A0A075B642_MOUSE Loading...

T cell receptor alpha variable 10

AlphaFold DB , UniProt , Accession A0A075B642, Species MOUSE (Mus musculus, Mouse), Gene Trav10d, Length 114 aa.

						>A0A075B642_MOUSE|A0A075B642|Trav10d
MKTSLHTVFLFLWLWMDWESHGEKVEQHESTLSVREGDSAVINCTYTDTASSYFPWYKQEAGKSLHFVIDIRSNVDRKQSQRLIVLLDKKAKRFSLHITATQPEDSAIYFCAAS
					

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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	47.5	Very low	68.2	Low	235 Å²	235	118 Å²	118	100%	1.158	60%	0.601	S	S	*	*				0	96.4	0	-81	153.3	61.9	0	0	108.8
2	K	56.8	Low	68.8	Low	213 Å²	213	115 Å²	115	93%	0.926	59%	0.586	S	S	*	*			trans	-92	92.7	171.2	-99.6	173.2	171.2	173.1	0	106.6	S4	K2-S4 PolarHBondContact O-N 2.86Å
3	T	60.7	Low	69.2	Low	113 Å²	113	115.8 Å²	115.8	69%	0.693	58%	0.578	S	S	*	*			trans	-61.7	124.4	165.2	38	0	0	0	0	107.1	L5	T3-L5 PolarHBondContact O-N 3.1Å
4	S	69.4	Low	69.2	Low	68 Å²	68	116.1 Å²	116.1	48%	0.476	58%	0.582	S	S	.	*			trans	-63.3	131.7	-179.2	178.9	0	0	0	0	109	K2 H6 T7 V8	K2-S4 PolarHBondContact O-N 2.86Å; S4-H6 PolarHBondContact O-N 3.27Å; S4-H6 PolarHBondContact OG-N 3.27Å; S4-T7 WeakPolarHBondContact O-CB 3.22Å; S4-T7 PolarHBondContact O-N 3.29Å; S4-V8 PolarHBondContact O-N 3.02Å
5	L	71.1	Confident	69.1	Low	123 Å²	123	123.1 Å²	123.1	64%	0.644	60%	0.599	S	S	*	*	H	α-helix	trans	-51.2	-33.1	176.4	-165.9	75.1	0	0	0	111.3	T3 T7 V8 F9	T3-L5 PolarHBondContact O-N 3.1Å; L5-T7 PolarHBondContact O-N 3.16Å; L5-V8 PolarHBondContact O-N 2.8Å; L5-F9 HydrophobicContact CD1-CE2 4.22Å; L5-F9 HydrophobicContact CD2-CD2 4.41Å; L5-F9 HydrophobicContact CD2-CE2 3.55Å; L5-F9 HydrophobicContact CD2-CZ 4.31Å; L5-F9 HydrophobicContact CG-CD2 3.92Å; L5-F9 HydrophobicContact CG-CE2 3.41Å; L5-F9 VanDerWaalsContact CG-CE2 3.41Å; L5-F9 HydrophobicContact CG-CZ 4.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.06Å
6	H	71.7	Confident	69	Low	116 Å²	116	123.9 Å²	123.9	54%	0.537	60%	0.603	S	S	.	*	H	α-helix	trans	-63.4	-38.8	176.2	-153.7	-88.7	0	0	0	113.2	S4 F9 L10	S4-H6 PolarHBondContact O-N 3.27Å; S4-H6 PolarHBondContact OG-N 3.27Å; H6-F9 PolarHBondContact O-N 2.95Å; H6-L10 VanDerWaalsContact O-CG 3.31Å; H6-L10 WeakPolarHBondContact O-CG 3.37Å; H6-L10 PolarHBondContact O-N 2.83Å
7	T	72.7	Confident	68.7	Low	62 Å²	62	123.4 Å²	123.4	38%	0.38	60%	0.603	S	S	.	*	H	α-helix	trans	-67.1	-40.8	176.5	-52.7	0	0	0	0	110.5	S4 L5 L10 F11	S4-T7 WeakPolarHBondContact O-CB 3.22Å; S4-T7 PolarHBondContact O-N 3.29Å; L5-T7 PolarHBondContact O-N 3.16Å; T7-L10 PolarHBondContact O-N 3.09Å; T7-F11 HydrophobicContact CG2-CD2 3.78Å; T7-F11 HydrophobicContact CG2-CE2 3.39Å; T7-F11 HydrophobicContact CG2-CZ 4.5Å; T7-F11 WeakPolarHBondContact O-CD2 3.41Å; T7-F11 PolarHBondContact O-N 2.89Å; T7-F11 VanDerWaalsContact O-N 3.12Å
8	V	78.2	Confident	69.1	Low	66 Å²	66	128.6 Å²	128.6	40%	0.4	62%	0.616	S	S	.	*	H	α-helix	trans	-63	-42.8	175	-179.1	0	0	0	0	111	S4 L5 F11 L12	S4-V8 PolarHBondContact O-N 3.02Å; L5-V8 PolarHBondContact O-N 2.8Å; V8-F11 PolarHBondContact O-N 2.87Å; V8-L12 HydrophobicContact CG1-CD1 3.89Å; V8-L12 HydrophobicContact CG1-CG 4.46Å; V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.32Å; V8-L12 PolarHBondContact O-N 3.34Å
9	F	75	Confident	69.1	Low	91 Å²	91	129.7 Å²	129.7	40%	0.399	62%	0.62	S	S	.	*	H	α-helix	trans	-63.7	-41.4	176.3	-76	-59.6	0	0	0	113.3	L5 H6 F11 L12 W13	L5-F9 HydrophobicContact CD1-CE2 4.22Å; L5-F9 HydrophobicContact CD2-CD2 4.41Å; L5-F9 HydrophobicContact CD2-CE2 3.55Å; L5-F9 HydrophobicContact CD2-CZ 4.31Å; L5-F9 HydrophobicContact CG-CD2 3.92Å; L5-F9 HydrophobicContact CG-CE2 3.41Å; L5-F9 VanDerWaalsContact CG-CE2 3.41Å; L5-F9 HydrophobicContact CG-CZ 4.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.06Å; H6-F9 PolarHBondContact O-N 2.95Å; F9-F11 PolarHBondContact O-N 3.38Å; F9-L12 PolarHBondContact O-N 3.44Å; F9-W13 HydrophobicContact CB-CH2 4.14Å; F9-W13 HydrophobicContact CB-CZ2 4.02Å; F9-W13 VanDerWaalsContact O-CD2 3.23Å; F9-W13 VanDerWaalsContact O-CG 3.23Å; F9-W13 PolarHBondContact O-N 3Å
10	L	75.3	Confident	69.2	Low	79 Å²	79	128.3 Å²	128.3	41%	0.414	62%	0.624	S	S	.	*	H	α-helix	trans	-60.9	-42.9	175.3	-72.1	165.5	0	0	0	112.2	H6 T7 W13 L14	H6-L10 VanDerWaalsContact O-CG 3.31Å; H6-L10 WeakPolarHBondContact O-CG 3.37Å; H6-L10 PolarHBondContact O-N 2.83Å; T7-L10 PolarHBondContact O-N 3.09Å; L10-W13 HydrophobicContact CD2-CE3 3.87Å; L10-W13 HydrophobicContact CD2-CZ3 3.82Å; L10-W13 HydrophobicContact CG-CE3 4.41Å; L10-W13 HydrophobicContact CG-CZ3 4.31Å; L10-W13 PolarHBondContact O-N 3.39Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.28Å; L10-L14 VanDerWaalsContact O-N 3.1Å
11	F	72.1	Confident	69.3	Low	132 Å²	132	130.5 Å²	130.5	58%	0.579	63%	0.633	S	S	*	*	H	α-helix	trans	-69	-34.4	176.1	-73.6	-61.8	0	0	0	112.8	T7 V8 F9 L14 W15	T7-F11 HydrophobicContact CG2-CD2 3.78Å; T7-F11 HydrophobicContact CG2-CE2 3.39Å; T7-F11 HydrophobicContact CG2-CZ 4.5Å; T7-F11 WeakPolarHBondContact O-CD2 3.41Å; T7-F11 PolarHBondContact O-N 2.89Å; T7-F11 VanDerWaalsContact O-N 3.12Å; V8-F11 PolarHBondContact O-N 2.87Å; F9-F11 PolarHBondContact O-N 3.38Å; F11-L14 PolarHBondContact O-N 2.73Å; F11-W15 PolarHBondContact O-N 2.59Å
12	L	74.8	Confident	70.6	Confident	82 Å²	82	122.2 Å²	122.2	43%	0.429	61%	0.608	S	S	.	*	H	α-helix	trans	-67.1	-37.1	173.9	-77	165.6	0	0	0	112.3	V8 F9 W15 M16	V8-L12 HydrophobicContact CG1-CD1 3.89Å; V8-L12 HydrophobicContact CG1-CG 4.46Å; V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.32Å; V8-L12 PolarHBondContact O-N 3.34Å; F9-L12 PolarHBondContact O-N 3.44Å; L12-W15 PolarHBondContact O-N 2.97Å; L12-M16 WeakPolarHBondContact O-CG 2.9Å; L12-M16 PolarHBondContact O-N 2.96Å
13	W	73.9	Confident	71.8	Confident	125 Å²	125	115.5 Å²	115.5	47%	0.473	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-44.8	173.9	-61.8	-33.6	0	0	0	111.7	F9 L10 W15 M16 D17	F9-W13 HydrophobicContact CB-CH2 4.14Å; F9-W13 HydrophobicContact CB-CZ2 4.02Å; F9-W13 VanDerWaalsContact O-CD2 3.23Å; F9-W13 VanDerWaalsContact O-CG 3.23Å; F9-W13 PolarHBondContact O-N 3Å; L10-W13 HydrophobicContact CD2-CE3 3.87Å; L10-W13 HydrophobicContact CD2-CZ3 3.82Å; L10-W13 HydrophobicContact CG-CE3 4.41Å; L10-W13 HydrophobicContact CG-CZ3 4.31Å; L10-W13 PolarHBondContact O-N 3.39Å; W13-W15 PolarHBondContact O-N 2.8Å; W13-M16 PolarHBondContact O-N 2.73Å; W13-D17 PolarHBondContact O-N 3.34Å
14	L	69.4	Low	73.3	Confident	121 Å²	121	115.3 Å²	115.3	63%	0.634	57%	0.57	S	S	*	*	H	α-helix	trans	-63.1	-24.9	177.7	-71.8	167.4	0	0	0	114.2	L10 F11	L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.28Å; L10-L14 VanDerWaalsContact O-N 3.1Å; F11-L14 PolarHBondContact O-N 2.73Å
15	W	68	Low	74.5	Confident	221 Å²	221	114.4 Å²	114.4	84%	0.837	56%	0.561	S	S	*	*	H	α-helix	trans	-80.8	-23.6	172.9	-102.1	-19.4	0	0	0	113.8	F11 L12 W13	F11-W15 PolarHBondContact O-N 2.59Å; L12-W15 PolarHBondContact O-N 2.97Å; W13-W15 PolarHBondContact O-N 2.8Å
16	M	67.5	Low	75.6	Confident	135 Å²	135	112.9 Å²	112.9	67%	0.665	55%	0.551	S	S	*	*	H	α-helix	trans	-80.9	-23.9	177.2	-70.1	-171.2	-61.4	0	0	112.6	L12 W13 W18	L12-M16 WeakPolarHBondContact O-CG 2.9Å; L12-M16 PolarHBondContact O-N 2.96Å; W13-M16 PolarHBondContact O-N 2.73Å; M16-W18 PolarHBondContact O-N 2.65Å
17	D	64.5	Low	76.6	Confident	115 Å²	115	111 Å²	111	62%	0.615	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	14	178.4	-58.1	-27.6	0	0	0	113.2	W13 E19	W13-D17 PolarHBondContact O-N 3.34Å; D17-E19 PolarHBondContact O-N 3.07Å
18	W	75.3	Confident	77.1	Confident	217 Å²	217	112.9 Å²	112.9	82%	0.822	55%	0.546	S	S	*	.			trans	-71	82.3	165.7	-177.6	-90.1	0	0	0	109.1	M16 S20	M16-W18 PolarHBondContact O-N 2.65Å; W18-S20 PolarHBondContact O-N 2.89Å
