A0A075B5T0_MOUSE Loading...

Immunoglobulin heavy variable V3-8

AlphaFold DB , UniProt , Accession A0A075B5T0, Species MOUSE (Mus musculus, Mouse), Gene Ighv3-8, Length 131 aa.

						>A0A075B5T0_MOUSE|A0A075B5T0|Ighv3-8
MMVLSLLYLLTALPGILSEVQLQESGPGLAKPSQTLSLTCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARYTVWSLQCRPRHKPPC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	67.1	Low	68.8	Low	209 Å²	209	129.9 Å²	129.9	100%	1.03	67%	0.674	S	S	*	*				0	-41	0	-74.2	171.4	62.9	0	0	113.5	V3 L4 S5	M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.26Å; M1-L4 PolarHBondContact O-N 2.76Å; M1-S5 PolarHBondContact O-N 3.22Å
2	M	74.8	Confident	68.1	Low	165 Å²	165	124.8 Å²	124.8	81%	0.813	67%	0.666	S	S	*	*	H	α-helix	trans	-59.8	-29.9	179.7	-77.1	175.8	158.6	0	0	115.6	S5 L6	M2-S5 WeakPolarHBondContact CA-OG 3.42Å; M2-S5 PolarHBondContact O-OG 3.3Å; M2-L6 PolarHBondContact O-N 3.18Å
3	V	77.6	Confident	67.8	Low	111 Å²	111	126.9 Å²	126.9	67%	0.673	68%	0.676	S	S	*	*	H	α-helix	trans	-72.4	-35.7	179.7	-173.2	0	0	0	0	111.8	M1 L6 L7	M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.26Å; V3-L6 PolarHBondContact O-N 3.26Å; V3-L7 PolarHBondContact O-N 3.46Å
4	L	73.1	Confident	67.2	Low	121 Å²	121	126.1 Å²	126.1	63%	0.634	68%	0.681	S	S	*	*	H	α-helix	trans	-70.5	-35.2	179.4	-65.4	172.4	0	0	0	111.7	M1 L6 L7 Y8	M1-L4 PolarHBondContact O-N 2.76Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L7 PolarHBondContact O-N 3.26Å; L4-Y8 PolarHBondContact O-N 3.43Å; L4-Y8 VanDerWaalsContact O-N 3.09Å
5	S	69.9	Low	66.8	Low	62 Å²	62	122.5 Å²	122.5	43%	0.434	69%	0.685	S	S	.	*	H	α-helix	trans	-65.4	-35.7	172.6	43.1	0	0	0	0	112.7	M1 M2 Y8 L9	M1-S5 PolarHBondContact O-N 3.22Å; M2-S5 WeakPolarHBondContact CA-OG 3.42Å; M2-S5 PolarHBondContact O-OG 3.3Å; S5-Y8 PolarHBondContact O-N 3.18Å; S5-L9 WeakPolarHBondContact O-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.15Å; S5-L9 VanDerWaalsContact O-N 3.12Å
6	L	67.3	Low	66.7	Low	116 Å²	116	124.8 Å²	124.8	61%	0.607	69%	0.693	S	S	*	*	H	α-helix	trans	-65.6	-40.8	176.8	-129.9	84.5	0	0	0	111.5	M2 V3 L4 L9 L10	M2-L6 PolarHBondContact O-N 3.18Å; V3-L6 PolarHBondContact O-N 3.26Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 2.89Å; L6-L10 WeakPolarHBondContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.33Å
7	L	67.8	Low	66.3	Low	99 Å²	99	126.9 Å²	126.9	52%	0.518	70%	0.702	S	S	.	*	H	α-helix	trans	-65	-38.1	175.3	-68.8	168.2	0	0	0	112	V3 L4 L10 T11	V3-L7 PolarHBondContact O-N 3.46Å; L4-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.09Å; L7-T11 PolarHBondContact O-N 3.34Å
8	Y	68.6	Low	66.6	Low	188 Å²	188	125.2 Å²	125.2	74%	0.737	70%	0.7	S	S	*	*	H	α-helix	trans	-65.8	-39.2	176.8	-126.5	-96	0	0	0	112.6	L4 S5 L10 T11 A12	L4-Y8 PolarHBondContact O-N 3.43Å; L4-Y8 VanDerWaalsContact O-N 3.09Å; S5-Y8 PolarHBondContact O-N 3.18Å; Y8-L10 VanDerWaalsContact C-N 3.34Å; Y8-T11 PolarHBondContact O-N 3.42Å; Y8-T11 PolarHBondContact O-OG1 3.12Å; Y8-A12 PolarHBondContact O-N 3.38Å
9	L	64.4	Low	67.7	Low	129 Å²	129	126.5 Å²	126.5	68%	0.675	70%	0.7	S	S	*	*	H	α-helix	trans	-65.8	-36	175.3	-71.1	168.1	0	0	0	112.3	S5 L6 T11 A12	S5-L9 WeakPolarHBondContact O-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.15Å; S5-L9 VanDerWaalsContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 2.89Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.43Å; L9-A12 PolarHBondContact O-N 3.45Å
10	L	62.1	Low	68.8	Low	119 Å²	119	122.1 Å²	122.1	62%	0.623	68%	0.677	S	S	*	*	H	α-helix	trans	-66.2	-29.9	176.2	-76.4	158.7	0	0	0	112.7	L6 L7 Y8 A12	L6-L10 WeakPolarHBondContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.33Å; L7-L10 PolarHBondContact O-N 3.09Å; Y8-L10 VanDerWaalsContact C-N 3.34Å; L10-A12 VanDerWaalsContact C-N 3.31Å
11	T	64.1	Low	70	Confident	110 Å²	110	121.9 Å²	121.9	68%	0.675	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-9.6	176.7	58.7	0	0	0	0	114.3	L7 Y8 L9 L13	L7-T11 PolarHBondContact O-N 3.34Å; Y8-T11 PolarHBondContact O-N 3.42Å; Y8-T11 PolarHBondContact O-OG1 3.12Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.43Å; T11-L13 VanDerWaalsContact C-N 3.27Å; T11-L13 PolarHBondContact O-N 3.35Å
12	A	60	Low	71.5	Confident	69 Å²	69	114.2 Å²	114.2	57%	0.57	63%	0.634	S	S	*	*			trans	-90.5	37.4	-177.4	0	0	0	0	0	113	Y8 L9 L10 P14	Y8-A12 PolarHBondContact O-N 3.38Å; L9-A12 PolarHBondContact O-N 3.45Å; L10-A12 VanDerWaalsContact C-N 3.31Å; A12-P14 WeakPolarHBondContact O-CD 3.07Å
13	L	64.5	Low	72.6	Confident	152 Å²	152	112.5 Å²	112.5	80%	0.796	62%	0.624	S	S	*	*			trans	-90.4	96.1	168.3	-79	161.7	0	0	0	108.2	T11	T11-L13 VanDerWaalsContact C-N 3.27Å; T11-L13 PolarHBondContact O-N 3.35Å
14	P	59.5	Low	73.5	Confident	115 Å²	115	110.7 Å²	110.7	75%	0.747	61%	0.608	S	S	*	*			trans	-60.7	145.2	-175	26.3	-34.6	0	0	0	110.5	A12 I16	A12-P14 WeakPolarHBondContact O-CD 3.07Å; P14-I16 PolarHBondContact O-N 3.07Å
15	G	60.5	Low	74.7	Confident	72 Å²	72	107.7 Å²	107.7	74%	0.742	60%	0.597	S	S	*	*			trans	-35.9	122.7	-169.5	0	0	0	0	0	114.6	L17	G15-L17 PolarHBondContact O-N 3.26Å
16	I	65.4	Low	75.9	Confident	159 Å²	159	107 Å²	107	82%	0.815	60%	0.6	S	S	*	*			trans	-65.4	92.5	165.3	-59.3	168.3	0	0	0	105.9	P14 S18	P14-I16 PolarHBondContact O-N 3.07Å; I16-S18 PolarHBondContact O-N 3.44Å
17	L	60.2	Low	77	Confident	161 Å²	161	104.6 Å²	104.6	84%	0.843	59%	0.591	S	S	*	*			trans	-52.4	116.1	156.7	-68.5	173.5	0	0	0	104.9	G15 E19	G15-L17 PolarHBondContact O-N 3.26Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.31Å
18	S	72	Confident	77.9	Confident	96 Å²	96	104.1 Å²	104.1	67%	0.671	61%	0.611	S	S	*	*			trans	-67.2	93.2	-176.1	-62.3	0	0	0	0	108.4	I16	I16-S18 PolarHBondContact O-N 3.44Å
19	E	86.8	Confident	78.6	Confident	150 Å²	150	102.6 Å²	102.6	70%	0.701	61%	0.614	S	S	*	*			trans	-69	145.5	173.9	-172.2	173	-168.5	0	0	109.5	L17 Q21	L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.31Å; E19-Q21 PolarHBondContact O-N 3.39Å
20	V	90.8	Very high	79.5	Confident	39 Å²	39	97.5 Å²	97.5	24%	0.236	59%	0.591	C	S	.	*			trans	-72.5	120.1	175.6	-178	0	0	0	0	108.9	T43 Y45	V20-T43 WeakPolarHBondContact CA-O 3.16Å; V20-Y45 HydrophobicContact CG1-CG 4.27Å; V20-Y45 HydrophobicContact CG2-CD2 3.7Å; V20-Y45 HydrophobicContact CG2-CG 3.96Å
21	Q	94.6	Very high	80.6	Confident	117 Å²	117	98.8 Å²	98.8	55%	0.547	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	137.8	178.9	-64.6	177.9	-7.7	0	0	110.4	E19 V42 T43	E19-Q21 PolarHBondContact O-N 3.39Å; Q21-V42 WeakPolarHBondContact O-CA 3.16Å; Q21-T43 PolarHBondContact N-O 3.3Å; Q21-T43 PolarHBondContact O-N 3.28Å
22	L	97.1	Very high	81.8	Confident	49 Å²	49	98 Å²	98	26%	0.257	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	129.2	173.9	-52.8	-180	0	0	0	107.8	S41 V42 W52 C113	L22-S41 WeakPolarHBondContact CA-O 3.36Å; L22-V42 HydrophobicContact CD2-CB 4.31Å; L22-V42 HydrophobicContact CD2-CG1 4.04Å; L22-V42 HydrophobicContact CD2-CG2 3.83Å; L22-W52 HydrophobicContact CD2-CE3 4.35Å; L22-W52 HydrophobicContact CD2-CZ3 3.76Å; L22-C113 HydrophobicContact CB-CB 3.94Å; L22-C113 HydrophobicContact CD1-CB 3.93Å; L22-C113 HydrophobicContact CG-CB 4.49Å
23	Q	97.8	Very high	83.2	Confident	128 Å²	128	99.6 Å²	99.6	60%	0.598	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.8	110.4	179.4	-173.9	-178.5	19.6	0	0	110.3	C40 S41	Q23-C40 WeakPolarHBondContact O-CA 3.3Å; Q23-S41 PolarHBondContact N-O 2.83Å; Q23-S41 PolarHBondContact O-N 3.42Å
24	E	98.1	Very high	84.6	Confident	74 Å²	74	96.8 Å²	96.8	35%	0.346	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75	138.7	173.1	-62.4	80.5	176.9	0	0	111.5	T39 W54 C113	E24-T39 CarbonylContact C-O 3.57Å; E24-T39 WeakPolarHBondContact CA-O 3.31Å; E24-W54 HydrophobicContact CG-CZ3 4.44Å; E24-C113 HydrophobicContact CG-CB 4.23Å; E24-C113 VanDerWaalsContact CG-SG 3.59Å; E24-C113 VanDerWaalsContact OE1-CB 3.28Å; E24-C113 WeakPolarHBondContact OE1-CB 3.49Å; E24-C113 PolarHBondContact OE1-N 2.84Å
25	S	97.8	Very high	86.3	Confident	58 Å²	58	94.5 Å²	94.5	41%	0.406	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.8	155.2	171.9	54.5	0	0	0	0	110.8	L38 T39	S25-L38 CarbonylContact O-C 3.59Å; S25-L38 WeakPolarHBondContact O-CA 3.33Å; S25-T39 PolarHBondContact N-O 2.87Å; S25-T39 PolarHBondContact O-N 2.93Å; S25-T39 WeakPolarHBondContact OG-CB 3.48Å; S25-T39 PolarHBondContact OG-O 3.26Å
26	G	95.5	Very high	87.9	Confident	48 Å²	48	91.7 Å²	91.7	50%	0.495	53%	0.53	S	S	.	.			trans	165.1	178.1	-177.5	0	0	0	0	0	111.6	G28	G26-G28 PolarHBondContact O-N 3.07Å
