A0A077Z7F6_TRITR Loading...

Suppressor

AlphaFold DB , UniProt , Accession A0A077Z7F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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	61.3	Low	74.2	Confident	211 Å²	211	117.8 Å²	117.8	100%	1.039	61%	0.613	S	S	*	*				0	-69.3	0	-68	-67.9	-147.5	0	0	111.4	R3 Y4 A5	M1-R3 PolarHBondContact O-N 3.12Å; M1-Y4 PolarHBondContact O-N 2.98Å; M1-Y4 VanDerWaalsContact O-N 3.17Å; M1-A5 PolarHBondContact O-N 3.08Å
2	L	68.7	Low	73.6	Confident	144 Å²	144	111 Å²	111	75%	0.754	58%	0.578	S	S	*	*	H	α-helix	trans	-61	-40.3	-172.1	-165.6	64.3	0	0	0	115.1	Y4 A5 L6	L2-Y4 VanDerWaalsContact C-N 3.32Å; L2-Y4 PolarHBondContact O-N 3.43Å; L2-A5 PolarHBondContact O-N 3.05Å; L2-L6 PolarHBondContact O-N 3Å
3	R	76.8	Confident	73.1	Confident	219 Å²	219	112.4 Å²	112.4	83%	0.826	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-32	177.6	-71.6	-168.4	172.7	-164.2	-1.5	114.1	M1 L7	M1-R3 PolarHBondContact O-N 3.12Å; R3-L7 PolarHBondContact O-N 2.93Å
4	Y	74.6	Confident	72.3	Confident	184 Å²	184	117.6 Å²	117.6	72%	0.722	60%	0.595	S	S	*	*	H	α-helix	trans	-77.4	-38.9	179.1	-101.4	-87.4	0	0	0	111.6	M1 L2 L6 L7 V8	M1-Y4 PolarHBondContact O-N 2.98Å; M1-Y4 VanDerWaalsContact O-N 3.17Å; L2-Y4 VanDerWaalsContact C-N 3.32Å; L2-Y4 PolarHBondContact O-N 3.43Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 3.18Å; Y4-L7 PolarHBondContact O-N 3.05Å; Y4-V8 WeakPolarHBondContact O-CG2 2.94Å; Y4-V8 PolarHBondContact O-N 3.5Å; Y4-V8 VanDerWaalsContact O-N 3.11Å
5	A	77.6	Confident	71.7	Confident	66 Å²	66	114.1 Å²	114.1	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-60.9	-38.9	174	0	0	0	0	0	111.9	M1 L2 V8 G9	M1-A5 PolarHBondContact O-N 3.08Å; L2-A5 PolarHBondContact O-N 3.05Å; A5-V8 PolarHBondContact O-N 3.02Å; A5-G9 PolarHBondContact O-N 3.29Å; A5-G9 VanDerWaalsContact O-N 3.1Å
6	L	79.3	Confident	70.8	Confident	116 Å²	116	113.5 Å²	113.5	61%	0.607	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-42.9	178.1	-130.1	161.4	0	0	0	112.1	L2 Y4 G9 V10	L2-L6 PolarHBondContact O-N 3Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 3.18Å; L6-G9 PolarHBondContact O-N 3.04Å; L6-V10 HydrophobicContact CD2-CG2 4.35Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.25Å; L6-V10 PolarHBondContact O-N 3.39Å; L6-V10 VanDerWaalsContact O-N 3.09Å
7	L	77.3	Confident	69.9	Low	112 Å²	112	112.9 Å²	112.9	59%	0.586	59%	0.59	S	S	*	*	H	α-helix	trans	-64	-41.6	176.9	-96.3	159.5	0	0	0	112.8	R3 Y4 G9 V10 V11	R3-L7 PolarHBondContact O-N 2.93Å; Y4-L7 PolarHBondContact O-N 3.05Å; L7-G9 VanDerWaalsContact C-N 3.35Å; L7-V10 PolarHBondContact O-N 2.81Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.11Å
8	V	75.5	Confident	69.2	Low	45 Å²	45	110.5 Å²	110.5	27%	0.273	58%	0.584	S	S	.	*	H	α-helix	trans	-67.5	-36.6	178.2	176.3	0	0	0	0	111.7	Y4 A5 N12 F196	Y4-V8 WeakPolarHBondContact O-CG2 2.94Å; Y4-V8 PolarHBondContact O-N 3.5Å; Y4-V8 VanDerWaalsContact O-N 3.11Å; A5-V8 PolarHBondContact O-N 3.02Å; V8-N12 PolarHBondContact O-N 3.46Å; V8-N12 PolarHBondContact O-ND2 3.43Å; V8-F196 HydrophobicContact CG1-CD2 4.4Å; V8-F196 HydrophobicContact CG1-CE1 4.15Å; V8-F196 HydrophobicContact CG1-CE2 3.77Å; V8-F196 HydrophobicContact CG1-CZ 3.63Å; V8-F196 HydrophobicContact CG2-CE2 4.49Å
9	G	76.3	Confident	68.3	Low	42 Å²	42	112.5 Å²	112.5	43%	0.433	60%	0.596	S	S	.	*	H	α-helix	trans	-62.5	-41.9	173.2	0	0	0	0	0	112.5	A5 L6 L7 L13	A5-G9 PolarHBondContact O-N 3.29Å; A5-G9 VanDerWaalsContact O-N 3.1Å; L6-G9 PolarHBondContact O-N 3.04Å; L7-G9 VanDerWaalsContact C-N 3.35Å; G9-L13 PolarHBondContact O-N 3.38Å
10	V	75.8	Confident	68	Low	61 Å²	61	109.6 Å²	109.6	37%	0.37	59%	0.588	S	S	.	*	H	α-helix	trans	-66.1	-43	179.1	169	0	0	0	0	111.7	L6 L7 N12 L13 Y14	L6-V10 HydrophobicContact CD2-CG2 4.35Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.25Å; L6-V10 PolarHBondContact O-N 3.39Å; L6-V10 VanDerWaalsContact O-N 3.09Å; L7-V10 PolarHBondContact O-N 2.81Å; V10-N12 PolarHBondContact O-N 2.81Å; V10-L13 PolarHBondContact O-N 3.01Å; V10-Y14 HydrophobicContact CG1-CD2 4.38Å; V10-Y14 HydrophobicContact CG1-CE2 3.54Å; V10-Y14 WeakPolarHBondContact O-CD2 3.41Å; V10-Y14 WeakPolarHBondContact O-CE2 3.19Å
11	V	72.7	Confident	67.9	Low	96 Å²	96	111.3 Å²	111.3	58%	0.582	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-39.5	-179	171.6	0	0	0	0	112.3	L7 L13 Y14	L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.11Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.49Å; V11-Y14 PolarHBondContact O-N 2.74Å
12	N	66.7	Low	68.8	Low	36 Å²	36	105.5 Å²	105.5	19%	0.193	57%	0.565	C	S	.	*	H	α-helix	trans	-72.2	-24.7	179.6	-81.6	-78.1	0	0	0	114	V8 V10 Y14 S15 W193	V8-N12 PolarHBondContact O-N 3.46Å; V8-N12 PolarHBondContact O-ND2 3.43Å; V10-N12 PolarHBondContact O-N 2.81Å; N12-Y14 VanDerWaalsContact C-N 3.27Å; N12-Y14 PolarHBondContact O-N 3.48Å; N12-S15 PolarHBondContact O-N 2.95Å; N12-W193 HydrophobicContact CB-CD2 4.46Å; N12-W193 HydrophobicContact CB-CH2 3.25Å; N12-W193 HydrophobicContact CB-CZ2 2.94Å; N12-W193 HydrophobicContact CB-CZ3 4.12Å; N12-W193 VanDerWaalsContact CG-CZ3 3.48Å; N12-W193 VanDerWaalsContact ND2-CH2 3.3Å; N12-W193 WeakPolarHBondContact ND2-CH2 3.47Å; N12-W193 VanDerWaalsContact ND2-CZ3 3.34Å; N12-W193 WeakPolarHBondContact ND2-CZ3 3.34Å; N12-W193 VanDerWaalsContact OD1-CD2 3.27Å; N12-W193 WeakPolarHBondContact OD1-CZ2 3.49Å; N12-W193 PolarHBondContact OD1-NE1 3.35Å
13	L	67	Low	69.7	Low	129 Å²	129	99.9 Å²	99.9	68%	0.675	54%	0.537	S	S	*	.	H	α-helix	trans	-65.5	-32.3	177.1	-171.5	61.8	0	0	0	111.9	G9 V10 V11 S15	G9-L13 PolarHBondContact O-N 3.38Å; V10-L13 PolarHBondContact O-N 3.01Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.49Å; L13-S15 VanDerWaalsContact C-N 3.28Å; L13-S15 PolarHBondContact O-N 3.27Å
14	Y	63.2	Low	70.4	Confident	185 Å²	185	92.8 Å²	92.8	73%	0.725	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.8	-177.1	-71.7	-69.4	0	0	0	114.8	V10 V11 N12 L16	V10-Y14 HydrophobicContact CG1-CD2 4.38Å; V10-Y14 HydrophobicContact CG1-CE2 3.54Å; V10-Y14 WeakPolarHBondContact O-CD2 3.41Å; V10-Y14 WeakPolarHBondContact O-CE2 3.19Å; V11-Y14 PolarHBondContact O-N 2.74Å; N12-Y14 VanDerWaalsContact C-N 3.27Å; N12-Y14 PolarHBondContact O-N 3.48Å; Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3.19Å
15	S	63	Low	71.2	Confident	65 Å²	65	84 Å²	84	46%	0.455	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-76.5	-16.9	-173.4	-165.4	0	0	0	0	113	N12 L13 C17 R189	N12-S15 PolarHBondContact O-N 2.95Å; L13-S15 VanDerWaalsContact C-N 3.28Å; L13-S15 PolarHBondContact O-N 3.27Å; S15-C17 PolarHBondContact O-N 2.99Å; S15-R189 PolarHBondContact O-NE 3.06Å; S15-R189 PolarHBondContact O-NH2 3.11Å; S15-R189 PolarHBondContact OG-NE 3.19Å
16	L	56.6	Low	72	Confident	105 Å²	105	84.8 Å²	84.8	55%	0.55	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-76.7	-11.5	-160.2	-81.5	151.3	0	0	0	118.3	Y14 S18 R189	Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3.19Å; L16-S18 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact O-N 3.16Å; L16-R189 VanDerWaalsContact C-NH2 3.28Å; L16-R189 PolarHBondContact O-NH1 3.36Å; L16-R189 PolarHBondContact O-NH2 2.98Å
17	C	55.3	Low	72.5	Confident	104 Å²	104	81 Å²	81	70%	0.703	47%	0.467	S	S	*	.			trans	-86	96	-171	-56.4	0	0	0	0	113.3	S15	S15-C17 PolarHBondContact O-N 2.99Å
18	S	58.1	Low	73.1	Confident	69 Å²	69	81.6 Å²	81.6	48%	0.483	47%	0.471	S	S	.	.			trans	-100.3	114.9	156.7	59.1	0	0	0	0	108.4	L16	L16-S18 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact O-N 3.16Å
19	N	52.6	Low	73.9	Confident	149 Å²	149	83.2 Å²	83.2	80%	0.797	48%	0.476	S	S	*	.			trans	-87.7	121.1	-175.8	-62	-29	0	0	0	110.5
20	A	61	Low	74.8	Confident	54 Å²	54	84.5 Å²	84.5	45%	0.446	47%	0.47	S	S	.	.			trans	-82.9	164.8	153.2	0	0	0	0	0	108.9	F22	A20-F22 VanDerWaalsContact C-N 3.35Å; A20-F22 HydrophobicContact CB-CD2 3.92Å; A20-F22 HydrophobicContact CB-CE1 4.47Å; A20-F22 HydrophobicContact CB-CE2 3.42Å; A20-F22 VanDerWaalsContact CB-CE2 3.42Å; A20-F22 HydrophobicContact CB-CZ 3.73Å; A20-F22 WeakPolarHBondContact O-CD2 3.41Å; A20-F22 PolarHBondContact O-N 3.46Å
21	L	65.5	Low	75.7	Confident	146 Å²	146	84.7 Å²	84.7	76%	0.764	47%	0.467	S	S	*	.			trans	-74.2	95.2	173.6	-176.5	66.9	0	0	0	108.6
22	F	80.2	Confident	76.8	Confident	88 Å²	88	82 Å²	82	39%	0.386	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-101.5	120.6	177.6	-73.2	-68.6	0	0	0	108	A20 A50 I105 M107	A20-F22 VanDerWaalsContact C-N 3.35Å; A20-F22 HydrophobicContact CB-CD2 3.92Å; A20-F22 HydrophobicContact CB-CE1 4.47Å; A20-F22 HydrophobicContact CB-CE2 3.42Å; A20-F22 VanDerWaalsContact CB-CE2 3.42Å; A20-F22 HydrophobicContact CB-CZ 3.73Å; A20-F22 WeakPolarHBondContact O-CD2 3.41Å; A20-F22 PolarHBondContact O-N 3.46Å; F22-A50 HydrophobicContact CD1-CB 4Å; F22-A50 HydrophobicContact CE1-CB 3.64Å; F22-I105 HydrophobicContact CB-CG2 3.47Å; F22-I105 VanDerWaalsContact CB-CG2 3.47Å; F22-I105 HydrophobicContact CD1-CG2 3.46Å; F22-I105 VanDerWaalsContact CD1-CG2 3.46Å; F22-I105 HydrophobicContact CE1-CG2 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.77Å; F22-M107 HydrophobicContact CD1-CG 3.41Å; F22-M107 VanDerWaalsContact CD1-CG 3.41Å; F22-M107 HydrophobicContact CD1-SD 4.06Å; F22-M107 HydrophobicContact CE1-CE 4.32Å; F22-M107 HydrophobicContact CE1-CG 3.32Å; F22-M107 HydrophobicContact CE1-SD 3.32Å; F22-M107 WeakPolarHBondContact CE1-SD 3.24Å; F22-M107 HydrophobicContact CZ-CG 4.35Å; F22-M107 HydrophobicContact CZ-SD 3.89Å
23	V	89.1	Confident	78.1	Confident	26 Å²	26	82.9 Å²	82.9	16%	0.158	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.2	173.4	172.9	0	0	0	0	108.6	F33 V106 F108	V23-F33 HydrophobicContact CB-CZ 4.46Å; V23-F33 HydrophobicContact CG1-CE2 4.32Å; V23-F33 HydrophobicContact CG1-CZ 3.9Å; V23-F33 HydrophobicContact CG2-CZ 3.97Å; V23-V106 PolarHBondContact N-O 2.94Å; V23-V106 PolarHBondContact O-N 3.41Å; V23-F108 HydrophobicContact CB-CE1 4.17Å; V23-F108 HydrophobicContact CG2-CD1 4.5Å; V23-F108 HydrophobicContact CG2-CE1 3.63Å; V23-F108 HydrophobicContact CG2-CZ 4.38Å
24	S	90.3	Very high	79.4	Confident	71 Å²	71	83.1 Å²	83.1	50%	0.497	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.9	172.1	54	0	0	0	0	110	K104	S24-K104 WeakPolarHBondContact CA-O 3.48Å
25	V	93.2	Very high	80.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.6	171.3	-171.9	0	0	0	0	107.8	Q31 I57 F94 N96 P103 K104	V25-Q31 HydrophobicContact CG1-CG 4.34Å; V25-Q31 HydrophobicContact CG2-CB 4.23Å; V25-Q31 HydrophobicContact CG2-CG 4.32Å; V25-I57 HydrophobicContact CG2-CD1 4.19Å; V25-F94 HydrophobicContact CG2-CB 4.01Å; V25-N96 HydrophobicContact CB-CB 4.29Å; V25-N96 HydrophobicContact CG1-CB 3.67Å; V25-N96 PolarHBondContact O-ND2 3.3Å; V25-P103 WeakPolarHBondContact O-CA 3.45Å; V25-K104 PolarHBondContact N-O 3.23Å; V25-K104 PolarHBondContact O-N 3.25Å
26	D	93.1	Very high	82	Confident	82 Å²	82	84 Å²	84	44%	0.439	45%	0.445	S	S	.	.			trans	-66.5	161.3	-177	-75.8	-34.6	0	0	0	112.8	N28 E29 N96	D26-N28 PolarHBondContact O-N 2.85Å; D26-E29 HydrophobicContact CB-CB 4.23Å; D26-E29 PolarHBondContact O-N 3.2Å; D26-N96 WeakPolarHBondContact O-CB 3.2Å; D26-N96 PolarHBondContact O-ND2 3.07Å
27	A	90.6	Very high	83.5	Confident	36 Å²	36	79.5 Å²	79.5	30%	0.298	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	136.1	180	0	0	0	0	0	110.8	E29	A27-E29 PolarHBondContact O-N 3.02Å
28	N	90.1	Very high	85.1	Confident	124 Å²	124	78.2 Å²	78.2	66%	0.663	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	16	-176.7	-162.3	47.2	0	0	0	115.3	D26 N96	D26-N28 PolarHBondContact O-N 2.85Å; N28-N96 PolarHBondContact N-O 3.37Å
29	E	92.7	Very high	86.6	Confident	80 Å²	80	77.8 Å²	77.8	37%	0.374	41%	0.408	S	S	.	.			trans	-113.9	161.4	-179.8	-164.1	171.9	154.2	0	0	112.1	D26 A27 Q31 N96	D26-E29 HydrophobicContact CB-CB 4.23Å; D26-E29 PolarHBondContact O-N 3.2Å; A27-E29 PolarHBondContact O-N 3.02Å; E29-Q31 PolarHBondContact OE1-NE2 2.65Å; E29-N96 PolarHBondContact O-N 2.82Å
30	E	94.7	Very high	88.2	Confident	69 Å²	69	72.4 Å²	72.4	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	166.5	63.9	179.3	-150.1	0	0	110.9	K60 F94 K97	E30-K60 IonicContact OE1-NZ 2.74Å; E30-K60 PolarHBondContact OE1-NZ 3.5Å; E30-K60 IonicContact OE2-NZ 2.75Å; E30-K60 PolarHBondContact OE2-NZ 3.38Å; E30-F94 CarbonylContact C-O 3.57Å; E30-F94 VanDerWaalsContact CA-O 3.23Å; E30-F94 WeakPolarHBondContact CA-O 3.35Å; E30-K97 VanDerWaalsContact OE2-CE 3.22Å; E30-K97 WeakPolarHBondContact OE2-CE 3.42Å; E30-K97 IonicContact OE2-NZ 2.75Å; E30-K97 PolarHBondContact OE2-NZ 2.98Å
31	Q	94.7	Very high	89.4	Confident	65 Å²	65	70 Å²	70	30%	0.304	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	177.5	-75.1	-66.2	-18	0	0	110	V25 E29 C93 F94	V25-Q31 HydrophobicContact CG1-CG 4.34Å; V25-Q31 HydrophobicContact CG2-CB 4.23Å; V25-Q31 HydrophobicContact CG2-CG 4.32Å; E29-Q31 PolarHBondContact OE1-NE2 2.65Å; Q31-C93 CarbonylContact O-C 3.59Å; Q31-C93 VanDerWaalsContact O-CA 3.24Å; Q31-C93 WeakPolarHBondContact O-CA 3.08Å; Q31-F94 PolarHBondContact N-O 2.88Å; Q31-F94 PolarHBondContact O-N 2.82Å
32	C	95.1	Very high	90.3	Very high	38 Å²	38	68.9 Å²	68.9	26%	0.257	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.5	-172.9	-63.9	0	0	0	0	112.7	F34 T91 Y92 C93	C32-F34 HydrophobicContact CB-CE2 4.39Å; C32-F34 HydrophobicContact CB-CZ 4.2Å; C32-T91 HydrophobicContact CB-CG2 4.05Å; C32-Y92 CarbonylContact C-O 3.57Å; C32-Y92 VanDerWaalsContact CA-O 3.29Å; C32-Y92 WeakPolarHBondContact CA-O 3.26Å; C32-C93 HydrophobicContact CB-CB 4.1Å; C32-C93 WeakPolarHBondContact CB-SG 3.39Å; C32-C93 WeakPolarHBondContact SG-CB 3.14Å; C32-C93 CovalentContact SG-SG 2.04Å; C32-C93 PolarHBondContact SG-SG 3.09Å