19	E	69.6	Low	77.3	Confident	150 Å²	150	116.2 Å²	116.2	70%	0.701	56%	0.558	S	S	*	*			trans	-72.9	113.6	167.5	-72.8	177.6	175.7	0	0	108.5	D17 H21	D17-E19 PolarHBondContact O-N 3.07Å; E19-H21 PolarHBondContact O-N 3.04Å
20	S	71.2	Confident	77.6	Confident	101 Å²	101	117.6 Å²	117.6	71%	0.706	58%	0.579	S	S	*	*			trans	-71.4	111.8	168.7	55.5	0	0	0	0	108.6	W18 G22	W18-S20 PolarHBondContact O-N 2.89Å; S20-G22 PolarHBondContact O-N 3Å
21	H	69.8	Low	78.4	Confident	176 Å²	176	119.5 Å²	119.5	82%	0.815	59%	0.594	S	S	*	*			trans	-72.6	79.2	165.8	-67.3	-82.9	0	0	0	108.6	E19	E19-H21 PolarHBondContact O-N 3.04Å
22	G	75.3	Confident	79.5	Confident	61 Å²	61	117.6 Å²	117.6	63%	0.629	59%	0.589	S	S	*	*			trans	-65.4	133.2	173.8	0	0	0	0	0	110.7	S20	S20-G22 PolarHBondContact O-N 3Å
23	E	83	Confident	80.5	Confident	72 Å²	72	119.2 Å²	119.2	34%	0.336	61%	0.607	S	S	.	*			trans	-72.3	130.4	165.9	-178	172	-177.4	0	0	109	D48 S51 A113	E23-D48 HydrophobicContact CG-CB 3.82Å; E23-S51 PolarHBondContact OE1-OG 3.35Å; E23-A113 VanDerWaalsContact OE1-CB 3.27Å; E23-A113 WeakPolarHBondContact OE1-CB 3.3Å
24	K	91.7	Very high	81.5	Confident	108 Å²	108	116.3 Å²	116.3	47%	0.47	60%	0.603	S	S	.	*			trans	-105.3	125.6	-179.9	-168.1	-177.6	-172.9	-160	0	109.4	E26 Y46 T47	K24-E26 HydrophobicContact CD-CG 4.26Å; K24-E26 WeakPolarHBondContact CE-OE1 3.46Å; K24-E26 HydrophobicContact CG-CG 4.09Å; K24-E26 IonicContact NZ-OE1 3.36Å; K24-E26 PolarHBondContact NZ-OE1 2.84Å; K24-E26 IonicContact NZ-OE2 3.58Å; K24-Y46 CarbonylContact O-C 3.57Å; K24-Y46 VanDerWaalsContact O-CA 3.28Å; K24-Y46 WeakPolarHBondContact O-CA 3.4Å; K24-T47 HydrophobicContact CB-CG2 3.83Å; K24-T47 HydrophobicContact CD-CG2 4.5Å; K24-T47 PolarHBondContact N-OG1 2.86Å; K24-T47 VanDerWaalsContact N-OG1 3.13Å; K24-T47 PolarHBondContact O-N 2.02Å; K24-T47 PolarHBondContact O-OG1 2.9Å
25	V	95	Very high	82.9	Confident	49 Å²	49	120 Å²	120	30%	0.297	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	127.1	170.5	-176.2	0	0	0	0	107.6	T45 F94 A113	V25-T45 CarbonylContact C-O 3.49Å; V25-T45 VanDerWaalsContact CA-O 3.28Å; V25-T45 WeakPolarHBondContact CA-O 3.22Å; V25-F94 HydrophobicContact CG1-CE1 4.44Å; V25-F94 HydrophobicContact CG1-CZ 4.27Å; V25-A113 HydrophobicContact CG2-CB 3.81Å
26	E	94.2	Very high	84.3	Confident	91 Å²	91	116.5 Å²	116.5	43%	0.425	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.7	136.5	-178.3	-63.6	-176.2	129.4	0	0	111.7	K24 C44 T45	K24-E26 HydrophobicContact CD-CG 4.26Å; K24-E26 WeakPolarHBondContact CE-OE1 3.46Å; K24-E26 HydrophobicContact CG-CG 4.09Å; K24-E26 IonicContact NZ-OE1 3.36Å; K24-E26 PolarHBondContact NZ-OE1 2.84Å; K24-E26 IonicContact NZ-OE2 3.58Å; E26-C44 CarbonylContact O-C 3.55Å; E26-C44 VanDerWaalsContact O-CA 3.28Å; E26-C44 WeakPolarHBondContact O-CA 3.45Å; E26-T45 PolarHBondContact N-O 3.35Å; E26-T45 PolarHBondContact O-N 3.39Å; E26-T45 PolarHBondContact O-OG1 2.92Å
27	Q	92.5	Very high	85.8	Confident	77 Å²	77	112.2 Å²	112.2	36%	0.36	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	121	170.2	-79.4	179.9	-105.5	0	0	109.1	C44 Y109 C111	Q27-C44 WeakPolarHBondContact CG-SG 3.26Å; Q27-Y109 PolarHBondContact NE2-O 3.04Å; Q27-C111 WeakPolarHBondContact CG-SG 3.18Å
28	H	82	Confident	87.4	Confident	101 Å²	101	110.9 Å²	110.9	47%	0.468	59%	0.585	S	S	.	*	S	Bend	trans	-69.6	-36	-173.1	-80.9	-81.8	0	0	0	113.7	N43 T45	H28-N43 PolarHBondContact N-O 2.88Å; H28-T45 WeakPolarHBondContact NE2-CG2 3.42Å
29	E	82.6	Confident	88.5	Confident	136 Å²	136	104.2 Å²	104.2	64%	0.636	57%	0.572	S	S	*	*			trans	-117.6	124	-178	-63.6	-62.2	163.4	0	0	109.9
30	S	82.5	Confident	89.8	Confident	120 Å²	120	97.4 Å²	97.4	84%	0.839	54%	0.541	S	S	*	.	S	Bend	trans	-82.7	-21.2	-179.1	60.1	0	0	0	0	113.1
31	T	92.4	Very high	91.1	Very high	119 Å²	119	95.2 Å²	95.2	73%	0.73	52%	0.523	S	S	*	.			trans	-147.5	133.3	-179.7	-59.5	0	0	0	0	110.1
32	L	94	Very high	92.4	Very high	93 Å²	93	88.2 Å²	88.2	49%	0.487	49%	0.491	S	S	.	.			trans	-127.1	132.7	178.6	-179.9	64.1	0	0	0	109.2	V34 A40	L32-V34 HydrophobicContact CD1-CG1 4.17Å; L32-V34 HydrophobicContact CD2-CG1 4.21Å; L32-V34 HydrophobicContact CG-CG1 4Å; L32-A40 HydrophobicContact CD2-CB 3.68Å
33	S	96	Very high	93.4	Very high	116 Å²	116	87.9 Å²	87.9	81%	0.811	48%	0.475	S	S	*	.			trans	-121.8	127.2	172.7	-173.6	0	0	0	0	109
34	V	96.2	Very high	94.1	Very high	63 Å²	63	84.5 Å²	84.5	38%	0.382	46%	0.46	S	S	.	.			trans	-134.7	156.1	-178.2	-65.7	0	0	0	0	109.5	L32 A40 T101	L32-V34 HydrophobicContact CD1-CG1 4.17Å; L32-V34 HydrophobicContact CD2-CG1 4.21Å; L32-V34 HydrophobicContact CG-CG1 4Å; V34-A40 HydrophobicContact CG1-CB 4.02Å; V34-A40 HydrophobicContact CG2-CB 4.21Å; V34-T101 HydrophobicContact CG2-CG2 4.11Å
35	R	97.8	Very high	94.4	Very high	198 Å²	198	80.6 Å²	80.6	75%	0.747	45%	0.445	S	S	*	.			trans	-82	146.9	171.8	-63.7	176.2	173	169.8	-1.7	109.4	G37 D38 T101	R35-G37 PolarHBondContact O-N 2.73Å; R35-D38 WeakPolarHBondContact O-CB 3.42Å; R35-D38 PolarHBondContact O-N 3.16Å; R35-T101 PolarHBondContact O-OG1 3.32Å
36	E	97.9	Very high	94.5	Very high	148 Å²	148	78.6 Å²	78.6	69%	0.692	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	137.3	171.5	-172.6	-177.4	167.8	0	0	110.7	D38 T101	E36-D38 PolarHBondContact O-N 2.88Å; E36-T101 WeakPolarHBondContact CG-O 3Å
37	G	98.2	Very high	94.6	Very high	45 Å²	45	77.5 Å²	77.5	46%	0.464	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-20.8	-176.2	0	0	0	0	0	114.7	R35 A100 T101	R35-G37 PolarHBondContact O-N 2.73Å; G37-A100 WeakPolarHBondContact O-CA 3.33Å; G37-T101 PolarHBondContact N-O 3.15Å
38	D	98.2	Very high	94.6	Very high	87 Å²	87	76.6 Å²	76.6	47%	0.465	43%	0.429	S	S	.	.	S	Bend	trans	-75.1	170.8	174.2	-69.7	-15.5	0	0	0	110.9	R35 E36 T101	R35-D38 WeakPolarHBondContact O-CB 3.42Å; R35-D38 PolarHBondContact O-N 3.16Å; E36-D38 PolarHBondContact O-N 2.88Å; D38-T101 WeakPolarHBondContact O-CB 3.19Å; D38-T101 VanDerWaalsContact O-CG2 3.22Å; D38-T101 WeakPolarHBondContact O-CG2 3.17Å; D38-T101 PolarHBondContact O-N 3.49Å; D38-T101 PolarHBondContact O-OG1 2.95Å
39	S	98	Very high	95.1	Very high	78 Å²	78	76.3 Å²	76.3	55%	0.545	44%	0.435	S	S	.	.			trans	-93.3	137.8	174.3	-60.4	0	0	0	0	111.6	I98	S39-I98 CarbonylContact C-O 3.59Å; S39-I98 VanDerWaalsContact CA-O 3.26Å; S39-I98 WeakPolarHBondContact CA-O 3.47Å
40	A	97.5	Very high	95.7	Very high	7 Å²	7	73.3 Å²	73.3	6%	0.058	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.5	169.9	0	0	0	0	0	110.6	L32 V34 H97 I98 T101	L32-A40 HydrophobicContact CD2-CB 3.68Å; V34-A40 HydrophobicContact CG1-CB 4.02Å; V34-A40 HydrophobicContact CG2-CB 4.21Å; A40-H97 CarbonylContact O-C 3.55Å; A40-H97 VanDerWaalsContact O-CA 3.31Å; A40-H97 WeakPolarHBondContact O-CA 3.34Å; A40-I98 HydrophobicContact CB-CB 4.29Å; A40-I98 PolarHBondContact N-O 2.93Å; A40-I98 PolarHBondContact O-N 3.07Å; A40-T101 HydrophobicContact CB-CG2 3.86Å
41	V	97.7	Very high	96.3	Very high	55 Å²	55	67.6 Å²	67.6	33%	0.333	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.1	176.7	-175.5	0	0	0	0	109.8	L96 H97	V41-L96 CarbonylContact C-O 3.58Å; V41-L96 WeakPolarHBondContact CA-O 3.46Å; V41-H97 WeakPolarHBondContact CG2-ND1 3.47Å
42	I	97.6	Very high	96.6	Very high	28 Å²	28	64.3 Å²	64.3	14%	0.144	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.5	176.6	-48.7	-179.9	0	0	0	107.6	W56 S95 L96 Y109	I42-W56 HydrophobicContact CB-CH2 4.08Å; I42-W56 HydrophobicContact CB-CZ3 4.06Å; I42-W56 HydrophobicContact CG2-CH2 3.91Å; I42-W56 HydrophobicContact CG2-CZ3 3.76Å; I42-W56 WeakPolarHBondContact O-CH2 3.14Å; I42-S95 CarbonylContact O-C 3.6Å; I42-S95 WeakPolarHBondContact O-CA 3.06Å; I42-S95 WeakPolarHBondContact O-CB 3.3Å; I42-L96 HydrophobicContact CB-CB 4.45Å; I42-L96 PolarHBondContact N-O 3.03Å; I42-L96 PolarHBondContact O-N 2.81Å; I42-Y109 HydrophobicContact CD1-CD1 4.46Å; I42-Y109 HydrophobicContact CD1-CD2 3.76Å; I42-Y109 HydrophobicContact CD1-CG 3.68Å
