A0A087YGG7_POEFO Loading...

tRNA-specific adenosine deaminase 2

Probably participates in deamination of adenosine-34 to inosine in many tRNAs.

AlphaFold DB , UniProt , Accession A0A087YGG7, 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	41.6	Very low	52	Low	226 Å²	226	110.9 Å²	110.9	100%	1.113	57%	0.565	S	S	*	*				0	122.9	0	-78.7	167.3	69.7	0	0	107.3
2	A	47.6	Very low	52	Low	44 Å²	44	111.1 Å²	111.1	36%	0.364	56%	0.561	S	S	.	*			trans	-61.4	131.6	174.5	0	0	0	0	0	110.1	S6 R7	A2-S6 WeakPolarHBondContact CB-OG 3.32Å; A2-R7 HydrophobicContact CB-CG 4.22Å; A2-R7 PolarHBondContact O-NE 3.05Å; A2-R7 PolarHBondContact O-NH2 3.37Å
3	T	58.1	Low	51.9	Low	86 Å²	86	109.5 Å²	109.5	53%	0.528	58%	0.576	S	S	.	*			trans	-66.2	158	177	57.9	0	0	0	0	109.8	E5 S6 R7	T3-E5 PolarHBondContact O-N 3.03Å; T3-S6 PolarHBondContact N-OG 3.48Å; T3-S6 PolarHBondContact O-N 3.28Å; T3-S6 VanDerWaalsContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 3.26Å; T3-S6 WeakPolarHBondContact OG1-CB 3.48Å; T3-S6 PolarHBondContact OG1-N 2.98Å; T3-R7 PolarHBondContact O-N 3Å
4	E	57.2	Low	52	Low	160 Å²	160	106.1 Å²	106.1	75%	0.748	58%	0.58	S	S	*	*	H	α-helix	trans	-59.6	-34.2	179.5	-146.9	161	-162.3	0	0	111.3	K8	E4-K8 WeakPolarHBondContact O-CB 3.45Å; E4-K8 PolarHBondContact O-N 2.95Å
5	E	50.3	Low	53.1	Low	159 Å²	159	101.5 Å²	101.5	74%	0.743	55%	0.552	S	S	*	*	H	α-helix	trans	-69	-38.2	172	-76	170	139.1	0	0	113.7	T3 K8 A9	T3-E5 PolarHBondContact O-N 3.03Å; E5-K8 PolarHBondContact O-N 3.13Å; E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.06Å
6	S	47.7	Very low	54.6	Low	43 Å²	43	101.7 Å²	101.7	30%	0.301	56%	0.564	S	S	.	*	H	α-helix	trans	-71.6	-34.6	177.9	91.3	0	0	0	0	111.7	A2 T3 E10	A2-S6 WeakPolarHBondContact CB-OG 3.32Å; T3-S6 PolarHBondContact N-OG 3.48Å; T3-S6 PolarHBondContact O-N 3.28Å; T3-S6 VanDerWaalsContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 3.26Å; T3-S6 WeakPolarHBondContact OG1-CB 3.48Å; T3-S6 PolarHBondContact OG1-N 2.98Å; S6-E10 WeakPolarHBondContact O-CB 3.49Å; S6-E10 WeakPolarHBondContact O-CG 3.36Å; S6-E10 PolarHBondContact O-N 3.41Å
7	R	59.5	Low	56.7	Low	135 Å²	135	97.6 Å²	97.6	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-41	171.9	-93.6	-177.5	-102.8	-177.7	-5.4	112.2	A2 T3 E10 L11	A2-R7 HydrophobicContact CB-CG 4.22Å; A2-R7 PolarHBondContact O-NE 3.05Å; A2-R7 PolarHBondContact O-NH2 3.37Å; T3-R7 PolarHBondContact O-N 3Å; R7-E10 PolarHBondContact O-N 3.44Å; R7-L11 WeakPolarHBondContact O-CB 3.42Å; R7-L11 WeakPolarHBondContact O-CD1 3.31Å; R7-L11 PolarHBondContact O-N 3.44Å
8	K	53.9	Low	58.7	Low	115 Å²	115	94.7 Å²	94.7	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-46	175.4	-170.6	179.6	177.1	-174.6	0	111.3	E4 E5 L11 E12	E4-K8 WeakPolarHBondContact O-CB 3.45Å; E4-K8 PolarHBondContact O-N 2.95Å; E5-K8 PolarHBondContact O-N 3.13Å; K8-L11 PolarHBondContact O-N 3.49Å; K8-E12 WeakPolarHBondContact CE-OE1 3.41Å; K8-E12 VanDerWaalsContact O-CB 3.31Å; K8-E12 WeakPolarHBondContact O-CB 3.12Å; K8-E12 VanDerWaalsContact O-CG 3.23Å; K8-E12 WeakPolarHBondContact O-CG 3.29Å; K8-E12 PolarHBondContact O-N 3.21Å
9	A	51.3	Low	60.5	Low	53 Å²	53	94.9 Å²	94.9	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-65.3	-38	176.9	0	0	0	0	0	113.3	E5 E12 A13	E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.06Å; A9-E12 PolarHBondContact O-N 3.19Å; A9-A13 WeakPolarHBondContact O-CB 3.42Å; A9-A13 PolarHBondContact O-N 2.84Å
10	E	50.7	Low	62.3	Low	134 Å²	134	96.8 Å²	96.8	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-69.2	-39	175.3	-77.3	175.4	156.1	0	0	112.7	S6 R7 G14	S6-E10 WeakPolarHBondContact O-CB 3.49Å; S6-E10 WeakPolarHBondContact O-CG 3.36Å; S6-E10 PolarHBondContact O-N 3.41Å; R7-E10 PolarHBondContact O-N 3.44Å; E10-G14 PolarHBondContact O-N 3.05Å
11	L	54.1	Low	63.8	Low	65 Å²	65	94.9 Å²	94.9	34%	0.34	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-41.5	172.5	-85.7	154.7	0	0	0	111.5	R7 K8 F15 E96	R7-L11 WeakPolarHBondContact O-CB 3.42Å; R7-L11 WeakPolarHBondContact O-CD1 3.31Å; R7-L11 PolarHBondContact O-N 3.44Å; K8-L11 PolarHBondContact O-N 3.49Å; L11-F15 WeakPolarHBondContact O-CB 3.32Å; L11-F15 PolarHBondContact O-N 3.36Å; L11-F15 VanDerWaalsContact O-N 3.15Å; L11-E96 WeakPolarHBondContact CD2-O 3.14Å
12	E	51.7	Low	66.4	Low	113 Å²	113	85 Å²	85	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-69	-37.2	178.2	-76.1	173.1	175.2	0	0	112.7	K8 A9	K8-E12 WeakPolarHBondContact CE-OE1 3.41Å; K8-E12 VanDerWaalsContact O-CB 3.31Å; K8-E12 WeakPolarHBondContact O-CB 3.12Å; K8-E12 VanDerWaalsContact O-CG 3.23Å; K8-E12 WeakPolarHBondContact O-CG 3.29Å; K8-E12 PolarHBondContact O-N 3.21Å; A9-E12 PolarHBondContact O-N 3.19Å
13	A	51.2	Low	68.8	Low	90 Å²	90	88 Å²	88	74%	0.744	48%	0.477	S	S	*	.	H	α-helix	trans	-79.9	-25.2	178.8	0	0	0	0	0	113.8	A9	A9-A13 WeakPolarHBondContact O-CB 3.42Å; A9-A13 PolarHBondContact O-N 2.84Å
14	G	53.4	Low	70.7	Confident	62 Å²	62	89.1 Å²	89.1	64%	0.639	48%	0.475	S	S	*	.	H	α-helix	trans	-101.2	-12.8	-175.4	0	0	0	0	0	116	E10	E10-G14 PolarHBondContact O-N 3.05Å
15	F	67.8	Low	72.6	Confident	37 Å²	37	81.8 Å²	81.8	16%	0.162	44%	0.44	C	S	.	.			trans	-105.1	71.6	-174	-157	-106.4	0	0	0	111.6	L11 R97 V99 P120 L121 R153	L11-F15 WeakPolarHBondContact O-CB 3.32Å; L11-F15 PolarHBondContact O-N 3.36Å; L11-F15 VanDerWaalsContact O-N 3.15Å; F15-R97 HydrophobicContact CE2-CB 4.27Å; F15-R97 WeakPolarHBondContact CE2-O 3.22Å; F15-V99 HydrophobicContact CE1-CG2 3.5Å; F15-V99 HydrophobicContact CE2-CG2 4.42Å; F15-V99 HydrophobicContact CZ-CG2 3.37Å; F15-P120 HydrophobicContact CD1-CB 4.41Å; F15-P120 HydrophobicContact CD1-CG 3.84Å; F15-P120 HydrophobicContact CE1-CB 4.42Å; F15-P120 HydrophobicContact CE1-CG 3.46Å; F15-P120 VanDerWaalsContact CE1-CG 3.46Å; F15-P120 HydrophobicContact CZ-CG 3.96Å; F15-L121 HydrophobicContact CD1-CB 4.17Å; F15-L121 HydrophobicContact CD1-CD2 4.44Å; F15-L121 HydrophobicContact CE1-CB 3.79Å; F15-L121 HydrophobicContact CE1-CD2 4.32Å; F15-R153 PolarHBondContact O-NH2 3.38Å
16	S	77.9	Confident	74.9	Confident	105 Å²	105	74.2 Å²	74.2	73%	0.734	41%	0.405	S	S	*	.			trans	-108.8	144.2	169.4	63.3	0	0	0	0	110.1
17	V	89.4	Confident	77.4	Confident	33 Å²	33	74.1 Å²	74.1	20%	0.2	40%	0.404	C	S	.	.			trans	-111.1	138.6	174.8	-69.4	0	0	0	0	108.5	M22 V99 L121	V17-M22 HydrophobicContact CB-CG 4.22Å; V17-M22 HydrophobicContact CG2-CE 4.47Å; V17-M22 HydrophobicContact CG2-CG 3.6Å; V17-M22 HydrophobicContact CG2-SD 3.75Å; V17-V99 HydrophobicContact CG1-CG2 3.82Å; V17-L121 HydrophobicContact CG1-CD2 4.02Å; V17-L121 HydrophobicContact CG2-CD2 3.72Å
18	S	93.4	Very high	79.2	Confident	45 Å²	45	71.5 Å²	71.5	32%	0.315	39%	0.394	S	S	.	.			trans	-73.8	156.6	175.9	61.4	0	0	0	0	111.9	E20 E21 M22	S18-E20 VanDerWaalsContact C-N 3.25Å; S18-E20 PolarHBondContact O-N 3.29Å; S18-E21 PolarHBondContact N-OE2 2.67Å; S18-E21 PolarHBondContact O-N 3.38Å; S18-E21 WeakPolarHBondContact OG-CB 3.49Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 WeakPolarHBondContact OG-CG 3.31Å; S18-E21 PolarHBondContact OG-N 3.26Å; S18-E21 PolarHBondContact OG-OE2 3.04Å; S18-M22 WeakPolarHBondContact O-CG 3.48Å; S18-M22 PolarHBondContact O-N 3.47Å
19	D	93.6	Very high	81.4	Confident	99 Å²	99	66 Å²	66	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-37.8	173.6	-76	-9.6	0	0	0	111.9	M22 K23	D19-M22 PolarHBondContact O-N 3.27Å; D19-M22 WeakPolarHBondContact OD1-CE 3.23Å; D19-K23 WeakPolarHBondContact O-CB 3.41Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.43Å; D19-K23 PolarHBondContact O-N 3.4Å
20	E	95.2	Very high	83.6	Confident	131 Å²	131	63.5 Å²	63.5	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-61.4	-43.7	175	-75.5	67.5	-149.1	0	0	112.1	S18 K23 K24	S18-E20 VanDerWaalsContact C-N 3.25Å; S18-E20 PolarHBondContact O-N 3.29Å; E20-K23 PolarHBondContact O-N 3.39Å; E20-K24 VanDerWaalsContact O-CB 3.31Å; E20-K24 WeakPolarHBondContact O-CB 3.3Å; E20-K24 PolarHBondContact O-N 3.39Å
21	E	95.1	Very high	85.9	Confident	58 Å²	58	61.2 Å²	61.2	27%	0.271	34%	0.339	S	S	.	.	H	α-helix	trans	-66.3	-43.9	176	-75.7	167.9	131.1	0	0	111.6	S18 K23 K24 W25	S18-E21 PolarHBondContact N-OE2 2.67Å; S18-E21 PolarHBondContact O-N 3.38Å; S18-E21 WeakPolarHBondContact OG-CB 3.49Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 WeakPolarHBondContact OG-CG 3.31Å; S18-E21 PolarHBondContact OG-N 3.26Å; S18-E21 PolarHBondContact OG-OE2 3.04Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.13Å; E21-K24 PolarHBondContact O-N 3.42Å; E21-W25 WeakPolarHBondContact O-CB 3.19Å; E21-W25 PolarHBondContact O-N 2.87Å
22	M	96.4	Very high	88	Confident	17 Å²	17	59.1 Å²	59.1	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-45.9	175.2	-67.6	-166.7	-78.4	0	0	111.3	V17 S18 D19 M26 Y101 V123 V155	V17-M22 HydrophobicContact CB-CG 4.22Å; V17-M22 HydrophobicContact CG2-CE 4.47Å; V17-M22 HydrophobicContact CG2-CG 3.6Å; V17-M22 HydrophobicContact CG2-SD 3.75Å; S18-M22 WeakPolarHBondContact O-CG 3.48Å; S18-M22 PolarHBondContact O-N 3.47Å; D19-M22 PolarHBondContact O-N 3.27Å; D19-M22 WeakPolarHBondContact OD1-CE 3.23Å; M22-M26 WeakPolarHBondContact O-CB 3.37Å; M22-M26 PolarHBondContact O-N 2.91Å; M22-Y101 HydrophobicContact CB-CE1 4.32Å; M22-Y101 HydrophobicContact CG-CE1 4.09Å; M22-V123 HydrophobicContact CG-CG1 4.37Å; M22-V123 HydrophobicContact CG-CG2 4.29Å; M22-V123 HydrophobicContact SD-CG1 4.04Å; M22-V123 HydrophobicContact SD-CG2 4.04Å; M22-V155 HydrophobicContact SD-CG1 3.95Å
23	K	96.9	Very high	90.3	Very high	109 Å²	109	53.7 Å²	53.7	47%	0.474	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-46.1	176.5	-73.1	167.7	-172.7	164.1	0	112.3	D19 E20 E21 S27 H158	D19-K23 WeakPolarHBondContact O-CB 3.41Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.43Å; D19-K23 PolarHBondContact O-N 3.4Å; E20-K23 PolarHBondContact O-N 3.39Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.13Å; K23-S27 VanDerWaalsContact O-CB 3.31Å; K23-S27 WeakPolarHBondContact O-CB 3.49Å; K23-S27 PolarHBondContact O-N 2.87Å; K23-S27 PolarHBondContact O-OG 3.42Å; K23-H158 WeakPolarHBondContact CA-NE2 3.3Å; K23-H158 VanDerWaalsContact CG-NE2 3.3Å; K23-H158 WeakPolarHBondContact CG-NE2 3.34Å; K23-H158 PolarHBondContact N-NE2 2.89Å
24	K	97.8	Very high	92.5	Very high	108 Å²	108	53.9 Å²	53.9	47%	0.47	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-53	179.2	175	-173.8	173.2	-173.3	0	111.2	E20 E21 S27 R28	E20-K24 VanDerWaalsContact O-CB 3.31Å; E20-K24 WeakPolarHBondContact O-CB 3.3Å; E20-K24 PolarHBondContact O-N 3.39Å; E21-K24 PolarHBondContact O-N 3.42Å; K24-S27 PolarHBondContact O-N 2.91Å; K24-R28 PolarHBondContact O-N 2.92Å
25	W	98.4	Very high	94.7	Very high	6 Å²	6	55 Å²	55	2%	0.023	27%	0.273	C	S	.	.	H	α-helix	trans	-74.3	-39.8	-174.1	-63.8	127.5	0	0	0	112.4	E21 S27 R28 A29 L47 V49 Q52 V54 Y101	E21-W25 WeakPolarHBondContact O-CB 3.19Å; E21-W25 PolarHBondContact O-N 2.87Å; W25-S27 VanDerWaalsContact C-N 3.26Å; W25-S27 PolarHBondContact O-N 2.94Å; W25-R28 PolarHBondContact O-N 3.45Å; W25-R28 VanDerWaalsContact O-N 3.13Å; W25-A29 PolarHBondContact O-N 3.01Å; W25-L47 HydrophobicContact CE3-CD1 4.2Å; W25-V49 HydrophobicContact CD2-CG1 4.38Å; W25-V49 HydrophobicContact CD2-CG2 3.95Å; W25-V49 HydrophobicContact CE3-CG2 4.14Å; W25-V49 HydrophobicContact CG-CG2 4.11Å; W25-V49 HydrophobicContact CZ2-CG1 4.06Å; W25-Q52 WeakPolarHBondContact CH2-O 3.36Å; W25-V54 HydrophobicContact CE3-CG2 4.01Å; W25-V54 HydrophobicContact CH2-CG2 3.91Å; W25-V54 HydrophobicContact CZ3-CG2 3.31Å; W25-Y101 HydrophobicContact CB-CD1 3.83Å; W25-Y101 HydrophobicContact CB-CD2 3.52Å; W25-Y101 HydrophobicContact CB-CE1 3.94Å; W25-Y101 HydrophobicContact CB-CE2 3.59Å; W25-Y101 HydrophobicContact CB-CG 3.63Å; W25-Y101 AromaticContact CD1-CE2 3.63Å; W25-Y101 AromaticContact CD1-CZ 3.62Å; W25-Y101 HydrophobicContact CG-CD2 4.13Å; W25-Y101 AromaticContact CG-CE2 3.77Å; W25-Y101 HydrophobicContact CG-CE2 3.77Å
26	M	98.5	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-39.6	173.4	-171.7	56.4	75.3	0	0	111	M22 R28 A29 F30 V102 T103 V123 H158	M22-M26 WeakPolarHBondContact O-CB 3.37Å; M22-M26 PolarHBondContact O-N 2.91Å; M26-R28 VanDerWaalsContact C-N 3.25Å; M26-R28 PolarHBondContact O-N 2.9Å; M26-A29 WeakPolarHBondContact O-CB 3.27Å; M26-A29 PolarHBondContact O-N 3.46Å; M26-A29 HydrophobicContact SD-CB 4.12Å; M26-F30 HydrophobicContact CG-CD2 3.91Å; M26-F30 HydrophobicContact CG-CE2 3.75Å; M26-F30 VanDerWaalsContact O-CD2 3.29Å; M26-F30 WeakPolarHBondContact O-CD2 3.39Å; M26-F30 PolarHBondContact O-N 2.86Å; M26-F30 HydrophobicContact SD-CD2 4.15Å; M26-F30 HydrophobicContact SD-CE2 3.91Å; M26-V102 WeakPolarHBondContact CE-O 3.28Å; M26-T103 HydrophobicContact SD-CG2 4.46Å; M26-V123 HydrophobicContact CE-CG1 4.03Å; M26-V123 WeakPolarHBondContact CE-O 3.41Å; M26-H158 HydrophobicContact CE-CB 4.13Å; M26-H158 HydrophobicContact CG-CB 4.36Å; M26-H158 WeakPolarHBondContact CG-ND1 3.4Å
27	S	98.4	Very high	97	Very high	42 Å²	42	50 Å²	50	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-36	177.2	-60.4	0	0	0	0	113.6	K23 K24 W25 F30 E31 R159	K23-S27 VanDerWaalsContact O-CB 3.31Å; K23-S27 WeakPolarHBondContact O-CB 3.49Å; K23-S27 PolarHBondContact O-N 2.87Å; K23-S27 PolarHBondContact O-OG 3.42Å; K24-S27 PolarHBondContact O-N 2.91Å; W25-S27 VanDerWaalsContact C-N 3.26Å; W25-S27 PolarHBondContact O-N 2.94Å; S27-F30 PolarHBondContact O-N 3.41Å; S27-E31 PolarHBondContact O-N 3.27Å; S27-R159 VanDerWaalsContact CA-NH1 3.29Å; S27-R159 PolarHBondContact OG-NH1 3.05Å