33	F	94.8	Very high	90.6	Very high	55 Å²	55	64.8 Å²	64.8	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.2	178.7	-60.7	-85	0	0	0	110.2	V23 T91 Y92 F94 F108 M110	V23-F33 HydrophobicContact CB-CZ 4.46Å; V23-F33 HydrophobicContact CG1-CE2 4.32Å; V23-F33 HydrophobicContact CG1-CZ 3.9Å; V23-F33 HydrophobicContact CG2-CZ 3.97Å; F33-T91 CarbonylContact O-C 3.58Å; F33-T91 WeakPolarHBondContact O-CA 3.08Å; F33-Y92 PolarHBondContact N-O 2.97Å; F33-Y92 PolarHBondContact O-N 3.46Å; F33-F94 HydrophobicContact CD2-CD2 4.02Å; F33-F94 AromaticContact CD2-CE2 3.94Å; F33-F94 HydrophobicContact CD2-CE2 3.94Å; F33-F94 AromaticContact CE2-CD2 3.89Å; F33-F94 HydrophobicContact CE2-CD2 3.89Å; F33-F94 HydrophobicContact CE2-CE2 4.01Å; F33-F108 AromaticContact CD1-CZ 3.9Å; F33-F108 HydrophobicContact CD1-CZ 3.9Å; F33-F108 HydrophobicContact CD2-CE1 4.09Å; F33-F108 AromaticContact CD2-CZ 3.89Å; F33-F108 HydrophobicContact CD2-CZ 3.89Å; F33-F108 HydrophobicContact CE1-CE1 4.2Å; F33-F108 AromaticContact CE1-CZ 3.74Å; F33-F108 HydrophobicContact CE1-CZ 3.74Å; F33-F108 AromaticContact CE2-CE1 3.56Å; F33-F108 HydrophobicContact CE2-CE1 3.56Å; F33-F108 AromaticContact CE2-CZ 3.72Å; F33-F108 HydrophobicContact CE2-CZ 3.72Å; F33-F108 AromaticContact CG-CZ 3.99Å; F33-F108 HydrophobicContact CG-CZ 3.99Å; F33-F108 AromaticContact CZ-CE1 3.64Å; F33-F108 HydrophobicContact CZ-CE1 3.64Å; F33-F108 AromaticContact CZ-CZ 3.66Å; F33-F108 HydrophobicContact CZ-CZ 3.66Å; F33-M110 HydrophobicContact CB-CE 3.96Å
34	F	93.4	Very high	90.5	Very high	134 Å²	134	64.4 Å²	64.4	59%	0.588	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.8	-171.2	-57.8	-84.7	0	0	0	110.5	C32 V89 T91	C32-F34 HydrophobicContact CB-CE2 4.39Å; C32-F34 HydrophobicContact CB-CZ 4.2Å; F34-V89 HydrophobicContact CB-CG1 3.73Å; F34-V89 HydrophobicContact CD1-CG1 3.94Å; F34-V89 HydrophobicContact CG-CG1 4.31Å; F34-T91 HydrophobicContact CD1-CG2 3.69Å; F34-T91 VanDerWaalsContact CD1-OG1 3.26Å; F34-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F34-T91 HydrophobicContact CE1-CG2 3.35Å; F34-T91 WeakPolarHBondContact CE1-OG1 3.39Å; F34-T91 HydrophobicContact CZ-CG2 4.03Å
35	E	89.9	Confident	90.5	Very high	64 Å²	64	61 Å²	61	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.3	178.3	-173	56.8	-138.2	0	0	109.9	V37 M43 V89 Y90 Y92 M110 V112	E35-V37 HydrophobicContact CG-CG1 4.19Å; E35-M43 HydrophobicContact CB-CE 4.11Å; E35-M43 HydrophobicContact CG-CE 3.83Å; E35-V89 CarbonylContact O-C 3.54Å; E35-V89 WeakPolarHBondContact O-CA 3.19Å; E35-Y90 PolarHBondContact N-O 2.9Å; E35-Y90 PolarHBondContact O-N 3.01Å; E35-Y92 HydrophobicContact CB-CE2 4.28Å; E35-M110 HydrophobicContact CB-SD 4.46Å; E35-V112 HydrophobicContact CG-CG2 3.78Å
36	R	90.3	Very high	90.3	Very high	205 Å²	205	64 Å²	64	77%	0.774	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.9	-178.1	-171.4	174.4	-179.9	165.9	-0.7	109.9	G88 V89	R36-G88 WeakPolarHBondContact CA-O 3.41Å; R36-V89 HydrophobicContact CB-CG2 4.31Å; R36-V89 HydrophobicContact CG-CG2 4.33Å
37	V	90	Very high	90.2	Very high	10 Å²	10	60.5 Å²	60.5	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160	-177.9	-65	0	0	0	0	112	E35 T41 M43 A84 G88 Y90 V112	E35-V37 HydrophobicContact CG-CG1 4.19Å; V37-T41 HydrophobicContact CB-CG2 4.31Å; V37-T41 HydrophobicContact CG1-CG2 4.27Å; V37-M43 HydrophobicContact CB-SD 4.29Å; V37-M43 HydrophobicContact CG1-CE 3.58Å; V37-M43 HydrophobicContact CG1-CG 4.32Å; V37-M43 HydrophobicContact CG1-SD 3.8Å; V37-M43 HydrophobicContact CG2-CE 4.31Å; V37-M43 HydrophobicContact CG2-SD 3.7Å; V37-A84 HydrophobicContact CG2-CB 3.73Å; V37-G88 PolarHBondContact N-O 2.85Å; V37-G88 PolarHBondContact O-N 2.89Å; V37-Y90 HydrophobicContact CG2-CD2 3.31Å; V37-Y90 HydrophobicContact CG2-CE2 3.5Å; V37-Y90 HydrophobicContact CG2-CG 4.35Å; V37-V112 HydrophobicContact CG1-CG1 3.62Å; V37-V112 HydrophobicContact CG1-CG2 4.11Å
38	T	88.7	Confident	90.2	Very high	78 Å²	78	64 Å²	64	48%	0.479	32%	0.318	S	S	.	.			trans	-94.8	156.9	171.5	56.4	0	0	0	0	111.3	T41 A84 D87	T38-T41 WeakPolarHBondContact O-CB 3.26Å; T38-T41 PolarHBondContact O-N 2.93Å; T38-T41 VanDerWaalsContact O-N 3.16Å; T38-T41 PolarHBondContact O-OG1 2.86Å; T38-T41 PolarHBondContact OG1-OG1 3.39Å; T38-T41 VanDerWaalsContact OG1-OG1 3.09Å; T38-A84 WeakPolarHBondContact O-CB 3.27Å; T38-D87 VanDerWaalsContact C-OD1 3.31Å; T38-D87 WeakPolarHBondContact CA-OD1 3.49Å; T38-D87 WeakPolarHBondContact CB-OD1 3.49Å
39	S	88.5	Confident	90.2	Very high	60 Å²	60	58.6 Å²	58.6	42%	0.42	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	140	178.6	-171.6	0	0	0	0	110.7	T41 A84 H85 D87	S39-T41 VanDerWaalsContact C-N 3.25Å; S39-T41 PolarHBondContact O-N 3.22Å; S39-A84 WeakPolarHBondContact CA-O 3.4Å; S39-H85 PolarHBondContact OG-O 3.3Å; S39-D87 PolarHBondContact N-OD1 3.14Å
40	G	86.2	Confident	89.8	Confident	36 Å²	36	56.6 Å²	56.6	37%	0.371	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-7.8	-174.7	0	0	0	0	0	114.8	K42 A84 P115	G40-K42 PolarHBondContact O-N 3.49Å; G40-A84 PolarHBondContact N-O 3.37Å; G40-P115 WeakPolarHBondContact O-CB 3.33Å
41	T	85.9	Confident	89.4	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	30%	0.298	C	S	.	.			trans	-66	126.7	177.2	-59.5	0	0	0	0	110.8	V37 T38 S39 M43 S83 A84 V112 L113 P115	V37-T41 HydrophobicContact CB-CG2 4.31Å; V37-T41 HydrophobicContact CG1-CG2 4.27Å; T38-T41 WeakPolarHBondContact O-CB 3.26Å; T38-T41 PolarHBondContact O-N 2.93Å; T38-T41 VanDerWaalsContact O-N 3.16Å; T38-T41 PolarHBondContact O-OG1 2.86Å; T38-T41 PolarHBondContact OG1-OG1 3.39Å; T38-T41 VanDerWaalsContact OG1-OG1 3.09Å; S39-T41 VanDerWaalsContact C-N 3.25Å; S39-T41 PolarHBondContact O-N 3.22Å; T41-M43 HydrophobicContact CG2-CG 4.47Å; T41-S83 CarbonylContact O-C 3.5Å; T41-S83 WeakPolarHBondContact O-CA 3.34Å; T41-A84 PolarHBondContact O-N 3.36Å; T41-V112 HydrophobicContact CG2-CG1 3.3Å; T41-L113 WeakPolarHBondContact CG2-O 3.4Å; T41-P115 WeakPolarHBondContact OG1-CD 3.05Å
42	K	85	Confident	88.7	Confident	124 Å²	124	57.1 Å²	57.1	54%	0.539	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.6	176.1	-71.9	-174.1	179.2	-177.5	0	109	G40 L113	G40-K42 PolarHBondContact O-N 3.49Å; K42-L113 HydrophobicContact CB-CB 4.21Å; K42-L113 PolarHBondContact N-O 2.79Å; K42-L113 WeakPolarHBondContact O-CA 3.32Å; K42-L113 WeakPolarHBondContact O-CB 3.22Å; K42-L113 PolarHBondContact O-N 3.25Å
43	M	86.7	Confident	88	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135	177.6	-58	-179.6	83.9	0	0	109.2	E35 V37 T41 T81 F82 Y90 Y92 N111 V112	E35-M43 HydrophobicContact CB-CE 4.11Å; E35-M43 HydrophobicContact CG-CE 3.83Å; V37-M43 HydrophobicContact CB-SD 4.29Å; V37-M43 HydrophobicContact CG1-CE 3.58Å; V37-M43 HydrophobicContact CG1-CG 4.32Å; V37-M43 HydrophobicContact CG1-SD 3.8Å; V37-M43 HydrophobicContact CG2-CE 4.31Å; V37-M43 HydrophobicContact CG2-SD 3.7Å; T41-M43 HydrophobicContact CG2-CG 4.47Å; M43-T81 VanDerWaalsContact O-CA 3.29Å; M43-T81 WeakPolarHBondContact O-CA 3.48Å; M43-F82 HydrophobicContact CB-CE1 4.17Å; M43-F82 HydrophobicContact CB-CE2 4.45Å; M43-F82 HydrophobicContact CB-CZ 4.12Å; M43-F82 PolarHBondContact N-O 3.38Å; M43-F82 PolarHBondContact O-N 3Å; M43-F82 HydrophobicContact SD-CE2 3.92Å; M43-F82 HydrophobicContact SD-CZ 3.79Å; M43-Y90 HydrophobicContact SD-CD2 4.48Å; M43-Y90 HydrophobicContact SD-CG 4.4Å; M43-Y92 HydrophobicContact CE-CE2 4.07Å; M43-Y92 WeakPolarHBondContact CE-OH 3.29Å; M43-Y92 PolarHBondContact SD-OH 3.44Å; M43-N111 CarbonylContact C-O 3.59Å; M43-N111 WeakPolarHBondContact CA-O 3.23Å; M43-V112 HydrophobicContact CE-CG2 3.97Å
44	N	87.2	Confident	87.6	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.5	173	175.3	19	0	0	0	108.9	F80 M110 N111	N44-F80 WeakPolarHBondContact CA-O 3.02Å; N44-M110 WeakPolarHBondContact O-CA 3.19Å; N44-N111 HydrophobicContact CB-CB 4.28Å; N44-N111 PolarHBondContact N-O 2.83Å; N44-N111 PolarHBondContact O-N 3.17Å
45	F	90.2	Very high	87.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.3	-177.8	170.4	-105.9	0	0	0	109.3	F47 V59 I61 F80 Y92 F94 F108 T109	F45-F47 HydrophobicContact CD1-CD1 4.4Å; F45-F47 AromaticContact CE1-CD1 3.55Å; F45-F47 HydrophobicContact CE1-CD1 3.55Å; F45-F47 HydrophobicContact CE1-CE1 4.17Å; F45-F47 HydrophobicContact CE1-CG 4.49Å; F45-F47 HydrophobicContact CZ-CB 4.29Å; F45-F47 AromaticContact CZ-CD1 3.95Å; F45-F47 HydrophobicContact CZ-CD1 3.95Å; F45-F47 HydrophobicContact CZ-CG 4.49Å; F45-V59 HydrophobicContact CE1-CG1 3.84Å; F45-V59 HydrophobicContact CZ-CG1 4.13Å; F45-I61 HydrophobicContact CD1-CD1 3.93Å; F45-I61 HydrophobicContact CE1-CD1 4.35Å; F45-F80 HydrophobicContact CD1-CB 4.44Å; F45-F80 HydrophobicContact CD1-CD2 4.13Å; F45-F80 PolarHBondContact N-O 2.83Å; F45-F80 PolarHBondContact O-N 2.91Å; F45-Y92 HydrophobicContact CB-CD1 4.42Å; F45-Y92 HydrophobicContact CB-CE1 3.82Å; F45-Y92 HydrophobicContact CD1-CD1 4.19Å; F45-Y92 HydrophobicContact CD1-CE1 4.31Å; F45-Y92 AromaticContact CD2-CD1 3.55Å; F45-Y92 HydrophobicContact CD2-CD1 3.55Å; F45-Y92 AromaticContact CD2-CE1 3.77Å; F45-Y92 HydrophobicContact CD2-CE1 3.77Å; F45-Y92 HydrophobicContact CD2-CG 4.32Å; F45-Y92 HydrophobicContact CE1-CD1 4.33Å; F45-Y92 AromaticContact CE2-CD1 3.72Å; F45-Y92 HydrophobicContact CE2-CD1 3.72Å; F45-Y92 HydrophobicContact CE2-CE1 4.4Å; F45-Y92 HydrophobicContact CE2-CG 4.26Å; F45-Y92 AromaticContact CG-CD1 3.79Å; F45-Y92 HydrophobicContact CG-CD1 3.79Å; F45-Y92 AromaticContact CG-CE1 3.7Å; F45-Y92 HydrophobicContact CG-CE1 3.7Å; F45-Y92 HydrophobicContact CZ-CD1 4.11Å; F45-F94 HydrophobicContact CE2-CE1 4.49Å; F45-F94 HydrophobicContact CE2-CE2 4.44Å; F45-F94 AromaticContact CE2-CZ 3.72Å; F45-F94 HydrophobicContact CE2-CZ 3.72Å; F45-F94 AromaticContact CZ-CE1 3.78Å; F45-F94 HydrophobicContact CZ-CE1 3.78Å; F45-F94 HydrophobicContact CZ-CE2 4.39Å; F45-F94 AromaticContact CZ-CZ 3.44Å; F45-F94 HydrophobicContact CZ-CZ 3.44Å; F45-F94 VanDerWaalsContact CZ-CZ 3.44Å; F45-F108 HydrophobicContact CE2-CB 4.39Å; F45-T109 WeakPolarHBondContact CA-O 3.43Å
46	M	88.1	Confident	87.3	Confident	64 Å²	64	59.4 Å²	59.4	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.6	179.5	-68.1	-179.7	61.3	0	0	109.7	G78 K79 F108 T109	M46-G78 WeakPolarHBondContact CA-O 3.48Å; M46-K79 HydrophobicContact CE-CD 4.11Å; M46-K79 HydrophobicContact CG-CB 3.95Å; M46-K79 HydrophobicContact CG-CD 4.02Å; M46-K79 HydrophobicContact CG-CG 3.65Å; M46-K79 HydrophobicContact SD-CD 3.75Å; M46-K79 HydrophobicContact SD-CG 4.09Å; M46-F108 CarbonylContact O-C 3.56Å; M46-F108 WeakPolarHBondContact O-CA 3.44Å; M46-F108 WeakPolarHBondContact O-CB 3.3Å; M46-T109 PolarHBondContact N-O 2.92Å; M46-T109 PolarHBondContact O-N 2.77Å
47	F	90.5	Very high	87.5	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155	172.9	73.3	-89.1	0	0	0	112.3	F45 I57 V59 E75 S77 G78 F80 F94 V106 M107 F108	F45-F47 HydrophobicContact CD1-CD1 4.4Å; F45-F47 AromaticContact CE1-CD1 3.55Å; F45-F47 HydrophobicContact CE1-CD1 3.55Å; F45-F47 HydrophobicContact CE1-CE1 4.17Å; F45-F47 HydrophobicContact CE1-CG 4.49Å; F45-F47 HydrophobicContact CZ-CB 4.29Å; F45-F47 AromaticContact CZ-CD1 3.95Å; F45-F47 HydrophobicContact CZ-CD1 3.95Å; F45-F47 HydrophobicContact CZ-CG 4.49Å; F47-I57 HydrophobicContact CD2-CG2 4.3Å; F47-I57 HydrophobicContact CE2-CG2 3.98Å; F47-V59 HydrophobicContact CD1-CG1 4.47Å; F47-V59 HydrophobicContact CD1-CG2 4.22Å; F47-V59 HydrophobicContact CD2-CG2 4.25Å; F47-V59 HydrophobicContact CE1-CB 4.19Å; F47-V59 HydrophobicContact CE1-CG1 4.14Å; F47-V59 HydrophobicContact CE1-CG2 3.7Å; F47-V59 HydrophobicContact CE2-CG2 3.79Å; F47-V59 HydrophobicContact CG-CG2 4.46Å; F47-V59 HydrophobicContact CZ-CB 4.29Å; F47-V59 HydrophobicContact CZ-CG2 3.5Å; F47-E75 HydrophobicContact CE2-CB 4.48Å; F47-E75 HydrophobicContact CZ-CB 4.14Å; F47-S77 WeakPolarHBondContact O-CA 3.11Å; F47-G78 PolarHBondContact N-O 3.41Å; F47-G78 PolarHBondContact O-N 3.16Å; F47-F80 HydrophobicContact CE1-CD2 4.3Å; F47-F80 AromaticContact CE1-CE2 3.76Å; F47-F80 HydrophobicContact CE1-CE2 3.76Å; F47-F94 HydrophobicContact CB-CE1 3.75Å; F47-F94 HydrophobicContact CB-CZ 4.15Å; F47-F94 HydrophobicContact CD1-CE1 4.46Å; F47-F94 HydrophobicContact CD2-CE1 4.41Å; F47-F94 AromaticContact CG-CE1 3.98Å; F47-F94 HydrophobicContact CG-CE1 3.98Å; F47-V106 HydrophobicContact CB-CG1 4.17Å; F47-M107 CarbonylContact C-O 3.56Å; F47-M107 VanDerWaalsContact CA-O 3.24Å; F47-M107 WeakPolarHBondContact CA-O 3.05Å; F47-F108 HydrophobicContact CB-CB 4.05Å
48	E	91	Very high	87.7	Confident	110 Å²	110	51.2 Å²	51.2	51%	0.514	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	131.5	175.5	-174.6	173.8	179.9	0	0	109.7	A50 M107	E48-A50 PolarHBondContact O-N 3.39Å; E48-M107 HydrophobicContact CB-CE 4.45Å; E48-M107 HydrophobicContact CG-CE 4.49Å; E48-M107 PolarHBondContact N-O 2.82Å; E48-M107 PolarHBondContact O-N 2.83Å
49	V	90.2	Very high	88	Confident	10 Å²	10	47.6 Å²	47.6	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.8	176.1	-174.5	0	0	0	0	108.7	L55 I57 S76 I105 V106	V49-L55 HydrophobicContact CG1-CB 4.36Å; V49-L55 HydrophobicContact CG1-CD2 4.2Å; V49-I57 HydrophobicContact CG2-CB 4.02Å; V49-I57 HydrophobicContact CG2-CG2 3.6Å; V49-S76 WeakPolarHBondContact CG2-O 3.45Å; V49-S76 PolarHBondContact N-O 3.17Å; V49-I105 CarbonylContact C-O 3.59Å; V49-V106 HydrophobicContact CG2-CG2 4.15Å
50	A	85.4	Confident	88.3	Confident	37 Å²	37	47.2 Å²	47.2	31%	0.306	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-43.5	-177.8	0	0	0	0	0	112.2	F22 E48 I105 M107	F22-A50 HydrophobicContact CD1-CB 4Å; F22-A50 HydrophobicContact CE1-CB 3.64Å; E48-A50 PolarHBondContact O-N 3.39Å; A50-I105 HydrophobicContact CB-CB 4.49Å; A50-I105 HydrophobicContact CB-CG2 4.22Å; A50-I105 PolarHBondContact N-O 2.84Å; A50-M107 HydrophobicContact CB-CE 4.25Å; A50-M107 HydrophobicContact CB-CG 4.43Å
51	E	85.9	Confident	88.7	Confident	123 Å²	123	45.5 Å²	45.5	58%	0.575	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.1	-177.9	-62	-172.6	171.4	0	0	112.2	K104 I105	E51-K104 CarbonylContact O-C 3.53Å; E51-K104 WeakPolarHBondContact O-CA 3.49Å; E51-I105 HydrophobicContact CB-CB 4.06Å; E51-I105 HydrophobicContact CB-CD1 4.03Å; E51-I105 HydrophobicContact CB-CG1 4.1Å; E51-I105 HydrophobicContact CG-CD1 4.31Å; E51-I105 PolarHBondContact N-O 3.09Å; E51-I105 PolarHBondContact O-N 2.69Å; E51-I105 WeakPolarHBondContact OE2-CD1 3.29Å