43	N	97.7	Very high	96.8	Very high	55 Å²	55	62.1 Å²	62.1	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.5	-174.2	-67.7	-73.4	0	0	0	111.6	H28	H28-N43 PolarHBondContact N-O 2.88Å
44	C	97.7	Very high	96.9	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.7	172.2	-64	0	0	0	0	112	E26 Q27 W56 R93 F94 C111	E26-C44 CarbonylContact O-C 3.55Å; E26-C44 VanDerWaalsContact O-CA 3.28Å; E26-C44 WeakPolarHBondContact O-CA 3.45Å; Q27-C44 WeakPolarHBondContact CG-SG 3.26Å; C44-W56 HydrophobicContact CB-CH2 4.37Å; C44-W56 HydrophobicContact CB-CZ2 4.43Å; C44-W56 WeakPolarHBondContact SG-CH2 3.04Å; C44-R93 CarbonylContact O-C 3.56Å; C44-R93 VanDerWaalsContact O-CA 3.3Å; C44-R93 WeakPolarHBondContact O-CA 3.27Å; C44-F94 HydrophobicContact CB-CD1 3.9Å; C44-F94 HydrophobicContact CB-CD2 4.3Å; C44-F94 HydrophobicContact CB-CE1 3.48Å; C44-F94 VanDerWaalsContact CB-CE1 3.48Å; C44-F94 HydrophobicContact CB-CE2 3.96Å; C44-F94 HydrophobicContact CB-CG 4.28Å; C44-F94 HydrophobicContact CB-CZ 3.52Å; C44-F94 PolarHBondContact N-O 2.87Å; C44-F94 PolarHBondContact O-N 2.92Å; C44-F94 VanDerWaalsContact O-O 3.12Å; C44-C111 HydrophobicContact CB-CB 3.91Å; C44-C111 WeakPolarHBondContact CB-SG 3.36Å; C44-C111 WeakPolarHBondContact SG-CB 3.43Å; C44-C111 CovalentContact SG-SG 2.02Å; C44-C111 PolarHBondContact SG-SG 3.04Å
45	T	97.6	Very high	97	Very high	26 Å²	26	53.8 Å²	53.8	16%	0.16	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.9	167.5	45.2	0	0	0	0	109.7	V25 E26 H28 K92 R93	V25-T45 CarbonylContact C-O 3.49Å; V25-T45 VanDerWaalsContact CA-O 3.28Å; V25-T45 WeakPolarHBondContact CA-O 3.22Å; E26-T45 PolarHBondContact N-O 3.35Å; E26-T45 PolarHBondContact O-N 3.39Å; E26-T45 PolarHBondContact O-OG1 2.92Å; H28-T45 WeakPolarHBondContact NE2-CG2 3.42Å; T45-K92 WeakPolarHBondContact CA-O 3.46Å; T45-R93 HydrophobicContact CG2-CG 3.56Å
46	Y	96.4	Very high	97	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.4	174.1	67.1	-76.8	0	0	0	110.8	K24 D48 F54 L87 K89 K92 F94 A113	K24-Y46 CarbonylContact O-C 3.57Å; K24-Y46 VanDerWaalsContact O-CA 3.28Å; K24-Y46 WeakPolarHBondContact O-CA 3.4Å; Y46-D48 WeakPolarHBondContact CD2-O 3.41Å; Y46-D48 WeakPolarHBondContact CE2-O 3.46Å; Y46-F54 HydrophobicContact CD1-CD1 4.48Å; Y46-F54 AromaticContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD1-CE1 3.8Å; Y46-F54 AromaticContact CD2-CE1 3.99Å; Y46-F54 HydrophobicContact CD2-CE1 3.99Å; Y46-F54 HydrophobicContact CE1-CD1 4.42Å; Y46-F54 AromaticContact CE1-CE1 3.54Å; Y46-F54 HydrophobicContact CE1-CE1 3.54Å; Y46-F54 HydrophobicContact CE1-CZ 4.02Å; Y46-F54 AromaticContact CE2-CE1 3.75Å; Y46-F54 HydrophobicContact CE2-CE1 3.75Å; Y46-F54 AromaticContact CE2-CZ 3.91Å; Y46-F54 HydrophobicContact CE2-CZ 3.91Å; Y46-F54 HydrophobicContact CG-CE1 4.03Å; Y46-F54 AromaticContact CZ-CE1 3.54Å; Y46-F54 AromaticContact CZ-CZ 3.63Å; Y46-L87 HydrophobicContact CE1-CD1 4.34Å; Y46-K89 WeakPolarHBondContact OH-CA 3.28Å; Y46-K92 VanDerWaalsContact CD1-C 3.41Å; Y46-K92 HydrophobicContact CD1-CB 4.03Å; Y46-K92 VanDerWaalsContact CD1-O 3.22Å; Y46-K92 WeakPolarHBondContact CD1-O 3.45Å; Y46-K92 HydrophobicContact CE1-CB 3.82Å; Y46-K92 HydrophobicContact CE2-CB 4.31Å; Y46-K92 HydrophobicContact CE2-CG 4.45Å; Y46-K92 HydrophobicContact CG-CB 4.36Å; Y46-K92 PolarHBondContact N-O 2.87Å; Y46-K92 WeakPolarHBondContact O-CB 3.42Å; Y46-K92 WeakPolarHBondContact O-CD 3.31Å; Y46-F94 AromaticContact CD1-CD1 3.83Å; Y46-F94 HydrophobicContact CD1-CD1 3.83Å; Y46-F94 AromaticContact CD1-CE1 3.96Å; Y46-F94 HydrophobicContact CD1-CE1 3.96Å; Y46-F94 HydrophobicContact CE1-CD1 4.28Å; Y46-A113 HydrophobicContact CD2-CB 4.32Å; Y46-A113 HydrophobicContact CG-CB 4.13Å
47	T	95.5	Very high	97	Very high	68 Å²	68	40.6 Å²	40.6	42%	0.417	25%	0.249	S	C	.	.			trans	-105.2	-34.4	-176.3	55.4	0	0	0	0	114.2	K24 K92	K24-T47 HydrophobicContact CB-CG2 3.83Å; K24-T47 HydrophobicContact CD-CG2 4.5Å; K24-T47 PolarHBondContact N-OG1 2.86Å; K24-T47 VanDerWaalsContact N-OG1 3.13Å; K24-T47 PolarHBondContact O-N 2.02Å; K24-T47 PolarHBondContact O-OG1 2.9Å; T47-K92 PolarHBondContact O-NZ 2.87Å
48	D	94.3	Very high	97	Very high	58 Å²	58	39.4 Å²	39.4	31%	0.31	23%	0.231	S	C	.	.			trans	-74.6	127.4	-175.7	-176.3	6.5	0	0	0	111.1	E23 Y46 A50 S51	E23-D48 HydrophobicContact CG-CB 3.82Å; Y46-D48 WeakPolarHBondContact CD2-O 3.41Å; Y46-D48 WeakPolarHBondContact CE2-O 3.46Å; D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.42Å; D48-A50 PolarHBondContact OD1-N 2.94Å; D48-S51 WeakPolarHBondContact CB-OG 3.22Å; D48-S51 PolarHBondContact O-OG 3.27Å
49	T	92.4	Very high	97	Very high	95 Å²	95	38.3 Å²	38.3	58%	0.583	22%	0.223	S	C	*	.	S	Bend	trans	-76.4	-18.7	176.7	45.3	0	0	0	0	113.7	S51 K92	T49-S51 VanDerWaalsContact C-N 3.34Å; T49-K92 VanDerWaalsContact CG2-CE 3.43Å
50	A	94.5	Very high	96.9	Very high	72 Å²	72	36.7 Å²	36.7	60%	0.595	21%	0.207	S	C	*	.	S	Bend	trans	-80.2	-16.6	179.9	0	0	0	0	0	112.7	D48 S52	D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.42Å; D48-A50 PolarHBondContact OD1-N 2.94Å; A50-S52 PolarHBondContact O-N 3.36Å
51	S	95.8	Very high	96.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	25%	0.245	C	C	.	.			trans	-55.5	126.4	-179.9	-32.5	0	0	0	0	110.9	E23 D48 T49 F54 S114	E23-S51 PolarHBondContact OE1-OG 3.35Å; D48-S51 WeakPolarHBondContact CB-OG 3.22Å; D48-S51 PolarHBondContact O-OG 3.27Å; T49-S51 VanDerWaalsContact C-N 3.34Å; S51-F54 WeakPolarHBondContact O-CZ 3.31Å; S51-S114 CarbonylContact C-O 3.56Å; S51-S114 WeakPolarHBondContact CA-O 3.42Å
52	S	97.1	Very high	96.7	Very high	49 Å²	49	43.1 Å²	43.1	34%	0.343	28%	0.275	S	S	.	.			trans	-123	-10	-171.1	70.9	0	0	0	0	113.4	A50 R72 S73 S114	A50-S52 PolarHBondContact O-N 3.36Å; S52-R72 CarbonylContact O-C 3.59Å; S52-R72 WeakPolarHBondContact O-CA 3.49Å; S52-S73 PolarHBondContact O-N 3.25Å; S52-S114 PolarHBondContact N-O 2.97Å
53	Y	98	Very high	96.7	Very high	48 Å²	48	47.7 Å²	47.7	19%	0.188	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.3	-176.2	179.3	-123.5	0	0	0	111	P55 D70 A113 S114	Y53-P55 HydrophobicContact CD1-CG 4.04Å; Y53-P55 HydrophobicContact CE1-CB 3.81Å; Y53-P55 HydrophobicContact CE1-CG 3.59Å; Y53-D70 HydrophobicContact CD2-CB 4.21Å; Y53-D70 HydrophobicContact CE2-CB 3.43Å; Y53-D70 VanDerWaalsContact CE2-CB 3.43Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.39Å; Y53-A113 WeakPolarHBondContact O-CA 3.4Å; Y53-S114 PolarHBondContact N-O 3.24Å; Y53-S114 PolarHBondContact O-N 2.88Å
54	F	98.2	Very high	96.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	80.6	-172.8	-54.4	-88.2	0	0	0	110.6	Y46 S51 D70 I71 L87 F94 A112 A113	Y46-F54 HydrophobicContact CD1-CD1 4.48Å; Y46-F54 AromaticContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD1-CE1 3.8Å; Y46-F54 AromaticContact CD2-CE1 3.99Å; Y46-F54 HydrophobicContact CD2-CE1 3.99Å; Y46-F54 HydrophobicContact CE1-CD1 4.42Å; Y46-F54 AromaticContact CE1-CE1 3.54Å; Y46-F54 HydrophobicContact CE1-CE1 3.54Å; Y46-F54 HydrophobicContact CE1-CZ 4.02Å; Y46-F54 AromaticContact CE2-CE1 3.75Å; Y46-F54 HydrophobicContact CE2-CE1 3.75Å; Y46-F54 AromaticContact CE2-CZ 3.91Å; Y46-F54 HydrophobicContact CE2-CZ 3.91Å; Y46-F54 HydrophobicContact CG-CE1 4.03Å; Y46-F54 AromaticContact CZ-CE1 3.54Å; Y46-F54 AromaticContact CZ-CZ 3.63Å; S51-F54 WeakPolarHBondContact O-CZ 3.31Å; F54-D70 WeakPolarHBondContact O-CA 3.5Å; F54-I71 HydrophobicContact CB-CG2 3.78Å; F54-I71 HydrophobicContact CD2-CG2 4.2Å; F54-I71 HydrophobicContact CG-CG2 4.35Å; F54-I71 PolarHBondContact N-O 3.4Å; F54-I71 PolarHBondContact O-N 3.12Å; F54-I71 VanDerWaalsContact O-N 3.14Å; F54-L87 HydrophobicContact CD1-CD1 4.35Å; F54-L87 HydrophobicContact CD2-CD1 3.97Å; F54-L87 HydrophobicContact CD2-CD2 3.76Å; F54-L87 HydrophobicContact CE1-CD1 4.2Å; F54-L87 HydrophobicContact CE2-CD1 3.8Å; F54-L87 HydrophobicContact CE2-CD2 3.57Å; F54-L87 HydrophobicContact CE2-CG 4.38Å; F54-L87 HydrophobicContact CG-CD1 4.25Å; F54-L87 HydrophobicContact CZ-CD1 3.92Å; F54-L87 HydrophobicContact CZ-CD2 4.4Å; F54-F94 HydrophobicContact CB-CD2 3.95Å; F54-F94 HydrophobicContact CB-CE2 4.01Å; F54-F94 HydrophobicContact CB-CG 4.39Å; F54-F94 AromaticContact CD1-CD1 3.91Å; F54-F94 HydrophobicContact CD1-CD1 3.91Å; F54-F94 HydrophobicContact CD1-CD2 4.41Å; F54-F94 AromaticContact CD1-CE1 3.92Å; F54-F94 HydrophobicContact CD1-CE1 3.92Å; F54-F94 HydrophobicContact CD1-CE2 4.38Å; F54-F94 HydrophobicContact CD1-CG 4.18Å; F54-F94 HydrophobicContact CD1-CZ 4.17Å; F54-F94 HydrophobicContact CE1-CD1 4.47Å; F54-A112 WeakPolarHBondContact CA-O 3.28Å; F54-A113 HydrophobicContact CD1-CB 3.76Å; F54-A113 HydrophobicContact CE1-CB 3.78Å
