A0A075B5Q3_MOUSE Loading...

Immunoglobulin heavy variable 2-5

AlphaFold DB , UniProt , Accession A0A075B5Q3, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-5, Length 115 aa.

						>A0A075B5Q3_MOUSE|A0A075B5Q3|Ighv2-5
MAVLVLLLCLVTFPSVLSQVQLKQSGPGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWRGGSTDYNAAFMSRLSITKDNSKSQVFFKMNSLQADDTAIYYCAK
					

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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	71.8	Confident	74.7	Confident	204 Å²	204	112.7 Å²	112.7	100%	1.005	64%	0.64	S	S	*	*				0	-52.5	0	-80.8	170	63.6	0	0	113	V3 L4 V5	M1-V3 PolarHBondContact O-N 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.01Å; M1-V5 PolarHBondContact O-N 3.45Å; M1-V5 VanDerWaalsContact O-N 3.08Å
2	A	79.5	Confident	73.9	Confident	82 Å²	82	110.8 Å²	110.8	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-56.2	-41.5	-177.8	0	0	0	0	0	114.6	L4 V5 L6	A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.37Å; A2-V5 PolarHBondContact O-N 3.05Å; A2-L6 PolarHBondContact O-N 3.3Å
3	V	83.4	Confident	73.2	Confident	112 Å²	112	114.8 Å²	114.8	68%	0.679	64%	0.638	S	S	*	*	H	α-helix	trans	-64.1	-37.3	176.5	-176.7	0	0	0	0	112	M1 L6 L7	M1-V3 PolarHBondContact O-N 3.31Å; V3-L6 PolarHBondContact O-N 2.97Å; V3-L7 HydrophobicContact CG1-CD1 4.24Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.08Å
4	L	79.5	Confident	72.3	Confident	120 Å²	120	113.7 Å²	113.7	63%	0.628	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-40.1	178	-143.3	90.1	0	0	0	110.9	M1 A2 L7 L8	M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.01Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.37Å; L4-L7 PolarHBondContact O-N 3.25Å; L4-L8 WeakPolarHBondContact O-CB 3.35Å; L4-L8 WeakPolarHBondContact O-CD1 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å
5	V	79.7	Confident	71.9	Confident	86 Å²	86	112.3 Å²	112.3	52%	0.521	64%	0.64	S	S	.	*	H	α-helix	trans	-64.9	-41.1	174.6	178.1	0	0	0	0	111	M1 A2 L8 C9	M1-V5 PolarHBondContact O-N 3.45Å; M1-V5 VanDerWaalsContact O-N 3.08Å; A2-V5 PolarHBondContact O-N 3.05Å; V5-L8 PolarHBondContact O-N 3.4Å; V5-C9 PolarHBondContact O-N 2.9Å; V5-C9 PolarHBondContact O-SG 2.99Å; V5-C9 VanDerWaalsContact O-SG 3.37Å
6	L	74.8	Confident	71.7	Confident	121 Å²	121	113.4 Å²	113.4	63%	0.634	65%	0.649	S	S	*	*	H	α-helix	trans	-64.7	-41.2	177.8	-151.1	101.6	0	0	0	112.2	A2 V3 L8 C9 L10	A2-L6 PolarHBondContact O-N 3.3Å; V3-L6 PolarHBondContact O-N 2.97Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-C9 PolarHBondContact O-N 3.21Å; L6-L10 WeakPolarHBondContact O-CG 3.21Å; L6-L10 PolarHBondContact O-N 3.24Å