28	R	98.5	Very high	97.3	Very high	79 Å²	79	56 Å²	56	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-76.3	-31.8	173.7	-67.4	-179.4	60.7	178.7	-6.3	112.8	K24 W25 M26 F30 E31 M32 L47	K24-R28 PolarHBondContact O-N 2.92Å; W25-R28 PolarHBondContact O-N 3.45Å; W25-R28 VanDerWaalsContact O-N 3.13Å; M26-R28 VanDerWaalsContact C-N 3.25Å; M26-R28 PolarHBondContact O-N 2.9Å; R28-F30 PolarHBondContact O-N 3.41Å; R28-E31 VanDerWaalsContact O-CB 3.29Å; R28-E31 WeakPolarHBondContact O-CB 3.37Å; R28-E31 PolarHBondContact O-N 3.28Å; R28-M32 PolarHBondContact O-N 3.49Å; R28-L47 HydrophobicContact CB-CD1 3.51Å
29	A	98.8	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-36.9	170.4	0	0	0	0	0	111.4	W25 M26 E31 M32 A33 L47 T103	W25-A29 PolarHBondContact O-N 3.01Å; M26-A29 WeakPolarHBondContact O-CB 3.27Å; M26-A29 PolarHBondContact O-N 3.46Å; M26-A29 HydrophobicContact SD-CB 4.12Å; A29-E31 VanDerWaalsContact C-N 3.28Å; A29-E31 PolarHBondContact O-N 3.04Å; A29-M32 WeakPolarHBondContact O-CB 3.43Å; A29-M32 PolarHBondContact O-N 2.71Å; A29-M32 VanDerWaalsContact O-N 3.17Å; A29-A33 PolarHBondContact O-N 3.19Å; A29-L47 HydrophobicContact CB-CG 4.36Å; A29-T103 HydrophobicContact CB-CG2 4.31Å
30	F	98.8	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-23.8	172.4	-86.6	-82.1	0	0	0	113.9	M26 S27 R28 A33 R34 T103 R159 E162 A163 M166	M26-F30 HydrophobicContact CG-CD2 3.91Å; M26-F30 HydrophobicContact CG-CE2 3.75Å; M26-F30 VanDerWaalsContact O-CD2 3.29Å; M26-F30 WeakPolarHBondContact O-CD2 3.39Å; M26-F30 PolarHBondContact O-N 2.86Å; M26-F30 HydrophobicContact SD-CD2 4.15Å; M26-F30 HydrophobicContact SD-CE2 3.91Å; S27-F30 PolarHBondContact O-N 3.41Å; R28-F30 PolarHBondContact O-N 3.41Å; F30-A33 PolarHBondContact O-N 3.36Å; F30-R34 WeakPolarHBondContact O-CG 3.36Å; F30-R34 PolarHBondContact O-N 3.26Å; F30-T103 HydrophobicContact CB-CG2 4.43Å; F30-T103 HydrophobicContact CD1-CG2 3.81Å; F30-T103 HydrophobicContact CD2-CG2 3.79Å; F30-T103 HydrophobicContact CE1-CG2 3.92Å; F30-T103 HydrophobicContact CE2-CG2 3.87Å; F30-T103 HydrophobicContact CG-CG2 3.75Å; F30-T103 HydrophobicContact CZ-CG2 3.95Å; F30-R159 HydrophobicContact CE2-CB 3.69Å; F30-R159 HydrophobicContact CE2-CG 4.48Å; F30-R159 HydrophobicContact CZ-CB 3.95Å; F30-E162 HydrophobicContact CD1-CG 4.05Å; F30-E162 WeakPolarHBondContact CD1-OE1 3.13Å; F30-E162 HydrophobicContact CE1-CB 3.96Å; F30-E162 HydrophobicContact CE1-CG 3.63Å; F30-E162 HydrophobicContact CZ-CB 4.11Å; F30-E162 HydrophobicContact CZ-CG 4.23Å; F30-A163 HydrophobicContact CE1-CB 4.11Å; F30-A163 HydrophobicContact CZ-CB 3.86Å; F30-M166 HydrophobicContact CD1-SD 3.62Å; F30-M166 HydrophobicContact CE1-SD 3.91Å
31	E	98.8	Very high	97.5	Very high	87 Å²	87	47.8 Å²	47.8	41%	0.407	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-44.8	169.8	-62.2	165.1	179.1	0	0	110.1	S27 R28 A29 A33 R34 E35	S27-E31 PolarHBondContact O-N 3.27Å; R28-E31 VanDerWaalsContact O-CB 3.29Å; R28-E31 WeakPolarHBondContact O-CB 3.37Å; R28-E31 PolarHBondContact O-N 3.28Å; A29-E31 VanDerWaalsContact C-N 3.28Å; A29-E31 PolarHBondContact O-N 3.04Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-A33 PolarHBondContact O-N 2.93Å; E31-R34 VanDerWaalsContact CG-NH2 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 2.75Å; E31-R34 VanDerWaalsContact O-N 3.13Å; E31-E35 PolarHBondContact O-N 2.79Å
32	M	98.8	Very high	97.6	Very high	20 Å²	20	46.7 Å²	46.7	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-38.5	176.5	-53.2	-63.3	86.1	0	0	111.9	R28 A29 R34 E35 A36 L47 K57 G58 R59	R28-M32 PolarHBondContact O-N 3.49Å; A29-M32 WeakPolarHBondContact O-CB 3.43Å; A29-M32 PolarHBondContact O-N 2.71Å; A29-M32 VanDerWaalsContact O-N 3.17Å; M32-R34 VanDerWaalsContact C-N 3.31Å; M32-R34 PolarHBondContact O-N 3.2Å; M32-E35 WeakPolarHBondContact CE-OE1 3.37Å; M32-E35 PolarHBondContact O-N 3.06Å; M32-A36 PolarHBondContact O-N 3.32Å; M32-L47 HydrophobicContact CG-CD2 4.23Å; M32-K57 HydrophobicContact SD-CB 4.05Å; M32-K57 HydrophobicContact SD-CD 4.33Å; M32-G58 WeakPolarHBondContact CB-O 3.33Å; M32-R59 HydrophobicContact CB-CB 4.22Å; M32-R59 WeakPolarHBondContact O-CB 3.23Å
33	A	98.8	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-36.9	174.3	0	0	0	0	0	112.2	A29 F30 E31 A36 L37 P43 T103 M166	A29-A33 PolarHBondContact O-N 3.19Å; F30-A33 PolarHBondContact O-N 3.36Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-A33 PolarHBondContact O-N 2.93Å; A33-A36 PolarHBondContact O-N 3.41Å; A33-L37 PolarHBondContact O-N 2.96Å; A33-P43 WeakPolarHBondContact CB-O 3.37Å; A33-T103 HydrophobicContact CB-CG2 3.87Å; A33-M166 HydrophobicContact CB-CE 3.85Å; A33-M166 HydrophobicContact CB-SD 4.16Å
34	R	98.6	Very high	97.8	Very high	93 Å²	93	41.7 Å²	41.7	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-67.8	-40.6	175.5	-78.1	-176.1	-74.2	-91.8	1.9	111.3	F30 E31 M32 A36 L37 Q38 E162 M166	F30-R34 WeakPolarHBondContact O-CG 3.36Å; F30-R34 PolarHBondContact O-N 3.26Å; E31-R34 VanDerWaalsContact CG-NH2 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 2.75Å; E31-R34 VanDerWaalsContact O-N 3.13Å; M32-R34 VanDerWaalsContact C-N 3.31Å; M32-R34 PolarHBondContact O-N 3.2Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-L37 PolarHBondContact O-N 3.39Å; R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 VanDerWaalsContact O-CG 3.27Å; R34-Q38 WeakPolarHBondContact O-CG 3.43Å; R34-Q38 PolarHBondContact O-N 3.34Å; R34-E162 IonicContact NH1-OE1 3.5Å; R34-M166 HydrophobicContact CB-CE 4.32Å; R34-M166 HydrophobicContact CG-CE 3.66Å
35	E	98.4	Very high	97.8	Very high	87 Å²	87	36.5 Å²	36.5	41%	0.407	19%	0.189	S	C	.	.	H	α-helix	trans	-61.8	-41.5	174.3	-71	174.3	-161.4	0	0	111.9	E31 M32 Q38 S39	E31-E35 PolarHBondContact O-N 2.79Å; M32-E35 WeakPolarHBondContact CE-OE1 3.37Å; M32-E35 PolarHBondContact O-N 3.06Å; E35-Q38 PolarHBondContact O-N 3.01Å; E35-S39 WeakPolarHBondContact O-CB 3.5Å; E35-S39 PolarHBondContact O-N 2.98Å; E35-S39 PolarHBondContact O-OG 3Å
36	A	98.3	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-49.6	173.1	0	0	0	0	0	111.1	M32 A33 R34 Q38 S39 G40 E41 R59	M32-A36 PolarHBondContact O-N 3.32Å; A33-A36 PolarHBondContact O-N 3.41Å; R34-A36 VanDerWaalsContact C-N 3.35Å; A36-Q38 VanDerWaalsContact C-N 3.32Å; A36-Q38 PolarHBondContact O-N 3.3Å; A36-S39 CarbonylContact O-C 3.4Å; A36-S39 WeakPolarHBondContact O-CA 3.29Å; A36-S39 PolarHBondContact O-N 3.46Å; A36-G40 PolarHBondContact O-N 3.06Å; A36-E41 HydrophobicContact CB-CB 3.9Å; A36-E41 WeakPolarHBondContact O-CA 3.31Å; A36-E41 WeakPolarHBondContact O-CB 3.4Å; A36-E41 PolarHBondContact O-N 3.48Å; A36-R59 HydrophobicContact CB-CB 4Å; A36-R59 HydrophobicContact CB-CG 4.41Å
37	L	96.9	Very high	97.9	Very high	35 Å²	35	36.3 Å²	36.3	18%	0.183	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-45.4	179.1	-170.7	56.2	0	0	0	112.3	A33 R34 S39 G40 P43 M166 T169 F170	A33-L37 PolarHBondContact O-N 2.96Å; R34-L37 PolarHBondContact O-N 3.39Å; L37-S39 PolarHBondContact O-N 3.3Å; L37-G40 PolarHBondContact O-N 3.44Å; L37-G40 VanDerWaalsContact O-N 3.1Å; L37-P43 HydrophobicContact CB-CB 4.05Å; L37-P43 HydrophobicContact CD1-CB 4.35Å; L37-P43 HydrophobicContact CD1-CG 4.43Å; L37-M166 HydrophobicContact CD2-CE 4.26Å; L37-T169 HydrophobicContact CD2-CG2 4.21Å; L37-F170 HydrophobicContact CD1-CB 3.88Å; L37-F170 HydrophobicContact CD1-CD2 4.04Å; L37-F170 HydrophobicContact CD1-CG 4.47Å
38	Q	95.9	Very high	97.9	Very high	161 Å²	161	34.3 Å²	34.3	75%	0.752	18%	0.175	S	C	*	.	H	α-helix	trans	-63.8	-27.5	178.3	-72.5	170.9	6.2	0	0	112.5	R34 E35 A36 G40	R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 VanDerWaalsContact O-CG 3.27Å; R34-Q38 WeakPolarHBondContact O-CG 3.43Å; R34-Q38 PolarHBondContact O-N 3.34Å; E35-Q38 PolarHBondContact O-N 3.01Å; A36-Q38 VanDerWaalsContact C-N 3.32Å; A36-Q38 PolarHBondContact O-N 3.3Å; Q38-G40 VanDerWaalsContact C-N 3.31Å
39	S	94.9	Very high	97.9	Very high	65 Å²	65	30.7 Å²	30.7	46%	0.455	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.6	177.5	-51.7	0	0	0	0	113.1	E35 A36 L37 E41	E35-S39 WeakPolarHBondContact O-CB 3.5Å; E35-S39 PolarHBondContact O-N 2.98Å; E35-S39 PolarHBondContact O-OG 3Å; A36-S39 CarbonylContact O-C 3.4Å; A36-S39 WeakPolarHBondContact O-CA 3.29Å; A36-S39 PolarHBondContact O-N 3.46Å; L37-S39 PolarHBondContact O-N 3.3Å; S39-E41 VanDerWaalsContact C-N 3.32Å
40	G	94.1	Very high	97.8	Very high	35 Å²	35	32.9 Å²	32.9	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	24.5	-177.1	0	0	0	0	0	113.6	A36 L37 Q38 N63	A36-G40 PolarHBondContact O-N 3.06Å; L37-G40 PolarHBondContact O-N 3.44Å; L37-G40 VanDerWaalsContact O-N 3.1Å; Q38-G40 VanDerWaalsContact C-N 3.31Å; G40-N63 PolarHBondContact O-ND2 2.91Å
41	E	96.4	Very high	97.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	20%	0.199	C	C	.	.	S	Bend	trans	-102.4	158	176.9	-68.3	-78.7	-170.2	0	0	111.1	A36 S39 N60 E61 V62 N63 E64 F170	A36-E41 HydrophobicContact CB-CB 3.9Å; A36-E41 WeakPolarHBondContact O-CA 3.31Å; A36-E41 WeakPolarHBondContact O-CB 3.4Å; A36-E41 PolarHBondContact O-N 3.48Å; S39-E41 VanDerWaalsContact C-N 3.32Å; E41-N60 HydrophobicContact CB-CB 4.3Å; E41-N60 WeakPolarHBondContact CB-O 3.04Å; E41-N60 VanDerWaalsContact CG-O 3.3Å; E41-N60 WeakPolarHBondContact CG-O 3.37Å; E41-N60 PolarHBondContact OE2-ND2 3.01Å; E41-E61 WeakPolarHBondContact OE1-CA 3.36Å; E41-V62 PolarHBondContact OE1-N 3.44Å; E41-V62 PolarHBondContact OE2-N 2.92Å; E41-N63 VanDerWaalsContact OE1-CA 3.29Å; E41-N63 WeakPolarHBondContact OE1-CA 3.11Å; E41-N63 VanDerWaalsContact OE1-CB 3.23Å; E41-N63 WeakPolarHBondContact OE1-CB 3.49Å; E41-N63 PolarHBondContact OE1-N 3.13Å; E41-N63 PolarHBondContact OE2-N 3.05Å; E41-N63 PolarHBondContact OE2-ND2 3.34Å; E41-E64 PolarHBondContact OE1-N 2.88Å; E41-F170 VanDerWaalsContact O-CD2 3.27Å; E41-F170 WeakPolarHBondContact O-CD2 3.23Å; E41-F170 VanDerWaalsContact O-CE2 3.27Å; E41-F170 WeakPolarHBondContact O-CE2 3.45Å
42	V	97.4	Very high	97.2	Very high	34 Å²	34	38.7 Å²	38.7	21%	0.206	21%	0.214	C	C	.	.			trans	-56.3	128.5	171.6	-173.1	0	0	0	0	108.1	V44 N60 L167 F170	V42-V44 HydrophobicContact CG1-CG2 4.05Å; V42-V44 PolarHBondContact O-N 3.41Å; V42-N60 VanDerWaalsContact O-CB 3.22Å; V42-N60 WeakPolarHBondContact O-CB 3.37Å; V42-L167 HydrophobicContact CG1-CD2 3.89Å; V42-F170 HydrophobicContact CB-CE1 4.35Å; V42-F170 HydrophobicContact CG2-CD1 4.37Å; V42-F170 HydrophobicContact CG2-CE1 3.69Å; V42-F170 HydrophobicContact CG2-CZ 3.89Å
43	P	98.3	Very high	97.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.013	23%	0.231	C	C	.	.			trans	-78.2	61.7	-168.6	31.6	-37.9	0	0	0	113	A33 L37 M166 L167 F170	A33-P43 WeakPolarHBondContact CB-O 3.37Å; L37-P43 HydrophobicContact CB-CB 4.05Å; L37-P43 HydrophobicContact CD1-CB 4.35Å; L37-P43 HydrophobicContact CD1-CG 4.43Å; P43-M166 HydrophobicContact CB-CB 4.04Å; P43-M166 HydrophobicContact CB-CE 3.97Å; P43-M166 HydrophobicContact CG-CB 3.93Å; P43-M166 WeakPolarHBondContact CG-O 2.85Å; P43-L167 HydrophobicContact CG-CD2 4.14Å; P43-F170 HydrophobicContact CG-CB 3.98Å
44	V	98.8	Very high	97.1	Very high	19 Å²	19	43.9 Å²	43.9	12%	0.115	24%	0.239	C	C	.	.			trans	-105.8	126.7	172.4	-172.9	0	0	0	0	108.1	V42 R59 N60 A72 V102 T103 V104	V42-V44 HydrophobicContact CG1-CG2 4.05Å; V42-V44 PolarHBondContact O-N 3.41Å; V44-R59 WeakPolarHBondContact O-CA 3.34Å; V44-N60 PolarHBondContact O-N 2.96Å; V44-N60 VanDerWaalsContact O-N 3.07Å; V44-A72 HydrophobicContact CB-CB 4.4Å; V44-A72 HydrophobicContact CG1-CB 3.92Å; V44-V102 HydrophobicContact CG1-CG2 3.95Å; V44-T103 WeakPolarHBondContact CA-OG1 3.32Å; V44-V104 HydrophobicContact CG1-CB 4.39Å; V44-V104 HydrophobicContact CG2-CB 4.23Å; V44-V104 HydrophobicContact CG2-CG2 3.96Å
45	G	98.8	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147	176.9	0	0	0	0	0	110.5	G58 V102 T103	G45-G58 CarbonylContact C-O 3.55Å; G45-G58 WeakPolarHBondContact CA-O 3.37Å; G45-V102 WeakPolarHBondContact O-CA 3.46Å; G45-T103 PolarHBondContact N-OG1 3.21Å; G45-T103 VanDerWaalsContact N-OG1 3.13Å; G45-T103 PolarHBondContact O-N 2.95Å; G45-T103 PolarHBondContact O-OG1 2.8Å
46	C	98.9	Very high	97.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.9	178.8	78.5	0	0	0	0	113.8	G58 A72 A76 L100 Y101 V102	C46-G58 PolarHBondContact N-O 3.2Å; C46-G58 PolarHBondContact O-N 3.48Å; C46-A72 HydrophobicContact CB-CB 4.28Å; C46-A72 PolarHBondContact SG-O 3.4Å; C46-A76 VanDerWaalsContact SG-CB 3.51Å; C46-L100 HydrophobicContact CB-CD1 3.82Å; C46-Y101 CarbonylContact C-O 3.54Å; C46-Y101 WeakPolarHBondContact CA-O 3.41Å; C46-Y101 VanDerWaalsContact CB-O 3.23Å; C46-Y101 WeakPolarHBondContact CB-O 3.39Å; C46-V102 HydrophobicContact CB-CB 3.69Å; C46-V102 HydrophobicContact CB-CG2 3.75Å
47	L	98.9	Very high	97.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.7	173.3	-58.7	176.7	0	0	0	109.9	W25 R28 A29 M32 V49 V54 G56 K57 L100 Y101	W25-L47 HydrophobicContact CE3-CD1 4.2Å; R28-L47 HydrophobicContact CB-CD1 3.51Å; A29-L47 HydrophobicContact CB-CG 4.36Å; M32-L47 HydrophobicContact CG-CD2 4.23Å; L47-V49 HydrophobicContact CB-CG2 4.21Å; L47-V54 HydrophobicContact CD2-CG1 3.95Å; L47-G56 WeakPolarHBondContact CA-O 3.49Å; L47-K57 HydrophobicContact CD2-CB 4.08Å; L47-K57 HydrophobicContact CD2-CD 4.47Å; L47-K57 HydrophobicContact CD2-CG 3.71Å; L47-L100 WeakPolarHBondContact O-CA 3.45Å; L47-Y101 PolarHBondContact N-O 3.5Å; L47-Y101 PolarHBondContact O-N 3.17Å