55	P	98.2	Very high	96.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	151	-179.9	32.8	-35.7	0	0	0	112.6	Y53 Y57 F67 D70 A112	Y53-P55 HydrophobicContact CD1-CG 4.04Å; Y53-P55 HydrophobicContact CE1-CB 3.81Å; Y53-P55 HydrophobicContact CE1-CG 3.59Å; P55-Y57 HydrophobicContact CB-CE2 3.8Å; P55-Y57 HydrophobicContact CG-CE2 3.77Å; P55-F67 HydrophobicContact CB-CD2 4.34Å; P55-F67 HydrophobicContact CB-CE2 4.07Å; P55-D70 HydrophobicContact CB-CB 4.46Å; P55-A112 WeakPolarHBondContact CD-O 3.19Å; P55-A112 HydrophobicContact CG-CB 4.01Å; P55-A112 PolarHBondContact O-N 2.93Å; P55-A112 VanDerWaalsContact O-N 3.07Å
56	W	98.3	Very high	96.8	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.1	171.2	-71.4	86.3	0	0	0	110.7	I42 C44 V68 I69 F94 L96 F110 C111	I42-W56 HydrophobicContact CB-CH2 4.08Å; I42-W56 HydrophobicContact CB-CZ3 4.06Å; I42-W56 HydrophobicContact CG2-CH2 3.91Å; I42-W56 HydrophobicContact CG2-CZ3 3.76Å; I42-W56 WeakPolarHBondContact O-CH2 3.14Å; C44-W56 HydrophobicContact CB-CH2 4.37Å; C44-W56 HydrophobicContact CB-CZ2 4.43Å; C44-W56 WeakPolarHBondContact SG-CH2 3.04Å; W56-V68 PolarHBondContact O-N 3.25Å; W56-I69 HydrophobicContact CB-CG2 4.04Å; W56-I69 WeakPolarHBondContact CB-O 3.02Å; W56-I69 HydrophobicContact CG-CG2 4.44Å; W56-I69 PolarHBondContact N-O 3.47Å; W56-F94 AromaticContact CE2-CD2 3.82Å; W56-F94 AromaticContact CE2-CE2 3.87Å; W56-F94 AromaticContact CZ2-CD2 3.74Å; W56-F94 HydrophobicContact CZ2-CD2 3.74Å; W56-F94 AromaticContact CZ2-CE2 3.89Å; W56-F94 HydrophobicContact CZ2-CE2 3.89Å; W56-F94 AromaticContact NE1-CD2 3.53Å; W56-F94 AromaticContact NE1-CE2 3.78Å; W56-L96 HydrophobicContact CD2-CB 3.69Å; W56-L96 HydrophobicContact CD2-CD2 4.1Å; W56-L96 HydrophobicContact CD2-CG 4.39Å; W56-L96 HydrophobicContact CE3-CB 3.78Å; W56-L96 HydrophobicContact CE3-CD2 3.83Å; W56-L96 HydrophobicContact CE3-CG 4.43Å; W56-L96 HydrophobicContact CG-CB 4.35Å; W56-L96 HydrophobicContact CG-CD2 4.41Å; W56-L96 HydrophobicContact CH2-CB 3.79Å; W56-L96 HydrophobicContact CZ2-CB 3.73Å; W56-L96 HydrophobicContact CZ3-CB 3.82Å; W56-L96 HydrophobicContact CZ3-CD2 4.37Å; W56-F110 WeakPolarHBondContact CA-O 3.47Å; W56-C111 HydrophobicContact CD2-CB 3.99Å; W56-C111 HydrophobicContact CE3-CB 3.8Å; W56-C111 HydrophobicContact CH2-CB 3.73Å; W56-C111 HydrophobicContact CZ2-CB 3.87Å; W56-C111 HydrophobicContact CZ3-CB 3.68Å
57	Y	98.2	Very high	96.9	Very high	70 Å²	70	60.5 Å²	60.5	28%	0.275	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.5	179.5	-56	-92.6	0	0	0	110.4	P55 L65 H66 F67 Y109 F110	P55-Y57 HydrophobicContact CB-CE2 3.8Å; P55-Y57 HydrophobicContact CG-CE2 3.77Å; Y57-L65 VanDerWaalsContact CB-CD1 3.49Å; Y57-L65 HydrophobicContact CD1-CD2 4.35Å; Y57-L65 HydrophobicContact CD1-CG 4.26Å; Y57-L65 HydrophobicContact CG-CD1 4.42Å; Y57-L65 HydrophobicContact CG-CD2 4.23Å; Y57-L65 HydrophobicContact CG-CG 4.21Å; Y57-H66 CarbonylContact C-O 3.59Å; Y57-H66 WeakPolarHBondContact CA-O 3.47Å; Y57-H66 WeakPolarHBondContact CB-O 3.36Å; Y57-F67 HydrophobicContact CD1-CB 4.31Å; Y57-F67 HydrophobicContact CE1-CB 4.25Å; Y57-F67 HydrophobicContact CE1-CD2 4.37Å; Y57-Y109 CarbonylContact O-C 3.56Å; Y57-Y109 VanDerWaalsContact O-CA 3.3Å; Y57-Y109 WeakPolarHBondContact O-CA 3.42Å; Y57-F110 PolarHBondContact N-O 2.71Å; Y57-F110 PolarHBondContact O-N 2.8Å
58	K	97.9	Very high	97	Very high	19 Å²	19	59 Å²	59	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.6	174.6	178.1	-174.3	-171.8	-160.1	0	109.4	E60 H66 V68 E104 A107 I108 Y109	K58-E60 HydrophobicContact CD-CG 4.35Å; K58-E60 WeakPolarHBondContact CE-OE1 2.93Å; K58-E60 HydrophobicContact CG-CG 4.44Å; K58-E60 IonicContact NZ-OE1 2.59Å; K58-E60 PolarHBondContact NZ-OE1 3.49Å; K58-H66 PolarHBondContact N-O 2.85Å; K58-H66 PolarHBondContact O-CE1 3.21Å; K58-H66 PolarHBondContact O-N 3Å; K58-H66 PolarHBondContact O-ND1 3.38Å; K58-V68 HydrophobicContact CB-CG2 3.37Å; K58-E104 PolarHBondContact NZ-O 2.89Å; K58-A107 HydrophobicContact CD-CB 4.11Å; K58-A107 HydrophobicContact CG-CB 3.58Å; K58-I108 CarbonylContact C-O 3.59Å; K58-I108 WeakPolarHBondContact CA-O 3.43Å; K58-Y109 HydrophobicContact CB-CD1 4.16Å; K58-Y109 HydrophobicContact CB-CE1 3.94Å; K58-Y109 HydrophobicContact CD-CE1 4.16Å; K58-Y109 HydrophobicContact CG-CE1 4.02Å; K58-Y109 HydrophobicContact CG-CE2 4.47Å
59	Q	98.1	Very high	97.2	Very high	65 Å²	65	56.5 Å²	56.5	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109.1	171.2	-172.3	174.9	35.7	0	0	109.4	K63 L65 A107 I108 F110	Q59-K63 WeakPolarHBondContact CG-O 3.19Å; Q59-K63 PolarHBondContact NE2-O 3.19Å; Q59-L65 HydrophobicContact CB-CD1 3.95Å; Q59-A107 WeakPolarHBondContact O-CB 3.4Å; Q59-I108 HydrophobicContact CB-CB 4.47Å; Q59-I108 PolarHBondContact N-O 2.84Å; Q59-I108 PolarHBondContact O-N 2.62Å; Q59-F110 HydrophobicContact CB-CE2 3.94Å
60	E	97	Very high	97.4	Very high	44 Å²	44	53 Å²	53	21%	0.206	32%	0.317	C	S	.	.			trans	-78.3	155.8	171.7	-63.9	173.5	172.5	0	0	109.9	K58 G62 K63 A107	K58-E60 HydrophobicContact CD-CG 4.35Å; K58-E60 WeakPolarHBondContact CE-OE1 2.93Å; K58-E60 HydrophobicContact CG-CG 4.44Å; K58-E60 IonicContact NZ-OE1 2.59Å; K58-E60 PolarHBondContact NZ-OE1 3.49Å; E60-G62 PolarHBondContact O-N 3.1Å; E60-G62 VanDerWaalsContact O-N 3.16Å; E60-K63 HydrophobicContact CB-CB 4.14Å; E60-K63 HydrophobicContact CB-CD 4.03Å; E60-K63 HydrophobicContact CB-CG 4.09Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 WeakPolarHBondContact OE2-CD 3.4Å; E60-K63 WeakPolarHBondContact OE2-CE 3.45Å; E60-K63 IonicContact OE2-NZ 3.15Å; E60-K63 PolarHBondContact OE2-NZ 3.5Å; E60-A107 HydrophobicContact CG-CB 4.16Å
61	A	94.8	Very high	97.6	Very high	103 Å²	103	49.6 Å²	49.6	85%	0.851	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	122.8	-179.9	0	0	0	0	0	111.3	K63	A61-K63 PolarHBondContact O-N 2.94Å
62	G	96.4	Very high	97.8	Very high	93 Å²	93	55.3 Å²	55.3	96%	0.959	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	4.7	-179.4	0	0	0	0	0	115.6	E60	E60-G62 PolarHBondContact O-N 3.1Å; E60-G62 VanDerWaalsContact O-N 3.16Å
63	K	97.4	Very high	97.8	Very high	125 Å²	125	54.8 Å²	54.8	54%	0.543	31%	0.306	S	S	.	.	S	Bend	trans	-106.4	165.1	177.4	-57	-161.6	-167	167.3	0	112.2	Q59 E60 A61	Q59-K63 WeakPolarHBondContact CG-O 3.19Å; Q59-K63 PolarHBondContact NE2-O 3.19Å; E60-K63 HydrophobicContact CB-CB 4.14Å; E60-K63 HydrophobicContact CB-CD 4.03Å; E60-K63 HydrophobicContact CB-CG 4.09Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 WeakPolarHBondContact OE2-CD 3.4Å; E60-K63 WeakPolarHBondContact OE2-CE 3.45Å; E60-K63 IonicContact OE2-NZ 3.15Å; E60-K63 PolarHBondContact OE2-NZ 3.5Å; A61-K63 PolarHBondContact O-N 2.94Å
64	S	97.7	Very high	97.7	Very high	94 Å²	94	58.9 Å²	58.9	66%	0.657	33%	0.331	S	S	*	.			trans	-73.1	154.7	174.2	53.9	0	0	0	0	111.9