52	G	80.3	Confident	89.2	Confident	23 Å²	23	46.7 Å²	46.7	24%	0.237	25%	0.248	C	C	.	.	S	Bend	trans	118.2	135.8	167.2	0	0	0	0	0	114.8	F54 L55	G52-F54 PolarHBondContact O-N 3.45Å; G52-L55 WeakPolarHBondContact O-CA 3.33Å; G52-L55 PolarHBondContact O-N 3.28Å
53	G	80.2	Confident	89.5	Confident	54 Å²	54	41 Å²	41	56%	0.557	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	-127.5	169.3	0	0	0	0	0	114.8	L55	G53-L55 VanDerWaalsContact C-N 3.28Å
54	F	85.8	Confident	89.9	Confident	185 Å²	185	43 Å²	43	81%	0.811	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	15.1	174.3	-65.2	-70.9	0	0	0	113.4	G52 D56	G52-F54 PolarHBondContact O-N 3.45Å; F54-D56 PolarHBondContact O-N 3.2Å
55	L	86.7	Confident	90.1	Very high	79 Å²	79	45.3 Å²	45.3	41%	0.414	25%	0.25	S	C	.	.	S	Bend	trans	58	30.3	-175.6	-55.2	169.4	0	0	0	113.3	V49 G52 G53 S76	V49-L55 HydrophobicContact CG1-CB 4.36Å; V49-L55 HydrophobicContact CG1-CD2 4.2Å; G52-L55 WeakPolarHBondContact O-CA 3.33Å; G52-L55 PolarHBondContact O-N 3.28Å; G53-L55 VanDerWaalsContact C-N 3.28Å; L55-S76 WeakPolarHBondContact O-CA 3.45Å; L55-S76 WeakPolarHBondContact O-CB 3.47Å
56	D	91	Very high	90.1	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.112	28%	0.284	C	S	.	.			trans	-109.7	137.4	-175.3	58.4	-18	0	0	0	111.5	F54 R74 M98 K104	F54-D56 PolarHBondContact O-N 3.2Å; D56-R74 HydrophobicContact CB-CB 4.16Å; D56-M98 HydrophobicContact CB-CE 3.64Å; D56-M98 VanDerWaalsContact O-CE 3.28Å; D56-M98 WeakPolarHBondContact O-CE 3.48Å; D56-M98 WeakPolarHBondContact OD2-CE 3.48Å; D56-M98 VanDerWaalsContact OD2-SD 3.36Å; D56-K104 WeakPolarHBondContact O-CD 3.38Å; D56-K104 WeakPolarHBondContact O-CE 3.5Å; D56-K104 PolarHBondContact O-NZ 2.95Å; D56-K104 WeakPolarHBondContact OD1-CE 3.16Å; D56-K104 IonicContact OD1-NZ 2.74Å; D56-K104 PolarHBondContact OD1-NZ 2.8Å
57	I	93.2	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.7	176.3	-159.8	167.1	0	0	0	112	V25 F47 V49 V59 R74 E75 F94 G95 V106	V25-I57 HydrophobicContact CG2-CD1 4.19Å; F47-I57 HydrophobicContact CD2-CG2 4.3Å; F47-I57 HydrophobicContact CE2-CG2 3.98Å; V49-I57 HydrophobicContact CG2-CB 4.02Å; V49-I57 HydrophobicContact CG2-CG2 3.6Å; I57-V59 HydrophobicContact CG2-CG2 3.88Å; I57-R74 PolarHBondContact O-N 2.83Å; I57-E75 PolarHBondContact N-O 2.73Å; I57-E75 PolarHBondContact O-N 3.49Å; I57-F94 HydrophobicContact CD1-CB 3.75Å; I57-F94 HydrophobicContact CD1-CD1 4.28Å; I57-F94 HydrophobicContact CD1-CG 4.46Å; I57-G95 WeakPolarHBondContact CG1-O 3.31Å; I57-V106 HydrophobicContact CD1-CG2 3.47Å; I57-V106 VanDerWaalsContact CD1-CG2 3.47Å
58	D	94.9	Very high	90.3	Very high	42 Å²	42	58.9 Å²	58.9	23%	0.225	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.3	174	-59.5	-30.5	0	0	0	109.1	G72 E73 R74 F94 G95	D58-G72 CarbonylContact C-O 3.5Å; D58-G72 WeakPolarHBondContact CA-O 3.24Å; D58-E73 WeakPolarHBondContact OD1-CA 3.36Å; D58-R74 PolarHBondContact OD1-N 3.17Å; D58-F94 CarbonylContact O-C 3.56Å; D58-F94 WeakPolarHBondContact O-CA 3.22Å; D58-G95 PolarHBondContact N-O 2.92Å; D58-G95 PolarHBondContact O-N 3.38Å
59	V	95	Very high	90.3	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.5	-179.1	-176.6	0	0	0	0	109.4	F45 F47 I57 Y70 K71 G72 C93 F94	F45-V59 HydrophobicContact CE1-CG1 3.84Å; F45-V59 HydrophobicContact CZ-CG1 4.13Å; F47-V59 HydrophobicContact CD1-CG1 4.47Å; F47-V59 HydrophobicContact CD1-CG2 4.22Å; F47-V59 HydrophobicContact CD2-CG2 4.25Å; F47-V59 HydrophobicContact CE1-CB 4.19Å; F47-V59 HydrophobicContact CE1-CG1 4.14Å; F47-V59 HydrophobicContact CE1-CG2 3.7Å; F47-V59 HydrophobicContact CE2-CG2 3.79Å; F47-V59 HydrophobicContact CG-CG2 4.46Å; F47-V59 HydrophobicContact CZ-CB 4.29Å; F47-V59 HydrophobicContact CZ-CG2 3.5Å; I57-V59 HydrophobicContact CG2-CG2 3.88Å; V59-Y70 HydrophobicContact CG1-CE1 4.5Å; V59-K71 CarbonylContact O-C 3.47Å; V59-K71 WeakPolarHBondContact O-CA 3.49Å; V59-G72 PolarHBondContact N-O 2.79Å; V59-G72 PolarHBondContact O-N 2.99Å; V59-C93 WeakPolarHBondContact CA-O 3.37Å; V59-F94 HydrophobicContact CG2-CD1 3.93Å; V59-F94 HydrophobicContact CG2-CE1 4.17Å
60	K	95	Very high	90.4	Very high	52 Å²	52	58.2 Å²	58.2	23%	0.226	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.5	174.8	63.5	-176.6	-174.5	-169.6	0	110.2	E30 V62 Y70 C93	E30-K60 IonicContact OE1-NZ 2.74Å; E30-K60 PolarHBondContact OE1-NZ 3.5Å; E30-K60 IonicContact OE2-NZ 2.75Å; E30-K60 PolarHBondContact OE2-NZ 3.38Å; K60-V62 HydrophobicContact CG-CG2 4.5Å; K60-Y70 WeakPolarHBondContact CA-O 2.96Å; K60-C93 HydrophobicContact CD-CB 4.11Å; K60-C93 WeakPolarHBondContact CE-SG 3.5Å; K60-C93 HydrophobicContact CG-CB 3.61Å; K60-C93 PolarHBondContact N-O 3.44Å; K60-C93 PolarHBondContact O-N 3.35Å
61	I	95.3	Very high	90.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.8	172.8	-53.3	178	0	0	0	107	F45 Q68 V69 Y70 F82 T91 Y92	F45-I61 HydrophobicContact CD1-CD1 3.93Å; F45-I61 HydrophobicContact CE1-CD1 4.35Å; I61-Q68 CarbonylContact O-C 3.53Å; I61-Q68 WeakPolarHBondContact O-CA 3.36Å; I61-V69 HydrophobicContact CB-CB 4.45Å; I61-V69 HydrophobicContact CG2-CB 4.29Å; I61-V69 PolarHBondContact O-N 3.22Å; I61-Y70 HydrophobicContact CD1-CD1 4.09Å; I61-Y70 HydrophobicContact CD1-CG 4.48Å; I61-Y70 HydrophobicContact CG1-CD1 4.23Å; I61-Y70 PolarHBondContact N-O 2.94Å; I61-Y70 PolarHBondContact O-N 2.8Å; I61-F82 HydrophobicContact CD1-CE1 4.08Å; I61-F82 HydrophobicContact CG2-CE1 4.11Å; I61-F82 HydrophobicContact CG2-CZ 3.9Å; I61-T91 WeakPolarHBondContact CA-O 3.39Å; I61-Y92 HydrophobicContact CD1-CD1 4.03Å; I61-Y92 HydrophobicContact CD1-CE1 3.88Å; I61-Y92 HydrophobicContact CG1-CD1 3.81Å; I61-Y92 HydrophobicContact CG1-CE1 4.07Å; I61-Y92 HydrophobicContact CG2-CD1 4.15Å; I61-Y92 HydrophobicContact CG2-CE1 3.91Å
62	V	94.9	Very high	91.2	Very high	27 Å²	27	56.3 Å²	56.3	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.3	-176.2	-171.8	0	0	0	0	108.8	K60 K67 Q68 Y90 T91	K60-V62 HydrophobicContact CG-CG2 4.5Å; V62-K67 WeakPolarHBondContact CA-O 3.39Å; V62-Q68 HydrophobicContact CG2-CG 4.37Å; V62-Y90 WeakPolarHBondContact O-CA 3.47Å; V62-T91 PolarHBondContact N-O 2.89Å; V62-T91 PolarHBondContact O-N 3.37Å
63	G	93	Very high	91.8	Very high	4 Å²	4	61.2 Å²	61.2	4%	0.041	32%	0.321	C	S	.	.			trans	-75.6	170.7	173.2	0	0	0	0	0	112.5	D65 S66 K67	G63-D65 PolarHBondContact O-N 3.45Å; G63-S66 WeakPolarHBondContact O-CA 3.43Å; G63-S66 PolarHBondContact O-N 3.29Å; G63-K67 PolarHBondContact N-O 2.89Å
64	P	93.2	Very high	92.4	Very high	44 Å²	44	67 Å²	67	29%	0.286	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.4	178.1	22.9	-28.2	0	0	0	113.6	S66 M86 V89 Y90	P64-S66 PolarHBondContact O-N 3.02Å; P64-M86 HydrophobicContact CB-CE 4.13Å; P64-M86 HydrophobicContact CB-SD 4.44Å; P64-M86 HydrophobicContact CG-CE 3.75Å; P64-M86 HydrophobicContact CG-CG 3.49Å; P64-M86 VanDerWaalsContact CG-CG 3.49Å; P64-M86 HydrophobicContact CG-SD 3.64Å; P64-V89 WeakPolarHBondContact CA-O 3.28Å; P64-V89 WeakPolarHBondContact CB-O 3.49Å; P64-Y90 HydrophobicContact CG-CE2 4.21Å
65	D	92.8	Very high	92.7	Very high	66 Å²	66	61 Å²	61	35%	0.353	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	5.5	166.4	56.5	-12.3	0	0	0	113.6	G63 K67 H85 M86	G63-D65 PolarHBondContact O-N 3.45Å; D65-K67 VanDerWaalsContact CG-CB 3.42Å; D65-K67 PolarHBondContact O-N 3.42Å; D65-K67 VanDerWaalsContact O-N 3.14Å; D65-K67 WeakPolarHBondContact OD1-CB 3.35Å; D65-K67 PolarHBondContact OD1-N 2.97Å; D65-K67 VanDerWaalsContact OD2-CB 3.24Å; D65-K67 WeakPolarHBondContact OD2-CB 3.34Å; D65-H85 VanDerWaalsContact CG-NE2 3.32Å; D65-H85 IonicContact OD1-CE1 3.64Å; D65-H85 IonicContact OD1-NE2 3.3Å; D65-H85 PolarHBondContact OD1-NE2 3.2Å; D65-H85 IonicContact OD2-CD2 3.88Å; D65-H85 IonicContact OD2-CE1 3.91Å; D65-H85 IonicContact OD2-NE2 2.98Å; D65-H85 PolarHBondContact OD2-NE2 2.95Å; D65-M86 HydrophobicContact CB-CE 4.19Å; D65-M86 HydrophobicContact CB-SD 3.5Å; D65-M86 WeakPolarHBondContact CB-SD 3.4Å; D65-M86 PolarHBondContact N-SD 2.93Å
66	S	89.5	Confident	92.9	Very high	102 Å²	102	60.4 Å²	60.4	71%	0.713	30%	0.303	S	S	*	.	S	Bend	trans	60.5	14.1	-171.2	-54.3	0	0	0	0	113.9	G63 P64	G63-S66 WeakPolarHBondContact O-CA 3.43Å; G63-S66 PolarHBondContact O-N 3.29Å; P64-S66 PolarHBondContact O-N 3.02Å
67	K	91.7	Very high	92.8	Very high	144 Å²	144	62.6 Å²	62.6	63%	0.626	32%	0.319	S	S	*	.			trans	-84.6	134.9	176	-169.2	177.7	177.6	-177.9	0	109.8	V62 G63 D65 V69	V62-K67 WeakPolarHBondContact CA-O 3.39Å; G63-K67 PolarHBondContact N-O 2.89Å; D65-K67 VanDerWaalsContact CG-CB 3.42Å; D65-K67 PolarHBondContact O-N 3.42Å; D65-K67 VanDerWaalsContact O-N 3.14Å; D65-K67 WeakPolarHBondContact OD1-CB 3.35Å; D65-K67 PolarHBondContact OD1-N 2.97Å; D65-K67 VanDerWaalsContact OD2-CB 3.24Å; D65-K67 WeakPolarHBondContact OD2-CB 3.34Å; K67-V69 PolarHBondContact O-N 3.47Å
68	Q	91.5	Very high	92.7	Very high	110 Å²	110	63.4 Å²	63.4	51%	0.514	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.3	174.3	-64.2	176.5	16.6	0	0	108.9	I61 V62	I61-Q68 CarbonylContact O-C 3.53Å; I61-Q68 WeakPolarHBondContact O-CA 3.36Å; V62-Q68 HydrophobicContact CG2-CG 4.37Å
69	V	90.9	Very high	92.4	Very high	60 Å²	60	67.5 Å²	67.5	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-38.7	175.5	179	0	0	0	0	109.8	I61 K67 F82 Y90	I61-V69 HydrophobicContact CB-CB 4.45Å; I61-V69 HydrophobicContact CG2-CB 4.29Å; I61-V69 PolarHBondContact O-N 3.22Å; K67-V69 PolarHBondContact O-N 3.47Å; V69-F82 HydrophobicContact CG1-CD2 4.22Å; V69-F82 HydrophobicContact CG1-CG 4.41Å; V69-Y90 HydrophobicContact CG2-CE1 4.13Å
70	Y	92.8	Very high	92.2	Very high	47 Å²	47	69.7 Å²	69.7	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.7	178.6	173.5	-102.3	0	0	0	110	V59 K60 I61 G72 E75 F80	V59-Y70 HydrophobicContact CG1-CE1 4.5Å; K60-Y70 WeakPolarHBondContact CA-O 2.96Å; I61-Y70 HydrophobicContact CD1-CD1 4.09Å; I61-Y70 HydrophobicContact CD1-CG 4.48Å; I61-Y70 HydrophobicContact CG1-CD1 4.23Å; I61-Y70 PolarHBondContact N-O 2.94Å; I61-Y70 PolarHBondContact O-N 2.8Å; Y70-G72 WeakPolarHBondContact OH-CA 3.37Å; Y70-E75 PolarHBondContact OH-OE1 3.01Å; Y70-E75 PolarHBondContact OH-OE2 2.78Å; Y70-F80 HydrophobicContact CD1-CD1 4.42Å; Y70-F80 HydrophobicContact CD1-CD2 4.5Å; Y70-F80 HydrophobicContact CD1-CE1 4.35Å; Y70-F80 HydrophobicContact CD1-CE2 4.42Å; Y70-F80 HydrophobicContact CD1-CZ 4.37Å; Y70-F80 HydrophobicContact CD2-CD1 4.09Å; Y70-F80 AromaticContact CD2-CE1 3.81Å; Y70-F80 HydrophobicContact CD2-CE1 3.81Å; Y70-F80 HydrophobicContact CD2-CZ 4.42Å; Y70-F80 HydrophobicContact CE1-CD1 4.35Å; Y70-F80 HydrophobicContact CE1-CD2 4.18Å; Y70-F80 AromaticContact CE1-CE1 3.88Å; Y70-F80 HydrophobicContact CE1-CE1 3.88Å; Y70-F80 AromaticContact CE1-CE2 3.69Å; Y70-F80 HydrophobicContact CE1-CE2 3.69Å; Y70-F80 HydrophobicContact CE1-CG 4.5Å; Y70-F80 AromaticContact CE1-CZ 3.54Å; Y70-F80 HydrophobicContact CE1-CZ 3.54Å; Y70-F80 HydrophobicContact CE2-CD1 4.04Å; Y70-F80 AromaticContact CE2-CE1 3.29Å; Y70-F80 HydrophobicContact CE2-CE1 3.29Å; Y70-F80 AromaticContact CE2-CZ 3.62Å; Y70-F80 HydrophobicContact CE2-CZ 3.62Å; Y70-F80 HydrophobicContact CG-CD1 4.3Å; Y70-F80 HydrophobicContact CG-CE1 4.32Å; Y70-F80 AromaticContact CZ-CE1 3.34Å; Y70-F80 AromaticContact CZ-CE2 3.77Å; Y70-F80 AromaticContact CZ-CZ 3.1Å; Y70-F80 WeakPolarHBondContact OH-CZ 3.36Å
71	K	94.6	Very high	91.8	Very high	117 Å²	117	71.8 Å²	71.8	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.6	174.6	-172.7	-173.3	176.3	-160.8	0	108	V59 E73	V59-K71 CarbonylContact O-C 3.47Å; V59-K71 WeakPolarHBondContact O-CA 3.49Å; K71-E73 WeakPolarHBondContact CE-OE1 3.44Å; K71-E73 IonicContact NZ-OE1 2.64Å; K71-E73 PolarHBondContact NZ-OE1 3.06Å
72	G	93.9	Very high	91.6	Very high	3 Å²	3	73.1 Å²	73.1	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.7	169.4	0	0	0	0	0	109.1	D58 V59 Y70	D58-G72 CarbonylContact C-O 3.5Å; D58-G72 WeakPolarHBondContact CA-O 3.24Å; V59-G72 PolarHBondContact N-O 2.79Å; V59-G72 PolarHBondContact O-N 2.99Å; Y70-G72 WeakPolarHBondContact OH-CA 3.37Å
73	E	93.1	Very high	91.2	Very high	125 Å²	125	75 Å²	75	58%	0.584	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	132	173.9	-67.6	-174.4	172.1	0	0	108.3	D58 K71 E75	D58-E73 WeakPolarHBondContact OD1-CA 3.36Å; K71-E73 WeakPolarHBondContact CE-OE1 3.44Å; K71-E73 IonicContact NZ-OE1 2.64Å; K71-E73 PolarHBondContact NZ-OE1 3.06Å; E73-E75 PolarHBondContact O-N 3.24Å
74	R	91	Very high	91.1	Very high	175 Å²	175	75 Å²	75	66%	0.66	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	47.8	178.5	-49.4	-162.8	163.2	166.8	-5.7	115.7	D56 I57 D58 M98	D56-R74 HydrophobicContact CB-CB 4.16Å; I57-R74 PolarHBondContact O-N 2.83Å; D58-R74 PolarHBondContact OD1-N 3.17Å; R74-M98 HydrophobicContact CB-CE 4.33Å; R74-M98 HydrophobicContact CG-CE 3.9Å; R74-M98 HydrophobicContact CG-SD 3.57Å; R74-M98 VanDerWaalsContact CG-SD 3.57Å; R74-M98 PolarHBondContact NE-SD 2.8Å
75	E	92.8	Very high	90.9	Very high	61 Å²	61	77.1 Å²	77.1	29%	0.285	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.9	176.1	-64.8	-169.3	-174	0	0	111.9	F47 I57 Y70 E73	F47-E75 HydrophobicContact CE2-CB 4.48Å; F47-E75 HydrophobicContact CZ-CB 4.14Å; I57-E75 PolarHBondContact N-O 2.73Å; I57-E75 PolarHBondContact O-N 3.49Å; Y70-E75 PolarHBondContact OH-OE1 3.01Å; Y70-E75 PolarHBondContact OH-OE2 2.78Å; E73-E75 PolarHBondContact O-N 3.24Å
76	S	91	Very high	90.8	Very high	66 Å²	66	76.9 Å²	76.9	46%	0.462	39%	0.393	S	S	.	.	S	Bend	trans	-94.3	-28.2	178.9	59.9	0	0	0	0	114.2	V49 L55	V49-S76 WeakPolarHBondContact CG2-O 3.45Å; V49-S76 PolarHBondContact N-O 3.17Å; L55-S76 WeakPolarHBondContact O-CA 3.45Å; L55-S76 WeakPolarHBondContact O-CB 3.47Å
77	S	89.7	Confident	90.9	Very high	66 Å²	66	77.1 Å²	77.1	46%	0.462	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	153.9	177.6	59.3	0	0	0	0	109.5	F47	F47-S77 WeakPolarHBondContact O-CA 3.11Å
78	G	89.4	Confident	90.9	Very high	17 Å²	17	71.1 Å²	71.1	18%	0.175	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	148.5	179.5	0	0	0	0	0	113.1	M46 F47	M46-G78 WeakPolarHBondContact CA-O 3.48Å; F47-G78 PolarHBondContact N-O 3.41Å; F47-G78 PolarHBondContact O-N 3.16Å
