A0A087YEJ2_POEFO Loading...

ADP-ribosylation factor-like 8Ba

AlphaFold DB (A0A146VX02), UniProt , Accession A0A087YEJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 186 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	55.6	Low	69	Low	199 Å²	199	121 Å²	121	98%	0.98	60%	0.602	S	S	*	*				0	-54.7	0	-136.4	-179.1	-74.6	0	0	111.7	A3 L4 I5	M1-A3 PolarHBondContact O-N 3.2Å; M1-L4 PolarHBondContact O-N 3.14Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.1Å; M1-I5 VanDerWaalsContact O-N 3.14Å
2	L	63.7	Low	68.7	Low	135 Å²	135	119.2 Å²	119.2	71%	0.707	59%	0.588	S	S	*	*	H	α-helix	trans	-58.4	-42.5	177.5	-77.8	150.4	0	0	0	115	L4 I5 N6	L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.44Å; L2-I5 PolarHBondContact O-N 3.42Å; L2-N6 WeakPolarHBondContact O-CB 3.4Å; L2-N6 PolarHBondContact O-N 3.37Å
3	A	65.6	Low	68.3	Low	68 Å²	68	121.8 Å²	121.8	56%	0.562	59%	0.588	S	S	*	*	H	α-helix	trans	-65.8	-30.7	177.8	0	0	0	0	0	113.4	M1 R7	M1-A3 PolarHBondContact O-N 3.2Å; A3-R7 WeakPolarHBondContact O-CG 3.35Å; A3-R7 PolarHBondContact O-N 3.32Å; A3-R7 VanDerWaalsContact O-N 3.1Å
4	L	71.1	Confident	67.9	Low	127 Å²	127	115.3 Å²	115.3	67%	0.665	56%	0.561	S	S	*	*	H	α-helix	trans	-73.6	-41.8	177.3	-146.6	88.6	0	0	0	110.3	M1 L2 R7 L8	M1-L4 PolarHBondContact O-N 3.14Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.44Å; L4-R7 PolarHBondContact O-N 3.3Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 2.89Å
5	I	79.4	Confident	67.2	Low	88 Å²	88	113.9 Å²	113.9	45%	0.451	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-42.3	176.2	-65.3	165.1	0	0	0	110.8	M1 L2 L8 L9	M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.1Å; M1-I5 VanDerWaalsContact O-N 3.14Å; L2-I5 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 3.38Å; I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.37Å; I5-L9 WeakPolarHBondContact O-CB 3.36Å; I5-L9 WeakPolarHBondContact O-CG 3.26Å; I5-L9 PolarHBondContact O-N 2.81Å
6	N	72.3	Confident	66.7	Low	87 Å²	87	116.2 Å²	116.2	47%	0.465	56%	0.563	S	S	.	*	H	α-helix	trans	-63.6	-43.7	175.8	-75.1	-10.9	0	0	0	111.9	L2 L8 L9 D10	L2-N6 WeakPolarHBondContact O-CB 3.4Å; L2-N6 PolarHBondContact O-N 3.37Å; N6-L8 VanDerWaalsContact C-N 3.29Å; N6-L8 PolarHBondContact O-N 3.25Å; N6-L9 PolarHBondContact O-N 2.84Å; N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 VanDerWaalsContact O-CG 3.24Å; N6-D10 PolarHBondContact O-N 2.98Å
7	R	69.4	Low	66.7	Low	196 Å²	196	118.1 Å²	118.1	74%	0.74	56%	0.563	S	S	*	*	H	α-helix	trans	-61.4	-38.3	173.9	-77.7	-178.7	179.1	-174.7	0.1	112.6	A3 L4 W11	A3-R7 WeakPolarHBondContact O-CG 3.35Å; A3-R7 PolarHBondContact O-N 3.32Å; A3-R7 VanDerWaalsContact O-N 3.1Å; L4-R7 PolarHBondContact O-N 3.3Å; R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.35Å; R7-W11 PolarHBondContact O-N 2.82Å
8	L	73.6	Confident	67	Low	100 Å²	100	120.8 Å²	120.8	52%	0.524	57%	0.572	S	S	.	*	H	α-helix	trans	-73	-34.9	179.7	-147.8	134.9	0	0	0	111.7	L4 I5 N6 F12	L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 2.89Å; I5-L8 PolarHBondContact O-N 3.38Å; N6-L8 VanDerWaalsContact C-N 3.29Å; N6-L8 PolarHBondContact O-N 3.25Å; L8-F12 HydrophobicContact CD2-CD2 3.99Å; L8-F12 HydrophobicContact CD2-CE2 4.14Å; L8-F12 WeakPolarHBondContact O-CB 3.38Å; L8-F12 PolarHBondContact O-N 2.93Å
9	L	74.3	Confident	67.9	Low	86 Å²	86	117.4 Å²	117.4	45%	0.45	56%	0.555	S	S	.	*	H	α-helix	trans	-70.3	-40.3	172	-79	167.7	0	0	0	112.5	I5 N6 W11 F12 R13	I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.37Å; I5-L9 WeakPolarHBondContact O-CB 3.36Å; I5-L9 WeakPolarHBondContact O-CG 3.26Å; I5-L9 PolarHBondContact O-N 2.81Å; N6-L9 PolarHBondContact O-N 2.84Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-F12 PolarHBondContact O-N 2.8Å; L9-R13 WeakPolarHBondContact O-CB 3.41Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.28Å; L9-R13 PolarHBondContact O-N 3.44Å
10	D	67	Low	68.9	Low	97 Å²	97	117.1 Å²	117.1	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-66	-38.1	174.1	-71.5	-26.8	0	0	0	110.8	N6 R13 S14	N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 VanDerWaalsContact O-CG 3.24Å; N6-D10 PolarHBondContact O-N 2.98Å; D10-R13 PolarHBondContact O-N 2.76Å; D10-S14 VanDerWaalsContact O-CB 3.28Å; D10-S14 WeakPolarHBondContact O-CB 3.29Å; D10-S14 PolarHBondContact O-N 3.35Å
11	W	66.7	Low	70	Confident	148 Å²	148	111.5 Å²	111.5	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-45.2	171.3	-179.4	80.2	0	0	0	112	R7 L9 R13 S14 L15	R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.35Å; R7-W11 PolarHBondContact O-N 2.82Å; L9-W11 VanDerWaalsContact C-N 3.32Å; W11-R13 PolarHBondContact O-N 3.03Å; W11-S14 WeakPolarHBondContact CA-OG 3.43Å; W11-S14 WeakPolarHBondContact O-CB 3.32Å; W11-S14 PolarHBondContact O-N 3.42Å; W11-S14 VanDerWaalsContact O-N 3.17Å; W11-S14 PolarHBondContact O-OG 3.46Å; W11-L15 HydrophobicContact CD2-CD1 3.65Å; W11-L15 HydrophobicContact CE3-CD1 3.64Å; W11-L15 HydrophobicContact CG-CD1 4.49Å; W11-L15 HydrophobicContact CH2-CD1 3.43Å; W11-L15 VanDerWaalsContact CH2-CD1 3.43Å; W11-L15 HydrophobicContact CZ2-CD1 3.43Å; W11-L15 VanDerWaalsContact CZ2-CD1 3.43Å; W11-L15 HydrophobicContact CZ3-CD1 3.53Å; W11-L15 PolarHBondContact O-N 3.15Å
12	F	65.9	Low	71.8	Confident	99 Å²	99	104.8 Å²	104.8	43%	0.434	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-43.1	173.5	-107.9	-91	0	0	0	111.7	L8 L9 S14 L15 F16	L8-F12 HydrophobicContact CD2-CD2 3.99Å; L8-F12 HydrophobicContact CD2-CE2 4.14Å; L8-F12 WeakPolarHBondContact O-CB 3.38Å; L8-F12 PolarHBondContact O-N 2.93Å; L9-F12 PolarHBondContact O-N 2.8Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.17Å; F12-L15 WeakPolarHBondContact O-CB 3.41Å; F12-L15 PolarHBondContact O-N 2.96Å; F12-L15 VanDerWaalsContact O-N 3.17Å; F12-F16 HydrophobicContact CD1-CD2 4.03Å; F12-F16 AromaticContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CD1-CE2 3.63Å; F12-F16 AromaticContact CE1-CE2 3.85Å; F12-F16 HydrophobicContact CE1-CE2 3.85Å; F12-F16 VanDerWaalsContact O-CD2 3.3Å; F12-F16 WeakPolarHBondContact O-CD2 3.3Å; F12-F16 PolarHBondContact O-N 3.17Å; F12-F16 VanDerWaalsContact O-N 3.15Å
13	R	63.7	Low	73.3	Confident	154 Å²	154	98.3 Å²	98.3	58%	0.581	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-36.2	174.7	-76.1	174.1	174.2	-179.2	-1.8	111.8	L9 D10 W11 L15 F16 W17	L9-R13 WeakPolarHBondContact O-CB 3.41Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.28Å; L9-R13 PolarHBondContact O-N 3.44Å; D10-R13 PolarHBondContact O-N 2.76Å; W11-R13 PolarHBondContact O-N 3.03Å; R13-L15 VanDerWaalsContact C-N 3.27Å; R13-L15 PolarHBondContact O-N 3.34Å; R13-F16 PolarHBondContact O-N 3.4Å; R13-W17 HydrophobicContact CB-CE3 4.02Å; R13-W17 HydrophobicContact CB-CZ3 4.19Å; R13-W17 HydrophobicContact CG-CE3 4.07Å; R13-W17 HydrophobicContact CG-CZ3 3.78Å; R13-W17 PolarHBondContact O-N 2.57Å
14	S	62.2	Low	74.9	Confident	30 Å²	30	95.1 Å²	95.1	21%	0.21	43%	0.433	C	S	.	.	H	α-helix	trans	-63.2	-34.9	174.7	78.4	0	0	0	0	112.7	D10 W11 F12 N64	D10-S14 VanDerWaalsContact O-CB 3.28Å; D10-S14 WeakPolarHBondContact O-CB 3.29Å; D10-S14 PolarHBondContact O-N 3.35Å; W11-S14 WeakPolarHBondContact CA-OG 3.43Å; W11-S14 WeakPolarHBondContact O-CB 3.32Å; W11-S14 PolarHBondContact O-N 3.42Å; W11-S14 VanDerWaalsContact O-N 3.17Å; W11-S14 PolarHBondContact O-OG 3.46Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.17Å; S14-N64 WeakPolarHBondContact CA-ND2 3.43Å; S14-N64 WeakPolarHBondContact CB-ND2 3.45Å; S14-N64 WeakPolarHBondContact CB-OD1 3.11Å; S14-N64 PolarHBondContact O-OD1 2.88Å
15	L	57.8	Low	76.1	Confident	94 Å²	94	89.1 Å²	89.1	49%	0.492	40%	0.401	S	S	.	.	H	α-helix	trans	-71.8	-34.8	177.1	-88.4	151.8	0	0	0	113.6	W11 F12 R13	W11-L15 HydrophobicContact CD2-CD1 3.65Å; W11-L15 HydrophobicContact CE3-CD1 3.64Å; W11-L15 HydrophobicContact CG-CD1 4.49Å; W11-L15 HydrophobicContact CH2-CD1 3.43Å; W11-L15 VanDerWaalsContact CH2-CD1 3.43Å; W11-L15 HydrophobicContact CZ2-CD1 3.43Å; W11-L15 VanDerWaalsContact CZ2-CD1 3.43Å; W11-L15 HydrophobicContact CZ3-CD1 3.53Å; W11-L15 PolarHBondContact O-N 3.15Å; F12-L15 WeakPolarHBondContact O-CB 3.41Å; F12-L15 PolarHBondContact O-N 2.96Å; F12-L15 VanDerWaalsContact O-N 3.17Å; R13-L15 VanDerWaalsContact C-N 3.27Å; R13-L15 PolarHBondContact O-N 3.34Å
16	F	58.9	Low	77	Confident	151 Å²	151	84.9 Å²	84.9	66%	0.662	38%	0.38	S	S	*	.	H	α-helix	trans	-97.5	-23	-174	-78.7	-78.5	0	0	0	114.8	F12 R13	F12-F16 HydrophobicContact CD1-CD2 4.03Å; F12-F16 AromaticContact CD1-CE2 3.63Å; F12-F16 HydrophobicContact CD1-CE2 3.63Å; F12-F16 AromaticContact CE1-CE2 3.85Å; F12-F16 HydrophobicContact CE1-CE2 3.85Å; F12-F16 VanDerWaalsContact O-CD2 3.3Å; F12-F16 WeakPolarHBondContact O-CD2 3.3Å; F12-F16 PolarHBondContact O-N 3.17Å; F12-F16 VanDerWaalsContact O-N 3.15Å; R13-F16 PolarHBondContact O-N 3.4Å
17	W	66.3	Low	78.2	Confident	149 Å²	149	80.8 Å²	80.8	56%	0.564	36%	0.358	S	S	*	.			trans	-113.3	93.5	-179	-74	-92.9	0	0	0	111.3	R13 N64	R13-W17 HydrophobicContact CB-CE3 4.02Å; R13-W17 HydrophobicContact CB-CZ3 4.19Å; R13-W17 HydrophobicContact CG-CE3 4.07Å; R13-W17 HydrophobicContact CG-CZ3 3.78Å; R13-W17 PolarHBondContact O-N 2.57Å; W17-N64 WeakPolarHBondContact O-CB 3.42Å
18	K	72.3	Confident	79.5	Confident	167 Å²	167	72.1 Å²	72.1	73%	0.726	33%	0.326	S	S	*	.			trans	-82	122.8	164.1	-68.8	-177	-179.2	179.2	0	109.1	N64	K18-N64 CarbonylContact C-O 3.51Å; K18-N64 VanDerWaalsContact CA-O 3.26Å; K18-N64 WeakPolarHBondContact CA-O 3.37Å
19	E	84.6	Confident	80.5	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.8	172.8	-66.4	-177.2	178	0	0	109.3	N64 V65 T66 S181 K182	E19-N64 PolarHBondContact N-O 2.75Å; E19-V65 HydrophobicContact CB-CG2 4.31Å; E19-V65 CarbonylContact O-C 3.58Å; E19-V65 WeakPolarHBondContact O-CA 3.34Å; E19-T66 PolarHBondContact O-N 2.63Å; E19-S181 PolarHBondContact OE2-OG 3.17Å; E19-K182 WeakPolarHBondContact OE1-CE 3.4Å; E19-K182 WeakPolarHBondContact OE1-CG 3.15Å; E19-K182 WeakPolarHBondContact OE2-CG 3.45Å
20	E	88.2	Confident	81.5	Confident	112 Å²	112	72.8 Å²	72.8	52%	0.523	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.5	169.7	-64.3	-159.6	163.6	0	0	109.1	T66 K68	E20-T66 WeakPolarHBondContact CA-O 3.37Å; E20-K68 WeakPolarHBondContact OE2-CE 3.45Å; E20-K68 IonicContact OE2-NZ 3.34Å; E20-K68 PolarHBondContact OE2-NZ 3.01Å
21	M	91.5	Very high	82.9	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	169.1	71.2	177.7	-65.1	0	0	109.7	L23 V65 T66 I67 K68 N90 L177	M21-L23 HydrophobicContact CE-CD2 3.97Å; M21-V65 HydrophobicContact CB-CG1 4.41Å; M21-V65 HydrophobicContact CG-CG1 3.82Å; M21-V65 HydrophobicContact SD-CG1 3.88Å; M21-T66 PolarHBondContact N-O 3.1Å; M21-I67 HydrophobicContact CE-CG2 4.46Å; M21-I67 HydrophobicContact CG-CB 3.95Å; M21-I67 HydrophobicContact CG-CG1 3.78Å; M21-I67 HydrophobicContact CG-CG2 3.79Å; M21-I67 CarbonylContact O-C 3.43Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CB 4.28Å; M21-I67 HydrophobicContact SD-CD1 3.86Å; M21-I67 HydrophobicContact SD-CG1 3.64Å; M21-I67 HydrophobicContact SD-CG2 3.97Å; M21-K68 PolarHBondContact O-N 3Å; M21-N90 WeakPolarHBondContact CA-OD1 3.09Å; M21-N90 HydrophobicContact CB-CB 4.43Å; M21-L177 HydrophobicContact CE-CB 4.03Å; M21-L177 HydrophobicContact CE-CD2 4.3Å; M21-L177 VanDerWaalsContact CE-O 3.24Å; M21-L177 WeakPolarHBondContact CE-O 3.44Å; M21-L177 HydrophobicContact SD-CB 4.47Å
22	E	94.3	Very high	84.2	Confident	57 Å²	57	61.7 Å²	61.7	27%	0.266	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.3	172.9	-54.4	-164.5	166.1	0	0	108.2	K68 V89 N90	E22-K68 WeakPolarHBondContact CA-O 3.22Å; E22-K68 HydrophobicContact CG-CB 4.15Å; E22-K68 HydrophobicContact CG-CD 4.08Å; E22-K68 HydrophobicContact CG-CG 4.39Å; E22-K68 WeakPolarHBondContact OE1-CD 3.32Å; E22-K68 IonicContact OE1-NZ 3.72Å; E22-K68 PolarHBondContact OE1-NZ 3.34Å; E22-V89 WeakPolarHBondContact O-CB 3.41Å; E22-N90 PolarHBondContact N-OD1 3.28Å; E22-N90 WeakPolarHBondContact O-CB 3.1Å; E22-N90 PolarHBondContact O-N 2.85Å; E22-N90 PolarHBondContact O-OD1 2.91Å
23	L	95.4	Very high	85.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.4	173.9	69.4	81.8	0	0	0	109.9	M21 I67 K68 I69 W70 A91 V93 L177	M21-L23 HydrophobicContact CE-CD2 3.97Å; L23-I67 HydrophobicContact CD2-CG2 3.45Å; L23-I67 VanDerWaalsContact CD2-CG2 3.45Å; L23-I67 HydrophobicContact CG-CG2 3.89Å; L23-K68 PolarHBondContact N-O 3.38Å; L23-I69 HydrophobicContact CD1-CB 4.12Å; L23-I69 HydrophobicContact CD1-CD1 4.45Å; L23-I69 HydrophobicContact CD1-CG1 3.85Å; L23-I69 HydrophobicContact CD1-CG2 3.69Å; L23-I69 HydrophobicContact CD2-CG1 4.37Å; L23-I69 HydrophobicContact CG-CG1 3.99Å; L23-I69 WeakPolarHBondContact O-CA 3.49Å; L23-W70 PolarHBondContact O-N 3.17Å; L23-A91 WeakPolarHBondContact CA-O 3.49Å; L23-A91 WeakPolarHBondContact CB-O 3.45Å; L23-V93 HydrophobicContact CD1-CG2 4.08Å; L23-V93 HydrophobicContact CD2-CG2 4.35Å; L23-L177 HydrophobicContact CD2-CD1 3.79Å; L23-L177 HydrophobicContact CD2-CD2 3.74Å; L23-L177 HydrophobicContact CD2-CG 4.3Å
24	T	97.2	Very high	87	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.1	175.4	-71.9	0	0	0	0	109.9	V26 W70 I72 Y85 C86 V89 A91 V93	T24-V26 HydrophobicContact CG2-CG1 3.74Å; T24-W70 HydrophobicContact CG2-CB 4.37Å; T24-I72 HydrophobicContact CG2-CG1 4.05Å; T24-Y85 PolarHBondContact OG1-O 3.42Å; T24-C86 VanDerWaalsContact CG2-SG 3.51Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.36Å; T24-A91 PolarHBondContact N-O 2.88Å; T24-V93 PolarHBondContact O-N 3.35Å
25	L	97.4	Very high	88.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.2	179.9	-177.8	62.2	0	0	0	109.3	K33 F36 V37 I69 W70 I72 V93 M95	L25-K33 HydrophobicContact CD1-CG 4.19Å; L25-K33 HydrophobicContact CD2-CB 3.63Å; L25-K33 HydrophobicContact CD2-CG 4.14Å; L25-K33 VanDerWaalsContact CD2-O 3.26Å; L25-K33 WeakPolarHBondContact CD2-O 3.24Å; L25-K33 HydrophobicContact CG-CB 3.81Å; L25-K33 HydrophobicContact CG-CD 4.08Å; L25-K33 HydrophobicContact CG-CG 3.77Å; L25-F36 HydrophobicContact CD2-CD1 3.98Å; L25-V37 HydrophobicContact CD2-CG2 3.47Å; L25-V37 VanDerWaalsContact CD2-CG2 3.47Å; L25-I69 HydrophobicContact CB-CG2 4.23Å; L25-W70 PolarHBondContact N-O 3.31Å; L25-I72 PolarHBondContact O-N 2.98Å; L25-V93 WeakPolarHBondContact CA-O 3.43Å; L25-V93 HydrophobicContact CD1-CB 3.76Å; L25-V93 HydrophobicContact CD1-CG1 3.5Å; L25-V93 VanDerWaalsContact CD1-CG1 3.5Å; L25-M95 HydrophobicContact CD1-CB 4.15Å; L25-M95 HydrophobicContact CD1-CE 3.99Å
