaalsContact CA-O 3.32Å; T25-I78 WeakPolarHBondContact CA-O 3.36Å; F26-I78 HydrophobicContact CD2-CB 4.29Å; F26-I78 HydrophobicContact CE1-CG2 4.35Å; F26-I78 HydrophobicContact CE2-CB 3.69Å; F26-I78 HydrophobicContact CE2-CD1 4.38Å; F26-I78 HydrophobicContact CE2-CG2 3.85Å; F26-I78 HydrophobicContact CZ-CB 3.93Å; F26-I78 HydrophobicContact CZ-CG2 3.56Å; F26-I78 PolarHBondContact N-O 3.05Å; F26-I78 PolarHBondContact O-N 2.86Å; Y28-I78 HydrophobicContact CD1-CD1 4.01Å; Y28-I78 HydrophobicContact CD1-CG1 3.62Å; Y28-I78 HydrophobicContact CD2-CD1 4.04Å; Y28-I78 HydrophobicContact CE1-CG1 4.2Å; Y28-I78 HydrophobicContact CG-CD1 3.62Å; Y28-I78 HydrophobicContact CG-CG1 3.79Å; V43-I78 HydrophobicContact CG1-CD1 4.16Å; I78-H80 HydrophobicContact CG2-CB 4.06Å; I78-I87 HydrophobicContact CG2-CG2 4.03Å; I78-E88 CarbonylContact C-O 3.57Å; I78-E88 WeakPolarHBondContact CA-O 3.38Å; I78-V89 HydrophobicContact CG1-CG2 4.3Å; I78-L108 HydrophobicContact CD1-CD1 3.99Å; I78-L108 HydrophobicContact CD1-CD2 4.46Å
79	Y	98.5	Very high	98.4	Very high	63 Å²	63	53.5 Å²	53.5	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.6	157.6	166	-109.4	0	0	0	107.4	G24 T25 D81 K86 I87 E88	G24-Y79 CarbonylContact O-C 3.59Å; G24-Y79 WeakPolarHBondContact O-CA 3.43Å; T25-Y79 WeakPolarHBondContact OG1-CD2 3.37Å; Y79-D81 HydrophobicContact CE1-CB 4.09Å; Y79-D81 HydrophobicContact CE2-CB 4.35Å; Y79-D81 WeakPolarHBondContact OH-CB 3.46Å; Y79-D81 PolarHBondContact OH-OD2 3.16Å; Y79-K86 HydrophobicContact CE1-CD 4.47Å; Y79-I87 CarbonylContact O-C 3.59Å; Y79-I87 VanDerWaalsContact O-CA 3.25Å; Y79-I87 WeakPolarHBondContact O-CA 3.34Å; Y79-E88 HydrophobicContact CD1-CB 4.44Å; Y79-E88 HydrophobicContact CD1-CG 4.41Å; Y79-E88 PolarHBondContact N-O 3.17Å; Y79-E88 PolarHBondContact O-N 2.92Å
80	H	98.8	Very high	98.4	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.06	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.2	179.6	177.3	-159.1	0	0	0	109	I21 D22 E23 G24 F26 I78 I87 F112 Y115	I21-H80 HydrophobicContact CD1-CB 4.34Å; D22-H80 PolarHBondContact O-ND1 3.44Å; E23-H80 WeakPolarHBondContact CG-O 3.41Å; G24-H80 PolarHBondContact N-O 3.37Å; G24-H80 PolarHBondContact O-N 3.38Å; F26-H80 HydrophobicContact CE1-CB 4.1Å; F26-H80 HydrophobicContact CZ-CB 4.12Å; I78-H80 HydrophobicContact CG2-CB 4.06Å; H80-I87 HydrophobicContact CB-CG1 4.21Å; H80-I87 VanDerWaalsContact CD2-CG1 3.5Å; H80-I87 WeakPolarHBondContact CD2-CG1 3.15Å; H80-F112 AromaticContact CE1-CE1 3.94Å; H80-Y115 AromaticContact CD2-CE1 3.79Å; H80-Y115 AromaticContact NE2-CE1 3.37Å; H80-Y115 WeakPolarHBondContact NE2-CE1 3.21Å
81	D	98.6	Very high	98.4	Very high	33 Å²	33	48.9 Å²	48.9	18%	0.176	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.2	176	-173.4	-40.1	0	0	0	108.2	Y79 L83 Q84 K85 K86	Y79-D81 HydrophobicContact CE1-CB 4.09Å; Y79-D81 HydrophobicContact CE2-CB 4.35Å; Y79-D81 WeakPolarHBondContact OH-CB 3.46Å; Y79-D81 PolarHBondContact OH-OD2 3.16Å; D81-L83 WeakPolarHBondContact OD1-CB 3.43Å; D81-L83 PolarHBondContact OD1-N 2.95Å; D81-L83 VanDerWaalsContact OD1-N 3.09Å; D81-Q84 HydrophobicContact CB-CB 4.3Å; D81-Q84 PolarHBondContact OD1-N 3.28Å; D81-K85 WeakPolarHBondContact O-CA 3.44Å; D81-K85 PolarHBondContact O-N 3.18Å; D81-K86 PolarHBondContact N-O 2.91Å; D81-K86 PolarHBondContact O-N 3.05Å
82	S	97.9	Very high	98.3	Very high	49 Å²	49	47.8 Å²	47.8	34%	0.343	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.7	-176.3	71.5	0	0	0	0	112.1	E23 K85	E23-S82 VanDerWaalsContact CD-OG 3.23Å; E23-S82 VanDerWaalsContact OE1-CB 3.24Å; E23-S82 WeakPolarHBondContact OE1-CB 3.26Å; E23-S82 PolarHBondContact OE1-N 2.94Å; E23-S82 PolarHBondContact OE1-OG 3.12Å; E23-S82 PolarHBondContact OE2-OG 3.49Å; S82-K85 PolarHBondContact O-N 3.27Å