27	P	90.1	Very high	89.4	Confident	64 Å²	64	86.8 Å²	86.8	42%	0.416	51%	0.509	S	S	.	.			trans	-69.4	129.4	176.4	30.5	-32.9	0	0	0	109.4	L29 L36 S37	P27-L29 PolarHBondContact O-N 3.3Å; P27-L36 HydrophobicContact CG-CD1 3.55Å; P27-S37 WeakPolarHBondContact CD-O 3.46Å
28	G	86.7	Confident	91.3	Very high	90 Å²	90	79.9 Å²	79.9	93%	0.928	47%	0.473	S	S	*	.	S	Bend	trans	-66.7	-19.9	179.2	0	0	0	0	0	114	G26	G26-G28 PolarHBondContact O-N 3.07Å
29	L	81.9	Confident	92.5	Very high	156 Å²	156	76.8 Å²	76.8	82%	0.817	45%	0.451	S	S	*	.			trans	-144.2	133	176.6	-176.3	65.5	0	0	0	109.4	P27	P27-L29 PolarHBondContact O-N 3.3Å
30	A	83.3	Confident	93.1	Very high	22 Å²	22	69.7 Å²	69.7	18%	0.182	42%	0.417	C	S	.	.			trans	-116.8	138.5	168.4	0	0	0	0	0	108.8	L36	A30-L36 HydrophobicContact CB-CB 4.49Å
31	K	86.7	Confident	93.4	Very high	145 Å²	145	68.8 Å²	68.8	63%	0.63	41%	0.413	S	S	*	.			trans	-71.3	153.6	173.1	-59.2	179.4	179.6	179.6	0	109.3	Q34	K31-Q34 HydrophobicContact CB-CG 3.99Å; K31-Q34 VanDerWaalsContact O-CB 3.29Å; K31-Q34 WeakPolarHBondContact O-CB 3.2Å; K31-Q34 WeakPolarHBondContact O-CG 3.27Å; K31-Q34 PolarHBondContact O-N 3.2Å; K31-Q34 VanDerWaalsContact O-N 3.15Å
32	P	88	Confident	93.6	Very high	95 Å²	95	63.6 Å²	63.6	62%	0.617	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	145.4	173.1	-26.9	35.1	0	0	0	112.1	Q34 V103	P32-Q34 PolarHBondContact O-N 2.83Å; P32-V103 CarbonylContact C-O 3.56Å; P32-V103 WeakPolarHBondContact CA-O 3.45Å
33	S	89.7	Confident	93.5	Very high	101 Å²	101	65 Å²	65	71%	0.706	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	0.3	-177.2	-46.4	0	0	0	0	116.1	V103	S33-V103 PolarHBondContact N-O 2.78Å
34	Q	93.4	Very high	93.3	Very high	94 Å²	94	60.9 Å²	60.9	44%	0.439	39%	0.391	S	S	.	.	S	Bend	trans	-81.7	168.5	171.2	-62.9	-171	-46	0	0	111.4	K31 P32 S102 V103	K31-Q34 HydrophobicContact CB-CG 3.99Å; K31-Q34 VanDerWaalsContact O-CB 3.29Å; K31-Q34 WeakPolarHBondContact O-CB 3.2Å; K31-Q34 WeakPolarHBondContact O-CG 3.27Å; K31-Q34 PolarHBondContact O-N 3.2Å; K31-Q34 VanDerWaalsContact O-N 3.15Å; P32-Q34 PolarHBondContact O-N 2.83Å; Q34-S102 PolarHBondContact O-N 2.84Å; Q34-V103 VanDerWaalsContact O-CG2 3.27Å; Q34-V103 WeakPolarHBondContact O-CG2 3.35Å; Q34-V103 PolarHBondContact O-N 3.49Å; Q34-V103 VanDerWaalsContact O-N 3.07Å
35	T	95.1	Very high	93	Very high	66 Å²	66	61 Å²	61	41%	0.405	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-92	122.9	169.8	-60.6	0	0	0	0	109.8	Q99 L100 N101	T35-Q99 HydrophobicContact CG2-CB 4.33Å; T35-L100 CarbonylContact C-O 3.52Å; T35-L100 WeakPolarHBondContact CA-O 3.49Å; T35-N101 WeakPolarHBondContact CG2-OD1 3.32Å; T35-N101 PolarHBondContact OG1-OD1 3.04Å
36	L	95.8	Very high	92.8	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.073	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.6	168.2	172	63.2	0	0	0	108.8	P27 A30 L38 Q99 L100 V103 Y111	P27-L36 HydrophobicContact CG-CD1 3.55Å; A30-L36 HydrophobicContact CB-CB 4.49Å; L36-L38 HydrophobicContact CD1-CD2 3.8Å; L36-L38 HydrophobicContact CD1-CG 4.28Å; L36-L38 HydrophobicContact CD2-CD1 4.36Å; L36-L38 HydrophobicContact CD2-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CG 4.36Å; L36-L38 HydrophobicContact CG-CD2 4.14Å; L36-L38 HydrophobicContact CG-CG 4.08Å; L36-Q99 CarbonylContact O-C 3.6Å; L36-Q99 WeakPolarHBondContact O-CA 3.45Å; L36-L100 HydrophobicContact CB-CB 4.33Å; L36-L100 HydrophobicContact CD2-CD2 4.48Å; L36-L100 PolarHBondContact N-O 2.71Å; L36-L100 PolarHBondContact O-N 3.28Å; L36-V103 HydrophobicContact CB-CG2 3.62Å; L36-Y111 HydrophobicContact CD2-CD2 4.4Å; L36-Y111 HydrophobicContact CD2-CE1 4.47Å; L36-Y111 HydrophobicContact CD2-CE2 3.83Å
37	S	97	Very high	92.8	Very high	55 Å²	55	58.3 Å²	58.3	39%	0.385	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118	174.6	-61.2	0	0	0	0	110	P27 L98	P27-S37 WeakPolarHBondContact CD-O 3.46Å; S37-L98 WeakPolarHBondContact CA-O 3.36Å
38	L	98.3	Very high	93.1	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.1	177.2	-57.3	177.8	0	0	0	110.2	S25 L36 W54 Y97 L98 Y111	S25-L38 CarbonylContact O-C 3.59Å; S25-L38 WeakPolarHBondContact O-CA 3.33Å; L36-L38 HydrophobicContact CD1-CD2 3.8Å; L36-L38 HydrophobicContact CD1-CG 4.28Å; L36-L38 HydrophobicContact CD2-CD1 4.36Å; L36-L38 HydrophobicContact CD2-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CG 4.36Å; L36-L38 HydrophobicContact CG-CD2 4.14Å; L36-L38 HydrophobicContact CG-CG 4.08Å; L38-W54 HydrophobicContact CB-CH2 3.75Å; L38-W54 HydrophobicContact CB-CZ2 4.24Å; L38-W54 HydrophobicContact CB-CZ3 4.19Å; L38-W54 HydrophobicContact CD1-CZ3 4.12Å; L38-Y97 CarbonylContact O-C 3.41Å; L38-Y97 WeakPolarHBondContact O-CA 3.39Å; L38-L98 HydrophobicContact CB-CB 4.31Å; L38-L98 HydrophobicContact CD1-CD2 4.11Å; L38-L98 PolarHBondContact N-O 2.81Å; L38-L98 PolarHBondContact O-N 2.88Å; L38-Y111 HydrophobicContact CD1-CD1 3.59Å; L38-Y111 HydrophobicContact CD1-CD2 3.94Å; L38-Y111 HydrophobicContact CD1-CE1 4.39Å; L38-Y111 HydrophobicContact CD1-CG 3.33Å
39	T	98.6	Very high	93.3	Very high	31 Å²	31	57.2 Å²	57.2	19%	0.19	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	178.3	-58.6	0	0	0	0	109.1	E24 S25 Q95 Y97	E24-T39 CarbonylContact C-O 3.57Å; E24-T39 WeakPolarHBondContact CA-O 3.31Å; S25-T39 PolarHBondContact N-O 2.87Å; S25-T39 PolarHBondContact O-N 2.93Å; S25-T39 WeakPolarHBondContact OG-CB 3.48Å; S25-T39 PolarHBondContact OG-O 3.26Å; T39-Q95 HydrophobicContact CG2-CB 4.39Å; T39-Q95 HydrophobicContact CG2-CG 4.12Å; T39-Y97 HydrophobicContact CG2-CD1 3.86Å; T39-Y97 HydrophobicContact CG2-CE1 3.56Å; T39-Y97 VanDerWaalsContact OG1-CD1 3.31Å; T39-Y97 WeakPolarHBondContact OG1-CD1 3.45Å; T39-Y97 WeakPolarHBondContact OG1-CE1 3.42Å
40	C	98.4	Very high	93.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.2	169.6	-161.5	0	0	0	0	110.4	Q23 W54 Q95 Y96 C113	Q23-C40 WeakPolarHBondContact O-CA 3.3Å; C40-W54 HydrophobicContact CB-CH2 3.92Å; C40-W54 HydrophobicContact CB-CZ2 3.76Å; C40-Q95 VanDerWaalsContact O-CA 3.22Å; C40-Q95 WeakPolarHBondContact O-CA 3.43Å; C40-Y96 HydrophobicContact CB-CD1 3.6Å; C40-Y96 HydrophobicContact CB-CD2 4.2Å; C40-Y96 HydrophobicContact CB-CE1 3.28Å; C40-Y96 HydrophobicContact CB-CE2 3.89Å; C40-Y96 HydrophobicContact CB-CG 4.07Å; C40-Y96 VanDerWaalsContact CB-CZ 3.43Å; C40-Y96 PolarHBondContact N-O 2.98Å; C40-Y96 PolarHBondContact O-N 2.91Å; C40-Y96 WeakPolarHBondContact SG-CE1 3.23Å; C40-Y96 PolarHBondContact SG-OH 3.22Å; C40-Y96 VanDerWaalsContact SG-OH 3.33Å; C40-C113 HydrophobicContact CB-CB 4.22Å; C40-C113 WeakPolarHBondContact CB-SG 3.41Å; C40-C113 WeakPolarHBondContact SG-CB 3.2Å; C40-C113 CovalentContact SG-SG 2Å; C40-C113 PolarHBondContact SG-SG 3.22Å
41	S	98.3	Very high	94.4	Very high	21 Å²	21	53.8 Å²	53.8	15%	0.147	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.8	173.7	-56	0	0	0	0	110.1	L22 Q23 Q95	L22-S41 WeakPolarHBondContact CA-O 3.36Å; Q23-S41 PolarHBondContact N-O 2.83Å; Q23-S41 PolarHBondContact O-N 3.42Å; S41-Q95 PolarHBondContact OG-NE2 2.88Å
42	V	97.2	Very high	94.8	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.6	177.1	-173.8	0	0	0	0	108.8	Q21 L22 Y45 I47 W52 N94 Y96	Q21-V42 WeakPolarHBondContact O-CA 3.16Å; L22-V42 HydrophobicContact CD2-CB 4.31Å; L22-V42 HydrophobicContact CD2-CG1 4.04Å; L22-V42 HydrophobicContact CD2-CG2 3.83Å; V42-Y45 WeakPolarHBondContact CG1-O 3.42Å; V42-I47 HydrophobicContact CG2-CD1 4.2Å; V42-I47 HydrophobicContact CG2-CG1 4.42Å; V42-W52 HydrophobicContact CG1-CH2 3.76Å; V42-W52 HydrophobicContact CG1-CZ2 4.48Å; V42-W52 HydrophobicContact CG1-CZ3 4.09Å; V42-W52 HydrophobicContact CG2-CE3 4.18Å; V42-W52 HydrophobicContact CG2-CH2 4.23Å; V42-W52 HydrophobicContact CG2-CZ3 3.98Å; V42-N94 PolarHBondContact N-O 3.32Å; V42-N94 PolarHBondContact O-ND2 3.46Å; V42-Y96 HydrophobicContact CG2-CD1 4.19Å; V42-Y96 HydrophobicContact CG2-CE1 3.93Å
43	T	95.7	Very high	95.3	Very high	79 Å²	79	43 Å²	43	49%	0.485	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	175	-54.5	0	0	0	0	109.6	V20 Q21 Y45	V20-T43 WeakPolarHBondContact CA-O 3.16Å; Q21-T43 PolarHBondContact N-O 3.3Å; Q21-T43 PolarHBondContact O-N 3.28Å; T43-Y45 PolarHBondContact O-N 3.42Å
44	G	93.2	Very high	95.7	Very high	41 Å²	41	38.3 Å²	38.3	42%	0.423	22%	0.224	S	C	.	.	S	Bend	trans	73.4	4.1	-178.4	0	0	0	0	0	114.8