48	L	98.8	Very high	97.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.1	163.4	-73	165.4	0	0	0	108.3	V55 G56 A76 L77 L80 T98 V99 L100	L48-V55 HydrophobicContact CB-CG2 4.06Å; L48-V55 WeakPolarHBondContact O-CG2 3.39Å; L48-V55 PolarHBondContact O-N 3.41Å; L48-G56 PolarHBondContact N-O 2.92Å; L48-G56 PolarHBondContact O-N 3.28Å; L48-A76 HydrophobicContact CD1-CB 3.85Å; L48-A76 HydrophobicContact CG-CB 4.14Å; L48-L77 HydrophobicContact CD1-CD2 3.74Å; L48-L77 HydrophobicContact CD1-CG 4.05Å; L48-L80 HydrophobicContact CB-CD1 4.24Å; L48-L80 HydrophobicContact CD1-CB 4.03Å; L48-L80 HydrophobicContact CD1-CD1 3.85Å; L48-L80 HydrophobicContact CG-CD1 4.5Å; L48-T98 HydrophobicContact CB-CG2 3.78Å; L48-T98 HydrophobicContact CD2-CG2 3.64Å; L48-T98 HydrophobicContact CG-CG2 4.28Å; L48-V99 WeakPolarHBondContact CA-O 3.21Å; L48-L100 HydrophobicContact CD2-CB 4.01Å; L48-L100 HydrophobicContact CD2-CD1 3.93Å; L48-L100 HydrophobicContact CG-CD1 4.21Å
49	V	98.6	Very high	97.4	Very high	3 Å²	3	32 Å²	32	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.6	-174.9	-177	0	0	0	0	109.8	W25 L47 G51 E53 V54 T98 V99 Y101	W25-V49 HydrophobicContact CD2-CG1 4.38Å; W25-V49 HydrophobicContact CD2-CG2 3.95Å; W25-V49 HydrophobicContact CE3-CG2 4.14Å; W25-V49 HydrophobicContact CG-CG2 4.11Å; W25-V49 HydrophobicContact CZ2-CG1 4.06Å; L47-V49 HydrophobicContact CB-CG2 4.21Å; V49-G51 WeakPolarHBondContact CG1-O 3.49Å; V49-E53 CarbonylContact C-O 3.47Å; V49-E53 VanDerWaalsContact CA-O 3.32Å; V49-E53 WeakPolarHBondContact CA-O 3.47Å; V49-V54 HydrophobicContact CG2-CG2 4.37Å; V49-T98 CarbonylContact O-C 3.55Å; V49-T98 VanDerWaalsContact O-CA 3.3Å; V49-T98 WeakPolarHBondContact O-CA 3.05Å; V49-V99 PolarHBondContact N-O 3.39Å; V49-V99 PolarHBondContact O-N 2.98Å; V49-Y101 HydrophobicContact CB-CD2 4.35Å; V49-Y101 HydrophobicContact CB-CE2 3.96Å; V49-Y101 HydrophobicContact CG2-CD2 3.73Å; V49-Y101 HydrophobicContact CG2-CE2 3.73Å
50	H	97	Very high	97.5	Very high	45 Å²	45	29.4 Å²	29.4	21%	0.208	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.5	174.6	-174.9	84.8	0	0	0	108.8	Q52 E53 V55 V94 R97	H50-Q52 PolarHBondContact O-N 2.96Å; H50-Q52 VanDerWaalsContact O-N 3.13Å; H50-E53 PolarHBondContact N-O 2.96Å; H50-E53 PolarHBondContact O-N 2.64Å; H50-V55 HydrophobicContact CB-CG1 3.69Å; H50-V55 HydrophobicContact CB-CG2 4.11Å; H50-V94 HydrophobicContact CB-CG1 4.49Å; H50-V94 PolarHBondContact CE1-O 2.66Å; H50-V94 PolarHBondContact ND1-O 2.56Å; H50-R97 PolarHBondContact ND1-O 2.76Å
51	G	92.8	Very high	97.7	Very high	57 Å²	57	30 Å²	30	59%	0.588	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	-111.8	-169.5	0	0	0	0	0	111.5	V49	V49-G51 WeakPolarHBondContact CG1-O 3.49Å
52	Q	92.1	Very high	97.8	Very high	152 Å²	152	31.5 Å²	31.5	71%	0.71	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	6.1	175.2	-64.1	-167.9	-10.7	0	0	113.5	W25 H50	W25-Q52 WeakPolarHBondContact CH2-O 3.36Å; H50-Q52 PolarHBondContact O-N 2.96Å; H50-Q52 VanDerWaalsContact O-N 3.13Å
53	E	96.7	Very high	97.7	Very high	101 Å²	101	34.7 Å²	34.7	47%	0.472	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.7	-177	-171.2	174.2	171.7	0	0	111.1	V49 H50 V55 W83	V49-E53 CarbonylContact C-O 3.47Å; V49-E53 VanDerWaalsContact CA-O 3.32Å; V49-E53 WeakPolarHBondContact CA-O 3.47Å; H50-E53 PolarHBondContact N-O 2.96Å; H50-E53 PolarHBondContact O-N 2.64Å; E53-V55 HydrophobicContact CG-CG1 4.42Å; E53-V55 PolarHBondContact O-N 2.92Å; E53-W83 PolarHBondContact OE1-NE1 3.03Å
54	V	98.6	Very high	97.7	Very high	28 Å²	28	40.4 Å²	40.4	17%	0.17	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	108.5	170.9	178.7	0	0	0	0	108	W25 L47 V49 G56 K57	W25-V54 HydrophobicContact CE3-CG2 4.01Å; W25-V54 HydrophobicContact CH2-CG2 3.91Å; W25-V54 HydrophobicContact CZ3-CG2 3.31Å; L47-V54 HydrophobicContact CD2-CG1 3.95Å; V49-V54 HydrophobicContact CG2-CG2 4.37Å; V54-G56 WeakPolarHBondContact CG1-O 3.47Å; V54-K57 HydrophobicContact CG1-CD 4.4Å; V54-K57 HydrophobicContact CG1-CG 3.58Å
55	V	98.6	Very high	97.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-15.7	-178.8	-62.4	0	0	0	0	112.6	L48 H50 E53 Q79 L80 W83 T98	L48-V55 HydrophobicContact CB-CG2 4.06Å; L48-V55 WeakPolarHBondContact O-CG2 3.39Å; L48-V55 PolarHBondContact O-N 3.41Å; H50-V55 HydrophobicContact CB-CG1 3.69Å; H50-V55 HydrophobicContact CB-CG2 4.11Å; E53-V55 HydrophobicContact CG-CG1 4.42Å; E53-V55 PolarHBondContact O-N 2.92Å; V55-Q79 CarbonylContact O-C 3.54Å; V55-L80 HydrophobicContact CG2-CB 4.37Å; V55-L80 HydrophobicContact CG2-CD1 3.73Å; V55-L80 HydrophobicContact CG2-CG 3.95Å; V55-L80 WeakPolarHBondContact O-CA 3.1Å; V55-L80 PolarHBondContact O-N 3.46Å; V55-W83 HydrophobicContact CB-CD2 4.01Å; V55-W83 HydrophobicContact CB-CE3 4.05Å; V55-W83 HydrophobicContact CB-CG 4.3Å; V55-W83 HydrophobicContact CB-CZ3 4.49Å; V55-W83 HydrophobicContact CG1-CD2 3.73Å; V55-W83 HydrophobicContact CG1-CE3 3.79Å; V55-W83 HydrophobicContact CG1-CG 4.4Å; V55-W83 HydrophobicContact CG1-CH2 3.84Å; V55-W83 HydrophobicContact CG1-CZ2 3.77Å; V55-W83 HydrophobicContact CG1-CZ3 3.83Å; V55-T98 HydrophobicContact CG2-CG2 4.46Å
56	G	98.8	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.3	172.9	0	0	0	0	0	111.9	L47 L48 V54	L47-G56 WeakPolarHBondContact CA-O 3.49Å; L48-G56 PolarHBondContact N-O 2.92Å; L48-G56 PolarHBondContact O-N 3.28Å; V54-G56 WeakPolarHBondContact CG1-O 3.47Å
57	K	98.8	Very high	97.4	Very high	87 Å²	87	54.7 Å²	54.7	38%	0.378	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.2	172.3	-56.5	-178.5	-174	171.6	0	108.8	M32 L47 V54 Q79	M32-K57 HydrophobicContact SD-CB 4.05Å; M32-K57 HydrophobicContact SD-CD 4.33Å; L47-K57 HydrophobicContact CD2-CB 4.08Å; L47-K57 HydrophobicContact CD2-CD 4.47Å; L47-K57 HydrophobicContact CD2-CG 3.71Å; V54-K57 HydrophobicContact CG1-CD 4.4Å; V54-K57 HydrophobicContact CG1-CG 3.58Å; K57-Q79 PolarHBondContact O-NE2 2.9Å; K57-Q79 PolarHBondContact O-OE1 3.07Å
58	G	98.8	Very high	97.4	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.3	-178.2	0	0	0	0	0	112	M32 G45 C46 A72	M32-G58 WeakPolarHBondContact CB-O 3.33Å; G45-G58 CarbonylContact C-O 3.55Å; G45-G58 WeakPolarHBondContact CA-O 3.37Å; C46-G58 PolarHBondContact N-O 3.2Å; C46-G58 PolarHBondContact O-N 3.48Å; G58-A72 WeakPolarHBondContact CA-O 3.22Å
59	R	98.8	Very high	97.4	Very high	32 Å²	32	60.5 Å²	60.5	12%	0.121	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.3	162.5	70.2	172.9	177.4	78.8	1.2	108.6	M32 A36 V44 E61 E64 A72	M32-R59 HydrophobicContact CB-CB 4.22Å; M32-R59 WeakPolarHBondContact O-CB 3.23Å; A36-R59 HydrophobicContact CB-CB 4Å; A36-R59 HydrophobicContact CB-CG 4.41Å; V44-R59 WeakPolarHBondContact O-CA 3.34Å; R59-E61 HydrophobicContact CG-CG 4.15Å; R59-E61 PolarHBondContact O-N 3.4Å; R59-E64 IonicContact CZ-OE2 2.66Å; R59-E64 IonicContact NH1-OE2 3.54Å; R59-E64 PolarHBondContact NH1-OE2 2.98Å; R59-E64 IonicContact NH2-OE2 3.92Å; R59-E64 PolarHBondContact NH2-OE2 3.38Å; R59-A72 WeakPolarHBondContact O-CA 3.29Å
60	N	98.6	Very high	97.3	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.059	33%	0.331	C	S	.	.			trans	-62.7	132.9	172.9	-164.1	82.3	0	0	0	110.1	E41 V42 V44 V62	E41-N60 HydrophobicContact CB-CB 4.3Å; E41-N60 WeakPolarHBondContact CB-O 3.04Å; E41-N60 VanDerWaalsContact CG-O 3.3Å; E41-N60 WeakPolarHBondContact CG-O 3.37Å; E41-N60 PolarHBondContact OE2-ND2 3.01Å; V42-N60 VanDerWaalsContact O-CB 3.22Å; V42-N60 WeakPolarHBondContact O-CB 3.37Å; V44-N60 PolarHBondContact O-N 2.96Å; V44-N60 VanDerWaalsContact O-N 3.07Å; N60-V62 PolarHBondContact ND2-N 2.89Å
61	E	98.3	Very high	97.4	Very high	46 Å²	46	62.7 Å²	62.7	22%	0.215	33%	0.332	C	S	.	.			trans	-135.4	20.9	-177.6	-66.7	176.1	-176.9	0	0	111.3	E41 R59 N63 E64 T65 R70 V75	E41-E61 WeakPolarHBondContact OE1-CA 3.36Å; R59-E61 HydrophobicContact CG-CG 4.15Å; R59-E61 PolarHBondContact O-N 3.4Å; E61-N63 PolarHBondContact O-N 2.88Å; E61-E64 PolarHBondContact O-N 2.89Å; E61-T65 HydrophobicContact CB-CG2 3.92Å; E61-T65 WeakPolarHBondContact O-CB 3.3Å; E61-T65 WeakPolarHBondContact O-CG2 3.27Å; E61-T65 PolarHBondContact O-N 3.39Å; E61-T65 PolarHBondContact O-OG1 2.85Å; E61-R70 HydrophobicContact CB-CB 4.14Å; E61-R70 PolarHBondContact N-O 3.26Å; E61-V75 HydrophobicContact CB-CG2 4.42Å; E61-V75 HydrophobicContact CG-CG2 4.29Å
62	V	98.1	Very high	97.7	Very high	34 Å²	34	60 Å²	60	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-45.5	-174.3	169.3	0	0	0	0	112.2	E41 N60 K66 N67	E41-V62 PolarHBondContact OE1-N 3.44Å; E41-V62 PolarHBondContact OE2-N 2.92Å; N60-V62 PolarHBondContact ND2-N 2.89Å; V62-K66 VanDerWaalsContact O-CA 3.3Å; V62-K66 WeakPolarHBondContact O-CA 3.27Å; V62-K66 PolarHBondContact O-N 3.24Å; V62-N67 PolarHBondContact O-N 3.11Å
63	N	95.6	Very high	98	Very high	101 Å²	101	53 Å²	53	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-72.2	-46.3	179.6	-61.4	-36.7	0	0	0	110.9	G40 E41 E61 T65 K66	G40-N63 PolarHBondContact O-ND2 2.91Å; E41-N63 VanDerWaalsContact OE1-CA 3.29Å; E41-N63 WeakPolarHBondContact OE1-CA 3.11Å; E41-N63 VanDerWaalsContact OE1-CB 3.23Å; E41-N63 WeakPolarHBondContact OE1-CB 3.49Å; E41-N63 PolarHBondContact OE1-N 3.13Å; E41-N63 PolarHBondContact OE2-N 3.05Å; E41-N63 PolarHBondContact OE2-ND2 3.34Å; E61-N63 PolarHBondContact O-N 2.88Å; N63-T65 PolarHBondContact O-N 3.49Å; N63-K66 PolarHBondContact O-N 3.45Å
64	E	96.5	Very high	98.2	Very high	122 Å²	122	49.9 Å²	49.9	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-58.8	-46.1	-178.1	-179	168.8	-168.9	0	0	111.7	E41 R59 E61	E41-E64 PolarHBondContact OE1-N 2.88Å; R59-E64 IonicContact CZ-OE2 2.66Å; R59-E64 IonicContact NH1-OE2 3.54Å; R59-E64 PolarHBondContact NH1-OE2 2.98Å; R59-E64 IonicContact NH2-OE2 3.92Å; R59-E64 PolarHBondContact NH2-OE2 3.38Å; E61-E64 PolarHBondContact O-N 2.89Å
65	T	97.1	Very high	98.2	Very high	60 Å²	60	49 Å²	49	37%	0.368	25%	0.252	S	S	.	.	H	α-helix	trans	-88.8	-9.3	-177.7	63.5	0	0	0	0	113.5	E61 N63 N67 R70	E61-T65 HydrophobicContact CB-CG2 3.92Å; E61-T65 WeakPolarHBondContact O-CB 3.3Å; E61-T65 WeakPolarHBondContact O-CG2 3.27Å; E61-T65 PolarHBondContact O-N 3.39Å; E61-T65 PolarHBondContact O-OG1 2.85Å; N63-T65 PolarHBondContact O-N 3.49Å; T65-N67 PolarHBondContact O-N 2.95Å; T65-N67 PolarHBondContact OG1-N 3.44Å; T65-R70 HydrophobicContact CG2-CB 4.43Å; T65-R70 HydrophobicContact CG2-CG 4.07Å; T65-R70 WeakPolarHBondContact OG1-CB 3.39Å; T65-R70 WeakPolarHBondContact OG1-CG 3.5Å
66	K	97	Very high	98.2	Very high	195 Å²	195	48.7 Å²	48.7	85%	0.848	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.8	-171.1	-55.7	177.5	-177.8	175.1	0	112.4	V62 N63	V62-K66 VanDerWaalsContact O-CA 3.3Å; V62-K66 WeakPolarHBondContact O-CA 3.27Å; V62-K66 PolarHBondContact O-N 3.24Å; N63-K66 PolarHBondContact O-N 3.45Å
67	N	97.8	Very high	98.2	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	25%	0.252	S	S	.	.			trans	-131	113.6	-177.5	177.9	-14.3	0	0	0	109.6	V62 T65 T69 R70	V62-N67 PolarHBondContact O-N 3.11Å; T65-N67 PolarHBondContact O-N 2.95Å; T65-N67 PolarHBondContact OG1-N 3.44Å; N67-T69 PolarHBondContact ND2-OG1 2.98Å; N67-T69 PolarHBondContact O-N 3.33Å; N67-T69 WeakPolarHBondContact OD1-CB 3.36Å; N67-T69 PolarHBondContact OD1-N 3.24Å; N67-T69 PolarHBondContact OD1-OG1 3.11Å; N67-R70 HydrophobicContact CB-CG 3.77Å; N67-R70 PolarHBondContact O-N 2.94Å
68	A	97.8	Very high	98.2	Very high	76 Å²	76	48.1 Å²	48.1	63%	0.628	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.8	-177.2	0	0	0	0	0	114.4	H71	A68-H71 PolarHBondContact O-NE2 2.71Å
69	T	98.3	Very high	98.2	Very high	48 Å²	48	51.7 Å²	51.7	29%	0.294	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.1	179.4	69.4	0	0	0	0	113.7	N67 H71 M74 M109	N67-T69 PolarHBondContact ND2-OG1 2.98Å; N67-T69 PolarHBondContact O-N 3.33Å; N67-T69 WeakPolarHBondContact OD1-CB 3.36Å; N67-T69 PolarHBondContact OD1-N 3.24Å; N67-T69 PolarHBondContact OD1-OG1 3.11Å; T69-H71 PolarHBondContact O-N 3.28Å; T69-M74 WeakPolarHBondContact O-CB 3.37Å; T69-M74 VanDerWaalsContact O-CG 3.24Å; T69-M74 WeakPolarHBondContact O-CG 3.4Å; T69-M109 HydrophobicContact CG2-SD 4.14Å
70	R	98.5	Very high	98.2	Very high	44 Å²	44	50.1 Å²	50.1	17%	0.166	26%	0.261	C	S	.	.			trans	-81.7	56.2	-175.6	-61.1	-57.7	94.2	-176.4	1.6	112.3	E61 T65 N67 V75 D78	E61-R70 HydrophobicContact CB-CB 4.14Å; E61-R70 PolarHBondContact N-O 3.26Å; T65-R70 HydrophobicContact CG2-CB 4.43Å; T65-R70 HydrophobicContact CG2-CG 4.07Å; T65-R70 WeakPolarHBondContact OG1-CB 3.39Å; T65-R70 WeakPolarHBondContact OG1-CG 3.5Å; N67-R70 HydrophobicContact CB-CG 3.77Å; N67-R70 PolarHBondContact O-N 2.94Å; R70-V75 HydrophobicContact CB-CG2 4.39Å; R70-D78 IonicContact CZ-OD2 2.83Å; R70-D78 IonicContact NH1-OD1 3Å; R70-D78 IonicContact NH1-OD2 3.44Å; R70-D78 PolarHBondContact NH1-OD2 2.89Å
71	H	98.9	Very high	98.2	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.231	27%	0.272	C	S	.	.			trans	-73.6	159.2	167.3	-65.6	-177.5	0	0	0	110.3	A68 T69 E73 M74 V75 C107 M109 C110	A68-H71 PolarHBondContact O-NE2 2.71Å; T69-H71 PolarHBondContact O-N 3.28Å; H71-E73 VanDerWaalsContact C-N 3.27Å; H71-E73 PolarHBondContact O-N 3.15Å; H71-M74 HydrophobicContact CB-CG 4.5Å; H71-M74 PolarHBondContact O-N 2.97Å; H71-V75 WeakPolarHBondContact O-CG2 3.22Å; H71-V75 PolarHBondContact O-N 2.93Å; H71-C107 PolarHBondContact ND1-SG 2.87Å; H71-C107 VanDerWaalsContact ND1-SG 3.43Å; H71-M109 HydrophobicContact CB-CE 4.23Å; H71-M109 VanDerWaalsContact ND1-CE 3.34Å; H71-M109 WeakPolarHBondContact ND1-CE 3.47Å; H71-C110 PolarHBondContact ND1-SG 2.72Å; H71-C110 VanDerWaalsContact ND1-SG 3.45Å