83	L	98	Very high	98.3	Very high	145 Å²	145	47 Å²	47	76%	0.759	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-43	178.4	-179.1	64	0	0	0	111.2	D81 K85	D81-L83 WeakPolarHBondContact OD1-CB 3.43Å; D81-L83 PolarHBondContact OD1-N 2.95Å; D81-L83 VanDerWaalsContact OD1-N 3.09Å; L83-K85 VanDerWaalsContact C-N 3.33Å
84	Q	98.3	Very high	98.2	Very high	130 Å²	130	52.5 Å²	52.5	61%	0.607	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	176.6	-61.1	-55.8	-58.7	0	0	113.5	D81 K86	D81-Q84 HydrophobicContact CB-CB 4.3Å; D81-Q84 PolarHBondContact OD1-N 3.28Å; Q84-K86 VanDerWaalsContact C-N 3.26Å; Q84-K86 HydrophobicContact CB-CB 4.19Å; Q84-K86 PolarHBondContact O-N 3.23Å
85	K	98.6	Very high	98.1	Very high	112 Å²	112	55.7 Å²	55.7	49%	0.487	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	49.6	-171.4	-61.2	-173.3	176.9	-176.7	0	111.9	D81 S82 L83 Y115 S116	D81-K85 WeakPolarHBondContact O-CA 3.44Å; D81-K85 PolarHBondContact O-N 3.18Å; S82-K85 PolarHBondContact O-N 3.27Å; L83-K85 VanDerWaalsContact C-N 3.33Å; K85-Y115 VanDerWaalsContact CA-CD1 3.47Å; K85-Y115 HydrophobicContact CB-CD1 4.01Å; K85-Y115 HydrophobicContact CB-CD2 3.8Å; K85-Y115 HydrophobicContact CB-CE1 4.18Å; K85-Y115 HydrophobicContact CB-CE2 3.97Å; K85-Y115 HydrophobicContact CB-CG 3.81Å; K85-Y115 HydrophobicContact CD-CD2 4.31Å; K85-Y115 HydrophobicContact CD-CE2 4.21Å; K85-Y115 HydrophobicContact CG-CD2 4.1Å; K85-Y115 HydrophobicContact CG-CE2 3.83Å; K85-Y115 CarbonylContact O-C 3.55Å; K85-Y115 WeakPolarHBondContact O-CA 3.23Å; K85-Y115 WeakPolarHBondContact O-CB 3.17Å; K85-S116 PolarHBondContact O-N 3.39Å
86	K	98.6	Very high	98.1	Very high	72 Å²	72	59.5 Å²	59.5	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.9	-174.3	-174.1	178.2	177.3	-167.7	0	110.9	Y79 D81 Q84 E88 S116	Y79-K86 HydrophobicContact CE1-CD 4.47Å; D81-K86 PolarHBondContact N-O 2.91Å; D81-K86 PolarHBondContact O-N 3.05Å; Q84-K86 VanDerWaalsContact C-N 3.26Å; Q84-K86 HydrophobicContact CB-CB 4.19Å; Q84-K86 PolarHBondContact O-N 3.23Å; K86-E88 WeakPolarHBondContact CE-OE1 3.14Å; K86-E88 IonicContact NZ-OE1 3.89Å; K86-E88 PolarHBondContact NZ-OE1 2.89Å; K86-E88 IonicContact NZ-OE2 3.53Å; K86-S116 WeakPolarHBondContact CA-O 3.02Å
87	I	98.8	Very high	98.1	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.2	172.9	-66.3	165.2	0	0	0	109.5	I21 I78 Y79 H80 L108 F112 Y115 S116 V117 S118	I21-I87 HydrophobicContact CD1-CD1 4.11Å; I78-I87 HydrophobicContact CG2-CG2 4.03Å; Y79-I87 CarbonylContact O-C 3.59Å; Y79-I87 VanDerWaalsContact O-CA 3.25Å; Y79-I87 WeakPolarHBondContact O-CA 3.34Å; H80-I87 HydrophobicContact CB-CG1 4.21Å; H80-I87 VanDerWaalsContact CD2-CG1 3.5Å; H80-I87 WeakPolarHBondContact CD2-CG1 3.15Å; I87-L108 HydrophobicContact CD1-CD2 4.31Å; I87-L108 HydrophobicContact CG2-CD1 3.97Å; I87-L108 HydrophobicContact CG2-CD2 4.45Å; I87-F112 HydrophobicContact CD1-CB 4.22Å; I87-F112 HydrophobicContact CD1-CD1 4.35Å; I87-F112 HydrophobicContact CD1-CD2 3.83Å; I87-F112 HydrophobicContact CD1-CE2 4.28Å; I87-F112 HydrophobicContact CD1-CG 3.88Å; I87-Y115 HydrophobicContact CD1-CD1 3.8Å; I87-Y115 HydrophobicContact CD1-CE1 4.32Å; I87-Y115 HydrophobicContact CG1-CD1 3.95Å; I87-Y115 HydrophobicContact CG1-CE1 4.47Å; I87-S116 PolarHBondContact N-O 3.49Å; I87-V117 HydrophobicContact CB-CB 4.48Å; I87-V117 HydrophobicContact CB-CG1 4.12Å; I87-V117 HydrophobicContact CB-CG2 4.22Å; I87-V117 HydrophobicContact CD1-CG2 4.38Å; I87-V117 HydrophobicContact CG2-CG1 4.06Å; I87-V117 WeakPolarHBondContact O-CA 3.47Å; I87-S118 PolarHBondContact O-N 3.39Å