45	Y	92.4	Very high	95.9	Very high	78 Å²	78	36 Å²	36	31%	0.306	22%	0.215	S	C	.	.	S	Bend	trans	-152.8	151.8	179.3	-155.3	-99	0	0	0	111.7	V20 V42 T43 D50 W52 N94	V20-Y45 HydrophobicContact CG1-CG 4.27Å; V20-Y45 HydrophobicContact CG2-CD2 3.7Å; V20-Y45 HydrophobicContact CG2-CG 3.96Å; V42-Y45 WeakPolarHBondContact CG1-O 3.42Å; T43-Y45 PolarHBondContact O-N 3.42Å; Y45-D50 HydrophobicContact CE1-CB 3.94Å; Y45-W52 AromaticContact CD1-CH2 3.59Å; Y45-W52 HydrophobicContact CD1-CH2 3.59Å; Y45-W52 AromaticContact CD1-CZ2 3.71Å; Y45-W52 HydrophobicContact CD1-CZ2 3.71Å; Y45-W52 HydrophobicContact CE1-CH2 4.22Å; Y45-W52 HydrophobicContact CE1-CZ2 4.08Å; Y45-W52 HydrophobicContact CG-CH2 4.46Å; Y45-N94 PolarHBondContact O-ND2 2.95Å
46	S	94.4	Very high	95.9	Very high	49 Å²	49	33.4 Å²	33.4	34%	0.343	20%	0.198	S	C	.	.			trans	-90.1	130.8	175.6	-177.4	0	0	0	0	111.8	T48 S49	S46-T48 PolarHBondContact O-N 3.43Å; S46-T48 VanDerWaalsContact O-N 3.12Å; S46-T48 PolarHBondContact OG-N 2.72Å; S46-T48 PolarHBondContact OG-OG1 2.85Å; S46-S49 PolarHBondContact O-N 3.24Å; S46-S49 VanDerWaalsContact O-N 3.14Å
47	I	95.3	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.1	175.2	-152.1	168.1	0	0	0	113.6	V42 S49 W52 R89 T91 N94 Q95 Y96	V42-I47 HydrophobicContact CG2-CD1 4.2Å; V42-I47 HydrophobicContact CG2-CG1 4.42Å; I47-S49 VanDerWaalsContact C-N 3.27Å; I47-S49 PolarHBondContact O-N 3.49Å; I47-W52 HydrophobicContact CB-CZ2 4.43Å; I47-W52 HydrophobicContact CD1-CG 4.46Å; I47-W52 VanDerWaalsContact CG1-CD1 3.43Å; I47-W52 HydrophobicContact CG1-CD2 3.94Å; I47-W52 HydrophobicContact CG1-CG 3.88Å; I47-W52 HydrophobicContact CG1-CZ2 4.19Å; I47-W52 PolarHBondContact O-NE1 2.78Å; I47-R89 HydrophobicContact CD1-CG 3.6Å; I47-R89 HydrophobicContact CG1-CG 4.09Å; I47-R89 HydrophobicContact CG2-CG 4.12Å; I47-R89 PolarHBondContact O-NH1 2.93Å; I47-T91 HydrophobicContact CG2-CG2 4.16Å; I47-N94 VanDerWaalsContact CB-OD1 3.31Å; I47-N94 WeakPolarHBondContact CB-OD1 3.18Å; I47-N94 WeakPolarHBondContact CG2-OD1 3.32Å; I47-N94 PolarHBondContact N-OD1 3.12Å; I47-Q95 WeakPolarHBondContact CD1-O 2.98Å; I47-Y96 HydrophobicContact CD1-CD1 3.46Å; I47-Y96 VanDerWaalsContact CD1-CD1 3.46Å; I47-Y96 HydrophobicContact CD1-CE1 4.45Å; I47-Y96 HydrophobicContact CD1-CG 4.01Å; I47-Y96 HydrophobicContact CG1-CD1 4.39Å
48	T	95.3	Very high	95.9	Very high	65 Å²	65	34.8 Å²	34.8	40%	0.399	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	14.3	175.6	66.3	0	0	0	0	113.4	S46 Y71 T91	S46-T48 PolarHBondContact O-N 3.43Å; S46-T48 VanDerWaalsContact O-N 3.12Å; S46-T48 PolarHBondContact OG-N 2.72Å; S46-T48 PolarHBondContact OG-OG1 2.85Å; T48-Y71 VanDerWaalsContact C-CB 3.45Å; T48-Y71 WeakPolarHBondContact O-CB 3.46Å; T48-T91 HydrophobicContact CG2-CG2 3.52Å
49	S	91.6	Very high	95.6	Very high	66 Å²	66	39.2 Å²	39.2	46%	0.462	23%	0.226	S	C	.	.	S	Bend	trans	-124.3	-1.4	-175.3	-59.2	0	0	0	0	114.6	S46 I47	S46-S49 PolarHBondContact O-N 3.24Å; S46-S49 VanDerWaalsContact O-N 3.14Å; I47-S49 VanDerWaalsContact C-N 3.27Å; I47-S49 PolarHBondContact O-N 3.49Å
50	D	92.8	Very high	95.3	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.123	25%	0.254	C	S	.	.	S	Bend	trans	-152.4	-175.7	-177.1	-145.9	-30	0	0	0	113	Y45 W52 S70 Y71 R115	Y45-D50 HydrophobicContact CE1-CB 3.94Å; D50-W52 HydrophobicContact CB-CH2 4.47Å; D50-W52 HydrophobicContact CB-CZ2 3.86Å; D50-W52 PolarHBondContact O-NE1 2.87Å; D50-S70 CarbonylContact O-C 3.55Å; D50-Y71 WeakPolarHBondContact O-CA 3.45Å; D50-Y71 WeakPolarHBondContact O-CB 3.3Å; D50-Y71 PolarHBondContact O-N 2.8Å; D50-R115 HydrophobicContact CB-CG 4.17Å; D50-R115 WeakPolarHBondContact OD2-CD 3.42Å; D50-R115 WeakPolarHBondContact OD2-CG 3.45Å; D50-R115 IonicContact OD2-NE 2.67Å
51	Y	94.8	Very high	94.8	Very high	83 Å²	83	46.9 Å²	46.9	33%	0.325	28%	0.284	S	S	.	.			trans	-99.6	135.5	169.7	-55.8	-103.1	0	0	0	110.5	N53 Y68 S70 Y71 Y116	Y51-N53 PolarHBondContact O-ND2 2.88Å; Y51-Y68 AromaticContact CD1-CD2 3.8Å; Y51-Y68 HydrophobicContact CD1-CD2 3.8Å; Y51-Y68 AromaticContact CD1-CE2 3.71Å; Y51-Y68 HydrophobicContact CD1-CE2 3.71Å; Y51-Y68 HydrophobicContact CD1-CG 4.46Å; Y51-Y68 HydrophobicContact CE1-CE2 4.06Å; Y51-S70 VanDerWaalsContact CD1-CB 3.49Å; Y51-S70 VanDerWaalsContact CE1-CB 3.46Å; Y51-Y71 HydrophobicContact CE2-CD1 4.49Å; Y51-Y71 HydrophobicContact CE2-CE1 4.45Å; Y51-Y116 HydrophobicContact CD2-CD1 4.3Å; Y51-Y116 HydrophobicContact CD2-CG 4.49Å; Y51-Y116 PolarHBondContact O-N 3.4Å
52	W	96.7	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.2	-173.6	-55.3	98.2	0	0	0	109.5	L22 V42 Y45 I47 D50 Y68 I69 Y96 R115	L22-W52 HydrophobicContact CD2-CE3 4.35Å; L22-W52 HydrophobicContact CD2-CZ3 3.76Å; V42-W52 HydrophobicContact CG1-CH2 3.76Å; V42-W52 HydrophobicContact CG1-CZ2 4.48Å; V42-W52 HydrophobicContact CG1-CZ3 4.09Å; V42-W52 HydrophobicContact CG2-CE3 4.18Å; V42-W52 HydrophobicContact CG2-CH2 4.23Å; V42-W52 HydrophobicContact CG2-CZ3 3.98Å; Y45-W52 AromaticContact CD1-CH2 3.59Å; Y45-W52 HydrophobicContact CD1-CH2 3.59Å; Y45-W52 AromaticContact CD1-CZ2 3.71Å; Y45-W52 HydrophobicContact CD1-CZ2 3.71Å; Y45-W52 HydrophobicContact CE1-CH2 4.22Å; Y45-W52 HydrophobicContact CE1-CZ2 4.08Å; Y45-W52 HydrophobicContact CG-CH2 4.46Å; I47-W52 HydrophobicContact CB-CZ2 4.43Å; I47-W52 HydrophobicContact CD1-CG 4.46Å; I47-W52 VanDerWaalsContact CG1-CD1 3.43Å; I47-W52 HydrophobicContact CG1-CD2 3.94Å; I47-W52 HydrophobicContact CG1-CG 3.88Å; I47-W52 HydrophobicContact CG1-CZ2 4.19Å; I47-W52 PolarHBondContact O-NE1 2.78Å; D50-W52 HydrophobicContact CB-CH2 4.47Å; D50-W52 HydrophobicContact CB-CZ2 3.86Å; D50-W52 PolarHBondContact O-NE1 2.87Å; W52-Y68 CarbonylContact O-C 3.59Å; W52-Y68 WeakPolarHBondContact O-CA 3.28Å; W52-Y68 WeakPolarHBondContact O-CB 2.91Å; W52-I69 HydrophobicContact CB-CG2 4.05Å; W52-I69 PolarHBondContact N-O 3.48Å; W52-I69 PolarHBondContact O-N 2Å; W52-Y96 HydrophobicContact CB-CD1 3.96Å; W52-Y96 HydrophobicContact CB-CD2 3.85Å; W52-Y96 HydrophobicContact CB-CE1 3.79Å; W52-Y96 HydrophobicContact CB-CE2 3.72Å; W52-Y96 HydrophobicContact CB-CG 3.97Å; W52-Y96 HydrophobicContact CD2-CE1 4.15Å; W52-Y96 AromaticContact CE3-CE1 3.91Å; W52-Y96 HydrophobicContact CE3-CE1 3.91Å; W52-Y96 HydrophobicContact CG-CD1 4.2Å; W52-Y96 HydrophobicContact CG-CE1 4.11Å; W52-R115 HydrophobicContact CE3-CB 4.28Å; W52-R115 HydrophobicContact CE3-CG 4.43Å; W52-R115 HydrophobicContact CH2-CB 4.46Å; W52-R115 HydrophobicContact CH2-CG 4.05Å; W52-R115 HydrophobicContact CZ3-CB 3.79Å; W52-R115 HydrophobicContact CZ3-CG 3.84Å
53	N	97.4	Very high	94.5	Very high	14 Å²	14	57.3 Å²	57.3	8%	0.075	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.3	-168.1	-60.4	-93.8	0	0	0	110.4	Y51 Y65 G67 Y68 A114 Y116	Y51-N53 PolarHBondContact O-ND2 2.88Å; N53-Y65 HydrophobicContact CB-CE2 4.01Å; N53-Y65 VanDerWaalsContact OD1-CE2 3.3Å; N53-Y65 WeakPolarHBondContact OD1-CE2 3.48Å; N53-Y65 PolarHBondContact OD1-OH 2.86Å; N53-G67 WeakPolarHBondContact CA-O 3.33Å; N53-Y68 WeakPolarHBondContact OD1-CB 3.43Å; N53-A114 HydrophobicContact CB-CB 4.22Å; N53-A114 WeakPolarHBondContact CB-O 3.43Å; N53-A114 PolarHBondContact N-O 2.8Å; N53-A114 PolarHBondContact ND2-O 3.19Å; N53-A114 PolarHBondContact O-N 3.4Å; N53-Y116 PolarHBondContact ND2-N 2.88Å
54	W	97.9	Very high	94.6	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.1	166.6	-76.4	104.4	0	0	0	110.1	E24 L38 C40 M66 G67 Y96 L98	E24-W54 HydrophobicContact CG-CZ3 4.44Å; L38-W54 HydrophobicContact CB-CH2 3.75Å; L38-W54 HydrophobicContact CB-CZ2 4.24Å; L38-W54 HydrophobicContact CB-CZ3 4.19Å; L38-W54 HydrophobicContact CD1-CZ3 4.12Å; C40-W54 HydrophobicContact CB-CH2 3.92Å; C40-W54 HydrophobicContact CB-CZ2 3.76Å; W54-M66 HydrophobicContact CB-CB 4.16Å; W54-M66 WeakPolarHBondContact O-CB 2.9Å; W54-M66 PolarHBondContact O-N 2.92Å; W54-G67 PolarHBondContact N-O 2.73Å; W54-Y96 AromaticContact CD1-CD2 3.98Å; W54-Y96 AromaticContact CD1-CE2 3.87Å; W54-Y96 HydrophobicContact CD2-CE2 4.29Å; W54-Y96 AromaticContact CE2-CD2 3.87Å; W54-Y96 AromaticContact CE2-CE2 3.66Å; W54-Y96 HydrophobicContact CG-CE2 4.42Å; W54-Y96 HydrophobicContact CZ2-CD2 4.23Å; W54-Y96 HydrophobicContact CZ2-CE2 4.1Å; W54-Y96 AromaticContact NE1-CD2 3.26Å; W54-Y96 VanDerWaalsContact NE1-CD2 3.26Å; W54-Y96 AromaticContact NE1-CE2 3.38Å; W54-L98 HydrophobicContact CB-CD2 4.29Å; W54-L98 HydrophobicContact CD2-CB 3.82Å; W54-L98 HydrophobicContact CD2-CD2 4.19Å; W54-L98 HydrophobicContact CE3-CD2 4.41Å; W54-L98 HydrophobicContact CG-CB 3.97Å; W54-L98 HydrophobicContact CG-CD1 4.36Å; W54-L98 HydrophobicContact CG-CD2 4.15Å; W54-L98 HydrophobicContact CG-CG 4.4Å; W54-L98 HydrophobicContact CZ2-CB 4.06Å