26	V	97.9	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	167	-175.2	-75.7	0	0	0	0	110.9	T24 I72 W82 I92 V93 Y94 M95 L114	T24-V26 HydrophobicContact CG2-CG1 3.74Å; V26-I72 HydrophobicContact CG1-CB 4.15Å; V26-I72 HydrophobicContact CG1-CG1 4.17Å; V26-W82 HydrophobicContact CB-CD2 4.05Å; V26-W82 HydrophobicContact CB-CE3 4.27Å; V26-W82 HydrophobicContact CB-CG 4.33Å; V26-W82 HydrophobicContact CG1-CB 4.05Å; V26-W82 HydrophobicContact CG1-CD2 3.97Å; V26-W82 HydrophobicContact CG1-CG 3.72Å; V26-I92 HydrophobicContact CG2-CG2 3.79Å; V26-V93 PolarHBondContact N-O 3.03Å; V26-Y94 HydrophobicContact CG2-CD2 3.93Å; V26-Y94 WeakPolarHBondContact O-CA 3.47Å; V26-M95 PolarHBondContact O-N 3.36Å; V26-L114 HydrophobicContact CG2-CD2 3.93Å
27	G	97.9	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.176	C	C	.	.			trans	138.6	168.6	-173.4	0	0	0	0	0	111.8	K33 G74 W82	G27-K33 PolarHBondContact O-NZ 3.37Å; G27-G74 VanDerWaalsContact O-CA 3.29Å; G27-G74 WeakPolarHBondContact O-CA 3.33Å; G27-W82 WeakPolarHBondContact O-CZ2 3.26Å
28	L	97.3	Very high	93	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	16%	0.156	C	C	.	.	S	Bend	trans	-59.7	158	-175.9	-57.6	-172.6	0	0	0	112.8	S31 K33 K103 A106 E110	L28-S31 WeakPolarHBondContact O-CB 3.35Å; L28-S31 PolarHBondContact O-N 3.37Å; L28-S31 PolarHBondContact O-OG 2.62Å; L28-K33 PolarHBondContact O-NZ 3.34Å; L28-K103 HydrophobicContact CD1-CB 4.03Å; L28-A106 HydrophobicContact CD1-CB 4.41Å; L28-E110 HydrophobicContact CD2-CG 4.14Å
29	Q	94.4	Very high	93.8	Very high	66 Å²	66	25.8 Å²	25.8	31%	0.308	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	148	172.5	62.3	175.4	15.1	0	0	110.9	S31 G74	Q29-S31 PolarHBondContact O-N 2.82Å; Q29-G74 PolarHBondContact N-O 2.91Å
30	Y	94.1	Very high	94	Very high	134 Å²	134	23.3 Å²	23.3	53%	0.525	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	6.6	-178.7	-48.3	-65.8	0	0	0	116.9	G32 P51 K131	Y30-G32 PolarHBondContact O-N 3.22Å; Y30-P51 HydrophobicContact CD1-CG 4.26Å; Y30-P51 HydrophobicContact CE1-CG 3.37Å; Y30-K131 WeakPolarHBondContact O-CE 3.41Å; Y30-K131 PolarHBondContact O-NZ 3.32Å
31	S	96.6	Very high	93.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.106	C	C	.	.	S	Bend	trans	-70.2	-9.4	173.9	67.5	0	0	0	0	114.9	L28 Q29 M95 N130	L28-S31 WeakPolarHBondContact O-CB 3.35Å; L28-S31 PolarHBondContact O-N 3.37Å; L28-S31 PolarHBondContact O-OG 2.62Å; Q29-S31 PolarHBondContact O-N 2.82Å; S31-M95 VanDerWaalsContact CB-O 3.25Å; S31-M95 WeakPolarHBondContact CB-O 3.36Å; S31-M95 VanDerWaalsContact O-CG 3.31Å; S31-M95 WeakPolarHBondContact O-CG 3.5Å; S31-M95 WeakPolarHBondContact OG-CG 3.42Å; S31-M95 PolarHBondContact OG-O 2.63Å; S31-N130 PolarHBondContact O-ND2 3.37Å
32	G	95.3	Very high	93.1	Very high	11 Å²	11	23.4 Å²	23.4	11%	0.113	13%	0.128	C	C	.	.	S	Bend	trans	95	21.1	176.5	0	0	0	0	0	115.2	Y30 T35 F36	Y30-G32 PolarHBondContact O-N 3.22Å; G32-T35 WeakPolarHBondContact O-CB 3.43Å; G32-T35 PolarHBondContact O-N 3.12Å; G32-F36 WeakPolarHBondContact O-CB 3.12Å; G32-F36 PolarHBondContact O-N 3.39Å
33	K	95.3	Very high	91.8	Very high	11 Å²	11	22 Å²	22	5%	0.048	13%	0.129	C	C	.	.	H	α-helix	trans	-53.2	-59.2	177	-67.3	-175.8	-63.3	-66.4	0	113.4	L25 G27 L28 T35 F36 V37 D71 I72 M95	L25-K33 HydrophobicContact CD1-CG 4.19Å; L25-K33 HydrophobicContact CD2-CB 3.63Å; L25-K33 HydrophobicContact CD2-CG 4.14Å; L25-K33 VanDerWaalsContact CD2-O 3.26Å; L25-K33 WeakPolarHBondContact CD2-O 3.24Å; L25-K33 HydrophobicContact CG-CB 3.81Å; L25-K33 HydrophobicContact CG-CD 4.08Å; L25-K33 HydrophobicContact CG-CG 3.77Å; G27-K33 PolarHBondContact O-NZ 3.37Å; L28-K33 PolarHBondContact O-NZ 3.34Å; K33-T35 PolarHBondContact O-N 3.45Å; K33-F36 WeakPolarHBondContact O-CB 3.26Å; K33-F36 PolarHBondContact O-N 3.34Å; K33-F36 VanDerWaalsContact O-N 3.08Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å; K33-V37 PolarHBondContact O-N 2.94Å; K33-D71 WeakPolarHBondContact CB-OD1 3.46Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; K33-M95 HydrophobicContact CG-CB 3.69Å; K33-M95 HydrophobicContact CG-CG 4.09Å
34	T	92.1	Very high	90.2	Very high	22 Å²	22	28.5 Å²	28.5	14%	0.135	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-33.1	-178.1	-39.4	0	0	0	0	111.9	V37 N38 M49 T52 D71	T34-V37 PolarHBondContact O-N 2.78Å; T34-N38 PolarHBondContact O-N 2.81Å; T34-M49 HydrophobicContact CG2-CE 3.23Å; T34-T52 PolarHBondContact OG1-OG1 3.26Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 WeakPolarHBondContact CG2-OD2 3.06Å; T34-D71 PolarHBondContact OG1-OD2 2.8Å
35	T	93.4	Very high	88.7	Confident	21 Å²	21	32 Å²	32	13%	0.129	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-47.6	172	-51.3	0	0	0	0	111.3	G32 K33 V37 N38 V39 F45 C164	G32-T35 WeakPolarHBondContact O-CB 3.43Å; G32-T35 PolarHBondContact O-N 3.12Å; K33-T35 PolarHBondContact O-N 3.45Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 2.94Å; T35-N38 WeakPolarHBondContact O-CB 3.41Å; T35-N38 PolarHBondContact O-N 3.49Å; T35-N38 VanDerWaalsContact O-N 3.15Å; T35-V39 WeakPolarHBondContact O-CG2 3.45Å; T35-V39 PolarHBondContact O-N 3.26Å; T35-F45 HydrophobicContact CG2-CD2 3.42Å; T35-F45 VanDerWaalsContact CG2-CD2 3.42Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; T35-C164 HydrophobicContact CG2-CB 3.77Å
36	F	94.8	Very high	87.1	Confident	1 Å²	1	34.4 Å²	34.4	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-47.1	175.5	176	-100.4	0	0	0	110.8	L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173	L25-F36 HydrophobicContact CD2-CD1 3.98Å; G32-F36 WeakPolarHBondContact O-CB 3.12Å; G32-F36 PolarHBondContact O-N 3.39Å; K33-F36 WeakPolarHBondContact O-CB 3.26Å; K33-F36 PolarHBondContact O-N 3.34Å; K33-F36 VanDerWaalsContact O-N 3.08Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 2.95Å; F36-V39 PolarHBondContact O-N 3.34Å; F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.43Å; F36-I40 HydrophobicContact CE1-CD1 3.84Å; F36-I40 HydrophobicContact CE1-CG2 4.26Å; F36-I40 HydrophobicContact CE2-CG2 4.01Å; F36-I40 HydrophobicContact CZ-CD1 4.43Å; F36-I40 HydrophobicContact CZ-CG2 3.91Å; F36-I40 WeakPolarHBondContact O-CG1 3.37Å; F36-I40 PolarHBondContact O-N 3.35Å; F36-M95 HydrophobicContact CB-CE 3.56Å; F36-M95 HydrophobicContact CD1-CE 4.1Å; F36-M95 HydrophobicContact CD2-CE 4Å; F36-M95 HydrophobicContact CG-CE 3.62Å; F36-L128 HydrophobicContact CD2-CD1 4.42Å; F36-L128 HydrophobicContact CE2-CD1 3.96Å; F36-L128 HydrophobicContact CZ-CD1 4.01Å; F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.24Å; F36-I170 HydrophobicContact CD2-CD1 4.1Å; F36-I170 HydrophobicContact CE2-CD1 4.09Å; F36-T173 HydrophobicContact CE2-CG2 3.86Å; F36-T173 HydrophobicContact CZ-CG2 3.67Å
37	V	92.1	Very high	85.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-40.9	176.6	-174.7	0	0	0	0	112	L25 K33 T34 T35 I40 A41 R58 I69 D71	L25-V37 HydrophobicContact CD2-CG2 3.47Å; L25-V37 VanDerWaalsContact CD2-CG2 3.47Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å; K33-V37 PolarHBondContact O-N 2.94Å; T34-V37 PolarHBondContact O-N 2.78Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 2.94Å; V37-I40 VanDerWaalsContact O-CG1 3.25Å; V37-I40 WeakPolarHBondContact O-CG1 3.19Å; V37-A41 WeakPolarHBondContact O-CB 3.36Å; V37-A41 PolarHBondContact O-N 3.12Å; V37-R58 HydrophobicContact CG1-CB 3.82Å; V37-R58 HydrophobicContact CG1-CG 3.97Å; V37-I69 HydrophobicContact CG2-CG2 3.81Å; V37-D71 HydrophobicContact CG2-CB 4.36Å
38	N	90.1	Very high	83.4	Confident	26 Å²	26	48.4 Å²	48.4	14%	0.139	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-49.7	174.2	-82.2	-3.6	0	0	0	111.4	T34 T35 F36 I40 A41 S42 M49 R58	T34-N38 PolarHBondContact O-N 2.81Å; T35-N38 WeakPolarHBondContact O-CB 3.41Å; T35-N38 PolarHBondContact O-N 3.49Å; T35-N38 VanDerWaalsContact O-N 3.15Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 2.95Å; N38-I40 VanDerWaalsContact C-N 3.34Å; N38-I40 PolarHBondContact O-N 3.14Å; N38-A41 PolarHBondContact O-N 2.79Å; N38-A41 VanDerWaalsContact O-N 3.13Å; N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 2.98Å; N38-M49 WeakPolarHBondContact ND2-CE 3.16Å; N38-M49 PolarHBondContact ND2-SD 3.12Å; N38-R58 VanDerWaalsContact OD1-CZ 3.26Å; N38-R58 PolarHBondContact OD1-NH1 2.96Å; N38-R58 PolarHBondContact OD1-NH2 2.82Å
39	V	90.9	Very high	82.1	Confident	8 Å²	8	50.3 Å²	50.3	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-44.1	-176.3	169.7	0	0	0	0	111.1	T35 F36 G43 F45 C164 K167 I170	T35-V39 WeakPolarHBondContact O-CG2 3.45Å; T35-V39 PolarHBondContact O-N 3.26Å; F36-V39 PolarHBondContact O-N 3.34Å; V39-G43 WeakPolarHBondContact O-CA 3.24Å; V39-G43 PolarHBondContact O-N 3.5Å; V39-F45 HydrophobicContact CG2-CB 4.4Å; V39-C164 HydrophobicContact CG2-CB 4.32Å; V39-C164 WeakPolarHBondContact CG2-O 3.32Å; V39-K167 HydrophobicContact CG1-CG 4.18Å; V39-I170 HydrophobicContact CG1-CG1 4.4Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å
40	I	88	Confident	80.8	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-71.4	-31.4	178	65.2	-178.3	0	0	0	112.6	F36 V37 N38 V60 K62 I69 I170 L174	F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.43Å; F36-I40 HydrophobicContact CE1-CD1 3.84Å; F36-I40 HydrophobicContact CE1-CG2 4.26Å; F36-I40 HydrophobicContact CE2-CG2 4.01Å; F36-I40 HydrophobicContact CZ-CD1 4.43Å; F36-I40 HydrophobicContact CZ-CG2 3.91Å; F36-I40 WeakPolarHBondContact O-CG1 3.37Å; F36-I40 PolarHBondContact O-N 3.35Å; V37-I40 VanDerWaalsContact O-CG1 3.25Å; V37-I40 WeakPolarHBondContact O-CG1 3.19Å; N38-I40 VanDerWaalsContact C-N 3.34Å; N38-I40 PolarHBondContact O-N 3.14Å; I40-V60 HydrophobicContact CD1-CG2 4.45Å; I40-V60 HydrophobicContact CG1-CG1 4.5Å; I40-V60 HydrophobicContact CG1-CG2 4.21Å; I40-V60 WeakPolarHBondContact O-CG1 3.34Å; I40-K62 WeakPolarHBondContact O-CE 3.25Å; I40-K62 PolarHBondContact O-NZ 3.36Å; I40-I69 HydrophobicContact CD1-CD1 3.19Å; I40-I69 HydrophobicContact CG1-CD1 4.36Å; I40-I170 HydrophobicContact CG2-CG2 3.98Å; I40-L174 HydrophobicContact CB-CD2 4.31Å; I40-L174 HydrophobicContact CG2-CD1 4.41Å; I40-L174 HydrophobicContact CG2-CD2 4Å; I40-L174 HydrophobicContact CG2-CG 4.38Å
41	A	83.6	Confident	79.4	Confident	49 Å²	49	49.8 Å²	49.8	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-78.9	-51.4	-177.1	0	0	0	0	0	113	V37 N38 V60	V37-A41 WeakPolarHBondContact O-CB 3.36Å; V37-A41 PolarHBondContact O-N 3.12Å; N38-A41 PolarHBondContact O-N 2.79Å; N38-A41 VanDerWaalsContact O-N 3.13Å; A41-V60 HydrophobicContact CB-CG2 3.69Å
42	S	76.4	Confident	78.1	Confident	65 Å²	65	50.9 Å²	50.9	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-109.5	-11.1	-171.9	66.8	0	0	0	0	113.4	N38 H44	N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 2.98Å; S42-H44 PolarHBondContact O-N 3.39Å; S42-H44 PolarHBondContact O-ND1 2.8Å; S42-H44 PolarHBondContact OG-N 3.31Å
43	G	67.1	Low	77.2	Confident	28 Å²	28	55.5 Å²	55.5	29%	0.289	31%	0.312	S	S	.	.	S	Bend	trans	70.6	3.9	-170.8	0	0	0	0	0	113.8	V39 K167	V39-G43 WeakPolarHBondContact O-CA 3.24Å; V39-G43 PolarHBondContact O-N 3.5Å; G43-K167 WeakPolarHBondContact O-CE 3.34Å; G43-K167 PolarHBondContact O-NZ 2.86Å
44	H	63.2	Low	76.5	Confident	136 Å²	136	55.5 Å²	55.5	63%	0.63	32%	0.316	S	S	*	.			trans	-112.1	135.3	-177.4	-65.4	83.8	0	0	0	110.8	S42	S42-H44 PolarHBondContact O-N 3.39Å; S42-H44 PolarHBondContact O-ND1 2.8Å; S42-H44 PolarHBondContact OG-N 3.31Å
45	F	63.9	Low	76.1	Confident	72 Å²	72	59.4 Å²	59.4	32%	0.316	33%	0.331	S	S	.	.			trans	-87.7	142.9	168	174.1	-106.2	0	0	0	108.9	T35 V39 E47 K165	T35-F45 HydrophobicContact CG2-CD2 3.42Å; T35-F45 VanDerWaalsContact CG2-CD2 3.42Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; V39-F45 HydrophobicContact CG2-CB 4.4Å; F45-E47 HydrophobicContact CD1-CG 4.14Å; F45-E47 HydrophobicContact CE1-CB 4.36Å; F45-E47 HydrophobicContact CE1-CG 3.27Å; F45-E47 HydrophobicContact CZ-CG 3.88Å; F45-K165 HydrophobicContact CD1-CG 4.38Å; F45-K165 HydrophobicContact CE1-CB 4.49Å; F45-K165 HydrophobicContact CE1-CG 3.99Å; F45-K165 HydrophobicContact CE2-CB 4.25Å; F45-K165 HydrophobicContact CZ-CB 4.22Å; F45-K165 HydrophobicContact CZ-CG 4.15Å
46	S	64.4	Low	75.8	Confident	53 Å²	53	61.7 Å²	61.7	37%	0.371	34%	0.343	S	S	.	.			trans	-129	125.8	174.5	-173.6	0	0	0	0	107.1	M49	S46-M49 WeakPolarHBondContact O-CG 3.5Å
47	E	57.7	Low	75.5	Confident	144 Å²	144	65 Å²	65	67%	0.673	36%	0.359	S	S	*	.	S	Bend	trans	-72.3	-35.2	179.4	-75.5	-174	162.5	0	0	111.6	F45 M49	F45-E47 HydrophobicContact CD1-CG 4.14Å; F45-E47 HydrophobicContact CE1-CB 4.36Å; F45-E47 HydrophobicContact CE1-CG 3.27Å; F45-E47 HydrophobicContact CZ-CG 3.88Å; E47-M49 VanDerWaalsContact C-N 3.31Å; E47-M49 PolarHBondContact O-N 3.44Å
48	D	61.2	Low	75.4	Confident	150 Å²	150	68.3 Å²	68.3	80%	0.802	37%	0.371	S	S	*	.			trans	-84	65.4	-176.5	-61.5	-42	0	0	0	113
49	M	69.5	Low	75.3	Confident	53 Å²	53	72.9 Å²	72.9	26%	0.261	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-95.7	117.1	176.2	-64.6	-63	-76.1	0	0	111.5	T34 N38 S46 E47	T34-M49 HydrophobicContact CG2-CE 3.23Å; N38-M49 WeakPolarHBondContact ND2-CE 3.16Å; N38-M49 PolarHBondContact ND2-SD 3.12Å; S46-M49 WeakPolarHBondContact O-CG 3.5Å; E47-M49 VanDerWaalsContact C-N 3.31Å; E47-M49 PolarHBondContact O-N 3.44Å
50	I	66.9	Low	75.1	Confident	146 Å²	146	72.8 Å²	72.8	75%	0.749	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-81.9	140.3	173.6	-58.4	175.3	0	0	0	109.4	T52	I50-T52 PolarHBondContact O-N 3.03Å
51	P	63.8	Low	74.9	Confident	43 Å²	43	77 Å²	77	28%	0.279	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-53.8	130.5	174.9	-29.1	37.3	0	0	0	113.4	Y30 V53	Y30-P51 HydrophobicContact CD1-CG 4.26Å; Y30-P51 HydrophobicContact CE1-CG 3.37Å; P51-V53 PolarHBondContact O-N 2.71Å
52	T	70.9	Confident	74.7	Confident	26 Å²	26	78.3 Å²	78.3	16%	0.16	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-60.9	126.6	175.9	-53.4	0	0	0	0	111.5	T34 I50 D71	T34-T52 PolarHBondContact OG1-OG1 3.26Å; I50-T52 PolarHBondContact O-N 3.03Å; T52-D71 PolarHBondContact OG1-OD2 2.85Å; T52-D71 VanDerWaalsContact OG1-OD2 3.04Å