79	K	89.8	Confident	91	Very high	129 Å²	129	68.5 Å²	68.5	56%	0.561	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.2	173.4	175.7	171.1	-175.2	179.3	0	109.3	M46	M46-K79 HydrophobicContact CE-CD 4.11Å; M46-K79 HydrophobicContact CG-CB 3.95Å; M46-K79 HydrophobicContact CG-CD 4.02Å; M46-K79 HydrophobicContact CG-CG 3.65Å; M46-K79 HydrophobicContact SD-CD 3.75Å; M46-K79 HydrophobicContact SD-CG 4.09Å
80	F	89.7	Confident	91.1	Very high	47 Å²	47	65.6 Å²	65.6	21%	0.206	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.3	-176.5	-62	-78.5	0	0	0	109.6	N44 F45 F47 Y70	N44-F80 WeakPolarHBondContact CA-O 3.02Å; F45-F80 HydrophobicContact CD1-CB 4.44Å; F45-F80 HydrophobicContact CD1-CD2 4.13Å; F45-F80 PolarHBondContact N-O 2.83Å; F45-F80 PolarHBondContact O-N 2.91Å; F47-F80 HydrophobicContact CE1-CD2 4.3Å; F47-F80 AromaticContact CE1-CE2 3.76Å; F47-F80 HydrophobicContact CE1-CE2 3.76Å; Y70-F80 HydrophobicContact CD1-CD1 4.42Å; Y70-F80 HydrophobicContact CD1-CD2 4.5Å; Y70-F80 HydrophobicContact CD1-CE1 4.35Å; Y70-F80 HydrophobicContact CD1-CE2 4.42Å; Y70-F80 HydrophobicContact CD1-CZ 4.37Å; Y70-F80 HydrophobicContact CD2-CD1 4.09Å; Y70-F80 AromaticContact CD2-CE1 3.81Å; Y70-F80 HydrophobicContact CD2-CE1 3.81Å; Y70-F80 HydrophobicContact CD2-CZ 4.42Å; Y70-F80 HydrophobicContact CE1-CD1 4.35Å; Y70-F80 HydrophobicContact CE1-CD2 4.18Å; Y70-F80 AromaticContact CE1-CE1 3.88Å; Y70-F80 HydrophobicContact CE1-CE1 3.88Å; Y70-F80 AromaticContact CE1-CE2 3.69Å; Y70-F80 HydrophobicContact CE1-CE2 3.69Å; Y70-F80 HydrophobicContact CE1-CG 4.5Å; Y70-F80 AromaticContact CE1-CZ 3.54Å; Y70-F80 HydrophobicContact CE1-CZ 3.54Å; Y70-F80 HydrophobicContact CE2-CD1 4.04Å; Y70-F80 AromaticContact CE2-CE1 3.29Å; Y70-F80 HydrophobicContact CE2-CE1 3.29Å; Y70-F80 AromaticContact CE2-CZ 3.62Å; Y70-F80 HydrophobicContact CE2-CZ 3.62Å; Y70-F80 HydrophobicContact CG-CD1 4.3Å; Y70-F80 HydrophobicContact CG-CE1 4.32Å; Y70-F80 AromaticContact CZ-CE1 3.34Å; Y70-F80 AromaticContact CZ-CE2 3.77Å; Y70-F80 AromaticContact CZ-CZ 3.1Å; Y70-F80 WeakPolarHBondContact OH-CZ 3.36Å
81	T	87.2	Confident	91.2	Very high	96 Å²	96	64.6 Å²	64.6	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.8	171.9	-57.5	0	0	0	0	108	M43	M43-T81 VanDerWaalsContact O-CA 3.29Å; M43-T81 WeakPolarHBondContact O-CA 3.48Å
82	F	90.2	Very high	91.2	Very high	30 Å²	30	59 Å²	59	13%	0.132	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160	179.5	69.7	-86.5	0	0	0	110.2	M43 I61 V69 Y90 Y92	M43-F82 HydrophobicContact CB-CE1 4.17Å; M43-F82 HydrophobicContact CB-CE2 4.45Å; M43-F82 HydrophobicContact CB-CZ 4.12Å; M43-F82 PolarHBondContact N-O 3.38Å; M43-F82 PolarHBondContact O-N 3Å; M43-F82 HydrophobicContact SD-CE2 3.92Å; M43-F82 HydrophobicContact SD-CZ 3.79Å; I61-F82 HydrophobicContact CD1-CE1 4.08Å; I61-F82 HydrophobicContact CG2-CE1 4.11Å; I61-F82 HydrophobicContact CG2-CZ 3.9Å; V69-F82 HydrophobicContact CG1-CD2 4.22Å; V69-F82 HydrophobicContact CG1-CG 4.41Å; F82-Y90 AromaticContact CE2-CD1 3.76Å; F82-Y90 HydrophobicContact CE2-CD1 3.76Å; F82-Y90 AromaticContact CE2-CE1 3.79Å; F82-Y90 HydrophobicContact CE2-CE1 3.79Å; F82-Y90 HydrophobicContact CZ-CD1 4.06Å; F82-Y92 HydrophobicContact CE1-CE1 4.08Å; F82-Y92 HydrophobicContact CZ-CE1 4.31Å; F82-Y92 VanDerWaalsContact CZ-OH 3.28Å; F82-Y92 WeakPolarHBondContact CZ-OH 3.24Å
83	S	87.9	Confident	91.2	Very high	66 Å²	66	59.1 Å²	59.1	46%	0.462	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.8	174.1	-53.9	0	0	0	0	109.2	T41 H85	T41-S83 CarbonylContact O-C 3.5Å; T41-S83 WeakPolarHBondContact O-CA 3.34Å; S83-H85 PolarHBondContact O-N 2.98Å; S83-H85 VanDerWaalsContact O-N 3.17Å
84	A	90.5	Very high	91.4	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	29%	0.286	C	S	.	.			trans	-61	116.4	176.5	0	0	0	0	0	109.8	V37 T38 S39 G40 T41 M86 Y90	V37-A84 HydrophobicContact CG2-CB 3.73Å; T38-A84 WeakPolarHBondContact O-CB 3.27Å; S39-A84 WeakPolarHBondContact CA-O 3.4Å; G40-A84 PolarHBondContact N-O 3.37Å; T41-A84 PolarHBondContact O-N 3.36Å; A84-M86 VanDerWaalsContact C-N 3.32Å; A84-Y90 WeakPolarHBondContact CA-OH 3.29Å; A84-Y90 HydrophobicContact CB-CE2 3.86Å
85	H	89.6	Confident	91.5	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.417	26%	0.258	S	S	.	.	S	Bend	trans	-72.4	-27	177.6	63.9	-81.2	0	0	0	112.6	S39 D65 S83 Y90	S39-H85 PolarHBondContact OG-O 3.3Å; D65-H85 VanDerWaalsContact CG-NE2 3.32Å; D65-H85 IonicContact OD1-CE1 3.64Å; D65-H85 IonicContact OD1-NE2 3.3Å; D65-H85 PolarHBondContact OD1-NE2 3.2Å; D65-H85 IonicContact OD2-CD2 3.88Å; D65-H85 IonicContact OD2-CE1 3.91Å; D65-H85 IonicContact OD2-NE2 2.98Å; D65-H85 PolarHBondContact OD2-NE2 2.95Å; S83-H85 PolarHBondContact O-N 2.98Å; S83-H85 VanDerWaalsContact O-N 3.17Å; H85-Y90 AromaticContact CE1-CE1 3.84Å; H85-Y90 AromaticContact CE1-CZ 3.88Å; H85-Y90 PolarHBondContact CE1-OH 3.16Å; H85-Y90 VanDerWaalsContact CE1-OH 3.24Å; H85-Y90 PolarHBondContact N-OH 3.32Å; H85-Y90 AromaticContact ND1-CE1 3.74Å; H85-Y90 AromaticContact ND1-CZ 3.65Å; H85-Y90 PolarHBondContact ND1-OH 3.47Å
86	M	89.5	Confident	91.5	Very high	60 Å²	60	42.2 Å²	42.2	30%	0.296	24%	0.244	S	C	.	.	S	Bend	trans	-146.9	157.2	-177.4	63	-177.5	-68.4	0	0	111.4	P64 D65 A84 Y90	P64-M86 HydrophobicContact CB-CE 4.13Å; P64-M86 HydrophobicContact CB-SD 4.44Å; P64-M86 HydrophobicContact CG-CE 3.75Å; P64-M86 HydrophobicContact CG-CG 3.49Å; P64-M86 VanDerWaalsContact CG-CG 3.49Å; P64-M86 HydrophobicContact CG-SD 3.64Å; D65-M86 HydrophobicContact CB-CE 4.19Å; D65-M86 HydrophobicContact CB-SD 3.5Å; D65-M86 WeakPolarHBondContact CB-SD 3.4Å; D65-M86 PolarHBondContact N-SD 2.93Å; A84-M86 VanDerWaalsContact C-N 3.32Å; M86-Y90 PolarHBondContact N-OH 3.25Å; M86-Y90 PolarHBondContact O-OH 3.36Å
87	D	91.5	Very high	91.4	Very high	107 Å²	107	44.4 Å²	44.4	57%	0.572	25%	0.245	S	C	*	.	S	Bend	trans	-67.7	132.1	172.3	-61.6	-38.5	0	0	0	110.1	T38 S39	T38-D87 VanDerWaalsContact C-OD1 3.31Å; T38-D87 WeakPolarHBondContact CA-OD1 3.49Å; T38-D87 WeakPolarHBondContact CB-OD1 3.49Å; S39-D87 PolarHBondContact N-OD1 3.14Å
88	G	91.9	Very high	91.3	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-161.6	172	0	0	0	0	0	113.7	R36 V37	R36-G88 WeakPolarHBondContact CA-O 3.41Å; V37-G88 PolarHBondContact N-O 2.85Å; V37-G88 PolarHBondContact O-N 2.89Å
89	V	92.9	Very high	91	Very high	55 Å²	55	43.5 Å²	43.5	33%	0.333	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.5	-177.2	-177.4	0	0	0	0	109.8	F34 E35 R36 P64	F34-V89 HydrophobicContact CB-CG1 3.73Å; F34-V89 HydrophobicContact CD1-CG1 3.94Å; F34-V89 HydrophobicContact CG-CG1 4.31Å; E35-V89 CarbonylContact O-C 3.54Å; E35-V89 WeakPolarHBondContact O-CA 3.19Å; R36-V89 HydrophobicContact CB-CG2 4.31Å; R36-V89 HydrophobicContact CG-CG2 4.33Å; P64-V89 WeakPolarHBondContact CA-O 3.28Å; P64-V89 WeakPolarHBondContact CB-O 3.49Å
90	Y	94	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.1	168.7	-75.5	-102.6	0	0	0	109.1	E35 V37 M43 V62 P64 V69 F82 A84 H85 M86	E35-Y90 PolarHBondContact N-O 2.9Å; E35-Y90 PolarHBondContact O-N 3.01Å; V37-Y90 HydrophobicContact CG2-CD2 3.31Å; V37-Y90 HydrophobicContact CG2-CE2 3.5Å; V37-Y90 HydrophobicContact CG2-CG 4.35Å; M43-Y90 HydrophobicContact SD-CD2 4.48Å; M43-Y90 HydrophobicContact SD-CG 4.4Å; V62-Y90 WeakPolarHBondContact O-CA 3.47Å; P64-Y90 HydrophobicContact CG-CE2 4.21Å; V69-Y90 HydrophobicContact CG2-CE1 4.13Å; F82-Y90 AromaticContact CE2-CD1 3.76Å; F82-Y90 HydrophobicContact CE2-CD1 3.76Å; F82-Y90 AromaticContact CE2-CE1 3.79Å; F82-Y90 HydrophobicContact CE2-CE1 3.79Å; F82-Y90 HydrophobicContact CZ-CD1 4.06Å; A84-Y90 WeakPolarHBondContact CA-OH 3.29Å; A84-Y90 HydrophobicContact CB-CE2 3.86Å; H85-Y90 AromaticContact CE1-CE1 3.84Å; H85-Y90 AromaticContact CE1-CZ 3.88Å; H85-Y90 PolarHBondContact CE1-OH 3.16Å; H85-Y90 VanDerWaalsContact CE1-OH 3.24Å; H85-Y90 PolarHBondContact N-OH 3.32Å; H85-Y90 AromaticContact ND1-CE1 3.74Å; H85-Y90 AromaticContact ND1-CZ 3.65Å; H85-Y90 PolarHBondContact ND1-OH 3.47Å; M86-Y90 PolarHBondContact N-OH 3.25Å; M86-Y90 PolarHBondContact O-OH 3.36Å
91	T	94.5	Very high	90.2	Very high	25 Å²	25	48.3 Å²	48.3	15%	0.153	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.7	-175.7	-51.6	0	0	0	0	109.9	C32 F33 F34 I61 V62	C32-T91 HydrophobicContact CB-CG2 4.05Å; F33-T91 CarbonylContact O-C 3.58Å; F33-T91 WeakPolarHBondContact O-CA 3.08Å; F34-T91 HydrophobicContact CD1-CG2 3.69Å; F34-T91 VanDerWaalsContact CD1-OG1 3.26Å; F34-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F34-T91 HydrophobicContact CE1-CG2 3.35Å; F34-T91 WeakPolarHBondContact CE1-OG1 3.39Å; F34-T91 HydrophobicContact CZ-CG2 4.03Å; I61-T91 WeakPolarHBondContact CA-O 3.39Å; V62-T91 PolarHBondContact N-O 2.89Å; V62-T91 PolarHBondContact O-N 3.37Å
92	Y	94.4	Very high	90.2	Very high	1 Å²	1	47 Å²	47	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.9	176.3	-59.8	-94	0	0	0	108.5	C32 F33 E35 M43 F45 I61 F82	C32-Y92 CarbonylContact C-O 3.57Å; C32-Y92 VanDerWaalsContact CA-O 3.29Å; C32-Y92 WeakPolarHBondContact CA-O 3.26Å; F33-Y92 PolarHBondContact N-O 2.97Å; F33-Y92 PolarHBondContact O-N 3.46Å; E35-Y92 HydrophobicContact CB-CE2 4.28Å; M43-Y92 HydrophobicContact CE-CE2 4.07Å; M43-Y92 WeakPolarHBondContact CE-OH 3.29Å; M43-Y92 PolarHBondContact SD-OH 3.44Å; F45-Y92 HydrophobicContact CB-CD1 4.42Å; F45-Y92 HydrophobicContact CB-CE1 3.82Å; F45-Y92 HydrophobicContact CD1-CD1 4.19Å; F45-Y92 HydrophobicContact CD1-CE1 4.31Å; F45-Y92 AromaticContact CD2-CD1 3.55Å; F45-Y92 HydrophobicContact CD2-CD1 3.55Å; F45-Y92 AromaticContact CD2-CE1 3.77Å; F45-Y92 HydrophobicContact CD2-CE1 3.77Å; F45-Y92 HydrophobicContact CD2-CG 4.32Å; F45-Y92 HydrophobicContact CE1-CD1 4.33Å; F45-Y92 AromaticContact CE2-CD1 3.72Å; F45-Y92 HydrophobicContact CE2-CD1 3.72Å; F45-Y92 HydrophobicContact CE2-CE1 4.4Å; F45-Y92 HydrophobicContact CE2-CG 4.26Å; F45-Y92 AromaticContact CG-CD1 3.79Å; F45-Y92 HydrophobicContact CG-CD1 3.79Å; F45-Y92 AromaticContact CG-CE1 3.7Å; F45-Y92 HydrophobicContact CG-CE1 3.7Å; F45-Y92 HydrophobicContact CZ-CD1 4.11Å; I61-Y92 HydrophobicContact CD1-CD1 4.03Å; I61-Y92 HydrophobicContact CD1-CE1 3.88Å; I61-Y92 HydrophobicContact CG1-CD1 3.81Å; I61-Y92 HydrophobicContact CG1-CE1 4.07Å; I61-Y92 HydrophobicContact CG2-CD1 4.15Å; I61-Y92 HydrophobicContact CG2-CE1 3.91Å; F82-Y92 HydrophobicContact CE1-CE1 4.08Å; F82-Y92 HydrophobicContact CZ-CE1 4.31Å; F82-Y92 VanDerWaalsContact CZ-OH 3.28Å; F82-Y92 WeakPolarHBondContact CZ-OH 3.24Å
93	C	95.5	Very high	90.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.2	178.2	-56.9	0	0	0	0	111.9	Q31 C32 V59 K60	Q31-C93 CarbonylContact O-C 3.59Å; Q31-C93 VanDerWaalsContact O-CA 3.24Å; Q31-C93 WeakPolarHBondContact O-CA 3.08Å; C32-C93 HydrophobicContact CB-CB 4.1Å; C32-C93 WeakPolarHBondContact CB-SG 3.39Å; C32-C93 WeakPolarHBondContact SG-CB 3.14Å; C32-C93 CovalentContact SG-SG 2.04Å; C32-C93 PolarHBondContact SG-SG 3.09Å; V59-C93 WeakPolarHBondContact CA-O 3.37Å; K60-C93 HydrophobicContact CD-CB 4.11Å; K60-C93 WeakPolarHBondContact CE-SG 3.5Å; K60-C93 HydrophobicContact CG-CB 3.61Å; K60-C93 PolarHBondContact N-O 3.44Å; K60-C93 PolarHBondContact O-N 3.35Å
94	F	95.5	Very high	90.4	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.9	174.2	-63.1	-77.9	0	0	0	108.5	V25 E30 Q31 F33 F45 F47 I57 D58 V59 V106 F108	V25-F94 HydrophobicContact CG2-CB 4.01Å; E30-F94 CarbonylContact C-O 3.57Å; E30-F94 VanDerWaalsContact CA-O 3.23Å; E30-F94 WeakPolarHBondContact CA-O 3.35Å; Q31-F94 PolarHBondContact N-O 2.88Å; Q31-F94 PolarHBondContact O-N 2.82Å; F33-F94 HydrophobicContact CD2-CD2 4.02Å; F33-F94 AromaticContact CD2-CE2 3.94Å; F33-F94 HydrophobicContact CD2-CE2 3.94Å; F33-F94 AromaticContact CE2-CD2 3.89Å; F33-F94 HydrophobicContact CE2-CD2 3.89Å; F33-F94 HydrophobicContact CE2-CE2 4.01Å; F45-F94 HydrophobicContact CE2-CE1 4.49Å; F45-F94 HydrophobicContact CE2-CE2 4.44Å; F45-F94 AromaticContact CE2-CZ 3.72Å; F45-F94 HydrophobicContact CE2-CZ 3.72Å; F45-F94 AromaticContact CZ-CE1 3.78Å; F45-F94 HydrophobicContact CZ-CE1 3.78Å; F45-F94 HydrophobicContact CZ-CE2 4.39Å; F45-F94 AromaticContact CZ-CZ 3.44Å; F45-F94 HydrophobicContact CZ-CZ 3.44Å; F45-F94 VanDerWaalsContact CZ-CZ 3.44Å; F47-F94 HydrophobicContact CB-CE1 3.75Å; F47-F94 HydrophobicContact CB-CZ 4.15Å; F47-F94 HydrophobicContact CD1-CE1 4.46Å; F47-F94 HydrophobicContact CD2-CE1 4.41Å; F47-F94 AromaticContact CG-CE1 3.98Å; F47-F94 HydrophobicContact CG-CE1 3.98Å; I57-F94 HydrophobicContact CD1-CB 3.75Å; I57-F94 HydrophobicContact CD1-CD1 4.28Å; I57-F94 HydrophobicContact CD1-CG 4.46Å; D58-F94 CarbonylContact O-C 3.56Å; D58-F94 WeakPolarHBondContact O-CA 3.22Å; V59-F94 HydrophobicContact CG2-CD1 3.93Å; V59-F94 HydrophobicContact CG2-CE1 4.17Å; F94-V106 HydrophobicContact CD1-CG1 4.12Å; F94-V106 HydrophobicContact CE1-CG1 3.92Å; F94-V106 HydrophobicContact CZ-CG1 4.41Å; F94-F108 HydrophobicContact CE2-CB 4.33Å; F94-F108 AromaticContact CE2-CD1 3.66Å; F94-F108 HydrophobicContact CE2-CD1 3.66Å; F94-F108 HydrophobicContact CE2-CE1 4.08Å; F94-F108 AromaticContact CE2-CG 3.96Å; F94-F108 HydrophobicContact CE2-CG 3.96Å; F94-F108 HydrophobicContact CZ-CB 3.7Å; F94-F108 AromaticContact CZ-CD1 3.88Å; F94-F108 HydrophobicContact CZ-CD1 3.88Å; F94-F108 AromaticContact CZ-CG 3.85Å; F94-F108 HydrophobicContact CZ-CG 3.85Å
95	G	94.2	Very high	90.4	Very high	6 Å²	6	47.3 Å²	47.3	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.7	-176.9	0	0	0	0	0	112.1	I57 D58	I57-G95 WeakPolarHBondContact CG1-O 3.31Å; D58-G95 PolarHBondContact N-O 2.92Å; D58-G95 PolarHBondContact O-N 3.38Å
96	N	93.3	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.			trans	-114.8	38.6	174.7	-168.1	27.4	0	0	0	111.3	V25 D26 N28 E29 M98 S99 T102 K104	V25-N96 HydrophobicContact CB-CB 4.29Å; V25-N96 HydrophobicContact CG1-CB 3.67Å; V25-N96 PolarHBondContact O-ND2 3.3Å; D26-N96 WeakPolarHBondContact O-CB 3.2Å; D26-N96 PolarHBondContact O-ND2 3.07Å; N28-N96 PolarHBondContact N-O 3.37Å; E29-N96 PolarHBondContact O-N 2.82Å; N96-M98 VanDerWaalsContact C-N 3.3Å; N96-M98 PolarHBondContact O-N 2.83Å; N96-S99 PolarHBondContact O-N 3.04Å; N96-S99 WeakPolarHBondContact OD1-CB 3.48Å; N96-S99 PolarHBondContact OD1-OG 3.39Å; N96-T102 PolarHBondContact ND2-O 3.42Å; N96-T102 VanDerWaalsContact ND2-O 3.11Å; N96-K104 VanDerWaalsContact OD1-CD 3.22Å; N96-K104 WeakPolarHBondContact OD1-CD 3.37Å; N96-K104 VanDerWaalsContact OD1-CE 3.29Å; N96-K104 WeakPolarHBondContact OD1-CE 3.42Å; N96-K104 PolarHBondContact OD1-NZ 2.87Å