55	I	97.1	Very high	94.7	Very high	47 Å²	47	57 Å²	57	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.3	178.1	-57.4	171.3	0	0	0	107.2	L63 Y65 Y112 A114	I55-L63 HydrophobicContact CG2-CB 4.47Å; I55-L63 HydrophobicContact CG2-CD2 4.17Å; I55-Y65 HydrophobicContact CG1-CD2 4.23Å; I55-Y112 PolarHBondContact N-O 2.67Å; I55-Y112 PolarHBondContact O-N 2.83Å; I55-A114 HydrophobicContact CD1-CB 3.9Å
56	R	95.9	Very high	94.9	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.038	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.2	171.3	66	-178.6	178.9	173.1	8.6	111.6	F58 L63 E64 M66 D107 A109 T110 Y111	R56-F58 HydrophobicContact CG-CE2 4.25Å; R56-F58 HydrophobicContact CG-CZ 4.19Å; R56-L63 CarbonylContact O-C 3.57Å; R56-L63 WeakPolarHBondContact O-CA 3.22Å; R56-E64 HydrophobicContact CG-CB 4.06Å; R56-E64 IonicContact CZ-OE2 3.72Å; R56-E64 PolarHBondContact N-O 3.41Å; R56-E64 IonicContact NE-OE2 3.67Å; R56-E64 PolarHBondContact NE-OE2 2.95Å; R56-E64 IonicContact NH2-OE2 2.86Å; R56-E64 PolarHBondContact NH2-OE2 2.73Å; R56-E64 PolarHBondContact O-N 3.06Å; R56-M66 HydrophobicContact CB-SD 3.96Å; R56-M66 HydrophobicContact CG-CG 4.1Å; R56-M66 HydrophobicContact CG-SD 3.95Å; R56-D107 IonicContact CZ-OD1 3.14Å; R56-D107 IonicContact NH1-OD1 3.88Å; R56-D107 PolarHBondContact NH1-OD1 3.21Å; R56-D107 IonicContact NH2-OD1 2.73Å; R56-A109 HydrophobicContact CB-CB 3.93Å; R56-A109 HydrophobicContact CG-CB 4.38Å; R56-T110 CarbonylContact C-O 3.6Å; R56-T110 WeakPolarHBondContact CA-O 3.14Å; R56-Y111 HydrophobicContact CB-CD1 3.81Å; R56-Y111 HydrophobicContact CB-CE1 3.86Å; R56-Y111 HydrophobicContact CB-CG 4.31Å; R56-Y111 HydrophobicContact CG-CE1 4.49Å
57	K	96.7	Very high	95.1	Very high	65 Å²	65	50.9 Å²	50.9	28%	0.283	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.1	179.5	-172.7	-177.3	176.8	-167.6	0	109.5	N61 K62 L63 A109 T110 Y112	K57-N61 WeakPolarHBondContact CE-OD1 3.46Å; K57-N61 PolarHBondContact NZ-OD1 2.78Å; K57-K62 WeakPolarHBondContact CA-O 2.79Å; K57-L63 HydrophobicContact CB-CD2 3.66Å; K57-L63 HydrophobicContact CD-CD2 4.25Å; K57-L63 HydrophobicContact CG-CD2 3.73Å; K57-A109 WeakPolarHBondContact O-CA 3.21Å; K57-A109 WeakPolarHBondContact O-CB 3.43Å; K57-T110 PolarHBondContact N-O 2.81Å; K57-T110 PolarHBondContact O-N 3.34Å; K57-Y112 HydrophobicContact CB-CD2 4.17Å; K57-Y112 HydrophobicContact CB-CE2 3.7Å; K57-Y112 HydrophobicContact CD-CE2 4.1Å
58	F	95.6	Very high	95.2	Very high	33 Å²	33	53.8 Å²	53.8	15%	0.145	29%	0.29	C	S	.	.			trans	-79.3	157.9	177.4	-64.7	-75.6	0	0	0	112	R56 G60 N61 K62 E64 E106 A109	R56-F58 HydrophobicContact CG-CE2 4.25Å; R56-F58 HydrophobicContact CG-CZ 4.19Å; F58-G60 PolarHBondContact O-N 3.09Å; F58-N61 PolarHBondContact O-N 3.14Å; F58-K62 HydrophobicContact CB-CB 4.33Å; F58-K62 HydrophobicContact CD2-CB 4.25Å; F58-K62 HydrophobicContact CD2-CD 4.07Å; F58-K62 HydrophobicContact CD2-CG 4.07Å; F58-K62 PolarHBondContact N-O 2.87Å; F58-E64 HydrophobicContact CE2-CB 3.83Å; F58-E106 WeakPolarHBondContact CE1-O 3.3Å; F58-A109 HydrophobicContact CD1-CB 3.92Å; F58-A109 HydrophobicContact CE1-CB 4.05Å
59	P	92.2	Very high	95.3	Very high	111 Å²	111	51.1 Å²	51.1	72%	0.721	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	125.5	161	-23.5	34	0	0	0	109.5
60	G	93.3	Very high	95.5	Very high	75 Å²	75	48.1 Å²	48.1	77%	0.773	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	11.3	-172.4	0	0	0	0	0	115.7	F58 K62	F58-G60 PolarHBondContact O-N 3.09Å; G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.77Å
61	N	87.6	Confident	95.5	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	27%	0.268	S	S	*	.	S	Bend	trans	68.1	8.9	173.1	-58.1	-54.6	0	0	0	116.6	K57 F58 L63	K57-N61 WeakPolarHBondContact CE-OD1 3.46Å; K57-N61 PolarHBondContact NZ-OD1 2.78Å; F58-N61 PolarHBondContact O-N 3.14Å; N61-L63 PolarHBondContact O-N 3.21Å
62	K	94.1	Very high	95.5	Very high	133 Å²	133	52.3 Å²	52.3	58%	0.578	28%	0.278	S	S	*	.			trans	-66.5	126.9	169.8	176.6	-175.4	163.5	-171.2	0	109.7	K57 F58 G60	K57-K62 WeakPolarHBondContact CA-O 2.79Å; F58-K62 HydrophobicContact CB-CB 4.33Å; F58-K62 HydrophobicContact CD2-CB 4.25Å; F58-K62 HydrophobicContact CD2-CD 4.07Å; F58-K62 HydrophobicContact CD2-CG 4.07Å; F58-K62 PolarHBondContact N-O 2.87Å; G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.77Å
63	L	95.4	Very high	95.5	Very high	113 Å²	113	54 Å²	54	59%	0.592	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.6	173.9	-65	172.7	0	0	0	110.3	I55 R56 K57 N61	I55-L63 HydrophobicContact CG2-CB 4.47Å; I55-L63 HydrophobicContact CG2-CD2 4.17Å; R56-L63 CarbonylContact O-C 3.57Å; R56-L63 WeakPolarHBondContact O-CA 3.22Å; K57-L63 HydrophobicContact CB-CD2 3.66Å; K57-L63 HydrophobicContact CD-CD2 4.25Å; K57-L63 HydrophobicContact CG-CD2 3.73Å; N61-L63 PolarHBondContact O-N 3.21Å
64	E	96	Very high	95.5	Very high	36 Å²	36	56.5 Å²	56.5	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.7	170.7	-178.4	173.9	-134.7	0	0	110.2	R56 F58	R56-E64 HydrophobicContact CG-CB 4.06Å; R56-E64 IonicContact CZ-OE2 3.72Å; R56-E64 PolarHBondContact N-O 3.41Å; R56-E64 IonicContact NE-OE2 3.67Å; R56-E64 PolarHBondContact NE-OE2 2.95Å; R56-E64 IonicContact NH2-OE2 2.86Å; R56-E64 PolarHBondContact NH2-OE2 2.73Å; R56-E64 PolarHBondContact O-N 3.06Å; F58-E64 HydrophobicContact CE2-CB 3.83Å
65	Y	96.5	Very high	95.4	Very high	77 Å²	77	59.2 Å²	59.2	30%	0.302	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.9	172.5	-179.5	-102	0	0	0	110.2	N53 I55 G67 Y68 Y76 N78	N53-Y65 HydrophobicContact CB-CE2 4.01Å; N53-Y65 VanDerWaalsContact OD1-CE2 3.3Å; N53-Y65 WeakPolarHBondContact OD1-CE2 3.48Å; N53-Y65 PolarHBondContact OD1-OH 2.86Å; I55-Y65 HydrophobicContact CG1-CD2 4.23Å; Y65-G67 VanDerWaalsContact CZ-C 3.47Å; Y65-G67 PolarHBondContact OH-O 3.36Å; Y65-Y68 WeakPolarHBondContact OH-CB 3.06Å; Y65-Y68 WeakPolarHBondContact OH-CD1 3.49Å; Y65-Y68 PolarHBondContact OH-N 2.94Å; Y65-Y76 HydrophobicContact CE1-CD1 4.01Å; Y65-Y76 HydrophobicContact CE1-CE1 4.07Å; Y65-N78 VanDerWaalsContact O-CB 3.28Å; Y65-N78 WeakPolarHBondContact O-CB 3.32Å; Y65-N78 PolarHBondContact O-ND2 2.76Å
66	M	97.3	Very high	95.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-42	-177.5	-57.1	-173.4	75	0	0	112.4	W54 R56 N78 L81 I85 L98 Y111	W54-M66 HydrophobicContact CB-CB 4.16Å; W54-M66 WeakPolarHBondContact O-CB 2.9Å; W54-M66 PolarHBondContact O-N 2.92Å; R56-M66 HydrophobicContact CB-SD 3.96Å; R56-M66 HydrophobicContact CG-CG 4.1Å; R56-M66 HydrophobicContact CG-SD 3.95Å; M66-N78 WeakPolarHBondContact O-CB 3.45Å; M66-N78 PolarHBondContact O-N 2.84Å; M66-L81 HydrophobicContact CB-CD1 4.26Å; M66-L81 HydrophobicContact CE-CD1 4Å; M66-L81 HydrophobicContact CG-CD1 3.99Å; M66-I85 HydrophobicContact CB-CD1 4.38Å; M66-I85 HydrophobicContact CE-CG2 4.02Å; M66-I85 WeakPolarHBondContact O-CD1 3.09Å; M66-L98 HydrophobicContact CE-CD2 3.75Å; M66-L98 HydrophobicContact SD-CD2 3.69Å; M66-Y111 HydrophobicContact CE-CD1 4.43Å; M66-Y111 HydrophobicContact CE-CE1 3.8Å; M66-Y111 HydrophobicContact SD-CD1 3.66Å; M66-Y111 HydrophobicContact SD-CE1 3.55Å; M66-Y111 VanDerWaalsContact SD-CE1 3.55Å
67	G	97.2	Very high	95.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	178.8	-177.7	0	0	0	0	0	113	N53 W54 Y65 Y76	N53-G67 WeakPolarHBondContact CA-O 3.33Å; W54-G67 PolarHBondContact N-O 2.73Å; Y65-G67 VanDerWaalsContact CZ-C 3.47Å; Y65-G67 PolarHBondContact OH-O 3.36Å; G67-Y76 CarbonylContact C-O 3.51Å; G67-Y76 WeakPolarHBondContact CA-O 3.27Å
68	Y	97.1	Very high	95.4	Very high	61 Å²	61	60.4 Å²	60.4	24%	0.239	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.6	172.6	72.1	-109.5	0	0	0	112.4	Y51 W52 N53 Y65 T75 Y76	Y51-Y68 AromaticContact CD1-CD2 3.8Å; Y51-Y68 HydrophobicContact CD1-CD2 3.8Å; Y51-Y68 AromaticContact CD1-CE2 3.71Å; Y51-Y68 HydrophobicContact CD1-CE2 3.71Å; Y51-Y68 HydrophobicContact CD1-CG 4.46Å; Y51-Y68 HydrophobicContact CE1-CE2 4.06Å; W52-Y68 CarbonylContact O-C 3.59Å; W52-Y68 WeakPolarHBondContact O-CA 3.28Å; W52-Y68 WeakPolarHBondContact O-CB 2.91Å; N53-Y68 WeakPolarHBondContact OD1-CB 3.43Å; Y65-Y68 WeakPolarHBondContact OH-CB 3.06Å; Y65-Y68 WeakPolarHBondContact OH-CD1 3.49Å; Y65-Y68 PolarHBondContact OH-N 2.94Å; Y68-T75 VanDerWaalsContact O-CA 3.26Å; Y68-T75 WeakPolarHBondContact O-CA 3.09Å; Y68-Y76 HydrophobicContact CD1-CD1 4.24Å; Y68-Y76 HydrophobicContact CD1-CG 4.37Å; Y68-Y76 HydrophobicContact CE1-CD1 4.12Å; Y68-Y76 AromaticContact CE1-CG 3.93Å; Y68-Y76 HydrophobicContact CE1-CG 3.93Å; Y68-Y76 VanDerWaalsContact CZ-CB 3.49Å; Y68-Y76 PolarHBondContact N-O 2.99Å; Y68-Y76 PolarHBondContact O-N 3.06Å