72	A	98.8	Very high	98.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-50.9	-46.2	-177.3	0	0	0	0	0	112.4	V44 C46 G58 R59 M74 V75 A76	V44-A72 HydrophobicContact CB-CB 4.4Å; V44-A72 HydrophobicContact CG1-CB 3.92Å; C46-A72 HydrophobicContact CB-CB 4.28Å; C46-A72 PolarHBondContact SG-O 3.4Å; G58-A72 WeakPolarHBondContact CA-O 3.22Å; R59-A72 WeakPolarHBondContact O-CA 3.29Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.92Å; A72-V75 PolarHBondContact O-N 3.44Å; A72-A76 PolarHBondContact O-N 2.62Å
73	E	98.9	Very high	98.2	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-38.4	-178.5	-52	95.3	127.9	0	0	112.2	H71 A76 L77 L100 V102 P106 C110	H71-E73 VanDerWaalsContact C-N 3.27Å; H71-E73 PolarHBondContact O-N 3.15Å; E73-A76 PolarHBondContact O-N 3.42Å; E73-L77 WeakPolarHBondContact O-CB 3.44Å; E73-L77 VanDerWaalsContact O-CG 3.26Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 2.76Å; E73-L100 HydrophobicContact CG-CD2 3.98Å; E73-V102 HydrophobicContact CG-CG2 4.38Å; E73-P106 VanDerWaalsContact OE1-CA 3.27Å; E73-P106 WeakPolarHBondContact OE1-CA 3.36Å; E73-P106 WeakPolarHBondContact OE1-CB 3.23Å; E73-C110 HydrophobicContact CB-CB 4Å; E73-C110 HydrophobicContact CG-CB 4.03Å; E73-C110 VanDerWaalsContact OE1-CB 3.3Å; E73-C110 WeakPolarHBondContact OE1-CB 3.46Å; E73-C110 PolarHBondContact OE2-SG 3Å; E73-C110 VanDerWaalsContact OE2-SG 3.33Å
74	M	98.9	Very high	98.4	Very high	34 Å²	34	49.4 Å²	49.4	17%	0.167	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-41.5	177.5	-59.7	-53.9	-60.7	0	0	111.3	T69 H71 A72 L77 D78 M109 A113	T69-M74 WeakPolarHBondContact O-CB 3.37Å; T69-M74 VanDerWaalsContact O-CG 3.24Å; T69-M74 WeakPolarHBondContact O-CG 3.4Å; H71-M74 HydrophobicContact CB-CG 4.5Å; H71-M74 PolarHBondContact O-N 2.97Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.92Å; M74-L77 PolarHBondContact O-N 3.23Å; M74-L77 HydrophobicContact SD-CD1 4.33Å; M74-D78 PolarHBondContact O-N 3.1Å; M74-M109 HydrophobicContact CG-CE 3.88Å; M74-A113 HydrophobicContact CE-CB 4.28Å; M74-A113 HydrophobicContact SD-CB 3.71Å
75	V	98.8	Very high	98.4	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-43.1	175	176	0	0	0	0	110.9	E61 R70 H71 A72 D78 Q79	E61-V75 HydrophobicContact CB-CG2 4.42Å; E61-V75 HydrophobicContact CG-CG2 4.29Å; R70-V75 HydrophobicContact CB-CG2 4.39Å; H71-V75 WeakPolarHBondContact O-CG2 3.22Å; H71-V75 PolarHBondContact O-N 2.93Å; A72-V75 PolarHBondContact O-N 3.44Å; V75-D78 PolarHBondContact O-N 3.43Å; V75-Q79 PolarHBondContact O-N 2.85Å
76	A	98.9	Very high	98.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-40.1	177.1	0	0	0	0	0	112.3	C46 L48 A72 E73 Q79 L80	C46-A76 VanDerWaalsContact SG-CB 3.51Å; L48-A76 HydrophobicContact CD1-CB 3.85Å; L48-A76 HydrophobicContact CG-CB 4.14Å; A72-A76 PolarHBondContact O-N 2.62Å; E73-A76 PolarHBondContact O-N 3.42Å; A76-Q79 PolarHBondContact O-N 3.04Å; A76-L80 PolarHBondContact O-N 2.75Å
77	L	98.8	Very high	98.5	Very high	8 Å²	8	51 Å²	51	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-41.7	176.3	-76.9	171.2	0	0	0	111.7	L48 E73 M74 Q79 L80 L81 A113 M117	L48-L77 HydrophobicContact CD1-CD2 3.74Å; L48-L77 HydrophobicContact CD1-CG 4.05Å; E73-L77 WeakPolarHBondContact O-CB 3.44Å; E73-L77 VanDerWaalsContact O-CG 3.26Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 2.76Å; M74-L77 PolarHBondContact O-N 3.23Å; M74-L77 HydrophobicContact SD-CD1 4.33Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 2.82Å; L77-L80 WeakPolarHBondContact O-CB 3.34Å; L77-L80 PolarHBondContact O-N 2.95Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.49Å; L77-A113 HydrophobicContact CD1-CB 4.09Å; L77-M117 HydrophobicContact CD1-CG 4.3Å; L77-M117 HydrophobicContact CD2-CB 4.28Å; L77-M117 HydrophobicContact CD2-CE 4.37Å; L77-M117 HydrophobicContact CD2-CG 3.98Å
78	D	98.7	Very high	98.5	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	28%	0.278	S	S	.	.	H	α-helix	trans	-58.2	-44	174.4	-70.5	-18.3	0	0	0	111.2	R70 M74 V75 L80 L81 D82	R70-D78 IonicContact CZ-OD2 2.83Å; R70-D78 IonicContact NH1-OD1 3Å; R70-D78 IonicContact NH1-OD2 3.44Å; R70-D78 PolarHBondContact NH1-OD2 2.89Å; M74-D78 PolarHBondContact O-N 3.1Å; V75-D78 PolarHBondContact O-N 3.43Å; D78-L80 PolarHBondContact O-N 3.25Å; D78-L81 PolarHBondContact O-N 3.38Å; D78-D82 PolarHBondContact O-N 2.63Å
79	Q	98.8	Very high	98.5	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-39	176.8	-69.9	-173.6	19.6	0	0	112.9	V55 K57 V75 A76 L77 D82 W83	V55-Q79 CarbonylContact O-C 3.54Å; K57-Q79 PolarHBondContact O-NE2 2.9Å; K57-Q79 PolarHBondContact O-OE1 3.07Å; V75-Q79 PolarHBondContact O-N 2.85Å; A76-Q79 PolarHBondContact O-N 3.04Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 2.82Å; Q79-D82 PolarHBondContact O-N 3.4Å; Q79-W83 WeakPolarHBondContact O-CB 3.49Å; Q79-W83 PolarHBondContact O-N 3.29Å
80	L	98.8	Very high	98.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-46.7	173.9	-179.4	158.6	0	0	0	110.5	L48 V55 A76 L77 D78 D82 W83 C84 V91 V94 C95 T98	L48-L80 HydrophobicContact CB-CD1 4.24Å; L48-L80 HydrophobicContact CD1-CB 4.03Å; L48-L80 HydrophobicContact CD1-CD1 3.85Å; L48-L80 HydrophobicContact CG-CD1 4.5Å; V55-L80 HydrophobicContact CG2-CB 4.37Å; V55-L80 HydrophobicContact CG2-CD1 3.73Å; V55-L80 HydrophobicContact CG2-CG 3.95Å; V55-L80 WeakPolarHBondContact O-CA 3.1Å; V55-L80 PolarHBondContact O-N 3.46Å; A76-L80 PolarHBondContact O-N 2.75Å; L77-L80 WeakPolarHBondContact O-CB 3.34Å; L77-L80 PolarHBondContact O-N 2.95Å; D78-L80 PolarHBondContact O-N 3.25Å; L80-D82 VanDerWaalsContact C-N 3.3Å; L80-D82 PolarHBondContact O-N 3.43Å; L80-W83 WeakPolarHBondContact O-CB 3.48Å; L80-W83 PolarHBondContact O-N 3.04Å; L80-C84 PolarHBondContact O-N 3.35Å; L80-C84 PolarHBondContact O-SG 3.22Å; L80-C84 VanDerWaalsContact O-SG 3.39Å; L80-V91 HydrophobicContact CD2-CG1 4.41Å; L80-V94 HydrophobicContact CD1-CG1 4.42Å; L80-V94 HydrophobicContact CD2-CG1 4.43Å; L80-V94 HydrophobicContact CG-CG1 4.45Å; L80-C95 VanDerWaalsContact CD2-SG 3.6Å; L80-T98 HydrophobicContact CD1-CG2 4.1Å
81	L	98.7	Very high	98.4	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-42.4	178	-69.8	174.1	0	0	0	111.5	L77 D78 C84 R85 V91 M117	L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.49Å; D78-L81 PolarHBondContact O-N 3.38Å; L81-C84 PolarHBondContact O-N 3.23Å; L81-R85 WeakPolarHBondContact O-CB 3.43Å; L81-R85 PolarHBondContact O-N 3.45Å; L81-V91 HydrophobicContact CD2-CB 4.45Å; L81-V91 HydrophobicContact CD2-CG1 3.59Å; L81-V91 HydrophobicContact CD2-CG2 3.97Å; L81-M117 HydrophobicContact CD2-CE 3.88Å
82	D	98.6	Very high	98.2	Very high	69 Å²	69	62.4 Å²	62.4	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-67.7	-36.4	176.1	-79.4	1.2	0	0	0	112.8	D78 Q79 L80 R85 R86	D78-D82 PolarHBondContact O-N 2.63Å; Q79-D82 PolarHBondContact O-N 3.4Å; L80-D82 VanDerWaalsContact C-N 3.3Å; L80-D82 PolarHBondContact O-N 3.43Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NH1 3.67Å; D82-R85 PolarHBondContact OD1-NH1 3.03Å; D82-R85 IonicContact OD1-NH2 3.39Å; D82-R86 WeakPolarHBondContact O-CB 3.5Å; D82-R86 VanDerWaalsContact O-CG 3.32Å; D82-R86 WeakPolarHBondContact O-CG 3.11Å; D82-R86 PolarHBondContact O-N 2.9Å; D82-R86 PolarHBondContact O-NE 3.13Å
83	W	98.5	Very high	98	Very high	53 Å²	53	62.8 Å²	62.8	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-48.4	173.4	179.2	93.1	0	0	0	110.8	E53 V55 Q79 L80 R85 R86 G87 L89 V94	E53-W83 PolarHBondContact OE1-NE1 3.03Å; V55-W83 HydrophobicContact CB-CD2 4.01Å; V55-W83 HydrophobicContact CB-CE3 4.05Å; V55-W83 HydrophobicContact CB-CG 4.3Å; V55-W83 HydrophobicContact CB-CZ3 4.49Å; V55-W83 HydrophobicContact CG1-CD2 3.73Å; V55-W83 HydrophobicContact CG1-CE3 3.79Å; V55-W83 HydrophobicContact CG1-CG 4.4Å; V55-W83 HydrophobicContact CG1-CH2 3.84Å; V55-W83 HydrophobicContact CG1-CZ2 3.77Å; V55-W83 HydrophobicContact CG1-CZ3 3.83Å; Q79-W83 WeakPolarHBondContact O-CB 3.49Å; Q79-W83 PolarHBondContact O-N 3.29Å; L80-W83 WeakPolarHBondContact O-CB 3.48Å; L80-W83 PolarHBondContact O-N 3.04Å; W83-R85 VanDerWaalsContact C-N 3.34Å; W83-R85 PolarHBondContact O-N 3.41Å; W83-R86 PolarHBondContact O-N 2.97Å; W83-G87 PolarHBondContact O-N 3.16Å; W83-L89 HydrophobicContact CD2-CD1 4.46Å; W83-L89 HydrophobicContact CE3-CD1 3.83Å; W83-L89 HydrophobicContact CH2-CD1 3.28Å; W83-L89 HydrophobicContact CZ2-CD1 3.99Å; W83-L89 HydrophobicContact CZ3-CD1 3.19Å; W83-V94 HydrophobicContact CE3-CG1 4.45Å; W83-V94 HydrophobicContact CZ3-CG1 3.85Å; W83-V94 HydrophobicContact CZ3-CG2 3.91Å
84	C	98.4	Very high	97.9	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-44.7	175.3	-70.6	0	0	0	0	111.9	L80 L81 R86 G87 N88 L89 V91	L80-C84 PolarHBondContact O-N 3.35Å; L80-C84 PolarHBondContact O-SG 3.22Å; L80-C84 VanDerWaalsContact O-SG 3.39Å; L81-C84 PolarHBondContact O-N 3.23Å; C84-R86 PolarHBondContact O-N 3.49Å; C84-G87 CarbonylContact O-C 3.5Å; C84-G87 PolarHBondContact O-N 3.25Å; C84-N88 PolarHBondContact O-N 2.93Å; C84-L89 HydrophobicContact CB-CB 4.29Å; C84-L89 PolarHBondContact O-N 3.2Å; C84-V91 HydrophobicContact CB-CG2 3.76Å
85	R	98.4	Very high	97.8	Very high	170 Å²	170	61.2 Å²	61.2	64%	0.642	30%	0.297	S	S	*	.	H	α-helix	trans	-60.7	-45.4	178.5	-168.9	-175.3	-56.5	112.8	7.8	111.8	L81 D82 W83 G87 N88	L81-R85 WeakPolarHBondContact O-CB 3.43Å; L81-R85 PolarHBondContact O-N 3.45Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NH1 3.67Å; D82-R85 PolarHBondContact OD1-NH1 3.03Å; D82-R85 IonicContact OD1-NH2 3.39Å; W83-R85 VanDerWaalsContact C-N 3.34Å; W83-R85 PolarHBondContact O-N 3.41Å; R85-G87 VanDerWaalsContact C-N 3.32Å; R85-G87 PolarHBondContact O-N 3.28Å; R85-N88 PolarHBondContact O-N 2.94Å
86	R	98	Very high	97.7	Very high	196 Å²	196	63 Å²	63	74%	0.74	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-35	178.5	-76.2	177.7	-73.6	178.3	-3	112.6	D82 W83 C84 N88	D82-R86 WeakPolarHBondContact O-CB 3.5Å; D82-R86 VanDerWaalsContact O-CG 3.32Å; D82-R86 WeakPolarHBondContact O-CG 3.11Å; D82-R86 PolarHBondContact O-N 2.9Å; D82-R86 PolarHBondContact O-NE 3.13Å; W83-R86 PolarHBondContact O-N 2.97Å; C84-R86 PolarHBondContact O-N 3.49Å; R86-N88 VanDerWaalsContact C-N 3.35Å
87	G	97	Very high	97.5	Very high	44 Å²	44	69.3 Å²	69.3	45%	0.454	33%	0.329	S	S	.	.	H	α-helix	trans	-84.6	-3.8	176.6	0	0	0	0	0	114.8	W83 C84 R85 L89	W83-G87 PolarHBondContact O-N 3.16Å; C84-G87 CarbonylContact O-C 3.5Å; C84-G87 PolarHBondContact O-N 3.25Å; R85-G87 VanDerWaalsContact C-N 3.32Å; R85-G87 PolarHBondContact O-N 3.28Å; G87-L89 PolarHBondContact O-N 3.2Å
88	N	97.4	Very high	97.5	Very high	153 Å²	153	68.9 Å²	68.9	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	45	-169	-167.2	53.3	0	0	0	112.5	C84 R85 R86	C84-N88 PolarHBondContact O-N 2.93Å; R85-N88 PolarHBondContact O-N 2.94Å; R86-N88 VanDerWaalsContact C-N 3.35Å
89	L	97.6	Very high	97.4	Very high	75 Å²	75	66.1 Å²	66.1	39%	0.393	31%	0.312	S	S	.	.			trans	-99.5	148.6	-176.3	-58.1	173.1	0	0	0	111.4	W83 C84 G87 V91 V94	W83-L89 HydrophobicContact CD2-CD1 4.46Å; W83-L89 HydrophobicContact CE3-CD1 3.83Å; W83-L89 HydrophobicContact CH2-CD1 3.28Å; W83-L89 HydrophobicContact CZ2-CD1 3.99Å; W83-L89 HydrophobicContact CZ3-CD1 3.19Å; C84-L89 HydrophobicContact CB-CB 4.29Å; C84-L89 PolarHBondContact O-N 3.2Å; G87-L89 PolarHBondContact O-N 3.2Å; L89-V91 PolarHBondContact O-N 3.45Å; L89-V94 HydrophobicContact CB-CG2 4.2Å; L89-V94 HydrophobicContact CD1-CG2 4.46Å
90	D	97.5	Very high	97.5	Very high	111 Å²	111	62.5 Å²	62.5	59%	0.594	30%	0.295	S	S	*	.			trans	-69.6	115.1	170.1	172.9	41.4	0	0	0	110.6	R92 G93 V94	D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 3.07Å; D90-R92 PolarHBondContact OD1-N 2.8Å; D90-G93 PolarHBondContact O-N 3.08Å; D90-G93 PolarHBondContact OD2-N 3.04Å; D90-V94 WeakPolarHBondContact O-CG2 3.29Å; D90-V94 PolarHBondContact O-N 3.21Å; D90-V94 VanDerWaalsContact O-N 3.11Å
91	V	97.6	Very high	97.5	Very high	46 Å²	46	62.7 Å²	62.7	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-43.4	-178.2	173.4	0	0	0	0	111.2	L80 L81 C84 L89 V94 C95 M117	L80-V91 HydrophobicContact CD2-CG1 4.41Å; L81-V91 HydrophobicContact CD2-CB 4.45Å; L81-V91 HydrophobicContact CD2-CG1 3.59Å; L81-V91 HydrophobicContact CD2-CG2 3.97Å; C84-V91 HydrophobicContact CB-CG2 3.76Å; L89-V91 PolarHBondContact O-N 3.45Å; V91-V94 PolarHBondContact O-N 3.35Å; V91-C95 PolarHBondContact O-N 3.49Å; V91-C95 PolarHBondContact O-SG 3.32Å; V91-M117 HydrophobicContact CG1-CE 3.65Å
92	R	94.6	Very high	97.5	Very high	137 Å²	137	60.2 Å²	60.2	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-50	-176.2	-177.2	178.1	172.4	179.2	3.5	110.7	D90 V94 C95 E96	D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 3.07Å; D90-R92 PolarHBondContact OD1-N 2.8Å; R92-V94 PolarHBondContact O-N 3.41Å; R92-C95 PolarHBondContact O-N 2.87Å; R92-E96 HydrophobicContact CG-CG 4.4Å; R92-E96 WeakPolarHBondContact CG-OE1 3.42Å; R92-E96 IonicContact CZ-OE1 2.56Å; R92-E96 IonicContact NE-OE1 3.51Å; R92-E96 PolarHBondContact NE-OE1 2.91Å; R92-E96 IonicContact NH2-OE1 2.76Å; R92-E96 PolarHBondContact NH2-OE1 3.03Å; R92-E96 WeakPolarHBondContact O-CB 3.33Å; R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.44Å
93	G	94.7	Very high	97.5	Very high	9 Å²	9	57 Å²	57	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-26.5	177.2	0	0	0	0	0	114	D90 R97	D90-G93 PolarHBondContact O-N 3.08Å; D90-G93 PolarHBondContact OD2-N 3.04Å; G93-R97 PolarHBondContact O-NE 2.94Å; G93-R97 PolarHBondContact O-NH2 2.87Å