53	V	75.8	Confident	74.8	Confident	107 Å²	107	78.6 Å²	78.6	65%	0.648	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-91.2	117.8	170.2	179.5	0	0	0	0	108.1	P51 F55 F78	P51-V53 PolarHBondContact O-N 2.71Å; V53-F55 PolarHBondContact O-N 3.22Å; V53-F78 HydrophobicContact CG1-CZ 3.9Å
54	G	81.3	Confident	75.5	Confident	12 Å²	12	80.4 Å²	80.4	12%	0.124	43%	0.428	C	S	.	.	S	Bend	trans	80.1	-110.7	178	0	0	0	0	0	112.9	G73 F78	G54-G73 PolarHBondContact O-N 2.8Å; G54-F78 VanDerWaalsContact N-CZ 3.3Å
55	F	83.4	Confident	76.5	Confident	104 Å²	104	74.3 Å²	74.3	46%	0.456	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.3	-177.6	63	-86.5	0	0	0	111	V53 W70 D71 I72 M81 Y85	V53-F55 PolarHBondContact O-N 3.22Å; F55-W70 HydrophobicContact CD2-CE3 4.28Å; F55-W70 HydrophobicContact CD2-CZ3 4.03Å; F55-W70 HydrophobicContact CE2-CZ3 4.27Å; F55-D71 CarbonylContact C-O 3.59Å; F55-D71 WeakPolarHBondContact CA-O 3.39Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; F55-M81 HydrophobicContact CD1-SD 4.45Å; F55-Y85 HydrophobicContact CB-CE2 4.41Å; F55-Y85 HydrophobicContact CD1-CE2 4.19Å; F55-Y85 AromaticContact CD1-CZ 3.91Å; F55-Y85 VanDerWaalsContact CD1-OH 3.28Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.4Å; F55-Y85 HydrophobicContact CD2-CE1 4.14Å; F55-Y85 AromaticContact CD2-CZ 3.91Å; F55-Y85 WeakPolarHBondContact CD2-OH 3.37Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y85 HydrophobicContact CG-CE1 4.33Å; F55-Y85 HydrophobicContact CG-CE2 4.22Å; F55-Y85 AromaticContact CG-CZ 3.76Å; F55-Y85 WeakPolarHBondContact CG-OH 3.4Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.23Å
56	N	87	Confident	77.7	Confident	68 Å²	68	71.9 Å²	71.9	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.2	172.1	-168.3	-6.6	0	0	0	109.8	D71	N56-D71 PolarHBondContact N-O 2.82Å; N56-D71 PolarHBondContact O-N 2.87Å
57	M	89.1	Confident	79	Confident	72 Å²	72	69.4 Å²	69.4	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.4	171.4	-177.2	-128.2	55.7	0	0	109.2	K59 I69 W70	M57-K59 HydrophobicContact CE-CG 3.99Å; M57-K59 HydrophobicContact SD-CG 4.2Å; M57-I69 WeakPolarHBondContact CA-O 3.48Å; M57-W70 HydrophobicContact CB-CD2 4.28Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 3.96Å; M57-W70 HydrophobicContact CB-CZ2 4.46Å; M57-W70 HydrophobicContact CB-CZ3 3.6Å; M57-W70 HydrophobicContact CG-CD2 4.35Å; M57-W70 HydrophobicContact CG-CE3 4.3Å; M57-W70 HydrophobicContact CG-CH2 4.16Å; M57-W70 HydrophobicContact CG-CZ2 4.2Å; M57-W70 HydrophobicContact CG-CZ3 4.23Å
58	R	89.2	Confident	80.6	Confident	69 Å²	69	64.1 Å²	64.1	26%	0.26	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.9	170	-62.5	-146.4	-168.1	142.4	-15.5	111.3	V37 N38 I69	V37-R58 HydrophobicContact CG1-CB 3.82Å; V37-R58 HydrophobicContact CG1-CG 3.97Å; N38-R58 VanDerWaalsContact OD1-CZ 3.26Å; N38-R58 PolarHBondContact OD1-NH1 2.96Å; N38-R58 PolarHBondContact OD1-NH2 2.82Å; R58-I69 PolarHBondContact N-O 2.84Å; R58-I69 PolarHBondContact O-N 3.25Å
59	K	88.1	Confident	82.2	Confident	123 Å²	123	57 Å²	57	54%	0.535	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.7	173	-63.3	-169.4	180	-180	0	109.2	M57 I67 K68	M57-K59 HydrophobicContact CE-CG 3.99Å; M57-K59 HydrophobicContact SD-CG 4.2Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 WeakPolarHBondContact CA-O 3.11Å; K59-K68 HydrophobicContact CD-CG 4.47Å; K59-K68 HydrophobicContact CG-CG 4.21Å
60	V	86.7	Confident	83.4	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.8	178.5	-179.7	0	0	0	0	108.1	I40 A41 K62 I67 I69	I40-V60 HydrophobicContact CD1-CG2 4.45Å; I40-V60 HydrophobicContact CG1-CG1 4.5Å; I40-V60 HydrophobicContact CG1-CG2 4.21Å; I40-V60 WeakPolarHBondContact O-CG1 3.34Å; A41-V60 HydrophobicContact CB-CG2 3.69Å; V60-K62 HydrophobicContact CG1-CG 4.19Å; V60-I67 PolarHBondContact N-O 3.13Å; V60-I67 PolarHBondContact O-N 2.81Å; V60-I69 HydrophobicContact CG2-CD1 4.13Å
61	T	84	Confident	84.6	Confident	91 Å²	91	50.6 Å²	50.6	56%	0.558	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.4	176.8	-52.3	0	0	0	0	109.2	V65	T61-V65 WeakPolarHBondContact CA-O 3.46Å
62	K	78.3	Confident	85.9	Confident	78 Å²	78	48.6 Å²	48.6	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.3	174	-70	-66.8	-176.9	-177.7	0	108.8	I40 V60 N64 V65 I178	I40-K62 WeakPolarHBondContact O-CE 3.25Å; I40-K62 PolarHBondContact O-NZ 3.36Å; V60-K62 HydrophobicContact CG1-CG 4.19Å; K62-N64 PolarHBondContact O-N 3.02Å; K62-V65 PolarHBondContact N-O 3.06Å; K62-V65 PolarHBondContact O-N 3.38Å; K62-V65 VanDerWaalsContact O-N 3.1Å; K62-I178 HydrophobicContact CB-CD1 4.45Å
63	G	78.7	Confident	86.7	Confident	71 Å²	71	47.4 Å²	47.4	73%	0.732	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-124.7	-170.4	0	0	0	0	0	110.5
64	N	83.1	Confident	87.4	Confident	65 Å²	65	42.6 Å²	42.6	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.7	179.5	-37.8	-40.6	0	0	0	112.8	S14 W17 K18 E19 K62	S14-N64 WeakPolarHBondContact CA-ND2 3.43Å; S14-N64 WeakPolarHBondContact CB-ND2 3.45Å; S14-N64 WeakPolarHBondContact CB-OD1 3.11Å; S14-N64 PolarHBondContact O-OD1 2.88Å; W17-N64 WeakPolarHBondContact O-CB 3.42Å; K18-N64 CarbonylContact C-O 3.51Å; K18-N64 VanDerWaalsContact CA-O 3.26Å; K18-N64 WeakPolarHBondContact CA-O 3.37Å; E19-N64 PolarHBondContact N-O 2.75Å; K62-N64 PolarHBondContact O-N 3.02Å
65	V	84.1	Confident	87.8	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.8	-179.6	-172.3	0	0	0	0	109.8	E19 M21 T61 K62 I67 I178	E19-V65 HydrophobicContact CB-CG2 4.31Å; E19-V65 CarbonylContact O-C 3.58Å; E19-V65 WeakPolarHBondContact O-CA 3.34Å; M21-V65 HydrophobicContact CB-CG1 4.41Å; M21-V65 HydrophobicContact CG-CG1 3.82Å; M21-V65 HydrophobicContact SD-CG1 3.88Å; T61-V65 WeakPolarHBondContact CA-O 3.46Å; K62-V65 PolarHBondContact N-O 3.06Å; K62-V65 PolarHBondContact O-N 3.38Å; K62-V65 VanDerWaalsContact O-N 3.1Å; V65-I67 HydrophobicContact CG1-CG1 4.08Å; V65-I178 HydrophobicContact CB-CG1 4.44Å; V65-I178 HydrophobicContact CG2-CG1 4.31Å; V65-I178 HydrophobicContact CG2-CG2 3.99Å
66	T	89.3	Confident	88.1	Confident	20 Å²	20	43.1 Å²	43.1	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.6	168.2	-58	0	0	0	0	108.7	E19 E20 M21	E19-T66 PolarHBondContact O-N 2.63Å; E20-T66 WeakPolarHBondContact CA-O 3.37Å; M21-T66 PolarHBondContact N-O 3.1Å
67	I	90.8	Very high	88.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.1	-179.1	-45.5	-174	0	0	0	108.4	M21 L23 K59 V60 V65 I69 L174	M21-I67 HydrophobicContact CE-CG2 4.46Å; M21-I67 HydrophobicContact CG-CB 3.95Å; M21-I67 HydrophobicContact CG-CG1 3.78Å; M21-I67 HydrophobicContact CG-CG2 3.79Å; M21-I67 CarbonylContact O-C 3.43Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CB 4.28Å; M21-I67 HydrophobicContact SD-CD1 3.86Å; M21-I67 HydrophobicContact SD-CG1 3.64Å; M21-I67 HydrophobicContact SD-CG2 3.97Å; L23-I67 HydrophobicContact CD2-CG2 3.45Å; L23-I67 VanDerWaalsContact CD2-CG2 3.45Å; L23-I67 HydrophobicContact CG-CG2 3.89Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 WeakPolarHBondContact CA-O 3.11Å; V60-I67 PolarHBondContact N-O 3.13Å; V60-I67 PolarHBondContact O-N 2.81Å; V65-I67 HydrophobicContact CG1-CG1 4.08Å; I67-I69 HydrophobicContact CB-CG1 4.36Å; I67-I69 HydrophobicContact CG2-CD1 3.92Å; I67-I69 HydrophobicContact CG2-CG1 3.56Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å
68	K	92.4	Very high	88.4	Confident	33 Å²	33	45.4 Å²	45.4	14%	0.143	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.2	166.9	-52.5	-175.6	-160.5	147.8	0	108.4	E20 M21 E22 L23 K59	E20-K68 WeakPolarHBondContact OE2-CE 3.45Å; E20-K68 IonicContact OE2-NZ 3.34Å; E20-K68 PolarHBondContact OE2-NZ 3.01Å; M21-K68 PolarHBondContact O-N 3Å; E22-K68 WeakPolarHBondContact CA-O 3.22Å; E22-K68 HydrophobicContact CG-CB 4.15Å; E22-K68 HydrophobicContact CG-CD 4.08Å; E22-K68 HydrophobicContact CG-CG 4.39Å; E22-K68 WeakPolarHBondContact OE1-CD 3.32Å; E22-K68 IonicContact OE1-NZ 3.72Å; E22-K68 PolarHBondContact OE1-NZ 3.34Å; L23-K68 PolarHBondContact N-O 3.38Å; K59-K68 HydrophobicContact CD-CG 4.47Å; K59-K68 HydrophobicContact CG-CG 4.21Å
69	I	94.6	Very high	88.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118	-172.7	-56	-180	0	0	0	108.5	L23 L25 V37 I40 M57 R58 V60 I67	L23-I69 HydrophobicContact CD1-CB 4.12Å; L23-I69 HydrophobicContact CD1-CD1 4.45Å; L23-I69 HydrophobicContact CD1-CG1 3.85Å; L23-I69 HydrophobicContact CD1-CG2 3.69Å; L23-I69 HydrophobicContact CD2-CG1 4.37Å; L23-I69 HydrophobicContact CG-CG1 3.99Å; L23-I69 WeakPolarHBondContact O-CA 3.49Å; L25-I69 HydrophobicContact CB-CG2 4.23Å; V37-I69 HydrophobicContact CG2-CG2 3.81Å; I40-I69 HydrophobicContact CD1-CD1 3.19Å; I40-I69 HydrophobicContact CG1-CD1 4.36Å; M57-I69 WeakPolarHBondContact CA-O 3.48Å; R58-I69 PolarHBondContact N-O 2.84Å; R58-I69 PolarHBondContact O-N 3.25Å; V60-I69 HydrophobicContact CG2-CD1 4.13Å; I67-I69 HydrophobicContact CB-CG1 4.36Å; I67-I69 HydrophobicContact CG2-CD1 3.92Å; I67-I69 HydrophobicContact CG2-CG1 3.56Å
70	W	94.2	Very high	88.6	Confident	63 Å²	63	43.8 Å²	43.8	24%	0.239	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	103.6	169.2	-62.4	102.2	0	0	0	109.4	L23 T24 L25 F55 M57 I72 Y85	L23-W70 PolarHBondContact O-N 3.17Å; T24-W70 HydrophobicContact CG2-CB 4.37Å; L25-W70 PolarHBondContact N-O 3.31Å; F55-W70 HydrophobicContact CD2-CE3 4.28Å; F55-W70 HydrophobicContact CD2-CZ3 4.03Å; F55-W70 HydrophobicContact CE2-CZ3 4.27Å; M57-W70 HydrophobicContact CB-CD2 4.28Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 3.96Å; M57-W70 HydrophobicContact CB-CZ2 4.46Å; M57-W70 HydrophobicContact CB-CZ3 3.6Å; M57-W70 HydrophobicContact CG-CD2 4.35Å; M57-W70 HydrophobicContact CG-CE3 4.3Å; M57-W70 HydrophobicContact CG-CH2 4.16Å; M57-W70 HydrophobicContact CG-CZ2 4.2Å; M57-W70 HydrophobicContact CG-CZ3 4.23Å; W70-I72 HydrophobicContact CB-CD1 4.07Å; W70-Y85 HydrophobicContact CB-CD1 4.4Å; W70-Y85 AromaticContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.72Å; W70-Y85 HydrophobicContact CE3-CD1 3.72Å; W70-Y85 AromaticContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CG-CD1 4.1Å; W70-Y85 HydrophobicContact CH2-CE1 4.37Å; W70-Y85 HydrophobicContact CZ3-CD1 4.26Å; W70-Y85 AromaticContact CZ3-CE1 3.73Å; W70-Y85 HydrophobicContact CZ3-CE1 3.73Å
71	D	92	Very high	88.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.011	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.4	171.2	179	29.7	0	0	0	109.2	K33 T34 V37 T52 F55 N56	K33-D71 WeakPolarHBondContact CB-OD1 3.46Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 WeakPolarHBondContact CG2-OD2 3.06Å; T34-D71 PolarHBondContact OG1-OD2 2.8Å; V37-D71 HydrophobicContact CG2-CB 4.36Å; T52-D71 PolarHBondContact OG1-OD2 2.85Å; T52-D71 VanDerWaalsContact OG1-OD2 3.04Å; F55-D71 CarbonylContact C-O 3.59Å; F55-D71 WeakPolarHBondContact CA-O 3.39Å; N56-D71 PolarHBondContact N-O 2.82Å; N56-D71 PolarHBondContact O-N 2.87Å
72	I	91.4	Very high	89.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.5	-175.8	-46.9	-59.8	0	0	0	110.8	T24 L25 V26 K33 F55 W70 G74 M81 W82 Y85	T24-I72 HydrophobicContact CG2-CG1 4.05Å; L25-I72 PolarHBondContact O-N 2.98Å; V26-I72 HydrophobicContact CG1-CB 4.15Å; V26-I72 HydrophobicContact CG1-CG1 4.17Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; W70-I72 HydrophobicContact CB-CD1 4.07Å; I72-G74 PolarHBondContact O-N 2.83Å; I72-M81 HydrophobicContact CG2-CB 4.42Å; I72-M81 HydrophobicContact CG2-CE 4.26Å; I72-W82 VanDerWaalsContact CG2-CD1 3.49Å; I72-Y85 HydrophobicContact CD1-CD1 4.06Å; I72-Y85 HydrophobicContact CD1-CD2 3.74Å; I72-Y85 HydrophobicContact CD1-CE2 4.32Å; I72-Y85 HydrophobicContact CD1-CG 3.6Å; I72-Y85 HydrophobicContact CG1-CG 4.43Å
73	G	88.2	Confident	90.2	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	22%	0.216	C	C	.	.			trans	-55	135.7	176.4	0	0	0	0	0	112.7	G54 F78 W82	G54-G73 PolarHBondContact O-N 2.8Å; G73-F78 WeakPolarHBondContact O-CB 3.45Å; G73-W82 PolarHBondContact O-NE1 3.47Å; G73-W82 VanDerWaalsContact O-NE1 3.11Å
74	G	89.8	Confident	90.9	Very high	5 Å²	5	45 Å²	45	5%	0.052	22%	0.215	C	C	.	.			trans	-90.4	-3.8	-177.8	0	0	0	0	0	115.6	G27 Q29 I72 R79	G27-G74 VanDerWaalsContact O-CA 3.29Å; G27-G74 WeakPolarHBondContact O-CA 3.33Å; Q29-G74 PolarHBondContact N-O 2.91Å; I72-G74 PolarHBondContact O-N 2.83Å; G74-R79 PolarHBondContact O-NE 3.46Å; G74-R79 PolarHBondContact O-NH2 3.33Å
75	Q	89.8	Confident	91.5	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	21%	0.205	C	C	.	.	S	Bend	trans	-66.9	145.6	176.9	-75.5	170.4	13	0	0	110.5	R77 F78	Q75-R77 HydrophobicContact CB-CG 4.16Å; Q75-R77 PolarHBondContact O-N 2.97Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.25Å; Q75-F78 HydrophobicContact CB-CD2 3.9Å; Q75-F78 HydrophobicContact CB-CE2 4.33Å; Q75-F78 PolarHBondContact O-N 2.81Å
76	P	90.6	Very high	92.1	Very high	87 Å²	87	43.1 Å²	43.1	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-47.5	-43	179.8	-30.3	35.6	0	0	0	114.1	F78 R79	P76-F78 PolarHBondContact O-N 2.96Å; P76-R79 PolarHBondContact O-N 3.45Å; P76-R79 VanDerWaalsContact O-N 3.11Å
77	R	91.1	Very high	92.4	Very high	162 Å²	162	48.2 Å²	48.2	61%	0.611	22%	0.219	S	C	*	.	H	α-helix	trans	-59.7	-18.4	179	67	175.9	173.2	172.4	0.6	115.4	Q75	Q75-R77 HydrophobicContact CB-CG 4.16Å; Q75-R77 PolarHBondContact O-N 2.97Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.25Å
78	F	89.8	Confident	92.4	Very high	26 Å²	26	49.8 Å²	49.8	11%	0.114	24%	0.235	C	C	.	.	H	α-helix	trans	-104.5	-8.5	-179	-62.2	-45.5	0	0	0	113.4	V53 G54 G73 Q75 P76 S80 M81	V53-F78 HydrophobicContact CG1-CZ 3.9Å; G54-F78 VanDerWaalsContact N-CZ 3.3Å; G73-F78 WeakPolarHBondContact O-CB 3.45Å; Q75-F78 HydrophobicContact CB-CD2 3.9Å; Q75-F78 HydrophobicContact CB-CE2 4.33Å; Q75-F78 PolarHBondContact O-N 2.81Å; P76-F78 PolarHBondContact O-N 2.96Å; F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.88Å; F78-M81 HydrophobicContact CB-CE 3.55Å; F78-M81 HydrophobicContact CD1-CE 3.49Å; F78-M81 VanDerWaalsContact CD1-CE 3.49Å; F78-M81 HydrophobicContact CG-CE 3.81Å; F78-M81 WeakPolarHBondContact O-CB 3.46Å; F78-M81 PolarHBondContact O-N 3.1Å
