A0A077ZFW1_TRITR Loading...

Mcm10 and zf-primase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 aa.

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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	65.1	Low	63	Low	125 Å²	125	81.2 Å²	81.2	62%	0.616	38%	0.383	S	S	*	.				0	132.5	0	-164	160.2	87.6	0	0	108.5	I3 E31 G33	M1-I3 HydrophobicContact CE-CD1 3.34Å; M1-I3 HydrophobicContact CE-CG1 3.68Å; M1-I3 HydrophobicContact CG-CG1 4.04Å; M1-E31 HydrophobicContact CE-CG 4.27Å; M1-E31 HydrophobicContact SD-CG 4.48Å; M1-G33 CarbonylContact C-O 3.51Å; M1-G33 VanDerWaalsContact CA-O 3.28Å; M1-G33 WeakPolarHBondContact CA-O 3.42Å
2	L	66.2	Low	62.3	Low	45 Å²	45	83.5 Å²	83.5	24%	0.236	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.8	168	-84.9	144.5	0	0	0	107.3	L32 G33 C35 I84	L2-L32 HydrophobicContact CB-CB 3.87Å; L2-L32 PolarHBondContact O-N 3.27Å; L2-G33 PolarHBondContact N-O 2.81Å; L2-C35 HydrophobicContact CD1-CB 3.59Å; L2-C35 HydrophobicContact CG-CB 3.88Å; L2-I84 HydrophobicContact CD2-CD1 4.01Å
3	I	67.9	Low	60.9	Low	45 Å²	45	81.2 Å²	81.2	23%	0.231	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.3	-178.6	-53.6	174.9	0	0	0	107	M1 F5 V29 L30	M1-I3 HydrophobicContact CE-CD1 3.34Å; M1-I3 HydrophobicContact CE-CG1 3.68Å; M1-I3 HydrophobicContact CG-CG1 4.04Å; I3-F5 HydrophobicContact CB-CE2 4.34Å; I3-F5 HydrophobicContact CB-CZ 4.22Å; I3-F5 HydrophobicContact CG2-CD1 4.21Å; I3-F5 HydrophobicContact CG2-CE1 3.76Å; I3-F5 HydrophobicContact CG2-CE2 4.11Å; I3-F5 HydrophobicContact CG2-CZ 3.71Å; I3-V29 HydrophobicContact CG2-CG1 3.27Å; I3-L30 CarbonylContact C-O 3.57Å; I3-L30 WeakPolarHBondContact CA-O 3.43Å
4	L	62.5	Low	60.1	Low	40 Å²	40	87.7 Å²	87.7	21%	0.209	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.3	166.2	-81.5	170.9	0	0	0	109.2	F6 V29 L30 L32 V82	L4-F6 HydrophobicContact CB-CE2 4.17Å; L4-F6 HydrophobicContact CB-CZ 4.35Å; L4-F6 HydrophobicContact CD1-CZ 4.44Å; L4-V29 WeakPolarHBondContact O-CA 3.45Å; L4-L30 HydrophobicContact CB-CB 4.17Å; L4-L30 HydrophobicContact CD1-CD2 4.25Å; L4-L30 PolarHBondContact N-O 2.99Å; L4-L30 PolarHBondContact O-N 3.04Å; L4-L32 HydrophobicContact CD1-CD1 3.57Å; L4-L32 HydrophobicContact CD1-CD2 3.83Å; L4-L32 HydrophobicContact CD1-CG 3.86Å; L4-L32 HydrophobicContact CG-CD1 3.62Å; L4-L32 HydrophobicContact CG-CG 4.04Å; L4-V82 HydrophobicContact CD2-CB 4.31Å; L4-V82 HydrophobicContact CD2-CG1 3.9Å; L4-V82 HydrophobicContact CD2-CG2 3.59Å
5	F	66.8	Low	59.8	Low	46 Å²	46	93.1 Å²	93.1	20%	0.202	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.6	177.1	-63.1	-72.3	0	0	0	109.1	I3 I8 L23 N28 V29 V83	I3-F5 HydrophobicContact CB-CE2 4.34Å; I3-F5 HydrophobicContact CB-CZ 4.22Å; I3-F5 HydrophobicContact CG2-CD1 4.21Å; I3-F5 HydrophobicContact CG2-CE1 3.76Å; I3-F5 HydrophobicContact CG2-CE2 4.11Å; I3-F5 HydrophobicContact CG2-CZ 3.71Å; F5-I8 HydrophobicContact CB-CD1 3.31Å; F5-I8 HydrophobicContact CB-CG1 3.77Å; F5-I8 HydrophobicContact CG-CD1 4.26Å; F5-L23 HydrophobicContact CB-CD2 4.4Å; F5-L23 HydrophobicContact CD1-CD1 3.33Å; F5-L23 HydrophobicContact CD1-CD2 3.94Å; F5-L23 HydrophobicContact CD1-CG 4.23Å; F5-L23 HydrophobicContact CE1-CD1 3.38Å; F5-L23 HydrophobicContact CG-CD1 4.41Å; F5-L23 HydrophobicContact CZ-CD1 4.49Å; F5-N28 CarbonylContact C-O 3.44Å; F5-N28 VanDerWaalsContact CA-O 3.3Å; F5-N28 WeakPolarHBondContact CA-O 3.1Å; F5-V29 HydrophobicContact CD1-CG1 4.28Å; F5-V29 HydrophobicContact CD1-CG2 4.02Å; F5-V29 HydrophobicContact CE1-CG1 4.02Å; F5-V29 HydrophobicContact CE1-CG2 4.14Å; F5-V83 HydrophobicContact CD2-CB 3.87Å; F5-V83 HydrophobicContact CD2-CG2 3.71Å; F5-V83 HydrophobicContact CE2-CB 3.88Å; F5-V83 HydrophobicContact CE2-CG1 4.44Å; F5-V83 HydrophobicContact CE2-CG2 4.03Å
6	F	66.3	Low	59	Low	96 Å²	96	94.4 Å²	94.4	42%	0.421	48%	0.478	S	S	.	.			trans	-108.9	159	176.6	-60.3	-82.1	0	0	0	110.4	L4 I8 N28 L30	L4-F6 HydrophobicContact CB-CE2 4.17Å; L4-F6 HydrophobicContact CB-CZ 4.35Å; L4-F6 HydrophobicContact CD1-CZ 4.44Å; F6-I8 VanDerWaalsContact C-N 3.27Å; F6-I8 PolarHBondContact O-N 2.8Å; F6-N28 HydrophobicContact CB-CB 4.43Å; F6-N28 PolarHBondContact N-O 3.08Å; F6-N28 VanDerWaalsContact O-CB 3.32Å; F6-N28 WeakPolarHBondContact O-CB 3.43Å; F6-L30 HydrophobicContact CD2-CB 4.49Å; F6-L30 HydrophobicContact CE2-CB 3.69Å; F6-L30 HydrophobicContact CE2-CD2 4.07Å; F6-L30 HydrophobicContact CZ-CD2 4.24Å
7	N	63.9	Low	58.8	Low	137 Å²	137	101.1 Å²	101.1	73%	0.733	50%	0.503	S	S	*	.	S	Bend	trans	47.7	42.4	170.7	-60	-42.1	0	0	0	115.4	N28	N7-N28 PolarHBondContact ND2-OD1 3.27Å; N7-N28 VanDerWaalsContact ND2-OD1 3.14Å
8	I	63.6	Low	58.6	Low	28 Å²	28	100.7 Å²	100.7	14%	0.144	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-79	129.3	-173.4	-45.4	173.5	0	0	0	110.3	F5 F6 L21 L23	F5-I8 HydrophobicContact CB-CD1 3.31Å; F5-I8 HydrophobicContact CB-CG1 3.77Å; F5-I8 HydrophobicContact CG-CD1 4.26Å; F6-I8 VanDerWaalsContact C-N 3.27Å; F6-I8 PolarHBondContact O-N 2.8Å; I8-L21 HydrophobicContact CD1-CD1 4.18Å; I8-L21 HydrophobicContact CG2-CB 3.74Å; I8-L21 HydrophobicContact CG2-CD1 4.3Å; I8-L21 HydrophobicContact CG2-CD2 3.74Å; I8-L21 HydrophobicContact CG2-CG 4.1Å; I8-L23 HydrophobicContact CG1-CD2 4.26Å
9	K	60.1	Low	58.7	Low	133 Å²	133	101.4 Å²	101.4	58%	0.578	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.6	167.9	-70.6	176.7	-172.9	156.5	0	110	D24	K9-D24 IonicContact NZ-OD2 2.71Å; K9-D24 PolarHBondContact NZ-OD2 3.29Å
10	W	57.5	Low	58.6	Low	168 Å²	168	99.3 Å²	99.3	64%	0.636	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.6	174	-91.6	76.5	0	0	0	111	N19	W10-N19 HydrophobicContact CH2-CB 4.07Å; W10-N19 VanDerWaalsContact CH2-ND2 3.33Å; W10-N19 WeakPolarHBondContact CH2-ND2 3.2Å; W10-N19 HydrophobicContact CZ3-CB 3.95Å
11	S	53.5	Low	58.9	Low	30 Å²	30	97.5 Å²	97.5	21%	0.21	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.9	165.1	67.3	0	0	0	0	109.4	C13 T20	S11-C13 PolarHBondContact O-N 2.98Å; S11-T20 PolarHBondContact N-O 3.44Å; S11-T20 PolarHBondContact OG-O 2.85Å
12	S	54	Low	58.9	Low	109 Å²	109	97.8 Å²	97.8	76%	0.762	49%	0.493	S	S	*	.			trans	-78.3	112.2	171.8	52.2	0	0	0	0	109
13	C	43.8	Very low	58.9	Low	53 Å²	53	98.8 Å²	98.8	36%	0.358	50%	0.499	S	S	.	.			trans	-86.2	113.3	163.4	-174.3	0	0	0	0	108	S11 Q15	S11-C13 PolarHBondContact O-N 2.98Å; C13-Q15 PolarHBondContact O-N 2.87Å
14	L	50.6	Low	59.1	Low	173 Å²	173	101.8 Å²	101.8	91%	0.906	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.4	-177.7	-87	142.3	0	0	0	114.2
15	Q	55.8	Low	59.7	Low	168 Å²	168	103.2 Å²	103.2	79%	0.785	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-13.3	-170	-75.9	166.8	-26.6	0	0	114.6	C13	C13-Q15 PolarHBondContact O-N 2.87Å
16	N	46.7	Very low	60	Low	115 Å²	115	105.2 Å²	105.2	62%	0.615	55%	0.55	S	S	*	*	S	Bend	trans	-143.4	142.2	176.2	-79.8	-52.4	0	0	0	109.1	V18	N16-V18 HydrophobicContact CB-CB 4.18Å; N16-V18 HydrophobicContact CB-CG2 4.05Å; N16-V18 PolarHBondContact O-N 3.3Å
17	K	56.3	Low	60.4	Low	208 Å²	208	109 Å²	109	90%	0.904	57%	0.569	S	S	*	*	S	Bend	trans	-67.1	30.7	171.4	-69.4	-177.7	177.9	178.1	0	112.9
18	V	54.1	Low	60.5	Low	94 Å²	94	103.6 Å²	103.6	57%	0.57	54%	0.54	S	S	*	.	S	Bend	trans	-109.8	114.3	-177.7	-179.2	0	0	0	0	106.7	N16 T20	N16-V18 HydrophobicContact CB-CB 4.18Å; N16-V18 HydrophobicContact CB-CG2 4.05Å; N16-V18 PolarHBondContact O-N 3.3Å; V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 2.94Å
19	N	60.8	Low	60.7	Low	113 Å²	113	104.6 Å²	104.6	60%	0.604	55%	0.548	S	S	*	.			trans	-64.9	119.3	173.4	-61.8	-18.4	0	0	0	107.8	W10	W10-N19 HydrophobicContact CH2-CB 4.07Å; W10-N19 VanDerWaalsContact CH2-ND2 3.33Å; W10-N19 WeakPolarHBondContact CH2-ND2 3.2Å; W10-N19 HydrophobicContact CZ3-CB 3.95Å
20	T	56.4	Low	61.3	Low	60 Å²	60	102.2 Å²	102.2	37%	0.368	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	179.8	-40.3	0	0	0	0	108	S11 V18	S11-T20 PolarHBondContact N-O 3.44Å; S11-T20 PolarHBondContact OG-O 2.85Å; V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 2.94Å
21	L	65.5	Low	62	Low	61 Å²	61	100.6 Å²	100.6	32%	0.319	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.9	-178.7	-60.7	174.4	0	0	0	108.6	I8 V83	I8-L21 HydrophobicContact CD1-CD1 4.18Å; I8-L21 HydrophobicContact CG2-CB 3.74Å; I8-L21 HydrophobicContact CG2-CD1 4.3Å; I8-L21 HydrophobicContact CG2-CD2 3.74Å; I8-L21 HydrophobicContact CG2-CG 4.1Å; L21-V83 HydrophobicContact CD1-CG2 3.45Å; L21-V83 VanDerWaalsContact CD1-CG2 3.45Å
22	K	64.1	Low	62.9	Low	131 Å²	131	103.9 Å²	103.9	57%	0.57	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.9	135	173.2	-68.2	-174.5	179.6	-176.5	0	109.1
23	L	67.2	Low	63.9	Low	66 Å²	66	100 Å²	100	35%	0.346	53%	0.533	S	S	.	.			trans	-116.9	117.1	176	-68.8	152.3	0	0	0	107.2	F5 I8 N28 V29	F5-L23 HydrophobicContact CB-CD2 4.4Å; F5-L23 HydrophobicContact CD1-CD1 3.33Å; F5-L23 HydrophobicContact CD1-CD2 3.94Å; F5-L23 HydrophobicContact CD1-CG 4.23Å; F5-L23 HydrophobicContact CE1-CD1 3.38Å; F5-L23 HydrophobicContact CG-CD1 4.41Å; F5-L23 HydrophobicContact CZ-CD1 4.49Å; I8-L23 HydrophobicContact CG1-CD2 4.26Å; L23-N28 HydrophobicContact CD2-CB 4.09Å; L23-V29 HydrophobicContact CD1-CG2 3.9Å; L23-V29 HydrophobicContact CD2-CG2 4.41Å
24	D	71.9	Confident	65.3	Low	108 Å²	108	106.3 Å²	106.3	58%	0.578	55%	0.554	S	S	*	*	S	Bend	trans	-82.8	-23.9	-177.8	-63.4	-24.8	0	0	0	111.8	K9	K9-D24 IonicContact NZ-OD2 2.71Å; K9-D24 PolarHBondContact NZ-OD2 3.29Å
25	V	75.3	Confident	66.3	Low	71 Å²	71	100.1 Å²	100.1	43%	0.43	53%	0.525	S	S	.	.			trans	-133.9	135.2	-171.8	-170.9	0	0	0	0	109.9	E27 N28	V25-E27 VanDerWaalsContact C-N 3.31Å; V25-E27 HydrophobicContact CG1-CB 4.02Å; V25-E27 HydrophobicContact CG1-CG 4.24Å; V25-E27 PolarHBondContact O-N 3.44Å; V25-N28 WeakPolarHBondContact O-CB 3.32Å; V25-N28 PolarHBondContact O-N 3.05Å
26	A	73.2	Confident	67.2	Low	87 Å²	87	96.3 Å²	96.3	72%	0.719	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-65.5	-31.8	179.5	0	0	0	0	0	113.1	N28 V29	A26-N28 PolarHBondContact O-N 3.35Å; A26-N28 VanDerWaalsContact O-N 3.13Å; A26-V29 WeakPolarHBondContact O-CB 3.05Å; A26-V29 PolarHBondContact O-N 3.41Å
27	E	73.8	Confident	68.5	Low	175 Å²	175	93 Å²	93	82%	0.818	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-61.8	-19	176.8	-62	-179.5	169.8	0	0	113.4	V25 V29	V25-E27 VanDerWaalsContact C-N 3.31Å; V25-E27 HydrophobicContact CG1-CB 4.02Å; V25-E27 HydrophobicContact CG1-CG 4.24Å; V25-E27 PolarHBondContact O-N 3.44Å; E27-V29 PolarHBondContact O-N 3.44Å
28	N	65.4	Low	69.3	Low	24 Å²	24	89 Å²	89	13%	0.128	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-76.2	5.8	173.4	-70.9	-27.1	0	0	0	112.7	F5 F6 N7 L23 V25 A26	F5-N28 CarbonylContact C-O 3.44Å; F5-N28 VanDerWaalsContact CA-O 3.3Å; F5-N28 WeakPolarHBondContact CA-O 3.1Å; F6-N28 HydrophobicContact CB-CB 4.43Å; F6-N28 PolarHBondContact N-O 3.08Å; F6-N28 VanDerWaalsContact O-CB 3.32Å; F6-N28 WeakPolarHBondContact O-CB 3.43Å; N7-N28 PolarHBondContact ND2-OD1 3.27Å; N7-N28 VanDerWaalsContact ND2-OD1 3.14Å; L23-N28 HydrophobicContact CD2-CB 4.09Å; V25-N28 WeakPolarHBondContact O-CB 3.32Å; V25-N28 PolarHBondContact O-N 3.05Å; A26-N28 PolarHBondContact O-N 3.35Å; A26-N28 VanDerWaalsContact O-N 3.13Å
29	V	69	Low	70.3	Confident	49 Å²	49	84.9 Å²	84.9	30%	0.297	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.1	179.6	-170.6	0	0	0	0	108.7	I3 L4 F5 L23 A26 E27	I3-V29 HydrophobicContact CG2-CG1 3.27Å; L4-V29 WeakPolarHBondContact O-CA 3.45Å; F5-V29 HydrophobicContact CD1-CG1 4.28Å; F5-V29 HydrophobicContact CD1-CG2 4.02Å; F5-V29 HydrophobicContact CE1-CG1 4.02Å; F5-V29 HydrophobicContact CE1-CG2 4.14Å; L23-V29 HydrophobicContact CD1-CG2 3.9Å; L23-V29 HydrophobicContact CD2-CG2 4.41Å; A26-V29 WeakPolarHBondContact O-CB 3.05Å; A26-V29 PolarHBondContact O-N 3.41Å; E27-V29 PolarHBondContact O-N 3.44Å