69	I	97.7	Very high	95.5	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.041	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.4	157.9	-173.1	157.5	0	0	0	109.8	W52 S74 T75 I87 R89 Y96	W52-I69 HydrophobicContact CB-CG2 4.05Å; W52-I69 PolarHBondContact N-O 3.48Å; W52-I69 PolarHBondContact O-N 2Å; I69-S74 CarbonylContact C-O 3.59Å; I69-S74 WeakPolarHBondContact CA-O 3.41Å; I69-T75 HydrophobicContact CB-CG2 4.17Å; I69-T75 HydrophobicContact CD1-CG2 4Å; I69-T75 HydrophobicContact CG1-CG2 4.02Å; I69-I87 HydrophobicContact CB-CG2 3.68Å; I69-I87 HydrophobicContact CG2-CG2 3.64Å; I69-R89 HydrophobicContact CD1-CB 3.84Å; I69-Y96 HydrophobicContact CG2-CD2 4.43Å
70	S	95.6	Very high	95.6	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.021	35%	0.353	C	S	.	.			trans	-82.3	168.5	179.4	73	0	0	0	0	111.5	D50 Y51 S72 G73 S74 R89	D50-S70 CarbonylContact O-C 3.55Å; Y51-S70 VanDerWaalsContact CD1-CB 3.49Å; Y51-S70 VanDerWaalsContact CE1-CB 3.46Å; S70-S72 PolarHBondContact O-N 2.84Å; S70-S72 PolarHBondContact OG-N 2.93Å; S70-S72 PolarHBondContact OG-OG 3.24Å; S70-G73 PolarHBondContact O-N 2.86Å; S70-G73 PolarHBondContact OG-N 3.02Å; S70-S74 PolarHBondContact N-O 2.94Å; S70-S74 WeakPolarHBondContact OG-CB 3.44Å; S70-S74 PolarHBondContact OG-N 3.1Å; S70-S74 PolarHBondContact OG-O 3.13Å; S70-R89 PolarHBondContact O-NH1 3.33Å
71	Y	94.2	Very high	95.7	Very high	118 Å²	118	59.2 Å²	59.2	46%	0.463	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.8	172.6	66.6	-91.4	0	0	0	113.4	T48 D50 Y51 G73 R89	T48-Y71 VanDerWaalsContact C-CB 3.45Å; T48-Y71 WeakPolarHBondContact O-CB 3.46Å; D50-Y71 WeakPolarHBondContact O-CA 3.45Å; D50-Y71 WeakPolarHBondContact O-CB 3.3Å; D50-Y71 PolarHBondContact O-N 2.8Å; Y51-Y71 HydrophobicContact CE2-CD1 4.49Å; Y51-Y71 HydrophobicContact CE2-CE1 4.45Å; Y71-G73 VanDerWaalsContact C-N 3.3Å; Y71-R89 VanDerWaalsContact C-NH1 3.34Å; Y71-R89 VanDerWaalsContact CA-NH1 3.26Å; Y71-R89 VanDerWaalsContact O-CZ 3.26Å; Y71-R89 PolarHBondContact O-NH1 2.86Å; Y71-R89 PolarHBondContact O-NH2 2.75Å
72	S	94.8	Very high	96.1	Very high	76 Å²	76	60.3 Å²	60.3	53%	0.531	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.4	176.6	64.8	0	0	0	0	113.7	S70 S74	S70-S72 PolarHBondContact O-N 2.84Å; S70-S72 PolarHBondContact OG-N 2.93Å; S70-S72 PolarHBondContact OG-OG 3.24Å; S72-S74 PolarHBondContact OG-OG 2.95Å
73	G	95.8	Very high	96.3	Very high	35 Å²	35	59.3 Å²	59.3	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	86.7	2.8	-176.9	0	0	0	0	0	114.7	S70 Y71	S70-G73 PolarHBondContact O-N 2.86Å; S70-G73 PolarHBondContact OG-N 3.02Å; Y71-G73 VanDerWaalsContact C-N 3.3Å
74	S	96.5	Very high	96.3	Very high	68 Å²	68	56.2 Å²	56.2	48%	0.476	31%	0.307	S	S	.	.			trans	-72.1	133.5	176.5	-53.7	0	0	0	0	110.4	I69 S70 S72	I69-S74 CarbonylContact C-O 3.59Å; I69-S74 WeakPolarHBondContact CA-O 3.41Å; S70-S74 PolarHBondContact N-O 2.94Å; S70-S74 WeakPolarHBondContact OG-CB 3.44Å; S70-S74 PolarHBondContact OG-N 3.1Å; S70-S74 PolarHBondContact OG-O 3.13Å; S72-S74 PolarHBondContact OG-OG 2.95Å
75	T	97.6	Very high	96.4	Very high	57 Å²	57	55 Å²	55	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.1	-178	57.1	0	0	0	0	112.4	Y68 I69 Y77	Y68-T75 VanDerWaalsContact O-CA 3.26Å; Y68-T75 WeakPolarHBondContact O-CA 3.09Å; I69-T75 HydrophobicContact CB-CG2 4.17Å; I69-T75 HydrophobicContact CD1-CG2 4Å; I69-T75 HydrophobicContact CG1-CG2 4.02Å; T75-Y77 WeakPolarHBondContact CB-OH 3.34Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.48Å; T75-Y77 PolarHBondContact OG1-OH 2.59Å
76	Y	96.7	Very high	96.5	Very high	76 Å²	76	53.1 Å²	53.1	30%	0.298	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.8	165.8	175.9	-98.6	0	0	0	109.7	Y65 G67 Y68 R126	Y65-Y76 HydrophobicContact CE1-CD1 4.01Å; Y65-Y76 HydrophobicContact CE1-CE1 4.07Å; G67-Y76 CarbonylContact C-O 3.51Å; G67-Y76 WeakPolarHBondContact CA-O 3.27Å; Y68-Y76 HydrophobicContact CD1-CD1 4.24Å; Y68-Y76 HydrophobicContact CD1-CG 4.37Å; Y68-Y76 HydrophobicContact CE1-CD1 4.12Å; Y68-Y76 AromaticContact CE1-CG 3.93Å; Y68-Y76 HydrophobicContact CE1-CG 3.93Å; Y68-Y76 VanDerWaalsContact CZ-CB 3.49Å; Y68-Y76 PolarHBondContact N-O 2.99Å; Y68-Y76 PolarHBondContact O-N 3.06Å; Y76-R126 VanDerWaalsContact CZ-NH2 3.25Å; Y76-R126 PolarHBondContact OH-NH2 3.29Å
77	Y	97.2	Very high	96.5	Very high	45 Å²	45	53.3 Å²	53.3	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.6	-177	-56.8	-66.6	0	0	0	110.2	T75 K82 I85 I87	T75-Y77 WeakPolarHBondContact CB-OH 3.34Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.48Å; T75-Y77 PolarHBondContact OG1-OH 2.59Å; Y77-K82 HydrophobicContact CD2-CG 4.26Å; Y77-K82 HydrophobicContact CG-CG 4.46Å; Y77-I85 HydrophobicContact CD1-CD1 3.56Å; Y77-I85 HydrophobicContact CD1-CG1 3.58Å; Y77-I85 HydrophobicContact CE1-CD1 4.45Å; Y77-I85 HydrophobicContact CE1-CG1 4.18Å; Y77-I85 HydrophobicContact CG-CD1 4.22Å; Y77-I85 HydrophobicContact CG-CG1 4.21Å; Y77-I87 HydrophobicContact CD1-CD1 4.14Å; Y77-I87 HydrophobicContact CD1-CG1 4.47Å; Y77-I87 HydrophobicContact CE1-CB 4.13Å; Y77-I87 HydrophobicContact CE1-CD1 3.97Å; Y77-I87 HydrophobicContact CE1-CG1 3.89Å; Y77-I87 PolarHBondContact OH-N 2.82Å
78	N	96.1	Very high	96.6	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.144	32%	0.318	C	S	.	.			trans	-60.1	125.3	165.2	-180	-23.6	0	0	0	108.9	Y65 M66 S80 L81 K82	Y65-N78 VanDerWaalsContact O-CB 3.28Å; Y65-N78 WeakPolarHBondContact O-CB 3.32Å; Y65-N78 PolarHBondContact O-ND2 2.76Å; M66-N78 WeakPolarHBondContact O-CB 3.45Å; M66-N78 PolarHBondContact O-N 2.84Å; N78-S80 PolarHBondContact O-N 2.96Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact OD1-N 2.92Å; N78-L81 HydrophobicContact CB-CB 4.48Å; N78-L81 HydrophobicContact CB-CD1 4.45Å; N78-L81 PolarHBondContact O-N 2.85Å; N78-K82 PolarHBondContact O-N 3.37Å
79	P	96.6	Very high	96.6	Very high	97 Å²	97	56.1 Å²	56.1	63%	0.63	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.3	-179.5	-29.7	36	0	0	0	114.3	L81	P79-L81 PolarHBondContact O-N 2.95Å
80	S	94.7	Very high	96.6	Very high	92 Å²	92	57.5 Å²	57.5	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.3	-179.2	-54.6	0	0	0	0	113.9	N78	N78-S80 PolarHBondContact O-N 2.96Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact OD1-N 2.92Å
81	L	95.9	Very high	96.6	Very high	5 Å²	5	61 Å²	61	3%	0.026	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-11.5	-176.5	-62	175	0	0	0	113.1	M66 N78 P79 S83 R84 I85	M66-L81 HydrophobicContact CB-CD1 4.26Å; M66-L81 HydrophobicContact CE-CD1 4Å; M66-L81 HydrophobicContact CG-CD1 3.99Å; N78-L81 HydrophobicContact CB-CB 4.48Å; N78-L81 HydrophobicContact CB-CD1 4.45Å; N78-L81 PolarHBondContact O-N 2.85Å; P79-L81 PolarHBondContact O-N 2.95Å; L81-S83 PolarHBondContact O-N 3.45Å; L81-R84 PolarHBondContact O-N 3.43Å; L81-I85 HydrophobicContact CB-CD1 3.89Å; L81-I85 HydrophobicContact CB-CG1 4.27Å; L81-I85 HydrophobicContact CB-CG2 4.01Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 3.12Å; L81-I85 VanDerWaalsContact O-N 3.1Å
82	K	96.1	Very high	96.8	Very high	140 Å²	140	60.4 Å²	60.4	61%	0.609	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-32.4	-170.9	-175.9	176.9	179.4	-175.3	0	114.3	Y77 N78 R84	Y77-K82 HydrophobicContact CD2-CG 4.26Å; Y77-K82 HydrophobicContact CG-CG 4.46Å; N78-K82 PolarHBondContact O-N 3.37Å; K82-R84 VanDerWaalsContact C-N 3.31Å
83	S	97	Very high	96.9	Very high	111 Å²	111	62.6 Å²	62.6	78%	0.776	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.5	179.3	56.3	0	0	0	0	114.1	L81	L81-S83 PolarHBondContact O-N 3.45Å
84	R	96.4	Very high	97	Very high	49 Å²	49	62.7 Å²	62.7	19%	0.185	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-20.2	-173.5	-58.5	-166	-63.6	142.6	3.2	113.7	L81 K82 L100 N101 S102 D107	L81-R84 PolarHBondContact O-N 3.43Å; K82-R84 VanDerWaalsContact C-N 3.31Å; R84-L100 HydrophobicContact CB-CD1 3.92Å; R84-N101 PolarHBondContact O-N 2.99Å; R84-N101 PolarHBondContact O-ND2 2.83Å; R84-S102 PolarHBondContact NH1-O 3.23Å; R84-D107 IonicContact CZ-OD1 3.67Å; R84-D107 IonicContact CZ-OD2 3.57Å; R84-D107 IonicContact NH1-OD1 3.59Å; R84-D107 IonicContact NH1-OD2 2.72Å; R84-D107 PolarHBondContact NH1-OD2 3.03Å; R84-D107 IonicContact NH2-OD1 3.51Å; R84-D107 PolarHBondContact NH2-OD1 3.03Å; R84-D107 IonicContact NH2-OD2 3.1Å