65	L	97.9	Very high	97.7	Very high	88 Å²	88	61.5 Å²	61.5	46%	0.461	35%	0.347	S	S	.	.			trans	-64.4	130.5	169.7	-170.1	70.2	0	0	0	109.5	Y57 Q59 F110	Y57-L65 VanDerWaalsContact CB-CD1 3.49Å; Y57-L65 HydrophobicContact CD1-CD2 4.35Å; Y57-L65 HydrophobicContact CD1-CG 4.26Å; Y57-L65 HydrophobicContact CG-CD1 4.42Å; Y57-L65 HydrophobicContact CG-CD2 4.23Å; Y57-L65 HydrophobicContact CG-CG 4.21Å; Q59-L65 HydrophobicContact CB-CD1 3.95Å; L65-F110 HydrophobicContact CD1-CD2 3.36Å; L65-F110 HydrophobicContact CD1-CE2 3.76Å; L65-F110 HydrophobicContact CD1-CG 4.25Å
66	H	98.1	Very high	97.7	Very high	75 Å²	75	66.7 Å²	66.7	35%	0.347	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.9	176.1	62.3	-83.9	0	0	0	111.6	Y57 K58	Y57-H66 CarbonylContact C-O 3.59Å; Y57-H66 WeakPolarHBondContact CA-O 3.47Å; Y57-H66 WeakPolarHBondContact CB-O 3.36Å; K58-H66 PolarHBondContact N-O 2.85Å; K58-H66 PolarHBondContact O-CE1 3.21Å; K58-H66 PolarHBondContact O-N 3Å; K58-H66 PolarHBondContact O-ND1 3.38Å
67	F	98.3	Very high	97.7	Very high	101 Å²	101	73.8 Å²	73.8	44%	0.443	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.6	177.1	174.9	-100.6	0	0	0	111.1	P55 Y57 I69 D70	P55-F67 HydrophobicContact CB-CD2 4.34Å; P55-F67 HydrophobicContact CB-CE2 4.07Å; Y57-F67 HydrophobicContact CD1-CB 4.31Å; Y57-F67 HydrophobicContact CE1-CB 4.25Å; Y57-F67 HydrophobicContact CE1-CD2 4.37Å; F67-I69 WeakPolarHBondContact CE2-O 3.33Å; F67-I69 VanDerWaalsContact CZ-C 3.42Å; F67-D70 HydrophobicContact CE2-CB 3.85Å; F67-D70 HydrophobicContact CZ-CB 3.85Å
68	V	97.6	Very high	97.7	Very high	36 Å²	36	74.5 Å²	74.5	22%	0.218	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-54.1	-178.7	-177.6	0	0	0	0	111.7	W56 K58 L83	W56-V68 PolarHBondContact O-N 3.25Å; K58-V68 HydrophobicContact CB-CG2 3.37Å; V68-L83 HydrophobicContact CG1-CD1 3.14Å
69	I	98.6	Very high	97.7	Very high	5 Å²	5	78.1 Å²	78.1	3%	0.026	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	155.8	-177.3	-171.5	160.8	0	0	0	109.1	W56 F67 K78 L83 V85 L96	W56-I69 HydrophobicContact CB-CG2 4.04Å; W56-I69 WeakPolarHBondContact CB-O 3.02Å; W56-I69 HydrophobicContact CG-CG2 4.44Å; W56-I69 PolarHBondContact N-O 3.47Å; F67-I69 WeakPolarHBondContact CE2-O 3.33Å; F67-I69 VanDerWaalsContact CZ-C 3.42Å; I69-K78 HydrophobicContact CD1-CG 4.43Å; I69-L83 HydrophobicContact CD1-CB 4.36Å; I69-V85 HydrophobicContact CB-CG2 4.25Å; I69-V85 HydrophobicContact CD1-CG2 3.97Å; I69-V85 HydrophobicContact CG1-CG2 3.87Å; I69-V85 HydrophobicContact CG2-CG2 3.42Å; I69-V85 VanDerWaalsContact CG2-CG2 3.42Å; I69-L96 HydrophobicContact CG2-CD1 3.79Å
70	D	98.3	Very high	97.7	Very high	23 Å²	23	77.7 Å²	77.7	12%	0.123	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	174.4	172.2	62.9	34	0	0	0	110.6	Y53 F54 P55 F67 K78	Y53-D70 HydrophobicContact CD2-CB 4.21Å; Y53-D70 HydrophobicContact CE2-CB 3.43Å; Y53-D70 VanDerWaalsContact CE2-CB 3.43Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.39Å; F54-D70 WeakPolarHBondContact O-CA 3.5Å; P55-D70 HydrophobicContact CB-CB 4.46Å; F67-D70 HydrophobicContact CE2-CB 3.85Å; F67-D70 HydrophobicContact CZ-CB 3.85Å; D70-K78 VanDerWaalsContact O-CD 3.27Å; D70-K78 WeakPolarHBondContact O-CD 3.35Å; D70-K78 IonicContact OD1-NZ 2.62Å; D70-K78 PolarHBondContact OD1-NZ 3.37Å
71	I	98.6	Very high	97.7	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.7	158.3	-165.8	163.5	0	0	0	109.5	F54 V75 K78 V85 L87	F54-I71 HydrophobicContact CB-CG2 3.78Å; F54-I71 HydrophobicContact CD2-CG2 4.2Å; F54-I71 HydrophobicContact CG-CG2 4.35Å; F54-I71 PolarHBondContact N-O 3.4Å; F54-I71 PolarHBondContact O-N 3.12Å; F54-I71 VanDerWaalsContact O-N 3.14Å; I71-V75 HydrophobicContact CD1-CB 4.44Å; I71-V75 HydrophobicContact CD1-CG1 4.23Å; I71-V75 VanDerWaalsContact CD1-O 3.23Å; I71-V75 WeakPolarHBondContact CD1-O 3.36Å; I71-V75 HydrophobicContact CG1-CB 4.11Å; I71-V75 HydrophobicContact CG1-CG1 4.28Å; I71-V75 WeakPolarHBondContact CG1-O 3.22Å; I71-K78 HydrophobicContact CB-CB 4.48Å; I71-K78 HydrophobicContact CD1-CB 4.05Å; I71-K78 HydrophobicContact CG1-CB 4.14Å; I71-V85 HydrophobicContact CB-CB 4.31Å; I71-V85 HydrophobicContact CB-CG1 3.85Å; I71-V85 HydrophobicContact CD1-CG1 4.38Å; I71-V85 HydrophobicContact CG2-CB 4.45Å; I71-V85 HydrophobicContact CG2-CG1 3.47Å; I71-V85 VanDerWaalsContact CG2-CG1 3.47Å; I71-L87 HydrophobicContact CD1-CB 3.99Å; I71-L87 HydrophobicContact CG2-CB 4.04Å; I71-L87 HydrophobicContact CG2-CD2 4.37Å
72	R	98.3	Very high	97.9	Very high	121 Å²	121	81.8 Å²	81.8	46%	0.457	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	150.2	177.1	-65.6	-75.8	179.4	174.6	-0.9	109.2	S52 N74 V75	S52-R72 CarbonylContact O-C 3.59Å; S52-R72 WeakPolarHBondContact O-CA 3.49Å; R72-N74 WeakPolarHBondContact CB-OD1 3.3Å; R72-N74 PolarHBondContact O-N 3.01Å; R72-V75 PolarHBondContact O-N 2.94Å; R72-V75 VanDerWaalsContact O-O 3.11Å
73	S	97.1	Very high	98	Very high	38 Å²	38	78.6 Å²	78.6	27%	0.266	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.9	-175.2	57.1	0	0	0	0	116.9	S52 V75	S52-S73 PolarHBondContact O-N 3.25Å; S73-V75 VanDerWaalsContact C-N 3.33Å
74	N	96.7	Very high	98	Very high	133 Å²	133	73.9 Å²	73.9	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	4.7	174.2	67.4	-47.4	0	0	0	113.3	R72	R72-N74 WeakPolarHBondContact CB-OD1 3.3Å; R72-N74 PolarHBondContact O-N 3.01Å
75	V	98.1	Very high	98.1	Very high	55 Å²	55	69.4 Å²	69.4	33%	0.333	34%	0.336	S	S	.	.			trans	-133.8	129.3	-177.4	-175.9	0	0	0	0	109	I71 R72 S73 R77	I71-V75 HydrophobicContact CD1-CB 4.44Å; I71-V75 HydrophobicContact CD1-CG1 4.23Å; I71-V75 VanDerWaalsContact CD1-O 3.23Å; I71-V75 WeakPolarHBondContact CD1-O 3.36Å; I71-V75 HydrophobicContact CG1-CB 4.11Å; I71-V75 HydrophobicContact CG1-CG1 4.28Å; I71-V75 WeakPolarHBondContact CG1-O 3.22Å; R72-V75 PolarHBondContact O-N 2.94Å; R72-V75 VanDerWaalsContact O-O 3.11Å; S73-V75 VanDerWaalsContact C-N 3.33Å; V75-R77 WeakPolarHBondContact CG1-O 3.33Å
76	D	98.2	Very high	98.1	Very high	112 Å²	112	68.2 Å²	68.2	60%	0.599	33%	0.33	S	S	*	.	S	Bend	trans	-92.8	-17.5	-179.1	-58.1	-30.9	0	0	0	112.9	L86 L87	D76-L86 WeakPolarHBondContact O-CA 3.19Å; D76-L87 PolarHBondContact O-N 3.29Å
77	R	98.7	Very high	98.1	Very high	150 Å²	150	65 Å²	65	57%	0.566	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	129.8	178	174.4	170.5	166.2	-101.7	-2.9	112	V75 I84 V85 L86	V75-R77 WeakPolarHBondContact CG1-O 3.33Å; R77-I84 HydrophobicContact CG-CG2 4.23Å; R77-V85 WeakPolarHBondContact CA-O 3.45Å; R77-L86 HydrophobicContact CB-CD2 3.78Å; R77-L86 HydrophobicContact CG-CD2 3.67Å
78	K	98.6	Very high	98.1	Very high	84 Å²	84	64.1 Å²	64.1	37%	0.365	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.5	170.4	-179.5	162.6	159.6	-172.1	0	110	I69 D70 I71 I84 V85	I69-K78 HydrophobicContact CD1-CG 4.43Å; D70-K78 VanDerWaalsContact O-CD 3.27Å; D70-K78 WeakPolarHBondContact O-CD 3.35Å; D70-K78 IonicContact OD1-NZ 2.62Å; D70-K78 PolarHBondContact OD1-NZ 3.37Å; I71-K78 HydrophobicContact CB-CB 4.48Å; I71-K78 HydrophobicContact CD1-CB 4.05Å; I71-K78 HydrophobicContact CG1-CB 4.14Å; K78-I84 CarbonylContact O-C 3.53Å; K78-I84 WeakPolarHBondContact O-CA 3.26Å; K78-V85 PolarHBondContact N-O 3.28Å; K78-V85 PolarHBondContact O-N 2.97Å
79	Q	98.4	Very high	98	Very high	96 Å²	96	67.4 Å²	67.4	45%	0.449	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.9	-179.8	178.7	166.9	-6.9	0	0	110.5	Q81 L83 I84	Q79-Q81 PolarHBondContact NE2-O 3.49Å; Q79-Q81 VanDerWaalsContact NE2-O 3.15Å; Q79-L83 CarbonylContact C-O 3.5Å; Q79-L83 WeakPolarHBondContact CA-O 3.11Å; Q79-I84 HydrophobicContact CB-CG1 4.07Å; Q79-I84 HydrophobicContact CG-CG1 3.67Å
80	S	97.9	Very high	97.9	Very high	56 Å²	56	76.8 Å²	76.8	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114	168.2	-174.4	0	0	0	0	108.4	R82 L83	S80-R82 PolarHBondContact O-N 2.88Å; S80-R82 VanDerWaalsContact O-N 3.15Å; S80-L83 PolarHBondContact N-O 3.06Å; S80-L83 WeakPolarHBondContact O-CB 3.3Å; S80-L83 PolarHBondContact O-N 3.49Å