7	L	75.4	Confident	71.3	Confident	103 Å²	103	115.8 Å²	115.8	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-64.6	-37.6	173.8	-70.9	168.3	0	0	0	111.8	V3 L4 L10	V3-L7 HydrophobicContact CG1-CD1 4.24Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.08Å; L4-L7 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 3.39Å
8	L	70.4	Confident	71.3	Confident	104 Å²	104	114.3 Å²	114.3	55%	0.545	66%	0.656	S	S	.	*	H	α-helix	trans	-66.5	-36.4	173.8	-71.5	166.5	0	0	0	112.3	L4 V5 L6 L10 V11 T12	L4-L8 WeakPolarHBondContact O-CB 3.35Å; L4-L8 WeakPolarHBondContact O-CD1 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å; V5-L8 PolarHBondContact O-N 3.4Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.29Å; L8-V11 WeakPolarHBondContact O-CG2 3.34Å; L8-V11 PolarHBondContact O-N 3.37Å; L8-T12 WeakPolarHBondContact O-CG2 3.1Å
9	C	69.6	Low	72.2	Confident	72 Å²	72	115.6 Å²	115.6	49%	0.486	66%	0.656	S	S	.	*	H	α-helix	trans	-67.2	-30.6	175.5	-72.4	0	0	0	0	113.3	V5 L6 V11 T12	V5-C9 PolarHBondContact O-N 2.9Å; V5-C9 PolarHBondContact O-SG 2.99Å; V5-C9 VanDerWaalsContact O-SG 3.37Å; L6-C9 PolarHBondContact O-N 3.21Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-T12 PolarHBondContact O-OG1 2.94Å; C9-T12 VanDerWaalsContact O-OG1 3.07Å
10	L	66.7	Low	73.2	Confident	132 Å²	132	112.9 Å²	112.9	69%	0.691	64%	0.641	S	S	*	*	H	α-helix	trans	-72.4	-25.8	178.6	-71	168.2	0	0	0	112.7	L6 L7 L8	L6-L10 WeakPolarHBondContact O-CG 3.21Å; L6-L10 PolarHBondContact O-N 3.24Å; L7-L10 PolarHBondContact O-N 3.39Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.29Å
11	V	71.1	Confident	74.3	Confident	104 Å²	104	112.4 Å²	112.4	63%	0.63	63%	0.634	S	S	*	*	H	α-helix	trans	-87.6	-10.5	177.9	-64	0	0	0	0	113.9	L8 C9	L8-V11 WeakPolarHBondContact O-CG2 3.34Å; L8-V11 PolarHBondContact O-N 3.37Å; C9-V11 VanDerWaalsContact C-N 3.33Å
12	T	64.9	Low	75.5	Confident	89 Å²	89	105.4 Å²	105.4	55%	0.546	60%	0.6	S	S	.	*	S	Bend	trans	-92.1	3.7	-174.3	52.5	0	0	0	0	115.7	L8 C9 P14	L8-T12 WeakPolarHBondContact O-CG2 3.1Å; C9-T12 PolarHBondContact O-OG1 2.94Å; C9-T12 VanDerWaalsContact O-OG1 3.07Å; T12-P14 VanDerWaalsContact C-CD 3.48Å
13	F	64.8	Low	76.4	Confident	163 Å²	163	109 Å²	109	72%	0.715	60%	0.6	S	S	*	*			trans	-129.4	61	175	-65	-82.5	0	0	0	113.1	S15	F13-S15 PolarHBondContact O-N 3.01Å
14	P	61.1	Low	77.1	Confident	100 Å²	100	106.8 Å²	106.8	65%	0.649	58%	0.583	S	S	*	*			trans	-68.3	86.6	149.6	29.8	-26.3	0	0	0	106.3	T12 V16	T12-P14 VanDerWaalsContact C-CD 3.48Å; P14-V16 PolarHBondContact O-N 3.24Å