88	E	98.5	Very high	98	Very high	26 Å²	26	58.4 Å²	58.4	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.7	174	-65.7	178.5	148.1	0	0	110.9	I78 Y79 K86 S118 R120	I78-E88 CarbonylContact C-O 3.57Å; I78-E88 WeakPolarHBondContact CA-O 3.38Å; Y79-E88 HydrophobicContact CD1-CB 4.44Å; Y79-E88 HydrophobicContact CD1-CG 4.41Å; Y79-E88 PolarHBondContact N-O 3.17Å; Y79-E88 PolarHBondContact O-N 2.92Å; K86-E88 WeakPolarHBondContact CE-OE1 3.14Å; K86-E88 IonicContact NZ-OE1 3.89Å; K86-E88 PolarHBondContact NZ-OE1 2.89Å; K86-E88 IonicContact NZ-OE2 3.53Å; E88-S118 CarbonylContact C-O 3.56Å; E88-S118 VanDerWaalsContact CA-O 3.31Å; E88-S118 WeakPolarHBondContact CA-O 3.36Å; E88-R120 HydrophobicContact CB-CB 4.33Å; E88-R120 IonicContact OE2-CZ 3.76Å; E88-R120 IonicContact OE2-NE 2.9Å; E88-R120 PolarHBondContact OE2-NE 3.48Å; E88-R120 IonicContact OE2-NH2 3.77Å; E88-R120 PolarHBondContact OE2-NH2 3.47Å
89	V	98.6	Very high	98	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130	179.8	-174.3	0	0	0	0	109.9	Y28 I78 H101 A104 V105 L108 S118 V119 R120	Y28-V89 HydrophobicContact CE1-CG1 3.65Å; Y28-V89 HydrophobicContact CE2-CG1 4.49Å; Y28-V89 WeakPolarHBondContact OH-CG1 3.45Å; I78-V89 HydrophobicContact CG1-CG2 4.3Å; V89-H101 HydrophobicContact CG1-CB 4.02Å; V89-A104 HydrophobicContact CG1-CB 4.12Å; V89-A104 HydrophobicContact CG2-CB 4.41Å; V89-V105 HydrophobicContact CB-CG2 4.23Å; V89-V105 HydrophobicContact CG2-CG2 3.87Å; V89-L108 HydrophobicContact CG2-CD1 3.6Å; V89-S118 PolarHBondContact N-O 3.47Å; V89-V119 CarbonylContact O-C 3.51Å; V89-V119 WeakPolarHBondContact O-CA 3.4Å; V89-R120 PolarHBondContact O-N 2.99Å
90	Y	98.1	Very high	98	Very high	29 Å²	29	60.2 Å²	60.2	11%	0.114	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	174.9	-174.6	63.3	-78.9	0	0	0	113.2	T25 G76 R77 H101 R120 D123	T25-Y90 WeakPolarHBondContact CG2-OH 3.34Å; G76-Y90 CarbonylContact C-O 3.51Å; G76-Y90 WeakPolarHBondContact CA-O 3.45Å; R77-Y90 HydrophobicContact CB-CD1 4.37Å; R77-Y90 HydrophobicContact CB-CD2 4.2Å; R77-Y90 HydrophobicContact CB-CE1 3.98Å; R77-Y90 HydrophobicContact CB-CE2 3.82Å; R77-Y90 HydrophobicContact CB-CG 4.45Å; R77-Y90 HydrophobicContact CG-CE2 4.4Å; R77-Y90 PolarHBondContact N-O 3.02Å; R77-Y90 PolarHBondContact O-N 2.9Å; Y90-H101 VanDerWaalsContact CA-CE1 3.44Å; Y90-H101 WeakPolarHBondContact CA-CE1 3.34Å; Y90-R120 HydrophobicContact CD1-CB 4.24Å; Y90-R120 VanDerWaalsContact CE1-CZ 3.47Å; Y90-R120 HydrophobicContact CG-CB 4.19Å; Y90-R120 PolarHBondContact OH-NH1 3.29Å; Y90-D123 WeakPolarHBondContact CA-OD2 3.47Å
91	G	97.3	Very high	97.9	Very high	14 Å²	14	60 Å²	60	14%	0.144	31%	0.307	C	S	.	.			trans	74.2	-162.6	176.8	0	0	0	0	0	114.4	H101 D123	G91-H101 PolarHBondContact O-CE1 3.46Å; G91-H101 PolarHBondContact O-NE2 2.92Å; G91-D123 PolarHBondContact N-OD1 2.92Å; G91-D123 PolarHBondContact N-OD2 2.62Å
92	Y	97.2	Very high	97.9	Very high	117 Å²	117	64.2 Å²	64.2	46%	0.459	33%	0.326	S	S	.	.			trans	-150.8	171.8	-179.5	68.5	-79.6	0	0	0	111.6	H52 G75 Q94	H52-Y92 PolarHBondContact CE1-O 2.91Å; G75-Y92 CarbonylContact O-C 3.52Å; G75-Y92 VanDerWaalsContact O-CA 3.3Å; G75-Y92 WeakPolarHBondContact O-CA 3.32Å; Y92-Q94 HydrophobicContact CE2-CG 4.14Å
93	S	97.6	Very high	97.9	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.014	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-98.9	133.2	166.3	-179.4	0	0	0	0	111.4	H52 G75 A95 Y96 G97	H52-S93 WeakPolarHBondContact CE1-CA 3.25Å; H52-S93 VanDerWaalsContact CG-OG 3.27Å; H52-S93 WeakPolarHBondContact ND1-CB 2.98Å; H52-S93 PolarHBondContact ND1-OG 2.73Å; G75-S93 PolarHBondContact O-N 3.28Å; S93-A95 VanDerWaalsContact C-N 3.32Å; S93-A95 PolarHBondContact O-N 3.35Å; S93-A95 PolarHBondContact OG-N 2.91Å; S93-Y96 WeakPolarHBondContact OG-CD2 3.33Å; S93-Y96 PolarHBondContact OG-N 3.48Å; S93-G97 WeakPolarHBondContact CB-O 3.41Å; S93-G97 PolarHBondContact N-O 3.35Å; S93-G97 CarbonylContact O-C 3.54Å; S93-G97 WeakPolarHBondContact O-CA 3.36Å; S93-G97 PolarHBondContact O-N 2.94Å