81	Q	96.5	Very high	97.8	Very high	174 Å²	174	78 Å²	78	81%	0.813	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-119.9	-177.2	-54.4	174.8	-80	0	0	111.4	Q79 L83	Q79-Q81 PolarHBondContact NE2-O 3.49Å; Q79-Q81 VanDerWaalsContact NE2-O 3.15Å; Q81-L83 VanDerWaalsContact C-N 3.34Å
82	R	97.7	Very high	97.7	Very high	58 Å²	58	81.4 Å²	81.4	22%	0.219	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.9	179.4	-65.4	-170.1	-61.6	96.9	-3.8	113.9	S80 T99 A100 D105	S80-R82 PolarHBondContact O-N 2.88Å; S80-R82 VanDerWaalsContact O-N 3.15Å; R82-T99 WeakPolarHBondContact CA-OG1 3.23Å; R82-T99 WeakPolarHBondContact CB-O 3.38Å; R82-T99 WeakPolarHBondContact CD-O 3.37Å; R82-T99 PolarHBondContact NH1-O 2.86Å; R82-T99 VanDerWaalsContact NH1-O 3.16Å; R82-T99 PolarHBondContact O-N 2.94Å; R82-T99 PolarHBondContact O-OG1 3.18Å; R82-A100 PolarHBondContact NH1-O 3.15Å; R82-D105 IonicContact CZ-OD1 2.65Å; R82-D105 IonicContact CZ-OD2 3.7Å; R82-D105 IonicContact NH1-OD1 2.73Å; R82-D105 IonicContact NH1-OD2 3.58Å; R82-D105 PolarHBondContact NH1-OD2 2.79Å; R82-D105 IonicContact NH2-OD1 2.73Å; R82-D105 PolarHBondContact NH2-OD1 3.4Å; R82-D105 IonicContact NH2-OD2 2.88Å; R82-D105 PolarHBondContact NH2-OD2 2.85Å; R82-D105 VanDerWaalsContact NH2-OD2 3.15Å
83	L	98.6	Very high	97.7	Very high	26 Å²	26	80.9 Å²	80.9	14%	0.136	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.1	-175.8	-56.5	-180	0	0	0	111.1	V68 I69 Q79 S80 Q81 L96 H97 I98	V68-L83 HydrophobicContact CG1-CD1 3.14Å; I69-L83 HydrophobicContact CD1-CB 4.36Å; Q79-L83 CarbonylContact C-O 3.5Å; Q79-L83 WeakPolarHBondContact CA-O 3.11Å; S80-L83 PolarHBondContact N-O 3.06Å; S80-L83 WeakPolarHBondContact O-CB 3.3Å; S80-L83 PolarHBondContact O-N 3.49Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; L83-L96 HydrophobicContact CB-CD1 4.36Å; L83-L96 HydrophobicContact CD2-CD1 4.46Å; L83-H97 CarbonylContact C-O 3.58Å; L83-H97 WeakPolarHBondContact CA-O 3.48Å; L83-I98 HydrophobicContact CD2-CB 4.16Å; L83-I98 HydrophobicContact CD2-CD1 4.32Å; L83-I98 HydrophobicContact CD2-CG1 3.7Å; L83-I98 HydrophobicContact CD2-CG2 3.95Å
84	I	98.7	Very high	97.7	Very high	27 Å²	27	79.2 Å²	79.2	14%	0.138	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.9	177	-57.5	164.8	0	0	0	107.9	R77 K78 Q79 L86 H97 T99	R77-I84 HydrophobicContact CG-CG2 4.23Å; K78-I84 CarbonylContact O-C 3.53Å; K78-I84 WeakPolarHBondContact O-CA 3.26Å; Q79-I84 HydrophobicContact CB-CG1 4.07Å; Q79-I84 HydrophobicContact CG-CG1 3.67Å; I84-L86 HydrophobicContact CG2-CD2 3.97Å; I84-L86 HydrophobicContact CG2-CG 4.37Å; I84-H97 HydrophobicContact CB-CB 4.1Å; I84-H97 PolarHBondContact N-O 3.4Å; I84-H97 PolarHBondContact O-N 2.77Å; I84-T99 HydrophobicContact CD1-CG2 4.06Å
85	V	98.6	Very high	97.8	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.5	170.2	-175.4	0	0	0	0	108.8	I69 I71 R77 K78 S95 L96	I69-V85 HydrophobicContact CB-CG2 4.25Å; I69-V85 HydrophobicContact CD1-CG2 3.97Å; I69-V85 HydrophobicContact CG1-CG2 3.87Å; I69-V85 HydrophobicContact CG2-CG2 3.42Å; I69-V85 VanDerWaalsContact CG2-CG2 3.42Å; I71-V85 HydrophobicContact CB-CB 4.31Å; I71-V85 HydrophobicContact CB-CG1 3.85Å; I71-V85 HydrophobicContact CD1-CG1 4.38Å; I71-V85 HydrophobicContact CG2-CB 4.45Å; I71-V85 HydrophobicContact CG2-CG1 3.47Å; I71-V85 VanDerWaalsContact CG2-CG1 3.47Å; R77-V85 WeakPolarHBondContact CA-O 3.45Å; K78-V85 PolarHBondContact N-O 3.28Å; K78-V85 PolarHBondContact O-N 2.97Å; V85-S95 VanDerWaalsContact CA-O 3.26Å; V85-S95 WeakPolarHBondContact CA-O 3.41Å; V85-L96 HydrophobicContact CG2-CD1 3.97Å
86	L	98.7	Very high	97.8	Very high	62 Å²	62	70.8 Å²	70.8	33%	0.325	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141	171.6	-56.7	-179.4	0	0	0	109.4	D76 R77 I84 F94 S95	D76-L86 WeakPolarHBondContact O-CA 3.19Å; R77-L86 HydrophobicContact CB-CD2 3.78Å; R77-L86 HydrophobicContact CG-CD2 3.67Å; I84-L86 HydrophobicContact CG2-CD2 3.97Å; I84-L86 HydrophobicContact CG2-CG 4.37Å; L86-F94 CarbonylContact O-C 3.59Å; L86-F94 WeakPolarHBondContact O-CA 3.41Å; L86-F94 VanDerWaalsContact O-CB 3.3Å; L86-F94 WeakPolarHBondContact O-CB 3.34Å; L86-S95 PolarHBondContact N-O 2.92Å; L86-S95 PolarHBondContact O-N 3.01Å
87	L	98.7	Very high	97.8	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.4	176.4	175.4	64.2	0	0	0	109.6	Y46 F54 I71 D76 F94	Y46-L87 HydrophobicContact CE1-CD1 4.34Å; F54-L87 HydrophobicContact CD1-CD1 4.35Å; F54-L87 HydrophobicContact CD2-CD1 3.97Å; F54-L87 HydrophobicContact CD2-CD2 3.76Å; F54-L87 HydrophobicContact CE1-CD1 4.2Å; F54-L87 HydrophobicContact CE2-CD1 3.8Å; F54-L87 HydrophobicContact CE2-CD2 3.57Å; F54-L87 HydrophobicContact CE2-CG 4.38Å; F54-L87 HydrophobicContact CG-CD1 4.25Å; F54-L87 HydrophobicContact CZ-CD1 3.92Å; F54-L87 HydrophobicContact CZ-CD2 4.4Å; I71-L87 HydrophobicContact CD1-CB 3.99Å; I71-L87 HydrophobicContact CG2-CB 4.04Å; I71-L87 HydrophobicContact CG2-CD2 4.37Å; D76-L87 PolarHBondContact O-N 3.29Å; L87-F94 HydrophobicContact CD1-CB 3.87Å
88	D	97.8	Very high	97.8	Very high	82 Å²	82	60.8 Å²	60.8	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.2	165.9	-176.5	-17.6	0	0	0	108.5	K90 A91 K92 R93	D88-K90 VanDerWaalsContact C-N 3.27Å; D88-K90 PolarHBondContact O-N 3.4Å; D88-K90 WeakPolarHBondContact OD1-CB 3.42Å; D88-K90 PolarHBondContact OD1-N 3.31Å; D88-A91 HydrophobicContact CB-CB 4.12Å; D88-A91 VanDerWaalsContact CG-CB 3.41Å; D88-A91 PolarHBondContact O-N 2.97Å; D88-A91 PolarHBondContact OD1-N 3.24Å; D88-A91 VanDerWaalsContact OD2-CB 3.3Å; D88-A91 WeakPolarHBondContact OD2-CB 3.28Å; D88-K92 WeakPolarHBondContact O-CA 3.34Å; D88-K92 PolarHBondContact O-N 2.86Å; D88-R93 CarbonylContact C-O 3.48Å; D88-R93 PolarHBondContact N-O 3.04Å; D88-R93 PolarHBondContact O-N 2.9Å
89	K	95.7	Very high	97.8	Very high	104 Å²	104	58.8 Å²	58.8	45%	0.452	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.5	-179.5	-172.9	-178.2	163	178.7	0	112.6	Y46 K92	Y46-K89 WeakPolarHBondContact OH-CA 3.28Å; K89-K92 PolarHBondContact O-N 2.75Å
90	K	95.6	Very high	97.8	Very high	202 Å²	202	56.5 Å²	56.5	88%	0.878	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-41.8	-179.8	-175.3	-177.9	177.8	-176.1	0	110.5	D88 K92	D88-K90 VanDerWaalsContact C-N 3.27Å; D88-K90 PolarHBondContact O-N 3.4Å; D88-K90 WeakPolarHBondContact OD1-CB 3.42Å; D88-K90 PolarHBondContact OD1-N 3.31Å; K90-K92 VanDerWaalsContact C-N 3.26Å
91	A	96.8	Very high	97.8	Very high	50 Å²	50	54.2 Å²	54.2	41%	0.413	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.6	174.6	0	0	0	0	0	113.4	D88 R93	D88-A91 HydrophobicContact CB-CB 4.12Å; D88-A91 VanDerWaalsContact CG-CB 3.41Å; D88-A91 PolarHBondContact O-N 2.97Å; D88-A91 PolarHBondContact OD1-N 3.24Å; D88-A91 VanDerWaalsContact OD2-CB 3.3Å; D88-A91 WeakPolarHBondContact OD2-CB 3.28Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 HydrophobicContact CB-CB 4.37Å; A91-R93 HydrophobicContact CB-CG 4.31Å; A91-R93 WeakPolarHBondContact O-CG 3.45Å; A91-R93 PolarHBondContact O-N 3.15Å
92	K	96.8	Very high	97.9	Very high	70 Å²	70	50.2 Å²	50.2	30%	0.304	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	49	-171.9	-54.8	-177.9	-179	-178	0	112.7	T45 Y46 T47 T49 D88 K89 K90	T45-K92 WeakPolarHBondContact CA-O 3.46Å; Y46-K92 VanDerWaalsContact CD1-C 3.41Å; Y46-K92 HydrophobicContact CD1-CB 4.03Å; Y46-K92 VanDerWaalsContact CD1-O 3.22Å; Y46-K92 WeakPolarHBondContact CD1-O 3.45Å; Y46-K92 HydrophobicContact CE1-CB 3.82Å; Y46-K92 HydrophobicContact CE2-CB 4.31Å; Y46-K92 HydrophobicContact CE2-CG 4.45Å; Y46-K92 HydrophobicContact CG-CB 4.36Å; Y46-K92 PolarHBondContact N-O 2.87Å; Y46-K92 WeakPolarHBondContact O-CB 3.42Å; Y46-K92 WeakPolarHBondContact O-CD 3.31Å; T47-K92 PolarHBondContact O-NZ 2.87Å; T49-K92 VanDerWaalsContact CG2-CE 3.43Å; D88-K92 WeakPolarHBondContact O-CA 3.34Å; D88-K92 PolarHBondContact O-N 2.86Å; K89-K92 PolarHBondContact O-N 2.75Å; K90-K92 VanDerWaalsContact C-N 3.26Å