79	R	91.3	Very high	92.6	Very high	56 Å²	56	48.7 Å²	48.7	21%	0.211	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-28.5	-175.1	-61.8	-171.9	-172.6	155.6	3.5	113.4	G74 P76 M81 W82 E110	G74-R79 PolarHBondContact O-NE 3.46Å; G74-R79 PolarHBondContact O-NH2 3.33Å; P76-R79 PolarHBondContact O-N 3.45Å; P76-R79 VanDerWaalsContact O-N 3.11Å; R79-M81 PolarHBondContact O-N 3.3Å; R79-M81 VanDerWaalsContact O-N 3.14Å; R79-W82 HydrophobicContact CB-CD2 4.3Å; R79-W82 HydrophobicContact CG-CD2 4.37Å; R79-W82 HydrophobicContact CG-CH2 4.17Å; R79-W82 HydrophobicContact CG-CZ2 3.74Å; R79-W82 VanDerWaalsContact O-CB 3.29Å; R79-W82 WeakPolarHBondContact O-CB 3.35Å; R79-W82 PolarHBondContact O-N 3.07Å; R79-E110 VanDerWaalsContact CD-CD 3.49Å; R79-E110 WeakPolarHBondContact CD-OE1 3.45Å; R79-E110 WeakPolarHBondContact CD-OE2 3.45Å; R79-E110 IonicContact CZ-OE1 3.57Å; R79-E110 IonicContact NE-OE1 3.84Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 3.19Å
80	S	90.4	Very high	92.6	Very high	102 Å²	102	49 Å²	49	71%	0.713	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-22.1	172.5	57.9	0	0	0	0	113.4	F78	F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.88Å
81	M	92	Very high	92.8	Very high	42 Å²	42	46 Å²	46	21%	0.207	22%	0.222	C	C	.	.	H	α-helix	trans	-81	-20	176.2	-59.5	-172.3	-62.7	0	0	113	F55 I72 F78 R79 E83 R84 Y85	F55-M81 HydrophobicContact CD1-SD 4.45Å; I72-M81 HydrophobicContact CG2-CB 4.42Å; I72-M81 HydrophobicContact CG2-CE 4.26Å; F78-M81 HydrophobicContact CB-CE 3.55Å; F78-M81 HydrophobicContact CD1-CE 3.49Å; F78-M81 VanDerWaalsContact CD1-CE 3.49Å; F78-M81 HydrophobicContact CG-CE 3.81Å; F78-M81 WeakPolarHBondContact O-CB 3.46Å; F78-M81 PolarHBondContact O-N 3.1Å; R79-M81 PolarHBondContact O-N 3.3Å; R79-M81 VanDerWaalsContact O-N 3.14Å; M81-E83 VanDerWaalsContact C-N 3.34Å; M81-E83 PolarHBondContact O-N 2.9Å; M81-R84 PolarHBondContact O-N 3.32Å; M81-R84 VanDerWaalsContact O-N 3.1Å; M81-Y85 HydrophobicContact CB-CD2 4.01Å; M81-Y85 HydrophobicContact CB-CE2 4.14Å; M81-Y85 WeakPolarHBondContact O-CD2 3.43Å; M81-Y85 PolarHBondContact O-N 3.2Å; M81-Y85 VanDerWaalsContact O-N 3.08Å; M81-Y85 HydrophobicContact SD-CE2 4.48Å
82	W	96	Very high	93.1	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.011	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-48.6	-174	-67.7	7.7	0	0	0	111.4	V26 G27 I72 G73 R79 R84 Y85 C86 Y94 E110 L114	V26-W82 HydrophobicContact CB-CD2 4.05Å; V26-W82 HydrophobicContact CB-CE3 4.27Å; V26-W82 HydrophobicContact CB-CG 4.33Å; V26-W82 HydrophobicContact CG1-CB 4.05Å; V26-W82 HydrophobicContact CG1-CD2 3.97Å; V26-W82 HydrophobicContact CG1-CG 3.72Å; G27-W82 WeakPolarHBondContact O-CZ2 3.26Å; I72-W82 VanDerWaalsContact CG2-CD1 3.49Å; G73-W82 PolarHBondContact O-NE1 3.47Å; G73-W82 VanDerWaalsContact O-NE1 3.11Å; R79-W82 HydrophobicContact CB-CD2 4.3Å; R79-W82 HydrophobicContact CG-CD2 4.37Å; R79-W82 HydrophobicContact CG-CH2 4.17Å; R79-W82 HydrophobicContact CG-CZ2 3.74Å; R79-W82 VanDerWaalsContact O-CB 3.29Å; R79-W82 WeakPolarHBondContact O-CB 3.35Å; R79-W82 PolarHBondContact O-N 3.07Å; W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 2.87Å; W82-Y85 PolarHBondContact O-N 2.92Å; W82-C86 WeakPolarHBondContact O-CB 3.27Å; W82-C86 PolarHBondContact O-N 2.91Å; W82-C86 PolarHBondContact O-SG 3.15Å; W82-Y94 AromaticContact CZ3-CE2 3.98Å; W82-Y94 HydrophobicContact CZ3-CE2 3.98Å; W82-E110 HydrophobicContact CH2-CB 4.4Å; W82-E110 HydrophobicContact CZ3-CB 4Å; W82-L114 HydrophobicContact CB-CD1 3.87Å; W82-L114 HydrophobicContact CE3-CD2 4.26Å
83	E	95.3	Very high	93.4	Very high	40 Å²	40	45.9 Å²	45.9	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-48.2	177.1	-175.3	-170.3	142.3	0	0	111.3	M81 Y85 C86 R87 L114 K117 Q119	M81-E83 VanDerWaalsContact C-N 3.34Å; M81-E83 PolarHBondContact O-N 2.9Å; E83-Y85 VanDerWaalsContact C-N 3.33Å; E83-Y85 PolarHBondContact O-N 3.34Å; E83-C86 PolarHBondContact O-N 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 IonicContact OE1-CZ 2.68Å; E83-R87 IonicContact OE1-NE 3.17Å; E83-R87 IonicContact OE1-NH2 3.8Å; E83-R87 PolarHBondContact OE1-NH2 3.13Å; E83-L114 HydrophobicContact CB-CD1 4.47Å; E83-K117 HydrophobicContact CB-CG 4.43Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CD 4.48Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 VanDerWaalsContact OE2-CD 3.32Å; E83-K117 WeakPolarHBondContact OE2-CD 3.44Å; E83-K117 WeakPolarHBondContact OE2-CE 3.03Å; E83-Q119 PolarHBondContact OE1-OE1 3.1Å
84	R	93.9	Very high	93.9	Very high	185 Å²	185	45.8 Å²	45.8	70%	0.698	22%	0.22	S	C	*	.	H	α-helix	trans	-59.9	-42.3	-178.1	-177.4	179.1	176.2	-177	-0.5	112.2	M81 W82	M81-R84 PolarHBondContact O-N 3.32Å; M81-R84 VanDerWaalsContact O-N 3.1Å; W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 2.87Å
85	Y	95.2	Very high	94.3	Very high	36 Å²	36	45.5 Å²	45.5	14%	0.141	22%	0.218	C	C	.	.	H	α-helix	trans	-83.9	-16.5	-178.1	-75.9	-82.2	0	0	0	113.5	T24 F55 W70 I72 M81 W82 E83 V89	T24-Y85 PolarHBondContact OG1-O 3.42Å; F55-Y85 HydrophobicContact CB-CE2 4.41Å; F55-Y85 HydrophobicContact CD1-CE2 4.19Å; F55-Y85 AromaticContact CD1-CZ 3.91Å; F55-Y85 VanDerWaalsContact CD1-OH 3.28Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.4Å; F55-Y85 HydrophobicContact CD2-CE1 4.14Å; F55-Y85 AromaticContact CD2-CZ 3.91Å; F55-Y85 WeakPolarHBondContact CD2-OH 3.37Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y85 HydrophobicContact CG-CE1 4.33Å; F55-Y85 HydrophobicContact CG-CE2 4.22Å; F55-Y85 AromaticContact CG-CZ 3.76Å; F55-Y85 WeakPolarHBondContact CG-OH 3.4Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.23Å; W70-Y85 HydrophobicContact CB-CD1 4.4Å; W70-Y85 AromaticContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.72Å; W70-Y85 HydrophobicContact CE3-CD1 3.72Å; W70-Y85 AromaticContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CG-CD1 4.1Å; W70-Y85 HydrophobicContact CH2-CE1 4.37Å; W70-Y85 HydrophobicContact CZ3-CD1 4.26Å; W70-Y85 AromaticContact CZ3-CE1 3.73Å; W70-Y85 HydrophobicContact CZ3-CE1 3.73Å; I72-Y85 HydrophobicContact CD1-CD1 4.06Å; I72-Y85 HydrophobicContact CD1-CD2 3.74Å; I72-Y85 HydrophobicContact CD1-CE2 4.32Å; I72-Y85 HydrophobicContact CD1-CG 3.6Å; I72-Y85 HydrophobicContact CG1-CG 4.43Å; M81-Y85 HydrophobicContact CB-CD2 4.01Å; M81-Y85 HydrophobicContact CB-CE2 4.14Å; M81-Y85 WeakPolarHBondContact O-CD2 3.43Å; M81-Y85 PolarHBondContact O-N 3.2Å; M81-Y85 VanDerWaalsContact O-N 3.08Å; M81-Y85 HydrophobicContact SD-CE2 4.48Å; W82-Y85 PolarHBondContact O-N 2.92Å; E83-Y85 VanDerWaalsContact C-N 3.33Å; E83-Y85 PolarHBondContact O-N 3.34Å; Y85-V89 WeakPolarHBondContact O-CG1 3.42Å
86	C	96.7	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-83.1	-13.1	173.8	-66.8	0	0	0	0	112.9	T24 W82 E83 G88 V89 I92 L120 I123	T24-C86 VanDerWaalsContact CG2-SG 3.51Å; W82-C86 WeakPolarHBondContact O-CB 3.27Å; W82-C86 PolarHBondContact O-N 2.91Å; W82-C86 PolarHBondContact O-SG 3.15Å; E83-C86 PolarHBondContact O-N 3.39Å; C86-G88 PolarHBondContact O-N 3.02Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.46Å; C86-I92 HydrophobicContact CB-CD1 3.87Å; C86-I92 HydrophobicContact CB-CG1 4.07Å; C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.69Å; C86-L120 HydrophobicContact CB-CD2 3.55Å; C86-L120 HydrophobicContact CB-CG 4.3Å; C86-I123 VanDerWaalsContact O-CD1 3.27Å; C86-I123 WeakPolarHBondContact O-CD1 3.43Å
87	R	94.8	Very high	95.1	Very high	126 Å²	126	40.7 Å²	40.7	48%	0.475	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	129	-179.2	-74.1	174.9	-167.8	-179.2	1	111	E83 V89 Q119 L120	E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 IonicContact OE1-CZ 2.68Å; E83-R87 IonicContact OE1-NE 3.17Å; E83-R87 IonicContact OE1-NH2 3.8Å; E83-R87 PolarHBondContact OE1-NH2 3.13Å; R87-V89 VanDerWaalsContact C-N 3.26Å; R87-V89 PolarHBondContact O-N 3.05Å; R87-Q119 HydrophobicContact CG-CB 3.99Å; R87-L120 HydrophobicContact CB-CD2 4.48Å; R87-L120 HydrophobicContact CG-CD2 3.84Å
88	G	91.3	Very high	95.5	Very high	34 Å²	34	33 Å²	33	35%	0.351	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	27.1	174.2	0	0	0	0	0	113.9	C86 R184	C86-G88 PolarHBondContact O-N 3.02Å; G88-R184 PolarHBondContact O-NH1 3.38Å; G88-R184 PolarHBondContact O-NH2 3.38Å
89	V	95.8	Very high	95.9	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.067	16%	0.164	C	C	.	.			trans	-87.3	158.7	167.7	-57.6	0	0	0	0	110.4	E22 T24 Y85 C86 R87 A91 I92 I123	E22-V89 WeakPolarHBondContact O-CB 3.41Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.36Å; Y85-V89 WeakPolarHBondContact O-CG1 3.42Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 VanDerWaalsContact C-N 3.26Å; R87-V89 PolarHBondContact O-N 3.05Å; V89-A91 VanDerWaalsContact CG2-O 3.23Å; V89-A91 WeakPolarHBondContact CG2-O 3.31Å; V89-I92 HydrophobicContact CG2-CG1 3.99Å; V89-I123 HydrophobicContact CG2-CG2 3.92Å
90	N	95.9	Very high	96.1	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.032	16%	0.162	C	C	.	.	S	Bend	trans	-69.1	-35.2	173.1	-67.2	85.3	0	0	0	111.9	M21 E22 P124	M21-N90 WeakPolarHBondContact CA-OD1 3.09Å; M21-N90 HydrophobicContact CB-CB 4.43Å; E22-N90 PolarHBondContact N-OD1 3.28Å; E22-N90 WeakPolarHBondContact O-CB 3.1Å; E22-N90 PolarHBondContact O-N 2.85Å; E22-N90 PolarHBondContact O-OD1 2.91Å; N90-P124 WeakPolarHBondContact O-CD 3.34Å
91	A	97.3	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150.6	177.9	0	0	0	0	0	111.5	L23 T24 V89 P124 W176 L177	L23-A91 WeakPolarHBondContact CA-O 3.49Å; L23-A91 WeakPolarHBondContact CB-O 3.45Å; T24-A91 PolarHBondContact N-O 2.88Å; V89-A91 VanDerWaalsContact CG2-O 3.23Å; V89-A91 WeakPolarHBondContact CG2-O 3.31Å; A91-P124 WeakPolarHBondContact CA-O 3.35Å; A91-W176 HydrophobicContact CB-CH2 4.29Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; A91-L177 HydrophobicContact CB-CD2 4.38Å
92	I	98.4	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.6	168.5	-62.7	168.3	0	0	0	107.7	V26 C86 V89 L115 L120 I123 P124 V125 L126	V26-I92 HydrophobicContact CG2-CG2 3.79Å; C86-I92 HydrophobicContact CB-CD1 3.87Å; C86-I92 HydrophobicContact CB-CG1 4.07Å; V89-I92 HydrophobicContact CG2-CG1 3.99Å; I92-L115 HydrophobicContact CD1-CD2 4.4Å; I92-L120 HydrophobicContact CD1-CD1 4.26Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.13Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; I92-P124 PolarHBondContact N-O 3.5Å; I92-V125 HydrophobicContact CB-CG2 4.33Å; I92-V125 WeakPolarHBondContact O-CA 3.18Å; I92-L126 PolarHBondContact O-N 2.82Å
93	V	98.4	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.4	169.9	-176.3	0	0	0	0	107.9	L23 T24 L25 V26 L126 L128 L177	L23-V93 HydrophobicContact CD1-CG2 4.08Å; L23-V93 HydrophobicContact CD2-CG2 4.35Å; T24-V93 PolarHBondContact O-N 3.35Å; L25-V93 WeakPolarHBondContact CA-O 3.43Å; L25-V93 HydrophobicContact CD1-CB 3.76Å; L25-V93 HydrophobicContact CD1-CG1 3.5Å; L25-V93 VanDerWaalsContact CD1-CG1 3.5Å; V26-V93 PolarHBondContact N-O 3.03Å; V93-L126 CarbonylContact C-O 3.58Å; V93-L126 WeakPolarHBondContact CA-O 3.28Å; V93-L128 HydrophobicContact CG1-CD1 3.47Å; V93-L128 VanDerWaalsContact CG1-CD1 3.47Å; V93-L128 HydrophobicContact CG1-CG 3.94Å; V93-L177 HydrophobicContact CG2-CD2 3.82Å
94	Y	98.8	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.3	179.9	-166.4	-84.9	0	0	0	110.5	V26 W82 V96 S107 L111 L126 V127 L128 M147	V26-Y94 HydrophobicContact CG2-CD2 3.93Å; V26-Y94 WeakPolarHBondContact O-CA 3.47Å; W82-Y94 AromaticContact CZ3-CE2 3.98Å; W82-Y94 HydrophobicContact CZ3-CE2 3.98Å; Y94-V96 HydrophobicContact CD1-CG2 3.8Å; Y94-V96 HydrophobicContact CE1-CG2 3.78Å; Y94-S107 VanDerWaalsContact CE1-OG 3.29Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.38Å; Y94-S107 PolarHBondContact OH-O 2.85Å; Y94-S107 PolarHBondContact OH-OG 3.46Å; Y94-L111 HydrophobicContact CD1-CB 4.37Å; Y94-L111 HydrophobicContact CD1-CD1 4.27Å; Y94-L111 HydrophobicContact CD1-CD2 4.42Å; Y94-L111 HydrophobicContact CD2-CB 4.23Å; Y94-L111 HydrophobicContact CD2-CD1 3.6Å; Y94-L111 HydrophobicContact CD2-CG 4.46Å; Y94-L111 HydrophobicContact CE1-CB 4.03Å; Y94-L111 HydrophobicContact CE2-CB 3.86Å; Y94-L111 HydrophobicContact CE2-CD1 4.09Å; Y94-L111 HydrophobicContact CG-CB 4.48Å; Y94-L111 HydrophobicContact CG-CD1 3.71Å; Y94-L111 HydrophobicContact CG-CG 4.49Å; Y94-L126 PolarHBondContact N-O 3.36Å; Y94-V127 CarbonylContact O-C 3.56Å; Y94-V127 WeakPolarHBondContact O-CA 3.21Å; Y94-L128 PolarHBondContact O-N 3.09Å; Y94-M147 HydrophobicContact CD1-CE 4.34Å; Y94-M147 HydrophobicContact CE1-CE 3.93Å
95	M	98.6	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.9	-173.5	-171.1	71.6	67.5	0	0	111.8	L25 V26 S31 K33 F36 L128 N130 I162	L25-M95 HydrophobicContact CD1-CB 4.15Å; L25-M95 HydrophobicContact CD1-CE 3.99Å; V26-M95 PolarHBondContact O-N 3.36Å; S31-M95 VanDerWaalsContact CB-O 3.25Å; S31-M95 WeakPolarHBondContact CB-O 3.36Å; S31-M95 VanDerWaalsContact O-CG 3.31Å; S31-M95 WeakPolarHBondContact O-CG 3.5Å; S31-M95 WeakPolarHBondContact OG-CG 3.42Å; S31-M95 PolarHBondContact OG-O 2.63Å; K33-M95 HydrophobicContact CG-CB 3.69Å; K33-M95 HydrophobicContact CG-CG 4.09Å; F36-M95 HydrophobicContact CB-CE 3.56Å; F36-M95 HydrophobicContact CD1-CE 4.1Å; F36-M95 HydrophobicContact CD2-CE 4Å; F36-M95 HydrophobicContact CG-CE 3.62Å; M95-L128 HydrophobicContact CE-CB 4.12Å; M95-L128 HydrophobicContact CE-CD1 3.83Å; M95-L128 HydrophobicContact SD-CB 3.76Å; M95-N130 HydrophobicContact CG-CB 4.4Å; M95-N130 HydrophobicContact SD-CB 3.45Å; M95-N130 WeakPolarHBondContact SD-CB 3.29Å; M95-I162 HydrophobicContact CE-CD1 4.34Å; M95-I162 HydrophobicContact SD-CD1 4.34Å
96	V	98.6	Very high	97	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.8	176.6	-173.4	0	0	0	0	109.3	Y94 A98 V104 V127 L128 N130 L143 M147	Y94-V96 HydrophobicContact CD1-CG2 3.8Å; Y94-V96 HydrophobicContact CE1-CG2 3.78Å; V96-A98 PolarHBondContact O-N 2.92Å; V96-V104 HydrophobicContact CG1-CG2 4.45Å; V96-V127 HydrophobicContact CG2-CG1 4.11Å; V96-L128 PolarHBondContact N-O 3.34Å; V96-N130 PolarHBondContact O-N 3.02Å; V96-L143 HydrophobicContact CG1-CD2 4.17Å; V96-M147 HydrophobicContact CG1-SD 4.47Å; V96-M147 HydrophobicContact CG2-CE 3.73Å; V96-M147 HydrophobicContact CG2-SD 4.17Å