94	Q	96.6	Very high	98	Very high	177 Å²	177	57.3 Å²	57.3	83%	0.827	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.4	174.4	-67.4	-177.6	50.4	0	0	112	Y92	Y92-Q94 HydrophobicContact CE2-CG 4.14Å
95	A	97	Very high	98	Very high	68 Å²	68	52 Å²	52	56%	0.562	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-36.3	-178.2	0	0	0	0	0	112.8	S93	S93-A95 VanDerWaalsContact C-N 3.32Å; S93-A95 PolarHBondContact O-N 3.35Å; S93-A95 PolarHBondContact OG-N 2.91Å
96	Y	98	Very high	98	Very high	79 Å²	79	52.7 Å²	52.7	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-2.3	-171.7	-54.5	-62.4	0	0	0	114.7	H52 D53 L56 C72 G74 S93	H52-Y96 HydrophobicContact CB-CD2 3.88Å; H52-Y96 HydrophobicContact CB-CE2 3.97Å; D53-Y96 WeakPolarHBondContact OD1-CE2 3.21Å; D53-Y96 VanDerWaalsContact OD1-CZ 3.28Å; D53-Y96 PolarHBondContact OD1-OH 2.83Å; D53-Y96 PolarHBondContact OD2-OH 2.86Å; L56-Y96 HydrophobicContact CD1-CE1 4.09Å; L56-Y96 HydrophobicContact CD1-CE2 3.65Å; L56-Y96 WeakPolarHBondContact CD1-OH 3.38Å; C72-Y96 HydrophobicContact CB-CD1 3.89Å; C72-Y96 HydrophobicContact CB-CD2 4.43Å; C72-Y96 HydrophobicContact CB-CE1 4.12Å; C72-Y96 HydrophobicContact CB-CG 4.08Å; C72-Y96 VanDerWaalsContact SG-CD2 3.55Å; G74-Y96 WeakPolarHBondContact CA-O 3.28Å; S93-Y96 WeakPolarHBondContact OG-CD2 3.33Å; S93-Y96 PolarHBondContact OG-N 3.48Å
97	G	97.6	Very high	98	Very high	33 Å²	33	50.4 Å²	50.4	34%	0.34	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	73.1	-171.2	-172.6	0	0	0	0	0	113.1	G75 S93	G75-G97 PolarHBondContact N-O 3.19Å; S93-G97 WeakPolarHBondContact CB-O 3.41Å; S93-G97 PolarHBondContact N-O 3.35Å; S93-G97 CarbonylContact O-C 3.54Å; S93-G97 WeakPolarHBondContact O-CA 3.36Å; S93-G97 PolarHBondContact O-N 2.94Å
98	K	97.4	Very high	98	Very high	65 Å²	65	50.4 Å²	50.4	28%	0.283	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-78.3	130.8	177.9	-169.6	-176.7	-178.6	166.6	0	110.2	H101 D123 Y125	K98-H101 WeakPolarHBondContact CE-CE1 3.28Å; K98-H101 VanDerWaalsContact CE-ND1 3.34Å; K98-H101 WeakPolarHBondContact CE-ND1 3.24Å; K98-D123 IonicContact NZ-OD2 2.8Å; K98-Y125 HydrophobicContact CB-CE1 4.09Å; K98-Y125 HydrophobicContact CD-CE1 3.45Å; K98-Y125 VanDerWaalsContact CD-CE1 3.45Å; K98-Y125 HydrophobicContact CD-CE2 4.43Å; K98-Y125 WeakPolarHBondContact CD-OH 3.17Å; K98-Y125 HydrophobicContact CG-CE1 4.34Å; K98-Y125 PolarHBondContact NZ-OH 3.41Å
99	A	97.9	Very high	98	Very high	6 Å²	6	51.7 Å²	51.7	5%	0.05	27%	0.267	C	S	.	.			trans	-69.3	163.3	170.6	0	0	0	0	0	111.9	Y28 I30 G75 H101	Y28-A99 HydrophobicContact CE2-CB 4.28Å; I30-A99 HydrophobicContact CB-CB 4.49Å; I30-A99 HydrophobicContact CD1-CB 3.85Å; I30-A99 HydrophobicContact CG1-CB 3.91Å; G75-A99 PolarHBondContact O-N 2.94Å; G75-A99 VanDerWaalsContact O-N 3.13Å; A99-H101 PolarHBondContact O-CD2 3.39Å; A99-H101 PolarHBondContact O-N 3.02Å
100	D	97.8	Very high	98	Very high	94 Å²	94	57 Å²	57	50%	0.503	29%	0.292	S	S	.	.			trans	-67.7	96.8	162.7	-177.3	-12.1	0	0	0	109.3	I30 E102 L103 A104	I30-D100 VanDerWaalsContact CD1-O 3.26Å; I30-D100 WeakPolarHBondContact CD1-O 3.48Å; D100-E102 PolarHBondContact O-N 2.9Å; D100-E102 PolarHBondContact OD1-N 3.13Å; D100-L103 HydrophobicContact CB-CB 3.85Å; D100-L103 WeakPolarHBondContact O-CB 3.44Å; D100-L103 PolarHBondContact O-N 3.32Å; D100-L103 PolarHBondContact OD1-N 3.06Å; D100-A104 PolarHBondContact O-N 2.95Å; D100-A104 VanDerWaalsContact O-N 3.07Å