15	S	65.9	Low	77.9	Confident	93 Å²	93	104.1 Å²	104.1	65%	0.65	57%	0.574	S	S	*	*			trans	-58.8	89.7	162.4	-49.3	0	0	0	0	106.1	F13 L17	F13-S15 PolarHBondContact O-N 3.01Å; S15-L17 PolarHBondContact O-N 3.07Å
16	V	68	Low	78.7	Confident	129 Å²	129	102.4 Å²	102.4	78%	0.782	57%	0.574	S	S	*	*			trans	-67.8	90.9	174.4	176.1	0	0	0	0	105.8	P14 S18	P14-V16 PolarHBondContact O-N 3.24Å; V16-S18 PolarHBondContact O-N 3.46Å; V16-S18 VanDerWaalsContact O-N 3.13Å
17	L	64.8	Low	79.4	Confident	154 Å²	154	99.7 Å²	99.7	81%	0.806	56%	0.564	S	S	*	*			trans	-60.3	115.5	161.4	-65.1	177.3	0	0	0	105.2	S15 Q19	S15-L17 PolarHBondContact O-N 3.07Å; L17-Q19 PolarHBondContact O-N 2.74Å
18	S	72	Confident	80.1	Confident	90 Å²	90	98.6 Å²	98.6	63%	0.629	58%	0.578	S	S	*	*			trans	-57.3	108.5	175.4	-172.4	0	0	0	0	108.1	V16 V20 G44	V16-S18 PolarHBondContact O-N 3.46Å; V16-S18 VanDerWaalsContact O-N 3.13Å; S18-V20 PolarHBondContact O-N 2.87Å; S18-G44 WeakPolarHBondContact OG-CA 3.41Å
19	Q	88	Confident	81.1	Confident	139 Å²	139	102 Å²	102	65%	0.65	60%	0.595	S	S	*	*			trans	-73.6	128.8	-179.5	-169.3	-175.6	26.3	0	0	108.6	L17 Q21	L17-Q19 PolarHBondContact O-N 2.74Å; Q19-Q21 HydrophobicContact CG-CG 4.48Å; Q19-Q21 PolarHBondContact O-N 2.91Å
20	V	92.9	Very high	82.3	Confident	60 Å²	60	100.4 Å²	100.4	36%	0.364	58%	0.583	S	S	.	*			trans	-68.9	127.6	170.8	170.6	0	0	0	0	109	S18 L22 S43 F45 K115	S18-V20 PolarHBondContact O-N 2.87Å; V20-L22 HydrophobicContact CG1-CD1 3.78Å; V20-S43 WeakPolarHBondContact CA-O 3.37Å; V20-F45 HydrophobicContact CG1-CD1 3.72Å; V20-F45 HydrophobicContact CG1-CE1 3.78Å; V20-F45 HydrophobicContact CG2-CD1 4.23Å; V20-K115 HydrophobicContact CG1-CD 4.25Å
21	Q	95.6	Very high	83.5	Confident	103 Å²	103	100.5 Å²	100.5	48%	0.481	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.9	140.3	175.9	-52.6	-179.1	-14.5	0	0	110.8	Q19 V42 S43	Q19-Q21 HydrophobicContact CG-CG 4.48Å; Q19-Q21 PolarHBondContact O-N 2.91Å; Q21-V42 CarbonylContact O-C 3.51Å; Q21-V42 WeakPolarHBondContact O-CA 3.5Å; Q21-S43 WeakPolarHBondContact CB-OG 3.34Å; Q21-S43 PolarHBondContact N-O 3.4Å; Q21-S43 PolarHBondContact O-N 3.5Å
22	L	97.6	Very high	84.5	Confident	57 Å²	57	99.4 Å²	99.4	30%	0.298	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.3	113.3	174.2	-68.8	87.6	0	0	0	107.5	V20 V42 F45 C113	V20-L22 HydrophobicContact CG1-CD1 3.78Å; L22-V42 HydrophobicContact CG-CG1 4.35Å; L22-F45 HydrophobicContact CD1-CE1 4.36Å; L22-C113 HydrophobicContact CD2-CB 4.23Å; L22-C113 WeakPolarHBondContact CD2-O 3.29Å
23	K	97.7	Very high	85.9	Confident	157 Å²	157	100.1 Å²	100.1	68%	0.683	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.2	117.5	-179.3	-177.4	178	179.4	179	0	109.6	C40 T41	K23-C40 WeakPolarHBondContact O-CA 3.04Å; K23-T41 PolarHBondContact N-O 2.92Å; K23-T41 PolarHBondContact O-N 3.13Å