97	D	98.3	Very high	97.1	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	106.4	164.9	-172.8	-22.8	0	0	0	108.5	A99 D100 K131	D97-A99 PolarHBondContact O-N 2.91Å; D97-A99 PolarHBondContact OD1-N 3.04Å; D97-D100 HydrophobicContact CB-CB 3.88Å; D97-D100 PolarHBondContact O-N 3.38Å; D97-D100 PolarHBondContact OD1-N 3.06Å; D97-D100 VanDerWaalsContact OD1-N 3.17Å; D97-K131 WeakPolarHBondContact OD1-CD 3.29Å; D97-K131 WeakPolarHBondContact OD2-CE 3.3Å; D97-K131 IonicContact OD2-NZ 2.82Å; D97-K131 PolarHBondContact OD2-NZ 3.21Å
98	A	98.3	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-71.2	-20.5	-177.3	0	0	0	0	0	112.5	V96 N130 A137 L138 L143	V96-A98 PolarHBondContact O-N 2.92Å; A98-N130 VanDerWaalsContact CB-O 3.28Å; A98-N130 WeakPolarHBondContact CB-O 3.33Å; A98-N130 PolarHBondContact N-O 3.36Å; A98-A137 HydrophobicContact CB-CB 4.26Å; A98-A137 CarbonylContact O-C 3.58Å; A98-A137 WeakPolarHBondContact O-CA 3.37Å; A98-L138 HydrophobicContact CB-CB 4.35Å; A98-L138 WeakPolarHBondContact O-CG 3.39Å; A98-L138 PolarHBondContact O-N 2.99Å; A98-L143 HydrophobicContact CB-CD1 4.28Å
99	A	97.8	Very high	97.6	Very high	25 Å²	25	38.2 Å²	38.2	21%	0.207	19%	0.187	C	C	.	.	S	Bend	trans	-85.5	-24.9	178.6	0	0	0	0	0	112.6	D97 R101 K131 L134 A137	D97-A99 PolarHBondContact O-N 2.91Å; D97-A99 PolarHBondContact OD1-N 3.04Å; A99-R101 PolarHBondContact O-N 2.86Å; A99-R101 VanDerWaalsContact O-N 3.15Å; A99-K131 HydrophobicContact CB-CB 4.49Å; A99-L134 HydrophobicContact CB-CB 3.85Å; A99-L134 HydrophobicContact CB-CD1 3.76Å; A99-L134 HydrophobicContact CB-CG 4.42Å; A99-A137 HydrophobicContact CB-CB 4.43Å
100	D	97.1	Very high	97.7	Very high	35 Å²	35	39.9 Å²	39.9	19%	0.187	19%	0.194	C	C	.	.			trans	-87.7	73.8	178.3	-167.9	-15.7	0	0	0	112.3	D97 E102 K103 V104	D97-D100 HydrophobicContact CB-CB 3.88Å; D97-D100 PolarHBondContact O-N 3.38Å; D97-D100 PolarHBondContact OD1-N 3.06Å; D97-D100 VanDerWaalsContact OD1-N 3.17Å; D100-E102 PolarHBondContact O-N 3.31Å; D100-K103 PolarHBondContact O-N 2.95Å; D100-K103 VanDerWaalsContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.31Å; D100-K103 WeakPolarHBondContact OD2-CD 3.43Å; D100-K103 VanDerWaalsContact OD2-CE 3.3Å; D100-K103 WeakPolarHBondContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CG 3.27Å; D100-K103 IonicContact OD2-NZ 3.26Å; D100-K103 PolarHBondContact OD2-NZ 3.13Å; D100-V104 PolarHBondContact O-N 3.01Å
101	R	95.8	Very high	97.9	Very high	114 Å²	114	39.6 Å²	39.6	43%	0.43	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.3	-175.9	-64.6	-176.3	178.4	-162.1	-3.4	114.1	A99 K103 V104 N136 L138	A99-R101 PolarHBondContact O-N 2.86Å; A99-R101 VanDerWaalsContact O-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.31Å; R101-V104 PolarHBondContact O-N 3.08Å; R101-N136 VanDerWaalsContact CZ-O 3.28Å; R101-N136 PolarHBondContact NE-O 3.29Å; R101-N136 PolarHBondContact NH2-O 3.4Å; R101-L138 HydrophobicContact CG-CD2 4.23Å; R101-L138 HydrophobicContact CG-CG 4.27Å
102	E	96.6	Very high	97.9	Very high	181 Å²	181	41.5 Å²	41.5	85%	0.846	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.1	179.9	-63.5	-177.5	175.2	0	0	111.5	D100	D100-E102 PolarHBondContact O-N 3.31Å
103	K	96.7	Very high	97.9	Very high	94 Å²	94	45.6 Å²	45.6	41%	0.409	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.5	-179.5	-64.9	-169.3	-166.1	118.6	0	114.3	L28 D100 R101 E105 A106 S107	L28-K103 HydrophobicContact CD1-CB 4.03Å; D100-K103 PolarHBondContact O-N 2.95Å; D100-K103 VanDerWaalsContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.31Å; D100-K103 WeakPolarHBondContact OD2-CD 3.43Å; D100-K103 VanDerWaalsContact OD2-CE 3.3Å; D100-K103 WeakPolarHBondContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CG 3.27Å; D100-K103 IonicContact OD2-NZ 3.26Å; D100-K103 PolarHBondContact OD2-NZ 3.13Å; R101-K103 VanDerWaalsContact C-N 3.31Å; K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 2.56Å; K103-A106 PolarHBondContact O-N 3.26Å; K103-S107 WeakPolarHBondContact O-CB 3.48Å; K103-S107 PolarHBondContact O-N 3.02Å
104	V	97.4	Very high	97.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-42.2	-178.8	173.1	0	0	0	0	111.5	V96 D100 R101 S107 R108 L138 K146 M147	V96-V104 HydrophobicContact CG1-CG2 4.45Å; D100-V104 PolarHBondContact O-N 3.01Å; R101-V104 PolarHBondContact O-N 3.08Å; V104-S107 WeakPolarHBondContact O-CB 3.38Å; V104-S107 PolarHBondContact O-N 2.83Å; V104-R108 PolarHBondContact O-N 3.21Å; V104-L138 HydrophobicContact CG1-CD1 4.38Å; V104-L138 HydrophobicContact CG2-CD1 3.76Å; V104-K146 HydrophobicContact CG1-CB 3.76Å; V104-K146 HydrophobicContact CG1-CD 4.39Å; V104-M147 HydrophobicContact CG1-CG 4.43Å; V104-M147 HydrophobicContact CG1-SD 3.88Å
105	E	97.9	Very high	97.9	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-64.9	-44.7	178.2	-179.6	168.3	-154.7	0	0	112.2	K103 S107 R108 N109	K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 2.56Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.33Å; E105-R108 WeakPolarHBondContact O-CB 3.38Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 2.65Å; E105-R108 PolarHBondContact OE1-NH2 3.21Å; E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 2.98Å; E105-N109 PolarHBondContact O-OD1 3.08Å
106	A	97.7	Very high	97.8	Very high	46 Å²	46	52.4 Å²	52.4	38%	0.38	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-38.9	174.7	0	0	0	0	0	111.2	L28 K103 N109 E110	L28-A106 HydrophobicContact CD1-CB 4.41Å; K103-A106 PolarHBondContact O-N 3.26Å; A106-N109 PolarHBondContact O-N 2.86Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å; A106-E110 PolarHBondContact O-N 2.84Å; A106-E110 VanDerWaalsContact O-N 3.16Å
107	S	98.2	Very high	97.7	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-42.2	176.7	-156.3	0	0	0	0	111.8	Y94 K103 V104 E105 N109 E110 L111	Y94-S107 VanDerWaalsContact CE1-OG 3.29Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.38Å; Y94-S107 PolarHBondContact OH-O 2.85Å; Y94-S107 PolarHBondContact OH-OG 3.46Å; K103-S107 WeakPolarHBondContact O-CB 3.48Å; K103-S107 PolarHBondContact O-N 3.02Å; V104-S107 WeakPolarHBondContact O-CB 3.38Å; V104-S107 PolarHBondContact O-N 2.83Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.33Å; S107-N109 PolarHBondContact O-N 2.87Å; S107-E110 PolarHBondContact O-N 2.86Å; S107-L111 PolarHBondContact O-N 3.07Å
108	R	98.6	Very high	97.6	Very high	71 Å²	71	59.6 Å²	59.6	27%	0.268	30%	0.299	S	S	.	.	H	α-helix	trans	-54.5	-53.4	173.2	178.1	-166.9	71.2	-172.8	-5.4	110.3	V104 E105 E110 L111 H112 K146 M147	V104-R108 PolarHBondContact O-N 3.21Å; E105-R108 WeakPolarHBondContact O-CB 3.38Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 2.65Å; E105-R108 PolarHBondContact OE1-NH2 3.21Å; R108-E110 VanDerWaalsContact C-N 3.25Å; R108-E110 PolarHBondContact O-N 2.97Å; R108-L111 WeakPolarHBondContact O-CB 3.31Å; R108-L111 PolarHBondContact O-N 2.83Å; R108-H112 PolarHBondContact O-CD2 3.1Å; R108-H112 VanDerWaalsContact O-CD2 3.22Å; R108-H112 PolarHBondContact O-N 3.29Å; R108-K146 WeakPolarHBondContact CD-O 3.35Å; R108-M147 HydrophobicContact CB-CE 4.35Å; R108-M147 HydrophobicContact CB-SD 3.97Å; R108-M147 WeakPolarHBondContact CG-O 3.33Å
109	N	98.3	Very high	97.5	Very high	68 Å²	68	64.2 Å²	64.2	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-39.5	-175.8	-61.6	-13	0	0	0	111.2	E105 A106 S107 N113	E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 2.98Å; E105-N109 PolarHBondContact O-OD1 3.08Å; A106-N109 PolarHBondContact O-N 2.86Å; S107-N109 PolarHBondContact O-N 2.87Å; N109-N113 VanDerWaalsContact O-CB 3.24Å; N109-N113 WeakPolarHBondContact O-CB 3.37Å; N109-N113 PolarHBondContact O-N 2.75Å; N109-N113 PolarHBondContact O-ND2 3.23Å
110	E	98.3	Very high	97.4	Very high	47 Å²	47	63 Å²	63	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-68.1	-35.9	175.3	-69.7	-68.5	174.9	0	0	113.6	L28 R79 W82 A106 S107 R108 L114	L28-E110 HydrophobicContact CD2-CG 4.14Å; R79-E110 VanDerWaalsContact CD-CD 3.49Å; R79-E110 WeakPolarHBondContact CD-OE1 3.45Å; R79-E110 WeakPolarHBondContact CD-OE2 3.45Å; R79-E110 IonicContact CZ-OE1 3.57Å; R79-E110 IonicContact NE-OE1 3.84Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 3.19Å; W82-E110 HydrophobicContact CH2-CB 4.4Å; W82-E110 HydrophobicContact CZ3-CB 4Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å; A106-E110 PolarHBondContact O-N 2.84Å; A106-E110 VanDerWaalsContact O-N 3.16Å; S107-E110 PolarHBondContact O-N 2.86Å; R108-E110 VanDerWaalsContact C-N 3.25Å; R108-E110 PolarHBondContact O-N 2.97Å; E110-L114 WeakPolarHBondContact O-CB 3.34Å; E110-L114 PolarHBondContact O-N 2.94Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111	L	98.6	Very high	97.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-53.7	172.6	174	61.9	0	0	0	110.4	Y94 S107 R108 N113 L114 L115 V125 V127 M147 L149 I152	Y94-L111 HydrophobicContact CD1-CB 4.37Å; Y94-L111 HydrophobicContact CD1-CD1 4.27Å; Y94-L111 HydrophobicContact CD1-CD2 4.42Å; Y94-L111 HydrophobicContact CD2-CB 4.23Å; Y94-L111 HydrophobicContact CD2-CD1 3.6Å; Y94-L111 HydrophobicContact CD2-CG 4.46Å; Y94-L111 HydrophobicContact CE1-CB 4.03Å; Y94-L111 HydrophobicContact CE2-CB 3.86Å; Y94-L111 HydrophobicContact CE2-CD1 4.09Å; Y94-L111 HydrophobicContact CG-CB 4.48Å; Y94-L111 HydrophobicContact CG-CD1 3.71Å; Y94-L111 HydrophobicContact CG-CG 4.49Å; S107-L111 PolarHBondContact O-N 3.07Å; R108-L111 WeakPolarHBondContact O-CB 3.31Å; R108-L111 PolarHBondContact O-N 2.83Å; L111-N113 PolarHBondContact O-N 2.87Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.08Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-L115 HydrophobicContact CD1-CD1 3.76Å; L111-L115 HydrophobicContact CD1-CD2 4.31Å; L111-L115 HydrophobicContact CD1-CG 3.91Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.34Å; L111-V125 HydrophobicContact CD1-CG1 4.44Å; L111-V127 HydrophobicContact CD2-CG2 4.18Å; L111-M147 HydrophobicContact CB-CE 4.25Å; L111-M147 HydrophobicContact CD2-CE 3.84Å; L111-L149 HydrophobicContact CD2-CD2 3.77Å; L111-I152 HydrophobicContact CD2-CD1 4.39Å
112	H	98.5	Very high	97.4	Very high	40 Å²	40	64.8 Å²	64.8	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-45.4	-178.5	-76	-102.6	0	0	0	111.2	R108 L114 L115 D116 M147 N148	R108-H112 PolarHBondContact O-CD2 3.1Å; R108-H112 VanDerWaalsContact O-CD2 3.22Å; R108-H112 PolarHBondContact O-N 3.29Å; H112-L114 PolarHBondContact O-N 3.26Å; H112-L115 PolarHBondContact O-N 2.86Å; H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.27Å; H112-M147 PolarHBondContact NE2-O 3.07Å; H112-N148 PolarHBondContact CE1-O 2.96Å
113	N	98	Very high	97.4	Very high	86 Å²	86	57 Å²	57	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-33.2	174.6	-73.7	-17.2	0	0	0	113.9	N109 L111 K117	N109-N113 VanDerWaalsContact O-CB 3.24Å; N109-N113 WeakPolarHBondContact O-CB 3.37Å; N109-N113 PolarHBondContact O-N 2.75Å; N109-N113 PolarHBondContact O-ND2 3.23Å; L111-N113 PolarHBondContact O-N 2.87Å; N113-K117 WeakPolarHBondContact O-CE 3.42Å
114	L	98.1	Very high	97.5	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-73.1	-42.7	175.6	179.3	66.7	0	0	0	110.8	V26 W82 E83 E110 L111 H112 D116 K117 L120	V26-L114 HydrophobicContact CG2-CD2 3.93Å; W82-L114 HydrophobicContact CB-CD1 3.87Å; W82-L114 HydrophobicContact CE3-CD2 4.26Å; E83-L114 HydrophobicContact CB-CD1 4.47Å; E110-L114 WeakPolarHBondContact O-CB 3.34Å; E110-L114 PolarHBondContact O-N 2.94Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.08Å; L111-L114 VanDerWaalsContact O-N 3.09Å; H112-L114 PolarHBondContact O-N 3.26Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 WeakPolarHBondContact O-CG 3.39Å; L114-K117 PolarHBondContact O-N 2.65Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.88Å; L114-L120 WeakPolarHBondContact O-CD1 3.26Å
115	L	98	Very high	97.6	Very high	11 Å²	11	53.3 Å²	53.3	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-75	-23	-176.9	-59.3	-175.2	0	0	0	113.1	I92 L111 H112 K117 V125 I152 R155	I92-L115 HydrophobicContact CD1-CD2 4.4Å; L111-L115 HydrophobicContact CD1-CD1 3.76Å; L111-L115 HydrophobicContact CD1-CD2 4.31Å; L111-L115 HydrophobicContact CD1-CG 3.91Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.34Å; H112-L115 PolarHBondContact O-N 2.86Å; L115-K117 PolarHBondContact O-N 3.35Å; L115-K117 VanDerWaalsContact O-N 3.15Å; L115-V125 HydrophobicContact CD1-CG2 4.25Å; L115-V125 HydrophobicContact CD2-CG2 3.69Å; L115-I152 HydrophobicContact CD1-CD1 3.56Å; L115-I152 HydrophobicContact CD1-CG1 4.16Å; L115-I152 HydrophobicContact CD1-CG2 4.07Å; L115-R155 PolarHBondContact O-NH2 2.68Å; L115-R155 VanDerWaalsContact O-NH2 3.07Å
116	D	97.1	Very high	97.6	Very high	122 Å²	122	47.7 Å²	47.7	65%	0.652	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.7	171.2	-74.5	-13.6	0	0	0	113.4	H112 L114 P118	H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.27Å; L114-D116 VanDerWaalsContact C-N 3.32Å; D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.39Å
117	K	97.3	Very high	97.7	Very high	81 Å²	81	45.5 Å²	45.5	35%	0.352	24%	0.24	S	C	.	.			trans	-72.7	117.8	178.7	-57.9	-54.7	-177.3	-168.3	0	110.4	E83 N113 L114 L115 Q119 L120	E83-K117 HydrophobicContact CB-CG 4.43Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CD 4.48Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 VanDerWaalsContact OE2-CD 3.32Å; E83-K117 WeakPolarHBondContact OE2-CD 3.44Å; E83-K117 WeakPolarHBondContact OE2-CE 3.03Å; N113-K117 WeakPolarHBondContact O-CE 3.42Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 WeakPolarHBondContact O-CG 3.39Å; L114-K117 PolarHBondContact O-N 2.65Å; L115-K117 PolarHBondContact O-N 3.35Å; L115-K117 VanDerWaalsContact O-N 3.15Å; K117-Q119 PolarHBondContact O-N 2.92Å; K117-L120 HydrophobicContact CB-CD1 4.23Å; K117-L120 HydrophobicContact CB-CG 4.06Å; K117-L120 PolarHBondContact O-N 2.7Å
118	P	95.8	Very high	97.7	Very high	94 Å²	94	45.3 Å²	45.3	61%	0.61	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-58.4	-29.3	-177.6	-25.9	35.3	0	0	0	113.6	D116 L120 Q121	D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-L120 PolarHBondContact O-N 3.04Å; P118-Q121 WeakPolarHBondContact O-CB 3.43Å; P118-Q121 PolarHBondContact O-N 2.94Å