30	L	71.4	Confident	71.1	Confident	84 Å²	84	83.7 Å²	83.7	44%	0.44	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.3	177	179.5	68.5	0	0	0	110.3	I3 L4 F6 L32	I3-L30 CarbonylContact C-O 3.57Å; I3-L30 WeakPolarHBondContact CA-O 3.43Å; L4-L30 HydrophobicContact CB-CB 4.17Å; L4-L30 HydrophobicContact CD1-CD2 4.25Å; L4-L30 PolarHBondContact N-O 2.99Å; L4-L30 PolarHBondContact O-N 3.04Å; F6-L30 HydrophobicContact CD2-CB 4.49Å; F6-L30 HydrophobicContact CE2-CB 3.69Å; F6-L30 HydrophobicContact CE2-CD2 4.07Å; F6-L30 HydrophobicContact CZ-CD2 4.24Å; L30-L32 HydrophobicContact CD2-CD2 4.22Å; L30-L32 HydrophobicContact CG-CD2 4.44Å; L30-L32 PolarHBondContact O-N 2.76Å
31	E	72.7	Confident	72.2	Confident	134 Å²	134	81.8 Å²	81.8	63%	0.626	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.8	174.8	-62.3	-173.8	174.5	0	0	110	M1	M1-E31 HydrophobicContact CE-CG 4.27Å; M1-E31 HydrophobicContact SD-CG 4.48Å
32	L	72.6	Confident	72.8	Confident	99 Å²	99	88.4 Å²	88.4	52%	0.518	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-9.8	177.6	-69.2	-178.3	0	0	0	113.1	L2 L4 L30	L2-L32 HydrophobicContact CB-CB 3.87Å; L2-L32 PolarHBondContact O-N 3.27Å; L4-L32 HydrophobicContact CD1-CD1 3.57Å; L4-L32 HydrophobicContact CD1-CD2 3.83Å; L4-L32 HydrophobicContact CD1-CG 3.86Å; L4-L32 HydrophobicContact CG-CD1 3.62Å; L4-L32 HydrophobicContact CG-CG 4.04Å; L30-L32 HydrophobicContact CD2-CD2 4.22Å; L30-L32 HydrophobicContact CG-CD2 4.44Å; L30-L32 PolarHBondContact O-N 2.76Å
33	G	74.8	Confident	73.5	Confident	28 Å²	28	84.6 Å²	84.6	29%	0.289	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.9	-151.4	-179.8	0	0	0	0	0	114.4	M1 L2	M1-G33 CarbonylContact C-O 3.51Å; M1-G33 VanDerWaalsContact CA-O 3.28Å; M1-G33 WeakPolarHBondContact CA-O 3.42Å; L2-G33 PolarHBondContact N-O 2.81Å
34	F	74.6	Confident	74.2	Confident	184 Å²	184	90.4 Å²	90.4	81%	0.807	47%	0.469	S	S	*	.			trans	-95	139.2	-176.1	-66.3	-85.1	0	0	0	111.9	P36	F34-P36 VanDerWaalsContact O-CD 3.23Å; F34-P36 WeakPolarHBondContact O-CD 3.23Å
35	C	71.6	Confident	74.5	Confident	44 Å²	44	89 Å²	89	30%	0.297	46%	0.459	S	S	.	.			trans	-86	107.6	174.4	-173.3	0	0	0	0	109.2	L2 D37 Y38	L2-C35 HydrophobicContact CD1-CB 3.59Å; L2-C35 HydrophobicContact CG-CB 3.88Å; C35-D37 PolarHBondContact O-N 2.72Å; C35-Y38 PolarHBondContact O-N 3.23Å
36	P	72.7	Confident	74.5	Confident	87 Å²	87	92.6 Å²	92.6	57%	0.565	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.9	-179.2	24.8	-32.3	0	0	0	111.9	F34 Y38 K58	F34-P36 VanDerWaalsContact O-CD 3.23Å; F34-P36 WeakPolarHBondContact O-CD 3.23Å; P36-Y38 VanDerWaalsContact C-N 3.29Å; P36-Y38 PolarHBondContact O-N 2.77Å; P36-K58 PolarHBondContact O-NZ 3.33Å
37	D	74.8	Confident	74.7	Confident	47 Å²	47	98.3 Å²	98.3	25%	0.251	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.7	-176.9	-60.7	6.3	0	0	0	113.4	C35 G39 N57 K58 Y59	C35-D37 PolarHBondContact O-N 2.72Å; D37-G39 PolarHBondContact O-N 2.87Å; D37-N57 WeakPolarHBondContact CB-OD1 3.06Å; D37-N57 CarbonylContact O-C 3.53Å; D37-N57 WeakPolarHBondContact O-CA 3.35Å; D37-K58 WeakPolarHBondContact O-CG 3.48Å; D37-K58 PolarHBondContact O-N 3.29Å; D37-Y59 HydrophobicContact CB-CD2 4.01Å; D37-Y59 VanDerWaalsContact CG-CD2 3.4Å; D37-Y59 WeakPolarHBondContact OD1-CD2 3.46Å; D37-Y59 WeakPolarHBondContact OD1-CE2 3.3Å
38	Y	73.4	Confident	74.9	Confident	122 Å²	122	93.8 Å²	93.8	48%	0.478	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.3	-176.7	176.9	-99.3	0	0	0	111	C35 P36 F55 K58	C35-Y38 PolarHBondContact O-N 3.23Å; P36-Y38 VanDerWaalsContact C-N 3.29Å; P36-Y38 PolarHBondContact O-N 2.77Å; Y38-F55 HydrophobicContact CE2-CB 4.12Å; Y38-F55 AromaticContact CE2-CD1 3.66Å; Y38-F55 HydrophobicContact CE2-CD1 3.66Å; Y38-F55 HydrophobicContact CE2-CE1 4.35Å; Y38-F55 AromaticContact CE2-CG 3.99Å; Y38-F55 HydrophobicContact CE2-CG 3.99Å; Y38-F55 AromaticContact CZ-CD1 3.5Å; Y38-F55 AromaticContact CZ-CE1 3.81Å; Y38-F55 WeakPolarHBondContact OH-CD1 3.36Å; Y38-F55 WeakPolarHBondContact OH-CE1 3.37Å; Y38-K58 WeakPolarHBondContact O-CE 3.49Å; Y38-K58 PolarHBondContact O-NZ 2.72Å
39	G	74	Confident	75.6	Confident	9 Å²	9	94.5 Å²	94.5	9%	0.093	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	175.3	176.5	0	0	0	0	0	113.3	D37 F55 V56	D37-G39 PolarHBondContact O-N 2.87Å; G39-F55 CarbonylContact O-C 3.48Å; G39-F55 WeakPolarHBondContact O-CA 3.4Å; G39-V56 PolarHBondContact N-O 3.33Å; G39-V56 PolarHBondContact O-N 2.85Å
40	I	78.9	Confident	76.1	Confident	87 Å²	87	98.3 Å²	98.3	45%	0.446	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.4	174.1	-60.2	173.3	0	0	0	108.6	K42 C52 F55	I40-K42 PolarHBondContact O-N 3.25Å; I40-C52 WeakPolarHBondContact CG2-O 3.47Å; I40-F55 HydrophobicContact CG1-CD1 4.42Å
41	C	79	Confident	76.6	Confident	20 Å²	20	100.5 Å²	100.5	14%	0.135	50%	0.503	C	S	.	.			trans	-56	128.6	176.7	-174.5	0	0	0	0	110.4	S43 C52 N54 V56	C41-S43 PolarHBondContact O-N 3.43Å; C41-S43 PolarHBondContact SG-OG 2.82Å; C41-C52 HydrophobicContact CB-CB 3.88Å; C41-N54 HydrophobicContact CB-CB 4.23Å; C41-N54 VanDerWaalsContact CB-O 3.32Å; C41-N54 WeakPolarHBondContact CB-O 3.43Å; C41-N54 PolarHBondContact N-O 3.45Å; C41-V56 HydrophobicContact CB-CG1 3.79Å
42	K	79.2	Confident	76.9	Confident	200 Å²	200	94.8 Å²	94.8	87%	0.87	48%	0.478	S	S	*	.			trans	-77.5	-3.2	-178.8	-61.5	-175.9	179.3	-177.7	0	113.9	I40	I40-K42 PolarHBondContact O-N 3.25Å
43	S	78.2	Confident	77.1	Confident	52 Å²	52	94 Å²	94	36%	0.364	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-77.9	160	-177.8	70.5	0	0	0	0	112.5	C41 C52	C41-S43 PolarHBondContact O-N 3.43Å; C41-S43 PolarHBondContact SG-OG 2.82Å; S43-C52 WeakPolarHBondContact O-CB 3.32Å; S43-C52 PolarHBondContact O-N 2.92Å; S43-C52 WeakPolarHBondContact OG-CB 2.87Å
44	R	82.3	Confident	77.1	Confident	187 Å²	187	97.7 Å²	97.7	71%	0.706	49%	0.494	S	S	*	.	B	Isolated β-bridge	trans	-102.9	148	167.2	-73.6	177.9	-175.5	-100.8	3.3	110.2	I46 G49 Q50	R44-I46 PolarHBondContact O-N 2.81Å; R44-G49 WeakPolarHBondContact CD-O 2.91Å; R44-G49 PolarHBondContact NH1-O 3.13Å; R44-Q50 CarbonylContact C-O 3.51Å; R44-Q50 VanDerWaalsContact CA-O 3.32Å; R44-Q50 WeakPolarHBondContact CA-O 3.03Å
45	Q	76.6	Confident	77.2	Confident	79 Å²	79	94.2 Å²	94.2	37%	0.369	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.7	173.7	-63.7	-178.1	32.6	0	0	109.4	K47 T48 G49 Q50	Q45-K47 PolarHBondContact O-N 3.2Å; Q45-T48 WeakPolarHBondContact CB-OG1 3.28Å; Q45-T48 PolarHBondContact OE1-OG1 3.43Å; Q45-G49 WeakPolarHBondContact O-CA 3.02Å; Q45-G49 PolarHBondContact O-N 2.96Å; Q45-Q50 PolarHBondContact N-O 3.39Å
46	I	76.3	Confident	77.3	Confident	146 Å²	146	94 Å²	94	75%	0.749	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36	-176.1	-58.4	171.2	0	0	0	111.3	R44	R44-I46 PolarHBondContact O-N 2.81Å
47	K	77.3	Confident	77.2	Confident	207 Å²	207	91.4 Å²	91.4	90%	0.9	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-33.5	-173.5	-62.6	-174.2	178.1	-174.8	0	113.8	Q45	Q45-K47 PolarHBondContact O-N 3.2Å
48	T	78.1	Confident	77	Confident	80 Å²	80	95.3 Å²	95.3	49%	0.491	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-8.9	-168.4	54	0	0	0	0	113.3	Q45 Q50	Q45-T48 WeakPolarHBondContact CB-OG1 3.28Å; Q45-T48 PolarHBondContact OE1-OG1 3.43Å; T48-Q50 PolarHBondContact O-N 3.26Å
49	G	80.3	Confident	76.7	Confident	39 Å²	39	97.4 Å²	97.4	40%	0.402	48%	0.48	S	S	.	.			trans	67.5	-5.1	-176.2	0	0	0	0	0	115.1	R44 Q45	R44-G49 WeakPolarHBondContact CD-O 2.91Å; R44-G49 PolarHBondContact NH1-O 3.13Å; Q45-G49 WeakPolarHBondContact O-CA 3.02Å; Q45-G49 PolarHBondContact O-N 2.96Å
50	Q	80.3	Confident	75.9	Confident	129 Å²	129	97.3 Å²	97.3	60%	0.603	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-71.7	154.7	179.6	-67.1	-169.2	-7	0	0	111.8	R44 Q45 T48	R44-Q50 CarbonylContact C-O 3.51Å; R44-Q50 VanDerWaalsContact CA-O 3.32Å; R44-Q50 WeakPolarHBondContact CA-O 3.03Å; Q45-Q50 PolarHBondContact N-O 3.39Å; T48-Q50 PolarHBondContact O-N 3.26Å
51	Q	80.7	Confident	74.4	Confident	131 Å²	131	105.5 Å²	105.5	61%	0.612	50%	0.504	S	S	*	.	B	Isolated β-bridge	trans	-63.4	141.4	176.2	-171.8	171.1	-6.5	0	0	110.7	S53	Q51-S53 PolarHBondContact O-N 3.24Å
52	C	78.4	Confident	72.9	Confident	13 Å²	13	106.4 Å²	106.4	9%	0.088	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-68.6	128.5	175.5	-173	0	0	0	0	110.1	I40 C41 S43 N54	I40-C52 WeakPolarHBondContact CG2-O 3.47Å; C41-C52 HydrophobicContact CB-CB 3.88Å; S43-C52 WeakPolarHBondContact O-CB 3.32Å; S43-C52 PolarHBondContact O-N 2.92Å; S43-C52 WeakPolarHBondContact OG-CB 2.87Å; C52-N54 VanDerWaalsContact C-N 3.35Å; C52-N54 VanDerWaalsContact SG-CB 3.59Å
53	S	78.3	Confident	71.3	Confident	83 Å²	83	104.9 Å²	104.9	58%	0.58	51%	0.509	S	S	*	.			trans	-89.7	2.4	177.5	52.6	0	0	0	0	113.6	Q51	Q51-S53 PolarHBondContact O-N 3.24Å
54	N	75.1	Confident	69.7	Low	106 Å²	106	110.6 Å²	110.6	57%	0.567	53%	0.53	S	S	*	.			trans	-70.9	134.5	-177.7	-69.1	-17	0	0	0	111.1	C41 C52	C41-N54 HydrophobicContact CB-CB 4.23Å; C41-N54 VanDerWaalsContact CB-O 3.32Å; C41-N54 WeakPolarHBondContact CB-O 3.43Å; C41-N54 PolarHBondContact N-O 3.45Å; C52-N54 VanDerWaalsContact C-N 3.35Å; C52-N54 VanDerWaalsContact SG-CB 3.59Å
55	F	75.5	Confident	67.6	Low	110 Å²	110	110 Å²	110	48%	0.482	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.3	174	-53.4	-67.3	0	0	0	111.5	Y38 G39 I40	Y38-F55 HydrophobicContact CE2-CB 4.12Å; Y38-F55 AromaticContact CE2-CD1 3.66Å; Y38-F55 HydrophobicContact CE2-CD1 3.66Å; Y38-F55 HydrophobicContact CE2-CE1 4.35Å; Y38-F55 AromaticContact CE2-CG 3.99Å; Y38-F55 HydrophobicContact CE2-CG 3.99Å; Y38-F55 AromaticContact CZ-CD1 3.5Å; Y38-F55 AromaticContact CZ-CE1 3.81Å; Y38-F55 WeakPolarHBondContact OH-CD1 3.36Å; Y38-F55 WeakPolarHBondContact OH-CE1 3.37Å; G39-F55 CarbonylContact O-C 3.48Å; G39-F55 WeakPolarHBondContact O-CA 3.4Å; I40-F55 HydrophobicContact CG1-CD1 4.42Å
56	V	73.2	Confident	65.8	Low	40 Å²	40	114 Å²	114	24%	0.242	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.4	154.4	179.7	-61.2	0	0	0	0	110.9	G39 C41	G39-V56 PolarHBondContact N-O 3.33Å; G39-V56 PolarHBondContact O-N 2.85Å; C41-V56 HydrophobicContact CB-CG1 3.79Å
57	N	72.2	Confident	63.7	Low	33 Å²	33	110.5 Å²	110.5	18%	0.176	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.7	163.6	-179.4	-31.4	0	0	0	108.4	D37 Y59 G60	D37-N57 WeakPolarHBondContact CB-OD1 3.06Å; D37-N57 CarbonylContact O-C 3.53Å; D37-N57 WeakPolarHBondContact O-CA 3.35Å; N57-Y59 VanDerWaalsContact C-N 3.28Å; N57-Y59 PolarHBondContact O-N 2.71Å; N57-Y59 PolarHBondContact OD1-N 2.7Å; N57-G60 PolarHBondContact O-N 2.81Å; N57-G60 PolarHBondContact OD1-N 2.99Å
58	K	68.9	Low	61.6	Low	129 Å²	129	108 Å²	108	56%	0.561	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.4	-178.4	-69.2	174.3	-175.7	158.5	0	113.8	P36 D37 Y38	P36-K58 PolarHBondContact O-NZ 3.33Å; D37-K58 WeakPolarHBondContact O-CG 3.48Å; D37-K58 PolarHBondContact O-N 3.29Å; Y38-K58 WeakPolarHBondContact O-CE 3.49Å; Y38-K58 PolarHBondContact O-NZ 2.72Å
59	Y	67.8	Low	60	Low	166 Å²	166	112.8 Å²	112.8	65%	0.651	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-8.3	-179.7	-67.9	-89	0	0	0	113.3	D37 N57	D37-Y59 HydrophobicContact CB-CD2 4.01Å; D37-Y59 VanDerWaalsContact CG-CD2 3.4Å; D37-Y59 WeakPolarHBondContact OD1-CD2 3.46Å; D37-Y59 WeakPolarHBondContact OD1-CE2 3.3Å; N57-Y59 VanDerWaalsContact C-N 3.28Å; N57-Y59 PolarHBondContact O-N 2.71Å; N57-Y59 PolarHBondContact OD1-N 2.7Å
60	G	57.5	Low	57.6	Low	7 Å²	7	116.2 Å²	116.2	7%	0.072	59%	0.589	C	S	.	*	S	Bend	trans	-79.7	135.3	175.9	0	0	0	0	0	111.8	N57 A62	N57-G60 PolarHBondContact O-N 2.81Å; N57-G60 PolarHBondContact OD1-N 2.99Å; G60-A62 PolarHBondContact O-N 2.79Å
61	R	46.8	Very low	55.3	Low	258 Å²	258	113.7 Å²	113.7	97%	0.974	60%	0.598	S	S	*	*	S	Bend	trans	-62.3	9.2	176.1	-60.4	-172.8	-154.5	-166.4	4.4	115.4	Q63	R61-Q63 PolarHBondContact O-N 2.85Å