97	K	89.2	Confident	90.4	Very high	111 Å²	111	43 Å²	43	48%	0.483	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.3	-175.4	-69.9	-179.3	-173.7	169.1	0	114	E30	E30-K97 VanDerWaalsContact OE2-CE 3.22Å; E30-K97 WeakPolarHBondContact OE2-CE 3.42Å; E30-K97 IonicContact OE2-NZ 2.75Å; E30-K97 PolarHBondContact OE2-NZ 2.98Å
98	M	85.6	Confident	90.2	Very high	50 Å²	50	40 Å²	40	25%	0.246	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.2	-179	59.8	177.3	168.7	0	0	114.4	D56 R74 N96	D56-M98 HydrophobicContact CB-CE 3.64Å; D56-M98 VanDerWaalsContact O-CE 3.28Å; D56-M98 WeakPolarHBondContact O-CE 3.48Å; D56-M98 WeakPolarHBondContact OD2-CE 3.48Å; D56-M98 VanDerWaalsContact OD2-SD 3.36Å; R74-M98 HydrophobicContact CB-CE 4.33Å; R74-M98 HydrophobicContact CG-CE 3.9Å; R74-M98 HydrophobicContact CG-SD 3.57Å; R74-M98 VanDerWaalsContact CG-SD 3.57Å; R74-M98 PolarHBondContact NE-SD 2.8Å; N96-M98 VanDerWaalsContact C-N 3.3Å; N96-M98 PolarHBondContact O-N 2.83Å
99	S	84	Confident	89.9	Confident	15 Å²	15	42.8 Å²	42.8	11%	0.105	24%	0.235	C	C	.	.			trans	-80.4	125.6	178.1	-76.2	0	0	0	0	109.9	N96 K104	N96-S99 PolarHBondContact O-N 3.04Å; N96-S99 WeakPolarHBondContact OD1-CB 3.48Å; N96-S99 PolarHBondContact OD1-OG 3.39Å; S99-K104 VanDerWaalsContact OG-CE 3.22Å; S99-K104 WeakPolarHBondContact OG-CE 3.43Å; S99-K104 PolarHBondContact OG-NZ 2.82Å
100	T	79.8	Confident	89.5	Confident	119 Å²	119	42.6 Å²	42.6	73%	0.73	23%	0.231	S	C	*	.	S	Bend	trans	-78	-29.2	-177.1	50.3	0	0	0	0	112.9
101	M	83.3	Confident	89	Confident	157 Å²	157	45.4 Å²	45.4	77%	0.773	25%	0.246	S	C	*	.	S	Bend	trans	-142.1	-33.5	-166.8	-65.1	-69.9	138.1	0	0	115.2
102	T	87.5	Confident	88.5	Confident	68 Å²	68	45.2 Å²	45.2	42%	0.417	25%	0.245	S	C	.	.			trans	-101.8	134.7	-170.2	50.3	0	0	0	0	113	N96	N96-T102 PolarHBondContact ND2-O 3.42Å; N96-T102 VanDerWaalsContact ND2-O 3.11Å
103	P	90.6	Very high	87.6	Confident	65 Å²	65	48.5 Å²	48.5	42%	0.422	26%	0.262	S	S	.	.			trans	-69	155.6	169.5	31.4	-34.8	0	0	0	110.2	V25	V25-P103 WeakPolarHBondContact O-CA 3.45Å
104	K	92.1	Very high	86.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.4	175	-71.2	-179.5	179.9	149.8	0	110.3	S24 V25 E51 D56 N96 S99	S24-K104 WeakPolarHBondContact CA-O 3.48Å; V25-K104 PolarHBondContact N-O 3.23Å; V25-K104 PolarHBondContact O-N 3.25Å; E51-K104 CarbonylContact O-C 3.53Å; E51-K104 WeakPolarHBondContact O-CA 3.49Å; D56-K104 WeakPolarHBondContact O-CD 3.38Å; D56-K104 WeakPolarHBondContact O-CE 3.5Å; D56-K104 PolarHBondContact O-NZ 2.95Å; D56-K104 WeakPolarHBondContact OD1-CE 3.16Å; D56-K104 IonicContact OD1-NZ 2.74Å; D56-K104 PolarHBondContact OD1-NZ 2.8Å; N96-K104 VanDerWaalsContact OD1-CD 3.22Å; N96-K104 WeakPolarHBondContact OD1-CD 3.37Å; N96-K104 VanDerWaalsContact OD1-CE 3.29Å; N96-K104 WeakPolarHBondContact OD1-CE 3.42Å; N96-K104 PolarHBondContact OD1-NZ 2.87Å; S99-K104 VanDerWaalsContact OG-CE 3.22Å; S99-K104 WeakPolarHBondContact OG-CE 3.43Å; S99-K104 PolarHBondContact OG-NZ 2.82Å
105	I	89.3	Confident	84.6	Confident	41 Å²	41	54.6 Å²	54.6	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.8	178.6	-57.8	-173.5	0	0	0	108.6	F22 V49 A50 E51	F22-I105 HydrophobicContact CB-CG2 3.47Å; F22-I105 VanDerWaalsContact CB-CG2 3.47Å; F22-I105 HydrophobicContact CD1-CG2 3.46Å; F22-I105 VanDerWaalsContact CD1-CG2 3.46Å; F22-I105 HydrophobicContact CE1-CG2 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.77Å; V49-I105 CarbonylContact C-O 3.59Å; A50-I105 HydrophobicContact CB-CB 4.49Å; A50-I105 HydrophobicContact CB-CG2 4.22Å; A50-I105 PolarHBondContact N-O 2.84Å; E51-I105 HydrophobicContact CB-CB 4.06Å; E51-I105 HydrophobicContact CB-CD1 4.03Å; E51-I105 HydrophobicContact CB-CG1 4.1Å; E51-I105 HydrophobicContact CG-CD1 4.31Å; E51-I105 PolarHBondContact N-O 3.09Å; E51-I105 PolarHBondContact O-N 2.69Å; E51-I105 WeakPolarHBondContact OE2-CD1 3.29Å
106	V	91.4	Very high	82.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.8	-178.5	-174.5	0	0	0	0	110.5	V23 F47 V49 I57 F94	V23-V106 PolarHBondContact N-O 2.94Å; V23-V106 PolarHBondContact O-N 3.41Å; F47-V106 HydrophobicContact CB-CG1 4.17Å; V49-V106 HydrophobicContact CG2-CG2 4.15Å; I57-V106 HydrophobicContact CD1-CG2 3.47Å; I57-V106 VanDerWaalsContact CD1-CG2 3.47Å; F94-V106 HydrophobicContact CD1-CG1 4.12Å; F94-V106 HydrophobicContact CE1-CG1 3.92Å; F94-V106 HydrophobicContact CZ-CG1 4.41Å
107	M	87.4	Confident	80.1	Confident	60 Å²	60	61.9 Å²	61.9	30%	0.296	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134	165.4	-63.8	-174.9	-67.7	0	0	108.3	F22 F47 E48 A50	F22-M107 HydrophobicContact CD1-CG 3.41Å; F22-M107 VanDerWaalsContact CD1-CG 3.41Å; F22-M107 HydrophobicContact CD1-SD 4.06Å; F22-M107 HydrophobicContact CE1-CE 4.32Å; F22-M107 HydrophobicContact CE1-CG 3.32Å; F22-M107 HydrophobicContact CE1-SD 3.32Å; F22-M107 WeakPolarHBondContact CE1-SD 3.24Å; F22-M107 HydrophobicContact CZ-CG 4.35Å; F22-M107 HydrophobicContact CZ-SD 3.89Å; F47-M107 CarbonylContact C-O 3.56Å; F47-M107 VanDerWaalsContact CA-O 3.24Å; F47-M107 WeakPolarHBondContact CA-O 3.05Å; E48-M107 HydrophobicContact CB-CE 4.45Å; E48-M107 HydrophobicContact CG-CE 4.49Å; E48-M107 PolarHBondContact N-O 2.82Å; E48-M107 PolarHBondContact O-N 2.83Å; A50-M107 HydrophobicContact CB-CE 4.25Å; A50-M107 HydrophobicContact CB-CG 4.43Å
108	F	88.9	Confident	77.6	Confident	43 Å²	43	62.1 Å²	62.1	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.1	172.9	68.4	-94.3	0	0	0	112.2	V23 F33 F45 M46 F47 F94 M110	V23-F108 HydrophobicContact CB-CE1 4.17Å; V23-F108 HydrophobicContact CG2-CD1 4.5Å; V23-F108 HydrophobicContact CG2-CE1 3.63Å; V23-F108 HydrophobicContact CG2-CZ 4.38Å; F33-F108 AromaticContact CD1-CZ 3.9Å; F33-F108 HydrophobicContact CD1-CZ 3.9Å; F33-F108 HydrophobicContact CD2-CE1 4.09Å; F33-F108 AromaticContact CD2-CZ 3.89Å; F33-F108 HydrophobicContact CD2-CZ 3.89Å; F33-F108 HydrophobicContact CE1-CE1 4.2Å; F33-F108 AromaticContact CE1-CZ 3.74Å; F33-F108 HydrophobicContact CE1-CZ 3.74Å; F33-F108 AromaticContact CE2-CE1 3.56Å; F33-F108 HydrophobicContact CE2-CE1 3.56Å; F33-F108 AromaticContact CE2-CZ 3.72Å; F33-F108 HydrophobicContact CE2-CZ 3.72Å; F33-F108 AromaticContact CG-CZ 3.99Å; F33-F108 HydrophobicContact CG-CZ 3.99Å; F33-F108 AromaticContact CZ-CE1 3.64Å; F33-F108 HydrophobicContact CZ-CE1 3.64Å; F33-F108 AromaticContact CZ-CZ 3.66Å; F33-F108 HydrophobicContact CZ-CZ 3.66Å; F45-F108 HydrophobicContact CE2-CB 4.39Å; M46-F108 CarbonylContact O-C 3.56Å; M46-F108 WeakPolarHBondContact O-CA 3.44Å; M46-F108 WeakPolarHBondContact O-CB 3.3Å; F47-F108 HydrophobicContact CB-CB 4.05Å; F94-F108 HydrophobicContact CE2-CB 4.33Å; F94-F108 AromaticContact CE2-CD1 3.66Å; F94-F108 HydrophobicContact CE2-CD1 3.66Å; F94-F108 HydrophobicContact CE2-CE1 4.08Å; F94-F108 AromaticContact CE2-CG 3.96Å; F94-F108 HydrophobicContact CE2-CG 3.96Å; F94-F108 HydrophobicContact CZ-CB 3.7Å; F94-F108 AromaticContact CZ-CD1 3.88Å; F94-F108 HydrophobicContact CZ-CD1 3.88Å; F94-F108 AromaticContact CZ-CG 3.85Å; F94-F108 HydrophobicContact CZ-CG 3.85Å; F108-M110 HydrophobicContact CD2-CE 4.16Å; F108-M110 HydrophobicContact CE2-CE 3.64Å
109	T	84	Confident	75.7	Confident	76 Å²	76	63.5 Å²	63.5	47%	0.466	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.6	176.2	-59	0	0	0	0	108.8	F45 M46	F45-T109 WeakPolarHBondContact CA-O 3.43Å; M46-T109 PolarHBondContact N-O 2.92Å; M46-T109 PolarHBondContact O-N 2.77Å
110	M	85.8	Confident	73	Confident	51 Å²	51	68.7 Å²	68.7	25%	0.251	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.3	174.9	58.7	177	77.1	0	0	109.4	F33 E35 N44 F108	F33-M110 HydrophobicContact CB-CE 3.96Å; E35-M110 HydrophobicContact CB-SD 4.46Å; N44-M110 WeakPolarHBondContact O-CA 3.19Å; F108-M110 HydrophobicContact CD2-CE 4.16Å; F108-M110 HydrophobicContact CE2-CE 3.64Å
111	N	83.3	Confident	70.8	Confident	60 Å²	60	68.1 Å²	68.1	32%	0.321	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.1	177.3	-63.6	-57.4	0	0	0	108.8	M43 N44 L113	M43-N111 CarbonylContact C-O 3.59Å; M43-N111 WeakPolarHBondContact CA-O 3.23Å; N44-N111 HydrophobicContact CB-CB 4.28Å; N44-N111 PolarHBondContact N-O 2.83Å; N44-N111 PolarHBondContact O-N 3.17Å; N111-L113 HydrophobicContact CB-CD1 4.25Å
112	V	84.4	Confident	68.7	Low	21 Å²	21	66.8 Å²	66.8	13%	0.127	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.4	176.1	-176.5	0	0	0	0	108.2	E35 V37 T41 M43 Y129	E35-V112 HydrophobicContact CG-CG2 3.78Å; V37-V112 HydrophobicContact CG1-CG1 3.62Å; V37-V112 HydrophobicContact CG1-CG2 4.11Å; T41-V112 HydrophobicContact CG2-CG1 3.3Å; M43-V112 HydrophobicContact CE-CG2 3.97Å; V112-Y129 PolarHBondContact O-OH 2.8Å
113	L	73.7	Confident	66	Low	69 Å²	69	69.9 Å²	69.9	36%	0.361	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.3	175.6	-66.7	81	0	0	0	108.1	T41 K42 N111	T41-L113 WeakPolarHBondContact CG2-O 3.4Å; K42-L113 HydrophobicContact CB-CB 4.21Å; K42-L113 PolarHBondContact N-O 2.79Å; K42-L113 WeakPolarHBondContact O-CA 3.32Å; K42-L113 WeakPolarHBondContact O-CB 3.22Å; K42-L113 PolarHBondContact O-N 3.25Å; N111-L113 HydrophobicContact CB-CD1 4.25Å
114	S	68.1	Low	63.1	Low	75 Å²	75	76.3 Å²	76.3	52%	0.524	46%	0.455	S	S	.	.			trans	-59.1	136.9	178.5	-54.5	0	0	0	0	111.8	Q116	S114-Q116 PolarHBondContact O-N 3.37Å
115	P	60.1	Low	60	Low	59 Å²	59	79.1 Å²	79.1	38%	0.383	48%	0.484	S	S	.	.			trans	-84.9	81.4	-177.5	34.7	-30.7	0	0	0	108.9	G40 T41	G40-P115 WeakPolarHBondContact O-CB 3.33Å; T41-P115 WeakPolarHBondContact OG1-CD 3.05Å
116	Q	50.3	Low	57.3	Low	108 Å²	108	85.3 Å²	85.3	51%	0.505	52%	0.517	S	S	.	.			trans	62.7	124.5	166.5	-155.4	88.7	64.9	0	0	116.3	S114 T118	S114-Q116 PolarHBondContact O-N 3.37Å; Q116-T118 VanDerWaalsContact C-N 3.3Å; Q116-T118 PolarHBondContact O-N 3.48Å
117	S	42.6	Very low	54.3	Low	50 Å²	50	88 Å²	88	35%	0.35	55%	0.546	S	S	.	.			trans	-48.2	86.1	151.9	38.9	0	0	0	0	112.3	G119 Q133	S117-G119 PolarHBondContact O-N 2.92Å; S117-Q133 PolarHBondContact OG-OE1 3Å
118	T	38.4	Very low	51.8	Low	116 Å²	116	90.4 Å²	90.4	71%	0.712	58%	0.575	S	S	*	*			trans	-90.9	83.6	161.4	44.8	0	0	0	0	108.9	Q116 T120	Q116-T118 VanDerWaalsContact C-N 3.3Å; Q116-T118 PolarHBondContact O-N 3.48Å; T118-T120 PolarHBondContact O-N 3Å
119	G	43.8	Very low	49.4	Very low	79 Å²	79	95.1 Å²	95.1	81%	0.814	59%	0.593	S	S	*	*	S	Bend	trans	65.3	15.5	149	0	0	0	0	0	119.9	S117	S117-G119 PolarHBondContact O-N 2.92Å
120	T	28.6	Very low	47.2	Very low	124 Å²	124	96.1 Å²	96.1	76%	0.761	60%	0.602	S	S	*	*			trans	-104.6	123.2	168.4	46.9	0	0	0	0	110.6	T118	T118-T120 PolarHBondContact O-N 3Å
121	P	33.6	Very low	45	Very low	107 Å²	107	97.9 Å²	97.9	70%	0.695	62%	0.616	S	S	*	*			trans	-59.6	144.5	174.4	24.5	-30.8	0	0	0	109.3	T123	P121-T123 PolarHBondContact O-N 3Å
122	P	38	Very low	43.1	Very low	129 Å²	129	100.3 Å²	100.3	84%	0.838	63%	0.628	S	S	*	*			trans	-60.2	106.8	-169.9	22.8	-32.1	0	0	0	110.4	E124	P122-E124 PolarHBondContact O-N 3.45Å
123	T	31.1	Very low	41.2	Very low	134 Å²	134	104 Å²	104	82%	0.822	64%	0.643	S	S	*	*			trans	-69.3	107	159.8	40	0	0	0	0	107.3	P121 G125	P121-T123 PolarHBondContact O-N 3Å; T123-G125 PolarHBondContact O-N 2.9Å
124	E	30.9	Very low	39.9	Very low	200 Å²	200	105.5 Å²	105.5	94%	0.935	65%	0.651	S	S	*	*	S	Bend	trans	6.2	110.7	152.6	-107.5	177.2	161.2	0	0	115.6	P122	P122-E124 PolarHBondContact O-N 3.45Å
125	G	27.4	Very low	38.8	Very low	58 Å²	58	106.7 Å²	106.7	60%	0.598	66%	0.655	S	S	*	*			trans	126.1	107.1	160.3	0	0	0	0	0	114.8	T123	T123-G125 PolarHBondContact O-N 2.9Å
126	N	31	Very low	38.4	Very low	171 Å²	171	110.7 Å²	110.7	91%	0.914	67%	0.666	S	S	*	*	S	Bend	trans	83.6	105.5	146.2	-48.5	-21.8	0	0	0	117.2
127	G	29	Very low	38.5	Very low	58 Å²	58	113.8 Å²	113.8	60%	0.598	68%	0.679	S	S	*	*			trans	94.5	84.7	161.8	0	0	0	0	0	113.8	Y129	G127-Y129 WeakPolarHBondContact O-CD2 3.36Å; G127-Y129 PolarHBondContact O-N 2.81Å
128	A	35	Very low	38.8	Very low	111 Å²	111	120 Å²	120	92%	0.917	70%	0.7	S	S	*	*			trans	-63.5	92.7	171.9	0	0	0	0	0	110.7
129	Y	37.6	Very low	39	Very low	142 Å²	142	120.6 Å²	120.6	56%	0.557	70%	0.698	S	S	*	*			trans	-76.2	119.7	158	-69.6	-85.4	0	0	0	107.9	V112 G127 T131	V112-Y129 PolarHBondContact O-OH 2.8Å; G127-Y129 WeakPolarHBondContact O-CD2 3.36Å; G127-Y129 PolarHBondContact O-N 2.81Å; Y129-T131 PolarHBondContact O-N 2.83Å
130	C	39.5	Very low	39.4	Very low	96 Å²	96	123.4 Å²	123.4	65%	0.649	69%	0.694	S	S	*	*			trans	-70.2	80.3	172.7	-178.2	0	0	0	0	109	L132 K166	C130-L132 PolarHBondContact O-N 2.87Å; C130-K166 PolarHBondContact O-NZ 3.35Å
131	T	38	Very low	40.5	Very low	89 Å²	89	123.3 Å²	123.3	55%	0.546	69%	0.693	S	S	.	*			trans	-71.4	107.1	167.8	46.9	0	0	0	0	107.6	Y129 Q133	Y129-T131 PolarHBondContact O-N 2.83Å; T131-Q133 PolarHBondContact O-N 2.82Å
132	L	44.8	Very low	41.4	Very low	111 Å²	111	126.3 Å²	126.3	58%	0.581	70%	0.698	S	S	*	*			trans	-69.9	81.6	166.7	-167.5	95.9	0	0	0	107.6	C130 I134	C130-L132 PolarHBondContact O-N 2.87Å; L132-I134 HydrophobicContact CD2-CD1 3.98Å; L132-I134 HydrophobicContact CD2-CG1 4.04Å; L132-I134 HydrophobicContact CG-CG1 4.3Å; L132-I134 PolarHBondContact O-N 2.89Å
133	Q	43.3	Very low	42	Very low	97 Å²	97	127.8 Å²	127.8	45%	0.453	70%	0.699	S	S	.	*			trans	-83.6	88.9	173.3	-170.3	92	12.8	0	0	108.2	S117 T131 V135	S117-Q133 PolarHBondContact OG-OE1 3Å; T131-Q133 PolarHBondContact O-N 2.82Å; Q133-V135 HydrophobicContact CG-CG2 3.58Å; Q133-V135 PolarHBondContact O-N 2.84Å; Q133-V135 VanDerWaalsContact O-N 3.11Å