119	Q	95.4	Very high	97.7	Very high	98 Å²	98	42 Å²	42	46%	0.458	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-69.8	-11.7	179.7	-54.8	81.7	4.2	0	0	113.3	E83 R87 K117	E83-Q119 PolarHBondContact OE1-OE1 3.1Å; R87-Q119 HydrophobicContact CG-CB 3.99Å; K117-Q119 PolarHBondContact O-N 2.92Å
120	L	97.3	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-107.5	6.1	179.1	-53.1	-171.4	0	0	0	112.5	C86 R87 I92 L114 K117 P118 G122 I123 R155	C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.69Å; C86-L120 HydrophobicContact CB-CD2 3.55Å; C86-L120 HydrophobicContact CB-CG 4.3Å; R87-L120 HydrophobicContact CB-CD2 4.48Å; R87-L120 HydrophobicContact CG-CD2 3.84Å; I92-L120 HydrophobicContact CD1-CD1 4.26Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.88Å; L114-L120 WeakPolarHBondContact O-CD1 3.26Å; K117-L120 HydrophobicContact CB-CD1 4.23Å; K117-L120 HydrophobicContact CB-CG 4.06Å; K117-L120 PolarHBondContact O-N 2.7Å; P118-L120 PolarHBondContact O-N 3.04Å; L120-G122 PolarHBondContact O-N 2.91Å; L120-I123 HydrophobicContact CB-CD1 4.34Å; L120-I123 HydrophobicContact CD2-CD1 4.14Å; L120-I123 WeakPolarHBondContact O-CG1 3.45Å; L120-I123 PolarHBondContact O-N 2.84Å; L120-R155 PolarHBondContact O-NH1 3.2Å
121	Q	96.1	Very high	97.7	Very high	142 Å²	142	39.2 Å²	39.2	66%	0.664	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	136.4	-177.3	-172.7	177.1	7.4	0	0	111.5	P118 I123	P118-Q121 WeakPolarHBondContact O-CB 3.43Å; P118-Q121 PolarHBondContact O-N 2.94Å; Q121-I123 PolarHBondContact O-N 3.08Å; Q121-I123 VanDerWaalsContact O-N 3.13Å
122	G	95.7	Very high	97.6	Very high	43 Å²	43	44.8 Å²	44.8	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-6.5	176.1	0	0	0	0	0	116	L120 P124	L120-G122 PolarHBondContact O-N 2.91Å; G122-P124 WeakPolarHBondContact O-CD 3.39Å
123	I	97.6	Very high	97.5	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	24%	0.237	C	C	.	.			trans	-68.5	123.2	176.2	-57.4	179	0	0	0	109	C86 V89 I92 L120 Q121 R155	C86-I123 VanDerWaalsContact O-CD1 3.27Å; C86-I123 WeakPolarHBondContact O-CD1 3.43Å; V89-I123 HydrophobicContact CG2-CG2 3.92Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.13Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; L120-I123 HydrophobicContact CB-CD1 4.34Å; L120-I123 HydrophobicContact CD2-CD1 4.14Å; L120-I123 WeakPolarHBondContact O-CG1 3.45Å; L120-I123 PolarHBondContact O-N 2.84Å; Q121-I123 PolarHBondContact O-N 3.08Å; Q121-I123 VanDerWaalsContact O-N 3.13Å; I123-R155 WeakPolarHBondContact O-CD 3.36Å; I123-R155 PolarHBondContact O-NH1 2.96Å
124	P	98.2	Very high	97.5	Very high	20 Å²	20	44.9 Å²	44.9	13%	0.13	23%	0.233	C	C	.	.			trans	-57.5	143.5	177.7	-25.9	35	0	0	0	112.9	N90 A91 I92 G122 E156 W176	N90-P124 WeakPolarHBondContact O-CD 3.34Å; A91-P124 WeakPolarHBondContact CA-O 3.35Å; I92-P124 PolarHBondContact N-O 3.5Å; G122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-E156 WeakPolarHBondContact CA-O 3.49Å; P124-E156 HydrophobicContact CB-CB 4.3Å; P124-W176 HydrophobicContact CB-CH2 3.83Å; P124-W176 HydrophobicContact CB-CZ2 4.34Å
125	V	98.6	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.6	-178.3	-178.6	0	0	0	0	110.8	I92 L111 L115 V127 E156 I157 C158	I92-V125 HydrophobicContact CB-CG2 4.33Å; I92-V125 WeakPolarHBondContact O-CA 3.18Å; L111-V125 HydrophobicContact CD1-CG1 4.44Å; L115-V125 HydrophobicContact CD1-CG2 4.25Å; L115-V125 HydrophobicContact CD2-CG2 3.69Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V125-E156 PolarHBondContact N-O 2.9Å; V125-I157 HydrophobicContact CB-CD1 4.36Å; V125-I157 HydrophobicContact CB-CG1 4.15Å; V125-I157 HydrophobicContact CG1-CD1 4.31Å; V125-I157 HydrophobicContact CG1-CG1 4.35Å; V125-I157 VanDerWaalsContact O-CA 3.32Å; V125-I157 WeakPolarHBondContact O-CA 3.45Å; V125-C158 PolarHBondContact O-N 3.34Å
126	L	98.6	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.7	168.5	-178	62.3	0	0	0	109.9	I92 V93 Y94 L128 C158 Y160 T173 W176 L177	I92-L126 PolarHBondContact O-N 2.82Å; V93-L126 CarbonylContact C-O 3.58Å; V93-L126 WeakPolarHBondContact CA-O 3.28Å; Y94-L126 PolarHBondContact N-O 3.36Å; L126-L128 HydrophobicContact CD1-CD2 4.22Å; L126-L128 HydrophobicContact CD2-CD2 3.89Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 3.78Å; L126-L128 HydrophobicContact CG-CG 4.19Å; L126-C158 HydrophobicContact CD1-CB 3.84Å; L126-Y160 HydrophobicContact CD1-CD2 3.88Å; L126-Y160 HydrophobicContact CD1-CE2 4.05Å; L126-Y160 HydrophobicContact CD1-CG 4.47Å; L126-T173 HydrophobicContact CD2-CG2 3.91Å; L126-W176 HydrophobicContact CB-CD2 4.43Å; L126-W176 HydrophobicContact CB-CE3 3.88Å; L126-W176 HydrophobicContact CB-CH2 3.98Å; L126-W176 HydrophobicContact CB-CZ3 3.64Å; L126-W176 HydrophobicContact CD1-CD2 4.23Å; L126-W176 HydrophobicContact CD1-CE3 4.43Å; L126-W176 HydrophobicContact CD2-CD2 4.18Å; L126-W176 HydrophobicContact CD2-CE3 3.72Å; L126-W176 HydrophobicContact CD2-CZ3 4.3Å; L126-W176 HydrophobicContact CG-CE3 4.23Å; L126-W176 HydrophobicContact CG-CZ3 4.48Å; L126-L177 HydrophobicContact CD2-CD2 4.42Å; L126-L177 HydrophobicContact CD2-CG 4.38Å
127	V	98.8	Very high	97	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.1	175	-177.5	0	0	0	0	109.2	Y94 V96 L111 V125 L149 I157 C158 C159 Y160	Y94-V127 CarbonylContact O-C 3.56Å; Y94-V127 WeakPolarHBondContact O-CA 3.21Å; V96-V127 HydrophobicContact CG2-CG1 4.11Å; L111-V127 HydrophobicContact CD2-CG2 4.18Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V127-L149 HydrophobicContact CB-CD1 4.16Å; V127-L149 HydrophobicContact CG1-CD1 4.39Å; V127-L149 HydrophobicContact CG2-CD1 4Å; V127-L149 HydrophobicContact CG2-CD2 4.06Å; V127-I157 HydrophobicContact CG2-CD1 4.26Å; V127-I157 HydrophobicContact CG2-CG1 4.39Å; V127-C158 PolarHBondContact N-O 2.88Å; V127-C159 HydrophobicContact CB-CB 4.27Å; V127-C159 CarbonylContact O-C 3.59Å; V127-C159 VanDerWaalsContact O-CA 3.24Å; V127-C159 WeakPolarHBondContact O-CA 3.19Å; V127-Y160 PolarHBondContact O-N 3.41Å
128	L	98.8	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.1	178.4	-61.6	-178.9	0	0	0	109.9	F36 V93 Y94 M95 V96 L126 N130 Y160 I162 T173	F36-L128 HydrophobicContact CD2-CD1 4.42Å; F36-L128 HydrophobicContact CE2-CD1 3.96Å; F36-L128 HydrophobicContact CZ-CD1 4.01Å; V93-L128 HydrophobicContact CG1-CD1 3.47Å; V93-L128 VanDerWaalsContact CG1-CD1 3.47Å; V93-L128 HydrophobicContact CG1-CG 3.94Å; Y94-L128 PolarHBondContact O-N 3.09Å; M95-L128 HydrophobicContact CE-CB 4.12Å; M95-L128 HydrophobicContact CE-CD1 3.83Å; M95-L128 HydrophobicContact SD-CB 3.76Å; V96-L128 PolarHBondContact N-O 3.34Å; L126-L128 HydrophobicContact CD1-CD2 4.22Å; L126-L128 HydrophobicContact CD2-CD2 3.89Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 3.78Å; L126-L128 HydrophobicContact CG-CG 4.19Å; L128-N130 PolarHBondContact O-N 3.2Å; L128-Y160 WeakPolarHBondContact CA-O 3.33Å; L128-Y160 HydrophobicContact CD2-CD2 4.44Å; L128-I162 HydrophobicContact CB-CD1 4.06Å; L128-I162 HydrophobicContact CB-CG1 4.28Å; L128-I162 HydrophobicContact CD1-CD1 3.99Å; L128-I162 HydrophobicContact CD2-CG2 4.24Å; L128-I162 HydrophobicContact CG-CD1 4.45Å; L128-T173 HydrophobicContact CD1-CG2 3.76Å; L128-T173 HydrophobicContact CD2-CG2 3.99Å
129	G	98.6	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	95.4	168.2	0	0	0	0	0	110.3	Y160 S161 I162	G129-Y160 PolarHBondContact N-O 3.39Å; G129-S161 CarbonylContact O-C 3.51Å; G129-S161 WeakPolarHBondContact O-CA 3.33Å; G129-I162 PolarHBondContact O-N 3.03Å
130	N	98.5	Very high	97.1	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	166.2	-176.1	-175.2	38.7	0	0	0	112.7	S31 M95 V96 A98 L128 I162 C164	S31-N130 PolarHBondContact O-ND2 3.37Å; M95-N130 HydrophobicContact CG-CB 4.4Å; M95-N130 HydrophobicContact SD-CB 3.45Å; M95-N130 WeakPolarHBondContact SD-CB 3.29Å; V96-N130 PolarHBondContact O-N 3.02Å; A98-N130 VanDerWaalsContact CB-O 3.28Å; A98-N130 WeakPolarHBondContact CB-O 3.33Å; A98-N130 PolarHBondContact N-O 3.36Å; L128-N130 PolarHBondContact O-N 3.2Å; N130-I162 CarbonylContact C-O 3.54Å; N130-I162 WeakPolarHBondContact CA-O 3.34Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 4.05Å; N130-C164 PolarHBondContact OD1-N 3.27Å; N130-C164 PolarHBondContact OD1-SG 3.39Å
131	K	97.8	Very high	97.1	Very high	52 Å²	52	52 Å²	52	23%	0.226	27%	0.271	C	S	.	.			trans	68.8	34.1	-177	-43.7	-171.5	-167.7	172.5	0	113.5	Y30 D97 A99 D133 L134 A137 I162	Y30-K131 WeakPolarHBondContact O-CE 3.41Å; Y30-K131 PolarHBondContact O-NZ 3.32Å; D97-K131 WeakPolarHBondContact OD1-CD 3.29Å; D97-K131 WeakPolarHBondContact OD2-CE 3.3Å; D97-K131 IonicContact OD2-NZ 2.82Å; D97-K131 PolarHBondContact OD2-NZ 3.21Å; A99-K131 HydrophobicContact CB-CB 4.49Å; K131-D133 WeakPolarHBondContact CA-OD1 3.42Å; K131-D133 PolarHBondContact O-N 2.85Å; K131-D133 VanDerWaalsContact O-N 3.13Å; K131-L134 HydrophobicContact CB-CD1 3.87Å; K131-L134 HydrophobicContact CB-CG 4.17Å; K131-L134 HydrophobicContact CD-CD1 3.95Å; K131-L134 WeakPolarHBondContact O-CB 3.36Å; K131-L134 PolarHBondContact O-N 3.37Å; K131-A137 WeakPolarHBondContact O-CB 3.44Å; K131-I162 PolarHBondContact N-O 2.88Å
132	R	97.3	Very high	97.2	Very high	117 Å²	117	48.5 Å²	48.5	44%	0.442	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.6	173.8	-172.3	-173.4	-176.6	-167	5	113.4	L134 S161 I162 D168 N169	R132-L134 PolarHBondContact O-N 3.41Å; R132-S161 WeakPolarHBondContact CD-OG 3.06Å; R132-S161 WeakPolarHBondContact CG-OG 3.29Å; R132-I162 VanDerWaalsContact CB-O 3.27Å; R132-I162 WeakPolarHBondContact CB-O 3.44Å; R132-I162 PolarHBondContact N-O 3.2Å; R132-I162 VanDerWaalsContact N-O 3.08Å; R132-D168 IonicContact CZ-OD2 2.64Å; R132-D168 IonicContact NE-OD2 2.83Å; R132-D168 IonicContact NH1-OD2 3.64Å; R132-D168 PolarHBondContact NH1-OD2 2.79Å; R132-N169 PolarHBondContact NH1-ND2 3.47Å
133	D	97	Very high	97.4	Very high	58 Å²	58	46.4 Å²	46.4	31%	0.31	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.9	175.4	54.2	-75.9	0	0	0	114	K131 S163 E166	K131-D133 WeakPolarHBondContact CA-OD1 3.42Å; K131-D133 PolarHBondContact O-N 2.85Å; K131-D133 VanDerWaalsContact O-N 3.13Å; D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.29Å; D133-S163 PolarHBondContact OD1-OG 3.15Å; D133-E166 HydrophobicContact CB-CG 3.8Å
134	L	97.2	Very high	97.4	Very high	71 Å²	71	48.7 Å²	48.7	37%	0.372	25%	0.245	S	C	.	.	S	Bend	trans	-83.6	145.6	-177.4	-64.3	-178.7	0	0	0	112.6	A99 K131 R132 N136 A137	A99-L134 HydrophobicContact CB-CB 3.85Å; A99-L134 HydrophobicContact CB-CD1 3.76Å; A99-L134 HydrophobicContact CB-CG 4.42Å; K131-L134 HydrophobicContact CB-CD1 3.87Å; K131-L134 HydrophobicContact CB-CG 4.17Å; K131-L134 HydrophobicContact CD-CD1 3.95Å; K131-L134 WeakPolarHBondContact O-CB 3.36Å; K131-L134 PolarHBondContact O-N 3.37Å; R132-L134 PolarHBondContact O-N 3.41Å; L134-N136 PolarHBondContact O-N 2.85Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 3.49Å
135	P	91.6	Very high	97.4	Very high	106 Å²	106	54.7 Å²	54.7	69%	0.688	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	137.4	171.5	27.6	-34	0	0	0	109.4	A137	P135-A137 VanDerWaalsContact C-N 3.35Å
136	N	92.8	Very high	97.4	Very high	115 Å²	115	59.5 Å²	59.5	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	5.2	-176.3	-45.9	-58.7	0	0	0	116.6	R101 L134 L138	R101-N136 VanDerWaalsContact CZ-O 3.28Å; R101-N136 PolarHBondContact NE-O 3.29Å; R101-N136 PolarHBondContact NH2-O 3.4Å; L134-N136 PolarHBondContact O-N 2.85Å; N136-L138 PolarHBondContact O-N 3.04Å
137	A	97.7	Very high	97.4	Very high	21 Å²	21	59.5 Å²	59.5	17%	0.174	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-55.4	134.3	170.2	0	0	0	0	0	111.4	A98 A99 K131 L134 P135	A98-A137 HydrophobicContact CB-CB 4.26Å; A98-A137 CarbonylContact O-C 3.58Å; A98-A137 WeakPolarHBondContact O-CA 3.37Å; A99-A137 HydrophobicContact CB-CB 4.43Å; K131-A137 WeakPolarHBondContact O-CB 3.44Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 3.49Å; P135-A137 VanDerWaalsContact C-N 3.35Å
138	L	97.9	Very high	97.4	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.5	135.1	174.2	-63	172.8	0	0	0	109.8	A98 R101 V104 N136 Q142 L143 K146	A98-L138 HydrophobicContact CB-CB 4.35Å; A98-L138 WeakPolarHBondContact O-CG 3.39Å; A98-L138 PolarHBondContact O-N 2.99Å; R101-L138 HydrophobicContact CG-CD2 4.23Å; R101-L138 HydrophobicContact CG-CG 4.27Å; V104-L138 HydrophobicContact CG1-CD1 4.38Å; V104-L138 HydrophobicContact CG2-CD1 3.76Å; N136-L138 PolarHBondContact O-N 3.04Å; L138-Q142 HydrophobicContact CB-CB 4.13Å; L138-Q142 HydrophobicContact CD2-CB 3.99Å; L138-L143 HydrophobicContact CB-CD2 4.23Å; L138-L143 HydrophobicContact CB-CG 3.87Å; L138-L143 HydrophobicContact CD1-CD2 4.08Å; L138-L143 HydrophobicContact CD1-CG 4.46Å; L138-K146 HydrophobicContact CD1-CD 3.63Å; L138-K146 HydrophobicContact CD2-CD 3.96Å; L138-K146 HydrophobicContact CG-CD 4.48Å
139	D	96.9	Very high	97.3	Very high	75 Å²	75	63.3 Å²	63.3	40%	0.401	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-74	173.5	168.6	69.4	33.2	0	0	0	111.4	K141 Q142 L143	D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.39Å; D139-K141 WeakPolarHBondContact OD1-CB 3.15Å; D139-K141 PolarHBondContact OD1-N 3.36Å; D139-Q142 VanDerWaalsContact N-OE1 3.15Å; D139-Q142 PolarHBondContact O-N 3.17Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.45Å; D139-Q142 VanDerWaalsContact OD1-CG 3.29Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.45Å; D139-Q142 PolarHBondContact OD1-N 3.44Å; D139-L143 WeakPolarHBondContact O-CG 3.45Å; D139-L143 PolarHBondContact O-N 2.96Å
140	E	96.6	Very high	97.3	Very high	84 Å²	84	66.6 Å²	66.6	39%	0.393	34%	0.34	S	S	.	.	H	α-helix	trans	-57.7	-42.4	-178.9	-172.7	-178.5	103	0	0	112.6	L143 I144 C159	E140-L143 PolarHBondContact O-N 2.88Å; E140-I144 HydrophobicContact CG-CD1 4.09Å; E140-I144 VanDerWaalsContact O-CG1 3.29Å; E140-I144 WeakPolarHBondContact O-CG1 3.28Å; E140-I144 PolarHBondContact O-N 2.98Å; E140-C159 HydrophobicContact CG-CB 4.43Å; E140-C159 WeakPolarHBondContact CG-O 3.28Å
