A0A075B5R6_MOUSE Loading...

Immunoglobulin heavy variable 11-1

AlphaFold DB , UniProt , Accession A0A075B5R6, Species MOUSE (Mus musculus, Mouse), Gene Ighv11-1, Length 117 aa.

						>A0A075B5R6_MOUSE|A0A075B5R6|Ighv11-1
MEWELSLIFIFALLKDVQCEVQLLETGEGLVPPGGSRGLSCEGSGFTFSGFWMSWVRQTPGKTLEWIGDINSDGSAINYAPSIKDRFTIFRDNDKSTLYLQMSNVRSEDTATYFCMR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.6	Low	68.9	Low	189 Å²	189	122.6 Å²	122.6	93%	0.931	59%	0.588	S	S	*	*				0	-26	0	-131.9	164.2	62.8	0	0	112.6
2	E	68.9	Low	68.9	Low	169 Å²	169	117.6 Å²	117.6	79%	0.79	58%	0.582	S	S	*	*	H	α-helix	trans	-79.7	-28.1	-179.3	-60.3	-168.3	164.5	0	0	115.1	L5 S6	E2-L5 PolarHBondContact O-N 2.87Å; E2-S6 PolarHBondContact O-N 3.42Å
3	W	63.8	Low	68.7	Low	170 Å²	170	118.2 Å²	118.2	64%	0.644	59%	0.588	S	S	*	*	H	α-helix	trans	-71.7	-33.4	-178.9	49.1	-93.8	0	0	0	113.3	S6 L7	W3-S6 PolarHBondContact O-N 3.39Å; W3-L7 PolarHBondContact O-N 2.85Å
4	E	72.3	Confident	68.3	Low	94 Å²	94	117.9 Å²	117.9	44%	0.439	59%	0.589	S	S	.	*	H	α-helix	trans	-62.9	-44.3	173.4	-69.2	-72.9	-176.1	0	0	111.4	S6 L7 I8	E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 2.68Å; E4-L7 PolarHBondContact O-N 3.11Å; E4-I8 VanDerWaalsContact O-CG1 3.29Å; E4-I8 WeakPolarHBondContact O-CG1 3.5Å; E4-I8 PolarHBondContact O-N 3.04Å
5	L	69.7	Low	67.7	Low	106 Å²	106	120.6 Å²	120.6	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-65	-36.9	178.4	-65.2	173.3	0	0	0	111.9	E2 I8 F9	E2-L5 PolarHBondContact O-N 2.87Å; L5-I8 PolarHBondContact O-N 2.78Å; L5-F9 PolarHBondContact O-N 3.28Å
6	S	75.5	Confident	67	Low	68 Å²	68	122.1 Å²	122.1	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-64.6	-42.3	177.8	-166	0	0	0	0	112	E2 W3 E4 F9 I10	E2-S6 PolarHBondContact O-N 3.42Å; W3-S6 PolarHBondContact O-N 3.39Å; E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 2.68Å; S6-F9 WeakPolarHBondContact O-CB 3.4Å; S6-F9 PolarHBondContact O-N 3.22Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.2Å
7	L	70	Confident	66.7	Low	85 Å²	85	121.5 Å²	121.5	45%	0.445	61%	0.611	S	S	.	*	H	α-helix	trans	-65.7	-43.5	175	-71.5	174	0	0	0	111.9	W3 E4 F9 I10 F11	W3-L7 PolarHBondContact O-N 2.85Å; E4-L7 PolarHBondContact O-N 3.11Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3Å; L7-I10 PolarHBondContact O-N 3.41Å; L7-I10 VanDerWaalsContact O-N 3.15Å; L7-F11 HydrophobicContact CB-CE2 4.44Å; L7-F11 WeakPolarHBondContact O-CD2 3.32Å; L7-F11 PolarHBondContact O-N 2.76Å
8	I	74.4	Confident	66.3	Low	107 Å²	107	120.6 Å²	120.6	55%	0.549	60%	0.604	S	S	.	*	H	α-helix	trans	-57.6	-42	175.4	-67.8	166.2	0	0	0	110.5	E4 L5 F11 A12	E4-I8 VanDerWaalsContact O-CG1 3.29Å; E4-I8 WeakPolarHBondContact O-CG1 3.5Å; E4-I8 PolarHBondContact O-N 3.04Å; L5-I8 PolarHBondContact O-N 2.78Å; I8-F11 PolarHBondContact O-N 2.85Å; I8-A12 WeakPolarHBondContact O-CB 3.17Å; I8-A12 PolarHBondContact O-N 2.85Å
9	F	68.1	Low	66.6	Low	148 Å²	148	120.4 Å²	120.4	65%	0.649	61%	0.614	S	S	*	*	H	α-helix	trans	-61.9	-44.8	174.6	-108.1	-86.9	0	0	0	112.6	L5 S6 L7 A12 L13	L5-F9 PolarHBondContact O-N 3.28Å; S6-F9 WeakPolarHBondContact O-CB 3.4Å; S6-F9 PolarHBondContact O-N 3.22Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3Å; F9-A12 PolarHBondContact O-N 3.21Å; F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.15Å; F9-L13 PolarHBondContact O-N 3.46Å
10	I	67.7	Low	67.7	Low	81 Å²	81	121.3 Å²	121.3	42%	0.415	62%	0.615	S	S	.	*	H	α-helix	trans	-63.6	-44.7	178.4	-67	163.5	0	0	0	111.2	S6 L7 A12 L13 L14	S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.2Å; L7-I10 PolarHBondContact O-N 3.41Å; L7-I10 VanDerWaalsContact O-N 3.15Å; I10-A12 VanDerWaalsContact C-N 3.3Å; I10-A12 PolarHBondContact O-N 3.37Å; I10-L13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 3.91Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.42Å
11	F	66.1	Low	68.8	Low	132 Å²	132	118.5 Å²	118.5	58%	0.579	60%	0.604	S	S	*	*	H	α-helix	trans	-65.9	-32.3	177	-75.2	-65.6	0	0	0	112.6	L7 I8 K15	L7-F11 HydrophobicContact CB-CE2 4.44Å; L7-F11 WeakPolarHBondContact O-CD2 3.32Å; L7-F11 PolarHBondContact O-N 2.76Å; I8-F11 PolarHBondContact O-N 2.85Å; F11-K15 WeakPolarHBondContact O-CG 3.37Å; F11-K15 PolarHBondContact O-N 3.07Å
12	A	69.1	Low	70.4	Confident	62 Å²	62	113.2 Å²	113.2	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-65.3	-39.7	172.4	0	0	0	0	0	111.7	I8 F9 I10	I8-A12 WeakPolarHBondContact O-CB 3.17Å; I8-A12 PolarHBondContact O-N 2.85Å; F9-A12 PolarHBondContact O-N 3.21Å; I10-A12 VanDerWaalsContact C-N 3.3Å; I10-A12 PolarHBondContact O-N 3.37Å
13	L	65.2	Low	71.7	Confident	125 Å²	125	107.5 Å²	107.5	65%	0.654	55%	0.552	S	S	*	*	H	α-helix	trans	-70.8	-34.1	178.5	-67.5	170.9	0	0	0	113.5	F9 I10	F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.15Å; F9-L13 PolarHBondContact O-N 3.46Å; I10-L13 PolarHBondContact O-N 3.43Å
14	L	63.5	Low	73.3	Confident	115 Å²	115	104.4 Å²	104.4	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-78	-18.7	-178.6	-70	173.1	0	0	0	113.9	I10 D16	I10-L14 HydrophobicContact CG2-CD1 3.91Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.42Å; I10-L14 PolarHBondContact O-N 3.42Å; L14-D16 PolarHBondContact O-N 2.94Å
15	K	59.1	Low	74.5	Confident	158 Å²	158	103 Å²	103	69%	0.687	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.4	178.4	-78.8	177.2	179.9	-168.4	0	113.6	F11 Q18	F11-K15 WeakPolarHBondContact O-CG 3.37Å; F11-K15 PolarHBondContact O-N 3.07Å; K15-Q18 PolarHBondContact O-NE2 2.65Å
16	D	56.4	Low	75.7	Confident	145 Å²	145	101.3 Å²	101.3	78%	0.775	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	6.5	-175.3	-103.7	-23.4	0	0	0	115.3	L14 Q18	L14-D16 PolarHBondContact O-N 2.94Å; D16-Q18 PolarHBondContact O-N 2.91Å
17	V	62.2	Low	76.5	Confident	112 Å²	112	99.1 Å²	99.1	68%	0.679	52%	0.523	S	S	*	.			trans	-90.8	76.6	168.9	-175.2	0	0	0	0	109.2	C19	V17-C19 PolarHBondContact O-N 3.14Å
18	Q	59.6	Low	77.1	Confident	104 Å²	104	103.9 Å²	103.9	49%	0.486	54%	0.543	S	S	.	.			trans	-77.3	86.6	172.4	-62.7	-66.1	-46.6	0	0	109.3	K15 D16 E20	K15-Q18 PolarHBondContact O-NE2 2.65Å; D16-Q18 PolarHBondContact O-N 2.91Å; Q18-E20 VanDerWaalsContact C-N 3.3Å
19	C	72.6	Confident	77.7	Confident	118 Å²	118	101.3 Å²	101.3	80%	0.797	54%	0.543	S	S	*	.			trans	-90.7	3.8	175.5	-153.1	0	0	0	0	112.9	V17	V17-C19 PolarHBondContact O-N 3.14Å
20	E	88.3	Confident	78.6	Confident	137 Å²	137	102.9 Å²	102.9	64%	0.64	56%	0.557	S	S	*	*	S	Bend	trans	-94.4	135	179	-173.5	168.4	-166.3	0	0	110.1	Q18 Q22	Q18-E20 VanDerWaalsContact C-N 3.3Å; E20-Q22 PolarHBondContact O-N 3.49Å
21	V	91	Very high	79.7	Confident	64 Å²	64	101.1 Å²	101.1	39%	0.388	55%	0.55	S	S	.	.			trans	-69.8	123	173.5	172	0	0	0	0	108.4	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.3Å; V21-F46 HydrophobicContact CG1-CD1 3.8Å; V21-F46 HydrophobicContact CG1-CE1 4.07Å; V21-F46 HydrophobicContact CG2-CB 4.38Å; V21-F46 HydrophobicContact CG2-CD1 4.38Å
22	Q	95	Very high	80.8	Confident	78 Å²	78	99.2 Å²	99.2	36%	0.364	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.5	145.6	176.4	-60.8	175.6	26.8	0	0	110.5	E20 G43 S44	E20-Q22 PolarHBondContact O-N 3.49Å; Q22-G43 WeakPolarHBondContact O-CA 3.25Å; Q22-S44 PolarHBondContact N-O 3.19Å; Q22-S44 PolarHBondContact O-N 2.94Å
23	L	96.6	Very high	81.9	Confident	49 Å²	49	101.8 Å²	101.8	26%	0.257	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	122.6	171.2	-67.1	177.8	0	0	0	106.3	E42 F46 M53 C115	L23-E42 CarbonylContact C-O 3.53Å; L23-E42 WeakPolarHBondContact CA-O 3.47Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 3.9Å; L23-M53 HydrophobicContact CD2-CE 3.87Å; L23-C115 WeakPolarHBondContact CD1-O 3.29Å
24	L	96.6	Very high	83.2	Confident	105 Å²	105	98 Å²	98	55%	0.55	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	101.5	-176.5	178.3	63	0	0	0	110.2	T26 C41 E42	L24-T26 HydrophobicContact CG-CG2 4.42Å; L24-C41 WeakPolarHBondContact O-CA 3.44Å; L24-E42 PolarHBondContact N-O 2.76Å; L24-E42 PolarHBondContact O-N 3.29Å