101	H	97.9	Very high	97.9	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-29.9	-178.1	-71.5	-171	0	0	0	112.3	Y28 V89 Y90 G91 K98 A99 A104 V105 V119 D123	Y28-H101 PolarHBondContact OH-CD2 3.41Å; Y28-H101 PolarHBondContact OH-NE2 3.39Å; V89-H101 HydrophobicContact CG1-CB 4.02Å; Y90-H101 VanDerWaalsContact CA-CE1 3.44Å; Y90-H101 WeakPolarHBondContact CA-CE1 3.34Å; G91-H101 PolarHBondContact O-CE1 3.46Å; G91-H101 PolarHBondContact O-NE2 2.92Å; K98-H101 WeakPolarHBondContact CE-CE1 3.28Å; K98-H101 VanDerWaalsContact CE-ND1 3.34Å; K98-H101 WeakPolarHBondContact CE-ND1 3.24Å; A99-H101 PolarHBondContact O-CD2 3.39Å; A99-H101 PolarHBondContact O-N 3.02Å; H101-A104 PolarHBondContact O-N 3.01Å; H101-V105 WeakPolarHBondContact O-CB 3Å; H101-V105 VanDerWaalsContact O-CG2 3.29Å; H101-V105 WeakPolarHBondContact O-CG2 3.27Å; H101-V105 PolarHBondContact O-N 3.34Å; H101-V119 HydrophobicContact CB-CG1 4.17Å; H101-V119 HydrophobicContact CB-CG2 3.78Å; H101-D123 IonicContact CE1-OD2 3.21Å; H101-D123 IonicContact ND1-OD2 2.72Å
102	E	98.1	Very high	98	Very high	123 Å²	123	59.8 Å²	59.8	58%	0.575	31%	0.307	S	S	*	.	H	α-helix	trans	-70.9	-37.3	177.4	-61.3	-61.3	166.9	0	0	110.7	D100 V105 K106 V119	D100-E102 PolarHBondContact O-N 2.9Å; D100-E102 PolarHBondContact OD1-N 3.13Å; E102-V105 PolarHBondContact O-N 3.02Å; E102-K106 WeakPolarHBondContact O-CB 3.42Å; E102-K106 PolarHBondContact O-N 3.43Å; E102-V119 WeakPolarHBondContact OE1-CG2 3.45Å
103	L	98.5	Very high	98	Very high	49 Å²	49	59.2 Å²	59.2	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-41.7	171.2	179	61	0	0	0	112	I30 D100 K106 K107	I30-L103 HydrophobicContact CD1-CB 4.33Å; I30-L103 HydrophobicContact CD1-CD2 4.28Å; I30-L103 HydrophobicContact CD1-CG 4.34Å; I30-L103 HydrophobicContact CG2-CD2 4.37Å; D100-L103 HydrophobicContact CB-CB 3.85Å; D100-L103 WeakPolarHBondContact O-CB 3.44Å; D100-L103 PolarHBondContact O-N 3.32Å; D100-L103 PolarHBondContact OD1-N 3.06Å; L103-K106 PolarHBondContact O-N 3.14Å; L103-K107 HydrophobicContact CD1-CD 4.47Å; L103-K107 PolarHBondContact O-N 3.41Å; L103-K107 VanDerWaalsContact O-N 3.13Å
104	A	98.7	Very high	98	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-50.6	174.2	0	0	0	0	0	111	Y28 I30 V89 D100 H101 K106 K107 L108	Y28-A104 HydrophobicContact CE2-CB 3.88Å; I30-A104 HydrophobicContact CD1-CB 4.02Å; V89-A104 HydrophobicContact CG1-CB 4.12Å; V89-A104 HydrophobicContact CG2-CB 4.41Å; D100-A104 PolarHBondContact O-N 2.95Å; D100-A104 VanDerWaalsContact O-N 3.07Å; H101-A104 PolarHBondContact O-N 3.01Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.47Å; A104-K107 PolarHBondContact O-N 3.27Å; A104-L108 HydrophobicContact CB-CD1 4.39Å; A104-L108 WeakPolarHBondContact O-CB 3.47Å; A104-L108 WeakPolarHBondContact O-CD1 3.19Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.09Å; A104-L108 PolarHBondContact O-N 3.35Å
105	V	98.6	Very high	98.1	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-54.7	-49.2	177.2	165.4	0	0	0	0	110.6	V89 H101 E102 K107 L108 S109 V117 V119	V89-V105 HydrophobicContact CB-CG2 4.23Å; V89-V105 HydrophobicContact CG2-CG2 3.87Å; H101-V105 WeakPolarHBondContact O-CB 3Å; H101-V105 VanDerWaalsContact O-CG2 3.29Å; H101-V105 WeakPolarHBondContact O-CG2 3.27Å; H101-V105 PolarHBondContact O-N 3.34Å; E102-V105 PolarHBondContact O-N 3.02Å; V105-K107 PolarHBondContact O-N 2.93Å; V105-L108 PolarHBondContact O-N 2.89Å; V105-S109 WeakPolarHBondContact O-CB 3.11Å; V105-S109 PolarHBondContact O-N 3.23Å; V105-S109 PolarHBondContact O-OG 3.39Å; V105-V117 HydrophobicContact CB-CG1 4.31Å; V105-V117 HydrophobicContact CG1-CB 4.49Å; V105-V117 HydrophobicContact CG1-CG1 4.02Å; V105-V117 HydrophobicContact CG2-CG1 4.3Å; V105-V119 HydrophobicContact CG2-CG2 3.81Å
106	K	98.6	Very high	98.2	Very high	127 Å²	127	57 Å²	57	55%	0.552	32%	0.321	S	S	*	.	H	α-helix	trans	-54.4	-50.4	178.1	-178.1	-176.1	175.6	-176.6	0	112.1	E102 L103 A104 S109 E110	E102-K106 WeakPolarHBondContact O-CB 3.42Å; E102-K106 PolarHBondContact O-N 3.43Å; L103-K106 PolarHBondContact O-N 3.14Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.47Å; K106-S109 PolarHBondContact O-N 3.01Å; K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact O-CG 3.26Å; K106-E110 PolarHBondContact O-N 3.02Å