94	V	97.3	Very high	97.5	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-72.6	-50.8	172.2	170.4	0	0	0	0	110.7	H50 L80 W83 L89 D90 V91 R92 E96 R97 T98	H50-V94 HydrophobicContact CB-CG1 4.49Å; H50-V94 PolarHBondContact CE1-O 2.66Å; H50-V94 PolarHBondContact ND1-O 2.56Å; L80-V94 HydrophobicContact CD1-CG1 4.42Å; L80-V94 HydrophobicContact CD2-CG1 4.43Å; L80-V94 HydrophobicContact CG-CG1 4.45Å; W83-V94 HydrophobicContact CE3-CG1 4.45Å; W83-V94 HydrophobicContact CZ3-CG1 3.85Å; W83-V94 HydrophobicContact CZ3-CG2 3.91Å; L89-V94 HydrophobicContact CB-CG2 4.2Å; L89-V94 HydrophobicContact CD1-CG2 4.46Å; D90-V94 WeakPolarHBondContact O-CG2 3.29Å; D90-V94 PolarHBondContact O-N 3.21Å; D90-V94 VanDerWaalsContact O-N 3.11Å; V91-V94 PolarHBondContact O-N 3.35Å; R92-V94 PolarHBondContact O-N 3.41Å; V94-E96 PolarHBondContact O-N 2.83Å; V94-R97 CarbonylContact O-C 3.43Å; V94-R97 PolarHBondContact O-N 3.07Å; V94-R97 VanDerWaalsContact O-N 3.11Å; V94-T98 PolarHBondContact O-N 3.09Å; V94-T98 PolarHBondContact O-OG1 3.12Å
95	C	97	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-36.9	-177	-70.3	0	0	0	0	113.3	L80 V91 R92 R97 T98 M117 N118 V119 P120	L80-C95 VanDerWaalsContact CD2-SG 3.6Å; V91-C95 PolarHBondContact O-N 3.49Å; V91-C95 PolarHBondContact O-SG 3.32Å; R92-C95 PolarHBondContact O-N 2.87Å; C95-R97 PolarHBondContact O-N 2.82Å; C95-T98 WeakPolarHBondContact O-CB 3.21Å; C95-T98 PolarHBondContact O-N 2.92Å; C95-M117 WeakPolarHBondContact CB-O 3.39Å; C95-N118 CarbonylContact C-O 3.59Å; C95-V119 HydrophobicContact CB-CG2 4.31Å; C95-P120 WeakPolarHBondContact O-CD 3.26Å
96	E	95.8	Very high	97.5	Very high	48 Å²	48	46.8 Å²	46.8	22%	0.224	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.6	175	-75.2	176.1	176.7	0	0	113.3	L11 R92 V94 N118 P120	L11-E96 WeakPolarHBondContact CD2-O 3.14Å; R92-E96 HydrophobicContact CG-CG 4.4Å; R92-E96 WeakPolarHBondContact CG-OE1 3.42Å; R92-E96 IonicContact CZ-OE1 2.56Å; R92-E96 IonicContact NE-OE1 3.51Å; R92-E96 PolarHBondContact NE-OE1 2.91Å; R92-E96 IonicContact NH2-OE1 2.76Å; R92-E96 PolarHBondContact NH2-OE1 3.03Å; R92-E96 WeakPolarHBondContact O-CB 3.33Å; R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.44Å; V94-E96 PolarHBondContact O-N 2.83Å; E96-N118 WeakPolarHBondContact CA-O 3.18Å; E96-N118 HydrophobicContact CG-CB 3.81Å; E96-P120 WeakPolarHBondContact O-CG 3.47Å
97	R	95.9	Very high	97.6	Very high	131 Å²	131	38.1 Å²	38.1	49%	0.494	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	23.5	175.7	-64.8	-178.5	-72.9	-107.6	-3.2	112.8	F15 H50 G93 V94 C95	F15-R97 HydrophobicContact CE2-CB 4.27Å; F15-R97 WeakPolarHBondContact CE2-O 3.22Å; H50-R97 PolarHBondContact ND1-O 2.76Å; G93-R97 PolarHBondContact O-NE 2.94Å; G93-R97 PolarHBondContact O-NH2 2.87Å; V94-R97 CarbonylContact O-C 3.43Å; V94-R97 PolarHBondContact O-N 3.07Å; V94-R97 VanDerWaalsContact O-N 3.11Å; C95-R97 PolarHBondContact O-N 2.82Å
98	T	97.6	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.1	-179	-64.5	0	0	0	0	110.9	L48 V49 V55 L80 V94 C95 P120	L48-T98 HydrophobicContact CB-CG2 3.78Å; L48-T98 HydrophobicContact CD2-CG2 3.64Å; L48-T98 HydrophobicContact CG-CG2 4.28Å; V49-T98 CarbonylContact O-C 3.55Å; V49-T98 VanDerWaalsContact O-CA 3.3Å; V49-T98 WeakPolarHBondContact O-CA 3.05Å; V55-T98 HydrophobicContact CG2-CG2 4.46Å; L80-T98 HydrophobicContact CD1-CG2 4.1Å; V94-T98 PolarHBondContact O-N 3.09Å; V94-T98 PolarHBondContact O-OG1 3.12Å; C95-T98 WeakPolarHBondContact O-CB 3.21Å; C95-T98 PolarHBondContact O-N 2.92Å; T98-P120 VanDerWaalsContact O-CD 3.32Å; T98-P120 WeakPolarHBondContact O-CD 3.4Å
99	V	98.5	Very high	97.7	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.9	172.4	-172.3	0	0	0	0	108.9	F15 V17 L48 V49 Y101 L121 V123	F15-V99 HydrophobicContact CE1-CG2 3.5Å; F15-V99 HydrophobicContact CE2-CG2 4.42Å; F15-V99 HydrophobicContact CZ-CG2 3.37Å; V17-V99 HydrophobicContact CG1-CG2 3.82Å; L48-V99 WeakPolarHBondContact CA-O 3.21Å; V49-V99 PolarHBondContact N-O 3.39Å; V49-V99 PolarHBondContact O-N 2.98Å; V99-Y101 HydrophobicContact CB-CD2 4.41Å; V99-Y101 HydrophobicContact CB-CE2 3.72Å; V99-Y101 HydrophobicContact CG1-CD2 4.12Å; V99-Y101 HydrophobicContact CG1-CE1 4.1Å; V99-Y101 HydrophobicContact CG1-CE2 3.55Å; V99-L121 HydrophobicContact CG1-CB 4.24Å; V99-L121 HydrophobicContact CG1-CD2 3.93Å; V99-L121 HydrophobicContact CG1-CG 4.01Å; V99-L121 HydrophobicContact CG2-CD2 4.2Å; V99-V123 HydrophobicContact CG1-CG2 4.07Å
100	L	98.8	Very high	97.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129	166.7	177.5	66.5	0	0	0	109.6	C46 L47 L48 E73 V102 P106 L114 V119 L121 V122 V123	C46-L100 HydrophobicContact CB-CD1 3.82Å; L47-L100 WeakPolarHBondContact O-CA 3.45Å; L48-L100 HydrophobicContact CD2-CB 4.01Å; L48-L100 HydrophobicContact CD2-CD1 3.93Å; L48-L100 HydrophobicContact CG-CD1 4.21Å; E73-L100 HydrophobicContact CG-CD2 3.98Å; L100-V102 HydrophobicContact CD1-CB 4.49Å; L100-V102 HydrophobicContact CD2-CB 4.39Å; L100-V102 HydrophobicContact CD2-CG1 4.12Å; L100-V102 HydrophobicContact CG-CB 4.27Å; L100-V102 HydrophobicContact CG-CG1 4.27Å; L100-P106 HydrophobicContact CD2-CG 4.36Å; L100-L114 HydrophobicContact CD2-CD1 3.47Å; L100-L114 VanDerWaalsContact CD2-CD1 3.47Å; L100-L114 HydrophobicContact CD2-CD2 3.85Å; L100-L114 HydrophobicContact CD2-CG 4.29Å; L100-V119 HydrophobicContact CB-CG1 4.38Å; L100-L121 PolarHBondContact N-O 3.49Å; L100-V122 HydrophobicContact CB-CG1 4.44Å; L100-V122 HydrophobicContact CB-CG2 4.22Å; L100-V122 HydrophobicContact CD2-CG1 3.95Å; L100-V122 HydrophobicContact CD2-CG2 4.19Å; L100-V122 HydrophobicContact CG-CG1 4.35Å; L100-V122 WeakPolarHBondContact O-CA 3.36Å; L100-V123 PolarHBondContact O-N 3.07Å
101	Y	98.9	Very high	97.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.1	165.7	-61	-88.2	0	0	0	108.3	M22 W25 C46 L47 V49 V99 V123	M22-Y101 HydrophobicContact CB-CE1 4.32Å; M22-Y101 HydrophobicContact CG-CE1 4.09Å; W25-Y101 HydrophobicContact CB-CD1 3.83Å; W25-Y101 HydrophobicContact CB-CD2 3.52Å; W25-Y101 HydrophobicContact CB-CE1 3.94Å; W25-Y101 HydrophobicContact CB-CE2 3.59Å; W25-Y101 HydrophobicContact CB-CG 3.63Å; W25-Y101 AromaticContact CD1-CE2 3.63Å; W25-Y101 AromaticContact CD1-CZ 3.62Å; W25-Y101 HydrophobicContact CG-CD2 4.13Å; W25-Y101 AromaticContact CG-CE2 3.77Å; W25-Y101 HydrophobicContact CG-CE2 3.77Å; C46-Y101 CarbonylContact C-O 3.54Å; C46-Y101 WeakPolarHBondContact CA-O 3.41Å; C46-Y101 VanDerWaalsContact CB-O 3.23Å; C46-Y101 WeakPolarHBondContact CB-O 3.39Å; L47-Y101 PolarHBondContact N-O 3.5Å; L47-Y101 PolarHBondContact O-N 3.17Å; V49-Y101 HydrophobicContact CB-CD2 4.35Å; V49-Y101 HydrophobicContact CB-CE2 3.96Å; V49-Y101 HydrophobicContact CG2-CD2 3.73Å; V49-Y101 HydrophobicContact CG2-CE2 3.73Å; V99-Y101 HydrophobicContact CB-CD2 4.41Å; V99-Y101 HydrophobicContact CB-CE2 3.72Å; V99-Y101 HydrophobicContact CG1-CD2 4.12Å; V99-Y101 HydrophobicContact CG1-CE1 4.1Å; V99-Y101 HydrophobicContact CG1-CE2 3.55Å; Y101-V123 WeakPolarHBondContact CA-O 3.5Å; Y101-V123 HydrophobicContact CD1-CB 3.64Å; Y101-V123 HydrophobicContact CD1-CG1 4.02Å; Y101-V123 HydrophobicContact CD1-CG2 3.96Å; Y101-V123 HydrophobicContact CE1-CB 3.91Å; Y101-V123 HydrophobicContact CE1-CG1 4.28Å; Y101-V123 HydrophobicContact CE1-CG2 3.69Å
102	V	98.9	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.8	-175.8	60.2	0	0	0	0	111.8	M26 V44 G45 C46 E73 L100 V104 P106 V122 V123 Y124 G125	M26-V102 WeakPolarHBondContact CE-O 3.28Å; V44-V102 HydrophobicContact CG1-CG2 3.95Å; G45-V102 WeakPolarHBondContact O-CA 3.46Å; C46-V102 HydrophobicContact CB-CB 3.69Å; C46-V102 HydrophobicContact CB-CG2 3.75Å; E73-V102 HydrophobicContact CG-CG2 4.38Å; L100-V102 HydrophobicContact CD1-CB 4.49Å; L100-V102 HydrophobicContact CD2-CB 4.39Å; L100-V102 HydrophobicContact CD2-CG1 4.12Å; L100-V102 HydrophobicContact CG-CB 4.27Å; L100-V102 HydrophobicContact CG-CG1 4.27Å; V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 WeakPolarHBondContact CG1-O 3.07Å; V102-V104 VanDerWaalsContact CG2-O 3.29Å; V102-V104 WeakPolarHBondContact CG2-O 3.46Å; V102-V104 PolarHBondContact O-N 3.08Å; V102-P106 HydrophobicContact CG1-CG 4.11Å; V102-V122 HydrophobicContact CG1-CG1 4.11Å; V102-V123 PolarHBondContact N-O 3.01Å; V102-Y124 CarbonylContact O-C 3.5Å; V102-Y124 WeakPolarHBondContact O-CA 3.48Å; V102-G125 PolarHBondContact O-N 3.42Å; V102-G125 VanDerWaalsContact O-N 3.08Å
103	T	98.9	Very high	98	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-25	-174.3	55	0	0	0	0	113.9	M26 A29 F30 A33 V44 G45 G125 C126 A163	M26-T103 HydrophobicContact SD-CG2 4.46Å; A29-T103 HydrophobicContact CB-CG2 4.31Å; F30-T103 HydrophobicContact CB-CG2 4.43Å; F30-T103 HydrophobicContact CD1-CG2 3.81Å; F30-T103 HydrophobicContact CD2-CG2 3.79Å; F30-T103 HydrophobicContact CE1-CG2 3.92Å; F30-T103 HydrophobicContact CE2-CG2 3.87Å; F30-T103 HydrophobicContact CG-CG2 3.75Å; F30-T103 HydrophobicContact CZ-CG2 3.95Å; A33-T103 HydrophobicContact CB-CG2 3.87Å; V44-T103 WeakPolarHBondContact CA-OG1 3.32Å; G45-T103 PolarHBondContact N-OG1 3.21Å; G45-T103 VanDerWaalsContact N-OG1 3.13Å; G45-T103 PolarHBondContact O-N 2.95Å; G45-T103 PolarHBondContact O-OG1 2.8Å; T103-G125 VanDerWaalsContact O-CA 3.26Å; T103-G125 WeakPolarHBondContact O-CA 3.29Å; T103-G125 PolarHBondContact O-N 2.92Å; T103-C126 PolarHBondContact O-N 3.24Å; T103-A163 WeakPolarHBondContact O-CB 3.42Å
104	V	98.8	Very high	98.2	Very high	8 Å²	8	19 Å²	19	5%	0.048	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.1	-179.2	-177.6	0	0	0	0	108.9	V44 V102 N128 L167	V44-V104 HydrophobicContact CG1-CB 4.39Å; V44-V104 HydrophobicContact CG2-CB 4.23Å; V44-V104 HydrophobicContact CG2-CG2 3.96Å; V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 WeakPolarHBondContact CG1-O 3.07Å; V102-V104 VanDerWaalsContact CG2-O 3.29Å; V102-V104 WeakPolarHBondContact CG2-O 3.46Å; V102-V104 PolarHBondContact O-N 3.08Å; V104-N128 HydrophobicContact CG1-CB 3.99Å; V104-L167 HydrophobicContact CG2-CD1 3.94Å; V104-L167 HydrophobicContact CG2-CD2 4.47Å; V104-L167 HydrophobicContact CG2-CG 4.38Å
105	E	98.9	Very high	98.2	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-49	129.8	174.9	-176.7	-164.1	166.2	0	0	111.5	C107 Y124 C126 N128 G132 C134 G135 S136	E105-C107 PolarHBondContact O-N 3.02Å; E105-Y124 HydrophobicContact CB-CD2 3.85Å; E105-Y124 HydrophobicContact CB-CE2 3.8Å; E105-Y124 HydrophobicContact CB-CG 4.26Å; E105-Y124 HydrophobicContact CG-CE1 4.15Å; E105-Y124 HydrophobicContact CG-CE2 4.14Å; E105-C126 PolarHBondContact N-O 3.05Å; E105-N128 HydrophobicContact CB-CB 3.79Å; E105-N128 HydrophobicContact CG-CB 4.45Å; E105-N128 WeakPolarHBondContact O-CB 3.48Å; E105-N128 PolarHBondContact O-ND2 2.94Å; E105-N128 PolarHBondContact OE2-N 3.5Å; E105-G132 WeakPolarHBondContact OE1-CA 3.34Å; E105-C134 HydrophobicContact CG-CB 3.8Å; E105-C134 WeakPolarHBondContact OE1-CA 3.45Å; E105-C134 PolarHBondContact OE1-N 2.95Å; E105-G135 PolarHBondContact OE1-N 3.3Å; E105-S136 PolarHBondContact OE1-N 3.29Å; E105-S136 VanDerWaalsContact OE1-N 3.16Å; E105-S136 WeakPolarHBondContact OE2-CB 3.48Å; E105-S136 PolarHBondContact OE2-OG 2.96Å
106	P	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-54.3	139.1	178.4	-26.7	33.7	0	0	0	112.4	E73 L100 V102 C110 A111 L114 V122 G133	E73-P106 VanDerWaalsContact OE1-CA 3.27Å; E73-P106 WeakPolarHBondContact OE1-CA 3.36Å; E73-P106 WeakPolarHBondContact OE1-CB 3.23Å; L100-P106 HydrophobicContact CD2-CG 4.36Å; V102-P106 HydrophobicContact CG1-CG 4.11Å; P106-C110 HydrophobicContact CB-CB 3.93Å; P106-A111 HydrophobicContact CB-CB 4.41Å; P106-L114 HydrophobicContact CB-CD1 4.33Å; P106-L114 HydrophobicContact CG-CD1 4.12Å; P106-V122 HydrophobicContact CG-CG1 3.96Å; P106-G133 PolarHBondContact O-N 3.32Å
107	C	98.9	Very high	98.2	Very high	14 Å²	14	24.2 Å²	24.2	10%	0.095	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-72.6	169.6	172.6	76.6	0	0	0	0	111.5	H71 E105 M109 C110 A111 F131	H71-C107 PolarHBondContact ND1-SG 2.87Å; H71-C107 VanDerWaalsContact ND1-SG 3.43Å; E105-C107 PolarHBondContact O-N 3.02Å; C107-M109 PolarHBondContact O-N 3Å; C107-M109 VanDerWaalsContact O-N 3.15Å; C107-C110 PolarHBondContact O-N 3.07Å; C107-C110 VanDerWaalsContact SG-SG 3.62Å; C107-A111 WeakPolarHBondContact O-CB 3.5Å; C107-A111 PolarHBondContact O-N 3.33Å; C107-F131 CarbonylContact C-O 3.52Å; C107-F131 WeakPolarHBondContact CA-O 3.31Å; C107-F131 HydrophobicContact CB-CB 3.96Å; C107-F131 WeakPolarHBondContact CB-O 3.39Å
108	V	98.6	Very high	98.2	Very high	53 Å²	53	19.1 Å²	19.1	32%	0.321	11%	0.109	S	C	.	.	H	α-helix	trans	-47.3	-44.8	177.2	179	0	0	0	0	113	A112 F131 L138 L140	V108-A112 WeakPolarHBondContact O-CB 3.48Å; V108-A112 PolarHBondContact O-N 3.01Å; V108-F131 PolarHBondContact N-O 3.4Å; V108-L138 HydrophobicContact CG1-CD1 4.25Å; V108-L138 HydrophobicContact CG2-CB 4.38Å; V108-L138 HydrophobicContact CG2-CD1 3.92Å; V108-L138 HydrophobicContact CG2-CG 4.4Å; V108-L140 HydrophobicContact CG1-CD1 3.8Å; V108-L140 WeakPolarHBondContact O-CD1 3.15Å
109	M	98.6	Very high	98.1	Very high	68 Å²	68	19.1 Å²	19.1	34%	0.335	11%	0.109	S	C	.	.	H	α-helix	trans	-63.3	-50.4	178.3	178.9	-169.6	70.6	0	0	111.8	T69 H71 M74 C107 A112 A113	T69-M109 HydrophobicContact CG2-SD 4.14Å; H71-M109 HydrophobicContact CB-CE 4.23Å; H71-M109 VanDerWaalsContact ND1-CE 3.34Å; H71-M109 WeakPolarHBondContact ND1-CE 3.47Å; M74-M109 HydrophobicContact CG-CE 3.88Å; C107-M109 PolarHBondContact O-N 3Å; C107-M109 VanDerWaalsContact O-N 3.15Å; M109-A112 PolarHBondContact O-N 3.41Å; M109-A113 PolarHBondContact O-N 3.37Å