25	E	97.3	Very high	84.7	Confident	64 Å²	64	93.3 Å²	93.3	30%	0.299	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	138	174.5	-62.3	87.3	166.1	0	0	112.2	S40 C41 W55 F114 C115	E25-S40 CarbonylContact C-O 3.58Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.32Å; E25-C41 HydrophobicContact CG-CB 4.3Å; E25-W55 HydrophobicContact CG-CH2 4.48Å; E25-W55 HydrophobicContact CG-CZ3 4.24Å; E25-F114 WeakPolarHBondContact OE1-CA 3.48Å; E25-C115 PolarHBondContact OE1-N 2.59Å; E25-C115 PolarHBondContact OE1-SG 3.16Å
26	T	96	Very high	86.4	Confident	71 Å²	71	89.3 Å²	89.3	44%	0.436	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164.4	170.7	85.8	0	0	0	0	110.9	L24 L39 S40	L24-T26 HydrophobicContact CG-CG2 4.42Å; T26-L39 WeakPolarHBondContact O-CA 3.48Å; T26-S40 PolarHBondContact N-O 2.82Å; T26-S40 PolarHBondContact O-N 3.03Å; T26-S40 PolarHBondContact OG1-OG 2.98Å
27	G	91	Very high	88.2	Confident	21 Å²	21	86.2 Å²	86.2	22%	0.216	50%	0.502	C	S	.	.			trans	106.5	25.6	-177.1	0	0	0	0	0	114	R37 L39	G27-R37 PolarHBondContact O-NE 3.04Å; G27-R37 PolarHBondContact O-NH2 2.72Å; G27-L39 WeakPolarHBondContact O-CD2 3.45Å
28	E	84.1	Confident	89.8	Confident	185 Å²	185	82.4 Å²	82.4	86%	0.864	49%	0.486	S	S	*	.			trans	-63.2	136.1	170.4	-60.9	-173.1	163.5	0	0	112.7	R37	E28-R37 PolarHBondContact O-NH2 2.87Å
29	G	86.6	Confident	91.6	Very high	53 Å²	53	78.4 Å²	78.4	55%	0.546	47%	0.468	S	S	.	.			trans	164.7	158.8	174.6	0	0	0	0	0	113.3
30	L	87.5	Confident	92.8	Very high	182 Å²	182	74 Å²	74	95%	0.953	44%	0.438	S	S	*	.			trans	-77.1	138.1	173.5	-63.6	173.6	0	0	0	110.1
31	V	89.9	Confident	93.3	Very high	43 Å²	43	67.5 Å²	67.5	26%	0.261	41%	0.408	S	S	.	.			trans	-126.5	131.1	178.1	-175.1	0	0	0	0	107.2	R37 V105	V31-R37 HydrophobicContact CG2-CB 3.61Å; V31-R37 HydrophobicContact CG2-CG 3.85Å; V31-V105 HydrophobicContact CG1-CB 4.29Å; V31-V105 HydrophobicContact CG1-CG2 4.3Å
32	P	90.2	Very high	93.6	Very high	92 Å²	92	69.6 Å²	69.6	60%	0.597	41%	0.413	S	S	*	.			trans	-63.7	150.5	174.4	27.1	-34.1	0	0	0	110.7	G34 G35	P32-G34 PolarHBondContact O-N 2.66Å; P32-G35 WeakPolarHBondContact O-CA 3.37Å; P32-G35 PolarHBondContact O-N 2.82Å
33	P	90.7	Very high	93.7	Very high	116 Å²	116	66 Å²	66	75%	0.753	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	134.8	171.3	-25.7	34.6	0	0	0	111.6	G35 V105	P33-G35 PolarHBondContact O-N 2.76Å; P33-V105 CarbonylContact C-O 3.49Å; P33-V105 WeakPolarHBondContact CA-O 3.4Å
34	G	93.8	Very high	93.6	Very high	45 Å²	45	65.7 Å²	65.7	46%	0.464	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-6.9	-172.9	0	0	0	0	0	114.5	P32 V105	P32-G34 PolarHBondContact O-N 2.66Å; G34-V105 PolarHBondContact N-O 3.29Å
35	G	94.9	Very high	93.5	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	39%	0.393	C	S	.	.			trans	-70.4	-178.8	177.8	0	0	0	0	0	113.8	P32 P33 N104 V105	P32-G35 WeakPolarHBondContact O-CA 3.37Å; P32-G35 PolarHBondContact O-N 2.82Å; P33-G35 PolarHBondContact O-N 2.76Å; G35-N104 PolarHBondContact O-N 3.17Å; G35-N104 VanDerWaalsContact O-N 3.11Å; G35-V105 WeakPolarHBondContact O-CG2 3.48Å; G35-V105 PolarHBondContact O-N 2.92Å
36	S	94.8	Very high	93.3	Very high	75 Å²	75	61.1 Å²	61.1	52%	0.524	39%	0.386	S	S	.	.			trans	-130.8	150.6	178.1	-61.1	0	0	0	0	110.7	M102	S36-M102 CarbonylContact C-O 3.57Å; S36-M102 WeakPolarHBondContact CA-O 3.07Å; S36-M102 VanDerWaalsContact CB-O 3.32Å; S36-M102 WeakPolarHBondContact CB-O 3.29Å
37	R	93.5	Very high	93.3	Very high	79 Å²	79	62.4 Å²	62.4	30%	0.298	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	136.8	-177.2	179.6	64.8	172.8	-167.7	2.3	111.2	G27 E28 V31 L39 Q101 M102	G27-R37 PolarHBondContact O-NE 3.04Å; G27-R37 PolarHBondContact O-NH2 2.72Å; E28-R37 PolarHBondContact O-NH2 2.87Å; V31-R37 HydrophobicContact CG2-CB 3.61Å; V31-R37 HydrophobicContact CG2-CG 3.85Å; R37-L39 HydrophobicContact CG-CD2 4.32Å; R37-Q101 PolarHBondContact O-NE2 3.45Å; R37-M102 HydrophobicContact CB-CE 3.82Å; R37-M102 HydrophobicContact CG-CE 3.74Å; R37-M102 PolarHBondContact N-O 3.26Å; R37-M102 WeakPolarHBondContact O-CA 3.43Å; R37-M102 WeakPolarHBondContact O-CB 3.42Å; R37-M102 PolarHBondContact O-N 2.72Å
38	G	95.8	Very high	93.5	Very high	33 Å²	33	61.6 Å²	61.6	34%	0.34	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.3	168.6	0	0	0	0	0	110.8	L100	G38-L100 CarbonylContact C-O 3.52Å; G38-L100 WeakPolarHBondContact CA-O 3.41Å
39	L	97.7	Very high	94.1	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	153.7	161.7	-50.9	-178.8	0	0	0	109	T26 G27 R37 W55 Y99 L100 M102 Y113	T26-L39 WeakPolarHBondContact O-CA 3.48Å; G27-L39 WeakPolarHBondContact O-CD2 3.45Å; R37-L39 HydrophobicContact CG-CD2 4.32Å; L39-W55 HydrophobicContact CB-CH2 3.89Å; L39-W55 HydrophobicContact CB-CZ2 4.33Å; L39-W55 HydrophobicContact CB-CZ3 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.22Å; L39-L100 HydrophobicContact CB-CB 4.27Å; L39-L100 HydrophobicContact CD1-CD2 4.1Å; L39-L100 PolarHBondContact N-O 2.96Å; L39-L100 PolarHBondContact O-N 2.9Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD2-CE 3.93Å; L39-M102 HydrophobicContact CG-CE 3.61Å; L39-Y113 VanDerWaalsContact CD1-CB 3.46Å; L39-Y113 HydrophobicContact CD1-CD1 4.09Å; L39-Y113 HydrophobicContact CD1-CD2 4Å; L39-Y113 HydrophobicContact CD1-CG 3.59Å
40	S	98.3	Very high	94.6	Very high	25 Å²	25	55.5 Å²	55.5	18%	0.175	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.5	168.2	69.3	0	0	0	0	110.6	E25 T26 L98	E25-S40 CarbonylContact C-O 3.58Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.32Å; T26-S40 PolarHBondContact N-O 2.82Å; T26-S40 PolarHBondContact O-N 3.03Å; T26-S40 PolarHBondContact OG1-OG 2.98Å; S40-L98 CarbonylContact C-O 3.54Å; S40-L98 VanDerWaalsContact CA-O 3.29Å; S40-L98 WeakPolarHBondContact CA-O 3.29Å
41	C	98.3	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	112.4	171.8	159.7	0	0	0	0	108.7	L24 E25 W55 T97 L98 C115	L24-C41 WeakPolarHBondContact O-CA 3.44Å; E25-C41 HydrophobicContact CG-CB 4.3Å; C41-W55 HydrophobicContact CB-CH2 3.8Å; C41-W55 HydrophobicContact CB-CZ2 4Å; C41-T97 CarbonylContact O-C 3.57Å; C41-T97 VanDerWaalsContact O-CA 3.3Å; C41-T97 WeakPolarHBondContact O-CA 3.24Å; C41-L98 HydrophobicContact CB-CB 4.28Å; C41-L98 PolarHBondContact N-O 2.94Å; C41-L98 PolarHBondContact O-N 2.92Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 2.99Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 1.99Å; C41-C115 PolarHBondContact SG-SG 2.93Å
42	E	97.8	Very high	95.4	Very high	108 Å²	108	53.8 Å²	53.8	51%	0.505	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125	177.3	-170.3	178.9	132.9	0	0	109.9	L23 L24	L23-E42 CarbonylContact C-O 3.53Å; L23-E42 WeakPolarHBondContact CA-O 3.47Å; L24-E42 PolarHBondContact N-O 2.76Å; L24-E42 PolarHBondContact O-N 3.29Å
43	G	96.7	Very high	95.8	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.2	177.8	0	0	0	0	0	112.6	Q22 S96	Q22-G43 WeakPolarHBondContact O-CA 3.25Å; G43-S96 PolarHBondContact N-O 3.39Å; G43-S96 WeakPolarHBondContact O-CB 3.49Å
44	S	95.2	Very high	96.1	Very high	43 Å²	43	45 Å²	45	30%	0.301	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161.6	176.3	71.2	0	0	0	0	111.8	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.3Å; Q22-S44 PolarHBondContact N-O 3.19Å; Q22-S44 PolarHBondContact O-N 2.94Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 WeakPolarHBondContact O-CD1 3.26Å
45	G	93.7	Very high	96.3	Very high	39 Å²	39	42.9 Å²	42.9	40%	0.402	26%	0.261	S	S	.	.	S	Bend	trans	79.5	9	-176.1	0	0	0	0	0	115.1