85	I	97.4	Very high	97.1	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.1	-174.5	69.3	177.1	0	0	0	113.4	M66 Y77 L81 L98 Q99 L100	M66-I85 HydrophobicContact CB-CD1 4.38Å; M66-I85 HydrophobicContact CE-CG2 4.02Å; M66-I85 WeakPolarHBondContact O-CD1 3.09Å; Y77-I85 HydrophobicContact CD1-CD1 3.56Å; Y77-I85 HydrophobicContact CD1-CG1 3.58Å; Y77-I85 HydrophobicContact CE1-CD1 4.45Å; Y77-I85 HydrophobicContact CE1-CG1 4.18Å; Y77-I85 HydrophobicContact CG-CD1 4.22Å; Y77-I85 HydrophobicContact CG-CG1 4.21Å; L81-I85 HydrophobicContact CB-CD1 3.89Å; L81-I85 HydrophobicContact CB-CG1 4.27Å; L81-I85 HydrophobicContact CB-CG2 4.01Å; L81-I85 WeakPolarHBondContact O-CG1 3.43Å; L81-I85 PolarHBondContact O-N 3.12Å; L81-I85 VanDerWaalsContact O-N 3.1Å; I85-L98 HydrophobicContact CB-CD1 4.2Å; I85-L98 HydrophobicContact CG2-CD1 4.47Å; I85-Q99 CarbonylContact C-O 3.57Å; I85-Q99 VanDerWaalsContact CA-O 3.23Å; I85-Q99 WeakPolarHBondContact CA-O 3.14Å; I85-L100 HydrophobicContact CG2-CB 4.5Å; I85-L100 HydrophobicContact CG2-CD1 3.61Å
86	S	98.1	Very high	97.1	Very high	37 Å²	37	58.8 Å²	58.8	26%	0.259	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	168.6	-180	0	0	0	0	109	Q99	S86-Q99 PolarHBondContact N-O 3.2Å; S86-Q99 PolarHBondContact O-N 2.93Å
87	I	98.4	Very high	97.2	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.7	177.2	-59.9	167.3	0	0	0	107.8	I69 Y77 Y97 L98	I69-I87 HydrophobicContact CB-CG2 3.68Å; I69-I87 HydrophobicContact CG2-CG2 3.64Å; Y77-I87 HydrophobicContact CD1-CD1 4.14Å; Y77-I87 HydrophobicContact CD1-CG1 4.47Å; Y77-I87 HydrophobicContact CE1-CB 4.13Å; Y77-I87 HydrophobicContact CE1-CD1 3.97Å; Y77-I87 HydrophobicContact CE1-CG1 3.89Å; Y77-I87 PolarHBondContact OH-N 2.82Å; I87-Y97 VanDerWaalsContact CA-O 3.3Å; I87-Y97 WeakPolarHBondContact CA-O 3.4Å; I87-Y97 WeakPolarHBondContact CG2-O 3.32Å; I87-L98 HydrophobicContact CD1-CD1 4.39Å; I87-L98 HydrophobicContact CG1-CD1 3.72Å
88	T	98	Very high	97.3	Very high	61 Å²	61	55.3 Å²	55.3	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171.8	180	65.4	0	0	0	0	110.7	Y96 Y97	T88-Y96 CarbonylContact O-C 3.52Å; T88-Y96 VanDerWaalsContact O-CA 3.32Å; T88-Y96 WeakPolarHBondContact O-CA 3.41Å; T88-Y96 WeakPolarHBondContact O-CB 3.28Å; T88-Y97 PolarHBondContact N-O 2.81Å; T88-Y97 VanDerWaalsContact N-O 3.13Å; T88-Y97 PolarHBondContact O-N 2.83Å
89	R	97.7	Very high	97.3	Very high	58 Å²	58	57.9 Å²	57.9	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.5	-176.4	-173.3	-178.4	67.3	178.1	-6	111.6	I47 I69 S70 Y71 T91 Q95	I47-R89 HydrophobicContact CD1-CG 3.6Å; I47-R89 HydrophobicContact CG1-CG 4.09Å; I47-R89 HydrophobicContact CG2-CG 4.12Å; I47-R89 PolarHBondContact O-NH1 2.93Å; I69-R89 HydrophobicContact CD1-CB 3.84Å; S70-R89 PolarHBondContact O-NH1 3.33Å; Y71-R89 VanDerWaalsContact C-NH1 3.34Å; Y71-R89 VanDerWaalsContact CA-NH1 3.26Å; Y71-R89 VanDerWaalsContact O-CZ 3.26Å; Y71-R89 PolarHBondContact O-NH1 2.86Å; Y71-R89 PolarHBondContact O-NH2 2.75Å; R89-T91 HydrophobicContact CG-CG2 4.46Å; R89-Q95 WeakPolarHBondContact CA-O 3.44Å; R89-Q95 VanDerWaalsContact CG-O 3.27Å; R89-Q95 WeakPolarHBondContact CG-O 3.45Å
90	D	97.6	Very high	97.4	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104.1	169.4	-175.2	-18.3	0	0	0	108.8	S92 K93 N94 Q95 Y97	D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 2.79Å; D90-S92 WeakPolarHBondContact OD1-CB 3.48Å; D90-S92 PolarHBondContact OD1-N 2.91Å; D90-S92 PolarHBondContact OD1-OG 3.25Å; D90-K93 HydrophobicContact CB-CB 4.38Å; D90-K93 PolarHBondContact O-N 3.03Å; D90-K93 PolarHBondContact OD1-N 2.93Å; D90-K93 WeakPolarHBondContact OD2-CD 3.49Å; D90-K93 WeakPolarHBondContact OD2-CE 3.41Å; D90-K93 WeakPolarHBondContact OD2-CG 3.39Å; D90-K93 IonicContact OD2-NZ 2.73Å; D90-K93 PolarHBondContact OD2-NZ 3.33Å; D90-K93 VanDerWaalsContact OD2-NZ 3.14Å; D90-N94 PolarHBondContact O-N 3.29Å; D90-N94 VanDerWaalsContact O-N 3.12Å; D90-Q95 PolarHBondContact N-O 2.71Å; D90-Q95 PolarHBondContact O-N 3.04Å; D90-Y97 HydrophobicContact CB-CE2 3.71Å
91	T	96.8	Very high	97.5	Very high	78 Å²	78	51.7 Å²	51.7	48%	0.479	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.2	-178.6	54.6	0	0	0	0	112.4	I47 T48 R89 K93 N94	I47-T91 HydrophobicContact CG2-CG2 4.16Å; T48-T91 HydrophobicContact CG2-CG2 3.52Å; R89-T91 HydrophobicContact CG-CG2 4.46Å; T91-K93 VanDerWaalsContact C-N 3.29Å; T91-N94 PolarHBondContact O-N 3.33Å
92	S	97.1	Very high	97.4	Very high	104 Å²	104	54.9 Å²	54.9	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.1	178.5	74.4	0	0	0	0	112.1	D90	D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 2.79Å; D90-S92 WeakPolarHBondContact OD1-CB 3.48Å; D90-S92 PolarHBondContact OD1-N 2.91Å; D90-S92 PolarHBondContact OD1-OG 3.25Å
93	K	97.8	Very high	97.4	Very high	123 Å²	123	48.9 Å²	48.9	54%	0.535	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3	177.1	-61.9	-179.7	-168.5	150.6	0	113.8	D90 T91 Q95	D90-K93 HydrophobicContact CB-CB 4.38Å; D90-K93 PolarHBondContact O-N 3.03Å; D90-K93 PolarHBondContact OD1-N 2.93Å; D90-K93 WeakPolarHBondContact OD2-CD 3.49Å; D90-K93 WeakPolarHBondContact OD2-CE 3.41Å; D90-K93 WeakPolarHBondContact OD2-CG 3.39Å; D90-K93 IonicContact OD2-NZ 2.73Å; D90-K93 PolarHBondContact OD2-NZ 3.33Å; D90-K93 VanDerWaalsContact OD2-NZ 3.14Å; T91-K93 VanDerWaalsContact C-N 3.29Å; K93-Q95 VanDerWaalsContact C-N 3.25Å; K93-Q95 HydrophobicContact CB-CB 4.17Å; K93-Q95 HydrophobicContact CB-CG 4.17Å; K93-Q95 WeakPolarHBondContact O-CG 3.26Å; K93-Q95 PolarHBondContact O-N 2.85Å
94	N	97.3	Very high	97.3	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	42.9	-173.2	-152.6	35.3	0	0	0	112.7	V42 Y45 I47 D90 T91	V42-N94 PolarHBondContact N-O 3.32Å; V42-N94 PolarHBondContact O-ND2 3.46Å; Y45-N94 PolarHBondContact O-ND2 2.95Å; I47-N94 VanDerWaalsContact CB-OD1 3.31Å; I47-N94 WeakPolarHBondContact CB-OD1 3.18Å; I47-N94 WeakPolarHBondContact CG2-OD1 3.32Å; I47-N94 PolarHBondContact N-OD1 3.12Å; D90-N94 PolarHBondContact O-N 3.29Å; D90-N94 VanDerWaalsContact O-N 3.12Å; T91-N94 PolarHBondContact O-N 3.33Å
95	Q	98.5	Very high	97.1	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.201	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.6	-172.6	-80.5	169.9	-11.5	0	0	112	T39 C40 S41 I47 R89 D90 K93 Y97	T39-Q95 HydrophobicContact CG2-CB 4.39Å; T39-Q95 HydrophobicContact CG2-CG 4.12Å; C40-Q95 VanDerWaalsContact O-CA 3.22Å; C40-Q95 WeakPolarHBondContact O-CA 3.43Å; S41-Q95 PolarHBondContact OG-NE2 2.88Å; I47-Q95 WeakPolarHBondContact CD1-O 2.98Å; R89-Q95 WeakPolarHBondContact CA-O 3.44Å; R89-Q95 VanDerWaalsContact CG-O 3.27Å; R89-Q95 WeakPolarHBondContact CG-O 3.45Å; D90-Q95 PolarHBondContact N-O 2.71Å; D90-Q95 PolarHBondContact O-N 3.04Å; K93-Q95 VanDerWaalsContact C-N 3.25Å; K93-Q95 HydrophobicContact CB-CB 4.17Å; K93-Q95 HydrophobicContact CB-CG 4.17Å; K93-Q95 WeakPolarHBondContact O-CG 3.26Å; K93-Q95 PolarHBondContact O-N 2.85Å; Q95-Y97 HydrophobicContact CB-CE1 4.35Å; Q95-Y97 HydrophobicContact CB-CE2 4.35Å; Q95-Y97 PolarHBondContact OE1-OH 2.78Å; Q95-Y97 VanDerWaalsContact OE1-OH 3.09Å
96	Y	98.2	Very high	96.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.4	166.4	61.8	-69.5	0	0	0	111.4	C40 V42 I47 W52 W54 I69 T88 C113	C40-Y96 HydrophobicContact CB-CD1 3.6Å; C40-Y96 HydrophobicContact CB-CD2 4.2Å; C40-Y96 HydrophobicContact CB-CE1 3.28Å; C40-Y96 HydrophobicContact CB-CE2 3.89Å; C40-Y96 HydrophobicContact CB-CG 4.07Å; C40-Y96 VanDerWaalsContact CB-CZ 3.43Å; C40-Y96 PolarHBondContact N-O 2.98Å; C40-Y96 PolarHBondContact O-N 2.91Å; C40-Y96 WeakPolarHBondContact SG-CE1 3.23Å; C40-Y96 PolarHBondContact SG-OH 3.22Å; C40-Y96 VanDerWaalsContact SG-OH 3.33Å; V42-Y96 HydrophobicContact CG2-CD1 4.19Å; V42-Y96 HydrophobicContact CG2-CE1 3.93Å; I47-Y96 HydrophobicContact CD1-CD1 3.46Å; I47-Y96 VanDerWaalsContact CD1-CD1 3.46Å; I47-Y96 HydrophobicContact CD1-CE1 4.45Å; I47-Y96 HydrophobicContact CD1-CG 4.01Å; I47-Y96 HydrophobicContact CG1-CD1 4.39Å; W52-Y96 HydrophobicContact CB-CD1 3.96Å; W52-Y96 HydrophobicContact CB-CD2 3.85Å; W52-Y96 HydrophobicContact CB-CE1 3.79Å; W52-Y96 HydrophobicContact CB-CE2 3.72Å; W52-Y96 HydrophobicContact CB-CG 3.97Å; W52-Y96 HydrophobicContact CD2-CE1 4.15Å; W52-Y96 AromaticContact CE3-CE1 3.91Å; W52-Y96 HydrophobicContact CE3-CE1 3.91Å; W52-Y96 HydrophobicContact CG-CD1 4.2Å; W52-Y96 HydrophobicContact CG-CE1 4.11Å; W54-Y96 AromaticContact CD1-CD2 3.98Å; W54-Y96 AromaticContact CD1-CE2 3.87Å; W54-Y96 HydrophobicContact CD2-CE2 4.29Å; W54-Y96 AromaticContact CE2-CD2 3.87Å; W54-Y96 AromaticContact CE2-CE2 3.66Å; W54-Y96 HydrophobicContact CG-CE2 4.42Å; W54-Y96 HydrophobicContact CZ2-CD2 4.23Å; W54-Y96 HydrophobicContact CZ2-CE2 4.1Å; W54-Y96 AromaticContact NE1-CD2 3.26Å; W54-Y96 VanDerWaalsContact NE1-CD2 3.26Å; W54-Y96 AromaticContact NE1-CE2 3.38Å; I69-Y96 HydrophobicContact CG2-CD2 4.43Å; T88-Y96 CarbonylContact O-C 3.52Å; T88-Y96 VanDerWaalsContact O-CA 3.32Å; T88-Y96 WeakPolarHBondContact O-CA 3.41Å; T88-Y96 WeakPolarHBondContact O-CB 3.28Å; Y96-C113 WeakPolarHBondContact OH-CA 3.38Å; Y96-C113 WeakPolarHBondContact OH-CB 3.35Å; Y96-C113 PolarHBondContact OH-SG 2.92Å