62	A	47.5	Very low	52.8	Low	39 Å²	39	119.8 Å²	119.8	32%	0.322	62%	0.615	S	S	.	*			trans	-99.6	70.1	-175.3	0	0	0	0	0	110.8	G60 Q64	G60-A62 PolarHBondContact O-N 2.79Å; A62-Q64 VanDerWaalsContact C-N 3.27Å
63	Q	46.1	Very low	50.7	Low	168 Å²	168	125.1 Å²	125.1	79%	0.785	65%	0.652	S	S	*	*			trans	-86	3.4	170.2	-68.5	-175.7	-8.9	0	0	112.7	R61	R61-Q63 PolarHBondContact O-N 2.85Å
64	Q	43.8	Very low	48.7	Very low	172 Å²	172	127.9 Å²	127.9	80%	0.804	67%	0.666	S	S	*	*	S	Bend	trans	-126.1	138.7	-176.3	-69.8	172.7	0.6	0	0	111	A62 M66	A62-Q64 VanDerWaalsContact C-N 3.27Å; Q64-M66 PolarHBondContact O-N 3.06Å
65	K	38.5	Very low	46.6	Very low	174 Å²	174	132.4 Å²	132.4	76%	0.757	68%	0.684	S	S	*	*			trans	-41.6	117	-175.3	-68	172.6	177.5	174.4	0	112.5	A67	K65-A67 PolarHBondContact O-N 3.32Å
66	M	39.2	Very low	44.5	Very low	164 Å²	164	131.9 Å²	131.9	81%	0.808	70%	0.7	S	S	*	*			trans	-86.6	81.9	161.8	-71.2	-167.6	158.4	0	0	109	Q64	Q64-M66 PolarHBondContact O-N 3.06Å
67	A	33.3	Very low	42.7	Very low	73 Å²	73	139 Å²	139	60%	0.603	73%	0.731	S	S	*	*			trans	-89.2	131.9	153.9	0	0	0	0	0	106.8	K65	K65-A67 PolarHBondContact O-N 3.32Å
68	N	33.2	Very low	41	Very low	153 Å²	153	147 Å²	147	82%	0.818	76%	0.764	S	S	*	*			trans	75.4	105.5	172.8	-48.8	-38.3	0	0	0	115.8
69	L	43.3	Very low	39.2	Very low	182 Å²	182	149.4 Å²	149.4	95%	0.953	78%	0.777	S	S	*	*			trans	-172.5	83.7	140.8	-94.9	142.4	0	0	0	107.4
70	A	29.5	Very low	37.7	Very low	110 Å²	110	146.9 Å²	146.9	91%	0.909	77%	0.774	S	S	*	*			trans	-78.5	130.7	158.5	0	0	0	0	0	107.7
71	G	31.8	Very low	36.8	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	79%	0.793	S	S	*	*			trans	170.9	96.8	176.3	0	0	0	0	0	114.9
72	R	28.5	Very low	36.4	Very low	259 Å²	259	139 Å²	139	98%	0.977	76%	0.756	S	S	*	*			trans	29.1	119.1	148.3	-76	174.9	165.4	170.1	-6.1	119.5
73	S	34.4	Very low	35.9	Very low	125 Å²	125	140.7 Å²	140.7	87%	0.874	76%	0.762	S	S	*	*			trans	-146.9	139.8	139.9	54.5	0	0	0	0	110.5
74	T	35.8	Very low	35.7	Very low	141 Å²	141	136 Å²	136	87%	0.865	74%	0.742	S	S	*	*			trans	-73.7	152.7	-166.5	44.2	0	0	0	0	114.3	A76	T74-A76 PolarHBondContact O-N 3.18Å
75	E	30.8	Very low	35.2	Very low	201 Å²	201	131.1 Å²	131.1	94%	0.939	73%	0.725	S	S	*	*	S	Bend	trans	-69.2	110.2	-174.4	-67.2	161.8	141.5	0	0	113.1
76	A	32.3	Very low	35.2	Very low	99 Å²	99	134.2 Å²	134.2	82%	0.818	73%	0.732	S	S	*	*			trans	-159.8	61.5	155.5	0	0	0	0	0	108.6	T74	T74-A76 PolarHBondContact O-N 3.18Å
77	E	34.8	Very low	35.4	Very low	191 Å²	191	129 Å²	129	89%	0.893	71%	0.712	S	S	*	*			trans	-118.2	109.3	175.6	-69.5	-171.4	145.9	0	0	108.8
78	K	36.4	Very low	35.8	Very low	200 Å²	200	127.6 Å²	127.6	87%	0.87	70%	0.698	S	S	*	*			trans	-117.1	114	162.4	-77.7	-172.8	179	-178.2	0	109.1
79	E	31.4	Very low	36.4	Very low	180 Å²	180	129 Å²	129	84%	0.841	70%	0.697	S	S	*	*	S	Bend	trans	71.4	84.2	147.8	-59.5	-171.1	150	0	0	119.3
80	L	36.8	Very low	36.3	Very low	113 Å²	113	124.5 Å²	124.5	59%	0.592	67%	0.674	S	S	*	*			trans	-160.6	96.1	132.3	-145.3	82	0	0	0	109.2	V82	L80-V82 HydrophobicContact CD2-CG2 4.3Å; L80-V82 PolarHBondContact O-N 2.72Å
81	S	39.5	Very low	36.8	Very low	66 Å²	66	122.3 Å²	122.3	46%	0.462	64%	0.642	S	S	.	*			trans	-84.9	91.7	-178.5	54.5	0	0	0	0	111.5
82	V	37.3	Very low	37.5	Very low	33 Å²	33	123.5 Å²	123.5	20%	0.2	63%	0.63	C	S	.	*			trans	-95.6	108.2	168	179.1	0	0	0	0	108.1	L4 L80 I84 L95	L4-V82 HydrophobicContact CD2-CB 4.31Å; L4-V82 HydrophobicContact CD2-CG1 3.9Å; L4-V82 HydrophobicContact CD2-CG2 3.59Å; L80-V82 HydrophobicContact CD2-CG2 4.3Å; L80-V82 PolarHBondContact O-N 2.72Å; V82-I84 HydrophobicContact CB-CG1 4.46Å; V82-I84 HydrophobicContact CG1-CD1 3.31Å; V82-I84 HydrophobicContact CG1-CG1 3.31Å; V82-I84 PolarHBondContact O-N 3.14Å; V82-L95 HydrophobicContact CB-CD2 4.07Å; V82-L95 HydrophobicContact CG1-CD2 4.29Å; V82-L95 HydrophobicContact CG2-CD2 3.89Å
83	V	37.6	Very low	37.9	Very low	74 Å²	74	119.2 Å²	119.2	45%	0.448	62%	0.618	S	S	.	*			trans	-70.3	96.6	176.4	179.2	0	0	0	0	108.6	F5 L21	F5-V83 HydrophobicContact CD2-CB 3.87Å; F5-V83 HydrophobicContact CD2-CG2 3.71Å; F5-V83 HydrophobicContact CE2-CB 3.88Å; F5-V83 HydrophobicContact CE2-CG1 4.44Å; F5-V83 HydrophobicContact CE2-CG2 4.03Å; L21-V83 HydrophobicContact CD1-CG2 3.45Å; L21-V83 VanDerWaalsContact CD1-CG2 3.45Å
84	I	41.1	Very low	38.5	Very low	70 Å²	70	117.2 Å²	117.2	36%	0.359	60%	0.601	S	S	.	*			trans	-137.3	134.6	169.1	-28.6	176.8	0	0	0	111.2	L2 V82 R91	L2-I84 HydrophobicContact CD2-CD1 4.01Å; V82-I84 HydrophobicContact CB-CG1 4.46Å; V82-I84 HydrophobicContact CG1-CD1 3.31Å; V82-I84 HydrophobicContact CG1-CG1 3.31Å; V82-I84 PolarHBondContact O-N 3.14Å; I84-R91 VanDerWaalsContact C-NH1 3.28Å; I84-R91 PolarHBondContact O-NH1 2.77Å; I84-R91 PolarHBondContact O-NH2 3.36Å
85	C	33.2	Very low	39	Very low	69 Å²	69	113.8 Å²	113.8	47%	0.466	58%	0.577	S	S	.	*			trans	-20.4	131.9	173.4	-168.6	0	0	0	0	119.1	S87 R91	C85-S87 VanDerWaalsContact C-N 3.28Å; C85-S87 PolarHBondContact O-N 2.98Å; C85-R91 PolarHBondContact O-NH1 2.94Å; C85-R91 PolarHBondContact O-NH2 3.32Å
86	R	38.5	Very low	40.2	Very low	239 Å²	239	110.4 Å²	110.4	90%	0.902	56%	0.559	S	S	*	*	S	Bend	trans	-62.2	18.1	-169.1	-70.3	-178.4	174.4	175.5	-1.1	120.1
87	S	44	Very low	41.4	Very low	55 Å²	55	107.8 Å²	107.8	39%	0.385	54%	0.538	S	S	.	.			trans	-118.9	119.4	-171.7	-90.2	0	0	0	0	116.5	C85 R91	C85-S87 VanDerWaalsContact C-N 3.28Å; C85-S87 PolarHBondContact O-N 2.98Å; S87-R91 WeakPolarHBondContact O-CD 3.32Å
88	S	42.6	Very low	42.7	Very low	44 Å²	44	102.4 Å²	102.4	31%	0.308	51%	0.514	S	S	.	.			trans	87.6	135.1	150.5	-149	0	0	0	0	118.8	N90 R91	S88-N90 PolarHBondContact O-N 3.45Å; S88-R91 WeakPolarHBondContact O-CG 3.34Å; S88-R91 PolarHBondContact O-N 3.38Å
89	K	44.9	Very low	44	Very low	181 Å²	181	97.6 Å²	97.6	79%	0.787	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-8.1	-165.6	-64.3	177.2	178.2	179	0	117.1	R91	K89-R91 PolarHBondContact O-N 3.18Å
90	N	41.7	Very low	45.9	Very low	88 Å²	88	93.9 Å²	93.9	47%	0.471	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.6	179.4	-70.4	-5.1	0	0	0	113.7	S88 F93	S88-N90 PolarHBondContact O-N 3.45Å; N90-F93 PolarHBondContact O-N 3.43Å
91	R	39.1	Very low	47.5	Very low	64 Å²	64	93.8 Å²	93.8	24%	0.242	48%	0.478	C	S	.	.	H	α-helix	trans	-84.5	-20.6	-172.4	-57.3	176.4	89.7	-156.6	50.6	113.8	I84 C85 S87 S88 K89 T94 L95	I84-R91 VanDerWaalsContact C-NH1 3.28Å; I84-R91 PolarHBondContact O-NH1 2.77Å; I84-R91 PolarHBondContact O-NH2 3.36Å; C85-R91 PolarHBondContact O-NH1 2.94Å; C85-R91 PolarHBondContact O-NH2 3.32Å; S87-R91 WeakPolarHBondContact O-CD 3.32Å; S88-R91 WeakPolarHBondContact O-CG 3.34Å; S88-R91 PolarHBondContact O-N 3.38Å; K89-R91 PolarHBondContact O-N 3.18Å; R91-T94 PolarHBondContact O-OG1 3.35Å; R91-L95 PolarHBondContact O-N 3.17Å
92	I	46.2	Very low	49.1	Very low	102 Å²	102	96.4 Å²	96.4	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-32.3	169.9	-63.7	166.9	0	0	0	109.4	K96	I92-K96 HydrophobicContact CG2-CD 3.78Å; I92-K96 VanDerWaalsContact CG2-CE 3.46Å; I92-K96 HydrophobicContact CG2-CG 4.29Å; I92-K96 WeakPolarHBondContact O-CB 3.34Å; I92-K96 WeakPolarHBondContact O-CG 3.33Å; I92-K96 PolarHBondContact O-N 2.98Å
93	F	38.2	Very low	50.9	Low	169 Å²	169	99.1 Å²	99.1	74%	0.741	49%	0.492	S	S	*	.	H	α-helix	trans	-73.2	-42.8	-177.2	-136.8	-91	0	0	0	112.4	N90 A97	N90-F93 PolarHBondContact O-N 3.43Å; F93-A97 WeakPolarHBondContact O-CB 3.28Å; F93-A97 PolarHBondContact O-N 3.33Å
94	T	45.9	Very low	52.7	Low	83 Å²	83	99.3 Å²	99.3	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-72.9	-40.2	-180	56	0	0	0	0	112.8	R91 A97 I98	R91-T94 PolarHBondContact O-OG1 3.35Å; T94-A97 PolarHBondContact O-N 3.31Å; T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.07Å
95	L	47.6	Very low	54.5	Low	69 Å²	69	101.4 Å²	101.4	36%	0.361	50%	0.499	S	S	.	.	H	α-helix	trans	-69	-39.5	176.2	-72.1	171	0	0	0	111.6	V82 R91 A97 I98 F99	V82-L95 HydrophobicContact CB-CD2 4.07Å; V82-L95 HydrophobicContact CG1-CD2 4.29Å; V82-L95 HydrophobicContact CG2-CD2 3.89Å; R91-L95 PolarHBondContact O-N 3.17Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-I98 PolarHBondContact O-N 3.24Å; L95-F99 VanDerWaalsContact O-CB 3.27Å; L95-F99 WeakPolarHBondContact O-CB 3.13Å; L95-F99 PolarHBondContact O-N 2.93Å
96	K	55.9	Low	56.6	Low	129 Å²	129	100.2 Å²	100.2	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-61.3	-42.6	170.7	-78.4	179.3	178.1	-176.6	0	111.5	I92 F99 L100	I92-K96 HydrophobicContact CG2-CD 3.78Å; I92-K96 VanDerWaalsContact CG2-CE 3.46Å; I92-K96 HydrophobicContact CG2-CG 4.29Å; I92-K96 WeakPolarHBondContact O-CB 3.34Å; I92-K96 WeakPolarHBondContact O-CG 3.33Å; I92-K96 PolarHBondContact O-N 2.98Å; K96-F99 PolarHBondContact O-N 3.22Å; K96-L100 VanDerWaalsContact O-CB 3.28Å; K96-L100 WeakPolarHBondContact O-CB 3.13Å; K96-L100 WeakPolarHBondContact O-CG 3.16Å; K96-L100 PolarHBondContact O-N 3.44Å
97	A	56.9	Low	59	Low	45 Å²	45	90.6 Å²	90.6	37%	0.372	46%	0.463	S	S	.	.	H	α-helix	trans	-61.5	-46.7	177.8	0	0	0	0	0	111.8	F93 T94 L95 L100 L101	F93-A97 WeakPolarHBondContact O-CB 3.28Å; F93-A97 PolarHBondContact O-N 3.33Å; T94-A97 PolarHBondContact O-N 3.31Å; L95-A97 VanDerWaalsContact C-N 3.34Å; A97-L100 PolarHBondContact O-N 3.35Å; A97-L101 VanDerWaalsContact O-CG 3.28Å; A97-L101 WeakPolarHBondContact O-CG 3.36Å; A97-L101 PolarHBondContact O-N 2.9Å
98	I	62.3	Low	61.1	Low	78 Å²	78	93.6 Å²	93.6	40%	0.4	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-47.3	176.3	-68	166.9	0	0	0	110.7	T94 L95 L100 L101 F102	T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.07Å; L95-I98 PolarHBondContact O-N 3.24Å; I98-L100 PolarHBondContact O-N 2.82Å; I98-L101 PolarHBondContact O-N 2.97Å; I98-F102 HydrophobicContact CG2-CD2 3.62Å; I98-F102 HydrophobicContact CG2-CE2 3.43Å; I98-F102 VanDerWaalsContact CG2-CE2 3.43Å; I98-F102 WeakPolarHBondContact O-CD2 3.42Å; I98-F102 PolarHBondContact O-N 3.42Å
99	F	64.3	Low	63.2	Low	99 Å²	99	97.1 Å²	97.1	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-43.1	177	179.7	-102.2	0	0	0	112.5	L95 K96 F102 Q103	L95-F99 VanDerWaalsContact O-CB 3.27Å; L95-F99 WeakPolarHBondContact O-CB 3.13Å; L95-F99 PolarHBondContact O-N 2.93Å; K96-F99 PolarHBondContact O-N 3.22Å; F99-F102 PolarHBondContact O-N 2.98Å; F99-Q103 HydrophobicContact CD1-CG 4.33Å; F99-Q103 HydrophobicContact CE1-CG 4.05Å; F99-Q103 HydrophobicContact CZ-CG 4.17Å; F99-Q103 WeakPolarHBondContact O-CG 3.19Å; F99-Q103 PolarHBondContact O-N 2.93Å
100	L	70.5	Confident	65.4	Low	102 Å²	102	94.1 Å²	94.1	53%	0.534	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176.3	-72.2	169.7	0	0	0	112.2	K96 A97 I98 Q103 D104	K96-L100 VanDerWaalsContact O-CB 3.28Å; K96-L100 WeakPolarHBondContact O-CB 3.13Å; K96-L100 WeakPolarHBondContact O-CG 3.16Å; K96-L100 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 3.35Å; I98-L100 PolarHBondContact O-N 2.82Å; L100-Q103 PolarHBondContact O-N 3.39Å; L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 3.41Å
101	L	71	Confident	67.8	Low	110 Å²	110	96.1 Å²	96.1	58%	0.576	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-46.2	173.8	-71	173.1	0	0	0	111.2	A97 I98 Q103 D104 E105	A97-L101 VanDerWaalsContact O-CG 3.28Å; A97-L101 WeakPolarHBondContact O-CG 3.36Å; A97-L101 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 2.97Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.35Å; L101-D104 PolarHBondContact O-N 2.92Å; L101-E105 WeakPolarHBondContact O-CG 3.27Å; L101-E105 PolarHBondContact O-N 2.66Å
102	F	72.5	Confident	70.4	Confident	122 Å²	122	99.5 Å²	99.5	54%	0.535	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-40.2	175	-82.3	-68.4	0	0	0	112.4	I98 F99 E105 S106	I98-F102 HydrophobicContact CG2-CD2 3.62Å; I98-F102 HydrophobicContact CG2-CE2 3.43Å; I98-F102 VanDerWaalsContact CG2-CE2 3.43Å; I98-F102 WeakPolarHBondContact O-CD2 3.42Å; I98-F102 PolarHBondContact O-N 3.42Å; F99-F102 PolarHBondContact O-N 2.98Å; F102-E105 PolarHBondContact O-N 3.03Å; F102-S106 WeakPolarHBondContact O-CB 3.39Å; F102-S106 PolarHBondContact O-N 3.48Å; F102-S106 PolarHBondContact O-OG 2.99Å