110	C	98.8	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-41.4	-178.2	-61.7	0	0	0	0	111.2	H71 E73 P106 C107 A112 A113 L114	H71-C110 PolarHBondContact ND1-SG 2.72Å; H71-C110 VanDerWaalsContact ND1-SG 3.45Å; E73-C110 HydrophobicContact CB-CB 4Å; E73-C110 HydrophobicContact CG-CB 4.03Å; E73-C110 VanDerWaalsContact OE1-CB 3.3Å; E73-C110 WeakPolarHBondContact OE1-CB 3.46Å; E73-C110 PolarHBondContact OE2-SG 3Å; E73-C110 VanDerWaalsContact OE2-SG 3.33Å; P106-C110 HydrophobicContact CB-CB 3.93Å; C107-C110 PolarHBondContact O-N 3.07Å; C107-C110 VanDerWaalsContact SG-SG 3.62Å; C110-A112 PolarHBondContact O-N 3.24Å; C110-A113 PolarHBondContact O-N 3.06Å; C110-L114 VanDerWaalsContact O-CG 3.25Å; C110-L114 WeakPolarHBondContact O-CG 3.3Å; C110-L114 PolarHBondContact O-N 2.77Å
111	A	98.6	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-44.6	175.2	0	0	0	0	0	111.8	P106 C107 A113 L114 R115 L140 F152	P106-A111 HydrophobicContact CB-CB 4.41Å; C107-A111 WeakPolarHBondContact O-CB 3.5Å; C107-A111 PolarHBondContact O-N 3.33Å; A111-A113 PolarHBondContact O-N 3.35Å; A111-L114 PolarHBondContact O-N 3.43Å; A111-R115 PolarHBondContact O-N 3.19Å; A111-R115 VanDerWaalsContact O-N 3.14Å; A111-L140 HydrophobicContact CB-CB 4.12Å; A111-L140 HydrophobicContact CB-CD1 4.21Å; A111-F152 HydrophobicContact CB-CZ 4.25Å
112	A	98.1	Very high	98	Very high	36 Å²	36	20.1 Å²	20.1	30%	0.298	12%	0.116	S	C	.	.	H	α-helix	trans	-61.5	-42.3	174.6	0	0	0	0	0	112.3	V108 M109 C110 L114 R115 L116 L140	V108-A112 WeakPolarHBondContact O-CB 3.48Å; V108-A112 PolarHBondContact O-N 3.01Å; M109-A112 PolarHBondContact O-N 3.41Å; C110-A112 PolarHBondContact O-N 3.24Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 2.97Å; A112-R115 PolarHBondContact O-N 3.37Å; A112-L116 WeakPolarHBondContact O-CG 3.3Å; A112-L116 PolarHBondContact O-N 3.29Å; A112-L116 VanDerWaalsContact O-N 3.11Å; A112-L140 HydrophobicContact CB-CD1 4.01Å
113	A	98.4	Very high	98	Very high	16 Å²	16	20.1 Å²	20.1	13%	0.132	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.3	0	0	0	0	0	111.9	M74 L77 M109 C110 A111 R115 L116 M117	M74-A113 HydrophobicContact CE-CB 4.28Å; M74-A113 HydrophobicContact SD-CB 3.71Å; L77-A113 HydrophobicContact CD1-CB 4.09Å; M109-A113 PolarHBondContact O-N 3.37Å; C110-A113 PolarHBondContact O-N 3.06Å; A111-A113 PolarHBondContact O-N 3.35Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.25Å; A113-L116 PolarHBondContact O-N 3.33Å; A113-M117 WeakPolarHBondContact O-CB 3.21Å; A113-M117 WeakPolarHBondContact O-CG 3.1Å; A113-M117 PolarHBondContact O-N 3.48Å
114	L	98.1	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-37.8	178.1	-66.9	163.7	0	0	0	112.5	L100 P106 C110 A111 A112 M117 N118 V119 V122 F152	L100-L114 HydrophobicContact CD2-CD1 3.47Å; L100-L114 VanDerWaalsContact CD2-CD1 3.47Å; L100-L114 HydrophobicContact CD2-CD2 3.85Å; L100-L114 HydrophobicContact CD2-CG 4.29Å; P106-L114 HydrophobicContact CB-CD1 4.33Å; P106-L114 HydrophobicContact CG-CD1 4.12Å; C110-L114 VanDerWaalsContact O-CG 3.25Å; C110-L114 WeakPolarHBondContact O-CG 3.3Å; C110-L114 PolarHBondContact O-N 2.77Å; A111-L114 PolarHBondContact O-N 3.43Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 2.97Å; L114-M117 PolarHBondContact O-N 3.43Å; L114-N118 PolarHBondContact O-N 2.86Å; L114-N118 VanDerWaalsContact O-N 3.12Å; L114-V119 HydrophobicContact CB-CB 4.41Å; L114-V119 HydrophobicContact CD2-CB 4.02Å; L114-V119 HydrophobicContact CD2-CG1 4.21Å; L114-V119 HydrophobicContact CD2-CG2 3.91Å; L114-V119 PolarHBondContact O-N 2.68Å; L114-V122 HydrophobicContact CD1-CG2 3.97Å; L114-F152 HydrophobicContact CB-CE1 4.16Å
115	R	96.8	Very high	97.9	Very high	9 Å²	9	20.5 Å²	20.5	3%	0.034	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-47.5	172.8	-65	-177.8	66.2	100.4	-0.8	112.2	A111 A112 A113 M117 N118 L140 A143 T148 G149 T150 F152	A111-R115 PolarHBondContact O-N 3.19Å; A111-R115 VanDerWaalsContact O-N 3.14Å; A112-R115 PolarHBondContact O-N 3.37Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.25Å; R115-M117 PolarHBondContact O-N 3.14Å; R115-N118 PolarHBondContact O-N 2.98Å; R115-N118 VanDerWaalsContact O-N 3.09Å; R115-L140 VanDerWaalsContact CD-O 3.26Å; R115-L140 WeakPolarHBondContact CD-O 3.42Å; R115-L140 PolarHBondContact NH1-O 3.48Å; R115-A143 PolarHBondContact NH1-O 3.48Å; R115-A143 PolarHBondContact NH2-O 3.24Å; R115-T148 VanDerWaalsContact CB-O 3.23Å; R115-T148 WeakPolarHBondContact CB-O 3.25Å; R115-T148 PolarHBondContact NE-O 2.93Å; R115-T148 PolarHBondContact NE-OG1 3.11Å; R115-T148 PolarHBondContact NH2-OG1 3.47Å; R115-G149 PolarHBondContact NH2-O 3.01Å; R115-G149 VanDerWaalsContact NH2-O 3.13Å; R115-T150 WeakPolarHBondContact CA-O 3.37Å; R115-T150 WeakPolarHBondContact CB-O 3.4Å; R115-T150 WeakPolarHBondContact CG-O 3.44Å; R115-T150 PolarHBondContact O-N 3.32Å; R115-F152 HydrophobicContact CG-CD1 3.9Å; R115-F152 HydrophobicContact CG-CE1 3.71Å
116	L	96.8	Very high	97.9	Very high	114 Å²	114	20.7 Å²	20.7	60%	0.597	12%	0.118	S	C	*	.	H	α-helix	trans	-64.4	-28	179.9	-70.3	172.3	0	0	0	112.3	A112 A113 N118	A112-L116 WeakPolarHBondContact O-CG 3.3Å; A112-L116 PolarHBondContact O-N 3.29Å; A112-L116 VanDerWaalsContact O-N 3.11Å; A113-L116 PolarHBondContact O-N 3.33Å; L116-N118 PolarHBondContact O-OD1 2.95Å
117	M	96.5	Very high	97.9	Very high	42 Å²	42	23.7 Å²	23.7	21%	0.207	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.4	176.7	-66.6	-61.6	-60.9	0	0	113.1	L77 L81 V91 C95 A113 L114 R115 V119	L77-M117 HydrophobicContact CD1-CG 4.3Å; L77-M117 HydrophobicContact CD2-CB 4.28Å; L77-M117 HydrophobicContact CD2-CE 4.37Å; L77-M117 HydrophobicContact CD2-CG 3.98Å; L81-M117 HydrophobicContact CD2-CE 3.88Å; V91-M117 HydrophobicContact CG1-CE 3.65Å; C95-M117 WeakPolarHBondContact CB-O 3.39Å; A113-M117 WeakPolarHBondContact O-CB 3.21Å; A113-M117 WeakPolarHBondContact O-CG 3.1Å; A113-M117 PolarHBondContact O-N 3.48Å; L114-M117 PolarHBondContact O-N 3.43Å; R115-M117 PolarHBondContact O-N 3.14Å; M117-V119 VanDerWaalsContact C-N 3.33Å; M117-V119 HydrophobicContact CB-CG2 4.27Å; M117-V119 PolarHBondContact O-N 2.92Å
118	N	95.3	Very high	97.9	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	36.2	-178.2	-62.7	46.8	0	0	0	114.2	C95 E96 L114 R115 L116 P120 T150	C95-N118 CarbonylContact C-O 3.59Å; E96-N118 WeakPolarHBondContact CA-O 3.18Å; E96-N118 HydrophobicContact CG-CB 3.81Å; L114-N118 PolarHBondContact O-N 2.86Å; L114-N118 VanDerWaalsContact O-N 3.12Å; R115-N118 PolarHBondContact O-N 2.98Å; R115-N118 VanDerWaalsContact O-N 3.09Å; L116-N118 PolarHBondContact O-OD1 2.95Å; N118-P120 VanDerWaalsContact O-CD 3.28Å; N118-P120 WeakPolarHBondContact O-CD 3.44Å; N118-T150 WeakPolarHBondContact CA-OG1 3.45Å
119	V	96.9	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.			trans	-76	116	173.8	176.2	0	0	0	0	109.2	C95 L100 L114 M117 F152	C95-V119 HydrophobicContact CB-CG2 4.31Å; L100-V119 HydrophobicContact CB-CG1 4.38Å; L114-V119 HydrophobicContact CB-CB 4.41Å; L114-V119 HydrophobicContact CD2-CB 4.02Å; L114-V119 HydrophobicContact CD2-CG1 4.21Å; L114-V119 HydrophobicContact CD2-CG2 3.91Å; L114-V119 PolarHBondContact O-N 2.68Å; M117-V119 VanDerWaalsContact C-N 3.33Å; M117-V119 HydrophobicContact CB-CG2 4.27Å; M117-V119 PolarHBondContact O-N 2.92Å; V119-F152 WeakPolarHBondContact O-CB 3.42Å
120	P	96.4	Very high	97.5	Very high	30 Å²	30	35.9 Å²	35.9	20%	0.195	18%	0.184	C	C	.	.			trans	-81.7	-18.9	-168.6	32.6	-41.4	0	0	0	115.3	F15 C95 E96 T98 N118 R153	F15-P120 HydrophobicContact CD1-CB 4.41Å; F15-P120 HydrophobicContact CD1-CG 3.84Å; F15-P120 HydrophobicContact CE1-CB 4.42Å; F15-P120 HydrophobicContact CE1-CG 3.46Å; F15-P120 VanDerWaalsContact CE1-CG 3.46Å; F15-P120 HydrophobicContact CZ-CG 3.96Å; C95-P120 WeakPolarHBondContact O-CD 3.26Å; E96-P120 WeakPolarHBondContact O-CG 3.47Å; T98-P120 VanDerWaalsContact O-CD 3.32Å; T98-P120 WeakPolarHBondContact O-CD 3.4Å; N118-P120 VanDerWaalsContact O-CD 3.28Å; N118-P120 WeakPolarHBondContact O-CD 3.44Å; P120-R153 PolarHBondContact O-N 3.49Å
121	L	97.8	Very high	97.5	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.8	-173.1	-176.1	62.7	0	0	0	112	F15 V17 V99 L100 V123 R153 V155	F15-L121 HydrophobicContact CD1-CB 4.17Å; F15-L121 HydrophobicContact CD1-CD2 4.44Å; F15-L121 HydrophobicContact CE1-CB 3.79Å; F15-L121 HydrophobicContact CE1-CD2 4.32Å; V17-L121 HydrophobicContact CG1-CD2 4.02Å; V17-L121 HydrophobicContact CG2-CD2 3.72Å; V99-L121 HydrophobicContact CG1-CB 4.24Å; V99-L121 HydrophobicContact CG1-CD2 3.93Å; V99-L121 HydrophobicContact CG1-CG 4.01Å; V99-L121 HydrophobicContact CG2-CD2 4.2Å; L100-L121 PolarHBondContact N-O 3.49Å; L121-V123 HydrophobicContact CG-CG2 4.41Å; L121-R153 WeakPolarHBondContact CA-O 3.47Å; L121-R153 HydrophobicContact CD1-CB 3.91Å; L121-V155 HydrophobicContact CD1-CG2 4Å
122	V	98.5	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.5	173.7	-178.8	0	0	0	0	109.3	L100 V102 P106 L114 Y124 F152 R153 C154 V155	L100-V122 HydrophobicContact CB-CG1 4.44Å; L100-V122 HydrophobicContact CB-CG2 4.22Å; L100-V122 HydrophobicContact CD2-CG1 3.95Å; L100-V122 HydrophobicContact CD2-CG2 4.19Å; L100-V122 HydrophobicContact CG-CG1 4.35Å; L100-V122 WeakPolarHBondContact O-CA 3.36Å; V102-V122 HydrophobicContact CG1-CG1 4.11Å; P106-V122 HydrophobicContact CG-CG1 3.96Å; L114-V122 HydrophobicContact CD1-CG2 3.97Å; V122-Y124 HydrophobicContact CG1-CD1 4.29Å; V122-F152 HydrophobicContact CB-CD2 4.22Å; V122-F152 HydrophobicContact CB-CE2 4.13Å; V122-F152 HydrophobicContact CG2-CD2 3.55Å; V122-F152 HydrophobicContact CG2-CE2 3.5Å; V122-F152 HydrophobicContact CG2-CG 4.41Å; V122-F152 HydrophobicContact CG2-CZ 4.34Å; V122-R153 PolarHBondContact N-O 3.05Å; V122-C154 CarbonylContact O-C 3.47Å; V122-C154 VanDerWaalsContact O-CA 3.29Å; V122-C154 WeakPolarHBondContact O-CA 3.24Å; V122-V155 PolarHBondContact O-N 2.98Å
123	V	98.6	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.6	170.3	-175.2	0	0	0	0	107.4	M22 M26 V99 L100 Y101 V102 L121 V155 H158	M22-V123 HydrophobicContact CG-CG1 4.37Å; M22-V123 HydrophobicContact CG-CG2 4.29Å; M22-V123 HydrophobicContact SD-CG1 4.04Å; M22-V123 HydrophobicContact SD-CG2 4.04Å; M26-V123 HydrophobicContact CE-CG1 4.03Å; M26-V123 WeakPolarHBondContact CE-O 3.41Å; V99-V123 HydrophobicContact CG1-CG2 4.07Å; L100-V123 PolarHBondContact O-N 3.07Å; Y101-V123 WeakPolarHBondContact CA-O 3.5Å; Y101-V123 HydrophobicContact CD1-CB 3.64Å; Y101-V123 HydrophobicContact CD1-CG1 4.02Å; Y101-V123 HydrophobicContact CD1-CG2 3.96Å; Y101-V123 HydrophobicContact CE1-CB 3.91Å; Y101-V123 HydrophobicContact CE1-CG1 4.28Å; Y101-V123 HydrophobicContact CE1-CG2 3.69Å; V102-V123 PolarHBondContact N-O 3.01Å; L121-V123 HydrophobicContact CG-CG2 4.41Å; V123-V155 WeakPolarHBondContact CA-O 3.29Å; V123-V155 HydrophobicContact CG1-CB 4.34Å; V123-V155 HydrophobicContact CG1-CG1 4.47Å; V123-V155 HydrophobicContact CG2-CB 4.2Å; V123-H158 HydrophobicContact CG1-CB 4.27Å
124	Y	98.8	Very high	97.5	Very high	16 Å²	16	40 Å²	40	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.1	179.9	69.2	-100.2	0	0	0	114.8	V102 E105 V122 C134 C154 V155 P156 G157 H158	V102-Y124 CarbonylContact O-C 3.5Å; V102-Y124 WeakPolarHBondContact O-CA 3.48Å; E105-Y124 HydrophobicContact CB-CD2 3.85Å; E105-Y124 HydrophobicContact CB-CE2 3.8Å; E105-Y124 HydrophobicContact CB-CG 4.26Å; E105-Y124 HydrophobicContact CG-CE1 4.15Å; E105-Y124 HydrophobicContact CG-CE2 4.14Å; V122-Y124 HydrophobicContact CG1-CD1 4.29Å; Y124-C134 HydrophobicContact CE1-CB 4.41Å; Y124-C154 HydrophobicContact CE1-CB 3.95Å; Y124-V155 PolarHBondContact N-O 3.01Å; Y124-P156 HydrophobicContact CD2-CB 4.3Å; Y124-P156 HydrophobicContact CE1-CB 4.11Å; Y124-P156 HydrophobicContact CE2-CB 3.55Å; Y124-P156 VanDerWaalsContact CZ-CB 3.46Å; Y124-P156 CarbonylContact O-C 3.49Å; Y124-G157 PolarHBondContact O-N 3.47Å; Y124-H158 PolarHBondContact O-N 3.45Å
125	G	98.6	Very high	97.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-102.3	176.6	0	0	0	0	0	112.1	V102 T103 G157 H158	V102-G125 PolarHBondContact O-N 3.42Å; V102-G125 VanDerWaalsContact O-N 3.08Å; T103-G125 VanDerWaalsContact O-CA 3.26Å; T103-G125 WeakPolarHBondContact O-CA 3.29Å; T103-G125 PolarHBondContact O-N 2.92Å; G125-G157 WeakPolarHBondContact O-CA 3.36Å; G125-G157 PolarHBondContact O-N 3.31Å; G125-H158 VanDerWaalsContact CA-O 3.22Å; G125-H158 WeakPolarHBondContact CA-O 3.41Å
126	C	98.6	Very high	97.5	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	156.7	-178.9	72.6	0	0	0	0	112.7	T103 E105 A160 A163 V164	T103-C126 PolarHBondContact O-N 3.24Å; E105-C126 PolarHBondContact N-O 3.05Å; C126-A160 HydrophobicContact CB-CB 4.07Å; C126-A163 HydrophobicContact CB-CB 4.03Å; C126-V164 HydrophobicContact CB-CG2 3.55Å
127	S	98.4	Very high	97.6	Very high	64 Å²	64	42.2 Å²	42.2	45%	0.448	22%	0.224	S	C	.	.			trans	-62	155.5	169.2	-66.3	0	0	0	0	112.4	S136	S127-S136 WeakPolarHBondContact CB-OG 3.36Å
128	N	98.1	Very high	97.6	Very high	29 Å²	29	44.6 Å²	44.6	16%	0.155	24%	0.237	C	C	.	.			trans	-110.2	87.3	175.9	-176.9	-14.8	0	0	0	109.6	V104 E105 R130 F131 G132 S136	V104-N128 HydrophobicContact CG1-CB 3.99Å; E105-N128 HydrophobicContact CB-CB 3.79Å; E105-N128 HydrophobicContact CG-CB 4.45Å; E105-N128 WeakPolarHBondContact O-CB 3.48Å; E105-N128 PolarHBondContact O-ND2 2.94Å; E105-N128 PolarHBondContact OE2-N 3.5Å; N128-R130 PolarHBondContact O-N 3.33Å; N128-R130 VanDerWaalsContact O-N 3.08Å; N128-F131 PolarHBondContact O-N 3.43Å; N128-F131 PolarHBondContact OD1-N 2.88Å; N128-G132 VanDerWaalsContact O-CA 3.29Å; N128-G132 WeakPolarHBondContact O-CA 3.39Å; N128-G132 PolarHBondContact O-N 3.45Å; N128-S136 VanDerWaalsContact O-CB 3.23Å; N128-S136 WeakPolarHBondContact O-CB 3.27Å