93	R	97.6	Very high	97.8	Very high	110 Å²	110	50.9 Å²	50.9	42%	0.415	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.6	-176.1	-74.2	172.5	75.1	138.5	5.5	110.7	C44 T45 D88 A91	C44-R93 CarbonylContact O-C 3.56Å; C44-R93 VanDerWaalsContact O-CA 3.3Å; C44-R93 WeakPolarHBondContact O-CA 3.27Å; T45-R93 HydrophobicContact CG2-CG 3.56Å; D88-R93 CarbonylContact C-O 3.48Å; D88-R93 PolarHBondContact N-O 3.04Å; D88-R93 PolarHBondContact O-N 2.9Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 HydrophobicContact CB-CB 4.37Å; A91-R93 HydrophobicContact CB-CG 4.31Å; A91-R93 WeakPolarHBondContact O-CG 3.45Å; A91-R93 PolarHBondContact O-N 3.15Å
94	F	98	Very high	97.7	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.7	171	62	-71.4	0	0	0	109.5	V25 C44 Y46 F54 W56 L86 L87 C111 A112	V25-F94 HydrophobicContact CG1-CE1 4.44Å; V25-F94 HydrophobicContact CG1-CZ 4.27Å; C44-F94 HydrophobicContact CB-CD1 3.9Å; C44-F94 HydrophobicContact CB-CD2 4.3Å; C44-F94 HydrophobicContact CB-CE1 3.48Å; C44-F94 VanDerWaalsContact CB-CE1 3.48Å; C44-F94 HydrophobicContact CB-CE2 3.96Å; C44-F94 HydrophobicContact CB-CG 4.28Å; C44-F94 HydrophobicContact CB-CZ 3.52Å; C44-F94 PolarHBondContact N-O 2.87Å; C44-F94 PolarHBondContact O-N 2.92Å; C44-F94 VanDerWaalsContact O-O 3.12Å; Y46-F94 AromaticContact CD1-CD1 3.83Å; Y46-F94 HydrophobicContact CD1-CD1 3.83Å; Y46-F94 AromaticContact CD1-CE1 3.96Å; Y46-F94 HydrophobicContact CD1-CE1 3.96Å; Y46-F94 HydrophobicContact CE1-CD1 4.28Å; F54-F94 HydrophobicContact CB-CD2 3.95Å; F54-F94 HydrophobicContact CB-CE2 4.01Å; F54-F94 HydrophobicContact CB-CG 4.39Å; F54-F94 AromaticContact CD1-CD1 3.91Å; F54-F94 HydrophobicContact CD1-CD1 3.91Å; F54-F94 HydrophobicContact CD1-CD2 4.41Å; F54-F94 AromaticContact CD1-CE1 3.92Å; F54-F94 HydrophobicContact CD1-CE1 3.92Å; F54-F94 HydrophobicContact CD1-CE2 4.38Å; F54-F94 HydrophobicContact CD1-CG 4.18Å; F54-F94 HydrophobicContact CD1-CZ 4.17Å; F54-F94 HydrophobicContact CE1-CD1 4.47Å; W56-F94 AromaticContact CE2-CD2 3.82Å; W56-F94 AromaticContact CE2-CE2 3.87Å; W56-F94 AromaticContact CZ2-CD2 3.74Å; W56-F94 HydrophobicContact CZ2-CD2 3.74Å; W56-F94 AromaticContact CZ2-CE2 3.89Å; W56-F94 HydrophobicContact CZ2-CE2 3.89Å; W56-F94 AromaticContact NE1-CD2 3.53Å; W56-F94 AromaticContact NE1-CE2 3.78Å; L86-F94 CarbonylContact O-C 3.59Å; L86-F94 WeakPolarHBondContact O-CA 3.41Å; L86-F94 VanDerWaalsContact O-CB 3.3Å; L86-F94 WeakPolarHBondContact O-CB 3.34Å; L87-F94 HydrophobicContact CD1-CB 3.87Å; F94-C111 HydrophobicContact CE2-CB 3.55Å; F94-C111 HydrophobicContact CZ-CB 3.68Å; F94-A112 WeakPolarHBondContact CZ-O 3.31Å
95	S	98.2	Very high	97.6	Very high	11 Å²	11	55 Å²	55	8%	0.077	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.6	-175	61	0	0	0	0	111.9	I42 V85 L86 H97	I42-S95 CarbonylContact O-C 3.6Å; I42-S95 WeakPolarHBondContact O-CA 3.06Å; I42-S95 WeakPolarHBondContact O-CB 3.3Å; V85-S95 VanDerWaalsContact CA-O 3.26Å; V85-S95 WeakPolarHBondContact CA-O 3.41Å; L86-S95 PolarHBondContact N-O 2.92Å; L86-S95 PolarHBondContact O-N 3.01Å; S95-H97 PolarHBondContact OG-CD2 3.13Å; S95-H97 VanDerWaalsContact OG-CD2 3.24Å; S95-H97 PolarHBondContact OG-NE2 2.6Å
96	L	98.4	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122	167.8	178.5	65.5	0	0	0	108.6	V41 I42 W56 I69 L83 V85 I98 Y109	V41-L96 CarbonylContact C-O 3.58Å; V41-L96 WeakPolarHBondContact CA-O 3.46Å; I42-L96 HydrophobicContact CB-CB 4.45Å; I42-L96 PolarHBondContact N-O 3.03Å; I42-L96 PolarHBondContact O-N 2.81Å; W56-L96 HydrophobicContact CD2-CB 3.69Å; W56-L96 HydrophobicContact CD2-CD2 4.1Å; W56-L96 HydrophobicContact CD2-CG 4.39Å; W56-L96 HydrophobicContact CE3-CB 3.78Å; W56-L96 HydrophobicContact CE3-CD2 3.83Å; W56-L96 HydrophobicContact CE3-CG 4.43Å; W56-L96 HydrophobicContact CG-CB 4.35Å; W56-L96 HydrophobicContact CG-CD2 4.41Å; W56-L96 HydrophobicContact CH2-CB 3.79Å; W56-L96 HydrophobicContact CZ2-CB 3.73Å; W56-L96 HydrophobicContact CZ3-CB 3.82Å; W56-L96 HydrophobicContact CZ3-CD2 4.37Å; I69-L96 HydrophobicContact CG2-CD1 3.79Å; L83-L96 HydrophobicContact CB-CD1 4.36Å; L83-L96 HydrophobicContact CD2-CD1 4.46Å; V85-L96 HydrophobicContact CG2-CD1 3.97Å; L96-I98 HydrophobicContact CG-CG1 4.34Å; L96-Y109 HydrophobicContact CD2-CD1 3.49Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.49Å; L96-Y109 HydrophobicContact CD2-CE1 3.85Å; L96-Y109 HydrophobicContact CD2-CG 4.28Å
97	H	98.5	Very high	97.4	Very high	47 Å²	47	58.2 Å²	58.2	22%	0.218	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.3	173.5	-68.3	-125.2	0	0	0	108.7	A40 V41 L83 I84 S95	A40-H97 CarbonylContact O-C 3.55Å; A40-H97 VanDerWaalsContact O-CA 3.31Å; A40-H97 WeakPolarHBondContact O-CA 3.34Å; V41-H97 WeakPolarHBondContact CG2-ND1 3.47Å; L83-H97 CarbonylContact C-O 3.58Å; L83-H97 WeakPolarHBondContact CA-O 3.48Å; I84-H97 HydrophobicContact CB-CB 4.1Å; I84-H97 PolarHBondContact N-O 3.4Å; I84-H97 PolarHBondContact O-N 2.77Å; S95-H97 PolarHBondContact OG-CD2 3.13Å; S95-H97 VanDerWaalsContact OG-CD2 3.24Å; S95-H97 PolarHBondContact OG-NE2 2.6Å
98	I	98.4	Very high	97.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.8	174	-48.3	-178.7	0	0	0	106.5	S39 A40 L83 L96 T101 D105 Y109	S39-I98 CarbonylContact C-O 3.59Å; S39-I98 VanDerWaalsContact CA-O 3.26Å; S39-I98 WeakPolarHBondContact CA-O 3.47Å; A40-I98 HydrophobicContact CB-CB 4.29Å; A40-I98 PolarHBondContact N-O 2.93Å; A40-I98 PolarHBondContact O-N 3.07Å; L83-I98 HydrophobicContact CD2-CB 4.16Å; L83-I98 HydrophobicContact CD2-CD1 4.32Å; L83-I98 HydrophobicContact CD2-CG1 3.7Å; L83-I98 HydrophobicContact CD2-CG2 3.95Å; L96-I98 HydrophobicContact CG-CG1 4.34Å; I98-T101 HydrophobicContact CB-CG2 4.09Å; I98-T101 HydrophobicContact CG2-CG2 3.87Å; I98-D105 HydrophobicContact CG2-CB 4.43Å; I98-D105 WeakPolarHBondContact CG2-OD2 3.4Å; I98-Y109 HydrophobicContact CD1-CE1 4.03Å; I98-Y109 HydrophobicContact CD1-CE2 4.03Å
99	T	98.3	Very high	97.3	Very high	42 Å²	42	59.4 Å²	59.4	26%	0.258	31%	0.313	S	S	.	.	S	Bend	trans	-90.9	151.4	178	58	0	0	0	0	110.5	R82 I84 T101	R82-T99 WeakPolarHBondContact CA-OG1 3.23Å; R82-T99 WeakPolarHBondContact CB-O 3.38Å; R82-T99 WeakPolarHBondContact CD-O 3.37Å; R82-T99 PolarHBondContact NH1-O 2.86Å; R82-T99 VanDerWaalsContact NH1-O 3.16Å; R82-T99 PolarHBondContact O-N 2.94Å; R82-T99 PolarHBondContact O-OG1 3.18Å; I84-T99 HydrophobicContact CD1-CG2 4.06Å; T99-T101 VanDerWaalsContact C-N 3.35Å; T99-T101 PolarHBondContact O-N 2.93Å
100	A	97.9	Very high	97.3	Very high	49 Å²	49	58.1 Å²	58.1	41%	0.405	31%	0.308	S	S	.	.	S	Bend	trans	46.1	59.5	180	0	0	0	0	0	111.4	G37 R82	G37-A100 WeakPolarHBondContact O-CA 3.33Å; R82-A100 PolarHBondContact NH1-O 3.15Å
101	T	98.3	Very high	97.4	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.049	27%	0.271	C	S	.	.			trans	-57.7	141.1	-173	48.9	0	0	0	0	111.7	V34 R35 E36 G37 D38 A40 I98 T99 D105	V34-T101 HydrophobicContact CG2-CG2 4.11Å; R35-T101 PolarHBondContact O-OG1 3.32Å; E36-T101 WeakPolarHBondContact CG-O 3Å; G37-T101 PolarHBondContact N-O 3.15Å; D38-T101 WeakPolarHBondContact O-CB 3.19Å; D38-T101 VanDerWaalsContact O-CG2 3.22Å; D38-T101 WeakPolarHBondContact O-CG2 3.17Å; D38-T101 PolarHBondContact O-N 3.49Å; D38-T101 PolarHBondContact O-OG1 2.95Å; A40-T101 HydrophobicContact CB-CG2 3.86Å; I98-T101 HydrophobicContact CB-CG2 4.09Å; I98-T101 HydrophobicContact CG2-CG2 3.87Å; T99-T101 VanDerWaalsContact C-N 3.35Å; T99-T101 PolarHBondContact O-N 2.93Å; T101-D105 WeakPolarHBondContact CA-OD2 3.37Å