134	I	46.4	Very low	43.1	Very low	101 Å²	101	124.8 Å²	124.8	52%	0.518	68%	0.68	S	S	.	*			trans	-73	100.4	161.7	-56.2	176.6	0	0	0	106.4	L132 F136	L132-I134 HydrophobicContact CD2-CD1 3.98Å; L132-I134 HydrophobicContact CD2-CG1 4.04Å; L132-I134 HydrophobicContact CG-CG1 4.3Å; L132-I134 PolarHBondContact O-N 2.89Å; I134-F136 HydrophobicContact CB-CE2 4.24Å; I134-F136 HydrophobicContact CG2-CD2 3.78Å; I134-F136 HydrophobicContact CG2-CE1 4.33Å; I134-F136 HydrophobicContact CG2-CE2 3.35Å; I134-F136 HydrophobicContact CG2-CG 4.43Å; I134-F136 HydrophobicContact CG2-CZ 3.67Å; I134-F136 PolarHBondContact O-N 2.04Å
135	V	46	Very low	44.5	Very low	100 Å²	100	121.6 Å²	121.6	61%	0.606	67%	0.669	S	S	*	*			trans	-80.8	104	170.2	-178.8	0	0	0	0	107.5	Q133 F137	Q133-V135 HydrophobicContact CG-CG2 3.58Å; Q133-V135 PolarHBondContact O-N 2.84Å; Q133-V135 VanDerWaalsContact O-N 3.11Å; V135-F137 PolarHBondContact O-N 2.74Å
136	F	51.8	Low	46.3	Very low	143 Å²	143	126.1 Å²	126.1	63%	0.627	68%	0.675	S	S	*	*			trans	-79.4	111.4	163.2	-71.9	-80	0	0	0	108.1	I134 K138 V155	I134-F136 HydrophobicContact CB-CE2 4.24Å; I134-F136 HydrophobicContact CG2-CD2 3.78Å; I134-F136 HydrophobicContact CG2-CE1 4.33Å; I134-F136 HydrophobicContact CG2-CE2 3.35Å; I134-F136 HydrophobicContact CG2-CG 4.43Å; I134-F136 HydrophobicContact CG2-CZ 3.67Å; I134-F136 PolarHBondContact O-N 2.04Å; F136-K138 PolarHBondContact O-N 2.75Å; F136-V155 HydrophobicContact CD2-CG1 4.15Å; F136-V155 HydrophobicContact CE2-CG1 3.58Å; F136-V155 HydrophobicContact CZ-CG1 4.36Å
137	F	51.5	Low	48	Very low	174 Å²	174	124.9 Å²	124.9	76%	0.763	66%	0.663	S	S	*	*			trans	-67.9	101.6	174.4	-139.8	-95.7	0	0	0	108	V135 N139	V135-F137 PolarHBondContact O-N 2.74Å; F137-N139 PolarHBondContact O-N 2.88Å; F137-N139 VanDerWaalsContact O-N 3.08Å
138	K	48.4	Very low	49.7	Very low	181 Å²	181	127.1 Å²	127.1	79%	0.787	66%	0.658	S	S	*	*			trans	-68.9	102.5	172.3	-174.1	-179.3	179.7	-178.2	0	107.8	F136	F136-K138 PolarHBondContact O-N 2.75Å
139	N	44.1	Very low	51.7	Low	127 Å²	127	126.4 Å²	126.4	68%	0.679	64%	0.639	S	S	*	*			trans	-76.6	134	164.1	-78.3	-31.3	0	0	0	109	F137 V141	F137-N139 PolarHBondContact O-N 2.88Å; F137-N139 VanDerWaalsContact O-N 3.08Å; N139-V141 PolarHBondContact O-N 3.02Å
140	N	50.8	Low	53.9	Low	138 Å²	138	126 Å²	126	74%	0.738	64%	0.64	S	S	*	*			trans	-68.3	92	174.9	-76.9	-30.9	0	0	0	109.9
141	V	51.8	Low	55.9	Low	122 Å²	122	125.6 Å²	125.6	74%	0.739	63%	0.631	S	S	*	*			trans	-123.9	85.4	154.8	-172.7	0	0	0	0	106.5	N139 N143	N139-V141 PolarHBondContact O-N 3.02Å; V141-N143 PolarHBondContact O-N 2.89Å; V141-N143 VanDerWaalsContact O-N 3.12Å
142	E	53.3	Low	58	Low	171 Å²	171	125 Å²	125	80%	0.799	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	107.3	167.4	-66.9	177.2	156	0	0	107.3
143	N	49.8	Very low	59.9	Low	160 Å²	160	125.5 Å²	125.5	86%	0.856	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	165	7.2	153.5	-80.2	-28.4	0	0	0	113.8	V141	V141-N143 PolarHBondContact O-N 2.89Å; V141-N143 VanDerWaalsContact O-N 3.12Å
144	V	55.6	Low	61.9	Low	70 Å²	70	125.7 Å²	125.7	42%	0.424	63%	0.629	S	S	.	*			trans	-116.9	66.6	166.1	-170	0	0	0	0	109.1	E147 Q148	V144-E147 HydrophobicContact CG1-CB 3.92Å; V144-E147 HydrophobicContact CG1-CG 4.45Å; V144-Q148 HydrophobicContact CB-CG 4.2Å; V144-Q148 HydrophobicContact CG1-CG 4.29Å; V144-Q148 VanDerWaalsContact O-CB 3.25Å; V144-Q148 WeakPolarHBondContact O-CB 3.45Å; V144-Q148 WeakPolarHBondContact O-CG 3.35Å
145	L	60.5	Low	63.9	Low	133 Å²	133	122.9 Å²	122.9	70%	0.696	62%	0.616	S	S	*	*	H	α-helix	trans	-81.2	-27.5	-166.2	-167	64.6	0	0	0	114	N149	L145-N149 PolarHBondContact O-ND2 3.17Å
146	E	64.1	Low	65.6	Low	154 Å²	154	122.4 Å²	122.4	72%	0.72	61%	0.61	S	S	*	*	H	α-helix	trans	-87.1	-41.7	-178.7	-70.5	-173.5	177.4	0	0	113.6	K150	E146-K150 WeakPolarHBondContact O-CG 3.32Å; E146-K150 PolarHBondContact O-N 3.43Å
147	E	66.1	Low	67.2	Low	144 Å²	144	121.4 Å²	121.4	67%	0.673	61%	0.608	S	S	*	*	H	α-helix	trans	-70.8	-34.3	178.2	-65.5	-174.3	150.1	0	0	112.2	V144 L151	V144-E147 HydrophobicContact CG1-CB 3.92Å; V144-E147 HydrophobicContact CG1-CG 4.45Å; E147-L151 PolarHBondContact O-N 3.2Å
148	Q	66.2	Low	68.9	Low	105 Å²	105	118.9 Å²	118.9	49%	0.491	60%	0.601	S	S	.	*	H	α-helix	trans	-70.8	-35.1	179.4	-65.5	-68.8	-51.6	0	0	112.3	V144 L151 T152	V144-Q148 HydrophobicContact CB-CG 4.2Å; V144-Q148 HydrophobicContact CG1-CG 4.29Å; V144-Q148 VanDerWaalsContact O-CB 3.25Å; V144-Q148 WeakPolarHBondContact O-CB 3.45Å; V144-Q148 WeakPolarHBondContact O-CG 3.35Å; Q148-L151 PolarHBondContact O-N 2.86Å; Q148-T152 WeakPolarHBondContact O-CB 3.24Å; Q148-T152 PolarHBondContact O-N 3.5Å; Q148-T152 PolarHBondContact O-OG1 2.98Å
149	N	76	Confident	70.5	Confident	97 Å²	97	113.2 Å²	113.2	52%	0.519	58%	0.577	S	S	.	*	H	α-helix	trans	-67.6	-44.8	175.8	-74.5	-14.1	0	0	0	111.3	L145 L151 T152 E153	L145-N149 PolarHBondContact O-ND2 3.17Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 2.89Å; N149-T152 PolarHBondContact O-N 2.95Å; N149-E153 PolarHBondContact O-N 3.08Å
150	K	83.5	Confident	72.2	Confident	133 Å²	133	110.8 Å²	110.8	58%	0.578	57%	0.57	S	S	*	*	H	α-helix	trans	-59.2	-42.7	174.7	-73.2	178.3	-180	173.5	0	112.1	E146 E153 M154	E146-K150 WeakPolarHBondContact O-CG 3.32Å; E146-K150 PolarHBondContact O-N 3.43Å; K150-E153 PolarHBondContact O-N 3.35Å; K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 3.36Å
151	L	82.8	Confident	73.9	Confident	88 Å²	88	105.9 Å²	105.9	46%	0.461	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-43.6	176.3	-176.6	61.8	0	0	0	111.6	E147 Q148 N149 E153 M154 V155	E147-L151 PolarHBondContact O-N 3.2Å; Q148-L151 PolarHBondContact O-N 2.86Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 2.89Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.02Å; L151-M154 HydrophobicContact CD1-CE 4.14Å; L151-M154 PolarHBondContact O-N 2.99Å; L151-V155 HydrophobicContact CD1-CG2 4.44Å; L151-V155 WeakPolarHBondContact O-CB 3.08Å; L151-V155 WeakPolarHBondContact O-CG2 3.47Å; L151-V155 PolarHBondContact O-N 3.01Å
152	T	81	Confident	75.4	Confident	77 Å²	77	105.2 Å²	105.2	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-54.9	0	0	0	0	111.7	Q148 N149 V155 N156	Q148-T152 WeakPolarHBondContact O-CB 3.24Å; Q148-T152 PolarHBondContact O-N 3.5Å; Q148-T152 PolarHBondContact O-OG1 2.98Å; N149-T152 PolarHBondContact O-N 2.95Å; T152-V155 PolarHBondContact O-N 2.89Å; T152-N156 WeakPolarHBondContact O-CB 3.42Å; T152-N156 VanDerWaalsContact O-CG 3.31Å; T152-N156 PolarHBondContact O-N 2.79Å; T152-N156 PolarHBondContact O-ND2 2.84Å
153	E	84.2	Confident	76.9	Confident	121 Å²	121	101.6 Å²	101.6	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-52.3	175	-174.1	172.6	-161.6	0	0	111.7	N149 K150 L151 V155 N156 E157	N149-E153 PolarHBondContact O-N 3.08Å; K150-E153 PolarHBondContact O-N 3.35Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.02Å; E153-V155 VanDerWaalsContact C-N 3.26Å; E153-V155 PolarHBondContact O-N 2.77Å; E153-N156 PolarHBondContact O-N 2.87Å; E153-E157 PolarHBondContact O-N 2.82Å
154	M	86.6	Confident	78.5	Confident	101 Å²	101	97.4 Å²	97.4	50%	0.498	51%	0.512	S	S	.	.	H	α-helix	trans	-57	-40	175.9	-70	-173.7	-66.1	0	0	112	K150 L151 E157 L158	K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 3.36Å; L151-M154 HydrophobicContact CD1-CE 4.14Å; L151-M154 PolarHBondContact O-N 2.99Å; M154-E157 PolarHBondContact O-N 2.88Å; M154-L158 WeakPolarHBondContact O-CB 3.07Å; M154-L158 WeakPolarHBondContact O-CG 3.23Å; M154-L158 PolarHBondContact O-N 2.96Å
155	V	87.2	Confident	80.1	Confident	42 Å²	42	97.9 Å²	97.9	26%	0.255	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-40.4	175.9	167.7	0	0	0	0	111.5	F136 L151 T152 E153 K159	F136-V155 HydrophobicContact CD2-CG1 4.15Å; F136-V155 HydrophobicContact CE2-CG1 3.58Å; F136-V155 HydrophobicContact CZ-CG1 4.36Å; L151-V155 HydrophobicContact CD1-CG2 4.44Å; L151-V155 WeakPolarHBondContact O-CB 3.08Å; L151-V155 WeakPolarHBondContact O-CG2 3.47Å; L151-V155 PolarHBondContact O-N 3.01Å; T152-V155 PolarHBondContact O-N 2.89Å; E153-V155 VanDerWaalsContact C-N 3.26Å; E153-V155 PolarHBondContact O-N 2.77Å; V155-K159 VanDerWaalsContact O-CB 3.26Å; V155-K159 WeakPolarHBondContact O-CB 3.22Å; V155-K159 PolarHBondContact O-N 3.43Å
156	N	82.3	Confident	81.2	Confident	89 Å²	89	94.8 Å²	94.8	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177.7	-76.2	-32.8	0	0	0	112.5	T152 E153 K159 S160	T152-N156 WeakPolarHBondContact O-CB 3.42Å; T152-N156 VanDerWaalsContact O-CG 3.31Å; T152-N156 PolarHBondContact O-N 2.79Å; T152-N156 PolarHBondContact O-ND2 2.84Å; E153-N156 PolarHBondContact O-N 2.87Å; N156-K159 PolarHBondContact O-N 3.48Å; N156-S160 PolarHBondContact O-N 3.4Å; N156-S160 PolarHBondContact O-OG 2.64Å
157	E	84.6	Confident	82.1	Confident	123 Å²	123	90.5 Å²	90.5	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-61	-49.9	173	-71.7	-171.9	157.7	0	0	110.8	E153 M154 K159 S160 G161	E153-E157 PolarHBondContact O-N 2.82Å; M154-E157 PolarHBondContact O-N 2.88Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 2.8Å; E157-S160 PolarHBondContact O-N 3.3Å; E157-S160 PolarHBondContact O-OG 3.03Å; E157-G161 PolarHBondContact O-N 3.45Å
158	L	88	Confident	82.9	Confident	120 Å²	120	88.5 Å²	88.5	63%	0.628	47%	0.466	S	S	*	.	H	α-helix	trans	-59.9	-42	175.7	-69.4	171.7	0	0	0	111.9	M154 S160 G161 L162	M154-L158 WeakPolarHBondContact O-CB 3.07Å; M154-L158 WeakPolarHBondContact O-CG 3.23Å; M154-L158 PolarHBondContact O-N 2.96Å; L158-S160 PolarHBondContact O-N 2.81Å; L158-G161 PolarHBondContact O-N 2.84Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 2.75Å
159	K	82.7	Confident	83.9	Confident	63 Å²	63	89 Å²	89	27%	0.274	47%	0.468	S	S	.	.	H	α-helix	trans	-59.6	-47	176.3	179.5	-176.7	175	-172.1	0	111.4	V155 N156 E157 L162 I163	V155-K159 VanDerWaalsContact O-CB 3.26Å; V155-K159 WeakPolarHBondContact O-CB 3.22Å; V155-K159 PolarHBondContact O-N 3.43Å; N156-K159 PolarHBondContact O-N 3.48Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 2.8Å; K159-L162 PolarHBondContact O-N 2.9Å; K159-I163 HydrophobicContact CG-CD1 3.93Å; K159-I163 VanDerWaalsContact O-CG1 3.29Å; K159-I163 WeakPolarHBondContact O-CG1 3.22Å; K159-I163 PolarHBondContact O-N 3.32Å
160	S	79.8	Confident	84	Confident	75 Å²	75	88.5 Å²	88.5	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-66	-40.1	179.4	67.9	0	0	0	0	112	N156 E157 L158 I163 S164	N156-S160 PolarHBondContact O-N 3.4Å; N156-S160 PolarHBondContact O-OG 2.64Å; E157-S160 PolarHBondContact O-N 3.3Å; E157-S160 PolarHBondContact O-OG 3.03Å; L158-S160 PolarHBondContact O-N 2.81Å; S160-I163 PolarHBondContact O-N 2.94Å; S160-S164 PolarHBondContact O-N 3.46Å
161	G	85.6	Confident	83.7	Confident	35 Å²	35	87.4 Å²	87.4	36%	0.361	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-45.7	172.5	0	0	0	0	0	112.8	E157 L158 S164 V165	E157-G161 PolarHBondContact O-N 3.45Å; L158-G161 PolarHBondContact O-N 2.84Å; G161-S164 WeakPolarHBondContact O-CB 3.07Å; G161-S164 PolarHBondContact O-N 2.87Å; G161-V165 WeakPolarHBondContact O-CG2 3.43Å; G161-V165 PolarHBondContact O-N 2.72Å
162	L	84.4	Confident	83.8	Confident	109 Å²	109	87.9 Å²	87.9	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-64	-41.6	178.1	-74.7	174.6	0	0	0	112.6	L158 K159 S164 V165 K166	L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 2.75Å; K159-L162 PolarHBondContact O-N 2.9Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-V165 PolarHBondContact O-N 3Å; L162-K166 VanDerWaalsContact O-CB 3.31Å; L162-K166 WeakPolarHBondContact O-CB 3.23Å; L162-K166 PolarHBondContact O-N 3.41Å
163	I	84	Confident	84	Confident	94 Å²	94	89 Å²	89	48%	0.482	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-42	176.2	-68.7	166.2	0	0	0	110.4	K159 S160 K166 H167	K159-I163 HydrophobicContact CG-CD1 3.93Å; K159-I163 VanDerWaalsContact O-CG1 3.29Å; K159-I163 WeakPolarHBondContact O-CG1 3.22Å; K159-I163 PolarHBondContact O-N 3.32Å; S160-I163 PolarHBondContact O-N 2.94Å; I163-K166 PolarHBondContact O-N 2.59Å; I163-H167 PolarHBondContact O-N 3.16Å
164	S	83	Confident	83.7	Confident	73 Å²	73	88 Å²	88	51%	0.51	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-47.2	176.7	-169	0	0	0	0	111.7	S160 G161 L162 H167 E168	S160-S164 PolarHBondContact O-N 3.46Å; G161-S164 WeakPolarHBondContact O-CB 3.07Å; G161-S164 PolarHBondContact O-N 2.87Å; L162-S164 VanDerWaalsContact C-N 3.33Å; S164-H167 PolarHBondContact O-N 2.83Å; S164-E168 PolarHBondContact O-N 3.05Å; S164-E168 VanDerWaalsContact O-N 3.16Å
165	V	88.4	Confident	83.5	Confident	79 Å²	79	88.9 Å²	88.9	48%	0.479	45%	0.452	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178.4	173	0	0	0	0	111.3	G161 L162 H167 E168 Q169	G161-V165 WeakPolarHBondContact O-CG2 3.43Å; G161-V165 PolarHBondContact O-N 2.72Å; L162-V165 PolarHBondContact O-N 3Å; V165-H167 VanDerWaalsContact C-N 3.35Å; V165-H167 PolarHBondContact O-N 3.48Å; V165-E168 PolarHBondContact O-N 3.47Å; V165-Q169 HydrophobicContact CG1-CG 4.38Å; V165-Q169 WeakPolarHBondContact O-CG 3.21Å; V165-Q169 PolarHBondContact O-N 3.02Å
166	K	85.4	Confident	83.3	Confident	68 Å²	68	92.2 Å²	92.2	30%	0.296	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-44.4	176.4	179.7	175.5	176.4	173.6	0	111.6	C130 L162 I163 E168 Q169 E170	C130-K166 PolarHBondContact O-NZ 3.35Å; L162-K166 VanDerWaalsContact O-CB 3.31Å; L162-K166 WeakPolarHBondContact O-CB 3.23Å; L162-K166 PolarHBondContact O-N 3.41Å; I163-K166 PolarHBondContact O-N 2.59Å; K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.31Å; K166-Q169 WeakPolarHBondContact O-CB 3.47Å; K166-Q169 PolarHBondContact O-N 3.06Å; K166-E170 WeakPolarHBondContact CE-OE1 3.38Å; K166-E170 WeakPolarHBondContact O-CG 3.09Å; K166-E170 PolarHBondContact O-N 2.85Å
167	H	82.5	Confident	83.3	Confident	64 Å²	64	95.9 Å²	95.9	30%	0.296	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-41.3	178.9	-169.5	57.1	0	0	0	112.1	I163 S164 V165 E170 Y171	I163-H167 PolarHBondContact O-N 3.16Å; S164-H167 PolarHBondContact O-N 2.83Å; V165-H167 VanDerWaalsContact C-N 3.35Å; V165-H167 PolarHBondContact O-N 3.48Å; H167-E170 PolarHBondContact O-N 3.5Å; H167-Y171 PolarHBondContact O-N 3.41Å