46	F	93.5	Very high	96.5	Very high	34 Å²	34	42.5 Å²	42.5	15%	0.149	26%	0.256	C	S	.	.	S	Bend	trans	-153.3	164.1	174.9	65.5	-78.8	0	0	0	112.1	V21 L23 S44 F48 F51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.8Å; V21-F46 HydrophobicContact CG1-CE1 4.07Å; V21-F46 HydrophobicContact CG2-CB 4.38Å; V21-F46 HydrophobicContact CG2-CD1 4.38Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 3.9Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 WeakPolarHBondContact O-CD1 3.26Å; F46-F48 HydrophobicContact CE2-CB 4.1Å; F46-F48 AromaticContact CE2-CD2 3.86Å; F46-F48 HydrophobicContact CE2-CD2 3.86Å; F46-F48 HydrophobicContact CE2-CG 4.38Å; F46-F48 AromaticContact CZ-CD2 3.78Å; F46-F48 HydrophobicContact CZ-CD2 3.78Å; F46-F48 PolarHBondContact O-N 3.45Å; F46-F51 HydrophobicContact CB-CE2 4.49Å; F46-F51 AromaticContact CD2-CD2 3.69Å; F46-F51 HydrophobicContact CD2-CD2 3.69Å; F46-F51 HydrophobicContact CD2-CE2 4.04Å; F46-F51 HydrophobicContact CE2-CD2 4.22Å; F46-M53 HydrophobicContact CE2-SD 4.24Å; F46-M53 HydrophobicContact CZ-CE 4.45Å; F46-M53 HydrophobicContact CZ-SD 4.41Å; F46-R117 HydrophobicContact CD2-CG 4.39Å; F46-R117 HydrophobicContact CE2-CG 3.98Å; F46-R117 HydrophobicContact CZ-CG 4.43Å
47	T	94.9	Very high	96.5	Very high	98 Å²	98	39.7 Å²	39.7	60%	0.601	23%	0.233	S	C	*	.			trans	-73.3	91	172	-51.8	0	0	0	0	109.8	S49 G50 F51	T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 PolarHBondContact O-N 3.15Å; T47-G50 WeakPolarHBondContact O-CA 3.44Å; T47-G50 PolarHBondContact O-N 3.03Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.47Å
48	F	96.1	Very high	96.7	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-51.9	-43.7	-174.9	-176.8	-96	0	0	0	114	F46 G50 F51 M53 R91 N93 S96 L98	F46-F48 HydrophobicContact CE2-CB 4.1Å; F46-F48 AromaticContact CE2-CD2 3.86Å; F46-F48 HydrophobicContact CE2-CD2 3.86Å; F46-F48 HydrophobicContact CE2-CG 4.38Å; F46-F48 AromaticContact CZ-CD2 3.78Å; F46-F48 HydrophobicContact CZ-CD2 3.78Å; F46-F48 PolarHBondContact O-N 3.45Å; F48-G50 PolarHBondContact O-N 3.05Å; F48-G50 VanDerWaalsContact O-N 3.15Å; F48-F51 PolarHBondContact O-N 2.94Å; F48-M53 HydrophobicContact CD2-SD 4.27Å; F48-M53 HydrophobicContact CE2-CE 3.91Å; F48-M53 HydrophobicContact CE2-CG 3.85Å; F48-M53 HydrophobicContact CE2-SD 3.96Å; F48-M53 HydrophobicContact CZ-CG 3.9Å; F48-R91 HydrophobicContact CE1-CB 4.29Å; F48-R91 PolarHBondContact O-NH2 3.02Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.32Å; F48-S96 WeakPolarHBondContact CE2-O 3.48Å; F48-L98 HydrophobicContact CZ-CB 4.13Å
49	S	96.5	Very high	96.6	Very high	58 Å²	58	39.6 Å²	39.6	41%	0.406	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.9	-12.7	176.6	57.7	0	0	0	0	114.5	T47 S72	T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 PolarHBondContact O-N 3.15Å; S49-S72 WeakPolarHBondContact O-CB 2.96Å
50	G	95.9	Very high	96.4	Very high	51 Å²	51	43.5 Å²	43.5	53%	0.526	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-85.3	-5	179.3	0	0	0	0	0	114.8	T47 F48	T47-G50 WeakPolarHBondContact O-CA 3.44Å; T47-G50 PolarHBondContact O-N 3.03Å; F48-G50 PolarHBondContact O-N 3.05Å; F48-G50 VanDerWaalsContact O-N 3.15Å
51	F	96.6	Very high	96.2	Very high	75 Å²	75	46.6 Å²	46.6	33%	0.329	29%	0.292	S	S	.	.	S	Bend	trans	-127	150.6	-173.1	-63.3	-89.3	0	0	0	112.5	F46 T47 F48 M53 R91 R117	F46-F51 HydrophobicContact CB-CE2 4.49Å; F46-F51 AromaticContact CD2-CD2 3.69Å; F46-F51 HydrophobicContact CD2-CD2 3.69Å; F46-F51 HydrophobicContact CD2-CE2 4.04Å; F46-F51 HydrophobicContact CE2-CD2 4.22Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.47Å; F48-F51 PolarHBondContact O-N 2.94Å; F51-M53 HydrophobicContact CB-SD 4.37Å; F51-R91 PolarHBondContact O-NH1 3.26Å; F51-R117 HydrophobicContact CB-CG 3.55Å; F51-R117 HydrophobicContact CD1-CG 3.78Å; F51-R117 HydrophobicContact CD2-CG 4.18Å; F51-R117 VanDerWaalsContact CE2-NH1 3.33Å; F51-R117 HydrophobicContact CG-CG 3.55Å
52	W	98	Very high	95.9	Very high	115 Å²	115	53.4 Å²	53.4	44%	0.436	32%	0.321	S	S	.	.			trans	-67.4	147.4	158.1	-76.6	58	0	0	0	108.3	D69 I70 N71	W52-D69 HydrophobicContact CE3-CB 4.19Å; W52-D69 VanDerWaalsContact CZ3-OD1 3.28Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.45Å; W52-I70 VanDerWaalsContact CA-O 3.31Å; W52-I70 WeakPolarHBondContact CA-O 3.44Å; W52-N71 HydrophobicContact CD2-CB 3.87Å; W52-N71 VanDerWaalsContact CE2-CB 3.41Å; W52-N71 HydrophobicContact CE3-CB 4.32Å; W52-N71 HydrophobicContact CG-CB 4.43Å; W52-N71 HydrophobicContact CH2-CB 3.99Å; W52-N71 HydrophobicContact CZ2-CB 3.5Å; W52-N71 HydrophobicContact CZ3-CB 4.36Å
53	M	98.2	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.2	178.1	-61.8	-59.2	-55.9	0	0	108.6	L23 F46 F48 F51 D69 I70 L98 M116 R117	L23-M53 HydrophobicContact CD2-CE 3.87Å; F46-M53 HydrophobicContact CE2-SD 4.24Å; F46-M53 HydrophobicContact CZ-CE 4.45Å; F46-M53 HydrophobicContact CZ-SD 4.41Å; F48-M53 HydrophobicContact CD2-SD 4.27Å; F48-M53 HydrophobicContact CE2-CE 3.91Å; F48-M53 HydrophobicContact CE2-CG 3.85Å; F48-M53 HydrophobicContact CE2-SD 3.96Å; F48-M53 HydrophobicContact CZ-CG 3.9Å; F51-M53 HydrophobicContact CB-SD 4.37Å; M53-D69 CarbonylContact O-C 3.54Å; M53-D69 VanDerWaalsContact O-CA 3.23Å; M53-D69 WeakPolarHBondContact O-CA 3.25Å; M53-I70 HydrophobicContact CB-CG2 4.2Å; M53-I70 PolarHBondContact N-O 3.28Å; M53-I70 PolarHBondContact O-N 2.93Å; M53-L98 HydrophobicContact CB-CD1 3.95Å; M53-L98 HydrophobicContact CB-CD2 3.92Å; M53-L98 HydrophobicContact CB-CG 4.4Å; M53-M116 CarbonylContact C-O 3.58Å; M53-M116 WeakPolarHBondContact CA-O 3.32Å; M53-M116 WeakPolarHBondContact CE-O 3.12Å; M53-R117 HydrophobicContact CE-CB 4.04Å; M53-R117 HydrophobicContact SD-CB 3.9Å; M53-R117 HydrophobicContact SD-CG 3.97Å
54	S	98.3	Very high	95.6	Very high	23 Å²	23	58 Å²	58	16%	0.161	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.1	-177.4	-55.7	0	0	0	0	111	G68 D69 C115 M116	S54-G68 CarbonylContact C-O 3.47Å; S54-G68 VanDerWaalsContact CA-O 3.31Å; S54-G68 WeakPolarHBondContact CA-O 3.45Å; S54-D69 WeakPolarHBondContact OG-CB 3.3Å; S54-C115 CarbonylContact O-C 3.52Å; S54-C115 VanDerWaalsContact O-CA 3.23Å; S54-C115 WeakPolarHBondContact O-CA 3.23Å; S54-M116 PolarHBondContact N-O 2.8Å; S54-M116 PolarHBondContact O-N 2.75Å
55	W	98.2	Very high	95.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137	160.3	-76.7	100.6	0	0	0	109.4	E25 L39 C41 I67 G68 L98 Y99 L100 F114 C115	E25-W55 HydrophobicContact CG-CH2 4.48Å; E25-W55 HydrophobicContact CG-CZ3 4.24Å; L39-W55 HydrophobicContact CB-CH2 3.89Å; L39-W55 HydrophobicContact CB-CZ2 4.33Å; L39-W55 HydrophobicContact CB-CZ3 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.3Å; C41-W55 HydrophobicContact CB-CH2 3.8Å; C41-W55 HydrophobicContact CB-CZ2 4Å; W55-I67 HydrophobicContact CB-CD1 3.78Å; W55-I67 HydrophobicContact CB-CG1 3.56Å; W55-I67 WeakPolarHBondContact O-CG1 3.37Å; W55-I67 PolarHBondContact O-N 2.94Å; W55-G68 PolarHBondContact N-O 3.36Å; W55-L98 HydrophobicContact CD2-CD2 4.21Å; W55-L98 HydrophobicContact CG-CD2 4.16Å; W55-L98 HydrophobicContact CZ2-CD2 4.21Å; W55-L98 HydrophobicContact CZ2-CG 4.3Å; W55-L98 VanDerWaalsContact NE1-CG 3.35Å; W55-Y99 PolarHBondContact NE1-O 3.38Å; W55-L100 HydrophobicContact CD2-CB 4.08Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.37Å; W55-L100 HydrophobicContact CG-CD1 4.45Å; W55-L100 HydrophobicContact CG-CD2 4.42Å; W55-L100 HydrophobicContact CZ2-CB 3.94Å; W55-F114 WeakPolarHBondContact CA-O 3.37Å; W55-C115 HydrophobicContact CE3-CB 4.35Å; W55-C115 HydrophobicContact CH2-CB 4.45Å; W55-C115 HydrophobicContact CZ3-CB 4.29Å
56	V	97.5	Very high	95.8	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.3	167	-55.4	0	0	0	0	109.3	L64 E65 Y113 F114 M116	V56-L64 HydrophobicContact CG2-CD2 4.11Å; V56-E65 CarbonylContact C-O 3.49Å; V56-E65 VanDerWaalsContact CA-O 3.24Å; V56-E65 WeakPolarHBondContact CA-O 3.41Å; V56-E65 WeakPolarHBondContact CB-O 3.23Å; V56-Y113 WeakPolarHBondContact O-CA 3.4Å; V56-F114 HydrophobicContact CG2-CB 3.76Å; V56-F114 HydrophobicContact CG2-CD2 4.25Å; V56-F114 HydrophobicContact CG2-CG 4.49Å; V56-F114 PolarHBondContact N-O 3.36Å; V56-F114 PolarHBondContact O-N 3.01Å; V56-F114 VanDerWaalsContact O-O 3.14Å; V56-M116 HydrophobicContact CB-CE 4.38Å; V56-M116 HydrophobicContact CB-SD 4.36Å; V56-M116 HydrophobicContact CG1-CE 4.07Å; V56-M116 HydrophobicContact CG1-CG 4.35Å; V56-M116 HydrophobicContact CG1-SD 3.49Å; V56-M116 WeakPolarHBondContact CG1-SD 3.24Å; V56-M116 HydrophobicContact CG2-CE 3.47Å; V56-M116 VanDerWaalsContact CG2-CE 3.47Å; V56-M116 HydrophobicContact CG2-CG 4.28Å; V56-M116 HydrophobicContact CG2-SD 3.9Å