141	K	97.8	Very high	97.2	Very high	162 Å²	162	69.1 Å²	69.1	70%	0.704	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-44.3	-178.8	-176.1	-179.2	177.2	-176.5	0	111	D139 L143 I144 E145	D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.39Å; D139-K141 WeakPolarHBondContact OD1-CB 3.15Å; D139-K141 PolarHBondContact OD1-N 3.36Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.93Å; K141-I144 PolarHBondContact O-N 2.88Å; K141-E145 PolarHBondContact O-N 3.22Å; K141-E145 VanDerWaalsContact O-N 3.09Å
142	Q	98.2	Very high	97.3	Very high	69 Å²	69	67.3 Å²	67.3	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-36.2	177.2	-69.1	175.5	-32.9	0	0	112.1	L138 D139 K146	L138-Q142 HydrophobicContact CB-CB 4.13Å; L138-Q142 HydrophobicContact CD2-CB 3.99Å; D139-Q142 VanDerWaalsContact N-OE1 3.15Å; D139-Q142 PolarHBondContact O-N 3.17Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.45Å; D139-Q142 VanDerWaalsContact OD1-CG 3.29Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.45Å; D139-Q142 PolarHBondContact OD1-N 3.44Å; Q142-K146 VanDerWaalsContact O-CB 3.3Å; Q142-K146 WeakPolarHBondContact O-CB 3.49Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.09Å
143	L	98.1	Very high	97.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-46.8	173.6	-79.2	161.9	0	0	0	111.5	V96 A98 L138 D139 E140 K141 E145 K146 M147	V96-L143 HydrophobicContact CG1-CD2 4.17Å; A98-L143 HydrophobicContact CB-CD1 4.28Å; L138-L143 HydrophobicContact CB-CD2 4.23Å; L138-L143 HydrophobicContact CB-CG 3.87Å; L138-L143 HydrophobicContact CD1-CD2 4.08Å; L138-L143 HydrophobicContact CD1-CG 4.46Å; D139-L143 WeakPolarHBondContact O-CG 3.45Å; D139-L143 PolarHBondContact O-N 2.96Å; E140-L143 PolarHBondContact O-N 2.88Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.93Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 3.41Å; L143-K146 PolarHBondContact O-N 3.29Å; L143-M147 HydrophobicContact CD2-CG 4.49Å; L143-M147 WeakPolarHBondContact O-CB 3.41Å; L143-M147 VanDerWaalsContact O-CG 3.28Å; L143-M147 WeakPolarHBondContact O-CG 3.22Å; L143-M147 PolarHBondContact O-N 3.15Å
144	I	98.4	Very high	97.2	Very high	66 Å²	66	70.9 Å²	70.9	34%	0.338	38%	0.377	S	S	.	.	H	α-helix	trans	-55	-46.1	176.9	-71.6	163.1	0	0	0	110.8	E140 K141 N148 L149 C159	E140-I144 HydrophobicContact CG-CD1 4.09Å; E140-I144 VanDerWaalsContact O-CG1 3.29Å; E140-I144 WeakPolarHBondContact O-CG1 3.28Å; E140-I144 PolarHBondContact O-N 2.98Å; K141-I144 PolarHBondContact O-N 2.88Å; I144-N148 PolarHBondContact O-N 2.64Å; I144-L149 HydrophobicContact CG1-CD1 4.11Å; I144-L149 HydrophobicContact CG2-CB 4.44Å; I144-L149 PolarHBondContact O-N 3.23Å; I144-C159 HydrophobicContact CD1-CB 4.41Å; I144-C159 HydrophobicContact CG1-CB 3.93Å
145	E	98.3	Very high	97.2	Very high	146 Å²	146	68.6 Å²	68.6	68%	0.682	36%	0.363	S	S	*	.	H	α-helix	trans	-66.9	-54.7	178.9	-173.7	179.6	178.2	0	0	112	K141 L143 M147 N148	K141-E145 PolarHBondContact O-N 3.22Å; K141-E145 VanDerWaalsContact O-N 3.09Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 3.41Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.02Å; E145-N148 PolarHBondContact O-N 2.99Å
146	K	98.2	Very high	97.5	Very high	101 Å²	101	68.2 Å²	68.2	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-32	-175.2	-75.8	178.7	168.6	-74.9	0	113.5	V104 R108 L138 Q142 L143 N148	V104-K146 HydrophobicContact CG1-CB 3.76Å; V104-K146 HydrophobicContact CG1-CD 4.39Å; R108-K146 WeakPolarHBondContact CD-O 3.35Å; L138-K146 HydrophobicContact CD1-CD 3.63Å; L138-K146 HydrophobicContact CD2-CD 3.96Å; L138-K146 HydrophobicContact CG-CD 4.48Å; Q142-K146 VanDerWaalsContact O-CB 3.3Å; Q142-K146 WeakPolarHBondContact O-CB 3.49Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.09Å; L143-K146 PolarHBondContact O-N 3.29Å; K146-N148 VanDerWaalsContact C-N 3.26Å
147	M	98.5	Very high	97.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.4	174.8	-61.7	-69.9	-67.2	0	0	112.4	Y94 V96 V104 R108 L111 H112 L143 E145 L149	Y94-M147 HydrophobicContact CD1-CE 4.34Å; Y94-M147 HydrophobicContact CE1-CE 3.93Å; V96-M147 HydrophobicContact CG1-SD 4.47Å; V96-M147 HydrophobicContact CG2-CE 3.73Å; V96-M147 HydrophobicContact CG2-SD 4.17Å; V104-M147 HydrophobicContact CG1-CG 4.43Å; V104-M147 HydrophobicContact CG1-SD 3.88Å; R108-M147 HydrophobicContact CB-CE 4.35Å; R108-M147 HydrophobicContact CB-SD 3.97Å; R108-M147 WeakPolarHBondContact CG-O 3.33Å; L111-M147 HydrophobicContact CB-CE 4.25Å; L111-M147 HydrophobicContact CD2-CE 3.84Å; H112-M147 PolarHBondContact NE2-O 3.07Å; L143-M147 HydrophobicContact CD2-CG 4.49Å; L143-M147 WeakPolarHBondContact O-CB 3.41Å; L143-M147 VanDerWaalsContact O-CG 3.28Å; L143-M147 WeakPolarHBondContact O-CG 3.22Å; L143-M147 PolarHBondContact O-N 3.15Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.02Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.5Å; M147-L149 HydrophobicContact CB-CG 3.82Å; M147-L149 PolarHBondContact O-N 2.74Å
148	N	98.3	Very high	97.8	Very high	74 Å²	74	65.3 Å²	65.3	40%	0.396	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	46.7	-178.7	-168.2	30.7	0	0	0	112.5	H112 I144 E145 K146 A150 A151	H112-N148 PolarHBondContact CE1-O 2.96Å; I144-N148 PolarHBondContact O-N 2.64Å; E145-N148 PolarHBondContact O-N 2.99Å; K146-N148 VanDerWaalsContact C-N 3.26Å; N148-A150 VanDerWaalsContact C-N 3.26Å; N148-A150 PolarHBondContact O-N 3.11Å; N148-A151 WeakPolarHBondContact ND2-CB 3.25Å; N148-A151 PolarHBondContact O-N 3.36Å
149	L	98.4	Very high	97.8	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.037	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-69.4	-26.8	-173.6	-57.1	-173.2	0	0	0	112.2	L111 V127 I144 M147 A151 I152 I157 C159	L111-L149 HydrophobicContact CD2-CD2 3.77Å; V127-L149 HydrophobicContact CB-CD1 4.16Å; V127-L149 HydrophobicContact CG1-CD1 4.39Å; V127-L149 HydrophobicContact CG2-CD1 4Å; V127-L149 HydrophobicContact CG2-CD2 4.06Å; I144-L149 HydrophobicContact CG1-CD1 4.11Å; I144-L149 HydrophobicContact CG2-CB 4.44Å; I144-L149 PolarHBondContact O-N 3.23Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.5Å; M147-L149 HydrophobicContact CB-CG 3.82Å; M147-L149 PolarHBondContact O-N 2.74Å; L149-A151 PolarHBondContact O-N 3.34Å; L149-I152 HydrophobicContact CD2-CD1 4.28Å; L149-I152 PolarHBondContact O-N 2.82Å; L149-I152 VanDerWaalsContact O-N 3.08Å; L149-I157 HydrophobicContact CB-CD1 4.27Å; L149-I157 HydrophobicContact CD2-CD1 3.95Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; L149-C159 HydrophobicContact CD1-CB 3.74Å
150	A	97.3	Very high	97.9	Very high	68 Å²	68	64.3 Å²	64.3	56%	0.562	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-64	-20.8	177.8	0	0	0	0	0	113.9	N148 I152 Q153	N148-A150 VanDerWaalsContact C-N 3.26Å; N148-A150 PolarHBondContact O-N 3.11Å; A150-I152 VanDerWaalsContact C-N 3.29Å; A150-Q153 PolarHBondContact O-NE2 3.27Å
151	A	97.8	Very high	97.9	Very high	58 Å²	58	60.5 Å²	60.5	48%	0.479	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-76.1	-17.3	175.7	0	0	0	0	0	113.1	N148 L149 Q153	N148-A151 WeakPolarHBondContact ND2-CB 3.25Å; N148-A151 PolarHBondContact O-N 3.36Å; L149-A151 PolarHBondContact O-N 3.34Å; A151-Q153 PolarHBondContact O-N 3.37Å
152	I	98	Very high	98	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.077	28%	0.276	C	S	.	.			trans	-87.5	103.9	178.3	-60.6	159.4	0	0	0	107.7	L111 L115 L149 A150 R155 I157	L111-I152 HydrophobicContact CD2-CD1 4.39Å; L115-I152 HydrophobicContact CD1-CD1 3.56Å; L115-I152 HydrophobicContact CD1-CG1 4.16Å; L115-I152 HydrophobicContact CD1-CG2 4.07Å; L149-I152 HydrophobicContact CD2-CD1 4.28Å; L149-I152 PolarHBondContact O-N 2.82Å; L149-I152 VanDerWaalsContact O-N 3.08Å; A150-I152 VanDerWaalsContact C-N 3.29Å; I152-R155 HydrophobicContact CG2-CG 3.79Å; I152-I157 HydrophobicContact CB-CD1 4.19Å; I152-I157 HydrophobicContact CD1-CD1 3.53Å; I152-I157 HydrophobicContact CG1-CD1 4.47Å; I152-I157 HydrophobicContact CG2-CD1 4.19Å
153	Q	96.6	Very high	97.9	Very high	170 Å²	170	49.5 Å²	49.5	79%	0.794	26%	0.261	S	S	*	.			trans	-118.9	-3.4	-172.9	-60	-110.6	-31.7	0	0	113	A150 A151	A150-Q153 PolarHBondContact O-NE2 3.27Å; A151-Q153 PolarHBondContact O-N 3.37Å
154	D	96.4	Very high	97.8	Very high	80 Å²	80	49.6 Å²	49.6	43%	0.428	26%	0.261	S	S	.	.	S	Bend	trans	-90.1	1	-173.7	73.1	-41.2	0	0	0	113.9
155	R	97.6	Very high	97.6	Very high	23 Å²	23	50.8 Å²	50.8	9%	0.087	26%	0.264	C	S	.	.	S	Bend	trans	-159	164.1	-175.3	64.5	-165.9	69.2	-147.2	4.2	111.1	L115 L120 I123 I152 I157	L115-R155 PolarHBondContact O-NH2 2.68Å; L115-R155 VanDerWaalsContact O-NH2 3.07Å; L120-R155 PolarHBondContact O-NH1 3.2Å; I123-R155 WeakPolarHBondContact O-CD 3.36Å; I123-R155 PolarHBondContact O-NH1 2.96Å; I152-R155 HydrophobicContact CG2-CG 3.79Å; R155-I157 PolarHBondContact O-N 3.34Å
156	E	97.6	Very high	97.5	Very high	97 Å²	97	49.9 Å²	49.9	45%	0.453	26%	0.26	S	S	.	.			trans	-65.9	130.6	165.4	-178.5	175.6	162.2	0	0	110	P124 V125 W176 H180	P124-E156 WeakPolarHBondContact CA-O 3.49Å; P124-E156 HydrophobicContact CB-CB 4.3Å; V125-E156 PolarHBondContact N-O 2.9Å; E156-W176 HydrophobicContact CG-CZ2 4.44Å; E156-W176 PolarHBondContact OE1-NE1 3.36Å; E156-H180 IonicContact OE1-CE1 3.98Å; E156-H180 PolarHBondContact OE1-CE1 2.92Å; E156-H180 IonicContact OE1-NE2 3.14Å; E156-H180 PolarHBondContact OE1-NE2 3.46Å; E156-H180 IonicContact OE2-CE1 3.96Å; E156-H180 IonicContact OE2-NE2 2.85Å; E156-H180 PolarHBondContact OE2-NE2 3.1Å; E156-H180 VanDerWaalsContact OE2-NE2 3.14Å
157	I	98.1	Very high	97.4	Very high	46 Å²	46	50.3 Å²	50.3	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.9	173.6	-168.2	161.5	0	0	0	110.5	V125 V127 L149 I152 R155	V125-I157 HydrophobicContact CB-CD1 4.36Å; V125-I157 HydrophobicContact CB-CG1 4.15Å; V125-I157 HydrophobicContact CG1-CD1 4.31Å; V125-I157 HydrophobicContact CG1-CG1 4.35Å; V125-I157 VanDerWaalsContact O-CA 3.32Å; V125-I157 WeakPolarHBondContact O-CA 3.45Å; V127-I157 HydrophobicContact CG2-CD1 4.26Å; V127-I157 HydrophobicContact CG2-CG1 4.39Å; L149-I157 HydrophobicContact CB-CD1 4.27Å; L149-I157 HydrophobicContact CD2-CD1 3.95Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; I152-I157 HydrophobicContact CB-CD1 4.19Å; I152-I157 HydrophobicContact CD1-CD1 3.53Å; I152-I157 HydrophobicContact CG1-CD1 4.47Å; I152-I157 HydrophobicContact CG2-CD1 4.19Å; R155-I157 PolarHBondContact O-N 3.34Å
158	C	98.1	Very high	97.2	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153	176.2	-168.9	0	0	0	0	109.7	V125 L126 V127 W176	V125-C158 PolarHBondContact O-N 3.34Å; L126-C158 HydrophobicContact CD1-CB 3.84Å; V127-C158 PolarHBondContact N-O 2.88Å; C158-W176 HydrophobicContact CB-CZ2 4.3Å
159	C	98.6	Very high	97.2	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.1	177	-171.9	0	0	0	0	110	V127 E140 I144 L149	V127-C159 HydrophobicContact CB-CB 4.27Å; V127-C159 CarbonylContact O-C 3.59Å; V127-C159 VanDerWaalsContact O-CA 3.24Å; V127-C159 WeakPolarHBondContact O-CA 3.19Å; E140-C159 HydrophobicContact CG-CB 4.43Å; E140-C159 WeakPolarHBondContact CG-O 3.28Å; I144-C159 HydrophobicContact CD1-CB 4.41Å; I144-C159 HydrophobicContact CG1-CB 3.93Å; L149-C159 HydrophobicContact CD1-CB 3.74Å
160	Y	98.4	Very high	97	Very high	48 Å²	48	51.8 Å²	51.8	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.6	171	-63.3	-35.5	0	0	0	110.8	L126 V127 L128 G129 I172 W176	L126-Y160 HydrophobicContact CD1-CD2 3.88Å; L126-Y160 HydrophobicContact CD1-CE2 4.05Å; L126-Y160 HydrophobicContact CD1-CG 4.47Å; V127-Y160 PolarHBondContact O-N 3.41Å; L128-Y160 WeakPolarHBondContact CA-O 3.33Å; L128-Y160 HydrophobicContact CD2-CD2 4.44Å; G129-Y160 PolarHBondContact N-O 3.39Å; Y160-I172 HydrophobicContact CD1-CD1 4.25Å; Y160-I172 HydrophobicContact CD2-CD1 4.26Å; Y160-I172 HydrophobicContact CD2-CG1 4.28Å; Y160-I172 HydrophobicContact CE1-CD1 4.44Å; Y160-I172 HydrophobicContact CE2-CD1 4.42Å; Y160-I172 HydrophobicContact CE2-CG1 4.37Å; Y160-I172 HydrophobicContact CG-CD1 4.19Å; Y160-W176 HydrophobicContact CE2-CB 4.09Å; Y160-W176 HydrophobicContact CE2-CG 4.44Å
161	S	98.1	Very high	96.7	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124	167.3	-169.5	0	0	0	0	109.3	G129 R132 N169	G129-S161 CarbonylContact O-C 3.51Å; G129-S161 WeakPolarHBondContact O-CA 3.33Å; R132-S161 WeakPolarHBondContact CD-OG 3.06Å; R132-S161 WeakPolarHBondContact CG-OG 3.29Å; S161-N169 PolarHBondContact O-ND2 3.22Å
162	I	98.3	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.			trans	-130.6	161.4	-173.3	64.5	159.1	0	0	0	111.7	F36 M95 L128 G129 N130 K131 R132 D168 N169 I170	F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.24Å; M95-I162 HydrophobicContact CE-CD1 4.34Å; M95-I162 HydrophobicContact SD-CD1 4.34Å; L128-I162 HydrophobicContact CB-CD1 4.06Å; L128-I162 HydrophobicContact CB-CG1 4.28Å; L128-I162 HydrophobicContact CD1-CD1 3.99Å; L128-I162 HydrophobicContact CD2-CG2 4.24Å; L128-I162 HydrophobicContact CG-CD1 4.45Å; G129-I162 PolarHBondContact O-N 3.03Å; N130-I162 CarbonylContact C-O 3.54Å; N130-I162 WeakPolarHBondContact CA-O 3.34Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 4.05Å; K131-I162 PolarHBondContact N-O 2.88Å; R132-I162 VanDerWaalsContact CB-O 3.27Å; R132-I162 WeakPolarHBondContact CB-O 3.44Å; R132-I162 PolarHBondContact N-O 3.2Å; R132-I162 VanDerWaalsContact N-O 3.08Å; I162-D168 WeakPolarHBondContact CA-O 3.43Å; I162-N169 HydrophobicContact CB-CB 4.45Å; I162-N169 HydrophobicContact CG2-CB 3.76Å; I162-I170 HydrophobicContact CB-CD1 4.36Å; I162-I170 HydrophobicContact CD1-CD1 3.95Å
163	S	97.8	Very high	96.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-126	115.8	162.1	176.5	0	0	0	0	109.8	D133 K165 E166 K167 D168	D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.29Å; D133-S163 PolarHBondContact OD1-OG 3.15Å; S163-K165 PolarHBondContact O-N 3.15Å; S163-K165 PolarHBondContact OG-N 3.48Å; S163-E166 PolarHBondContact OG-N 3.44Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.29Å; S163-K167 PolarHBondContact O-N 3.21Å; S163-D168 PolarHBondContact N-O 3.01Å; S163-D168 VanDerWaalsContact N-O 3.1Å; S163-D168 PolarHBondContact O-N 2.82Å; S163-D168 VanDerWaalsContact O-N 3.07Å