97	Y	98.5	Very high	96.7	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.1	-166.8	-48.4	-85.3	0	0	0	110.8	L38 T39 I87 T88 D90 Q95	L38-Y97 CarbonylContact O-C 3.41Å; L38-Y97 WeakPolarHBondContact O-CA 3.39Å; T39-Y97 HydrophobicContact CG2-CD1 3.86Å; T39-Y97 HydrophobicContact CG2-CE1 3.56Å; T39-Y97 VanDerWaalsContact OG1-CD1 3.31Å; T39-Y97 WeakPolarHBondContact OG1-CD1 3.45Å; T39-Y97 WeakPolarHBondContact OG1-CE1 3.42Å; I87-Y97 VanDerWaalsContact CA-O 3.3Å; I87-Y97 WeakPolarHBondContact CA-O 3.4Å; I87-Y97 WeakPolarHBondContact CG2-O 3.32Å; T88-Y97 PolarHBondContact N-O 2.81Å; T88-Y97 VanDerWaalsContact N-O 3.13Å; T88-Y97 PolarHBondContact O-N 2.83Å; D90-Y97 HydrophobicContact CB-CE2 3.71Å; Q95-Y97 HydrophobicContact CB-CE1 4.35Å; Q95-Y97 HydrophobicContact CB-CE2 4.35Å; Q95-Y97 PolarHBondContact OE1-OH 2.78Å; Q95-Y97 VanDerWaalsContact OE1-OH 3.09Å
98	L	98.5	Very high	96.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.6	166.9	177.9	72.3	0	0	0	108.3	S37 L38 W54 M66 I85 I87 Y111	S37-L98 WeakPolarHBondContact CA-O 3.36Å; L38-L98 HydrophobicContact CB-CB 4.31Å; L38-L98 HydrophobicContact CD1-CD2 4.11Å; L38-L98 PolarHBondContact N-O 2.81Å; L38-L98 PolarHBondContact O-N 2.88Å; W54-L98 HydrophobicContact CB-CD2 4.29Å; W54-L98 HydrophobicContact CD2-CB 3.82Å; W54-L98 HydrophobicContact CD2-CD2 4.19Å; W54-L98 HydrophobicContact CE3-CD2 4.41Å; W54-L98 HydrophobicContact CG-CB 3.97Å; W54-L98 HydrophobicContact CG-CD1 4.36Å; W54-L98 HydrophobicContact CG-CD2 4.15Å; W54-L98 HydrophobicContact CG-CG 4.4Å; W54-L98 HydrophobicContact CZ2-CB 4.06Å; M66-L98 HydrophobicContact CE-CD2 3.75Å; M66-L98 HydrophobicContact SD-CD2 3.69Å; I85-L98 HydrophobicContact CB-CD1 4.2Å; I85-L98 HydrophobicContact CG2-CD1 4.47Å; I87-L98 HydrophobicContact CD1-CD1 4.39Å; I87-L98 HydrophobicContact CG1-CD1 3.72Å; L98-Y111 HydrophobicContact CD2-CD1 4.01Å; L98-Y111 HydrophobicContact CD2-CE1 4.27Å
99	Q	97.7	Very high	96.4	Very high	81 Å²	81	57.1 Å²	57.1	38%	0.379	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.6	165.5	-68.1	-177.5	-33.3	0	0	108.8	T35 L36 I85 S86	T35-Q99 HydrophobicContact CG2-CB 4.33Å; L36-Q99 CarbonylContact O-C 3.6Å; L36-Q99 WeakPolarHBondContact O-CA 3.45Å; I85-Q99 CarbonylContact C-O 3.57Å; I85-Q99 VanDerWaalsContact CA-O 3.23Å; I85-Q99 WeakPolarHBondContact CA-O 3.14Å; S86-Q99 PolarHBondContact N-O 3.2Å; S86-Q99 PolarHBondContact O-N 2.93Å
100	L	97.4	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.5	173.1	171.9	64.8	0	0	0	108.4	T35 L36 R84 I85 V103 D107	T35-L100 CarbonylContact C-O 3.52Å; T35-L100 WeakPolarHBondContact CA-O 3.49Å; L36-L100 HydrophobicContact CB-CB 4.33Å; L36-L100 HydrophobicContact CD2-CD2 4.48Å; L36-L100 PolarHBondContact N-O 2.71Å; L36-L100 PolarHBondContact O-N 3.28Å; R84-L100 HydrophobicContact CB-CD1 3.92Å; I85-L100 HydrophobicContact CG2-CB 4.5Å; I85-L100 HydrophobicContact CG2-CD1 3.61Å; L100-V103 HydrophobicContact CD2-CG2 4.31Å; L100-V103 HydrophobicContact CG-CG2 4.2Å; L100-D107 HydrophobicContact CD2-CB 3.85Å
101	N	96.2	Very high	96.3	Very high	59 Å²	59	57.5 Å²	57.5	32%	0.316	32%	0.321	S	S	.	.			trans	-87.1	153	-178.7	-63.2	-48.2	0	0	0	111.6	T35 R84 V103	T35-N101 WeakPolarHBondContact CG2-OD1 3.32Å; T35-N101 PolarHBondContact OG1-OD1 3.04Å; R84-N101 PolarHBondContact O-N 2.99Å; R84-N101 PolarHBondContact O-ND2 2.83Å; N101-V103 PolarHBondContact O-N 2.83Å
102	S	95.1	Very high	96.3	Very high	72 Å²	72	58.2 Å²	58.2	50%	0.503	32%	0.316	S	S	.	.	S	Bend	trans	52.6	54.8	176.5	-54.1	0	0	0	0	111.8	Q34 R84 T104	Q34-S102 PolarHBondContact O-N 2.84Å; R84-S102 PolarHBondContact NH1-O 3.23Å; S102-T104 PolarHBondContact O-N 3.12Å
103	V	95.3	Very high	96.3	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	29%	0.285	C	S	.	.			trans	-57.5	133.3	-179.4	173.9	0	0	0	0	110.1	P32 S33 Q34 L36 L100 N101 D107	P32-V103 CarbonylContact C-O 3.56Å; P32-V103 WeakPolarHBondContact CA-O 3.45Å; S33-V103 PolarHBondContact N-O 2.78Å; Q34-V103 VanDerWaalsContact O-CG2 3.27Å; Q34-V103 WeakPolarHBondContact O-CG2 3.35Å; Q34-V103 PolarHBondContact O-N 3.49Å; Q34-V103 VanDerWaalsContact O-N 3.07Å; L36-V103 HydrophobicContact CB-CG2 3.62Å; L100-V103 HydrophobicContact CD2-CG2 4.31Å; L100-V103 HydrophobicContact CG-CG2 4.2Å; N101-V103 PolarHBondContact O-N 2.83Å; V103-D107 HydrophobicContact CG1-CB 4.17Å
104	T	94.4	Very high	96.2	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.35	27%	0.269	S	S	.	.			trans	-116.6	174.5	174.6	71.5	0	0	0	0	110.9	S102 E106 D107	S102-T104 PolarHBondContact O-N 3.12Å; T104-E106 PolarHBondContact O-N 3.48Å; T104-E106 PolarHBondContact OG1-N 3.42Å; T104-D107 PolarHBondContact N-OD2 3.28Å; T104-D107 WeakPolarHBondContact O-CB 3.35Å; T104-D107 PolarHBondContact O-N 2.85Å; T104-D107 VanDerWaalsContact O-N 3.07Å; T104-D107 PolarHBondContact OG1-OD2 2.9Å
105	T	92.4	Very high	96	Very high	115 Å²	115	51.4 Å²	51.4	71%	0.706	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-60.3	-29.8	173.1	48.5	0	0	0	0	112.3	D107 T108	T105-D107 PolarHBondContact O-N 3.14Å; T105-T108 WeakPolarHBondContact O-CB 3.39Å; T105-T108 PolarHBondContact O-N 3.18Å; T105-T108 PolarHBondContact O-OG1 2.79Å
106	E	92.9	Very high	95.3	Very high	150 Å²	150	52.8 Å²	52.8	70%	0.701	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-66.3	-17.7	175.9	-59.6	-177.6	170.6	0	0	113	F58 T104 T108	F58-E106 WeakPolarHBondContact CE1-O 3.3Å; T104-E106 PolarHBondContact O-N 3.48Å; T104-E106 PolarHBondContact OG1-N 3.42Å; E106-T108 VanDerWaalsContact C-N 3.28Å
107	D	94.7	Very high	93.9	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.027	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-88.8	5.1	178.4	-60.1	-50.7	0	0	0	112.9	R56 R84 L100 V103 T104 T105 A109 Y111	R56-D107 IonicContact CZ-OD1 3.14Å; R56-D107 IonicContact NH1-OD1 3.88Å; R56-D107 PolarHBondContact NH1-OD1 3.21Å; R56-D107 IonicContact NH2-OD1 2.73Å; R84-D107 IonicContact CZ-OD1 3.67Å; R84-D107 IonicContact CZ-OD2 3.57Å; R84-D107 IonicContact NH1-OD1 3.59Å; R84-D107 IonicContact NH1-OD2 2.72Å; R84-D107 PolarHBondContact NH1-OD2 3.03Å; R84-D107 IonicContact NH2-OD1 3.51Å; R84-D107 PolarHBondContact NH2-OD1 3.03Å; R84-D107 IonicContact NH2-OD2 3.1Å; L100-D107 HydrophobicContact CD2-CB 3.85Å; V103-D107 HydrophobicContact CG1-CB 4.17Å; T104-D107 PolarHBondContact N-OD2 3.28Å; T104-D107 WeakPolarHBondContact O-CB 3.35Å; T104-D107 PolarHBondContact O-N 2.85Å; T104-D107 VanDerWaalsContact O-N 3.07Å; T104-D107 PolarHBondContact OG1-OD2 2.9Å; T105-D107 PolarHBondContact O-N 3.14Å; D107-A109 PolarHBondContact O-N 2.97Å; D107-Y111 PolarHBondContact O-OH 3.16Å
108	T	94.2	Very high	92	Very high	95 Å²	95	59.3 Å²	59.3	58%	0.583	32%	0.324	S	S	*	.			trans	-68.6	102.1	176	-53.3	0	0	0	0	110.1	T105 E106	T105-T108 WeakPolarHBondContact O-CB 3.39Å; T105-T108 PolarHBondContact O-N 3.18Å; T105-T108 PolarHBondContact O-OG1 2.79Å; E106-T108 VanDerWaalsContact C-N 3.28Å
109	A	95.5	Very high	89.6	Confident	24 Å²	24	68.8 Å²	68.8	20%	0.198	36%	0.359	C	S	.	.	S	Bend	trans	-156.3	164.6	-176.7	0	0	0	0	0	110.8	R56 K57 F58 D107 Y111	R56-A109 HydrophobicContact CB-CB 3.93Å; R56-A109 HydrophobicContact CG-CB 4.38Å; K57-A109 WeakPolarHBondContact O-CA 3.21Å; K57-A109 WeakPolarHBondContact O-CB 3.43Å; F58-A109 HydrophobicContact CD1-CB 3.92Å; F58-A109 HydrophobicContact CE1-CB 4.05Å; D107-A109 PolarHBondContact O-N 2.97Å; A109-Y111 HydrophobicContact CB-CE2 4.17Å; A109-Y111 VanDerWaalsContact O-CD2 3.3Å; A109-Y111 WeakPolarHBondContact O-CD2 3.31Å; A109-Y111 WeakPolarHBondContact O-CE2 3.47Å