103	Q	75.3	Confident	72.6	Confident	90 Å²	90	100.7 Å²	100.7	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-38	176.1	-75.8	-172.1	-33.9	0	0	113	F99 L100 L101 S106 A107	F99-Q103 HydrophobicContact CD1-CG 4.33Å; F99-Q103 HydrophobicContact CE1-CG 4.05Å; F99-Q103 HydrophobicContact CZ-CG 4.17Å; F99-Q103 WeakPolarHBondContact O-CG 3.19Å; F99-Q103 PolarHBondContact O-N 2.93Å; L100-Q103 PolarHBondContact O-N 3.39Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.35Å; Q103-S106 WeakPolarHBondContact CA-OG 3.5Å; Q103-S106 PolarHBondContact O-OG 3.44Å; Q103-A107 VanDerWaalsContact O-CB 3.25Å; Q103-A107 WeakPolarHBondContact O-CB 3.47Å; Q103-A107 PolarHBondContact O-N 3.32Å
104	D	75	Confident	75.3	Confident	78 Å²	78	97.3 Å²	97.3	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-70.2	-40.2	176.8	-174.1	45.4	0	0	0	111.4	L100 L101 A107 K108	L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 3.41Å; L101-D104 PolarHBondContact O-N 2.92Å; D104-A107 PolarHBondContact O-N 3.04Å; D104-K108 WeakPolarHBondContact O-CD 3.25Å; D104-K108 VanDerWaalsContact O-CG 3.29Å; D104-K108 WeakPolarHBondContact O-CG 3.48Å; D104-K108 PolarHBondContact O-N 2.97Å; D104-K108 IonicContact OD1-NZ 2.66Å; D104-K108 WeakPolarHBondContact OD2-CE 3.4Å; D104-K108 IonicContact OD2-NZ 2.77Å; D104-K108 PolarHBondContact OD2-NZ 3.28Å
105	E	79.5	Confident	77.6	Confident	113 Å²	113	99.1 Å²	99.1	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-45.6	173.2	-72.9	-177.2	165.3	0	0	112.1	L101 F102 K108 Q109	L101-E105 WeakPolarHBondContact O-CG 3.27Å; L101-E105 PolarHBondContact O-N 2.66Å; F102-E105 PolarHBondContact O-N 3.03Å; E105-K108 PolarHBondContact O-N 2.86Å; E105-Q109 VanDerWaalsContact O-CG 3.32Å; E105-Q109 WeakPolarHBondContact O-CG 3.47Å; E105-Q109 PolarHBondContact O-N 3.39Å
106	S	77.5	Confident	79.8	Confident	45 Å²	45	99.4 Å²	99.4	32%	0.315	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-41.2	177.6	70	0	0	0	0	111.6	F102 Q103 K108 Q109 E110	F102-S106 WeakPolarHBondContact O-CB 3.39Å; F102-S106 PolarHBondContact O-N 3.48Å; F102-S106 PolarHBondContact O-OG 2.99Å; Q103-S106 WeakPolarHBondContact CA-OG 3.5Å; Q103-S106 PolarHBondContact O-OG 3.44Å; S106-K108 PolarHBondContact O-N 2.89Å; S106-Q109 WeakPolarHBondContact O-CB 3.5Å; S106-Q109 PolarHBondContact O-N 3.3Å; S106-E110 WeakPolarHBondContact O-CB 3.36Å; S106-E110 WeakPolarHBondContact O-CG 3.49Å; S106-E110 PolarHBondContact O-N 3.25Å
107	A	88.6	Confident	81.7	Confident	37 Å²	37	97.7 Å²	97.7	31%	0.306	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-39.9	176.6	0	0	0	0	0	112.3	Q103 D104 E110 Q111	Q103-A107 VanDerWaalsContact O-CB 3.25Å; Q103-A107 WeakPolarHBondContact O-CB 3.47Å; Q103-A107 PolarHBondContact O-N 3.32Å; D104-A107 PolarHBondContact O-N 3.04Å; A107-E110 PolarHBondContact O-N 3.49Å; A107-Q111 VanDerWaalsContact O-CG 3.3Å; A107-Q111 WeakPolarHBondContact O-CG 3.43Å; A107-Q111 PolarHBondContact O-N 3.2Å
108	K	86.8	Confident	83.5	Confident	118 Å²	118	98 Å²	98	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-42	174.5	-74.8	165	178.9	161.9	0	111.9	D104 E105 S106 Q111 Y112	D104-K108 WeakPolarHBondContact O-CD 3.25Å; D104-K108 VanDerWaalsContact O-CG 3.29Å; D104-K108 WeakPolarHBondContact O-CG 3.48Å; D104-K108 PolarHBondContact O-N 2.97Å; D104-K108 IonicContact OD1-NZ 2.66Å; D104-K108 WeakPolarHBondContact OD2-CE 3.4Å; D104-K108 IonicContact OD2-NZ 2.77Å; D104-K108 PolarHBondContact OD2-NZ 3.28Å; E105-K108 PolarHBondContact O-N 2.86Å; S106-K108 PolarHBondContact O-N 2.89Å; K108-Q111 PolarHBondContact O-N 3.47Å; K108-Y112 WeakPolarHBondContact O-CB 3.32Å; K108-Y112 PolarHBondContact O-N 3.01Å
109	Q	86.5	Confident	85	Confident	117 Å²	117	99.9 Å²	99.9	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-47.2	175.8	-73.6	174.2	-27.8	0	0	111.3	E105 S106 Q111 Y112 F113	E105-Q109 VanDerWaalsContact O-CG 3.32Å; E105-Q109 WeakPolarHBondContact O-CG 3.47Å; E105-Q109 PolarHBondContact O-N 3.39Å; S106-Q109 WeakPolarHBondContact O-CB 3.5Å; S106-Q109 PolarHBondContact O-N 3.3Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q109-Y112 WeakPolarHBondContact O-CB 3.39Å; Q109-Y112 PolarHBondContact O-N 3.46Å; Q109-F113 HydrophobicContact CB-CD2 4.34Å; Q109-F113 HydrophobicContact CB-CE2 4.08Å; Q109-F113 WeakPolarHBondContact O-CD2 3.37Å; Q109-F113 WeakPolarHBondContact O-CG 3.01Å; Q109-F113 PolarHBondContact O-N 3.4Å
110	E	92.7	Very high	86.3	Confident	118 Å²	118	101.2 Å²	101.2	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-59.1	-45.7	176.8	-75.4	175.6	-165.5	0	0	112	S106 A107 Y112 F113 N114	S106-E110 WeakPolarHBondContact O-CB 3.36Å; S106-E110 WeakPolarHBondContact O-CG 3.49Å; S106-E110 PolarHBondContact O-N 3.25Å; A107-E110 PolarHBondContact O-N 3.49Å; E110-Y112 VanDerWaalsContact C-N 3.33Å; E110-Y112 PolarHBondContact O-N 3.48Å; E110-F113 PolarHBondContact O-N 3.18Å; E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 PolarHBondContact O-N 3.34Å; E110-N114 PolarHBondContact O-ND2 3.42Å
111	Q	92.5	Very high	87.4	Confident	130 Å²	130	102 Å²	102	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-58.9	-43.9	175.4	-74.2	176.9	10.6	0	0	112.1	A107 K108 Q109 L115	A107-Q111 VanDerWaalsContact O-CG 3.3Å; A107-Q111 WeakPolarHBondContact O-CG 3.43Å; A107-Q111 PolarHBondContact O-N 3.2Å; K108-Q111 PolarHBondContact O-N 3.47Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q111-L115 WeakPolarHBondContact O-CG 3.3Å; Q111-L115 PolarHBondContact O-N 2.99Å
112	Y	92.5	Very high	88.4	Confident	135 Å²	135	102.6 Å²	102.6	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-49.4	175.6	173	-96.1	0	0	0	111.6	K108 Q109 E110 N114 L115 M116	K108-Y112 WeakPolarHBondContact O-CB 3.32Å; K108-Y112 PolarHBondContact O-N 3.01Å; Q109-Y112 WeakPolarHBondContact O-CB 3.39Å; Q109-Y112 PolarHBondContact O-N 3.46Å; E110-Y112 VanDerWaalsContact C-N 3.33Å; E110-Y112 PolarHBondContact O-N 3.48Å; Y112-N114 PolarHBondContact O-N 3.09Å; Y112-L115 PolarHBondContact O-N 3.49Å; Y112-M116 HydrophobicContact CD1-CG 4.42Å; Y112-M116 HydrophobicContact CE1-CG 3.97Å; Y112-M116 HydrophobicContact CE2-CG 4.17Å; Y112-M116 WeakPolarHBondContact O-CG 3.41Å; Y112-M116 PolarHBondContact O-N 2.87Å; Y112-M116 VanDerWaalsContact O-N 3.09Å
113	F	93.2	Very high	89.3	Confident	128 Å²	128	100.3 Å²	100.3	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-40.2	-179.6	-69.5	-54.7	0	0	0	112.4	Q109 E110 L115 M116 E117	Q109-F113 HydrophobicContact CB-CD2 4.34Å; Q109-F113 HydrophobicContact CB-CE2 4.08Å; Q109-F113 WeakPolarHBondContact O-CD2 3.37Å; Q109-F113 WeakPolarHBondContact O-CG 3.01Å; Q109-F113 PolarHBondContact O-N 3.4Å; E110-F113 PolarHBondContact O-N 3.18Å; F113-L115 VanDerWaalsContact C-N 3.33Å; F113-L115 PolarHBondContact O-N 2.83Å; F113-M116 PolarHBondContact O-N 3.28Å; F113-E117 WeakPolarHBondContact O-CB 3.43Å; F113-E117 PolarHBondContact O-N 2.9Å
114	N	95.2	Very high	89.9	Confident	98 Å²	98	99 Å²	99	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.6	-72.5	-24.9	0	0	0	112.2	E110 Y112 A118	E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 PolarHBondContact O-N 3.34Å; E110-N114 PolarHBondContact O-ND2 3.42Å; Y112-N114 PolarHBondContact O-N 3.09Å; N114-A118 WeakPolarHBondContact O-CB 3.46Å; N114-A118 PolarHBondContact O-N 3.19Å
115	L	93.6	Very high	90.7	Very high	120 Å²	120	100.1 Å²	100.1	63%	0.628	49%	0.49	S	S	*	.	H	α-helix	trans	-65	-41.8	175.9	-70.6	173.1	0	0	0	111.9	Q111 Y112 F113 K119	Q111-L115 WeakPolarHBondContact O-CG 3.3Å; Q111-L115 PolarHBondContact O-N 2.99Å; Y112-L115 PolarHBondContact O-N 3.49Å; F113-L115 VanDerWaalsContact C-N 3.33Å; F113-L115 PolarHBondContact O-N 2.83Å; L115-K119 WeakPolarHBondContact O-CB 3.37Å; L115-K119 PolarHBondContact O-N 3.23Å; L115-K119 VanDerWaalsContact O-N 3.11Å
116	M	93.7	Very high	91.2	Very high	75 Å²	75	95.6 Å²	95.6	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-44.1	178.6	-69.5	-55.2	103.7	0	0	112	Y112 F113 A118 K119 E120	Y112-M116 HydrophobicContact CD1-CG 4.42Å; Y112-M116 HydrophobicContact CE1-CG 3.97Å; Y112-M116 HydrophobicContact CE2-CG 4.17Å; Y112-M116 WeakPolarHBondContact O-CG 3.41Å; Y112-M116 PolarHBondContact O-N 2.87Å; Y112-M116 VanDerWaalsContact O-N 3.09Å; F113-M116 PolarHBondContact O-N 3.28Å; M116-A118 PolarHBondContact O-N 3.5Å; M116-K119 WeakPolarHBondContact O-CB 3.39Å; M116-K119 PolarHBondContact O-N 3.29Å; M116-E120 PolarHBondContact O-N 3.03Å
117	E	94.9	Very high	91.7	Very high	94 Å²	94	94.4 Å²	94.4	44%	0.439	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-42.4	178.7	-161.9	-156.2	-178.9	0	0	111.1	F113 K119 E120 K121	F113-E117 WeakPolarHBondContact O-CB 3.43Å; F113-E117 PolarHBondContact O-N 2.9Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 3.11Å; E117-K121 VanDerWaalsContact CD-CE 3.46Å; E117-K121 HydrophobicContact CG-CD 4.4Å; E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 VanDerWaalsContact O-CG 3.26Å; E117-K121 WeakPolarHBondContact O-CG 3.44Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.89Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 IonicContact OE2-NZ 3.66Å; E117-K121 PolarHBondContact OE2-NZ 2.82Å
118	A	94.9	Very high	91.7	Very high	50 Å²	50	97.8 Å²	97.8	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-41.4	174.6	0	0	0	0	0	112.1	N114 M116 L122	N114-A118 WeakPolarHBondContact O-CB 3.46Å; N114-A118 PolarHBondContact O-N 3.19Å; M116-A118 PolarHBondContact O-N 3.5Å; A118-L122 WeakPolarHBondContact O-CG 3.45Å; A118-L122 PolarHBondContact O-N 3.39Å
119	K	94.1	Very high	91.9	Very high	119 Å²	119	94.4 Å²	94.4	52%	0.517	46%	0.461	S	S	.	.	H	α-helix	trans	-64.3	-46.4	175.6	-175.6	-178.6	177.2	-175.2	0	111.5	L115 M116 E117 K121 L122 E123	L115-K119 WeakPolarHBondContact O-CB 3.37Å; L115-K119 PolarHBondContact O-N 3.23Å; L115-K119 VanDerWaalsContact O-N 3.11Å; M116-K119 WeakPolarHBondContact O-CB 3.39Å; M116-K119 PolarHBondContact O-N 3.29Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 3.46Å; K119-K121 PolarHBondContact O-N 2.72Å; K119-L122 PolarHBondContact O-N 3.17Å; K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 3.04Å
120	E	92.3	Very high	92.2	Very high	127 Å²	127	93.8 Å²	93.8	59%	0.593	46%	0.456	S	S	*	.	H	α-helix	trans	-62.7	-42.1	179.5	-174.2	178.8	179.4	0	0	112.2	M116 E117 L122 E123 T124	M116-E120 PolarHBondContact O-N 3.03Å; E117-E120 PolarHBondContact O-N 3.11Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 2.81Å; E120-E123 PolarHBondContact O-N 3.27Å; E120-T124 WeakPolarHBondContact O-CB 3.26Å; E120-T124 PolarHBondContact O-N 3.06Å; E120-T124 PolarHBondContact O-OG1 3.31Å
121	K	93.1	Very high	92.3	Very high	118 Å²	118	92.1 Å²	92.1	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-55.2	-46.4	174.4	-76.3	168	179.2	165.2	0	111.4	E117 K119 H125	E117-K121 VanDerWaalsContact CD-CE 3.46Å; E117-K121 HydrophobicContact CG-CD 4.4Å; E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 VanDerWaalsContact O-CG 3.26Å; E117-K121 WeakPolarHBondContact O-CG 3.44Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.89Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 IonicContact OE2-NZ 3.66Å; E117-K121 PolarHBondContact OE2-NZ 2.82Å; K119-K121 PolarHBondContact O-N 2.72Å; K121-H125 VanDerWaalsContact O-CB 3.32Å; K121-H125 WeakPolarHBondContact O-CB 3.44Å; K121-H125 PolarHBondContact O-N 2.87Å
122	L	92.5	Very high	92.4	Very high	123 Å²	123	88.1 Å²	88.1	64%	0.644	43%	0.431	S	S	*	.	H	α-helix	trans	-66.5	-41.8	177.9	-69.1	174.4	0	0	0	112.7	A118 K119 E120 A126	A118-L122 WeakPolarHBondContact O-CG 3.45Å; A118-L122 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 3.17Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 2.81Å; L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.12Å; L122-A126 PolarHBondContact O-N 3.02Å