57	R	96.4	Very high	96	Very high	16 Å²	16	60.7 Å²	60.7	6%	0.06	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151	173.7	73.7	179.3	178.6	-178.7	0.5	111.6	L64 E65 I67 D109 A111 T112 Y113	R57-L64 WeakPolarHBondContact O-CA 3.47Å; R57-E65 HydrophobicContact CG-CB 4.2Å; R57-E65 IonicContact CZ-OE2 2.66Å; R57-E65 VanDerWaalsContact CZ-OE2 3.26Å; R57-E65 PolarHBondContact N-O 3.32Å; R57-E65 IonicContact NE-OE2 3.29Å; R57-E65 PolarHBondContact NE-OE2 3.49Å; R57-E65 IonicContact NH2-OE1 3.7Å; R57-E65 PolarHBondContact NH2-OE1 2.99Å; R57-E65 IonicContact NH2-OE2 3.68Å; R57-E65 PolarHBondContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact O-N 2.97Å; R57-I67 HydrophobicContact CB-CG2 4.34Å; R57-I67 HydrophobicContact CG-CG2 3.7Å; R57-D109 IonicContact NH1-OD1 3.38Å; R57-D109 PolarHBondContact NH1-OD1 3.15Å; R57-A111 HydrophobicContact CB-CB 3.87Å; R57-A111 HydrophobicContact CG-CB 4.24Å; R57-T112 CarbonylContact C-O 3.43Å; R57-T112 VanDerWaalsContact CA-O 3.25Å; R57-T112 WeakPolarHBondContact CA-O 3.23Å; R57-Y113 HydrophobicContact CB-CD1 3.87Å; R57-Y113 HydrophobicContact CB-CE1 3.84Å; R57-Y113 HydrophobicContact CB-CG 4.31Å
58	Q	96.2	Very high	96.2	Very high	82 Å²	82	56 Å²	56	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	106	172.3	-166.8	176.2	26	0	0	109.5	L64 A111 T112 F114	Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 4.33Å; Q58-A111 CarbonylContact O-C 3.59Å; Q58-A111 VanDerWaalsContact O-CA 3.26Å; Q58-A111 WeakPolarHBondContact O-CA 3.31Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.43Å; Q58-T112 PolarHBondContact N-O 2.87Å; Q58-T112 PolarHBondContact O-N 2.95Å; Q58-F114 HydrophobicContact CB-CE2 4.02Å
59	T	94.2	Very high	96.3	Very high	27 Å²	27	57 Å²	57	17%	0.166	32%	0.323	C	S	.	.			trans	-73.6	141.7	170.3	-50.6	0	0	0	0	109.3	G61 K62	T59-G61 PolarHBondContact O-N 3.39Å; T59-K62 HydrophobicContact CG2-CD 4.28Å; T59-K62 PolarHBondContact O-N 3.42Å
60	P	93.6	Very high	96.4	Very high	103 Å²	103	54.4 Å²	54.4	67%	0.669	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	124.8	176.2	-29.2	35.7	0	0	0	112.5	K62 T110	P60-K62 VanDerWaalsContact C-N 3.31Å; P60-K62 PolarHBondContact O-N 3.42Å; P60-T110 WeakPolarHBondContact CD-O 3.28Å
61	G	94.2	Very high	96.5	Very high	90 Å²	90	52.7 Å²	52.7	93%	0.928	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.4	-179.5	0	0	0	0	0	115.8	T59	T59-G61 PolarHBondContact O-N 3.39Å
62	K	92.4	Very high	96.5	Very high	142 Å²	142	51.3 Å²	51.3	62%	0.617	28%	0.283	S	S	*	.	S	Bend	trans	-117.3	168	176.3	-61.7	-168.1	179.5	178.6	0	112.4	T59 P60	T59-K62 HydrophobicContact CG2-CD 4.28Å; T59-K62 PolarHBondContact O-N 3.42Å; P60-K62 VanDerWaalsContact C-N 3.31Å; P60-K62 PolarHBondContact O-N 3.42Å
63	T	92.7	Very high	96.4	Very high	119 Å²	119	50.9 Å²	50.9	73%	0.73	29%	0.289	S	S	*	.			trans	-71.2	168.1	169.8	57.9	0	0	0	0	111.1
64	L	95.5	Very high	96.4	Very high	90 Å²	90	52 Å²	52	47%	0.471	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	138.8	169.9	-69.9	165.4	0	0	0	110.7	V56 R57 Q58 F114 M116	V56-L64 HydrophobicContact CG2-CD2 4.11Å; R57-L64 WeakPolarHBondContact O-CA 3.47Å; Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 4.33Å; L64-F114 HydrophobicContact CD2-CD2 4.03Å; L64-F114 HydrophobicContact CD2-CE2 4.15Å; L64-M116 HydrophobicContact CD1-CE 4.39Å
65	E	96.7	Very high	96.3	Very high	67 Å²	67	55.4 Å²	55.4	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.1	176.4	-177.9	-171.6	-180	0	0	108.5	V56 R57	V56-E65 CarbonylContact C-O 3.49Å; V56-E65 VanDerWaalsContact CA-O 3.24Å; V56-E65 WeakPolarHBondContact CA-O 3.41Å; V56-E65 WeakPolarHBondContact CB-O 3.23Å; R57-E65 HydrophobicContact CG-CB 4.2Å; R57-E65 IonicContact CZ-OE2 2.66Å; R57-E65 VanDerWaalsContact CZ-OE2 3.26Å; R57-E65 PolarHBondContact N-O 3.32Å; R57-E65 IonicContact NE-OE2 3.29Å; R57-E65 PolarHBondContact NE-OE2 3.49Å; R57-E65 IonicContact NH2-OE1 3.7Å; R57-E65 PolarHBondContact NH2-OE1 2.99Å; R57-E65 IonicContact NH2-OE2 3.68Å; R57-E65 PolarHBondContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact O-N 2.97Å
66	W	97.2	Very high	96.3	Very high	104 Å²	104	57.2 Å²	57.2	39%	0.394	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.9	168.4	172	92.7	0	0	0	109.9	G68 D69 N78 A80	W66-G68 VanDerWaalsContact CE2-CA 3.5Å; W66-G68 PolarHBondContact NE1-O 3.2Å; W66-D69 HydrophobicContact CZ2-CB 4.31Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.4Å; W66-D69 PolarHBondContact NE1-OD2 2.98Å; W66-N78 HydrophobicContact CH2-CB 3.89Å; W66-N78 HydrophobicContact CZ2-CB 3.97Å; W66-A80 HydrophobicContact CE3-CB 4.03Å; W66-A80 HydrophobicContact CZ3-CB 3.88Å
67	I	97.2	Very high	96.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-23	-179.7	67	173.1	0	0	0	113.3	W55 R57 A80 I83 L100 Y113	W55-I67 HydrophobicContact CB-CD1 3.78Å; W55-I67 HydrophobicContact CB-CG1 3.56Å; W55-I67 WeakPolarHBondContact O-CG1 3.37Å; W55-I67 PolarHBondContact O-N 2.94Å; R57-I67 HydrophobicContact CB-CG2 4.34Å; R57-I67 HydrophobicContact CG-CG2 3.7Å; I67-A80 WeakPolarHBondContact O-CB 3.43Å; I67-A80 PolarHBondContact O-N 2.82Å; I67-I83 HydrophobicContact CB-CD1 3.85Å; I67-I83 HydrophobicContact CB-CG1 4.33Å; I67-I83 HydrophobicContact CD1-CD1 4.27Å; I67-I83 HydrophobicContact CG1-CD1 4.15Å; I67-I83 WeakPolarHBondContact O-CD1 3.31Å; I67-I83 WeakPolarHBondContact O-CG1 3.35Å; I67-L100 HydrophobicContact CD1-CD1 4.45Å; I67-L100 HydrophobicContact CD1-CD2 3.88Å; I67-Y113 HydrophobicContact CD1-CD1 3.86Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å
68	G	98.1	Very high	96.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	164.8	176.9	0	0	0	0	0	112.8	S54 W55 W66 N78	S54-G68 CarbonylContact C-O 3.47Å; S54-G68 VanDerWaalsContact CA-O 3.31Å; S54-G68 WeakPolarHBondContact CA-O 3.45Å; W55-G68 PolarHBondContact N-O 3.36Å; W66-G68 VanDerWaalsContact CE2-CA 3.5Å; W66-G68 PolarHBondContact NE1-O 3.2Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.15Å
69	D	98.3	Very high	96.5	Very high	26 Å²	26	61.4 Å²	61.4	14%	0.139	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.4	176.6	59.4	37.6	0	0	0	112	W52 M53 S54 W66 I77 N78	W52-D69 HydrophobicContact CE3-CB 4.19Å; W52-D69 VanDerWaalsContact CZ3-OD1 3.28Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.45Å; M53-D69 CarbonylContact O-C 3.54Å; M53-D69 VanDerWaalsContact O-CA 3.23Å; M53-D69 WeakPolarHBondContact O-CA 3.25Å; S54-D69 WeakPolarHBondContact OG-CB 3.3Å; W66-D69 HydrophobicContact CZ2-CB 4.31Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.4Å; W66-D69 PolarHBondContact NE1-OD2 2.98Å; D69-I77 VanDerWaalsContact O-CA 3.31Å; D69-I77 WeakPolarHBondContact O-CA 3.49Å; D69-I77 VanDerWaalsContact O-CG2 3.28Å; D69-I77 WeakPolarHBondContact O-CG2 3.43Å; D69-N78 PolarHBondContact N-O 2.82Å; D69-N78 PolarHBondContact O-N 2.81Å; D69-N78 VanDerWaalsContact OD1-CB 3.28Å; D69-N78 WeakPolarHBondContact OD1-CB 3.41Å; D69-N78 PolarHBondContact OD1-ND2 2.8Å
70	I	98.6	Very high	96.6	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.6	179.1	-173.2	162.8	0	0	0	109.7	W52 M53 A76 I77 I89 R91 L98	W52-I70 VanDerWaalsContact CA-O 3.31Å; W52-I70 WeakPolarHBondContact CA-O 3.44Å; M53-I70 HydrophobicContact CB-CG2 4.2Å; M53-I70 PolarHBondContact N-O 3.28Å; M53-I70 PolarHBondContact O-N 2.93Å; I70-A76 WeakPolarHBondContact CA-O 3.33Å; I70-I77 HydrophobicContact CB-CG1 4.46Å; I70-I77 HydrophobicContact CD1-CD1 4.13Å; I70-I77 HydrophobicContact CD1-CG1 3.92Å; I70-I77 HydrophobicContact CG1-CG1 3.95Å; I70-I89 HydrophobicContact CB-CG2 4.05Å; I70-I89 HydrophobicContact CG2-CG2 3.9Å; I70-R91 HydrophobicContact CD1-CB 4.44Å; I70-R91 HydrophobicContact CD1-CG 3.96Å; I70-R91 HydrophobicContact CG1-CG 4.5Å; I70-L98 HydrophobicContact CG2-CD1 3.43Å; I70-L98 VanDerWaalsContact CG2-CD1 3.43Å