24	Q	97.9	Very high	87.4	Confident	67 Å²	67	96.8 Å²	96.8	31%	0.313	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.4	141.6	178.6	-69.1	174.6	-117.9	0	0	111.8	I38 T39 C40 Y111 Y112 C113	Q24-I38 HydrophobicContact CB-CG2 4.33Å; Q24-T39 CarbonylContact C-O 3.54Å; Q24-T39 VanDerWaalsContact CA-O 3.31Å; Q24-T39 WeakPolarHBondContact CA-O 3.42Å; Q24-C40 HydrophobicContact CG-CB 4.49Å; Q24-Y111 PolarHBondContact NE2-O 3.3Å; Q24-Y112 VanDerWaalsContact OE1-CA 3.27Å; Q24-C113 WeakPolarHBondContact CG-SG 3.39Å; Q24-C113 VanDerWaalsContact OE1-N 3.09Å
25	S	97.6	Very high	89	Confident	63 Å²	63	94.5 Å²	94.5	44%	0.441	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141	137.5	172.7	57	0	0	0	0	109.7	T39	S25-T39 PolarHBondContact N-O 2.79Å; S25-T39 PolarHBondContact O-N 3.06Å
26	G	95.4	Very high	90.5	Very high	51 Å²	51	90.7 Å²	90.7	53%	0.526	53%	0.529	S	S	.	.	S	Bend	trans	179.2	-177.3	-178.1	0	0	0	0	0	110.4
27	P	90.8	Very high	91.9	Very high	63 Å²	63	87.4 Å²	87.4	41%	0.409	51%	0.512	S	S	.	.			trans	-66.4	139	172	31.2	-34.1	0	0	0	109.6	V30 L36 S37	P27-V30 HydrophobicContact CB-CG2 3.6Å; P27-V30 HydrophobicContact CG-CG2 3.33Å; P27-L36 HydrophobicContact CG-CD1 3.76Å; P27-S37 WeakPolarHBondContact CD-O 3.36Å
28	G	90	Very high	93.5	Very high	81 Å²	81	80.9 Å²	80.9	84%	0.835	48%	0.478	S	S	*	.	S	Bend	trans	-72.3	-47.9	-179.6	0	0	0	0	0	113
29	L	91	Very high	94.8	Very high	174 Å²	174	78 Å²	78	91%	0.911	46%	0.457	S	S	*	.			trans	-129.9	134.5	176.3	-71	169	0	0	0	108.7
30	V	93.7	Very high	95.3	Very high	40 Å²	40	71.4 Å²	71.4	24%	0.242	43%	0.426	C	S	.	.			trans	-129	136.6	179.9	-174.5	0	0	0	0	107.8	P27 Q34 L36 L103	P27-V30 HydrophobicContact CB-CG2 3.6Å; P27-V30 HydrophobicContact CG-CG2 3.33Å; V30-Q34 HydrophobicContact CG1-CB 3.63Å; V30-L36 HydrophobicContact CG2-CD1 4.01Å; V30-L103 HydrophobicContact CB-CD1 3.77Å; V30-L103 HydrophobicContact CG1-CD1 3.41Å; V30-L103 VanDerWaalsContact CG1-CD1 3.41Å
31	Q	92.3	Very high	95.5	Very high	134 Å²	134	71 Å²	71	63%	0.626	42%	0.423	S	S	*	.			trans	-75.5	155.7	-179.5	-67.6	-179	-11.2	0	0	111	Q34	Q31-Q34 HydrophobicContact CB-CG 4.32Å; Q31-Q34 VanDerWaalsContact N-OE1 3.11Å; Q31-Q34 WeakPolarHBondContact O-CB 3.43Å; Q31-Q34 PolarHBondContact O-N 2.79Å
32	P	92.7	Very high	95.6	Very high	80 Å²	80	66.2 Å²	66.2	52%	0.519	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	154.3	168.4	-26	35.2	0	0	0	112.3	Q34	P32-Q34 PolarHBondContact O-N 3.36Å