164	C	95.9	Very high	96.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.8	169.8	-65.4	0	0	0	0	112.2	T35 V39 N130	T35-C164 HydrophobicContact CG2-CB 3.77Å; V39-C164 HydrophobicContact CG2-CB 4.32Å; V39-C164 WeakPolarHBondContact CG2-O 3.32Å; N130-C164 PolarHBondContact OD1-N 3.27Å; N130-C164 PolarHBondContact OD1-SG 3.39Å
165	K	94.6	Very high	96	Very high	91 Å²	91	46.8 Å²	46.8	40%	0.396	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-52.7	-178.1	-178.4	177.6	175.3	174	0	110.9	F45 S163 K167	F45-K165 HydrophobicContact CD1-CG 4.38Å; F45-K165 HydrophobicContact CE1-CB 4.49Å; F45-K165 HydrophobicContact CE1-CG 3.99Å; F45-K165 HydrophobicContact CE2-CB 4.25Å; F45-K165 HydrophobicContact CZ-CB 4.22Å; F45-K165 HydrophobicContact CZ-CG 4.15Å; S163-K165 PolarHBondContact O-N 3.15Å; S163-K165 PolarHBondContact OG-N 3.48Å; K165-K167 VanDerWaalsContact C-N 3.32Å
166	E	95.3	Very high	95.8	Very high	126 Å²	126	46.4 Å²	46.4	59%	0.589	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-3.4	-179.2	-57.4	-54.7	144.4	0	0	113	D133 S163 D168	D133-E166 HydrophobicContact CB-CG 3.8Å; S163-E166 PolarHBondContact OG-N 3.44Å; E166-D168 PolarHBondContact O-N 3.25Å
167	K	95	Very high	95.5	Very high	110 Å²	110	41.9 Å²	41.9	48%	0.478	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	26.4	-175.7	-52.5	173.6	-175.3	171.5	0	113.6	V39 G43 S163 K165 I170	V39-K167 HydrophobicContact CG1-CG 4.18Å; G43-K167 WeakPolarHBondContact O-CE 3.34Å; G43-K167 PolarHBondContact O-NZ 2.86Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.29Å; S163-K167 PolarHBondContact O-N 3.21Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K167-I170 HydrophobicContact CB-CG1 4.34Å
168	D	96.3	Very high	95.1	Very high	60 Å²	60	42.4 Å²	42.4	32%	0.321	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-71.2	132.9	176.5	-172.9	25.7	0	0	0	111	R132 I162 S163 E166 I170	R132-D168 IonicContact CZ-OD2 2.64Å; R132-D168 IonicContact NE-OD2 2.83Å; R132-D168 IonicContact NH1-OD2 3.64Å; R132-D168 PolarHBondContact NH1-OD2 2.79Å; I162-D168 WeakPolarHBondContact CA-O 3.43Å; S163-D168 PolarHBondContact N-O 3.01Å; S163-D168 VanDerWaalsContact N-O 3.1Å; S163-D168 PolarHBondContact O-N 2.82Å; S163-D168 VanDerWaalsContact O-N 3.07Å; E166-D168 PolarHBondContact O-N 3.25Å; D168-I170 PolarHBondContact O-N 3.37Å; D168-I170 VanDerWaalsContact O-N 3.12Å
169	N	96.9	Very high	94.7	Very high	39 Å²	39	48 Å²	48	21%	0.209	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	16.7	179.8	-69.7	-28.9	0	0	0	116.5	R132 S161 I162 D171 I172 T173	R132-N169 PolarHBondContact NH1-ND2 3.47Å; S161-N169 PolarHBondContact O-ND2 3.22Å; I162-N169 HydrophobicContact CB-CB 4.45Å; I162-N169 HydrophobicContact CG2-CB 3.76Å; N169-D171 VanDerWaalsContact C-N 3.32Å; N169-I172 HydrophobicContact CB-CD1 3.79Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 VanDerWaalsContact O-CG1 3.26Å; N169-I172 WeakPolarHBondContact O-CG1 3.43Å; N169-T173 WeakPolarHBondContact O-CB 3.41Å; N169-T173 PolarHBondContact O-N 2.94Å; N169-T173 PolarHBondContact O-OG1 3.32Å
170	I	94.6	Very high	94.3	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-32.2	176.2	-57.9	-60.2	0	0	0	111.4	F36 V39 I40 I162 K167 D168 T173 L174	F36-I170 HydrophobicContact CD2-CD1 4.1Å; F36-I170 HydrophobicContact CE2-CD1 4.09Å; V39-I170 HydrophobicContact CG1-CG1 4.4Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å; I40-I170 HydrophobicContact CG2-CG2 3.98Å; I162-I170 HydrophobicContact CB-CD1 4.36Å; I162-I170 HydrophobicContact CD1-CD1 3.95Å; K167-I170 HydrophobicContact CB-CG1 4.34Å; D168-I170 PolarHBondContact O-N 3.37Å; D168-I170 VanDerWaalsContact O-N 3.12Å; I170-T173 WeakPolarHBondContact O-CB 3.29Å; I170-L174 HydrophobicContact CG2-CD1 4.37Å; I170-L174 WeakPolarHBondContact O-CG 3.24Å; I170-L174 PolarHBondContact O-N 3.44Å
171	D	91.5	Very high	93.6	Very high	92 Å²	92	46.5 Å²	46.5	49%	0.492	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-50.1	177.8	60.7	-25.6	0	0	0	112.5	N169 T173 L174 Q175	N169-D171 VanDerWaalsContact C-N 3.32Å; D171-T173 VanDerWaalsContact C-N 3.25Å; D171-T173 PolarHBondContact O-N 3.22Å; D171-L174 PolarHBondContact O-N 2.95Å; D171-L174 VanDerWaalsContact O-N 3.17Å; D171-Q175 WeakPolarHBondContact O-CG 3.46Å; D171-Q175 PolarHBondContact O-N 3.06Å
172	I	94.1	Very high	92.3	Very high	50 Å²	50	53 Å²	53	26%	0.256	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-33.5	176.7	64.2	169.5	0	0	0	111.5	Y160 N169 Q175 W176	Y160-I172 HydrophobicContact CD1-CD1 4.25Å; Y160-I172 HydrophobicContact CD2-CD1 4.26Å; Y160-I172 HydrophobicContact CD2-CG1 4.28Å; Y160-I172 HydrophobicContact CE1-CD1 4.44Å; Y160-I172 HydrophobicContact CE2-CD1 4.42Å; Y160-I172 HydrophobicContact CE2-CG1 4.37Å; Y160-I172 HydrophobicContact CG-CD1 4.19Å; N169-I172 HydrophobicContact CB-CD1 3.79Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 VanDerWaalsContact O-CG1 3.26Å; N169-I172 WeakPolarHBondContact O-CG1 3.43Å; I172-Q175 PolarHBondContact O-N 3.27Å; I172-W176 PolarHBondContact O-N 3.23Å
173	T	95.1	Very high	90.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-47.5	173.1	-62.9	0	0	0	0	110.8	F36 L126 L128 N169 I170 D171 Q175 W176 L177	F36-T173 HydrophobicContact CE2-CG2 3.86Å; F36-T173 HydrophobicContact CZ-CG2 3.67Å; L126-T173 HydrophobicContact CD2-CG2 3.91Å; L128-T173 HydrophobicContact CD1-CG2 3.76Å; L128-T173 HydrophobicContact CD2-CG2 3.99Å; N169-T173 WeakPolarHBondContact O-CB 3.41Å; N169-T173 PolarHBondContact O-N 2.94Å; N169-T173 PolarHBondContact O-OG1 3.32Å; I170-T173 WeakPolarHBondContact O-CB 3.29Å; D171-T173 VanDerWaalsContact C-N 3.25Å; D171-T173 PolarHBondContact O-N 3.22Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; T173-W176 PolarHBondContact O-N 3.37Å; T173-L177 HydrophobicContact CG2-CD1 4.35Å; T173-L177 WeakPolarHBondContact O-CG 3.46Å; T173-L177 PolarHBondContact O-N 2.93Å; T173-L177 VanDerWaalsContact O-N 3.12Å
174	L	92.3	Very high	88.2	Confident	22 Å²	22	63.7 Å²	63.7	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-37.1	177.1	-72.9	173.3	0	0	0	112.2	I40 I67 I170 D171 L177 I178	I40-L174 HydrophobicContact CB-CD2 4.31Å; I40-L174 HydrophobicContact CG2-CD1 4.41Å; I40-L174 HydrophobicContact CG2-CD2 4Å; I40-L174 HydrophobicContact CG2-CG 4.38Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å; I170-L174 HydrophobicContact CG2-CD1 4.37Å; I170-L174 WeakPolarHBondContact O-CG 3.24Å; I170-L174 PolarHBondContact O-N 3.44Å; D171-L174 PolarHBondContact O-N 2.95Å; D171-L174 VanDerWaalsContact O-N 3.17Å; L174-L177 PolarHBondContact O-N 3.03Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.48Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 2.9Å
175	Q	91.4	Very high	85.5	Confident	122 Å²	122	74.2 Å²	74.2	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-61.5	-47	175.8	-72.2	172.9	10.3	0	0	111.6	D171 I172 T173 L177 I178 Q179	D171-Q175 WeakPolarHBondContact O-CG 3.46Å; D171-Q175 PolarHBondContact O-N 3.06Å; I172-Q175 PolarHBondContact O-N 3.27Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 3.2Å; Q175-I178 PolarHBondContact O-N 3.06Å; Q175-Q179 PolarHBondContact O-N 3.1Å
176	W	93.8	Very high	82.6	Confident	16 Å²	16	78.7 Å²	78.7	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-45.3	176.3	-172	95	0	0	0	111.1	A91 P124 L126 E156 C158 Y160 I172 T173 I178 Q179 H180	A91-W176 HydrophobicContact CB-CH2 4.29Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; P124-W176 HydrophobicContact CB-CH2 3.83Å; P124-W176 HydrophobicContact CB-CZ2 4.34Å; L126-W176 HydrophobicContact CB-CD2 4.43Å; L126-W176 HydrophobicContact CB-CE3 3.88Å; L126-W176 HydrophobicContact CB-CH2 3.98Å; L126-W176 HydrophobicContact CB-CZ3 3.64Å; L126-W176 HydrophobicContact CD1-CD2 4.23Å; L126-W176 HydrophobicContact CD1-CE3 4.43Å; L126-W176 HydrophobicContact CD2-CD2 4.18Å; L126-W176 HydrophobicContact CD2-CE3 3.72Å; L126-W176 HydrophobicContact CD2-CZ3 4.3Å; L126-W176 HydrophobicContact CG-CE3 4.23Å; L126-W176 HydrophobicContact CG-CZ3 4.48Å; E156-W176 HydrophobicContact CG-CZ2 4.44Å; E156-W176 PolarHBondContact OE1-NE1 3.36Å; C158-W176 HydrophobicContact CB-CZ2 4.3Å; Y160-W176 HydrophobicContact CE2-CB 4.09Å; Y160-W176 HydrophobicContact CE2-CG 4.44Å; I172-W176 PolarHBondContact O-N 3.23Å; T173-W176 PolarHBondContact O-N 3.37Å; W176-I178 PolarHBondContact O-N 3.44Å; W176-Q179 PolarHBondContact O-N 3.47Å; W176-H180 AromaticContact CD2-CE1 3.76Å; W176-H180 AromaticContact CD2-ND1 3.66Å; W176-H180 AromaticContact CE2-CE1 3.27Å; W176-H180 AromaticContact CE2-ND1 3.66Å; W176-H180 AromaticContact CE3-ND1 3.78Å; W176-H180 AromaticContact CH2-CE1 3.91Å; W176-H180 AromaticContact CH2-ND1 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.37Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.37Å; W176-H180 AromaticContact CZ2-ND1 3.83Å; W176-H180 AromaticContact CZ2-NE2 3.72Å; W176-H180 AromaticContact CZ3-ND1 3.92Å; W176-H180 AromaticContact NE1-CE1 3.53Å; W176-H180 PolarHBondContact O-N 3.14Å; W176-H180 PolarHBondContact O-ND1 3Å
177	L	92.1	Very high	81.9	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-44.6	178.2	-72	174.4	0	0	0	112.8	M21 L23 A91 V93 L126 T173 L174 Q175 Q179 H180 S181	M21-L177 HydrophobicContact CE-CB 4.03Å; M21-L177 HydrophobicContact CE-CD2 4.3Å; M21-L177 VanDerWaalsContact CE-O 3.24Å; M21-L177 WeakPolarHBondContact CE-O 3.44Å; M21-L177 HydrophobicContact SD-CB 4.47Å; L23-L177 HydrophobicContact CD2-CD1 3.79Å; L23-L177 HydrophobicContact CD2-CD2 3.74Å; L23-L177 HydrophobicContact CD2-CG 4.3Å; A91-L177 HydrophobicContact CB-CD2 4.38Å; V93-L177 HydrophobicContact CG2-CD2 3.82Å; L126-L177 HydrophobicContact CD2-CD2 4.42Å; L126-L177 HydrophobicContact CD2-CG 4.38Å; T173-L177 HydrophobicContact CG2-CD1 4.35Å; T173-L177 WeakPolarHBondContact O-CG 3.46Å; T173-L177 PolarHBondContact O-N 2.93Å; T173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 3.03Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 3.2Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.05Å; L177-H180 PolarHBondContact O-N 3.1Å; L177-H180 VanDerWaalsContact O-N 3.12Å; L177-S181 PolarHBondContact O-N 3.11Å
178	I	89.4	Confident	81.2	Confident	58 Å²	58	74.6 Å²	74.6	30%	0.297	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-35.1	178.7	-72.6	165.3	0	0	0	111.1	K62 V65 L174 Q175 W176 H180 S181	K62-I178 HydrophobicContact CB-CD1 4.45Å; V65-I178 HydrophobicContact CB-CG1 4.44Å; V65-I178 HydrophobicContact CG2-CG1 4.31Å; V65-I178 HydrophobicContact CG2-CG2 3.99Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.48Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 2.9Å; Q175-I178 PolarHBondContact O-N 3.06Å; W176-I178 PolarHBondContact O-N 3.44Å; I178-H180 PolarHBondContact O-N 3.02Å; I178-S181 WeakPolarHBondContact O-CB 3.3Å; I178-S181 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-OG 3.38Å
179	Q	89.5	Confident	80.4	Confident	145 Å²	145	75.4 Å²	75.4	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-29.1	175.4	-174.1	172.5	-6.4	0	0	112.3	Q175 W176 L177	Q175-Q179 PolarHBondContact O-N 3.1Å; W176-Q179 PolarHBondContact O-N 3.47Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.05Å
180	H	90.1	Very high	79.4	Confident	16 Å²	16	77.5 Å²	77.5	7%	0.074	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-89.9	0.5	179.9	-70.3	83.7	0	0	0	114.3	E156 W176 L177 I178 K182	E156-H180 IonicContact OE1-CE1 3.98Å; E156-H180 PolarHBondContact OE1-CE1 2.92Å; E156-H180 IonicContact OE1-NE2 3.14Å; E156-H180 PolarHBondContact OE1-NE2 3.46Å; E156-H180 IonicContact OE2-CE1 3.96Å; E156-H180 IonicContact OE2-NE2 2.85Å; E156-H180 PolarHBondContact OE2-NE2 3.1Å; E156-H180 VanDerWaalsContact OE2-NE2 3.14Å; W176-H180 AromaticContact CD2-CE1 3.76Å; W176-H180 AromaticContact CD2-ND1 3.66Å; W176-H180 AromaticContact CE2-CE1 3.27Å; W176-H180 AromaticContact CE2-ND1 3.66Å; W176-H180 AromaticContact CE3-ND1 3.78Å; W176-H180 AromaticContact CH2-CE1 3.91Å; W176-H180 AromaticContact CH2-ND1 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.37Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.37Å; W176-H180 AromaticContact CZ2-ND1 3.83Å; W176-H180 AromaticContact CZ2-NE2 3.72Å; W176-H180 AromaticContact CZ3-ND1 3.92Å; W176-H180 AromaticContact NE1-CE1 3.53Å; W176-H180 PolarHBondContact O-N 3.14Å; W176-H180 PolarHBondContact O-ND1 3Å; L177-H180 PolarHBondContact O-N 3.1Å; L177-H180 VanDerWaalsContact O-N 3.12Å; I178-H180 PolarHBondContact O-N 3.02Å; H180-K182 PolarHBondContact O-N 3.31Å
181	S	83.9	Confident	78.5	Confident	8 Å²	8	81.6 Å²	81.6	6%	0.056	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.4	174.3	63.4	0	0	0	0	112.5	E19 L177 I178	E19-S181 PolarHBondContact OE2-OG 3.17Å; L177-S181 PolarHBondContact O-N 3.11Å; I178-S181 WeakPolarHBondContact O-CB 3.3Å; I178-S181 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-OG 3.38Å
182	K	70.2	Confident	77.6	Confident	142 Å²	142	80.9 Å²	80.9	62%	0.617	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-87.5	-14.2	-169.9	-63.9	-177.7	-177.1	177.2	0	115.3	E19 H180 R184	E19-K182 WeakPolarHBondContact OE1-CE 3.4Å; E19-K182 WeakPolarHBondContact OE1-CG 3.15Å; E19-K182 WeakPolarHBondContact OE2-CG 3.45Å; H180-K182 PolarHBondContact O-N 3.31Å; K182-R184 PolarHBondContact O-N 3.16Å
183	S	57.7	Low	76.4	Confident	83 Å²	83	83.1 Å²	83.1	58%	0.58	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.2	-169.5	79.1	0	0	0	0	114.5	R185	S183-R185 PolarHBondContact O-N 2.65Å
184	R	52.4	Low	75	Confident	142 Å²	142	89.5 Å²	89.5	54%	0.536	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	15.9	-176.1	-117.1	-176.7	168	177.2	-3.7	116.3	G88 K182 S186	G88-R184 PolarHBondContact O-NH1 3.38Å; G88-R184 PolarHBondContact O-NH2 3.38Å; K182-R184 PolarHBondContact O-N 3.16Å; R184-S186 PolarHBondContact O-N 2.65Å
185	R	38.8	Very low	73.6	Confident	223 Å²	223	95.1 Å²	95.1	84%	0.842	47%	0.467	S	S	*	.			trans	-93	80.9	168.2	-71.5	-173.2	179.4	175.4	1.7	110.2	S183	S183-R185 PolarHBondContact O-N 2.65Å
186	S	33.5	Very low	71.9	Confident	185 Å²	185	92.6 Å²	92.6	100%	1.294	46%	0.458	S	S	*	.			trans	-113.5	0	151.7	67.6	0	0	0	0	108.4	R184	R184-S186 PolarHBondContact O-N 2.65Å

Retrieved 186 of 186 residues in 788.2 ms (Link to these results)

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