71	N	97.9	Very high	96.7	Very high	16 Å²	16	61.5 Å²	61.5	9%	0.086	36%	0.363	C	S	.	.			trans	-73.4	175	178.6	77.8	-31.3	0	0	0	112.4	W52 D73 G74 S75 A76 R91	W52-N71 HydrophobicContact CD2-CB 3.87Å; W52-N71 VanDerWaalsContact CE2-CB 3.41Å; W52-N71 HydrophobicContact CE3-CB 4.32Å; W52-N71 HydrophobicContact CG-CB 4.43Å; W52-N71 HydrophobicContact CH2-CB 3.99Å; W52-N71 HydrophobicContact CZ2-CB 3.5Å; W52-N71 HydrophobicContact CZ3-CB 4.36Å; N71-D73 VanDerWaalsContact CG-OD1 3.3Å; N71-D73 PolarHBondContact ND2-OD1 3.41Å; N71-D73 PolarHBondContact O-N 3.19Å; N71-D73 PolarHBondContact OD1-OD1 3.11Å; N71-G74 PolarHBondContact O-N 3.14Å; N71-G74 VanDerWaalsContact OD1-C 3.3Å; N71-G74 WeakPolarHBondContact OD1-CA 3Å; N71-G74 PolarHBondContact OD1-N 3.1Å; N71-S75 PolarHBondContact ND2-OG 2.81Å; N71-S75 VanDerWaalsContact ND2-OG 3.16Å; N71-S75 PolarHBondContact OD1-N 3.32Å; N71-A76 HydrophobicContact CB-CB 4.19Å; N71-A76 PolarHBondContact N-O 2.77Å; N71-A76 PolarHBondContact OD1-N 2.81Å; N71-A76 PolarHBondContact OD1-O 3.16Å; N71-R91 VanDerWaalsContact O-CD 3.29Å; N71-R91 WeakPolarHBondContact O-CD 3.35Å; N71-R91 PolarHBondContact O-NH1 2.75Å
72	S	97.8	Very high	96.7	Very high	45 Å²	45	59.4 Å²	59.4	32%	0.315	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-43.9	-174.4	39.4	0	0	0	0	115.3	S49 R91 N93	S49-S72 WeakPolarHBondContact O-CB 2.96Å; S72-R91 VanDerWaalsContact CA-NH1 3.3Å; S72-R91 PolarHBondContact O-NE 2.83Å; S72-R91 PolarHBondContact O-NH1 3Å; S72-N93 PolarHBondContact O-ND2 2.79Å
73	D	95.6	Very high	96.8	Very high	107 Å²	107	52.7 Å²	52.7	57%	0.572	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.5	-177.7	67.3	7.2	0	0	0	113.8	N71 S75	N71-D73 VanDerWaalsContact CG-OD1 3.3Å; N71-D73 PolarHBondContact ND2-OD1 3.41Å; N71-D73 PolarHBondContact O-N 3.19Å; N71-D73 PolarHBondContact OD1-OD1 3.11Å; D73-S75 VanDerWaalsContact C-N 3.34Å; D73-S75 VanDerWaalsContact OD1-CB 3.23Å; D73-S75 WeakPolarHBondContact OD1-CB 3.23Å; D73-S75 PolarHBondContact OD1-N 3.44Å; D73-S75 PolarHBondContact OD1-OG 3.08Å; D73-S75 PolarHBondContact OD2-OG 2.94Å
74	G	97.1	Very high	96.8	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	30%	0.297	C	S	.	.	S	Bend	trans	81.2	4.7	-179.2	0	0	0	0	0	115.7	N71	N71-G74 PolarHBondContact O-N 3.14Å; N71-G74 VanDerWaalsContact OD1-C 3.3Å; N71-G74 WeakPolarHBondContact OD1-CA 3Å; N71-G74 PolarHBondContact OD1-N 3.1Å
75	S	96.8	Very high	96.8	Very high	94 Å²	94	56.1 Å²	56.1	66%	0.657	31%	0.313	S	S	*	.	S	Bend	trans	-76.5	-23.9	-179.1	63.3	0	0	0	0	114.5	N71 D73	N71-S75 PolarHBondContact ND2-OG 2.81Å; N71-S75 VanDerWaalsContact ND2-OG 3.16Å; N71-S75 PolarHBondContact OD1-N 3.32Å; D73-S75 VanDerWaalsContact C-N 3.34Å; D73-S75 VanDerWaalsContact OD1-CB 3.23Å; D73-S75 WeakPolarHBondContact OD1-CB 3.23Å; D73-S75 PolarHBondContact OD1-N 3.44Å; D73-S75 PolarHBondContact OD1-OG 3.08Å; D73-S75 PolarHBondContact OD2-OG 2.94Å
76	A	98	Very high	96.8	Very high	38 Å²	38	53.7 Å²	53.7	31%	0.314	30%	0.301	S	S	.	.			trans	-121.4	128.9	179.9	0	0	0	0	0	110.5	I70 N71	I70-A76 WeakPolarHBondContact CA-O 3.33Å; N71-A76 HydrophobicContact CB-CB 4.19Å; N71-A76 PolarHBondContact N-O 2.77Å; N71-A76 PolarHBondContact OD1-N 2.81Å; N71-A76 PolarHBondContact OD1-O 3.16Å
77	I	98.2	Very high	96.8	Very high	62 Å²	62	48.9 Å²	48.9	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.2	-178.5	-47.5	170.8	0	0	0	108.9	D69 I70 Y79 I89	D69-I77 VanDerWaalsContact O-CA 3.31Å; D69-I77 WeakPolarHBondContact O-CA 3.49Å; D69-I77 VanDerWaalsContact O-CG2 3.28Å; D69-I77 WeakPolarHBondContact O-CG2 3.43Å; I70-I77 HydrophobicContact CB-CG1 4.46Å; I70-I77 HydrophobicContact CD1-CD1 4.13Å; I70-I77 HydrophobicContact CD1-CG1 3.92Å; I70-I77 HydrophobicContact CG1-CG1 3.95Å; I77-Y79 HydrophobicContact CB-CE2 3.93Å; I77-Y79 HydrophobicContact CG2-CD2 3.97Å; I77-Y79 HydrophobicContact CG2-CE1 4.22Å; I77-Y79 HydrophobicContact CG2-CE2 3.31Å; I77-Y79 VanDerWaalsContact CG2-CZ 3.46Å; I77-I89 HydrophobicContact CG2-CB 4.27Å
78	N	97.9	Very high	96.8	Very high	80 Å²	80	52.4 Å²	52.4	43%	0.428	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.3	168.8	-54.1	-66.3	0	0	0	110.5	W66 G68 D69	W66-N78 HydrophobicContact CH2-CB 3.89Å; W66-N78 HydrophobicContact CZ2-CB 3.97Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.15Å; D69-N78 PolarHBondContact N-O 2.82Å; D69-N78 PolarHBondContact O-N 2.81Å; D69-N78 VanDerWaalsContact OD1-CB 3.28Å; D69-N78 WeakPolarHBondContact OD1-CB 3.41Å; D69-N78 PolarHBondContact OD1-ND2 2.8Å
79	Y	98.1	Very high	96.8	Very high	54 Å²	54	52.4 Å²	52.4	21%	0.212	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.1	178.8	-67.7	-86.2	0	0	0	110.1	I77 I83 K84 F87 I89	I77-Y79 HydrophobicContact CB-CE2 3.93Å; I77-Y79 HydrophobicContact CG2-CD2 3.97Å; I77-Y79 HydrophobicContact CG2-CE1 4.22Å; I77-Y79 HydrophobicContact CG2-CE2 3.31Å; I77-Y79 VanDerWaalsContact CG2-CZ 3.46Å; Y79-I83 HydrophobicContact CD1-CD1 3.84Å; Y79-I83 HydrophobicContact CD1-CG1 4.25Å; Y79-K84 HydrophobicContact CG-CG 4.48Å; Y79-F87 WeakPolarHBondContact CE1-O 3.34Å; Y79-I89 HydrophobicContact CD1-CD1 4.36Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 4.09Å; Y79-I89 HydrophobicContact CE1-CG1 3.96Å; Y79-I89 PolarHBondContact OH-N 3.38Å
80	A	97.4	Very high	96.8	Very high	6 Å²	6	55.4 Å²	55.4	5%	0.05	32%	0.316	C	S	.	.			trans	-62.9	142.1	162.7	0	0	0	0	0	109.4	W66 I67 S82 I83 K84	W66-A80 HydrophobicContact CE3-CB 4.03Å; W66-A80 HydrophobicContact CZ3-CB 3.88Å; I67-A80 WeakPolarHBondContact O-CB 3.43Å; I67-A80 PolarHBondContact O-N 2.82Å; A80-S82 PolarHBondContact O-N 2.86Å; A80-I83 HydrophobicContact CB-CG1 4.44Å; A80-I83 PolarHBondContact O-N 1.99Å; A80-I83 VanDerWaalsContact O-N 3.1Å; A80-K84 PolarHBondContact O-N 2.89Å
81	P	96.1	Very high	96.7	Very high	125 Å²	125	56.7 Å²	56.7	81%	0.812	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.1	-179.8	-28	35.3	0	0	0	114.3	I83	P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.21Å
82	S	93.1	Very high	96.7	Very high	46 Å²	46	57.8 Å²	57.8	32%	0.322	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.5	-179	53.2	0	0	0	0	114.3	A80 R86	A80-S82 PolarHBondContact O-N 2.86Å; S82-R86 PolarHBondContact O-NH2 2.84Å; S82-R86 VanDerWaalsContact O-NH2 3.14Å
83	I	94.5	Very high	96.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-12.8	-173.4	68.4	148.5	0	0	0	115.2	I67 Y79 A80 P81 D85 R86 F87	I67-I83 HydrophobicContact CB-CD1 3.85Å; I67-I83 HydrophobicContact CB-CG1 4.33Å; I67-I83 HydrophobicContact CD1-CD1 4.27Å; I67-I83 HydrophobicContact CG1-CD1 4.15Å; I67-I83 WeakPolarHBondContact O-CD1 3.31Å; I67-I83 WeakPolarHBondContact O-CG1 3.35Å; Y79-I83 HydrophobicContact CD1-CD1 3.84Å; Y79-I83 HydrophobicContact CD1-CG1 4.25Å; A80-I83 HydrophobicContact CB-CG1 4.44Å; A80-I83 PolarHBondContact O-N 1.99Å; A80-I83 VanDerWaalsContact O-N 3.1Å; P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.21Å; I83-D85 PolarHBondContact O-N 2.84Å; I83-R86 PolarHBondContact O-N 2.86Å; I83-F87 HydrophobicContact CB-CB 4.08Å; I83-F87 HydrophobicContact CB-CD2 3.68Å; I83-F87 HydrophobicContact CB-CE2 4.3Å; I83-F87 HydrophobicContact CB-CG 3.95Å; I83-F87 HydrophobicContact CD1-CB 3.89Å; I83-F87 HydrophobicContact CD1-CD2 3.9Å; I83-F87 HydrophobicContact CD1-CG 4.33Å; I83-F87 HydrophobicContact CG1-CD2 4.44Å; I83-F87 HydrophobicContact CG2-CD2 3.59Å; I83-F87 HydrophobicContact CG2-CE2 3.73Å; I83-F87 HydrophobicContact CG2-CG 4.3Å; I83-F87 PolarHBondContact O-N 2.85Å
84	K	93.7	Very high	96.8	Very high	131 Å²	131	60.7 Å²	60.7	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-33.7	-166	-175.4	173.6	178.5	178.4	0	115.7	Y79 A80	Y79-K84 HydrophobicContact CG-CG 4.48Å; A80-K84 PolarHBondContact O-N 2.89Å