33	S	93.9	Very high	95.6	Very high	105 Å²	105	66 Å²	66	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-10.1	-175.9	-49.4	0	0	0	0	116.1	L103	S33-L103 PolarHBondContact N-O 2.86Å
34	Q	95.7	Very high	95.4	Very high	92 Å²	92	60.1 Å²	60.1	43%	0.43	39%	0.388	S	S	.	.	S	Bend	trans	-82.9	178.7	171.4	-58.8	-177.8	-26.8	0	0	111.3	V30 Q31 P32 S102 L103	V30-Q34 HydrophobicContact CG1-CB 3.63Å; Q31-Q34 HydrophobicContact CB-CG 4.32Å; Q31-Q34 VanDerWaalsContact N-OE1 3.11Å; Q31-Q34 WeakPolarHBondContact O-CB 3.43Å; Q31-Q34 PolarHBondContact O-N 2.79Å; P32-Q34 PolarHBondContact O-N 3.36Å; Q34-S102 PolarHBondContact O-N 3.04Å; Q34-L103 WeakPolarHBondContact O-CG 3.23Å; Q34-L103 PolarHBondContact O-N 3.29Å
35	S	96.3	Very high	95.2	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	38%	0.379	S	S	.	.			trans	-106.1	134.3	174	-61.4	0	0	0	0	111.2	M100 N101	S35-M100 CarbonylContact C-O 3.56Å; S35-M100 VanDerWaalsContact CA-O 3.23Å; S35-M100 WeakPolarHBondContact CA-O 3.44Å; S35-N101 PolarHBondContact OG-OD1 2.77Å
36	L	96.7	Very high	95.1	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.5	169.3	174.7	60.9	0	0	0	109.4	P27 V30 I38 F98 K99 M100 L103 Y111	P27-L36 HydrophobicContact CG-CD1 3.76Å; V30-L36 HydrophobicContact CG2-CD1 4.01Å; L36-I38 HydrophobicContact CD1-CD1 4.08Å; L36-I38 HydrophobicContact CD1-CG1 3.8Å; L36-I38 HydrophobicContact CD2-CD1 3.89Å; L36-I38 HydrophobicContact CD2-CG1 4.37Å; L36-I38 HydrophobicContact CG-CD1 4.05Å; L36-I38 HydrophobicContact CG-CG1 3.96Å; L36-F98 HydrophobicContact CD2-CE1 4.25Å; L36-K99 CarbonylContact O-C 3.57Å; L36-K99 VanDerWaalsContact O-CA 3.25Å; L36-K99 WeakPolarHBondContact O-CA 3.4Å; L36-M100 HydrophobicContact CB-CB 4.37Å; L36-M100 PolarHBondContact N-O 2.8Å; L36-M100 PolarHBondContact O-N 3.38Å; L36-L103 HydrophobicContact CB-CD1 3.95Å; L36-L103 HydrophobicContact CB-CD2 4.03Å; L36-L103 HydrophobicContact CB-CG 4.36Å; L36-Y111 HydrophobicContact CD2-CD1 4.31Å; L36-Y111 HydrophobicContact CD2-CD2 3.82Å; L36-Y111 HydrophobicContact CD2-CE1 4.17Å; L36-Y111 HydrophobicContact CD2-CE2 3.7Å; L36-Y111 HydrophobicContact CD2-CG 4.14Å
37	S	97.7	Very high	95.3	Very high	61 Å²	61	55.3 Å²	55.3	43%	0.427	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.6	173	-63.8	0	0	0	0	109.9	P27 F98	P27-S37 WeakPolarHBondContact CD-O 3.36Å; S37-F98 CarbonylContact C-O 3.56Å; S37-F98 WeakPolarHBondContact CA-O 3.19Å