107	K	98.7	Very high	98.2	Very high	24 Å²	24	54.2 Å²	54.2	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-40.1	-179.3	-74.9	-176.3	169.3	-75.3	0	112.6	V19 S41 V43 L103 A104 V105 E110 C111	V19-K107 HydrophobicContact CG2-CB 3.9Å; S41-K107 WeakPolarHBondContact O-CE 3.3Å; S41-K107 PolarHBondContact O-NZ 2.74Å; V43-K107 HydrophobicContact CG2-CB 4.09Å; V43-K107 HydrophobicContact CG2-CD 4.04Å; L103-K107 HydrophobicContact CD1-CD 4.47Å; L103-K107 PolarHBondContact O-N 3.41Å; L103-K107 VanDerWaalsContact O-N 3.13Å; A104-K107 PolarHBondContact O-N 3.27Å; V105-K107 PolarHBondContact O-N 2.93Å; K107-E110 PolarHBondContact O-N 2.86Å; K107-C111 PolarHBondContact O-N 3.39Å; K107-C111 VanDerWaalsContact O-N 3.1Å
108	L	98.8	Very high	98.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-44.2	175.6	-72.9	159.6	0	0	0	110.5	V19 I21 I78 I87 V89 A104 V105 E110 C111 F112 V117	V19-L108 HydrophobicContact CG1-CD2 3.66Å; I21-L108 HydrophobicContact CD1-CD2 3.58Å; I21-L108 HydrophobicContact CG1-CD2 4.34Å; I21-L108 HydrophobicContact CG2-CD2 4.43Å; I78-L108 HydrophobicContact CD1-CD1 3.99Å; I78-L108 HydrophobicContact CD1-CD2 4.46Å; I87-L108 HydrophobicContact CD1-CD2 4.31Å; I87-L108 HydrophobicContact CG2-CD1 3.97Å; I87-L108 HydrophobicContact CG2-CD2 4.45Å; V89-L108 HydrophobicContact CG2-CD1 3.6Å; A104-L108 HydrophobicContact CB-CD1 4.39Å; A104-L108 WeakPolarHBondContact O-CB 3.47Å; A104-L108 WeakPolarHBondContact O-CD1 3.19Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.09Å; A104-L108 PolarHBondContact O-N 3.35Å; V105-L108 PolarHBondContact O-N 2.89Å; L108-E110 VanDerWaalsContact C-N 3.32Å; L108-E110 PolarHBondContact O-N 3.21Å; L108-C111 PolarHBondContact O-N 2.69Å; L108-F112 HydrophobicContact CD2-CD2 4.26Å; L108-F112 HydrophobicContact CD2-CE2 4.07Å; L108-F112 WeakPolarHBondContact O-CB 3.37Å; L108-F112 WeakPolarHBondContact O-CD2 3.47Å; L108-F112 PolarHBondContact O-N 3.43Å; L108-V117 HydrophobicContact CB-CG1 3.63Å; L108-V117 HydrophobicContact CD1-CG1 4.41Å
109	S	98.5	Very high	98.3	Very high	54 Å²	54	53.3 Å²	53.3	38%	0.378	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-37.6	175.7	-62	0	0	0	0	113.2	V105 K106 V117	V105-S109 WeakPolarHBondContact O-CB 3.11Å; V105-S109 PolarHBondContact O-N 3.23Å; V105-S109 PolarHBondContact O-OG 3.39Å; K106-S109 PolarHBondContact O-N 3.01Å; S109-V117 WeakPolarHBondContact OG-CB 3.47Å
110	E	98.3	Very high	98.2	Very high	110 Å²	110	56.7 Å²	56.7	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-37.4	175.4	-71.7	167.8	-178.1	0	0	112.1	K106 K107 L108	K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact O-CG 3.26Å; K106-E110 PolarHBondContact O-N 3.02Å; K107-E110 PolarHBondContact O-N 2.86Å; L108-E110 VanDerWaalsContact C-N 3.32Å; L108-E110 PolarHBondContact O-N 3.21Å
111	C	98.1	Very high	97.8	Very high	57 Å²	57	61.3 Å²	61.3	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-87.1	-21.8	-178.2	-73.1	0	0	0	0	114.6	V19 K107 L108 P113	V19-C111 HydrophobicContact CB-CB 4.04Å; V19-C111 HydrophobicContact CG2-CB 4.04Å; K107-C111 PolarHBondContact O-N 3.39Å; K107-C111 VanDerWaalsContact O-N 3.1Å; L108-C111 PolarHBondContact O-N 2.69Å; C111-P113 VanDerWaalsContact C-CD 3.42Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å