129	E	95.3	Very high	97.7	Very high	173 Å²	173	46.4 Å²	46.4	81%	0.808	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.5	-171.9	-61	-178.4	168.6	0	0	114.5
130	R	95.3	Very high	97.7	Very high	189 Å²	189	47.6 Å²	47.6	71%	0.713	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-32.2	-176.1	-69.3	-174.1	176.5	-173.2	-0.4	113.7	N128	N128-R130 PolarHBondContact O-N 3.33Å; N128-R130 VanDerWaalsContact O-N 3.08Å
131	F	97.9	Very high	97.7	Very high	129 Å²	129	46.6 Å²	46.6	57%	0.566	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-138.7	4.8	-169.5	-50.5	-65.7	0	0	0	114.2	C107 V108 N128 G133	C107-F131 CarbonylContact C-O 3.52Å; C107-F131 WeakPolarHBondContact CA-O 3.31Å; C107-F131 HydrophobicContact CB-CB 3.96Å; C107-F131 WeakPolarHBondContact CB-O 3.39Å; V108-F131 PolarHBondContact N-O 3.4Å; N128-F131 PolarHBondContact O-N 3.43Å; N128-F131 PolarHBondContact OD1-N 2.88Å; F131-G133 PolarHBondContact O-N 3.46Å
132	G	98.5	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-58.4	126.7	-172.2	0	0	0	0	0	113.5	E105 N128 V137 L138	E105-G132 WeakPolarHBondContact OE1-CA 3.34Å; N128-G132 VanDerWaalsContact O-CA 3.29Å; N128-G132 WeakPolarHBondContact O-CA 3.39Å; N128-G132 PolarHBondContact O-N 3.45Å; G132-V137 WeakPolarHBondContact O-CB 3.22Å; G132-V137 PolarHBondContact O-N 2.94Å; G132-L138 PolarHBondContact O-N 3.48Å
133	G	98.6	Very high	97.4	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.1	-179.5	0	0	0	0	0	113.9	P106 F131 L138 L140	P106-G133 PolarHBondContact O-N 3.32Å; F131-G133 PolarHBondContact O-N 3.46Å; G133-L138 CarbonylContact C-O 2.91Å; G133-L138 VanDerWaalsContact CA-O 3.28Å; G133-L138 WeakPolarHBondContact CA-O 3.3Å; G133-L140 WeakPolarHBondContact O-CB 3.45Å; G133-L140 PolarHBondContact O-N 2.83Å
134	C	98.3	Very high	97.1	Very high	8 Å²	8	60 Å²	60	5%	0.054	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-121.5	26.4	-177.2	-57.1	0	0	0	0	112.2	E105 Y124 L138	E105-C134 HydrophobicContact CG-CB 3.8Å; E105-C134 WeakPolarHBondContact OE1-CA 3.45Å; E105-C134 PolarHBondContact OE1-N 2.95Å; Y124-C134 HydrophobicContact CE1-CB 4.41Å; C134-L138 PolarHBondContact N-O 3.46Å
135	G	97.6	Very high	96.7	Very high	48 Å²	48	62.9 Å²	62.9	50%	0.495	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	134.1	-29.1	175.4	0	0	0	0	0	115.2	E105 L138	E105-G135 PolarHBondContact OE1-N 3.3Å; G135-L138 PolarHBondContact N-O 2.95Å
136	S	97.8	Very high	96.1	Very high	49 Å²	49	68.2 Å²	68.2	34%	0.343	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-40.2	-173.6	-67.1	0	0	0	0	114	E105 S127 N128	E105-S136 PolarHBondContact OE1-N 3.29Å; E105-S136 VanDerWaalsContact OE1-N 3.16Å; E105-S136 WeakPolarHBondContact OE2-CB 3.48Å; E105-S136 PolarHBondContact OE2-OG 2.96Å; S127-S136 WeakPolarHBondContact CB-OG 3.36Å; N128-S136 VanDerWaalsContact O-CB 3.23Å; N128-S136 WeakPolarHBondContact O-CB 3.27Å
137	V	98.2	Very high	95.6	Very high	75 Å²	75	76 Å²	76	46%	0.455	41%	0.413	S	S	.	.	S	Bend	trans	-118.9	-49.7	176.8	-178.3	0	0	0	0	110.6	G132	G132-V137 WeakPolarHBondContact O-CB 3.22Å; G132-V137 PolarHBondContact O-N 2.94Å
138	L	97.2	Very high	95.1	Very high	92 Å²	92	75.1 Å²	75.1	48%	0.482	41%	0.405	S	S	.	.			trans	-129.3	155	170	-64.9	177.5	0	0	0	108.6	V108 G132 G133 C134 G135	V108-L138 HydrophobicContact CG1-CD1 4.25Å; V108-L138 HydrophobicContact CG2-CB 4.38Å; V108-L138 HydrophobicContact CG2-CD1 3.92Å; V108-L138 HydrophobicContact CG2-CG 4.4Å; G132-L138 PolarHBondContact O-N 3.48Å; G133-L138 CarbonylContact C-O 2.91Å; G133-L138 VanDerWaalsContact CA-O 3.28Å; G133-L138 WeakPolarHBondContact CA-O 3.3Å; C134-L138 PolarHBondContact N-O 3.46Å; G135-L138 PolarHBondContact N-O 2.95Å
139	D	97.3	Very high	94.6	Very high	63 Å²	63	75.5 Å²	75.5	34%	0.337	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-112.8	81	172.6	-171.5	0.9	0	0	0	110.9	S141 S142 A143	D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 3.47Å; D139-S141 PolarHBondContact OD1-OG 3.33Å; D139-S142 PolarHBondContact OD1-N 3.37Å; D139-S142 VanDerWaalsContact OD1-N 3.11Å; D139-S142 WeakPolarHBondContact OD2-CB 3.25Å; D139-S142 PolarHBondContact OD2-OG 3.44Å; D139-A143 WeakPolarHBondContact O-CB 3.46Å; D139-A143 PolarHBondContact O-N 3.26Å
140	L	97	Very high	94.4	Very high	24 Å²	24	70 Å²	70	13%	0.126	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.6	170.1	-63.5	-177.9	0	0	0	111.9	V108 A111 A112 R115 G133 S142 L145	V108-L140 HydrophobicContact CG1-CD1 3.8Å; V108-L140 WeakPolarHBondContact O-CD1 3.15Å; A111-L140 HydrophobicContact CB-CB 4.12Å; A111-L140 HydrophobicContact CB-CD1 4.21Å; A112-L140 HydrophobicContact CB-CD1 4.01Å; R115-L140 VanDerWaalsContact CD-O 3.26Å; R115-L140 WeakPolarHBondContact CD-O 3.42Å; R115-L140 PolarHBondContact NH1-O 3.48Å; G133-L140 WeakPolarHBondContact O-CB 3.45Å; G133-L140 PolarHBondContact O-N 2.83Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.22Å; L140-L145 HydrophobicContact CD2-CD1 3.62Å
141	S	96.3	Very high	94.4	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.063	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.5	-179.3	73.8	0	0	0	0	111.8	D139 T151 F152	D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 3.47Å; D139-S141 PolarHBondContact OD1-OG 3.33Å; S141-T151 VanDerWaalsContact O-CA 3.32Å; S141-T151 WeakPolarHBondContact O-CA 3.16Å; S141-T151 WeakPolarHBondContact O-CB 3.34Å; S141-F152 PolarHBondContact O-N 3.49Å
142	S	95.9	Very high	94.4	Very high	69 Å²	69	58.2 Å²	58.2	48%	0.483	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-15.9	-177.1	78.1	0	0	0	0	115	D139 L140 E144	D139-S142 PolarHBondContact OD1-N 3.37Å; D139-S142 VanDerWaalsContact OD1-N 3.11Å; D139-S142 WeakPolarHBondContact OD2-CB 3.25Å; D139-S142 PolarHBondContact OD2-OG 3.44Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.22Å; S142-E144 PolarHBondContact O-N 3.19Å
143	A	93.8	Very high	94.3	Very high	27 Å²	27	63.9 Å²	63.9	22%	0.223	37%	0.374	C	S	.	.			trans	-59.9	138.3	-174.7	0	0	0	0	0	113.7	R115 D139 L145	R115-A143 PolarHBondContact NH1-O 3.48Å; R115-A143 PolarHBondContact NH2-O 3.24Å; D139-A143 WeakPolarHBondContact O-CB 3.46Å; D139-A143 PolarHBondContact O-N 3.26Å; A143-L145 HydrophobicContact CB-CD1 4.01Å; A143-L145 HydrophobicContact CB-CG 3.9Å; A143-L145 PolarHBondContact O-N 3.48Å
144	E	91.9	Very high	94.3	Very high	190 Å²	190	65.7 Å²	65.7	89%	0.888	39%	0.386	S	S	*	.			trans	-82.1	91.1	170.5	-65.8	-172.7	178.6	0	0	109.6	S142	S142-E144 PolarHBondContact O-N 3.19Å
145	L	89.4	Confident	94.2	Very high	76 Å²	76	67.7 Å²	67.7	40%	0.398	40%	0.398	S	S	.	.			trans	-121.5	114.1	-178.8	-66	174.9	0	0	0	109.3	L140 A143 T148	L140-L145 HydrophobicContact CD2-CD1 3.62Å; A143-L145 HydrophobicContact CB-CD1 4.01Å; A143-L145 HydrophobicContact CB-CG 3.9Å; A143-L145 PolarHBondContact O-N 3.48Å; L145-T148 HydrophobicContact CB-CG2 3.88Å; L145-T148 WeakPolarHBondContact CB-OG1 3.39Å; L145-T148 PolarHBondContact O-OG1 3.25Å
146	P	88	Confident	94.3	Very high	113 Å²	113	69.1 Å²	69.1	73%	0.734	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	140.4	178.8	-23.3	32.7	0	0	0	111.7	T148	P146-T148 VanDerWaalsContact C-N 3.26Å; P146-T148 WeakPolarHBondContact O-CG2 3.33Å; P146-T148 PolarHBondContact O-N 2.92Å
147	D	87.2	Confident	94.2	Very high	168 Å²	168	68.9 Å²	68.9	90%	0.898	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	24.8	173.5	-52.5	-44.7	0	0	0	116
148	T	87.7	Confident	94.1	Very high	47 Å²	47	67 Å²	67	29%	0.288	39%	0.39	S	S	.	.	S	Bend	trans	-114.2	23.9	-179.4	63.6	0	0	0	0	114.6	R115 L145 P146	R115-T148 VanDerWaalsContact CB-O 3.23Å; R115-T148 WeakPolarHBondContact CB-O 3.25Å; R115-T148 PolarHBondContact NE-O 2.93Å; R115-T148 PolarHBondContact NE-OG1 3.11Å; R115-T148 PolarHBondContact NH2-OG1 3.47Å; L145-T148 HydrophobicContact CB-CG2 3.88Å; L145-T148 WeakPolarHBondContact CB-OG1 3.39Å; L145-T148 PolarHBondContact O-OG1 3.25Å; P146-T148 VanDerWaalsContact C-N 3.26Å; P146-T148 WeakPolarHBondContact O-CG2 3.33Å; P146-T148 PolarHBondContact O-N 2.92Å
149	G	88.3	Confident	94.1	Very high	36 Å²	36	66.4 Å²	66.4	37%	0.371	38%	0.382	S	S	.	.			trans	76.7	-166.3	-176.2	0	0	0	0	0	113.5	R115	R115-G149 PolarHBondContact NH2-O 3.01Å; R115-G149 VanDerWaalsContact NH2-O 3.13Å
150	T	90.9	Very high	94.1	Very high	58 Å²	58	64.6 Å²	64.6	36%	0.356	38%	0.375	S	S	.	.			trans	-92.7	145.1	-172.8	55.6	0	0	0	0	112.4	R115 N118	R115-T150 WeakPolarHBondContact CA-O 3.37Å; R115-T150 WeakPolarHBondContact CB-O 3.4Å; R115-T150 WeakPolarHBondContact CG-O 3.44Å; R115-T150 PolarHBondContact O-N 3.32Å; N118-T150 WeakPolarHBondContact CA-OG1 3.45Å
151	T	95.4	Very high	94.2	Very high	58 Å²	58	70.3 Å²	70.3	36%	0.356	41%	0.406	S	S	.	.			trans	-62.4	158.3	167.2	51.9	0	0	0	0	110.7	S141	S141-T151 VanDerWaalsContact O-CA 3.32Å; S141-T151 WeakPolarHBondContact O-CA 3.16Å; S141-T151 WeakPolarHBondContact O-CB 3.34Å
152	F	96.4	Very high	94.3	Very high	12 Å²	12	72.8 Å²	72.8	5%	0.053	42%	0.416	C	S	.	.			trans	-142.4	157.3	179.6	61.3	-98.5	0	0	0	111.3	A111 L114 R115 V119 V122 S141 C154	A111-F152 HydrophobicContact CB-CZ 4.25Å; L114-F152 HydrophobicContact CB-CE1 4.16Å; R115-F152 HydrophobicContact CG-CD1 3.9Å; R115-F152 HydrophobicContact CG-CE1 3.71Å; V119-F152 WeakPolarHBondContact O-CB 3.42Å; V122-F152 HydrophobicContact CB-CD2 4.22Å; V122-F152 HydrophobicContact CB-CE2 4.13Å; V122-F152 HydrophobicContact CG2-CD2 3.55Å; V122-F152 HydrophobicContact CG2-CE2 3.5Å; V122-F152 HydrophobicContact CG2-CG 4.41Å; V122-F152 HydrophobicContact CG2-CZ 4.34Å; S141-F152 PolarHBondContact O-N 3.49Å; F152-C154 VanDerWaalsContact CE2-SG 3.58Å
153	R	97.4	Very high	94.4	Very high	120 Å²	120	69.6 Å²	69.6	45%	0.453	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.2	178.8	-67.2	-174.7	-61.6	154.1	2	111.2	F15 P120 L121 V122	F15-R153 PolarHBondContact O-NH2 3.38Å; P120-R153 PolarHBondContact O-N 3.49Å; L121-R153 WeakPolarHBondContact CA-O 3.47Å; L121-R153 HydrophobicContact CD1-CB 3.91Å; V122-R153 PolarHBondContact N-O 3.05Å
154	C	97.8	Very high	94.6	Very high	37 Å²	37	70.8 Å²	70.8	25%	0.25	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.3	175.4	-70	0	0	0	0	111.1	V122 Y124 F152	V122-C154 CarbonylContact O-C 3.47Å; V122-C154 VanDerWaalsContact O-CA 3.29Å; V122-C154 WeakPolarHBondContact O-CA 3.24Å; Y124-C154 HydrophobicContact CE1-CB 3.95Å; F152-C154 VanDerWaalsContact CE2-SG 3.58Å
155	V	97.8	Very high	94.8	Very high	51 Å²	51	65.9 Å²	65.9	31%	0.309	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	98.9	167.6	-178.5	0	0	0	0	108.1	M22 L121 V122 V123 Y124	M22-V155 HydrophobicContact SD-CG1 3.95Å; L121-V155 HydrophobicContact CD1-CG2 4Å; V122-V155 PolarHBondContact O-N 2.98Å; V123-V155 WeakPolarHBondContact CA-O 3.29Å; V123-V155 HydrophobicContact CG1-CB 4.34Å; V123-V155 HydrophobicContact CG1-CG1 4.47Å; V123-V155 HydrophobicContact CG2-CB 4.2Å; Y124-V155 PolarHBondContact N-O 3.01Å
156	P	97.6	Very high	95.2	Very high	77 Å²	77	63.2 Å²	63.2	50%	0.5	36%	0.361	S	S	.	.			trans	-82.9	167.6	-177.4	33.8	-36.5	0	0	0	112.9	Y124	Y124-P156 HydrophobicContact CD2-CB 4.3Å; Y124-P156 HydrophobicContact CE1-CB 4.11Å; Y124-P156 HydrophobicContact CE2-CB 3.55Å; Y124-P156 VanDerWaalsContact CZ-CB 3.46Å; Y124-P156 CarbonylContact O-C 3.49Å
157	G	96.3	Very high	95.7	Very high	45 Å²	45	59.2 Å²	59.2	46%	0.464	33%	0.334	S	S	.	.			trans	92.6	-0.5	160.5	0	0	0	0	0	115.6	Y124 G125 R159 A160	Y124-G157 PolarHBondContact O-N 3.47Å; G125-G157 WeakPolarHBondContact O-CA 3.36Å; G125-G157 PolarHBondContact O-N 3.31Å; G157-R159 PolarHBondContact O-N 3.36Å; G157-A160 PolarHBondContact O-N 3.15Å
158	H	96	Very high	96	Very high	34 Å²	34	56.1 Å²	56.1	16%	0.157	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	105.4	-171.8	-164.1	-59.8	0	0	0	112	K23 M26 V123 Y124 G125 A160	K23-H158 WeakPolarHBondContact CA-NE2 3.3Å; K23-H158 VanDerWaalsContact CG-NE2 3.3Å; K23-H158 WeakPolarHBondContact CG-NE2 3.34Å; K23-H158 PolarHBondContact N-NE2 2.89Å; M26-H158 HydrophobicContact CE-CB 4.13Å; M26-H158 HydrophobicContact CG-CB 4.36Å; M26-H158 WeakPolarHBondContact CG-ND1 3.4Å; V123-H158 HydrophobicContact CG1-CB 4.27Å; Y124-H158 PolarHBondContact O-N 3.45Å; G125-H158 VanDerWaalsContact CA-O 3.22Å; G125-H158 WeakPolarHBondContact CA-O 3.41Å; H158-A160 VanDerWaalsContact C-N 3.27Å; H158-A160 PolarHBondContact O-N 3.02Å
159	R	97.1	Very high	96.3	Very high	81 Å²	81	56.6 Å²	56.6	31%	0.306	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	38.4	-171	-61	170.1	68.6	169.4	0.5	112.3	S27 F30 G157 D161 E162 A163	S27-R159 VanDerWaalsContact CA-NH1 3.29Å; S27-R159 PolarHBondContact OG-NH1 3.05Å; F30-R159 HydrophobicContact CE2-CB 3.69Å; F30-R159 HydrophobicContact CE2-CG 4.48Å; F30-R159 HydrophobicContact CZ-CB 3.95Å; G157-R159 PolarHBondContact O-N 3.36Å; R159-D161 VanDerWaalsContact C-N 3.32Å; R159-D161 PolarHBondContact O-N 3.06Å; R159-E162 HydrophobicContact CB-CB 4.45Å; R159-E162 IonicContact CZ-OE1 3.92Å; R159-E162 IonicContact CZ-OE2 3.62Å; R159-E162 IonicContact NE-OE1 3.56Å; R159-E162 IonicContact NE-OE2 2.63Å; R159-E162 PolarHBondContact NE-OE2 3.11Å; R159-E162 IonicContact NH2-OE1 3.86Å; R159-E162 PolarHBondContact NH2-OE1 2.84Å; R159-E162 IonicContact NH2-OE2 2.64Å; R159-E162 PolarHBondContact NH2-OE2 3.32Å; R159-E162 PolarHBondContact O-N 2.83Å; R159-A163 PolarHBondContact O-N 3.14Å