168	E	82.1	Confident	83.2	Confident	102 Å²	102	94.5 Å²	94.5	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-64.2	-40.2	173.8	-71.4	-64.5	148.5	0	0	111.8	S164 V165 K166 Y171 M172	S164-E168 PolarHBondContact O-N 3.05Å; S164-E168 VanDerWaalsContact O-N 3.16Å; V165-E168 PolarHBondContact O-N 3.47Å; K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.31Å; E168-Y171 PolarHBondContact O-N 2.79Å; E168-M172 VanDerWaalsContact O-CG 3.24Å; E168-M172 WeakPolarHBondContact O-CG 3.07Å; E168-M172 PolarHBondContact O-N 2.62Å
169	Q	87.1	Confident	82.8	Confident	115 Å²	115	92.7 Å²	92.7	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-46.4	175.1	-76.3	176.9	-17.2	0	0	112.2	V165 K166 Y171 M172 E173	V165-Q169 HydrophobicContact CG1-CG 4.38Å; V165-Q169 WeakPolarHBondContact O-CG 3.21Å; V165-Q169 PolarHBondContact O-N 3.02Å; K166-Q169 WeakPolarHBondContact O-CB 3.47Å; K166-Q169 PolarHBondContact O-N 3.06Å; Q169-Y171 VanDerWaalsContact C-N 3.28Å; Q169-Y171 PolarHBondContact O-N 3.06Å; Q169-M172 CarbonylContact O-C 3.57Å; Q169-M172 PolarHBondContact O-N 3.39Å; Q169-M172 VanDerWaalsContact O-N 3.09Å; Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 3.31Å
170	E	78	Confident	83	Confident	88 Å²	88	97.4 Å²	97.4	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-58.1	-42.6	176.4	-74	171.7	179.9	0	0	111.2	K166 H167 E173 I174	K166-E170 WeakPolarHBondContact CE-OE1 3.38Å; K166-E170 WeakPolarHBondContact O-CG 3.09Å; K166-E170 PolarHBondContact O-N 2.85Å; H167-E170 PolarHBondContact O-N 3.5Å; E170-E173 PolarHBondContact O-N 2.92Å; E170-I174 WeakPolarHBondContact O-CG1 3.09Å; E170-I174 PolarHBondContact O-N 3.26Å
171	Y	78.4	Confident	83.1	Confident	109 Å²	109	96.5 Å²	96.5	43%	0.427	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-45.9	173.1	174.9	-99	0	0	0	112.1	H167 E168 Q169 E173 I174 R175	H167-Y171 PolarHBondContact O-N 3.41Å; E168-Y171 PolarHBondContact O-N 2.79Å; Q169-Y171 VanDerWaalsContact C-N 3.28Å; Q169-Y171 PolarHBondContact O-N 3.06Å; Y171-E173 PolarHBondContact O-N 2.9Å; Y171-I174 PolarHBondContact O-N 3.11Å; Y171-R175 WeakPolarHBondContact O-CB 3.09Å; Y171-R175 PolarHBondContact O-N 3.41Å
172	M	84.2	Confident	82.9	Confident	99 Å²	99	98.4 Å²	98.4	49%	0.488	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-37.3	178.3	-68.3	-62.9	177.7	0	0	112.4	E168 Q169 Q176	E168-M172 VanDerWaalsContact O-CG 3.24Å; E168-M172 WeakPolarHBondContact O-CG 3.07Å; E168-M172 PolarHBondContact O-N 2.62Å; Q169-M172 CarbonylContact O-C 3.57Å; Q169-M172 PolarHBondContact O-N 3.39Å; Q169-M172 VanDerWaalsContact O-N 3.09Å; M172-Q176 VanDerWaalsContact O-CB 3.22Å; M172-Q176 WeakPolarHBondContact O-CB 3.47Å; M172-Q176 PolarHBondContact O-N 3.04Å
173	E	86.3	Confident	83	Confident	100 Å²	100	98.2 Å²	98.2	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-47.4	175.8	-76.7	-170.9	-165.8	0	0	111.9	Q169 E170 Y171 R175 Q176 R177	Q169-E173 WeakPolarHBondContact O-CG 3.22Å; Q169-E173 PolarHBondContact O-N 3.31Å; E170-E173 PolarHBondContact O-N 2.92Å; Y171-E173 PolarHBondContact O-N 2.9Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-Q176 PolarHBondContact O-N 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.28Å; E173-R177 PolarHBondContact O-N 3.07Å; E173-R177 IonicContact OE2-NH2 3.3Å; E173-R177 PolarHBondContact OE2-NH2 3.37Å
174	I	76.8	Confident	83.1	Confident	100 Å²	100	100.3 Å²	100.3	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-47.7	177.4	-67.2	165.5	0	0	0	109.6	E170 Y171 Q176 R177 I178	E170-I174 WeakPolarHBondContact O-CG1 3.09Å; E170-I174 PolarHBondContact O-N 3.26Å; Y171-I174 PolarHBondContact O-N 3.11Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.25Å; I174-R177 PolarHBondContact O-N 3.38Å; I174-R177 VanDerWaalsContact O-N 3.17Å; I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 WeakPolarHBondContact O-CG1 3.34Å; I174-I178 PolarHBondContact O-N 3.49Å
175	R	83.7	Confident	83.1	Confident	119 Å²	119	98.2 Å²	98.2	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-56.4	-44.3	175.5	179.3	174.4	178.7	156.6	4.9	111.2	Y171 E173 I178 H179	Y171-R175 WeakPolarHBondContact O-CB 3.09Å; Y171-R175 PolarHBondContact O-N 3.41Å; E173-R175 VanDerWaalsContact C-N 3.35Å; R175-I178 PolarHBondContact O-N 3.36Å; R175-H179 WeakPolarHBondContact CG-CD2 3.41Å; R175-H179 WeakPolarHBondContact CG-NE2 3.27Å; R175-H179 PolarHBondContact NE-NE2 2.91Å; R175-H179 WeakPolarHBondContact O-CB 3.45Å; R175-H179 PolarHBondContact O-CD2 2.93Å; R175-H179 PolarHBondContact O-N 3.37Å
176	Q	83	Confident	82.8	Confident	112 Å²	112	97.6 Å²	97.6	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177.5	-179.3	177.5	-18.4	0	0	112.3	M172 E173 I174 R180	M172-Q176 VanDerWaalsContact O-CB 3.22Å; M172-Q176 WeakPolarHBondContact O-CB 3.47Å; M172-Q176 PolarHBondContact O-N 3.04Å; E173-Q176 PolarHBondContact O-N 3.25Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.25Å; Q176-R180 WeakPolarHBondContact O-CB 3.35Å; Q176-R180 PolarHBondContact O-N 3.49Å
177	R	82.4	Confident	82.9	Confident	166 Å²	166	99.3 Å²	99.3	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-63	-45.7	176.1	-70	176.6	-157.8	-176.5	9.2	111.2	E173 I174 R180 A181	E173-R177 WeakPolarHBondContact O-CG 3.28Å; E173-R177 PolarHBondContact O-N 3.07Å; E173-R177 IonicContact OE2-NH2 3.3Å; E173-R177 PolarHBondContact OE2-NH2 3.37Å; I174-R177 PolarHBondContact O-N 3.38Å; I174-R177 VanDerWaalsContact O-N 3.17Å; R177-R180 PolarHBondContact O-N 2.96Å; R177-A181 WeakPolarHBondContact O-CB 3.29Å; R177-A181 PolarHBondContact O-N 3.22Å
178	I	81	Confident	83.1	Confident	94 Å²	94	99.7 Å²	99.7	48%	0.482	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-51	177.2	-65.2	168.1	0	0	0	110.4	I174 R175 R180 A181 I182	I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 WeakPolarHBondContact O-CG1 3.34Å; I174-I178 PolarHBondContact O-N 3.49Å; R175-I178 PolarHBondContact O-N 3.36Å; I178-R180 VanDerWaalsContact C-N 3.3Å; I178-R180 PolarHBondContact O-N 3.35Å; I178-A181 PolarHBondContact O-N 2.97Å; I178-A181 VanDerWaalsContact O-N 3.17Å; I178-I182 HydrophobicContact CG2-CD1 3.76Å; I178-I182 HydrophobicContact CG2-CG1 4.49Å; I178-I182 WeakPolarHBondContact O-CG1 3.35Å; I178-I182 PolarHBondContact O-N 3.1Å
179	H	81	Confident	83.3	Confident	82 Å²	82	96.8 Å²	96.8	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-38.9	178.6	-73	-46.2	0	0	0	112.3	R175 I182 N183	R175-H179 WeakPolarHBondContact CG-CD2 3.41Å; R175-H179 WeakPolarHBondContact CG-NE2 3.27Å; R175-H179 PolarHBondContact NE-NE2 2.91Å; R175-H179 WeakPolarHBondContact O-CB 3.45Å; R175-H179 PolarHBondContact O-CD2 2.93Å; R175-H179 PolarHBondContact O-N 3.37Å; H179-I182 PolarHBondContact O-N 3.38Å; H179-N183 VanDerWaalsContact O-CB 3.22Å; H179-N183 WeakPolarHBondContact O-CB 3.45Å; H179-N183 PolarHBondContact O-N 3.45Å; H179-N183 PolarHBondContact O-ND2 2.74Å
180	R	85.8	Confident	83.4	Confident	162 Å²	162	95.5 Å²	95.5	61%	0.611	47%	0.466	S	S	*	.	H	α-helix	trans	-62.6	-45	175.5	-177.7	174.2	-71.4	-147.3	-1.5	111.3	Q176 R177 I178 N183 E184	Q176-R180 WeakPolarHBondContact O-CB 3.35Å; Q176-R180 PolarHBondContact O-N 3.49Å; R177-R180 PolarHBondContact O-N 2.96Å; I178-R180 VanDerWaalsContact C-N 3.3Å; I178-R180 PolarHBondContact O-N 3.35Å; R180-N183 PolarHBondContact O-N 3.32Å; R180-E184 VanDerWaalsContact O-CB 3.32Å; R180-E184 WeakPolarHBondContact O-CB 3.4Å; R180-E184 PolarHBondContact O-N 2.91Å
181	A	82.5	Confident	84	Confident	56 Å²	56	94.4 Å²	94.4	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-41.6	179	0	0	0	0	0	112.7	R177 I178 S185	R177-A181 WeakPolarHBondContact O-CB 3.29Å; R177-A181 PolarHBondContact O-N 3.22Å; I178-A181 PolarHBondContact O-N 2.97Å; I178-A181 VanDerWaalsContact O-N 3.17Å; A181-S185 WeakPolarHBondContact O-CB 3.09Å; A181-S185 PolarHBondContact O-N 3.05Å; A181-S185 VanDerWaalsContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.29Å
182	I	80.7	Confident	84.4	Confident	75 Å²	75	95 Å²	95	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-43.9	175.6	-65.8	168.9	0	0	0	110.2	I178 H179 S185 T186	I178-I182 HydrophobicContact CG2-CD1 3.76Å; I178-I182 HydrophobicContact CG2-CG1 4.49Å; I178-I182 WeakPolarHBondContact O-CG1 3.35Å; I178-I182 PolarHBondContact O-N 3.1Å; H179-I182 PolarHBondContact O-N 3.38Å; I182-S185 PolarHBondContact O-OG 2.99Å; I182-T186 VanDerWaalsContact O-CB 3.22Å; I182-T186 WeakPolarHBondContact O-CB 3.22Å; I182-T186 PolarHBondContact O-N 3.29Å; I182-T186 PolarHBondContact O-OG1 3.44Å
183	N	85.8	Confident	84.6	Confident	106 Å²	106	95.6 Å²	95.6	57%	0.567	47%	0.47	S	S	*	.	H	α-helix	trans	-66.9	-41.9	179.7	-74.5	-10.1	0	0	0	112.2	H179 R180 T186 N187	H179-N183 VanDerWaalsContact O-CB 3.22Å; H179-N183 WeakPolarHBondContact O-CB 3.45Å; H179-N183 PolarHBondContact O-N 3.45Å; H179-N183 PolarHBondContact O-ND2 2.74Å; R180-N183 PolarHBondContact O-N 3.32Å; N183-T186 PolarHBondContact O-N 2.86Å; N183-N187 WeakPolarHBondContact O-CB 3.29Å; N183-N187 PolarHBondContact O-N 2.85Å
184	E	86.6	Confident	84.8	Confident	137 Å²	137	93.2 Å²	93.2	64%	0.64	47%	0.468	S	S	*	.	H	α-helix	trans	-64.8	-45.8	178.8	-175.5	171.6	-174.6	0	0	111.8	R180 S188	R180-E184 VanDerWaalsContact O-CB 3.32Å; R180-E184 WeakPolarHBondContact O-CB 3.4Å; R180-E184 PolarHBondContact O-N 2.91Å; E184-S188 WeakPolarHBondContact O-CB 3.06Å; E184-S188 PolarHBondContact O-N 3.34Å
185	S	82.7	Confident	85.6	Confident	30 Å²	30	93.1 Å²	93.1	21%	0.21	47%	0.468	C	S	.	.	H	α-helix	trans	-65.7	-40.7	176.1	56.5	0	0	0	0	112.5	A181 I182 R189	A181-S185 WeakPolarHBondContact O-CB 3.09Å; A181-S185 PolarHBondContact O-N 3.05Å; A181-S185 VanDerWaalsContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.29Å; I182-S185 PolarHBondContact O-OG 2.99Å; S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 VanDerWaalsContact O-CG 3.23Å; S185-R189 WeakPolarHBondContact O-CG 3.38Å; S185-R189 PolarHBondContact O-N 3.43Å
186	T	83.4	Confident	86	Confident	66 Å²	66	91.8 Å²	91.8	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-65.7	-48.1	175.6	-57.7	0	0	0	0	111.3	I182 N183 S188 R189 V190	I182-T186 VanDerWaalsContact O-CB 3.22Å; I182-T186 WeakPolarHBondContact O-CB 3.22Å; I182-T186 PolarHBondContact O-N 3.29Å; I182-T186 PolarHBondContact O-OG1 3.44Å; N183-T186 PolarHBondContact O-N 2.86Å; T186-S188 PolarHBondContact O-N 3.34Å; T186-R189 PolarHBondContact O-N 3.27Å; T186-V190 HydrophobicContact CG2-CG2 4.21Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.02Å; T186-V190 PolarHBondContact O-N 3.4Å
187	N	87.6	Confident	86.3	Confident	104 Å²	104	92.2 Å²	92.2	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-60.3	-46.7	-178.5	180	52.4	0	0	0	111.8	N183 R189 V190 V191	N183-N187 WeakPolarHBondContact O-CB 3.29Å; N183-N187 PolarHBondContact O-N 2.85Å; N187-R189 VanDerWaalsContact C-N 3.33Å; N187-R189 PolarHBondContact O-N 3.48Å; N187-V190 PolarHBondContact O-N 3.29Å; N187-V191 WeakPolarHBondContact O-CB 3.41Å; N187-V191 VanDerWaalsContact O-CG2 3.29Å; N187-V191 WeakPolarHBondContact O-CG2 3.45Å; N187-V191 PolarHBondContact O-N 2.93Å
188	S	86.1	Confident	86.9	Confident	72 Å²	72	86.5 Å²	86.5	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-59.3	-44.1	178.8	-179.5	0	0	0	0	112.1	E184 T186 V191 M192	E184-S188 WeakPolarHBondContact O-CB 3.06Å; E184-S188 PolarHBondContact O-N 3.34Å; T186-S188 PolarHBondContact O-N 3.34Å; S188-V191 PolarHBondContact O-N 3.49Å; S188-M192 WeakPolarHBondContact O-CG 3.4Å; S188-M192 PolarHBondContact O-N 3.09Å
189	R	85.9	Confident	87.6	Confident	41 Å²	41	85.8 Å²	85.8	16%	0.155	46%	0.456	C	S	.	.	H	α-helix	trans	-63.3	-48.3	177.5	-68.7	170.5	-169.7	162.6	6.3	111.6	S15 L16 S185 T186 N187 V191 M192 W193	S15-R189 PolarHBondContact O-NE 3.06Å; S15-R189 PolarHBondContact O-NH2 3.11Å; S15-R189 PolarHBondContact OG-NE 3.19Å; L16-R189 VanDerWaalsContact C-NH2 3.28Å; L16-R189 PolarHBondContact O-NH1 3.36Å; L16-R189 PolarHBondContact O-NH2 2.98Å; S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 VanDerWaalsContact O-CG 3.23Å; S185-R189 WeakPolarHBondContact O-CG 3.38Å; S185-R189 PolarHBondContact O-N 3.43Å; T186-R189 PolarHBondContact O-N 3.27Å; N187-R189 VanDerWaalsContact C-N 3.33Å; N187-R189 PolarHBondContact O-N 3.48Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.11Å; R189-M192 PolarHBondContact O-N 3.39Å; R189-W193 PolarHBondContact O-N 3.42Å
190	V	89	Confident	88.3	Confident	88 Å²	88	85 Å²	85	53%	0.533	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-42.2	-179.4	173	0	0	0	0	111.2	T186 N187 W193 A194	T186-V190 HydrophobicContact CG2-CG2 4.21Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.02Å; T186-V190 PolarHBondContact O-N 3.4Å; N187-V190 PolarHBondContact O-N 3.29Å; V190-W193 PolarHBondContact O-N 2.96Å; V190-A194 WeakPolarHBondContact O-CB 3.35Å; V190-A194 PolarHBondContact O-N 3.39Å
191	V	91	Very high	88.7	Confident	65 Å²	65	81.9 Å²	81.9	39%	0.394	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-46	178.7	169.7	0	0	0	0	111.4	N187 S188 R189 W193 A194 I195	N187-V191 WeakPolarHBondContact O-CB 3.41Å; N187-V191 VanDerWaalsContact O-CG2 3.29Å; N187-V191 WeakPolarHBondContact O-CG2 3.45Å; N187-V191 PolarHBondContact O-N 2.93Å; S188-V191 PolarHBondContact O-N 3.49Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.11Å; V191-W193 VanDerWaalsContact C-N 3.28Å; V191-W193 PolarHBondContact O-N 3.3Å; V191-A194 PolarHBondContact O-N 3.34Å; V191-I195 HydrophobicContact CG1-CD1 3.85Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 WeakPolarHBondContact O-CG1 3.38Å; V191-I195 PolarHBondContact O-N 3.32Å
192	M	86.5	Confident	89.3	Confident	122 Å²	122	84.6 Å²	84.6	60%	0.601	46%	0.457	S	S	*	.	H	α-helix	trans	-59.5	-40.7	176.8	-75.8	-65	-66.2	0	0	111.9	S188 R189 F196	S188-M192 WeakPolarHBondContact O-CG 3.4Å; S188-M192 PolarHBondContact O-N 3.09Å; R189-M192 PolarHBondContact O-N 3.39Å; M192-F196 PolarHBondContact O-N 3.1Å; M192-F196 VanDerWaalsContact O-N 3.1Å