85	D	95.1	Very high	96.8	Very high	151 Å²	151	65.4 Å²	65.4	81%	0.807	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-0	-175.6	-55.8	-40.2	0	0	0	113.8	I83	I83-D85 PolarHBondContact O-N 2.84Å
86	R	96.5	Very high	96.8	Very high	16 Å²	16	62.6 Å²	62.6	6%	0.06	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-34.9	-170.9	-64.9	-172.1	-55.9	108.4	0.2	112.4	S82 I83 S103 N104 D109	S82-R86 PolarHBondContact O-NH2 2.84Å; S82-R86 VanDerWaalsContact O-NH2 3.14Å; I83-R86 PolarHBondContact O-N 2.86Å; R86-S103 WeakPolarHBondContact CB-O 3.28Å; R86-S103 WeakPolarHBondContact O-CB 3.33Å; R86-S103 PolarHBondContact O-N 3.06Å; R86-S103 PolarHBondContact O-OG 3.32Å; R86-N104 PolarHBondContact NH1-O 3.16Å; R86-N104 VanDerWaalsContact NH1-O 3.14Å; R86-D109 IonicContact CZ-OD1 2.75Å; R86-D109 IonicContact CZ-OD2 2.82Å; R86-D109 IonicContact NH1-OD1 3.26Å; R86-D109 IonicContact NH1-OD2 3.17Å; R86-D109 PolarHBondContact NH1-OD2 3.22Å; R86-D109 IonicContact NH2-OD1 2.8Å; R86-D109 PolarHBondContact NH2-OD1 2.86Å; R86-D109 IonicContact NH2-OD2 2.92Å; R86-D109 PolarHBondContact NH2-OD2 3.33Å
87	F	96.7	Very high	96.8	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.9	-175	-63.8	2	0	0	0	110	Y79 I83 L100 Q101 M102 D109 Y113	Y79-F87 WeakPolarHBondContact CE1-O 3.34Å; I83-F87 HydrophobicContact CB-CB 4.08Å; I83-F87 HydrophobicContact CB-CD2 3.68Å; I83-F87 HydrophobicContact CB-CE2 4.3Å; I83-F87 HydrophobicContact CB-CG 3.95Å; I83-F87 HydrophobicContact CD1-CB 3.89Å; I83-F87 HydrophobicContact CD1-CD2 3.9Å; I83-F87 HydrophobicContact CD1-CG 4.33Å; I83-F87 HydrophobicContact CG1-CD2 4.44Å; I83-F87 HydrophobicContact CG2-CD2 3.59Å; I83-F87 HydrophobicContact CG2-CE2 3.73Å; I83-F87 HydrophobicContact CG2-CG 4.3Å; I83-F87 PolarHBondContact O-N 2.85Å; F87-L100 HydrophobicContact CB-CD1 4.14Å; F87-L100 HydrophobicContact CD2-CD1 4.33Å; F87-L100 HydrophobicContact CD2-CD2 4.44Å; F87-Q101 CarbonylContact C-O 3.51Å; F87-Q101 VanDerWaalsContact CA-O 3.25Å; F87-Q101 WeakPolarHBondContact CA-O 3.29Å; F87-M102 HydrophobicContact CD1-CB 3.66Å; F87-M102 HydrophobicContact CD1-CG 3.74Å; F87-M102 HydrophobicContact CD2-CG 3.85Å; F87-M102 HydrophobicContact CD2-SD 4.44Å; F87-M102 HydrophobicContact CE1-CB 3.54Å; F87-M102 HydrophobicContact CE1-CG 3.7Å; F87-M102 HydrophobicContact CE1-SD 4.35Å; F87-M102 HydrophobicContact CE2-CG 3.79Å; F87-M102 HydrophobicContact CE2-SD 3.87Å; F87-M102 HydrophobicContact CG-CB 4.26Å; F87-M102 HydrophobicContact CG-CG 3.85Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.72Å; F87-M102 HydrophobicContact CZ-SD 3.83Å; F87-D109 HydrophobicContact CZ-CB 4.06Å; F87-Y113 HydrophobicContact CE2-CE1 4.37Å
88	T	97.5	Very high	96.9	Very high	74 Å²	74	58.2 Å²	58.2	45%	0.454	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.3	178.7	-54.6	0	0	0	0	108.9	F90 Q101	T88-F90 HydrophobicContact CG2-CD1 4.47Å; T88-Q101 PolarHBondContact N-O 3.24Å; T88-Q101 PolarHBondContact O-N 3Å
89	I	98.1	Very high	96.9	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.3	174.1	-61.1	170.1	0	0	0	107.7	I70 I77 Y79 L98 Y99 L100	I70-I89 HydrophobicContact CB-CG2 4.05Å; I70-I89 HydrophobicContact CG2-CG2 3.9Å; I77-I89 HydrophobicContact CG2-CB 4.27Å; Y79-I89 HydrophobicContact CD1-CD1 4.36Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 4.09Å; Y79-I89 HydrophobicContact CE1-CG1 3.96Å; Y79-I89 PolarHBondContact OH-N 3.38Å; I89-L98 HydrophobicContact CG2-CD1 3.85Å; I89-Y99 WeakPolarHBondContact CA-O 3.47Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.61Å
90	F	97.5	Very high	96.9	Very high	88 Å²	88	54.4 Å²	54.4	39%	0.386	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.8	172.9	61.6	-82.9	0	0	0	110	T88 Y99 Q101	T88-F90 HydrophobicContact CG2-CD1 4.47Å; F90-Y99 AromaticContact CD2-CD2 3.68Å; F90-Y99 HydrophobicContact CD2-CD2 3.68Å; F90-Y99 HydrophobicContact CD2-CG 4.01Å; F90-Y99 HydrophobicContact CE1-CG 4.36Å; F90-Y99 VanDerWaalsContact CE2-CB 3.41Å; F90-Y99 HydrophobicContact CE2-CD1 4.22Å; F90-Y99 AromaticContact CE2-CD2 3.36Å; F90-Y99 HydrophobicContact CE2-CD2 3.36Å; F90-Y99 HydrophobicContact CE2-CE2 4.15Å; F90-Y99 AromaticContact CE2-CG 3.39Å; F90-Y99 HydrophobicContact CE2-CG 3.39Å; F90-Y99 HydrophobicContact CZ-CD1 4.22Å; F90-Y99 HydrophobicContact CZ-CD2 4.08Å; F90-Y99 AromaticContact CZ-CG 3.61Å; F90-Y99 HydrophobicContact CZ-CG 3.61Å; F90-Y99 PolarHBondContact N-O 3.06Å; F90-Y99 PolarHBondContact O-N 3.25Å; F90-Q101 HydrophobicContact CE1-CB 4Å
91	R	98	Very high	96.9	Very high	29 Å²	29	57.8 Å²	57.8	11%	0.109	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.6	-175.9	65.4	-174.3	-66.4	158.2	3.2	111.5	F48 F51 I70 N71 S72 N93 T97 L98	F48-R91 HydrophobicContact CE1-CB 4.29Å; F48-R91 PolarHBondContact O-NH2 3.02Å; F51-R91 PolarHBondContact O-NH1 3.26Å; I70-R91 HydrophobicContact CD1-CB 4.44Å; I70-R91 HydrophobicContact CD1-CG 3.96Å; I70-R91 HydrophobicContact CG1-CG 4.5Å; N71-R91 VanDerWaalsContact O-CD 3.29Å; N71-R91 WeakPolarHBondContact O-CD 3.35Å; N71-R91 PolarHBondContact O-NH1 2.75Å; S72-R91 VanDerWaalsContact CA-NH1 3.3Å; S72-R91 PolarHBondContact O-NE 2.83Å; S72-R91 PolarHBondContact O-NH1 3Å; R91-N93 PolarHBondContact NE-OD1 3.29Å; R91-N93 PolarHBondContact NH2-OD1 3.05Å; R91-T97 WeakPolarHBondContact CA-O 3.49Å; R91-L98 HydrophobicContact CB-CD1 4.26Å
92	D	97.9	Very high	96.9	Very high	39 Å²	39	52.3 Å²	52.3	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104	171.3	-175	-26.2	0	0	0	107.4	D94 K95 S96 T97 Y99	D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact OD1-N 2.97Å; D92-D94 VanDerWaalsContact OD1-N 3.11Å; D92-K95 HydrophobicContact CB-CB 4.29Å; D92-K95 PolarHBondContact O-N 2.79Å; D92-K95 PolarHBondContact OD1-N 2.85Å; D92-K95 VanDerWaalsContact OD1-N 3.16Å; D92-K95 VanDerWaalsContact OD2-CD 3.24Å; D92-K95 WeakPolarHBondContact OD2-CD 3.37Å; D92-K95 VanDerWaalsContact OD2-CE 3.23Å; D92-K95 WeakPolarHBondContact OD2-CE 3.39Å; D92-K95 WeakPolarHBondContact OD2-CG 3.15Å; D92-K95 IonicContact OD2-NZ 3.38Å; D92-K95 PolarHBondContact OD2-NZ 3.38Å; D92-S96 PolarHBondContact O-N 3.08Å; D92-S96 VanDerWaalsContact O-N 3.08Å; D92-T97 PolarHBondContact N-O 3.04Å; D92-T97 PolarHBondContact O-N 3.03Å; D92-Y99 HydrophobicContact CB-CE2 3.8Å
93	N	97.6	Very high	97	Very high	54 Å²	54	52.4 Å²	52.4	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.7	-176.4	-79.6	-19.7	0	0	0	112.8	F48 S72 R91 K95 S96	F48-N93 WeakPolarHBondContact CD1-OD1 3.32Å; S72-N93 PolarHBondContact O-ND2 2.79Å; R91-N93 PolarHBondContact NE-OD1 3.29Å; R91-N93 PolarHBondContact NH2-OD1 3.05Å; N93-K95 VanDerWaalsContact C-N 3.29Å; N93-S96 PolarHBondContact O-N 2.87Å
94	D	96.8	Very high	97.1	Very high	160 Å²	160	56.3 Å²	56.3	86%	0.856	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.9	178.1	-65.3	-23	0	0	0	110.9	D92	D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact OD1-N 2.97Å; D92-D94 VanDerWaalsContact OD1-N 3.11Å
95	K	97.3	Very high	97.1	Very high	122 Å²	122	50.9 Å²	50.9	53%	0.53	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.8	175.1	-59.6	-176.5	-166.2	128.7	0	113.9	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.29Å; D92-K95 PolarHBondContact O-N 2.79Å; D92-K95 PolarHBondContact OD1-N 2.85Å; D92-K95 VanDerWaalsContact OD1-N 3.16Å; D92-K95 VanDerWaalsContact OD2-CD 3.24Å; D92-K95 WeakPolarHBondContact OD2-CD 3.37Å; D92-K95 VanDerWaalsContact OD2-CE 3.23Å; D92-K95 WeakPolarHBondContact OD2-CE 3.39Å; D92-K95 WeakPolarHBondContact OD2-CG 3.15Å; D92-K95 IonicContact OD2-NZ 3.38Å; D92-K95 PolarHBondContact OD2-NZ 3.38Å; N93-K95 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 2.82Å; K95-T97 VanDerWaalsContact O-N 3.08Å; K95-T97 PolarHBondContact O-OG1 2.83Å