112	F	98.2	Very high	96.9	Very high	45 Å²	45	63.6 Å²	63.6	20%	0.197	36%	0.363	C	S	.	.	S	Bend	trans	-121.4	70.6	-179.3	-65	-88.8	0	0	0	111.7	V19 I21 H80 I87 L108 G114 Y115	V19-F112 HydrophobicContact CG1-CE2 3.95Å; I21-F112 HydrophobicContact CD1-CE2 3.82Å; I21-F112 HydrophobicContact CD1-CZ 3.89Å; I21-F112 HydrophobicContact CG1-CE2 3.88Å; I21-F112 HydrophobicContact CG1-CZ 3.7Å; H80-F112 AromaticContact CE1-CE1 3.94Å; I87-F112 HydrophobicContact CD1-CB 4.22Å; I87-F112 HydrophobicContact CD1-CD1 4.35Å; I87-F112 HydrophobicContact CD1-CD2 3.83Å; I87-F112 HydrophobicContact CD1-CE2 4.28Å; I87-F112 HydrophobicContact CD1-CG 3.88Å; L108-F112 HydrophobicContact CD2-CD2 4.26Å; L108-F112 HydrophobicContact CD2-CE2 4.07Å; L108-F112 WeakPolarHBondContact O-CB 3.37Å; L108-F112 WeakPolarHBondContact O-CD2 3.47Å; L108-F112 PolarHBondContact O-N 3.43Å; F112-G114 PolarHBondContact O-N 3.01Å; F112-Y115 HydrophobicContact CB-CD1 4.25Å; F112-Y115 HydrophobicContact CB-CD2 3.8Å; F112-Y115 HydrophobicContact CB-CE2 4.33Å; F112-Y115 HydrophobicContact CB-CG 3.76Å; F112-Y115 HydrophobicContact CD1-CD2 4.5Å; F112-Y115 HydrophobicContact CD1-CE1 4.23Å; F112-Y115 HydrophobicContact CD1-CE2 4.21Å; F112-Y115 WeakPolarHBondContact O-CB 3.37Å; F112-Y115 PolarHBondContact O-N 2.9Å; F112-Y115 VanDerWaalsContact O-N 3.15Å
113	P	97.6	Very high	95.4	Very high	105 Å²	105	59.8 Å²	59.8	68%	0.682	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	134.1	178.1	-24.3	33.8	0	0	0	112.4	C111 Y115	C111-P113 VanDerWaalsContact C-CD 3.42Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-Y115 VanDerWaalsContact C-N 3.29Å; P113-Y115 PolarHBondContact O-N 2.8Å
114	G	97.8	Very high	93.3	Very high	71 Å²	71	65.4 Å²	65.4	73%	0.732	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	4.6	-180	0	0	0	0	0	114.9	F112	F112-G114 PolarHBondContact O-N 3.01Å
115	Y	98.6	Very high	91	Very high	55 Å²	55	75.7 Å²	75.7	22%	0.216	41%	0.412	C	S	.	.			trans	-84.1	147.1	167.9	-79.4	-126	0	0	0	111.2	H80 K85 I87 F112 P113 V117	H80-Y115 AromaticContact CD2-CE1 3.79Å; H80-Y115 AromaticContact NE2-CE1 3.37Å; H80-Y115 WeakPolarHBondContact NE2-CE1 3.21Å; K85-Y115 VanDerWaalsContact CA-CD1 3.47Å; K85-Y115 HydrophobicContact CB-CD1 4.01Å; K85-Y115 HydrophobicContact CB-CD2 3.8Å; K85-Y115 HydrophobicContact CB-CE1 4.18Å; K85-Y115 HydrophobicContact CB-CE2 3.97Å; K85-Y115 HydrophobicContact CB-CG 3.81Å; K85-Y115 HydrophobicContact CD-CD2 4.31Å; K85-Y115 HydrophobicContact CD-CE2 4.21Å; K85-Y115 HydrophobicContact CG-CD2 4.1Å; K85-Y115 HydrophobicContact CG-CE2 3.83Å; K85-Y115 CarbonylContact O-C 3.55Å; K85-Y115 WeakPolarHBondContact O-CA 3.23Å; K85-Y115 WeakPolarHBondContact O-CB 3.17Å; I87-Y115 HydrophobicContact CD1-CD1 3.8Å; I87-Y115 HydrophobicContact CD1-CE1 4.32Å; I87-Y115 HydrophobicContact CG1-CD1 3.95Å; I87-Y115 HydrophobicContact CG1-CE1 4.47Å; F112-Y115 HydrophobicContact CB-CD1 4.25Å; F112-Y115 HydrophobicContact CB-CD2 3.8Å; F112-Y115 HydrophobicContact CB-CE2 4.33Å; F112-Y115 HydrophobicContact CB-CG 3.76Å; F112-Y115 HydrophobicContact CD1-CD2 4.5Å; F112-Y115 HydrophobicContact CD1-CE1 4.23Å; F112-Y115 HydrophobicContact CD1-CE2 4.21Å; F112-Y115 WeakPolarHBondContact O-CB 3.37Å; F112-Y115 PolarHBondContact O-N 2.9Å; F112-Y115 VanDerWaalsContact O-N 3.15Å; P113-Y115 VanDerWaalsContact C-N 3.29Å; P113-Y115 PolarHBondContact O-N 2.8Å; Y115-V117 PolarHBondContact O-N 3.05Å
116	S	98.5	Very high	90.6	Very high	76 Å²	76	78.7 Å²	78.7	53%	0.531	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	106.9	162	-176.4	0	0	0	0	108.5	K85 K86 I87	K85-S116 PolarHBondContact O-N 3.39Å; K86-S116 WeakPolarHBondContact CA-O 3.02Å; I87-S116 PolarHBondContact N-O 3.49Å
117	V	98.7	Very high	90.2	Very high	20 Å²	20	76.1 Å²	76.1	12%	0.121	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.5	-178.4	-171	0	0	0	0	108.6	I87 V105 L108 S109 Y115	I87-V117 HydrophobicContact CB-CB 4.48Å; I87-V117 HydrophobicContact CB-CG1 4.12Å; I87-V117 HydrophobicContact CB-CG2 4.22Å; I87-V117 HydrophobicContact CD1-CG2 4.38Å; I87-V117 HydrophobicContact CG2-CG1 4.06Å; I87-V117 WeakPolarHBondContact O-CA 3.47Å; V105-V117 HydrophobicContact CB-CG1 4.31Å; V105-V117 HydrophobicContact CG1-CB 4.49Å; V105-V117 HydrophobicContact CG1-CG1 4.02Å; V105-V117 HydrophobicContact CG2-CG1 4.3Å; L108-V117 HydrophobicContact CB-CG1 3.63Å; L108-V117 HydrophobicContact CD1-CG1 4.41Å; S109-V117 WeakPolarHBondContact OG-CB 3.47Å; Y115-V117 PolarHBondContact O-N 3.05Å