193	W	88	Confident	90	Very high	110 Å²	110	85 Å²	85	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-42.5	174.8	-83.7	122.6	0	0	0	113.4	N12 R189 V190 V191 F196 E197	N12-W193 HydrophobicContact CB-CD2 4.46Å; N12-W193 HydrophobicContact CB-CH2 3.25Å; N12-W193 HydrophobicContact CB-CZ2 2.94Å; N12-W193 HydrophobicContact CB-CZ3 4.12Å; N12-W193 VanDerWaalsContact CG-CZ3 3.48Å; N12-W193 VanDerWaalsContact ND2-CH2 3.3Å; N12-W193 WeakPolarHBondContact ND2-CH2 3.47Å; N12-W193 VanDerWaalsContact ND2-CZ3 3.34Å; N12-W193 WeakPolarHBondContact ND2-CZ3 3.34Å; N12-W193 VanDerWaalsContact OD1-CD2 3.27Å; N12-W193 WeakPolarHBondContact OD1-CZ2 3.49Å; N12-W193 PolarHBondContact OD1-NE1 3.35Å; R189-W193 PolarHBondContact O-N 3.42Å; V190-W193 PolarHBondContact O-N 2.96Å; V191-W193 VanDerWaalsContact C-N 3.28Å; V191-W193 PolarHBondContact O-N 3.3Å; W193-F196 HydrophobicContact CE3-CD1 4.2Å; W193-F196 HydrophobicContact CZ3-CD1 4.23Å; W193-F196 WeakPolarHBondContact O-CB 3.3Å; W193-F196 PolarHBondContact O-N 3.18Å; W193-E197 PolarHBondContact O-N 3.38Å
194	A	91.3	Very high	90.5	Very high	51 Å²	51	85.3 Å²	85.3	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-39.2	178	0	0	0	0	0	112.3	V190 V191 F196 E197 A198	V190-A194 WeakPolarHBondContact O-CB 3.35Å; V190-A194 PolarHBondContact O-N 3.39Å; V191-A194 PolarHBondContact O-N 3.34Å; A194-F196 VanDerWaalsContact C-N 3.34Å; A194-E197 PolarHBondContact O-N 3.5Å; A194-A198 WeakPolarHBondContact O-CB 3.32Å; A194-A198 PolarHBondContact O-N 3.03Å
195	I	93.5	Very high	90.9	Very high	97 Å²	97	82.1 Å²	82.1	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-44	174.4	-68.1	167.5	0	0	0	110.2	V191 A198 V199	V191-I195 HydrophobicContact CG1-CD1 3.85Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 WeakPolarHBondContact O-CG1 3.38Å; V191-I195 PolarHBondContact O-N 3.32Å; I195-A198 PolarHBondContact O-N 3.46Å; I195-V199 WeakPolarHBondContact O-CG2 3.3Å; I195-V199 PolarHBondContact O-N 3.03Å; I195-V199 VanDerWaalsContact O-N 3.11Å
196	F	91.3	Very high	91.5	Very high	91 Å²	91	83.2 Å²	83.2	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-46.7	176.8	174.9	-100	0	0	0	111.8	V8 M192 W193 A194 A198 V199 V200	V8-F196 HydrophobicContact CG1-CD2 4.4Å; V8-F196 HydrophobicContact CG1-CE1 4.15Å; V8-F196 HydrophobicContact CG1-CE2 3.77Å; V8-F196 HydrophobicContact CG1-CZ 3.63Å; V8-F196 HydrophobicContact CG2-CE2 4.49Å; M192-F196 PolarHBondContact O-N 3.1Å; M192-F196 VanDerWaalsContact O-N 3.1Å; W193-F196 HydrophobicContact CE3-CD1 4.2Å; W193-F196 HydrophobicContact CZ3-CD1 4.23Å; W193-F196 WeakPolarHBondContact O-CB 3.3Å; W193-F196 PolarHBondContact O-N 3.18Å; A194-F196 VanDerWaalsContact C-N 3.34Å; F196-A198 PolarHBondContact O-N 3.49Å; F196-V199 PolarHBondContact O-N 3.33Å; F196-V200 HydrophobicContact CE1-CG2 4.03Å; F196-V200 HydrophobicContact CE2-CG2 4.19Å; F196-V200 HydrophobicContact CZ-CG2 3.84Å; F196-V200 WeakPolarHBondContact O-CG2 3.48Å; F196-V200 PolarHBondContact O-N 3.19Å; F196-V200 VanDerWaalsContact O-N 3.14Å
197	E	91.2	Very high	92	Very high	122 Å²	122	81.9 Å²	81.9	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-58.9	-45.6	176.7	-171.3	-174.6	173.6	0	0	112	W193 A194 V199 V200 L201	W193-E197 PolarHBondContact O-N 3.38Å; A194-E197 PolarHBondContact O-N 3.5Å; E197-V199 VanDerWaalsContact C-N 3.34Å; E197-V199 PolarHBondContact O-N 3.1Å; E197-V200 PolarHBondContact O-N 2.89Å; E197-L201 HydrophobicContact CG-CD1 4.44Å; E197-L201 WeakPolarHBondContact O-CG 3.29Å; E197-L201 PolarHBondContact O-N 2.98Å
198	A	94.8	Very high	92.4	Very high	46 Å²	46	82 Å²	82	38%	0.38	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-42.3	178.7	0	0	0	0	0	112.5	A194 I195 F196 V200 L201 I202	A194-A198 WeakPolarHBondContact O-CB 3.32Å; A194-A198 PolarHBondContact O-N 3.03Å; I195-A198 PolarHBondContact O-N 3.46Å; F196-A198 PolarHBondContact O-N 3.49Å; A198-V200 PolarHBondContact O-N 3.14Å; A198-L201 PolarHBondContact O-N 3.32Å; A198-I202 VanDerWaalsContact O-CG1 3.29Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 3.17Å
199	V	95.4	Very high	92.8	Very high	79 Å²	79	83.1 Å²	83.1	48%	0.479	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-40.8	177	172.3	0	0	0	0	111.4	I195 F196 E197 L201 I202 T203	I195-V199 WeakPolarHBondContact O-CG2 3.3Å; I195-V199 PolarHBondContact O-N 3.03Å; I195-V199 VanDerWaalsContact O-N 3.11Å; F196-V199 PolarHBondContact O-N 3.33Å; E197-V199 VanDerWaalsContact C-N 3.34Å; E197-V199 PolarHBondContact O-N 3.1Å; V199-L201 PolarHBondContact O-N 3.22Å; V199-I202 PolarHBondContact O-N 3.01Å; V199-T203 HydrophobicContact CG1-CG2 4.43Å; V199-T203 WeakPolarHBondContact O-CG2 3.42Å; V199-T203 PolarHBondContact O-N 3.41Å; V199-T203 PolarHBondContact O-OG1 3.03Å; V199-T203 VanDerWaalsContact O-OG1 3.1Å
200	V	94.4	Very high	93.2	Very high	66 Å²	66	88.1 Å²	88.1	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-42.1	177.1	173.7	0	0	0	0	111.2	F196 E197 A198 T203 M204	F196-V200 HydrophobicContact CE1-CG2 4.03Å; F196-V200 HydrophobicContact CE2-CG2 4.19Å; F196-V200 HydrophobicContact CZ-CG2 3.84Å; F196-V200 WeakPolarHBondContact O-CG2 3.48Å; F196-V200 PolarHBondContact O-N 3.19Å; F196-V200 VanDerWaalsContact O-N 3.14Å; E197-V200 PolarHBondContact O-N 2.89Å; A198-V200 PolarHBondContact O-N 3.14Å; V200-T203 WeakPolarHBondContact CA-OG1 3.4Å; V200-T203 PolarHBondContact O-N 2.96Å; V200-T203 PolarHBondContact O-OG1 3.42Å; V200-M204 WeakPolarHBondContact O-CB 3.32Å; V200-M204 PolarHBondContact O-N 2.98Å
201	L	95.2	Very high	93.2	Very high	96 Å²	96	91.6 Å²	91.6	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-41.3	177	-68.3	175.1	0	0	0	112.7	E197 A198 V199 M204 T205	E197-L201 HydrophobicContact CG-CD1 4.44Å; E197-L201 WeakPolarHBondContact O-CG 3.29Å; E197-L201 PolarHBondContact O-N 2.98Å; A198-L201 PolarHBondContact O-N 3.32Å; V199-L201 PolarHBondContact O-N 3.22Å; L201-M204 PolarHBondContact O-N 3.43Å; L201-T205 WeakPolarHBondContact O-CG2 3.49Å; L201-T205 PolarHBondContact O-N 3.39Å; L201-T205 PolarHBondContact O-OG1 2.91Å
202	I	96	Very high	93.3	Very high	112 Å²	112	93.1 Å²	93.1	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-44.6	176.6	-69	165	0	0	0	110.9	A198 V199 T205 A206	A198-I202 VanDerWaalsContact O-CG1 3.29Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 3.17Å; V199-I202 PolarHBondContact O-N 3.01Å; I202-T205 PolarHBondContact O-N 3.49Å; I202-T205 PolarHBondContact O-OG1 3.42Å; I202-A206 VanDerWaalsContact O-CB 3.32Å; I202-A206 WeakPolarHBondContact O-CB 3.4Å; I202-A206 PolarHBondContact O-N 2.95Å
203	T	95.3	Very high	93.5	Very high	85 Å²	85	94.2 Å²	94.2	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-37.7	178.9	55.3	0	0	0	0	112.4	V199 V200 G207	V199-T203 HydrophobicContact CG1-CG2 4.43Å; V199-T203 WeakPolarHBondContact O-CG2 3.42Å; V199-T203 PolarHBondContact O-N 3.41Å; V199-T203 PolarHBondContact O-OG1 3.03Å; V199-T203 VanDerWaalsContact O-OG1 3.1Å; V200-T203 WeakPolarHBondContact CA-OG1 3.4Å; V200-T203 PolarHBondContact O-N 2.96Å; V200-T203 PolarHBondContact O-OG1 3.42Å; T203-G207 PolarHBondContact O-N 3.38Å
204	M	95.5	Very high	93.6	Very high	112 Å²	112	95.9 Å²	95.9	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-64.2	-47	176.3	-177.2	175.1	175.8	0	0	112	V200 L201 G207 Q208	V200-M204 WeakPolarHBondContact O-CB 3.32Å; V200-M204 PolarHBondContact O-N 2.98Å; L201-M204 PolarHBondContact O-N 3.43Å; M204-G207 PolarHBondContact O-N 3.4Å; M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.5Å
205	T	95.4	Very high	93.4	Very high	70 Å²	70	97.5 Å²	97.5	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-42.1	178.6	52.6	0	0	0	0	112	L201 I202 G207 Q208 I209	L201-T205 WeakPolarHBondContact O-CG2 3.49Å; L201-T205 PolarHBondContact O-N 3.39Å; L201-T205 PolarHBondContact O-OG1 2.91Å; I202-T205 PolarHBondContact O-N 3.49Å; I202-T205 PolarHBondContact O-OG1 3.42Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 2.9Å; T205-Q208 PolarHBondContact O-N 2.99Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 3.39Å
206	A	94.8	Very high	93.1	Very high	53 Å²	53	99.3 Å²	99.3	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-39.7	172.9	0	0	0	0	0	111.9	I202 I209 Y210	I202-A206 VanDerWaalsContact O-CB 3.32Å; I202-A206 WeakPolarHBondContact O-CB 3.4Å; I202-A206 PolarHBondContact O-N 2.95Å; A206-I209 PolarHBondContact O-N 2.98Å; A206-Y210 WeakPolarHBondContact O-CB 3.33Å; A206-Y210 PolarHBondContact O-N 3.24Å
207	G	94.2	Very high	92.9	Very high	37 Å²	37	101.2 Å²	101.2	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.2	0	0	0	0	0	113.2	T203 M204 T205 Y210 Y211	T203-G207 PolarHBondContact O-N 3.38Å; M204-G207 PolarHBondContact O-N 3.4Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 2.9Å; G207-Y210 PolarHBondContact O-N 2.95Å; G207-Y211 WeakPolarHBondContact O-CB 3.41Å; G207-Y211 PolarHBondContact O-N 3.33Å
208	Q	94.7	Very high	92.2	Very high	107 Å²	107	100.4 Å²	100.4	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-45.8	174.4	-72.5	175.6	-12.2	0	0	111.6	M204 T205 Y210 Y211 L212	M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.5Å; T205-Q208 PolarHBondContact O-N 2.99Å; Q208-Y210 PolarHBondContact O-N 2.92Å; Q208-Y211 PolarHBondContact O-N 3.39Å; Q208-L212 WeakPolarHBondContact O-CG 3.43Å; Q208-L212 PolarHBondContact O-N 3.48Å
209	I	94.6	Very high	91	Very high	95 Å²	95	107 Å²	107	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-44.8	177.7	-66.2	164.3	0	0	0	110.7	T205 A206 L212 K213	T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 3.39Å; A206-I209 PolarHBondContact O-N 2.98Å; I209-L212 PolarHBondContact O-N 3.4Å; I209-K213 HydrophobicContact CG2-CD 4.26Å; I209-K213 WeakPolarHBondContact O-CG 3.42Å; I209-K213 PolarHBondContact O-N 3.27Å
210	Y	94	Very high	89.4	Confident	147 Å²	147	113.1 Å²	113.1	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-61.3	-44	177.3	174.7	-101.1	0	0	0	112	A206 G207 Q208 K213 R214	A206-Y210 WeakPolarHBondContact O-CB 3.33Å; A206-Y210 PolarHBondContact O-N 3.24Å; G207-Y210 PolarHBondContact O-N 2.95Å; Q208-Y210 PolarHBondContact O-N 2.92Å; Y210-K213 PolarHBondContact O-N 3.27Å; Y210-R214 WeakPolarHBondContact O-CB 3.35Å; Y210-R214 PolarHBondContact O-N 2.88Å
211	Y	91	Very high	87.7	Confident	161 Å²	161	115.5 Å²	115.5	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-60	-47.2	177.1	-178.9	-93.5	0	0	0	111.8	G207 Q208 R214 F215	G207-Y211 WeakPolarHBondContact O-CB 3.41Å; G207-Y211 PolarHBondContact O-N 3.33Å; Q208-Y211 PolarHBondContact O-N 3.39Å; Y211-R214 PolarHBondContact O-N 3.21Å; Y211-F215 WeakPolarHBondContact O-CB 3.16Å; Y211-F215 PolarHBondContact O-N 3.34Å
212	L	91.3	Very high	85.6	Confident	96 Å²	96	122.2 Å²	122.2	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-63.1	-43.9	177.9	-71.1	174.5	0	0	0	112.1	Q208 I209 R214 F215 F216	Q208-L212 WeakPolarHBondContact O-CG 3.43Å; Q208-L212 PolarHBondContact O-N 3.48Å; I209-L212 PolarHBondContact O-N 3.4Å; L212-R214 VanDerWaalsContact C-N 3.35Å; L212-R214 PolarHBondContact O-N 3Å; L212-F215 PolarHBondContact O-N 3.37Å; L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 PolarHBondContact O-N 3.13Å; L212-F216 VanDerWaalsContact O-N 3.13Å
213	K	91	Very high	85	Confident	146 Å²	146	122.7 Å²	122.7	64%	0.635	59%	0.59	S	S	*	*	H	α-helix	trans	-59.9	-45.2	175.7	-76.4	-175.9	175.8	-175.6	0	111.7	I209 Y210 F215 F216 E217	I209-K213 HydrophobicContact CG2-CD 4.26Å; I209-K213 WeakPolarHBondContact O-CG 3.42Å; I209-K213 PolarHBondContact O-N 3.27Å; Y210-K213 PolarHBondContact O-N 3.27Å; K213-F215 VanDerWaalsContact C-N 3.34Å; K213-F215 PolarHBondContact O-N 3.46Å; K213-F216 PolarHBondContact O-N 3.03Å; K213-E217 PolarHBondContact O-N 3.35Å
214	R	89.8	Confident	84.5	Confident	145 Å²	145	124.7 Å²	124.7	55%	0.547	59%	0.594	S	S	.	*	H	α-helix	trans	-64.9	-37.2	177.8	-171.9	175.1	-178.8	-177.9	2.2	112.3	Y210 Y211 L212 E217 V218	Y210-R214 WeakPolarHBondContact O-CB 3.35Å; Y210-R214 PolarHBondContact O-N 2.88Å; Y211-R214 PolarHBondContact O-N 3.21Å; L212-R214 VanDerWaalsContact C-N 3.35Å; L212-R214 PolarHBondContact O-N 3Å; R214-E217 PolarHBondContact O-N 3.39Å; R214-V218 WeakPolarHBondContact O-CG2 3.44Å; R214-V218 PolarHBondContact O-N 2.92Å
215	F	87.3	Confident	83.9	Confident	85 Å²	85	125.4 Å²	125.4	37%	0.373	60%	0.596	S	S	.	*	H	α-helix	trans	-61.5	-43.1	175.7	179.3	-95.3	0	0	0	112.1	Y211 L212 K213	Y211-F215 WeakPolarHBondContact O-CB 3.16Å; Y211-F215 PolarHBondContact O-N 3.34Å; L212-F215 PolarHBondContact O-N 3.37Å; K213-F215 VanDerWaalsContact C-N 3.34Å; K213-F215 PolarHBondContact O-N 3.46Å
216	F	88.5	Confident	83.2	Confident	135 Å²	135	128.6 Å²	128.6	59%	0.592	61%	0.606	S	S	*	*	H	α-helix	trans	-72.3	-33.7	176.9	-70.6	-57.2	0	0	0	113.1	L212 K213 R219 R220	L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 PolarHBondContact O-N 3.13Å; L212-F216 VanDerWaalsContact O-N 3.13Å; K213-F216 PolarHBondContact O-N 3.03Å; F216-R219 PolarHBondContact O-N 3.29Å; F216-R220 PolarHBondContact O-N 3.35Å
217	E	86.5	Confident	82.5	Confident	130 Å²	130	133.4 Å²	133.4	61%	0.607	62%	0.617	S	S	*	*	H	α-helix	trans	-63.9	-46.1	178.7	-172.4	174.2	-169.6	0	0	112.2	K213 R214 R219 R220	K213-E217 PolarHBondContact O-N 3.35Å; R214-E217 PolarHBondContact O-N 3.39Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.48Å; E217-R220 PolarHBondContact O-N 3.46Å
218	V	77.1	Confident	81.7	Confident	106 Å²	106	139.8 Å²	139.8	64%	0.642	63%	0.632	S	S	*	*	H	α-helix	trans	-68.6	-26.9	-178.4	178.5	0	0	0	0	112.3	R214	R214-V218 WeakPolarHBondContact O-CG2 3.44Å; R214-V218 PolarHBondContact O-N 2.92Å
219	R	69.2	Low	80.8	Confident	183 Å²	183	142.1 Å²	142.1	69%	0.691	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-2.1	178.1	-76.6	-165.4	-167.2	-115.9	3.7	115	F216 E217 V221	F216-R219 PolarHBondContact O-N 3.29Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.48Å; R219-V221 PolarHBondContact O-N 2.92Å
220	R	61.8	Low	79.7	Confident	209 Å²	209	145.8 Å²	145.8	79%	0.789	65%	0.654	S	S	*	*			trans	-79	61.8	167	-66.7	-164.5	-66.8	170.9	-1.5	110.3	F216 E217	F216-R220 PolarHBondContact O-N 3.35Å; E217-R220 PolarHBondContact O-N 3.46Å
221	V	58.3	Low	78.5	Confident	115 Å²	115	145.7 Å²	145.7	70%	0.697	66%	0.66	S	S	*	*			trans	-115.4	86.6	159.3	-178.5	0	0	0	0	105.6	R219	R219-V221 PolarHBondContact O-N 2.92Å
222	I	50.5	Low	77.4	Confident	237 Å²	237	144.3 Å²	144.3	100%	1.215	66%	0.663	S	S	*	*			trans	59.3	0	164.6	-39.9	162.4	0	0	0	115.2

Retrieved 222 of 222 residues in 166.7 ms (Link to these results)

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