96	S	97.4	Very high	97.1	Very high	36 Å²	36	49 Å²	49	25%	0.252	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	39.1	-171.4	-59.4	0	0	0	0	113.3	G43 F48 D92 N93	G43-S96 PolarHBondContact N-O 3.39Å; G43-S96 WeakPolarHBondContact O-CB 3.49Å; F48-S96 WeakPolarHBondContact CE2-O 3.48Å; D92-S96 PolarHBondContact O-N 3.08Å; D92-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-N 2.87Å
97	T	98.3	Very high	96.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	-170.9	-54.1	0	0	0	0	111.8	C41 R91 D92 K95 Y99	C41-T97 CarbonylContact O-C 3.57Å; C41-T97 VanDerWaalsContact O-CA 3.3Å; C41-T97 WeakPolarHBondContact O-CA 3.24Å; R91-T97 WeakPolarHBondContact CA-O 3.49Å; D92-T97 PolarHBondContact N-O 3.04Å; D92-T97 PolarHBondContact O-N 3.03Å; K95-T97 PolarHBondContact O-N 2.82Å; K95-T97 VanDerWaalsContact O-N 3.08Å; K95-T97 PolarHBondContact O-OG1 2.83Å; T97-Y99 HydrophobicContact CG2-CD1 4.25Å; T97-Y99 HydrophobicContact CG2-CD2 4.13Å; T97-Y99 HydrophobicContact CG2-CE1 3.71Å; T97-Y99 HydrophobicContact CG2-CE2 3.56Å; T97-Y99 HydrophobicContact CG2-CG 4.45Å
98	L	98.6	Very high	96.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.8	168	-175.3	70.9	0	0	0	109.6	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.54Å; S40-L98 VanDerWaalsContact CA-O 3.29Å; S40-L98 WeakPolarHBondContact CA-O 3.29Å; C41-L98 HydrophobicContact CB-CB 4.28Å; C41-L98 PolarHBondContact N-O 2.94Å; C41-L98 PolarHBondContact O-N 2.92Å; F48-L98 HydrophobicContact CZ-CB 4.13Å; M53-L98 HydrophobicContact CB-CD1 3.95Å; M53-L98 HydrophobicContact CB-CD2 3.92Å; M53-L98 HydrophobicContact CB-CG 4.4Å; W55-L98 HydrophobicContact CD2-CD2 4.21Å; W55-L98 HydrophobicContact CG-CD2 4.16Å; W55-L98 HydrophobicContact CZ2-CD2 4.21Å; W55-L98 HydrophobicContact CZ2-CG 4.3Å; W55-L98 VanDerWaalsContact NE1-CG 3.35Å; I70-L98 HydrophobicContact CG2-CD1 3.43Å; I70-L98 VanDerWaalsContact CG2-CD1 3.43Å; I89-L98 HydrophobicContact CG2-CD1 3.85Å; R91-L98 HydrophobicContact CB-CD1 4.26Å; L98-C115 HydrophobicContact CD2-CB 4.05Å
99	Y	98.3	Very high	96.6	Very high	54 Å²	54	54.6 Å²	54.6	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.6	178.6	-61.3	-87.6	0	0	0	111.4	L39 W55 I89 F90 D92 T97	L39-Y99 WeakPolarHBondContact O-CA 3.22Å; W55-Y99 PolarHBondContact NE1-O 3.38Å; I89-Y99 WeakPolarHBondContact CA-O 3.47Å; F90-Y99 AromaticContact CD2-CD2 3.68Å; F90-Y99 HydrophobicContact CD2-CD2 3.68Å; F90-Y99 HydrophobicContact CD2-CG 4.01Å; F90-Y99 HydrophobicContact CE1-CG 4.36Å; F90-Y99 VanDerWaalsContact CE2-CB 3.41Å; F90-Y99 HydrophobicContact CE2-CD1 4.22Å; F90-Y99 AromaticContact CE2-CD2 3.36Å; F90-Y99 HydrophobicContact CE2-CD2 3.36Å; F90-Y99 HydrophobicContact CE2-CE2 4.15Å; F90-Y99 AromaticContact CE2-CG 3.39Å; F90-Y99 HydrophobicContact CE2-CG 3.39Å; F90-Y99 HydrophobicContact CZ-CD1 4.22Å; F90-Y99 HydrophobicContact CZ-CD2 4.08Å; F90-Y99 AromaticContact CZ-CG 3.61Å; F90-Y99 HydrophobicContact CZ-CG 3.61Å; F90-Y99 PolarHBondContact N-O 3.06Å; F90-Y99 PolarHBondContact O-N 3.25Å; D92-Y99 HydrophobicContact CB-CE2 3.8Å; T97-Y99 HydrophobicContact CG2-CD1 4.25Å; T97-Y99 HydrophobicContact CG2-CD2 4.13Å; T97-Y99 HydrophobicContact CG2-CE1 3.71Å; T97-Y99 HydrophobicContact CG2-CE2 3.56Å; T97-Y99 HydrophobicContact CG2-CG 4.45Å
100	L	98.2	Very high	96.3	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	106.8	168.1	-176.3	69.7	0	0	0	108.6	G38 L39 W55 I67 F87 I89 M102 Y113	G38-L100 CarbonylContact C-O 3.52Å; G38-L100 WeakPolarHBondContact CA-O 3.41Å; L39-L100 HydrophobicContact CB-CB 4.27Å; L39-L100 HydrophobicContact CD1-CD2 4.1Å; L39-L100 PolarHBondContact N-O 2.96Å; L39-L100 PolarHBondContact O-N 2.9Å; W55-L100 HydrophobicContact CD2-CB 4.08Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.37Å; W55-L100 HydrophobicContact CG-CD1 4.45Å; W55-L100 HydrophobicContact CG-CD2 4.42Å; W55-L100 HydrophobicContact CZ2-CB 3.94Å; I67-L100 HydrophobicContact CD1-CD1 4.45Å; I67-L100 HydrophobicContact CD1-CD2 3.88Å; F87-L100 HydrophobicContact CB-CD1 4.14Å; F87-L100 HydrophobicContact CD2-CD1 4.33Å; F87-L100 HydrophobicContact CD2-CD2 4.44Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.61Å; L100-M102 HydrophobicContact CD2-CG 4.02Å; L100-M102 HydrophobicContact CD2-SD 4.02Å; L100-M102 HydrophobicContact CG-CG 3.96Å; L100-Y113 HydrophobicContact CD2-CD1 3.73Å; L100-Y113 HydrophobicContact CD2-CE1 3.92Å
101	Q	97.3	Very high	96.2	Very high	77 Å²	77	55.9 Å²	55.9	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.8	171.8	-177.8	61.6	52.5	0	0	109.4	R37 F87 T88 F90	R37-Q101 PolarHBondContact O-NE2 3.45Å; F87-Q101 CarbonylContact C-O 3.51Å; F87-Q101 VanDerWaalsContact CA-O 3.25Å; F87-Q101 WeakPolarHBondContact CA-O 3.29Å; T88-Q101 PolarHBondContact N-O 3.24Å; T88-Q101 PolarHBondContact O-N 3Å; F90-Q101 HydrophobicContact CE1-CB 4Å
102	M	96.3	Very high	96.1	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.049	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.2	177.4	-59.1	177.7	-74.6	0	0	109.8	S36 R37 L39 F87 L100 V105 Y113	S36-M102 CarbonylContact C-O 3.57Å; S36-M102 WeakPolarHBondContact CA-O 3.07Å; S36-M102 VanDerWaalsContact CB-O 3.32Å; S36-M102 WeakPolarHBondContact CB-O 3.29Å; R37-M102 HydrophobicContact CB-CE 3.82Å; R37-M102 HydrophobicContact CG-CE 3.74Å; R37-M102 PolarHBondContact N-O 3.26Å; R37-M102 WeakPolarHBondContact O-CA 3.43Å; R37-M102 WeakPolarHBondContact O-CB 3.42Å; R37-M102 PolarHBondContact O-N 2.72Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD2-CE 3.93Å; L39-M102 HydrophobicContact CG-CE 3.61Å; F87-M102 HydrophobicContact CD1-CB 3.66Å; F87-M102 HydrophobicContact CD1-CG 3.74Å; F87-M102 HydrophobicContact CD2-CG 3.85Å; F87-M102 HydrophobicContact CD2-SD 4.44Å; F87-M102 HydrophobicContact CE1-CB 3.54Å; F87-M102 HydrophobicContact CE1-CG 3.7Å; F87-M102 HydrophobicContact CE1-SD 4.35Å; F87-M102 HydrophobicContact CE2-CG 3.79Å; F87-M102 HydrophobicContact CE2-SD 3.87Å; F87-M102 HydrophobicContact CG-CB 4.26Å; F87-M102 HydrophobicContact CG-CG 3.85Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.72Å; F87-M102 HydrophobicContact CZ-SD 3.83Å; L100-M102 HydrophobicContact CD2-CG 4.02Å; L100-M102 HydrophobicContact CD2-SD 4.02Å; L100-M102 HydrophobicContact CG-CG 3.96Å; M102-V105 HydrophobicContact CB-CG2 3.84Å; M102-Y113 HydrophobicContact SD-CE1 4.21Å; M102-Y113 HydrophobicContact SD-CE2 4.46Å
103	S	95.7	Very high	96.1	Very high	48 Å²	48	57.7 Å²	57.7	34%	0.336	31%	0.308	S	S	.	.			trans	-127.4	155.9	170.7	73.5	0	0	0	0	110.2	R86 V105	R86-S103 WeakPolarHBondContact CB-O 3.28Å; R86-S103 WeakPolarHBondContact O-CB 3.33Å; R86-S103 PolarHBondContact O-N 3.06Å; R86-S103 PolarHBondContact O-OG 3.32Å; S103-V105 VanDerWaalsContact C-N 3.28Å; S103-V105 PolarHBondContact O-N 3.22Å
104	N	95.7	Very high	96	Very high	82 Å²	82	58.3 Å²	58.3	44%	0.439	31%	0.308	S	S	.	.	S	Bend	trans	49.4	51.1	-178.1	-168.3	22.6	0	0	0	112	G35 R86 R106	G35-N104 PolarHBondContact O-N 3.17Å; G35-N104 VanDerWaalsContact O-N 3.11Å; R86-N104 PolarHBondContact NH1-O 3.16Å; R86-N104 VanDerWaalsContact NH1-O 3.14Å; N104-R106 PolarHBondContact O-N 3.21Å
105	V	95.3	Very high	96.1	Very high	18 Å²	18	51 Å²	51	11%	0.109	27%	0.269	C	S	.	.			trans	-63.4	131.9	-177.6	175.3	0	0	0	0	109.9	V31 P33 G34 G35 M102 S103 D109	V31-V105 HydrophobicContact CG1-CB 4.29Å; V31-V105 HydrophobicContact CG1-CG2 4.3Å; P33-V105 CarbonylContact C-O 3.49Å; P33-V105 WeakPolarHBondContact CA-O 3.4Å; G34-V105 PolarHBondContact N-O 3.29Å; G35-V105 WeakPolarHBondContact O-CG2 3.48Å; G35-V105 PolarHBondContact O-N 2.92Å; M102-V105 HydrophobicContact CB-CG2 3.84Å; S103-V105 VanDerWaalsContact C-N 3.28Å; S103-V105 PolarHBondContact O-N 3.22Å; V105-D109 HydrophobicContact CG1-CB 4.19Å
106	R	94.4	Very high	96	Very high	112 Å²	112	49 Å²	49	42%	0.423	26%	0.262	S	S	.	.			trans	-111.7	165.4	-178.7	-64.6	169.2	-176.4	177.8	0.2	110.4	N104 E108 D109	N104-R106 PolarHBondContact O-N 3.21Å; R106-E108 HydrophobicContact CB-CG 3.75Å; R106-E108 WeakPolarHBondContact CD-OE1 3.06Å; R106-E108 IonicContact CZ-OE1 3.82Å; R106-E108 IonicContact NE-OE1 3.9Å; R106-E108 IonicContact NH1-OE1 2.82Å; R106-E108 PolarHBondContact NH1-OE1 2.8Å; R106-E108 PolarHBondContact O-N 3.01Å; R106-D109 PolarHBondContact N-OD2 2.77Å; R106-D109 WeakPolarHBondContact O-CB 3.31Å; R106-D109 PolarHBondContact O-N 2.96Å