118	S	98.3	Very high	89.7	Confident	41 Å²	41	79 Å²	79	29%	0.287	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.1	-176.6	57.7	0	0	0	0	113	I87 E88 V89	I87-S118 PolarHBondContact O-N 3.39Å; E88-S118 CarbonylContact C-O 3.56Å; E88-S118 VanDerWaalsContact CA-O 3.31Å; E88-S118 WeakPolarHBondContact CA-O 3.36Å; V89-S118 PolarHBondContact N-O 3.47Å
119	V	98.1	Very high	89.2	Confident	38 Å²	38	83.6 Å²	83.6	23%	0.23	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.3	160.8	-172.9	0	0	0	0	107.8	V89 H101 E102 V105 Q121	V89-V119 CarbonylContact O-C 3.51Å; V89-V119 WeakPolarHBondContact O-CA 3.4Å; H101-V119 HydrophobicContact CB-CG1 4.17Å; H101-V119 HydrophobicContact CB-CG2 3.78Å; E102-V119 WeakPolarHBondContact OE1-CG2 3.45Å; V105-V119 HydrophobicContact CG2-CG2 3.81Å; V119-Q121 PolarHBondContact O-N 3.27Å
120	R	97	Very high	88.6	Confident	77 Å²	77	85.5 Å²	85.5	29%	0.291	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63.7	128.5	-179.7	-169.9	175.7	-83.5	176.4	-4	109.9	E88 V89 Y90 D123	E88-R120 HydrophobicContact CB-CB 4.33Å; E88-R120 IonicContact OE2-CZ 3.76Å; E88-R120 IonicContact OE2-NE 2.9Å; E88-R120 PolarHBondContact OE2-NE 3.48Å; E88-R120 IonicContact OE2-NH2 3.77Å; E88-R120 PolarHBondContact OE2-NH2 3.47Å; V89-R120 PolarHBondContact O-N 2.99Å; Y90-R120 HydrophobicContact CD1-CB 4.24Å; Y90-R120 VanDerWaalsContact CE1-CZ 3.47Å; Y90-R120 HydrophobicContact CG-CB 4.19Å; Y90-R120 PolarHBondContact OH-NH1 3.29Å; R120-D123 WeakPolarHBondContact O-CB 2.98Å; R120-D123 PolarHBondContact O-N 3.36Å
121	Q	87.7	Confident	88	Confident	191 Å²	191	83.9 Å²	83.9	89%	0.893	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	142.8	175.3	-68.9	-177.3	49.5	0	0	111.1	V119 D123	V119-Q121 PolarHBondContact O-N 3.27Å; Q121-D123 VanDerWaalsContact C-N 3.28Å; Q121-D123 PolarHBondContact O-N 3.42Å
122	G	79.4	Confident	87.3	Confident	56 Å²	56	85.8 Å²	85.8	58%	0.577	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	15	179.6	0	0	0	0	0	114.2	H124	G122-H124 PolarHBondContact O-CD2 3.12Å; G122-H124 PolarHBondContact O-N 2.78Å
123	D	67.3	Low	86.4	Confident	43 Å²	43	88.9 Å²	88.9	23%	0.23	49%	0.493	C	S	.	.			trans	-67.3	66.8	164.1	-165.7	44.2	0	0	0	109.4	Y90 G91 K98 H101 R120 Q121	Y90-D123 WeakPolarHBondContact CA-OD2 3.47Å; G91-D123 PolarHBondContact N-OD1 2.92Å; G91-D123 PolarHBondContact N-OD2 2.62Å; K98-D123 IonicContact NZ-OD2 2.8Å; H101-D123 IonicContact CE1-OD2 3.21Å; H101-D123 IonicContact ND1-OD2 2.72Å; R120-D123 WeakPolarHBondContact O-CB 2.98Å; R120-D123 PolarHBondContact O-N 3.36Å; Q121-D123 VanDerWaalsContact C-N 3.28Å; Q121-D123 PolarHBondContact O-N 3.42Å
124	H	53.3	Low	85.5	Confident	166 Å²	166	87.6 Å²	87.6	77%	0.769	48%	0.477	S	S	*	.			trans	-78.8	122.9	166.9	-62.3	-74.3	0	0	0	106.7	G122	G122-H124 PolarHBondContact O-CD2 3.12Å; G122-H124 PolarHBondContact O-N 2.78Å
125	Y	51.2	Low	84.4	Confident	217 Å²	217	89.1 Å²	89.1	85%	0.851	45%	0.454	S	S	*	.			trans	-47.6	0	178.1	-67.5	-96.4	0	0	0	113.2	K98	K98-Y125 HydrophobicContact CB-CE1 4.09Å; K98-Y125 HydrophobicContact CD-CE1 3.45Å; K98-Y125 VanDerWaalsContact CD-CE1 3.45Å; K98-Y125 HydrophobicContact CD-CE2 4.43Å; K98-Y125 WeakPolarHBondContact CD-OH 3.17Å; K98-Y125 HydrophobicContact CG-CE1 4.34Å; K98-Y125 PolarHBondContact NZ-OH 3.41Å

Retrieved 125 of 125 residues in 600.4 ms (Link to these results)

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