123	E	90.5	Very high	92.5	Very high	74 Å²	74	85.3 Å²	85.3	35%	0.346	43%	0.429	S	S	.	.	H	α-helix	trans	-67.7	-40	179.4	-67.7	-161.8	161.4	0	0	112.6	K119 E120 A126 S127 K205	K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 3.04Å; E120-E123 PolarHBondContact O-N 3.27Å; E123-A126 PolarHBondContact O-N 3.47Å; E123-S127 WeakPolarHBondContact O-CB 3.34Å; E123-S127 PolarHBondContact O-N 2.71Å; E123-S127 PolarHBondContact O-OG 2.92Å; E123-K205 IonicContact OE1-NZ 2.72Å; E123-K205 PolarHBondContact OE1-NZ 3.26Å; E123-K205 IonicContact OE2-NZ 3.77Å; E123-K205 PolarHBondContact OE2-NZ 3.22Å
124	T	89.5	Confident	92.5	Very high	61 Å²	61	85.4 Å²	85.4	37%	0.374	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-48.5	175.8	-60.7	0	0	0	0	110.3	E120 A126 S127 Q128	E120-T124 WeakPolarHBondContact O-CB 3.26Å; E120-T124 PolarHBondContact O-N 3.06Å; E120-T124 PolarHBondContact O-OG1 3.31Å; T124-A126 PolarHBondContact O-N 2.93Å; T124-S127 WeakPolarHBondContact O-CB 3.39Å; T124-S127 PolarHBondContact O-N 3.41Å; T124-S127 VanDerWaalsContact O-N 3.13Å; T124-Q128 WeakPolarHBondContact O-CG 3.43Å; T124-Q128 PolarHBondContact O-N 3.5Å
125	H	90.7	Very high	92.5	Very high	103 Å²	103	82 Å²	82	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-45.7	176.7	-176.1	-113.9	0	0	0	111.8	K121 S127 Q128 L129	K121-H125 VanDerWaalsContact O-CB 3.32Å; K121-H125 WeakPolarHBondContact O-CB 3.44Å; K121-H125 PolarHBondContact O-N 2.87Å; H125-S127 PolarHBondContact O-N 3.3Å; H125-Q128 PolarHBondContact O-N 3.43Å; H125-L129 WeakPolarHBondContact CE1-CD1 3.41Å; H125-L129 WeakPolarHBondContact O-CG 3.36Å; H125-L129 PolarHBondContact O-N 3.19Å
126	A	90.2	Very high	92.6	Very high	18 Å²	18	81.7 Å²	81.7	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-27.8	176.5	0	0	0	0	0	113.4	L122 E123 T124 Q128 M204 K205	L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.12Å; L122-A126 PolarHBondContact O-N 3.02Å; E123-A126 PolarHBondContact O-N 3.47Å; T124-A126 PolarHBondContact O-N 2.93Å; A126-Q128 VanDerWaalsContact C-N 3.32Å; A126-M204 WeakPolarHBondContact O-CB 3.3Å; A126-M204 PolarHBondContact O-N 2.9Å; A126-K205 HydrophobicContact CB-CB 4.13Å; A126-K205 PolarHBondContact O-N 3.12Å
127	S	87.9	Confident	92.7	Very high	19 Å²	19	78.1 Å²	78.1	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-79.5	-16.3	176.1	-56.8	0	0	0	0	113.1	E123 T124 H125 A203	E123-S127 WeakPolarHBondContact O-CB 3.34Å; E123-S127 PolarHBondContact O-N 2.71Å; E123-S127 PolarHBondContact O-OG 2.92Å; T124-S127 WeakPolarHBondContact O-CB 3.39Å; T124-S127 PolarHBondContact O-N 3.41Å; T124-S127 VanDerWaalsContact O-N 3.13Å; H125-S127 PolarHBondContact O-N 3.3Å; S127-A203 WeakPolarHBondContact O-CB 3.36Å
128	Q	88.3	Confident	92.8	Very high	109 Å²	109	74.9 Å²	74.9	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-98.2	-25.6	178	-68	171.8	-4.6	0	0	112.6	T124 H125 A126 F130	T124-Q128 WeakPolarHBondContact O-CG 3.43Å; T124-Q128 PolarHBondContact O-N 3.5Å; H125-Q128 PolarHBondContact O-N 3.43Å; A126-Q128 VanDerWaalsContact C-N 3.32Å; Q128-F130 WeakPolarHBondContact O-CD2 3.49Å; Q128-F130 WeakPolarHBondContact O-CE2 3.32Å; Q128-F130 PolarHBondContact O-N 2.86Å
129	L	91.3	Very high	92.9	Very high	47 Å²	47	73.8 Å²	73.8	25%	0.246	38%	0.378	C	S	.	.			trans	-73.9	111.3	-179.8	-73.3	179.3	0	0	0	112.4	H125 A203 M204	H125-L129 WeakPolarHBondContact CE1-CD1 3.41Å; H125-L129 WeakPolarHBondContact O-CG 3.36Å; H125-L129 PolarHBondContact O-N 3.19Å; L129-A203 CarbonylContact O-C 3.6Å; L129-A203 WeakPolarHBondContact O-CA 3.35Å; L129-M204 HydrophobicContact CB-CB 4.49Å; L129-M204 PolarHBondContact O-N 2.92Å
130	F	92.8	Very high	92.9	Very high	103 Å²	103	68.1 Å²	68.1	45%	0.452	35%	0.353	S	S	.	.	S	Bend	trans	-89.3	-21.5	172.1	-70.6	-92.4	0	0	0	113.3	Q128 F170 R201 V202 A203	Q128-F130 WeakPolarHBondContact O-CD2 3.49Å; Q128-F130 WeakPolarHBondContact O-CE2 3.32Å; Q128-F130 PolarHBondContact O-N 2.86Å; F130-F170 WeakPolarHBondContact O-CD2 3.36Å; F130-F170 PolarHBondContact O-N 2.87Å; F130-R201 HydrophobicContact CD1-CG 4.27Å; F130-V202 VanDerWaalsContact CD1-C 3.4Å; F130-V202 WeakPolarHBondContact CD1-O 3.37Å; F130-A203 HydrophobicContact CE1-CB 4.32Å; F130-A203 HydrophobicContact CZ-CB 4.37Å
131	E	93.8	Very high	93.1	Very high	83 Å²	83	69.2 Å²	69.2	39%	0.388	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.3	176.3	60	-180	-155.7	0	0	111.5	T167 K168 R169	E131-T167 HydrophobicContact CB-CG2 3.81Å; E131-T167 HydrophobicContact CG-CG2 4.09Å; E131-K168 CarbonylContact C-O 3.53Å; E131-K168 WeakPolarHBondContact CA-O 3.2Å; E131-R169 HydrophobicContact CB-CG 3.98Å; E131-R169 IonicContact OE2-CZ 3.39Å; E131-R169 IonicContact OE2-NE 2.9Å; E131-R169 PolarHBondContact OE2-NE 3.5Å; E131-R169 IonicContact OE2-NH2 2.81Å
132	I	94.6	Very high	93.1	Very high	47 Å²	47	70.7 Å²	70.7	24%	0.241	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	107.3	175	-52.1	179.7	0	0	0	107.3	C135 T167 K168 F170 M204	I132-C135 WeakPolarHBondContact CG2-SG 3.44Å; I132-C135 PolarHBondContact O-SG 3.24Å; I132-T167 CarbonylContact O-C 3.57Å; I132-T167 WeakPolarHBondContact O-CA 3.41Å; I132-K168 HydrophobicContact CB-CB 4.26Å; I132-K168 HydrophobicContact CD1-CD 4.47Å; I132-K168 PolarHBondContact N-O 3.48Å; I132-K168 PolarHBondContact O-N 3.29Å; I132-F170 HydrophobicContact CD1-CE2 4.16Å; I132-F170 HydrophobicContact CD1-CZ 3.72Å; I132-F170 HydrophobicContact CG1-CE2 3.92Å; I132-F170 HydrophobicContact CG1-CZ 3.97Å; I132-M204 HydrophobicContact CD1-CE 4.3Å; I132-M204 HydrophobicContact CD1-SD 3.84Å
133	P	94.6	Very high	93.2	Very high	75 Å²	75	67.2 Å²	67.2	49%	0.487	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	163.7	176.4	29.7	-34	0	0	0	111.3	C135	P133-C135 VanDerWaalsContact C-N 3.28Å; P133-C135 PolarHBondContact O-N 3.18Å; P133-C135 VanDerWaalsContact O-N 3.15Å
134	N	94.8	Very high	93.2	Very high	131 Å²	131	69.8 Å²	69.8	70%	0.701	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	31.2	168.9	-55.3	-35	0	0	0	115.8
135	C	94.1	Very high	93.4	Very high	26 Å²	26	68.9 Å²	68.9	18%	0.176	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.5	174	-66.2	0	0	0	0	110.5	I132 P133 V137 T165 A166	I132-C135 WeakPolarHBondContact CG2-SG 3.44Å; I132-C135 PolarHBondContact O-SG 3.24Å; P133-C135 VanDerWaalsContact C-N 3.28Å; P133-C135 PolarHBondContact O-N 3.18Å; P133-C135 VanDerWaalsContact O-N 3.15Å; C135-V137 HydrophobicContact CB-CG1 4.48Å; C135-V137 PolarHBondContact O-N 3.46Å; C135-T165 CarbonylContact O-C 3.56Å; C135-T165 WeakPolarHBondContact O-CA 3.44Å; C135-A166 WeakPolarHBondContact CB-O 3.45Å; C135-A166 PolarHBondContact N-O 2.85Å; C135-A166 PolarHBondContact O-N 3.03Å
136	T	96.3	Very high	93.5	Very high	113 Å²	113	66.3 Å²	66.3	69%	0.693	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.9	169.6	52.4	0	0	0	0	109.7
137	V	96.3	Very high	93.7	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.4	-179.7	-61.8	0	0	0	0	110.8	C135 T146 K163 T164 A166 Y183	C135-V137 HydrophobicContact CB-CG1 4.48Å; C135-V137 PolarHBondContact O-N 3.46Å; V137-T146 HydrophobicContact CB-CG2 3.82Å; V137-T146 HydrophobicContact CG1-CG2 4.49Å; V137-T146 HydrophobicContact CG2-CG2 3.61Å; V137-K163 CarbonylContact O-C 3.56Å; V137-K163 WeakPolarHBondContact O-CA 3.32Å; V137-T164 VanDerWaalsContact CG2-O 3.24Å; V137-T164 WeakPolarHBondContact CG2-O 3.25Å; V137-T164 PolarHBondContact N-O 3Å; V137-T164 PolarHBondContact O-N 3.02Å; V137-T164 VanDerWaalsContact O-O 3.13Å; V137-A166 HydrophobicContact CG1-CB 4.21Å; V137-A166 HydrophobicContact CG2-CB 3.59Å; V137-Y183 HydrophobicContact CG1-CD1 3.58Å; V137-Y183 HydrophobicContact CG1-CE1 3.21Å; V137-Y183 HydrophobicContact CG1-CE2 4.31Å; V137-Y183 HydrophobicContact CG1-CG 4.24Å
138	I	96.2	Very high	94	Very high	26 Å²	26	74.2 Å²	74.2	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.6	179.6	-62.7	173.7	0	0	0	107.5	T146 W147 R150 V161 S162 K163	I138-T146 WeakPolarHBondContact O-CA 3.11Å; I138-W147 PolarHBondContact N-O 2.66Å; I138-W147 PolarHBondContact O-N 3.23Å; I138-R150 HydrophobicContact CD1-CB 4.35Å; I138-V161 HydrophobicContact CG2-CB 3.41Å; I138-V161 VanDerWaalsContact CG2-CB 3.41Å; I138-V161 HydrophobicContact CG2-CG1 3.87Å; I138-V161 HydrophobicContact CG2-CG2 3.44Å; I138-V161 VanDerWaalsContact CG2-CG2 3.44Å; I138-S162 CarbonylContact C-O 3.6Å; I138-S162 WeakPolarHBondContact CA-O 3.2Å; I138-K163 HydrophobicContact CG1-CG 4.32Å
139	T	95.9	Very high	94.2	Very high	26 Å²	26	71.3 Å²	71.3	16%	0.16	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.9	173.7	-57.9	0	0	0	0	109.5	Y145 T146 V161 S162	T139-Y145 CarbonylContact C-O 3.58Å; T139-Y145 VanDerWaalsContact CA-O 3.27Å; T139-Y145 WeakPolarHBondContact CA-O 3.16Å; T139-T146 WeakPolarHBondContact OG1-CG2 3.49Å; T139-T146 PolarHBondContact OG1-OG1 2.89Å; T139-V161 CarbonylContact O-C 3.52Å; T139-V161 VanDerWaalsContact O-CA 3.23Å; T139-V161 WeakPolarHBondContact O-CA 3.44Å; T139-V161 WeakPolarHBondContact O-CB 3.12Å; T139-S162 PolarHBondContact N-O 2.91Å; T139-S162 PolarHBondContact O-N 3.38Å; T139-S162 PolarHBondContact O-OG 3.28Å
140	C	96	Very high	94.3	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.1	177.7	-179.2	0	0	0	0	110.6	K142 C143 D144 Y145 H159 V161	C140-K142 VanDerWaalsContact C-N 3.35Å; C140-K142 PolarHBondContact O-N 3.42Å; C140-C143 HydrophobicContact CB-CB 4.22Å; C140-D144 WeakPolarHBondContact O-CA 3.22Å; C140-D144 PolarHBondContact O-N 2.87Å; C140-Y145 HydrophobicContact CB-CD1 3.68Å; C140-Y145 HydrophobicContact CB-CE1 3.26Å; C140-Y145 PolarHBondContact N-O 3.38Å; C140-H159 VanDerWaalsContact SG-CB 3.52Å; C140-V161 HydrophobicContact CB-CG1 4.05Å
141	K	94.7	Very high	94.4	Very high	150 Å²	150	71.2 Å²	71.2	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.7	-177.7	-63.9	-171.6	178.4	-175.7	0	113.3	V160	K141-V160 HydrophobicContact CD-CG1 4.01Å; K141-V160 PolarHBondContact N-O 2.81Å
142	K	94.6	Very high	94.5	Very high	150 Å²	150	72.8 Å²	72.8	65%	0.652	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-35.4	-178.3	-177.7	166.8	164.7	-159.2	0	113.4	C140 H159	C140-K142 VanDerWaalsContact C-N 3.35Å; C140-K142 PolarHBondContact O-N 3.42Å; K142-H159 HydrophobicContact CB-CB 4.49Å; K142-H159 WeakPolarHBondContact CD-NE2 3.24Å; K142-H159 WeakPolarHBondContact CE-NE2 3.4Å; K142-H159 PolarHBondContact NZ-NE2 2.85Å; K142-H159 VanDerWaalsContact NZ-NE2 3.12Å
143	C	93.2	Very high	94.5	Very high	50 Å²	50	76 Å²	76	34%	0.338	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-6.4	-177.5	-67.4	0	0	0	0	114	C140 Y145 H159	C140-C143 HydrophobicContact CB-CB 4.22Å; C143-Y145 VanDerWaalsContact C-N 3.35Å; C143-Y145 HydrophobicContact CB-CD1 3.57Å; C143-Y145 HydrophobicContact CB-CE1 3.95Å; C143-Y145 PolarHBondContact O-N 3.19Å; C143-H159 PolarHBondContact SG-CE1 3.01Å; C143-H159 PolarHBondContact SG-ND1 3Å
144	D	91.8	Very high	94.5	Very high	127 Å²	127	72.4 Å²	72.4	68%	0.679	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	53.4	-176.7	-165.9	35.3	0	0	0	113.9	C140	C140-D144 WeakPolarHBondContact O-CA 3.22Å; C140-D144 PolarHBondContact O-N 2.87Å
145	Y	92.3	Very high	94.6	Very high	42 Å²	42	72.3 Å²	72.3	17%	0.165	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.4	171.8	81.5	-88.1	0	0	0	110.6	T139 C140 C143 W147 S151 C154	T139-Y145 CarbonylContact C-O 3.58Å; T139-Y145 VanDerWaalsContact CA-O 3.27Å; T139-Y145 WeakPolarHBondContact CA-O 3.16Å; C140-Y145 HydrophobicContact CB-CD1 3.68Å; C140-Y145 HydrophobicContact CB-CE1 3.26Å; C140-Y145 PolarHBondContact N-O 3.38Å; C143-Y145 VanDerWaalsContact C-N 3.35Å; C143-Y145 HydrophobicContact CB-CD1 3.57Å; C143-Y145 HydrophobicContact CB-CE1 3.95Å; C143-Y145 PolarHBondContact O-N 3.19Å; Y145-W147 HydrophobicContact CD2-CB 3.93Å; Y145-W147 HydrophobicContact CE2-CB 3.78Å; Y145-S151 PolarHBondContact OH-N 3.13Å; Y145-S151 PolarHBondContact OH-OG 3Å; Y145-C154 WeakPolarHBondContact CE1-SG 3.32Å