107	S	92.7	Very high	95.7	Very high	101 Å²	101	53.6 Å²	53.6	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-57.9	-32.9	175.6	54	0	0	0	0	112.8	D109 T110	S107-D109 PolarHBondContact O-N 2.99Å; S107-T110 WeakPolarHBondContact O-CB 3.46Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.87Å
108	E	92.4	Very high	95.6	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.481	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-64.9	-18	176.1	65.8	-167.7	-170.4	0	0	114.2	R106 T110	R106-E108 HydrophobicContact CB-CG 3.75Å; R106-E108 WeakPolarHBondContact CD-OE1 3.06Å; R106-E108 IonicContact CZ-OE1 3.82Å; R106-E108 IonicContact NE-OE1 3.9Å; R106-E108 IonicContact NH1-OE1 2.82Å; R106-E108 PolarHBondContact NH1-OE1 2.8Å; R106-E108 PolarHBondContact O-N 3.01Å; E108-T110 VanDerWaalsContact C-N 3.3Å
109	D	94	Very high	95.4	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.027	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-87.8	0.2	178.2	-57.5	-48.5	0	0	0	113	R57 R86 F87 V105 R106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 3.38Å; R57-D109 PolarHBondContact NH1-OD1 3.15Å; R86-D109 IonicContact CZ-OD1 2.75Å; R86-D109 IonicContact CZ-OD2 2.82Å; R86-D109 IonicContact NH1-OD1 3.26Å; R86-D109 IonicContact NH1-OD2 3.17Å; R86-D109 PolarHBondContact NH1-OD2 3.22Å; R86-D109 IonicContact NH2-OD1 2.8Å; R86-D109 PolarHBondContact NH2-OD1 2.86Å; R86-D109 IonicContact NH2-OD2 2.92Å; R86-D109 PolarHBondContact NH2-OD2 3.33Å; F87-D109 HydrophobicContact CZ-CB 4.06Å; V105-D109 HydrophobicContact CG1-CB 4.19Å; R106-D109 PolarHBondContact N-OD2 2.77Å; R106-D109 WeakPolarHBondContact O-CB 3.31Å; R106-D109 PolarHBondContact O-N 2.96Å; S107-D109 PolarHBondContact O-N 2.99Å; D109-A111 PolarHBondContact O-N 2.8Å; D109-Y113 WeakPolarHBondContact O-CE2 3.28Å; D109-Y113 PolarHBondContact O-OH 3.48Å
110	T	93.7	Very high	95.3	Very high	93 Å²	93	59.1 Å²	59.1	57%	0.571	31%	0.306	S	S	*	.			trans	-66.5	105.4	175.8	-52.3	0	0	0	0	109.4	P60 S107 E108	P60-T110 WeakPolarHBondContact CD-O 3.28Å; S107-T110 WeakPolarHBondContact O-CB 3.46Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.87Å; E108-T110 VanDerWaalsContact C-N 3.3Å
111	A	95.3	Very high	95.1	Very high	23 Å²	23	62.5 Å²	62.5	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-158.9	162.7	-175.5	0	0	0	0	0	110.2	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.87Å; R57-A111 HydrophobicContact CG-CB 4.24Å; Q58-A111 CarbonylContact O-C 3.59Å; Q58-A111 VanDerWaalsContact O-CA 3.26Å; Q58-A111 WeakPolarHBondContact O-CA 3.31Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.43Å; D109-A111 PolarHBondContact O-N 2.8Å; A111-Y113 HydrophobicContact CB-CD2 4.39Å; A111-Y113 HydrophobicContact CB-CE2 3.89Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.37Å; A111-Y113 WeakPolarHBondContact O-CE2 3.28Å
112	T	95.5	Very high	95	Very high	77 Å²	77	61.6 Å²	61.6	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.2	160	-50.9	0	0	0	0	108.2	R57 Q58 F114	R57-T112 CarbonylContact C-O 3.43Å; R57-T112 VanDerWaalsContact CA-O 3.25Å; R57-T112 WeakPolarHBondContact CA-O 3.23Å; Q58-T112 PolarHBondContact N-O 2.87Å; Q58-T112 PolarHBondContact O-N 2.95Å; T112-F114 HydrophobicContact CG2-CD2 4.48Å; T112-F114 HydrophobicContact CG2-CE1 3.8Å; T112-F114 HydrophobicContact CG2-CE2 3.69Å; T112-F114 HydrophobicContact CG2-CZ 3.31Å
113	Y	96.7	Very high	94.9	Very high	28 Å²	28	65.1 Å²	65.1	11%	0.11	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.5	-178.7	-70.9	-102.2	0	0	0	109.3	L39 V56 R57 I67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.46Å; L39-Y113 HydrophobicContact CD1-CD1 4.09Å; L39-Y113 HydrophobicContact CD1-CD2 4Å; L39-Y113 HydrophobicContact CD1-CG 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.4Å; R57-Y113 HydrophobicContact CB-CD1 3.87Å; R57-Y113 HydrophobicContact CB-CE1 3.84Å; R57-Y113 HydrophobicContact CB-CG 4.31Å; I67-Y113 HydrophobicContact CD1-CD1 3.86Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å; F87-Y113 HydrophobicContact CE2-CE1 4.37Å; L100-Y113 HydrophobicContact CD2-CD1 3.73Å; L100-Y113 HydrophobicContact CD2-CE1 3.92Å; M102-Y113 HydrophobicContact SD-CE1 4.21Å; M102-Y113 HydrophobicContact SD-CE2 4.46Å; D109-Y113 WeakPolarHBondContact O-CE2 3.28Å; D109-Y113 PolarHBondContact O-OH 3.48Å; A111-Y113 HydrophobicContact CB-CD2 4.39Å; A111-Y113 HydrophobicContact CB-CE2 3.89Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.37Å; A111-Y113 WeakPolarHBondContact O-CE2 3.28Å
114	F	97.1	Very high	94.8	Very high	68 Å²	68	66.3 Å²	66.3	30%	0.298	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146	178.7	-52.3	-84.5	0	0	0	109.4	E25 W55 V56 Q58 L64 T112	E25-F114 WeakPolarHBondContact OE1-CA 3.48Å; W55-F114 WeakPolarHBondContact CA-O 3.37Å; V56-F114 HydrophobicContact CG2-CB 3.76Å; V56-F114 HydrophobicContact CG2-CD2 4.25Å; V56-F114 HydrophobicContact CG2-CG 4.49Å; V56-F114 PolarHBondContact N-O 3.36Å; V56-F114 PolarHBondContact O-N 3.01Å; V56-F114 VanDerWaalsContact O-O 3.14Å; Q58-F114 HydrophobicContact CB-CE2 4.02Å; L64-F114 HydrophobicContact CD2-CD2 4.03Å; L64-F114 HydrophobicContact CD2-CE2 4.15Å; T112-F114 HydrophobicContact CG2-CD2 4.48Å; T112-F114 HydrophobicContact CG2-CE1 3.8Å; T112-F114 HydrophobicContact CG2-CE2 3.69Å; T112-F114 HydrophobicContact CG2-CZ 3.31Å
115	C	97.5	Very high	94.7	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	153.9	167.3	55.7	0	0	0	0	110.5	L23 E25 C41 S54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.29Å; E25-C115 PolarHBondContact OE1-N 2.59Å; E25-C115 PolarHBondContact OE1-SG 3.16Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 2.99Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 1.99Å; C41-C115 PolarHBondContact SG-SG 2.93Å; S54-C115 CarbonylContact O-C 3.52Å; S54-C115 VanDerWaalsContact O-CA 3.23Å; S54-C115 WeakPolarHBondContact O-CA 3.23Å; W55-C115 HydrophobicContact CE3-CB 4.35Å; W55-C115 HydrophobicContact CH2-CB 4.45Å; W55-C115 HydrophobicContact CZ3-CB 4.29Å; L98-C115 HydrophobicContact CD2-CB 4.05Å
116	M	96.6	Very high	94.7	Very high	79 Å²	79	69 Å²	69	39%	0.389	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.5	178.3	-66.1	-179.2	167.8	0	0	109.8	M53 S54 V56 L64	M53-M116 CarbonylContact C-O 3.58Å; M53-M116 WeakPolarHBondContact CA-O 3.32Å; M53-M116 WeakPolarHBondContact CE-O 3.12Å; S54-M116 PolarHBondContact N-O 2.8Å; S54-M116 PolarHBondContact O-N 2.75Å; V56-M116 HydrophobicContact CB-CE 4.38Å; V56-M116 HydrophobicContact CB-SD 4.36Å; V56-M116 HydrophobicContact CG1-CE 4.07Å; V56-M116 HydrophobicContact CG1-CG 4.35Å; V56-M116 HydrophobicContact CG1-SD 3.49Å; V56-M116 WeakPolarHBondContact CG1-SD 3.24Å; V56-M116 HydrophobicContact CG2-CE 3.47Å; V56-M116 VanDerWaalsContact CG2-CE 3.47Å; V56-M116 HydrophobicContact CG2-CG 4.28Å; V56-M116 HydrophobicContact CG2-SD 3.9Å; L64-M116 HydrophobicContact CD1-CE 4.39Å
117	R	90.9	Very high	94.7	Very high	133 Å²	133	65.1 Å²	65.1	50%	0.502	34%	0.344	S	S	.	.			trans	-105	0	171.7	-178.5	-173.3	68.8	126.1	-7.4	110	F46 F51 M53	F46-R117 HydrophobicContact CD2-CG 4.39Å; F46-R117 HydrophobicContact CE2-CG 3.98Å; F46-R117 HydrophobicContact CZ-CG 4.43Å; F51-R117 HydrophobicContact CB-CG 3.55Å; F51-R117 HydrophobicContact CD1-CG 3.78Å; F51-R117 HydrophobicContact CD2-CG 4.18Å; F51-R117 VanDerWaalsContact CE2-NH1 3.33Å; F51-R117 HydrophobicContact CG-CG 3.55Å; M53-R117 HydrophobicContact CE-CB 4.04Å; M53-R117 HydrophobicContact SD-CB 3.9Å; M53-R117 HydrophobicContact SD-CG 3.97Å

Retrieved 117 of 117 residues in 94.9 ms (Link to these results)

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