110	T	95.9	Very high	87.2	Confident	76 Å²	76	68.8 Å²	68.8	47%	0.466	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	162.9	-50.6	0	0	0	0	108.9	R56 K57 Y112	R56-T110 CarbonylContact C-O 3.6Å; R56-T110 WeakPolarHBondContact CA-O 3.14Å; K57-T110 PolarHBondContact N-O 2.81Å; K57-T110 PolarHBondContact O-N 3.34Å; T110-Y112 HydrophobicContact CG2-CD2 4.38Å; T110-Y112 HydrophobicContact CG2-CE1 3.97Å; T110-Y112 HydrophobicContact CG2-CE2 3.64Å; T110-Y112 VanDerWaalsContact CG2-CZ 3.41Å; T110-Y112 WeakPolarHBondContact CG2-OH 3.06Å
111	Y	97.1	Very high	84.6	Confident	27 Å²	27	74.4 Å²	74.4	11%	0.106	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.1	-178	-67	-100.3	0	0	0	109.5	L36 L38 R56 M66 L98 D107 A109	L36-Y111 HydrophobicContact CD2-CD2 4.4Å; L36-Y111 HydrophobicContact CD2-CE1 4.47Å; L36-Y111 HydrophobicContact CD2-CE2 3.83Å; L38-Y111 HydrophobicContact CD1-CD1 3.59Å; L38-Y111 HydrophobicContact CD1-CD2 3.94Å; L38-Y111 HydrophobicContact CD1-CE1 4.39Å; L38-Y111 HydrophobicContact CD1-CG 3.33Å; R56-Y111 HydrophobicContact CB-CD1 3.81Å; R56-Y111 HydrophobicContact CB-CE1 3.86Å; R56-Y111 HydrophobicContact CB-CG 4.31Å; R56-Y111 HydrophobicContact CG-CE1 4.49Å; M66-Y111 HydrophobicContact CE-CD1 4.43Å; M66-Y111 HydrophobicContact CE-CE1 3.8Å; M66-Y111 HydrophobicContact SD-CD1 3.66Å; M66-Y111 HydrophobicContact SD-CE1 3.55Å; M66-Y111 VanDerWaalsContact SD-CE1 3.55Å; L98-Y111 HydrophobicContact CD2-CD1 4.01Å; L98-Y111 HydrophobicContact CD2-CE1 4.27Å; D107-Y111 PolarHBondContact O-OH 3.16Å; A109-Y111 HydrophobicContact CB-CE2 4.17Å; A109-Y111 VanDerWaalsContact O-CD2 3.3Å; A109-Y111 WeakPolarHBondContact O-CD2 3.31Å; A109-Y111 WeakPolarHBondContact O-CE2 3.47Å
112	Y	97.2	Very high	82.1	Confident	92 Å²	92	79.1 Å²	79.1	36%	0.361	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.3	-174.9	-65.8	-74.5	0	0	0	111.2	I55 K57 T110	I55-Y112 PolarHBondContact N-O 2.67Å; I55-Y112 PolarHBondContact O-N 2.83Å; K57-Y112 HydrophobicContact CB-CD2 4.17Å; K57-Y112 HydrophobicContact CB-CE2 3.7Å; K57-Y112 HydrophobicContact CD-CE2 4.1Å; T110-Y112 HydrophobicContact CG2-CD2 4.38Å; T110-Y112 HydrophobicContact CG2-CE1 3.97Å; T110-Y112 HydrophobicContact CG2-CE2 3.64Å; T110-Y112 VanDerWaalsContact CG2-CZ 3.41Å; T110-Y112 WeakPolarHBondContact CG2-OH 3.06Å
113	C	97.1	Very high	79.7	Confident	12 Å²	12	79.7 Å²	79.7	8%	0.081	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.1	165.6	-67.9	0	0	0	0	111	L22 E24 C40 Y96	L22-C113 HydrophobicContact CB-CB 3.94Å; L22-C113 HydrophobicContact CD1-CB 3.93Å; L22-C113 HydrophobicContact CG-CB 4.49Å; E24-C113 HydrophobicContact CG-CB 4.23Å; E24-C113 VanDerWaalsContact CG-SG 3.59Å; E24-C113 VanDerWaalsContact OE1-CB 3.28Å; E24-C113 WeakPolarHBondContact OE1-CB 3.49Å; E24-C113 PolarHBondContact OE1-N 2.84Å; C40-C113 HydrophobicContact CB-CB 4.22Å; C40-C113 WeakPolarHBondContact CB-SG 3.41Å; C40-C113 WeakPolarHBondContact SG-CB 3.2Å; C40-C113 CovalentContact SG-SG 2Å; C40-C113 PolarHBondContact SG-SG 3.22Å; Y96-C113 WeakPolarHBondContact OH-CA 3.38Å; Y96-C113 WeakPolarHBondContact OH-CB 3.35Å; Y96-C113 PolarHBondContact OH-SG 2.92Å
114	A	95.8	Very high	77.2	Confident	25 Å²	25	85.3 Å²	85.3	21%	0.207	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.3	169.4	0	0	0	0	0	111.8	N53 I55	N53-A114 HydrophobicContact CB-CB 4.22Å; N53-A114 WeakPolarHBondContact CB-O 3.43Å; N53-A114 PolarHBondContact N-O 2.8Å; N53-A114 PolarHBondContact ND2-O 3.19Å; N53-A114 PolarHBondContact O-N 3.4Å; I55-A114 HydrophobicContact CD1-CB 3.9Å
115	R	93.4	Very high	75.1	Confident	84 Å²	84	88.5 Å²	88.5	32%	0.317	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.4	165.2	-172.3	175.6	68.1	172.3	-3.3	109	D50 W52 T117	D50-R115 HydrophobicContact CB-CG 4.17Å; D50-R115 WeakPolarHBondContact OD2-CD 3.42Å; D50-R115 WeakPolarHBondContact OD2-CG 3.45Å; D50-R115 IonicContact OD2-NE 2.67Å; W52-R115 HydrophobicContact CE3-CB 4.28Å; W52-R115 HydrophobicContact CE3-CG 4.43Å; W52-R115 HydrophobicContact CH2-CB 4.46Å; W52-R115 HydrophobicContact CH2-CG 4.05Å; W52-R115 HydrophobicContact CZ3-CB 3.79Å; W52-R115 HydrophobicContact CZ3-CG 3.84Å; R115-T117 PolarHBondContact O-N 3.3Å; R115-T117 VanDerWaalsContact O-N 3.16Å
116	Y	83.3	Confident	73.3	Confident	73 Å²	73	90.5 Å²	90.5	29%	0.286	46%	0.457	S	S	.	.			trans	-66.6	115.4	170.4	-176.3	-96.9	0	0	0	109.5	Y51 N53 V118	Y51-Y116 HydrophobicContact CD2-CD1 4.3Å; Y51-Y116 HydrophobicContact CD2-CG 4.49Å; Y51-Y116 PolarHBondContact O-N 3.4Å; N53-Y116 PolarHBondContact ND2-N 2.88Å; Y116-V118 HydrophobicContact CE1-CG2 4.49Å
117	T	70	Confident	71	Confident	61 Å²	61	91.8 Å²	91.8	37%	0.374	46%	0.463	S	S	.	.			trans	-102.7	146.7	165.8	53.1	0	0	0	0	108	R115 W119	R115-T117 PolarHBondContact O-N 3.3Å; R115-T117 VanDerWaalsContact O-N 3.16Å; T117-W119 PolarHBondContact O-N 2.95Å
118	V	58	Low	68.2	Low	122 Å²	122	98.1 Å²	98.1	74%	0.739	49%	0.49	S	S	*	.			trans	-67.8	80.6	166.1	-173	0	0	0	0	106.7	Y116 S120	Y116-V118 HydrophobicContact CE1-CG2 4.49Å; V118-S120 PolarHBondContact O-N 2.75Å
119	W	47.3	Very low	65.5	Low	199 Å²	199	98 Å²	98	75%	0.754	49%	0.49	S	S	*	.			trans	-64	130	157	-130.7	-86.9	0	0	0	105.2	T117 L121	T117-W119 PolarHBondContact O-N 2.95Å; W119-L121 PolarHBondContact O-N 2.71Å
120	S	47.8	Very low	63.2	Low	81 Å²	81	102.5 Å²	102.5	57%	0.566	52%	0.518	S	S	*	.			trans	-39.1	121.5	167.4	46	0	0	0	0	108.2	V118 Q122	V118-S120 PolarHBondContact O-N 2.75Å; S120-Q122 PolarHBondContact O-N 2.71Å
121	L	42	Very low	60.8	Low	119 Å²	119	104.2 Å²	104.2	62%	0.623	53%	0.532	S	S	*	.	S	Bend	trans	-67.8	39.8	-165.5	-76.4	162.5	0	0	0	113.8	W119 R124	W119-L121 PolarHBondContact O-N 2.71Å; L121-R124 HydrophobicContact CD2-CB 4.46Å
122	Q	45	Very low	58.9	Low	157 Å²	157	108.1 Å²	108.1	73%	0.734	55%	0.553	S	S	*	*	S	Bend	trans	-88.4	-19.2	-172	-83.5	179.2	-37.5	0	0	115.6	S120	S120-Q122 PolarHBondContact O-N 2.71Å
123	C	43.8	Very low	56.9	Low	85 Å²	85	108.9 Å²	108.9	57%	0.574	56%	0.563	S	S	*	*	S	Bend	trans	-133.2	44	171.2	-62.1	0	0	0	0	112.3	C131	C123-C131 WeakPolarHBondContact CB-SG 3.18Å; C123-C131 WeakPolarHBondContact SG-CB 3.32Å; C123-C131 CovalentContact SG-SG 2.11Å; C123-C131 PolarHBondContact SG-SG 2.11Å
124	R	43.6	Very low	54.7	Low	133 Å²	133	114.3 Å²	114.3	50%	0.502	59%	0.59	S	S	.	*			trans	-74.3	128.8	168.2	-153.8	-175.7	-163.2	-159.6	7.9	109.2	L121 R126	L121-R124 HydrophobicContact CD2-CB 4.46Å; R124-R126 PolarHBondContact O-N 3.41Å
125	P	49.8	Very low	52.3	Low	124 Å²	124	119.6 Å²	119.6	81%	0.805	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	3.3	-176.5	-19.4	31.2	0	0	0	116.1
126	R	54.2	Low	49.7	Very low	157 Å²	157	121.8 Å²	121.8	59%	0.592	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-19	-179.4	-78.8	-155.5	-173.9	-176.7	4.4	114.9	Y76 R124	Y76-R126 VanDerWaalsContact CZ-NH2 3.25Å; Y76-R126 PolarHBondContact OH-NH2 3.29Å; R124-R126 PolarHBondContact O-N 3.41Å
127	H	44.9	Very low	47.5	Very low	177 Å²	177	125.1 Å²	125.1	82%	0.819	65%	0.654	S	S	*	*	S	Bend	trans	-155.4	90	166.9	-67.8	103.9	0	0	0	106.5	P129	H127-P129 WeakPolarHBondContact O-CD 3.32Å
128	K	36	Very low	45.9	Very low	137 Å²	137	129.6 Å²	129.6	60%	0.596	67%	0.674	S	S	*	*			trans	-84	114.3	177.3	-174.8	-177.4	-169.5	-154	0	108.8	C131	K128-C131 WeakPolarHBondContact CE-OXT 3.18Å; K128-C131 PolarHBondContact NZ-OXT 3.18Å
129	P	38.7	Very low	44.9	Very low	92 Å²	92	130.2 Å²	130.2	60%	0.597	67%	0.669	S	S	*	*			trans	-79.2	151.4	135.3	34.1	-27.6	0	0	0	108.5	H127 C131	H127-P129 WeakPolarHBondContact O-CD 3.32Å; P129-C131 PolarHBondContact O-N 3.02Å
130	P	45.8	Very low	44.7	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	66%	0.662	S	S	*	*			trans	-69	117.5	-166.7	26.7	-32	0	0	0	111.8
131	C	45.1	Very low	44.4	Very low	113 Å²	113	128.5 Å²	128.5	76%	0.764	67%	0.671	S	S	*	*				-62.9	0	119.5	26.3	0	0	0	0	106.8	C123 K128 P129	C123-C131 WeakPolarHBondContact CB-SG 3.18Å; C123-C131 WeakPolarHBondContact SG-CB 3.32Å; C123-C131 CovalentContact SG-SG 2.11Å; C123-C131 PolarHBondContact SG-SG 2.11Å; K128-C131 WeakPolarHBondContact CE-OXT 3.18Å; K128-C131 PolarHBondContact NZ-OXT 3.18Å; P129-C131 PolarHBondContact O-N 3.02Å

Retrieved 131 of 131 residues in 204.3 ms (Link to these results)

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