146	T	94.3	Very high	94.7	Very high	50 Å²	50	80.4 Å²	80.4	31%	0.307	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	175.6	-54.5	0	0	0	0	109.9	V137 I138 T139 Y183	V137-T146 HydrophobicContact CB-CG2 3.82Å; V137-T146 HydrophobicContact CG1-CG2 4.49Å; V137-T146 HydrophobicContact CG2-CG2 3.61Å; I138-T146 WeakPolarHBondContact O-CA 3.11Å; T139-T146 WeakPolarHBondContact OG1-CG2 3.49Å; T139-T146 PolarHBondContact OG1-OG1 2.89Å; T146-Y183 HydrophobicContact CG2-CD2 4.04Å; T146-Y183 HydrophobicContact CG2-CG 4.18Å
147	W	94.6	Very high	94.6	Very high	99 Å²	99	80.3 Å²	80.3	38%	0.375	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.9	-179.9	-160.3	-118.1	0	0	0	112.1	I138 Y145 S149 V181 Y183	I138-W147 PolarHBondContact N-O 2.66Å; I138-W147 PolarHBondContact O-N 3.23Å; Y145-W147 HydrophobicContact CD2-CB 3.93Å; Y145-W147 HydrophobicContact CE2-CB 3.78Å; W147-S149 PolarHBondContact O-N 3.23Å; W147-V181 HydrophobicContact CH2-CB 4.41Å; W147-V181 HydrophobicContact CZ3-CB 4.45Å; W147-Y183 AromaticContact CE3-CE2 3.85Å; W147-Y183 HydrophobicContact CE3-CE2 3.85Å; W147-Y183 HydrophobicContact CZ3-CE2 4.35Å
148	H	93.6	Very high	94.5	Very high	104 Å²	104	83.1 Å²	83.1	48%	0.481	40%	0.402	S	S	.	.	S	Bend	trans	-65.8	-24.2	176.9	66	-88.3	0	0	0	112.9	Y183	H148-Y183 WeakPolarHBondContact CB-OH 3.38Å; H148-Y183 PolarHBondContact N-OH 2.77Å
149	S	93	Very high	94.5	Very high	47 Å²	47	82.4 Å²	82.4	33%	0.329	40%	0.398	S	S	.	.	S	Bend	trans	-133.2	151.9	-178.4	53.2	0	0	0	0	111.4	W147	W147-S149 PolarHBondContact O-N 3.23Å
150	R	92.6	Very high	94.5	Very high	107 Å²	107	85.8 Å²	85.8	40%	0.404	42%	0.419	S	S	.	.			trans	-70	134	173.9	-169.5	-179.3	-64.3	171.1	3.3	108.2	I138 C154 V161	I138-R150 HydrophobicContact CD1-CB 4.35Å; R150-C154 HydrophobicContact CG-CB 4.02Å; R150-V161 HydrophobicContact CG-CG1 4.31Å
151	S	94.4	Very high	94.5	Very high	41 Å²	41	87 Å²	87	29%	0.287	43%	0.426	S	S	.	.			trans	-66.5	145.7	175.7	61.9	0	0	0	0	110.2	Y145 F153 C154 K155	Y145-S151 PolarHBondContact OH-N 3.13Å; Y145-S151 PolarHBondContact OH-OG 3Å; S151-F153 PolarHBondContact O-N 3.45Å; S151-C154 PolarHBondContact O-N 3.03Å; S151-C154 VanDerWaalsContact OG-CB 3.3Å; S151-C154 WeakPolarHBondContact OG-CB 3.44Å; S151-C154 PolarHBondContact OG-N 3.2Å; S151-C154 PolarHBondContact OG-SG 3.45Å; S151-K155 PolarHBondContact O-N 2.98Å
152	E	96	Very high	94.5	Very high	116 Å²	116	82 Å²	82	54%	0.542	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-32	176	-73.2	-56.4	126.3	0	0	112.1	K155 R156	E152-K155 PolarHBondContact O-N 3.48Å; E152-R156 WeakPolarHBondContact O-CG 3.39Å; E152-R156 PolarHBondContact O-N 3.46Å
153	F	95.4	Very high	94.5	Very high	114 Å²	114	83.3 Å²	83.3	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-61.5	-51.1	172.3	179	-101.4	0	0	0	112.2	S151 K155 R156 Q157 H159	S151-F153 PolarHBondContact O-N 3.45Å; F153-K155 VanDerWaalsContact C-N 3.27Å; F153-K155 PolarHBondContact O-N 2.86Å; F153-R156 PolarHBondContact O-N 3.01Å; F153-Q157 HydrophobicContact CD2-CG 4.37Å; F153-Q157 HydrophobicContact CE1-CG 4.3Å; F153-Q157 HydrophobicContact CE2-CG 4Å; F153-Q157 HydrophobicContact CZ-CG 3.96Å; F153-Q157 WeakPolarHBondContact O-CB 3.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.26Å; F153-H159 AromaticContact CE1-CE1 3.83Å
154	C	95.3	Very high	94.7	Very high	1 Å²	1	84 Å²	84	1%	0.007	42%	0.418	C	S	.	.	H	α-helix	trans	-68.6	-27.6	179.3	-70.8	0	0	0	0	113	Y145 R150 S151 G158 H159	Y145-C154 WeakPolarHBondContact CE1-SG 3.32Å; R150-C154 HydrophobicContact CG-CB 4.02Å; S151-C154 PolarHBondContact O-N 3.03Å; S151-C154 VanDerWaalsContact OG-CB 3.3Å; S151-C154 WeakPolarHBondContact OG-CB 3.44Å; S151-C154 PolarHBondContact OG-N 3.2Å; S151-C154 PolarHBondContact OG-SG 3.45Å; C154-G158 PolarHBondContact O-N 3.46Å; C154-H159 HydrophobicContact CB-CB 4.05Å; C154-H159 PolarHBondContact O-N 3.47Å; C154-H159 PolarHBondContact SG-ND1 3.02Å
155	K	95.4	Very high	94.9	Very high	129 Å²	129	82.8 Å²	82.8	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-66.8	-47.8	173.5	-169.4	-179.6	177.7	-173	0	110.9	S151 E152 F153 G158	S151-K155 PolarHBondContact O-N 2.98Å; E152-K155 PolarHBondContact O-N 3.48Å; F153-K155 VanDerWaalsContact C-N 3.27Å; F153-K155 PolarHBondContact O-N 2.86Å; K155-G158 PolarHBondContact O-N 2.8Å
156	R	96.7	Very high	95	Very high	195 Å²	195	81.9 Å²	81.9	74%	0.736	42%	0.417	S	S	*	.	H	α-helix	trans	-65.5	-39.1	177.5	-74.1	-174.3	-73.8	-176.8	-1.9	113.2	E152 F153 G158	E152-R156 WeakPolarHBondContact O-CG 3.39Å; E152-R156 PolarHBondContact O-N 3.46Å; F153-R156 PolarHBondContact O-N 3.01Å; R156-G158 VanDerWaalsContact C-N 3.3Å; R156-G158 PolarHBondContact O-N 2.84Å
157	Q	95.1	Very high	95.1	Very high	112 Å²	112	81.1 Å²	81.1	52%	0.523	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	0.6	-179.1	-65.8	-65.6	-30.3	0	0	114	F153 H159	F153-Q157 HydrophobicContact CD2-CG 4.37Å; F153-Q157 HydrophobicContact CE1-CG 4.3Å; F153-Q157 HydrophobicContact CE2-CG 4Å; F153-Q157 HydrophobicContact CZ-CG 3.96Å; F153-Q157 WeakPolarHBondContact O-CB 3.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.26Å; Q157-H159 VanDerWaalsContact C-N 3.3Å; Q157-H159 WeakPolarHBondContact CB-NE2 3.34Å; Q157-H159 PolarHBondContact O-CD2 3.38Å; Q157-H159 PolarHBondContact O-N 2.93Å
158	G	94.2	Very high	95.2	Very high	59 Å²	59	78.8 Å²	78.8	61%	0.608	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	31.5	178.2	0	0	0	0	0	114.4	C154 K155 R156 V160	C154-G158 PolarHBondContact O-N 3.46Å; K155-G158 PolarHBondContact O-N 2.8Å; R156-G158 VanDerWaalsContact C-N 3.3Å; R156-G158 PolarHBondContact O-N 2.84Å; G158-V160 PolarHBondContact O-N 2.78Å
159	H	96.2	Very high	95.3	Very high	12 Å²	12	75.9 Å²	75.9	6%	0.056	39%	0.389	C	S	.	.			trans	-67.1	137.7	-177.8	-67	178.1	0	0	0	112.1	C140 K142 C143 F153 C154 Q157 V161	C140-H159 VanDerWaalsContact SG-CB 3.52Å; K142-H159 HydrophobicContact CB-CB 4.49Å; K142-H159 WeakPolarHBondContact CD-NE2 3.24Å; K142-H159 WeakPolarHBondContact CE-NE2 3.4Å; K142-H159 PolarHBondContact NZ-NE2 2.85Å; K142-H159 VanDerWaalsContact NZ-NE2 3.12Å; C143-H159 PolarHBondContact SG-CE1 3.01Å; C143-H159 PolarHBondContact SG-ND1 3Å; F153-H159 AromaticContact CE1-CE1 3.83Å; C154-H159 HydrophobicContact CB-CB 4.05Å; C154-H159 PolarHBondContact O-N 3.47Å; C154-H159 PolarHBondContact SG-ND1 3.02Å; Q157-H159 VanDerWaalsContact C-N 3.3Å; Q157-H159 WeakPolarHBondContact CB-NE2 3.34Å; Q157-H159 PolarHBondContact O-CD2 3.38Å; Q157-H159 PolarHBondContact O-N 2.93Å; H159-V161 PolarHBondContact O-N 3.43Å
160	V	95	Very high	95.5	Very high	97 Å²	97	74.2 Å²	74.2	59%	0.588	38%	0.376	S	S	*	.			trans	-67.7	128.8	173.6	-175.5	0	0	0	0	109.6	K141 G158	K141-V160 HydrophobicContact CD-CG1 4.01Å; K141-V160 PolarHBondContact N-O 2.81Å; G158-V160 PolarHBondContact O-N 2.78Å
161	V	95.5	Very high	95.7	Very high	26 Å²	26	69.1 Å²	69.1	16%	0.158	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	178	-49.9	0	0	0	0	111.1	I138 T139 C140 R150 H159	I138-V161 HydrophobicContact CG2-CB 3.41Å; I138-V161 VanDerWaalsContact CG2-CB 3.41Å; I138-V161 HydrophobicContact CG2-CG1 3.87Å; I138-V161 HydrophobicContact CG2-CG2 3.44Å; I138-V161 VanDerWaalsContact CG2-CG2 3.44Å; T139-V161 CarbonylContact O-C 3.52Å; T139-V161 VanDerWaalsContact O-CA 3.23Å; T139-V161 WeakPolarHBondContact O-CA 3.44Å; T139-V161 WeakPolarHBondContact O-CB 3.12Å; C140-V161 HydrophobicContact CB-CG1 4.05Å; R150-V161 HydrophobicContact CG-CG1 4.31Å; H159-V161 PolarHBondContact O-N 3.43Å
162	S	95.2	Very high	95.7	Very high	43 Å²	43	69.6 Å²	69.6	30%	0.301	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.3	170.1	52.6	0	0	0	0	110.4	I138 T139	I138-S162 CarbonylContact C-O 3.6Å; I138-S162 WeakPolarHBondContact CA-O 3.2Å; T139-S162 PolarHBondContact N-O 2.91Å; T139-S162 PolarHBondContact O-N 3.38Å; T139-S162 PolarHBondContact O-OG 3.28Å
163	K	95.8	Very high	95.8	Very high	179 Å²	179	64.1 Å²	64.1	78%	0.778	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.4	170.3	-68.6	-179.4	-179.6	178.3	0	108.5	V137 I138	V137-K163 CarbonylContact O-C 3.56Å; V137-K163 WeakPolarHBondContact O-CA 3.32Å; I138-K163 HydrophobicContact CG1-CG 4.32Å
164	T	95.8	Very high	95.8	Very high	65 Å²	65	64.8 Å²	64.8	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.2	177.5	53.8	0	0	0	0	109.8	V137	V137-T164 VanDerWaalsContact CG2-O 3.24Å; V137-T164 WeakPolarHBondContact CG2-O 3.25Å; V137-T164 PolarHBondContact N-O 3Å; V137-T164 PolarHBondContact O-N 3.02Å; V137-T164 VanDerWaalsContact O-O 3.13Å
165	T	96.2	Very high	95.7	Very high	101 Å²	101	68.4 Å²	68.4	62%	0.62	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.9	169.7	48.3	0	0	0	0	109.6	C135	C135-T165 CarbonylContact O-C 3.56Å; C135-T165 WeakPolarHBondContact O-CA 3.44Å
166	A	95.6	Very high	95.7	Very high	23 Å²	23	64.3 Å²	64.3	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.8	179.3	0	0	0	0	0	112	C135 V137 Y183	C135-A166 WeakPolarHBondContact CB-O 3.45Å; C135-A166 PolarHBondContact N-O 2.85Å; C135-A166 PolarHBondContact O-N 3.03Å; V137-A166 HydrophobicContact CG1-CB 4.21Å; V137-A166 HydrophobicContact CG2-CB 3.59Å; A166-Y183 HydrophobicContact CB-CD1 4.11Å
167	T	96	Very high	95.5	Very high	34 Å²	34	56.5 Å²	56.5	21%	0.209	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	175	-54.9	0	0	0	0	110.3	E131 I132 R169 Y183	E131-T167 HydrophobicContact CB-CG2 3.81Å; E131-T167 HydrophobicContact CG-CG2 4.09Å; I132-T167 CarbonylContact O-C 3.57Å; I132-T167 WeakPolarHBondContact O-CA 3.41Å; T167-R169 HydrophobicContact CG2-CG 4.24Å; T167-Y183 WeakPolarHBondContact O-CA 3.4Å
168	K	96	Very high	95.5	Very high	50 Å²	50	56.1 Å²	56.1	22%	0.217	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.6	177	-172.4	-175.2	-176.8	-174.1	0	109.7	E131 I132 F170 V181 Y183	E131-K168 CarbonylContact C-O 3.53Å; E131-K168 WeakPolarHBondContact CA-O 3.2Å; I132-K168 HydrophobicContact CB-CB 4.26Å; I132-K168 HydrophobicContact CD1-CD 4.47Å; I132-K168 PolarHBondContact N-O 3.48Å; I132-K168 PolarHBondContact O-N 3.29Å; K168-F170 HydrophobicContact CD-CE1 4.25Å; K168-F170 HydrophobicContact CD-CZ 4.18Å; K168-F170 HydrophobicContact CG-CZ 4.45Å; K168-V181 HydrophobicContact CD-CG1 4.12Å; K168-V181 HydrophobicContact CG-CG1 3.44Å; K168-V181 VanDerWaalsContact CG-CG1 3.44Å; K168-Y183 HydrophobicContact CB-CD1 4.21Å; K168-Y183 HydrophobicContact CB-CE1 3.81Å; K168-Y183 HydrophobicContact CG-CE1 3.91Å
169	R	96.2	Very high	95.5	Very high	43 Å²	43	57 Å²	57	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.3	-178.3	-60.4	-175.1	-180	90.1	1.1	111.3	E131 T167 F171 V181 A182 Y183 A184	E131-R169 HydrophobicContact CB-CG 3.98Å; E131-R169 IonicContact OE2-CZ 3.39Å; E131-R169 IonicContact OE2-NE 2.9Å; E131-R169 PolarHBondContact OE2-NE 3.5Å; E131-R169 IonicContact OE2-NH2 2.81Å; T167-R169 HydrophobicContact CG2-CG 4.24Å; R169-F171 HydrophobicContact CB-CD2 4.44Å; R169-F171 HydrophobicContact CB-CE2 3.54Å; R169-F171 HydrophobicContact CB-CZ 3.97Å; R169-V181 WeakPolarHBondContact O-CA 3.41Å; R169-A182 PolarHBondContact N-O 3.04Å; R169-A182 PolarHBondContact O-N 2.77Å; R169-Y183 PolarHBondContact NH1-O 2.92Å; R169-A184 PolarHBondContact NH1-O 3.44Å; R169-A184 VanDerWaalsContact NH1-O 3.17Å