102	Q	98	Very high	97.4	Very high	90 Å²	90	48.4 Å²	48.4	42%	0.421	26%	0.264	S	S	.	.			trans	-120.4	157.8	-179	-59.6	176.9	-33.3	0	0	109.7	E104 D105	Q102-E104 VanDerWaalsContact CB-OE2 3.24Å; Q102-E104 WeakPolarHBondContact CB-OE2 3.42Å; Q102-E104 PolarHBondContact O-N 3.42Å; Q102-E104 VanDerWaalsContact O-N 3.09Å; Q102-D105 PolarHBondContact N-OD2 2.87Å; Q102-D105 WeakPolarHBondContact O-CB 3.09Å; Q102-D105 PolarHBondContact O-N 3Å
103	P	96.5	Very high	97.4	Very high	71 Å²	71	45.6 Å²	45.6	46%	0.461	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-51.9	-34.3	176.7	-28.5	36.8	0	0	0	113.6	D105 S106	P103-D105 PolarHBondContact O-N 3.39Å; P103-S106 VanDerWaalsContact O-CB 3.22Å; P103-S106 WeakPolarHBondContact O-CB 3.27Å; P103-S106 PolarHBondContact O-N 2.79Å; P103-S106 VanDerWaalsContact O-N 3.1Å; P103-S106 PolarHBondContact O-OG 2.95Å
104	E	95.8	Very high	97.3	Very high	118 Å²	118	44.2 Å²	44.2	55%	0.551	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.3	178.2	-59	72.9	-156.6	0	0	113.4	K58 Q102 S106	K58-E104 PolarHBondContact NZ-O 2.89Å; Q102-E104 VanDerWaalsContact CB-OE2 3.24Å; Q102-E104 WeakPolarHBondContact CB-OE2 3.42Å; Q102-E104 PolarHBondContact O-N 3.42Å; Q102-E104 VanDerWaalsContact O-N 3.09Å; E104-S106 PolarHBondContact O-N 2.78Å
105	D	97	Very high	97.2	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.112	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-75.6	-8.2	174.1	-60.9	-37.2	0	0	0	112	R82 I98 T101 Q102 P103 A107 Y109	R82-D105 IonicContact CZ-OD1 2.65Å; R82-D105 IonicContact CZ-OD2 3.7Å; R82-D105 IonicContact NH1-OD1 2.73Å; R82-D105 IonicContact NH1-OD2 3.58Å; R82-D105 PolarHBondContact NH1-OD2 2.79Å; R82-D105 IonicContact NH2-OD1 2.73Å; R82-D105 PolarHBondContact NH2-OD1 3.4Å; R82-D105 IonicContact NH2-OD2 2.88Å; R82-D105 PolarHBondContact NH2-OD2 2.85Å; R82-D105 VanDerWaalsContact NH2-OD2 3.15Å; I98-D105 HydrophobicContact CG2-CB 4.43Å; I98-D105 WeakPolarHBondContact CG2-OD2 3.4Å; T101-D105 WeakPolarHBondContact CA-OD2 3.37Å; Q102-D105 PolarHBondContact N-OD2 2.87Å; Q102-D105 WeakPolarHBondContact O-CB 3.09Å; Q102-D105 PolarHBondContact O-N 3Å; P103-D105 PolarHBondContact O-N 3.39Å; D105-A107 PolarHBondContact O-N 3.14Å; D105-Y109 WeakPolarHBondContact O-CE2 3.38Å; D105-Y109 PolarHBondContact O-OH 2.93Å
106	S	96.6	Very high	97.2	Very high	96 Å²	96	48.1 Å²	48.1	67%	0.671	28%	0.284	S	S	*	.			trans	-68	100.7	177.5	-55.5	0	0	0	0	111.2	P103 E104	P103-S106 VanDerWaalsContact O-CB 3.22Å; P103-S106 WeakPolarHBondContact O-CB 3.27Å; P103-S106 PolarHBondContact O-N 2.79Å; P103-S106 VanDerWaalsContact O-N 3.1Å; P103-S106 PolarHBondContact O-OG 2.95Å; E104-S106 PolarHBondContact O-N 2.78Å
107	A	97	Very high	97.1	Very high	34 Å²	34	50.8 Å²	50.8	28%	0.281	30%	0.3	S	S	.	.	S	Bend	trans	-161.7	173.3	-175.8	0	0	0	0	0	111.6	K58 Q59 E60 D105 Y109	K58-A107 HydrophobicContact CD-CB 4.11Å; K58-A107 HydrophobicContact CG-CB 3.58Å; Q59-A107 WeakPolarHBondContact O-CB 3.4Å; E60-A107 HydrophobicContact CG-CB 4.16Å; D105-A107 PolarHBondContact O-N 3.14Å; A107-Y109 HydrophobicContact CB-CD2 4.48Å; A107-Y109 HydrophobicContact CB-CE2 3.99Å
108	I	96.8	Very high	97	Very high	98 Å²	98	51 Å²	51	50%	0.503	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.6	166.1	-54.3	173.8	0	0	0	107.9	K58 Q59 F110	K58-I108 CarbonylContact C-O 3.59Å; K58-I108 WeakPolarHBondContact CA-O 3.43Å; Q59-I108 HydrophobicContact CB-CB 4.47Å; Q59-I108 PolarHBondContact N-O 2.84Å; Q59-I108 PolarHBondContact O-N 2.62Å; I108-F110 HydrophobicContact CB-CE2 3.97Å; I108-F110 HydrophobicContact CB-CZ 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.01Å; I108-F110 HydrophobicContact CG2-CE1 4.08Å; I108-F110 HydrophobicContact CG2-CE2 3.37Å; I108-F110 HydrophobicContact CG2-CZ 3.42Å; I108-F110 VanDerWaalsContact CG2-CZ 3.42Å
109	Y	97.2	Very high	97	Very high	18 Å²	18	53.9 Å²	53.9	7%	0.071	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	174.6	-71.4	-98.2	0	0	0	109.9	Q27 I42 Y57 K58 L96 I98 D105 A107	Q27-Y109 PolarHBondContact NE2-O 3.04Å; I42-Y109 HydrophobicContact CD1-CD1 4.46Å; I42-Y109 HydrophobicContact CD1-CD2 3.76Å; I42-Y109 HydrophobicContact CD1-CG 3.68Å; Y57-Y109 CarbonylContact O-C 3.56Å; Y57-Y109 VanDerWaalsContact O-CA 3.3Å; Y57-Y109 WeakPolarHBondContact O-CA 3.42Å; K58-Y109 HydrophobicContact CB-CD1 4.16Å; K58-Y109 HydrophobicContact CB-CE1 3.94Å; K58-Y109 HydrophobicContact CD-CE1 4.16Å; K58-Y109 HydrophobicContact CG-CE1 4.02Å; K58-Y109 HydrophobicContact CG-CE2 4.47Å; L96-Y109 HydrophobicContact CD2-CD1 3.49Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.49Å; L96-Y109 HydrophobicContact CD2-CE1 3.85Å; L96-Y109 HydrophobicContact CD2-CG 4.28Å; I98-Y109 HydrophobicContact CD1-CE1 4.03Å; I98-Y109 HydrophobicContact CD1-CE2 4.03Å; D105-Y109 WeakPolarHBondContact O-CE2 3.38Å; D105-Y109 PolarHBondContact O-OH 2.93Å; A107-Y109 HydrophobicContact CB-CD2 4.48Å; A107-Y109 HydrophobicContact CB-CE2 3.99Å
110	F	96.8	Very high	96.9	Very high	77 Å²	77	54.7 Å²	54.7	34%	0.338	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.6	178.6	-60.4	-92	0	0	0	109.6	W56 Y57 Q59 L65 I108	W56-F110 WeakPolarHBondContact CA-O 3.47Å; Y57-F110 PolarHBondContact N-O 2.71Å; Y57-F110 PolarHBondContact O-N 2.8Å; Q59-F110 HydrophobicContact CB-CE2 3.94Å; L65-F110 HydrophobicContact CD1-CD2 3.36Å; L65-F110 HydrophobicContact CD1-CE2 3.76Å; L65-F110 HydrophobicContact CD1-CG 4.25Å; I108-F110 HydrophobicContact CB-CE2 3.97Å; I108-F110 HydrophobicContact CB-CZ 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.01Å; I108-F110 HydrophobicContact CG2-CE1 4.08Å; I108-F110 HydrophobicContact CG2-CE2 3.37Å; I108-F110 HydrophobicContact CG2-CZ 3.42Å; I108-F110 VanDerWaalsContact CG2-CZ 3.42Å
111	C	97.3	Very high	96.8	Very high	16 Å²	16	55.1 Å²	55.1	11%	0.108	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	153.4	170.7	61.2	0	0	0	0	111	Q27 C44 W56 F94	Q27-C111 WeakPolarHBondContact CG-SG 3.18Å; C44-C111 HydrophobicContact CB-CB 3.91Å; C44-C111 WeakPolarHBondContact CB-SG 3.36Å; C44-C111 WeakPolarHBondContact SG-CB 3.43Å; C44-C111 CovalentContact SG-SG 2.02Å; C44-C111 PolarHBondContact SG-SG 3.04Å; W56-C111 HydrophobicContact CD2-CB 3.99Å; W56-C111 HydrophobicContact CE3-CB 3.8Å; W56-C111 HydrophobicContact CH2-CB 3.73Å; W56-C111 HydrophobicContact CZ2-CB 3.87Å; W56-C111 HydrophobicContact CZ3-CB 3.68Å; F94-C111 HydrophobicContact CE2-CB 3.55Å; F94-C111 HydrophobicContact CZ-CB 3.68Å
112	A	96.9	Very high	96.7	Very high	32 Å²	32	58.8 Å²	58.8	26%	0.264	34%	0.342	S	S	.	.			trans	-138.6	164.6	169.3	0	0	0	0	0	110.8	F54 P55 F94	F54-A112 WeakPolarHBondContact CA-O 3.28Å; P55-A112 WeakPolarHBondContact CD-O 3.19Å; P55-A112 HydrophobicContact CG-CB 4.01Å; P55-A112 PolarHBondContact O-N 2.93Å; P55-A112 VanDerWaalsContact O-N 3.07Å; F94-A112 WeakPolarHBondContact CZ-O 3.31Å
113	A	97.1	Very high	96.6	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	34%	0.335	C	S	.	.			trans	-135.3	142.9	171.5	0	0	0	0	0	107.9	E23 V25 Y46 Y53 F54	E23-A113 VanDerWaalsContact OE1-CB 3.27Å; E23-A113 WeakPolarHBondContact OE1-CB 3.3Å; V25-A113 HydrophobicContact CG2-CB 3.81Å; Y46-A113 HydrophobicContact CD2-CB 4.32Å; Y46-A113 HydrophobicContact CG-CB 4.13Å; Y53-A113 WeakPolarHBondContact O-CA 3.4Å; F54-A113 HydrophobicContact CD1-CB 3.76Å; F54-A113 HydrophobicContact CE1-CB 3.78Å
114	S	93.9	Very high	96.6	Very high	82 Å²	82	54.8 Å²	54.8	57%	0.573	32%	0.324	S	S	*	.			trans	-161.1	0	178.9	62.5	0	0	0	0	111.6	S51 S52 Y53	S51-S114 CarbonylContact C-O 3.56Å; S51-S114 WeakPolarHBondContact CA-O 3.42Å; S52-S114 PolarHBondContact N-O 2.97Å; Y53-S114 PolarHBondContact N-O 3.24Å; Y53-S114 PolarHBondContact O-N 2.88Å

Retrieved 114 of 114 residues in 141.9 ms (Link to these results)

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