160	A	97.8	Very high	96.5	Very high	25 Å²	25	56.5 Å²	56.5	21%	0.207	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-42.9	-178.5	0	0	0	0	0	113.5	C126 G157 H158 E162 A163 V164	C126-A160 HydrophobicContact CB-CB 4.07Å; G157-A160 PolarHBondContact O-N 3.15Å; H158-A160 VanDerWaalsContact C-N 3.27Å; H158-A160 PolarHBondContact O-N 3.02Å; A160-E162 VanDerWaalsContact C-N 3.26Å; A160-E162 PolarHBondContact O-N 2.82Å; A160-A163 PolarHBondContact O-N 3.2Å; A160-A163 VanDerWaalsContact O-N 3.16Å; A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.9Å
161	D	98.3	Very high	96.4	Very high	144 Å²	144	60.5 Å²	60.5	77%	0.77	31%	0.314	S	S	*	.	H	α-helix	trans	-59.1	-38.3	-179.3	-65.6	-25.1	0	0	0	112.5	R159 V164 E165	R159-D161 VanDerWaalsContact C-N 3.32Å; R159-D161 PolarHBondContact O-N 3.06Å; D161-V164 PolarHBondContact O-N 2.81Å; D161-E165 WeakPolarHBondContact O-CB 3.42Å; D161-E165 PolarHBondContact O-N 3.22Å
162	E	98.3	Very high	96.1	Very high	60 Å²	60	65 Å²	65	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-41.9	177.5	-174.9	178.1	158.1	0	0	112	F30 R34 R159 A160 V164 E165 M166	F30-E162 HydrophobicContact CD1-CG 4.05Å; F30-E162 WeakPolarHBondContact CD1-OE1 3.13Å; F30-E162 HydrophobicContact CE1-CB 3.96Å; F30-E162 HydrophobicContact CE1-CG 3.63Å; F30-E162 HydrophobicContact CZ-CB 4.11Å; F30-E162 HydrophobicContact CZ-CG 4.23Å; R34-E162 IonicContact NH1-OE1 3.5Å; R159-E162 HydrophobicContact CB-CB 4.45Å; R159-E162 IonicContact CZ-OE1 3.92Å; R159-E162 IonicContact CZ-OE2 3.62Å; R159-E162 IonicContact NE-OE1 3.56Å; R159-E162 IonicContact NE-OE2 2.63Å; R159-E162 PolarHBondContact NE-OE2 3.11Å; R159-E162 IonicContact NH2-OE1 3.86Å; R159-E162 PolarHBondContact NH2-OE1 2.84Å; R159-E162 IonicContact NH2-OE2 2.64Å; R159-E162 PolarHBondContact NH2-OE2 3.32Å; R159-E162 PolarHBondContact O-N 2.83Å; A160-E162 VanDerWaalsContact C-N 3.26Å; A160-E162 PolarHBondContact O-N 2.82Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 3.37Å; E162-E165 PolarHBondContact O-N 2.5Å; E162-M166 WeakPolarHBondContact O-CG 3.34Å; E162-M166 PolarHBondContact O-N 3.16Å
163	A	98.1	Very high	95.5	Very high	2 Å²	2	69 Å²	69	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-43.7	174.7	0	0	0	0	0	111.2	F30 T103 C126 R159 A160 E165 M166 L167	F30-A163 HydrophobicContact CE1-CB 4.11Å; F30-A163 HydrophobicContact CZ-CB 3.86Å; T103-A163 WeakPolarHBondContact O-CB 3.42Å; C126-A163 HydrophobicContact CB-CB 4.03Å; R159-A163 PolarHBondContact O-N 3.14Å; A160-A163 PolarHBondContact O-N 3.2Å; A160-A163 VanDerWaalsContact O-N 3.16Å; A163-E165 PolarHBondContact O-N 2.9Å; A163-M166 PolarHBondContact O-N 3.19Å; A163-L167 WeakPolarHBondContact O-CG 3.18Å; A163-L167 PolarHBondContact O-N 2.79Å
164	V	98.1	Very high	94.2	Very high	52 Å²	52	71.9 Å²	71.9	32%	0.315	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.2	171.4	0	0	0	0	111.2	C126 A160 D161 E162 M166 L167 K168	C126-V164 HydrophobicContact CB-CG2 3.55Å; A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.9Å; D161-V164 PolarHBondContact O-N 2.81Å; E162-V164 VanDerWaalsContact C-N 3.3Å; E162-V164 PolarHBondContact O-N 3.37Å; V164-M166 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 3.42Å; V164-K168 HydrophobicContact CG1-CD 4.06Å; V164-K168 VanDerWaalsContact CG1-CE 3.49Å; V164-K168 HydrophobicContact CG1-CG 4.44Å; V164-K168 WeakPolarHBondContact O-CG 3.16Å; V164-K168 PolarHBondContact O-N 3.06Å
165	E	97.8	Very high	93	Very high	88 Å²	88	74.9 Å²	74.9	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-36.1	-179.4	-167.8	55.6	-145.2	0	0	112.4	D161 E162 A163 K168 T169	D161-E165 WeakPolarHBondContact O-CB 3.42Å; D161-E165 PolarHBondContact O-N 3.22Å; E162-E165 PolarHBondContact O-N 2.5Å; A163-E165 PolarHBondContact O-N 2.9Å; E165-K168 PolarHBondContact O-N 2.69Å; E165-T169 WeakPolarHBondContact O-CB 3.26Å; E165-T169 PolarHBondContact O-N 3.11Å; E165-T169 PolarHBondContact O-OG1 3Å
166	M	97.6	Very high	91.7	Very high	19 Å²	19	78.1 Å²	78.1	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-46.2	172.3	-69.7	-174.2	79.6	0	0	111.6	F30 A33 R34 L37 P43 E162 A163 V164 K168 T169 F170	F30-M166 HydrophobicContact CD1-SD 3.62Å; F30-M166 HydrophobicContact CE1-SD 3.91Å; A33-M166 HydrophobicContact CB-CE 3.85Å; A33-M166 HydrophobicContact CB-SD 4.16Å; R34-M166 HydrophobicContact CB-CE 4.32Å; R34-M166 HydrophobicContact CG-CE 3.66Å; L37-M166 HydrophobicContact CD2-CE 4.26Å; P43-M166 HydrophobicContact CB-CB 4.04Å; P43-M166 HydrophobicContact CB-CE 3.97Å; P43-M166 HydrophobicContact CG-CB 3.93Å; P43-M166 WeakPolarHBondContact CG-O 2.85Å; E162-M166 WeakPolarHBondContact O-CG 3.34Å; E162-M166 PolarHBondContact O-N 3.16Å; A163-M166 PolarHBondContact O-N 3.19Å; V164-M166 PolarHBondContact O-N 3.49Å; M166-K168 VanDerWaalsContact C-N 3.35Å; M166-K168 PolarHBondContact O-N 3.47Å; M166-T169 WeakPolarHBondContact O-CB 3.19Å; M166-T169 PolarHBondContact O-N 2.6Å; M166-T169 VanDerWaalsContact O-N 3.14Å; M166-F170 PolarHBondContact O-N 3.13Å
167	L	97	Very high	90.4	Very high	30 Å²	30	81.2 Å²	81.2	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-59.4	-45	175.8	-71.7	170.6	0	0	0	111.6	V42 P43 V104 A163 V164 T169 F170 Y171	V42-L167 HydrophobicContact CG1-CD2 3.89Å; P43-L167 HydrophobicContact CG-CD2 4.14Å; V104-L167 HydrophobicContact CG2-CD1 3.94Å; V104-L167 HydrophobicContact CG2-CD2 4.47Å; V104-L167 HydrophobicContact CG2-CG 4.38Å; A163-L167 WeakPolarHBondContact O-CG 3.18Å; A163-L167 PolarHBondContact O-N 2.79Å; V164-L167 PolarHBondContact O-N 3.42Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 2.98Å; L167-F170 PolarHBondContact O-N 3.4Å; L167-Y171 HydrophobicContact CB-CE2 4.39Å; L167-Y171 HydrophobicContact CD2-CE2 4.31Å; L167-Y171 WeakPolarHBondContact O-CD2 3.28Å; L167-Y171 PolarHBondContact O-N 3.43Å
168	K	94.8	Very high	89.3	Confident	103 Å²	103	81.6 Å²	81.6	45%	0.448	41%	0.413	S	S	.	.	H	α-helix	trans	-59.3	-42.6	174.2	-74.2	171.6	-179.5	167.9	0	111.6	V164 E165 M166 F170 Y171 K172	V164-K168 HydrophobicContact CG1-CD 4.06Å; V164-K168 VanDerWaalsContact CG1-CE 3.49Å; V164-K168 HydrophobicContact CG1-CG 4.44Å; V164-K168 WeakPolarHBondContact O-CG 3.16Å; V164-K168 PolarHBondContact O-N 3.06Å; E165-K168 PolarHBondContact O-N 2.69Å; M166-K168 VanDerWaalsContact C-N 3.35Å; M166-K168 PolarHBondContact O-N 3.47Å; K168-F170 VanDerWaalsContact C-N 3.32Å; K168-F170 PolarHBondContact O-N 3.05Å; K168-Y171 PolarHBondContact O-N 3.08Å; K168-K172 WeakPolarHBondContact O-CB 3.32Å; K168-K172 WeakPolarHBondContact O-CG 3.23Å; K168-K172 PolarHBondContact O-N 3.02Å
169	T	93.3	Very high	88.4	Confident	56 Å²	56	85.6 Å²	85.6	34%	0.344	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-44.8	177.4	-61.9	0	0	0	0	110.9	L37 E165 M166 L167 Q173	L37-T169 HydrophobicContact CD2-CG2 4.21Å; E165-T169 WeakPolarHBondContact O-CB 3.26Å; E165-T169 PolarHBondContact O-N 3.11Å; E165-T169 PolarHBondContact O-OG1 3Å; M166-T169 WeakPolarHBondContact O-CB 3.19Å; M166-T169 PolarHBondContact O-N 2.6Å; M166-T169 VanDerWaalsContact O-N 3.14Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 2.98Å; T169-Q173 WeakPolarHBondContact O-CG 3.33Å
170	F	93.2	Very high	87.5	Confident	35 Å²	35	91 Å²	91	15%	0.154	47%	0.468	C	S	.	.	H	α-helix	trans	-62.6	-50.5	176.5	178.4	-99.9	0	0	0	112.3	L37 E41 V42 P43 M166 L167 K168 K172 Q173	L37-F170 HydrophobicContact CD1-CB 3.88Å; L37-F170 HydrophobicContact CD1-CD2 4.04Å; L37-F170 HydrophobicContact CD1-CG 4.47Å; E41-F170 VanDerWaalsContact O-CD2 3.27Å; E41-F170 WeakPolarHBondContact O-CD2 3.23Å; E41-F170 VanDerWaalsContact O-CE2 3.27Å; E41-F170 WeakPolarHBondContact O-CE2 3.45Å; V42-F170 HydrophobicContact CB-CE1 4.35Å; V42-F170 HydrophobicContact CG2-CD1 4.37Å; V42-F170 HydrophobicContact CG2-CE1 3.69Å; V42-F170 HydrophobicContact CG2-CZ 3.89Å; P43-F170 HydrophobicContact CG-CB 3.98Å; M166-F170 PolarHBondContact O-N 3.13Å; L167-F170 PolarHBondContact O-N 3.4Å; K168-F170 VanDerWaalsContact C-N 3.32Å; K168-F170 PolarHBondContact O-N 3.05Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.36Å; F170-Q173 VanDerWaalsContact O-CB 3.3Å; F170-Q173 WeakPolarHBondContact O-CB 3.42Å; F170-Q173 PolarHBondContact O-N 2.99Å
171	Y	88.6	Confident	86.4	Confident	141 Å²	141	95.6 Å²	95.6	55%	0.553	50%	0.495	S	S	*	.	H	α-helix	trans	-73.4	-16.2	-176.8	-67.5	-58.8	0	0	0	114.7	L167 K168 Q173	L167-Y171 HydrophobicContact CB-CE2 4.39Å; L167-Y171 HydrophobicContact CD2-CE2 4.31Å; L167-Y171 WeakPolarHBondContact O-CD2 3.28Å; L167-Y171 PolarHBondContact O-N 3.43Å; K168-Y171 PolarHBondContact O-N 3.08Å; Y171-Q173 VanDerWaalsContact C-N 3.28Å
172	K	89.4	Confident	84.8	Confident	154 Å²	154	98.4 Å²	98.4	67%	0.67	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-18.1	169.5	-77.6	171.8	-176.8	171.8	0	112.6	K168 F170	K168-K172 WeakPolarHBondContact O-CB 3.32Å; K168-K172 WeakPolarHBondContact O-CG 3.23Å; K168-K172 PolarHBondContact O-N 3.02Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.36Å
173	Q	83.3	Confident	83.3	Confident	94 Å²	94	101.7 Å²	101.7	44%	0.439	53%	0.525	S	S	.	.	S	Bend	trans	-69.6	137.5	176.8	-62.4	173.4	16.4	0	0	109.4	T169 F170 Y171	T169-Q173 WeakPolarHBondContact O-CG 3.33Å; F170-Q173 VanDerWaalsContact O-CB 3.3Å; F170-Q173 WeakPolarHBondContact O-CB 3.42Å; F170-Q173 PolarHBondContact O-N 2.99Å; Y171-Q173 VanDerWaalsContact C-N 3.28Å
174	E	71	Confident	81.1	Confident	182 Å²	182	112.9 Å²	112.9	85%	0.85	57%	0.567	S	S	*	*			trans	-68.7	135.4	171.8	-68.1	-171.4	156.4	0	0	109.3	P176	E174-P176 WeakPolarHBondContact O-CD 3.48Å; E174-P176 VanDerWaalsContact O-N 3.15Å
175	N	70.7	Confident	78.8	Confident	99 Å²	99	120 Å²	120	53%	0.529	59%	0.594	S	S	.	*			trans	-68	111.5	171.2	175.8	0.3	0	0	0	108.2	N177 A178	N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 VanDerWaalsContact O-N 3.11Å; N175-N177 WeakPolarHBondContact OD1-CA 3.09Å; N175-N177 WeakPolarHBondContact OD1-CB 3.49Å; N175-N177 PolarHBondContact OD1-N 2.85Å; N175-A178 HydrophobicContact CB-CB 3.99Å; N175-A178 VanDerWaalsContact O-CB 3.25Å; N175-A178 WeakPolarHBondContact O-CB 3.23Å; N175-A178 PolarHBondContact O-N 2.59Å; N175-A178 PolarHBondContact OD1-N 3.2Å
176	P	72.1	Confident	76.9	Confident	120 Å²	120	126.9 Å²	126.9	78%	0.779	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-18.3	-177.6	28.7	-35.4	0	0	0	112.3	E174	E174-P176 WeakPolarHBondContact O-CD 3.48Å; E174-P176 VanDerWaalsContact O-N 3.15Å
177	N	69.9	Low	75.8	Confident	141 Å²	141	132.3 Å²	132.3	75%	0.754	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-3.2	176.1	-55.8	-53	0	0	0	112.7	N175	N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 VanDerWaalsContact O-N 3.11Å; N175-N177 WeakPolarHBondContact OD1-CA 3.09Å; N175-N177 WeakPolarHBondContact OD1-CB 3.49Å; N175-N177 PolarHBondContact OD1-N 2.85Å
178	A	73.4	Confident	74.7	Confident	53 Å²	53	137.7 Å²	137.7	44%	0.438	69%	0.687	S	S	.	*	S	Bend	trans	-64.1	131.9	174.9	0	0	0	0	0	109	N175 K180	N175-A178 HydrophobicContact CB-CB 3.99Å; N175-A178 VanDerWaalsContact O-CB 3.25Å; N175-A178 WeakPolarHBondContact O-CB 3.23Å; N175-A178 PolarHBondContact O-N 2.59Å; N175-A178 PolarHBondContact OD1-N 3.2Å; A178-K180 PolarHBondContact O-N 3.25Å
179	P	76.6	Confident	73.6	Confident	118 Å²	118	139.6 Å²	139.6	77%	0.766	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-58.2	137.3	172.8	24.2	-32.2	0	0	0	108.8	P181	P179-P181 VanDerWaalsContact O-N 3.12Å
180	K	77.5	Confident	72.5	Confident	194 Å²	194	144.5 Å²	144.5	84%	0.843	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-51.1	124.7	176.6	-69.3	-173.7	179.9	-177.1	0	108.3	A178 K182	A178-K180 PolarHBondContact O-N 3.25Å; K180-K182 PolarHBondContact O-N 3.48Å
181	P	74.3	Confident	71.2	Confident	122 Å²	122	151.4 Å²	151.4	79%	0.792	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56	121.8	-179.3	19.7	-29.8	0	0	0	108	P179 T183	P179-P181 VanDerWaalsContact O-N 3.12Å; P181-T183 PolarHBondContact O-N 2.98Å
182	K	66.4	Low	70	Confident	203 Å²	203	152.1 Å²	152.1	88%	0.883	77%	0.77	S	S	*	*			trans	-64.9	107	172.8	-72.4	-177.1	178.8	178.6	0	106	K180 R184	K180-K182 PolarHBondContact O-N 3.48Å; K182-R184 PolarHBondContact O-N 3.09Å; K182-R184 VanDerWaalsContact O-N 3.08Å
183	T	65.5	Low	68.6	Low	130 Å²	130	151.9 Å²	151.9	80%	0.798	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-53.5	118.5	167.9	27.7	0	0	0	0	107.3	P181 K185	P181-T183 PolarHBondContact O-N 2.98Å; T183-K185 PolarHBondContact O-N 3.08Å; T183-K185 VanDerWaalsContact O-N 3.09Å
184	R	51.5	Low	67.5	Low	236 Å²	236	156.4 Å²	156.4	89%	0.891	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-58.7	117.1	165.6	-88.8	-176	170	-174.8	-3	105.5	K182 D186	K182-R184 PolarHBondContact O-N 3.09Å; K182-R184 VanDerWaalsContact O-N 3.08Å; R184-D186 PolarHBondContact O-N 3.42Å
185	K	51.3	Low	67.2	Low	203 Å²	203	154.3 Å²	154.3	88%	0.883	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.3	120.7	163.5	-78.5	-176	173.6	-176.5	0	105.9	T183	T183-K185 PolarHBondContact O-N 3.08Å; T183-K185 VanDerWaalsContact O-N 3.09Å
186	D	57.1	Low	66.9	Low	232 Å²	232	159.3 Å²	159.3	100%	1.241	82%	0.824	S	S	*	*			trans	-60.1	0	166.8	-63.3	-41.8	0	0	0	111.1	R184	R184-D186 PolarHBondContact O-N 3.42Å

Retrieved 186 of 186 residues in 333.8 ms (Link to these results)

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