170	F	96.5	Very high	95.5	Very high	11 Å²	11	58.2 Å²	58.2	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.7	-177	-52.2	-80	0	0	0	111.7	F130 I132 K168 V181 V202 M204	F130-F170 WeakPolarHBondContact O-CD2 3.36Å; F130-F170 PolarHBondContact O-N 2.87Å; I132-F170 HydrophobicContact CD1-CE2 4.16Å; I132-F170 HydrophobicContact CD1-CZ 3.72Å; I132-F170 HydrophobicContact CG1-CE2 3.92Å; I132-F170 HydrophobicContact CG1-CZ 3.97Å; K168-F170 HydrophobicContact CD-CE1 4.25Å; K168-F170 HydrophobicContact CD-CZ 4.18Å; K168-F170 HydrophobicContact CG-CZ 4.45Å; F170-V181 HydrophobicContact CD1-CG2 3.9Å; F170-V181 HydrophobicContact CE1-CG2 4.19Å; F170-V202 HydrophobicContact CB-CG2 4.1Å; F170-V202 WeakPolarHBondContact CB-O 3.21Å; F170-V202 PolarHBondContact O-N 3.37Å; F170-M204 HydrophobicContact CD2-CB 3.83Å; F170-M204 HydrophobicContact CD2-CG 4.47Å; F170-M204 HydrophobicContact CE1-CB 4.25Å; F170-M204 HydrophobicContact CE1-CG 3.87Å; F170-M204 HydrophobicContact CE2-CB 3.48Å; F170-M204 VanDerWaalsContact CE2-CB 3.48Å; F170-M204 HydrophobicContact CE2-CG 3.82Å; F170-M204 HydrophobicContact CE2-SD 4.38Å; F170-M204 HydrophobicContact CG-CB 4.37Å; F170-M204 HydrophobicContact CZ-CB 3.71Å; F170-M204 HydrophobicContact CZ-CG 3.48Å; F170-M204 VanDerWaalsContact CZ-CG 3.48Å; F170-M204 HydrophobicContact CZ-SD 3.96Å
171	F	96.5	Very high	95.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.5	-177.5	-63.2	-84.7	0	0	0	111.5	R169 R179 T180 A182 M185 Y186 P187 F199 Q200 R201	R169-F171 HydrophobicContact CB-CD2 4.44Å; R169-F171 HydrophobicContact CB-CE2 3.54Å; R169-F171 HydrophobicContact CB-CZ 3.97Å; F171-R179 CarbonylContact O-C 3.5Å; F171-R179 VanDerWaalsContact O-CA 3.32Å; F171-R179 WeakPolarHBondContact O-CA 3.47Å; F171-T180 WeakPolarHBondContact CA-O 3.43Å; F171-T180 PolarHBondContact N-O 3.2Å; F171-T180 PolarHBondContact O-N 3.3Å; F171-T180 VanDerWaalsContact O-O 3.07Å; F171-A182 HydrophobicContact CD2-CB 4.1Å; F171-A182 HydrophobicContact CE2-CB 3.84Å; F171-M185 WeakPolarHBondContact CZ-O 3.42Å; F171-Y186 HydrophobicContact CD1-CD1 4.49Å; F171-Y186 AromaticContact CE1-CD1 3.73Å; F171-Y186 HydrophobicContact CE1-CD1 3.73Å; F171-Y186 AromaticContact CE1-CE1 3.99Å; F171-Y186 HydrophobicContact CE1-CE1 3.99Å; F171-Y186 HydrophobicContact CZ-CD1 4.32Å; F171-P187 HydrophobicContact CB-CG 4.12Å; F171-P187 HydrophobicContact CD1-CG 4.3Å; F171-P187 HydrophobicContact CD2-CG 3.72Å; F171-P187 HydrophobicContact CE2-CG 4.21Å; F171-P187 HydrophobicContact CG-CG 3.78Å; F171-F199 HydrophobicContact CB-CB 4.2Å; F171-F199 HydrophobicContact CB-CD1 4.32Å; F171-F199 HydrophobicContact CD1-CB 4.21Å; F171-Q200 CarbonylContact C-O 3.5Å; F171-Q200 VanDerWaalsContact CA-O 3.24Å; F171-Q200 WeakPolarHBondContact CA-O 3.27Å; F171-R201 HydrophobicContact CD1-CB 4.48Å; F171-R201 HydrophobicContact CE1-CB 4.33Å
172	Q	95.7	Very high	95.4	Very high	51 Å²	51	54.6 Å²	54.6	24%	0.238	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.4	172	-172.3	174.9	14.7	0	0	109.2	K174 G177 F199 Q200 V202	Q172-K174 PolarHBondContact O-N 2.84Å; Q172-G177 VanDerWaalsContact CG-O 3.25Å; Q172-G177 WeakPolarHBondContact CG-O 3.37Å; Q172-G177 PolarHBondContact NE2-O 3.21Å; Q172-F199 CarbonylContact O-C 3.59Å; Q172-F199 WeakPolarHBondContact O-CA 3.3Å; Q172-Q200 PolarHBondContact N-O 3Å; Q172-Q200 PolarHBondContact O-N 3.02Å; Q172-V202 HydrophobicContact CB-CG1 3.66Å; Q172-V202 HydrophobicContact CB-CG2 4.14Å
173	C	96.9	Very high	95.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.5	174.5	-179.6	0	0	0	0	109.7	A175 C176 G177 K178 C191 F199	C173-A175 VanDerWaalsContact C-N 3.32Å; C173-A175 PolarHBondContact O-N 3.31Å; C173-C176 VanDerWaalsContact SG-SG 3.68Å; C173-G177 WeakPolarHBondContact O-CA 3.46Å; C173-G177 PolarHBondContact O-N 3.05Å; C173-K178 HydrophobicContact CB-CB 4.49Å; C173-K178 PolarHBondContact N-O 3.19Å; C173-C191 HydrophobicContact CB-CB 4.15Å; C173-F199 HydrophobicContact CB-CD1 4.19Å; C173-F199 HydrophobicContact CB-CE1 4.07Å
174	K	95.4	Very high	95.3	Very high	129 Å²	129	47.2 Å²	47.2	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.1	179.8	-67.4	-170.7	-175.7	174.4	0	112.9	Q172 E198 Q200	Q172-K174 PolarHBondContact O-N 2.84Å; K174-E198 HydrophobicContact CB-CB 4.31Å; K174-E198 HydrophobicContact CD-CB 4.26Å; K174-E198 HydrophobicContact CG-CB 4.43Å; K174-E198 PolarHBondContact N-O 3.46Å; K174-Q200 HydrophobicContact CG-CB 4.17Å
175	A	94.9	Very high	95.1	Very high	77 Å²	77	51 Å²	51	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-39.7	-175.5	0	0	0	0	0	113.7	C173 A196	C173-A175 VanDerWaalsContact C-N 3.32Å; C173-A175 PolarHBondContact O-N 3.31Å; A175-A196 HydrophobicContact CB-CB 3.87Å
176	C	95	Very high	95	Very high	43 Å²	43	52.8 Å²	52.8	29%	0.291	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-1.8	-175.4	67	0	0	0	0	115	C173 K178 C191 C194	C173-C176 VanDerWaalsContact SG-SG 3.68Å; C176-K178 PolarHBondContact O-N 3.22Å; C176-K178 VanDerWaalsContact SG-CB 3.52Å; C176-C191 PolarHBondContact SG-SG 3.31Å; C176-C194 HydrophobicContact CB-CB 4.15Å; C176-C194 PolarHBondContact SG-SG 3.07Å
177	G	92.9	Very high	95	Very high	31 Å²	31	52.8 Å²	52.8	32%	0.32	28%	0.277	S	S	.	.			trans	71.5	4.2	-177.7	0	0	0	0	0	115	Q172 C173 R179	Q172-G177 VanDerWaalsContact CG-O 3.25Å; Q172-G177 WeakPolarHBondContact CG-O 3.37Å; Q172-G177 PolarHBondContact NE2-O 3.21Å; C173-G177 WeakPolarHBondContact O-CA 3.46Å; C173-G177 PolarHBondContact O-N 3.05Å; G177-R179 PolarHBondContact O-N 3.17Å
178	K	94.9	Very high	94.8	Very high	104 Å²	104	60.1 Å²	60.1	45%	0.452	31%	0.306	S	S	.	.			trans	-68.2	126	-179.1	-170.9	68.2	171.8	-167.9	0	111.4	C173 C176	C173-K178 HydrophobicContact CB-CB 4.49Å; C173-K178 PolarHBondContact N-O 3.19Å; C176-K178 PolarHBondContact O-N 3.22Å; C176-K178 VanDerWaalsContact SG-CB 3.52Å
179	R	94.3	Very high	94.6	Very high	76 Å²	76	65.1 Å²	65.1	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.8	176.6	-60.9	-178.6	67.5	81.7	4.5	111.9	F171 G177 A203 M204 E206	F171-R179 CarbonylContact O-C 3.5Å; F171-R179 VanDerWaalsContact O-CA 3.32Å; F171-R179 WeakPolarHBondContact O-CA 3.47Å; G177-R179 PolarHBondContact O-N 3.17Å; R179-A203 PolarHBondContact NH2-O 2.95Å; R179-M204 PolarHBondContact NH2-O 3.03Å; R179-E206 WeakPolarHBondContact CD-OE1 3.44Å; R179-E206 IonicContact NH1-OE1 3.91Å; R179-E206 PolarHBondContact NH1-OE1 2.85Å
180	T	94.6	Very high	94.6	Very high	39 Å²	39	66.1 Å²	66.1	24%	0.239	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.6	178.9	-60.1	0	0	0	0	109.8	F171	F171-T180 WeakPolarHBondContact CA-O 3.43Å; F171-T180 PolarHBondContact N-O 3.2Å; F171-T180 PolarHBondContact O-N 3.3Å; F171-T180 VanDerWaalsContact O-O 3.07Å
181	V	94.8	Very high	94.6	Very high	36 Å²	36	65.6 Å²	65.6	22%	0.218	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.3	175	174.3	0	0	0	0	109	W147 K168 R169 F170	W147-V181 HydrophobicContact CH2-CB 4.41Å; W147-V181 HydrophobicContact CZ3-CB 4.45Å; K168-V181 HydrophobicContact CD-CG1 4.12Å; K168-V181 HydrophobicContact CG-CG1 3.44Å; K168-V181 VanDerWaalsContact CG-CG1 3.44Å; R169-V181 WeakPolarHBondContact O-CA 3.41Å; F170-V181 HydrophobicContact CD1-CG2 3.9Å; F170-V181 HydrophobicContact CE1-CG2 4.19Å
182	A	95	Very high	94.5	Very high	11 Å²	11	71.2 Å²	71.2	9%	0.091	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.9	170.3	0	0	0	0	0	111.5	R169 F171 P187	R169-A182 PolarHBondContact N-O 3.04Å; R169-A182 PolarHBondContact O-N 2.77Å; F171-A182 HydrophobicContact CD2-CB 4.1Å; F171-A182 HydrophobicContact CE2-CB 3.84Å; A182-P187 HydrophobicContact CB-CB 4.35Å; A182-P187 HydrophobicContact CB-CG 4.11Å
183	Y	95	Very high	94.4	Very high	28 Å²	28	74.9 Å²	74.9	11%	0.11	39%	0.388	C	S	.	.	S	Bend	trans	-98	-17.7	173.2	-61.7	-78.1	0	0	0	112.4	V137 T146 W147 H148 A166 T167 K168 R169	V137-Y183 HydrophobicContact CG1-CD1 3.58Å; V137-Y183 HydrophobicContact CG1-CE1 3.21Å; V137-Y183 HydrophobicContact CG1-CE2 4.31Å; V137-Y183 HydrophobicContact CG1-CG 4.24Å; T146-Y183 HydrophobicContact CG2-CD2 4.04Å; T146-Y183 HydrophobicContact CG2-CG 4.18Å; W147-Y183 AromaticContact CE3-CE2 3.85Å; W147-Y183 HydrophobicContact CE3-CE2 3.85Å; W147-Y183 HydrophobicContact CZ3-CE2 4.35Å; H148-Y183 WeakPolarHBondContact CB-OH 3.38Å; H148-Y183 PolarHBondContact N-OH 2.77Å; A166-Y183 HydrophobicContact CB-CD1 4.11Å; T167-Y183 WeakPolarHBondContact O-CA 3.4Å; K168-Y183 HydrophobicContact CB-CD1 4.21Å; K168-Y183 HydrophobicContact CB-CE1 3.81Å; K168-Y183 HydrophobicContact CG-CE1 3.91Å; R169-Y183 PolarHBondContact NH1-O 2.92Å
184	A	92.6	Very high	94.4	Very high	39 Å²	39	77.3 Å²	77.3	32%	0.322	41%	0.405	S	S	.	.	S	Bend	trans	-76.7	174.3	167.8	0	0	0	0	0	111	R169 Y186	R169-A184 PolarHBondContact NH1-O 3.44Å; R169-A184 VanDerWaalsContact NH1-O 3.17Å; A184-Y186 PolarHBondContact O-N 3.15Å
185	M	93.2	Very high	94.4	Very high	144 Å²	144	78 Å²	78	71%	0.709	41%	0.408	S	S	*	.	S	Bend	trans	-60.8	-33.8	176.1	-69.5	-168.9	-76.4	0	0	112.7	F171	F171-M185 WeakPolarHBondContact CZ-O 3.42Å
186	Y	94.2	Very high	94.4	Very high	138 Å²	138	75.7 Å²	75.7	54%	0.541	39%	0.389	S	S	.	.	S	Bend	trans	-142.3	156.5	174.2	-78.1	-82.3	0	0	0	110.8	F171 A184 K188	F171-Y186 HydrophobicContact CD1-CD1 4.49Å; F171-Y186 AromaticContact CE1-CD1 3.73Å; F171-Y186 HydrophobicContact CE1-CD1 3.73Å; F171-Y186 AromaticContact CE1-CE1 3.99Å; F171-Y186 HydrophobicContact CE1-CE1 3.99Å; F171-Y186 HydrophobicContact CZ-CD1 4.32Å; A184-Y186 PolarHBondContact O-N 3.15Å; Y186-K188 PolarHBondContact O-N 3.2Å
187	P	94	Very high	94.4	Very high	24 Å²	24	79 Å²	79	16%	0.156	41%	0.407	C	S	.	.			trans	-60.5	123.9	174.7	-21	33.1	0	0	0	111.6	F171 A182 F199	F171-P187 HydrophobicContact CB-CG 4.12Å; F171-P187 HydrophobicContact CD1-CG 4.3Å; F171-P187 HydrophobicContact CD2-CG 3.72Å; F171-P187 HydrophobicContact CE2-CG 4.21Å; F171-P187 HydrophobicContact CG-CG 3.78Å; A182-P187 HydrophobicContact CB-CB 4.35Å; A182-P187 HydrophobicContact CB-CG 4.11Å; P187-F199 HydrophobicContact CB-CD2 4.05Å; P187-F199 HydrophobicContact CB-CE2 3.93Å; P187-F199 HydrophobicContact CB-CZ 4.3Å; P187-F199 HydrophobicContact CG-CB 4.34Å; P187-F199 HydrophobicContact CG-CD1 4.3Å; P187-F199 HydrophobicContact CG-CD2 3.89Å; P187-F199 HydrophobicContact CG-CE2 4.22Å; P187-F199 HydrophobicContact CG-CG 3.93Å
188	K	91.9	Very high	94.5	Very high	187 Å²	187	83 Å²	83	81%	0.813	42%	0.418	S	S	*	.	S	Bend	trans	-76.3	-25.2	176.8	-64.2	-175.1	179	-176.7	0	113.3	Y186	Y186-K188 PolarHBondContact O-N 3.2Å
189	K	92.6	Very high	94.6	Very high	155 Å²	155	79.2 Å²	79.2	67%	0.674	40%	0.401	S	S	*	.	S	Bend	trans	-101.2	144.5	-176.1	-64.8	-175	-179.9	-177.1	0	110.1
190	P	95.6	Very high	94.6	Very high	64 Å²	64	80.8 Å²	80.8	42%	0.416	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.4	163.7	176.3	28.7	-35.4	0	0	0	111.4	V192 K195 T197	P190-V192 PolarHBondContact O-N 3.35Å; P190-K195 VanDerWaalsContact CB-O 3.27Å; P190-K195 WeakPolarHBondContact CB-O 3.42Å; P190-T197 HydrophobicContact CB-CG2 4.24Å
191	C	96.3	Very high	94.6	Very high	1 Å²	1	84.6 Å²	84.6	1%	0.007	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-57	132.8	-180	179.7	0	0	0	0	111.3	C173 C176 Q193 K195 A196 F199	C173-C191 HydrophobicContact CB-CB 4.15Å; C176-C191 PolarHBondContact SG-SG 3.31Å; C191-Q193 PolarHBondContact O-N 3.17Å; C191-K195 VanDerWaalsContact O-CA 3.22Å; C191-K195 WeakPolarHBondContact O-CA 3.46Å; C191-K195 PolarHBondContact O-N 2.86Å; C191-A196 WeakPolarHBondContact CB-O 3.37Å; C191-A196 PolarHBondContact N-O 3.41Å; C191-F199 HydrophobicContact CB-CE1 4.21Å; C191-F199 HydrophobicContact CB-CZ 4Å
192	V	94.5	Very high	94.6	Very high	118 Å²	118	83.6 Å²	83.6	72%	0.715	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.5	-177	-178.8	0	0	0	0	111.8	P190	P190-V192 PolarHBondContact O-N 3.35Å
193	Q	95	Very high	94.6	Very high	127 Å²	127	83.8 Å²	83.8	59%	0.593	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-50.3	-173	-174	172.3	-30.8	0	0	113.4	C191	C191-Q193 PolarHBondContact O-N 3.17Å
194	C	96.2	Very high	94.5	Very high	52 Å²	52	86.1 Å²	86.1	35%	0.351	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	0.4	-174.2	66.9	0	0	0	0	115	C176 A196	C176-C194 HydrophobicContact CB-CB 4.15Å; C176-C194 PolarHBondContact SG-SG 3.07Å; C194-A196 PolarHBondContact O-N 3.47Å; C194-A196 VanDerWaalsContact SG-CB 3.59Å
195	K	95.3	Very high	94.3	Very high	145 Å²	145	87.3 Å²	87.3	63%	0.63	43%	0.428	S	S	*	.			trans	61.4	4	-176.8	-49.6	-57.5	-175.8	-166.7	0	116.5	P190 C191	P190-K195 VanDerWaalsContact CB-O 3.27Å; P190-K195 WeakPolarHBondContact CB-O 3.42Å; C191-K195 VanDerWaalsContact O-CA 3.22Å; C191-K195 WeakPolarHBondContact O-CA 3.46Å; C191-K195 PolarHBondContact O-N 2.86Å
196	A	95.1	Very high	93.8	Very high	27 Å²	27	85.4 Å²	85.4	22%	0.223	42%	0.418	C	S	.	.			trans	-62.4	147.4	172	0	0	0	0	0	111.8	A175 C191 C194	A175-A196 HydrophobicContact CB-CB 3.87Å; C191-A196 WeakPolarHBondContact CB-O 3.37Å; C191-A196 PolarHBondContact N-O 3.41Å; C194-A196 PolarHBondContact O-N 3.47Å; C194-A196 VanDerWaalsContact SG-CB 3.59Å
197	T	94.4	Very high	93	Very high	112 Å²	112	86.3 Å²	86.3	69%	0.687	42%	0.42	S	S	*	.			trans	-98.9	-5.4	178	50.3	0	0	0	0	112.9	P190 F199	P190-T197 HydrophobicContact CB-CG2 4.24Å; T197-F199 WeakPolarHBondContact O-CD2 3.5Å; T197-F199 PolarHBondContact O-N 3.19Å
198	E	95.5	Very high	92.1	Very high	117 Å²	117	93.8 Å²	93.8	55%	0.547	45%	0.45	S	S	.	.			trans	-84.8	115	-179.6	-69	-172.4	-133.7	0	0	112.2	K174	K174-E198 HydrophobicContact CB-CB 4.31Å; K174-E198 HydrophobicContact CD-CB 4.26Å; K174-E198 HydrophobicContact CG-CB 4.43Å; K174-E198 PolarHBondContact N-O 3.46Å
199	F	96.2	Very high	91.5	Very high	23 Å²	23	87.8 Å²	87.8	10%	0.101	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.9	178	-64.3	-83.5	0	0	0	111.2	F171 Q172 C173 P187 C191 T197	F171-F199 HydrophobicContact CB-CB 4.2Å; F171-F199 HydrophobicContact CB-CD1 4.32Å; F171-F199 HydrophobicContact CD1-CB 4.21Å; Q172-F199 CarbonylContact O-C 3.59Å; Q172-F199 WeakPolarHBondContact O-CA 3.3Å; C173-F199 HydrophobicContact CB-CD1 4.19Å; C173-F199 HydrophobicContact CB-CE1 4.07Å; P187-F199 HydrophobicContact CB-CD2 4.05Å; P187-F199 HydrophobicContact CB-CE2 3.93Å; P187-F199 HydrophobicContact CB-CZ 4.3Å; P187-F199 HydrophobicContact CG-CB 4.34Å; P187-F199 HydrophobicContact CG-CD1 4.3Å; P187-F199 HydrophobicContact CG-CD2 3.89Å; P187-F199 HydrophobicContact CG-CE2 4.22Å; P187-F199 HydrophobicContact CG-CG 3.93Å; C191-F199 HydrophobicContact CB-CE1 4.21Å; C191-F199 HydrophobicContact CB-CZ 4Å; T197-F199 WeakPolarHBondContact O-CD2 3.5Å; T197-F199 PolarHBondContact O-N 3.19Å
200	Q	95.2	Very high	90.8	Very high	109 Å²	109	86.2 Å²	86.2	51%	0.509	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.8	170.6	-177.3	175.1	7.2	0	0	109.6	F171 Q172 K174	F171-Q200 CarbonylContact C-O 3.5Å; F171-Q200 VanDerWaalsContact CA-O 3.24Å; F171-Q200 WeakPolarHBondContact CA-O 3.27Å; Q172-Q200 PolarHBondContact N-O 3Å; Q172-Q200 PolarHBondContact O-N 3.02Å; K174-Q200 HydrophobicContact CG-CB 4.17Å
201	R	95	Very high	89.7	Confident	120 Å²	120	91.4 Å²	91.4	45%	0.453	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.6	172.2	-173	-179.3	-69.4	155	-1.6	109.3	F130 F171	F130-R201 HydrophobicContact CD1-CG 4.27Å; F171-R201 HydrophobicContact CD1-CB 4.48Å; F171-R201 HydrophobicContact CE1-CB 4.33Å
202	V	94.8	Very high	88.6	Confident	15 Å²	15	96.6 Å²	96.6	9%	0.091	49%	0.49	C	S	.	.			trans	-132.8	162.8	-176.2	-65.3	0	0	0	0	110.8	F130 F170 Q172	F130-V202 VanDerWaalsContact CD1-C 3.4Å; F130-V202 WeakPolarHBondContact CD1-O 3.37Å; F170-V202 HydrophobicContact CB-CG2 4.1Å; F170-V202 WeakPolarHBondContact CB-O 3.21Å; F170-V202 PolarHBondContact O-N 3.37Å; Q172-V202 HydrophobicContact CB-CG1 3.66Å; Q172-V202 HydrophobicContact CB-CG2 4.14Å
203	A	94.9	Very high	87.4	Confident	14 Å²	14	93.7 Å²	93.7	12%	0.116	48%	0.484	C	S	.	.			trans	-67.9	163.8	170.6	0	0	0	0	0	111.3	S127 L129 F130 R179 K205	S127-A203 WeakPolarHBondContact O-CB 3.36Å; L129-A203 CarbonylContact O-C 3.6Å; L129-A203 WeakPolarHBondContact O-CA 3.35Å; F130-A203 HydrophobicContact CE1-CB 4.32Å; F130-A203 HydrophobicContact CZ-CB 4.37Å; R179-A203 PolarHBondContact NH2-O 2.95Å; A203-K205 PolarHBondContact O-N 3.33Å
204	M	93	Very high	86.3	Confident	78 Å²	78	91.3 Å²	91.3	38%	0.384	49%	0.486	S	S	.	.	S	Bend	trans	-58.7	-44.4	-179.1	177.9	177.1	178.1	0	0	112.4	A126 L129 I132 F170 R179	A126-M204 WeakPolarHBondContact O-CB 3.3Å; A126-M204 PolarHBondContact O-N 2.9Å; L129-M204 HydrophobicContact CB-CB 4.49Å; L129-M204 PolarHBondContact O-N 2.92Å; I132-M204 HydrophobicContact CD1-CE 4.3Å; I132-M204 HydrophobicContact CD1-SD 3.84Å; F170-M204 HydrophobicContact CD2-CB 3.83Å; F170-M204 HydrophobicContact CD2-CG 4.47Å; F170-M204 HydrophobicContact CE1-CB 4.25Å; F170-M204 HydrophobicContact CE1-CG 3.87Å; F170-M204 HydrophobicContact CE2-CB 3.48Å; F170-M204 VanDerWaalsContact CE2-CB 3.48Å; F170-M204 HydrophobicContact CE2-CG 3.82Å; F170-M204 HydrophobicContact CE2-SD 4.38Å; F170-M204 HydrophobicContact CG-CB 4.37Å; F170-M204 HydrophobicContact CZ-CB 3.71Å; F170-M204 HydrophobicContact CZ-CG 3.48Å; F170-M204 VanDerWaalsContact CZ-CG 3.48Å; F170-M204 HydrophobicContact CZ-SD 3.96Å; R179-M204 PolarHBondContact NH2-O 3.03Å
205	K	87.4	Confident	85.1	Confident	63 Å²	63	94.1 Å²	94.1	27%	0.274	49%	0.494	S	S	.	.	S	Bend	trans	-116.1	146.8	175.1	-164.5	179.1	179	-171.4	0	109.9	E123 A126 A203	E123-K205 IonicContact OE1-NZ 2.72Å; E123-K205 PolarHBondContact OE1-NZ 3.26Å; E123-K205 IonicContact OE2-NZ 3.77Å; E123-K205 PolarHBondContact OE2-NZ 3.22Å; A126-K205 HydrophobicContact CB-CB 4.13Å; A126-K205 PolarHBondContact O-N 3.12Å; A203-K205 PolarHBondContact O-N 3.33Å
206	E	82.8	Confident	83.8	Confident	105 Å²	105	91 Å²	91	49%	0.491	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-73	136	170.5	-72.4	169.2	-165.1	0	0	109.6	R179 K208	R179-E206 WeakPolarHBondContact CD-OE1 3.44Å; R179-E206 IonicContact NH1-OE1 3.91Å; R179-E206 PolarHBondContact NH1-OE1 2.85Å; E206-K208 PolarHBondContact O-N 2.93Å
207	R	77.9	Confident	82.7	Confident	156 Å²	156	96 Å²	96	59%	0.589	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64.7	123.6	172.8	-77.5	-170.9	158.8	-177.5	-6.3	108.8
208	K	75.5	Confident	81.5	Confident	182 Å²	182	96.6 Å²	96.6	79%	0.791	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-91.8	130.1	171.9	-65.5	-174.3	176.6	-172.4	0	108.2	E206	E206-K208 PolarHBondContact O-N 2.93Å
209	G	77.9	Confident	80.3	Confident	61 Å²	61	98.7 Å²	98.7	63%	0.629	53%	0.531	S	S	*	.	S	Bend	trans	140.4	171.7	178.1	0	0	0	0	0	112.4
210	P	78.7	Confident	79.4	Confident	122 Å²	122	107.3 Å²	107.3	79%	0.792	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-60.5	139.4	170.7	27	-32.6	0	0	0	109.3	L212	P210-L212 PolarHBondContact O-N 2.95Å
211	K	73.2	Confident	78.4	Confident	172 Å²	172	104.1 Å²	104.1	75%	0.748	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.3	168.3	-66.5	-177.2	-179.8	178.4	0	107.4
212	L	73.2	Confident	77.3	Confident	111 Å²	111	105 Å²	105	58%	0.581	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-60.4	143.1	174.8	-66.3	172.2	0	0	0	108	P210 A214 E215	P210-L212 PolarHBondContact O-N 2.95Å; L212-A214 PolarHBondContact O-N 2.83Å; L212-E215 HydrophobicContact CB-CG 4.46Å; L212-E215 WeakPolarHBondContact O-CB 3.24Å; L212-E215 PolarHBondContact O-N 2.9Å
213	G	69.3	Low	76.3	Confident	56 Å²	56	111.2 Å²	111.2	58%	0.577	60%	0.596	S	S	*	*	H	α-helix	trans	-50.9	-35.5	-177.5	0	0	0	0	0	112.8	E215 A216 L217	G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.4Å; G213-A216 PolarHBondContact O-N 3.3Å; G213-A216 VanDerWaalsContact O-N 3.08Å; G213-L217 WeakPolarHBondContact O-CG 3.34Å; G213-L217 PolarHBondContact O-N 2.88Å
214	A	71.5	Confident	75.3	Confident	77 Å²	77	116.9 Å²	116.9	64%	0.636	62%	0.624	S	S	*	*	H	α-helix	trans	-58.1	-29.7	175.1	0	0	0	0	0	114.9	L212 A216 L217	L212-A214 PolarHBondContact O-N 2.83Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-L217 PolarHBondContact O-N 3.5Å
215	E	69.5	Low	73.9	Confident	111 Å²	111	118 Å²	118	52%	0.519	64%	0.637	S	S	.	*	H	α-helix	trans	-76.6	-23.4	178.1	-62.3	178.8	179.2	0	0	112.5	L212 G213	L212-E215 HydrophobicContact CB-CG 4.46Å; L212-E215 WeakPolarHBondContact O-CB 3.24Å; L212-E215 PolarHBondContact O-N 2.9Å; G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.4Å
216	A	68.7	Low	73.3	Confident	80 Å²	80	122.8 Å²	122.8	66%	0.661	66%	0.658	S	S	*	*	H	α-helix	trans	-86.9	-16.1	175.4	0	0	0	0	0	112.6	G213 A214 K218	G213-A216 PolarHBondContact O-N 3.3Å; G213-A216 VanDerWaalsContact O-N 3.08Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A216-K218 PolarHBondContact O-N 2.95Å
217	L	71.2	Confident	72.4	Confident	131 Å²	131	124 Å²	124	69%	0.686	67%	0.672	S	S	*	*	S	Bend	trans	-77.6	119.9	178.7	-66	174.7	0	0	0	110.3	G213 A214 V219	G213-L217 WeakPolarHBondContact O-CG 3.34Å; G213-L217 PolarHBondContact O-N 2.88Å; A214-L217 PolarHBondContact O-N 3.5Å; L217-V219 PolarHBondContact O-N 3.3Å
218	K	70.6	Confident	71.5	Confident	126 Å²	126	122 Å²	122	55%	0.548	68%	0.678	S	S	.	*			trans	-69	126.6	166.6	-66.9	172.3	-178.3	167.1	0	108.2	A216 R220 G221 E222	A216-K218 PolarHBondContact O-N 2.95Å; K218-R220 PolarHBondContact O-N 3.49Å; K218-G221 WeakPolarHBondContact CB-O 3.23Å; K218-G221 WeakPolarHBondContact CD-O 3.48Å; K218-G221 PolarHBondContact O-N 3.44Å; K218-E222 HydrophobicContact CD-CG 4.09Å; K218-E222 IonicContact NZ-OE1 3.41Å; K218-E222 PolarHBondContact NZ-OE1 2.98Å
219	V	70.6	Confident	70.4	Confident	161 Å²	161	122.3 Å²	122.3	98%	0.976	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-29.4	-178.5	178.9	0	0	0	0	112.8	L217	L217-V219 PolarHBondContact O-N 3.3Å
220	R	77	Confident	70	Confident	204 Å²	204	125.4 Å²	125.4	77%	0.77	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	8.5	-178.9	-167.9	175.1	-86.9	-157.1	-5.5	113.6	K218 E223	K218-R220 PolarHBondContact O-N 3.49Å; R220-E223 WeakPolarHBondContact CD-OE1 3.33Å; R220-E223 IonicContact NH1-OE1 3.07Å
221	G	73	Confident	69.5	Low	41 Å²	41	125.5 Å²	125.5	42%	0.423	70%	0.702	S	S	.	*			trans	71.8	-169.5	-169.2	0	0	0	0	0	112.7	K218	K218-G221 WeakPolarHBondContact CB-O 3.23Å; K218-G221 WeakPolarHBondContact CD-O 3.48Å; K218-G221 PolarHBondContact O-N 3.44Å
222	E	73.7	Confident	69.3	Low	140 Å²	140	122.9 Å²	122.9	65%	0.654	70%	0.699	S	S	*	*			trans	-84.8	121.2	172.7	-49.7	-153.7	124.5	0	0	109.4	K218 L224	K218-E222 HydrophobicContact CD-CG 4.09Å; K218-E222 IonicContact NZ-OE1 3.41Å; K218-E222 PolarHBondContact NZ-OE1 2.98Å; E222-L224 PolarHBondContact O-N 3.44Å; E222-L224 VanDerWaalsContact O-N 3.17Å
223	E	72.9	Confident	69.1	Low	144 Å²	144	123.6 Å²	123.6	67%	0.673	71%	0.706	S	S	*	*			trans	-74.7	105.4	171.5	-65.2	-168.7	168.2	0	0	108.1	R220	R220-E223 WeakPolarHBondContact CD-OE1 3.33Å; R220-E223 IonicContact NH1-OE1 3.07Å
224	L	72.9	Confident	69.1	Low	134 Å²	134	127.9 Å²	127.9	70%	0.702	71%	0.714	S	S	*	*			trans	-76	126.3	171.3	-67.3	176.2	0	0	0	108.8	E222 F226	E222-L224 PolarHBondContact O-N 3.44Å; E222-L224 VanDerWaalsContact O-N 3.17Å; L224-F226 PolarHBondContact O-N 2.96Å
225	P	64.9	Low	68.9	Low	100 Å²	100	131.3 Å²	131.3	65%	0.649	72%	0.719	S	S	*	*	S	Bend	trans	-67.5	106.4	166.8	27.5	-29.5	0	0	0	107.6
226	F	74.9	Confident	68.9	Low	164 Å²	164	132.7 Å²	132.7	72%	0.719	73%	0.733	S	S	*	*			trans	53.7	126.7	176.5	47.7	-91.9	0	0	0	117.2	L224 T228	L224-F226 PolarHBondContact O-N 2.96Å; F226-T228 HydrophobicContact CD2-CG2 4.05Å; F226-T228 HydrophobicContact CE2-CG2 4.28Å; F226-T228 PolarHBondContact O-N 3.44Å
227	V	63.8	Low	68.9	Low	131 Å²	131	136.8 Å²	136.8	79%	0.794	74%	0.739	S	S	*	*			trans	-68.7	101.5	167	-176	0	0	0	0	107.4	S229	V227-S229 PolarHBondContact O-N 2.87Å
228	T	59.5	Low	68.7	Low	115 Å²	115	137.3 Å²	137.3	71%	0.706	74%	0.743	S	S	*	*			trans	-67.1	118.3	164.1	44.1	0	0	0	0	108	F226	F226-T228 HydrophobicContact CD2-CG2 4.05Å; F226-T228 HydrophobicContact CE2-CG2 4.28Å; F226-T228 PolarHBondContact O-N 3.44Å
229	S	50.5	Low	68.5	Low	187 Å²	187	138.3 Å²	138.3	100%	1.308	76%	0.761	S	S	*	*			trans	-64.7	0	168.7	-53.6	0	0	0	0	111.7	V227	V227-S229 PolarHBondContact O-N 2.87Å

Retrieved 229 of 229 residues in 392.7 ms (Link to these results)

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