38	I	98.1	Very high	95.6	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.082	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.1	179	-55.1	171.3	0	0	0	108.4	Q24 L36 W54 F98 Y111	Q24-I38 HydrophobicContact CB-CG2 4.33Å; L36-I38 HydrophobicContact CD1-CD1 4.08Å; L36-I38 HydrophobicContact CD1-CG1 3.8Å; L36-I38 HydrophobicContact CD2-CD1 3.89Å; L36-I38 HydrophobicContact CD2-CG1 4.37Å; L36-I38 HydrophobicContact CG-CD1 4.05Å; L36-I38 HydrophobicContact CG-CG1 3.96Å; I38-W54 HydrophobicContact CB-CH2 4.01Å; I38-W54 HydrophobicContact CB-CZ3 4.13Å; I38-W54 HydrophobicContact CG2-CH2 3.64Å; I38-W54 HydrophobicContact CG2-CZ3 3.77Å; I38-F98 HydrophobicContact CB-CD1 4.48Å; I38-F98 HydrophobicContact CD1-CD1 4.28Å; I38-F98 HydrophobicContact CG1-CD1 4.5Å; I38-F98 PolarHBondContact N-O 2.78Å; I38-F98 PolarHBondContact O-N 3.45Å; I38-Y111 VanDerWaalsContact CD1-CB 3.47Å; I38-Y111 HydrophobicContact CD1-CG 3.98Å
39	T	98.6	Very high	95.8	Very high	31 Å²	31	55.1 Å²	55.1	19%	0.19	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.2	170	-56.2	0	0	0	0	109	Q24 S25 Q95 V96 F97	Q24-T39 CarbonylContact C-O 3.54Å; Q24-T39 VanDerWaalsContact CA-O 3.31Å; Q24-T39 WeakPolarHBondContact CA-O 3.42Å; S25-T39 PolarHBondContact N-O 2.79Å; S25-T39 PolarHBondContact O-N 3.06Å; T39-Q95 HydrophobicContact CG2-CB 4.12Å; T39-Q95 HydrophobicContact CG2-CG 3.86Å; T39-V96 CarbonylContact C-O 3.58Å; T39-F97 HydrophobicContact CG2-CD1 3.87Å; T39-F97 HydrophobicContact CG2-CE1 3.61Å; T39-F97 WeakPolarHBondContact OG1-CD1 3.46Å
40	C	98.5	Very high	96.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.8	170.7	-179	0	0	0	0	108.9	K23 Q24 W54 Q95 V96 C113	K23-C40 WeakPolarHBondContact O-CA 3.04Å; Q24-C40 HydrophobicContact CG-CB 4.49Å; C40-W54 HydrophobicContact CB-CH2 3.64Å; C40-W54 HydrophobicContact CB-CZ2 3.66Å; C40-Q95 CarbonylContact O-C 3.43Å; C40-Q95 WeakPolarHBondContact O-CA 3.38Å; C40-V96 HydrophobicContact CB-CB 4.44Å; C40-V96 PolarHBondContact N-O 2.98Å; C40-V96 PolarHBondContact O-N 3.3Å; C40-C113 HydrophobicContact CB-CB 3.51Å; C40-C113 WeakPolarHBondContact CB-SG 3.48Å; C40-C113 WeakPolarHBondContact SG-CB 3.21Å; C40-C113 CovalentContact SG-SG 2.03Å; C40-C113 PolarHBondContact SG-SG 2.6Å
41	T	98.4	Very high	96.3	Very high	50 Å²	50	50.9 Å²	50.9	31%	0.307	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.3	172.8	-54.3	0	0	0	0	108.9	K23 S94 Q95	K23-T41 PolarHBondContact N-O 2.92Å; K23-T41 PolarHBondContact O-N 3.13Å; T41-S94 CarbonylContact C-O 3.56Å; T41-S94 WeakPolarHBondContact CA-O 3.34Å; T41-Q95 HydrophobicContact CG2-CG 4.31Å
42	V	97.8	Very high	96.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.9	-177.5	-54.7	0	0	0	0	111.5	Q21 L22 F45 L47 V52 S94	Q21-V42 CarbonylContact O-C 3.51Å; Q21-V42 WeakPolarHBondContact O-CA 3.5Å; L22-V42 HydrophobicContact CG-CG1 4.35Å; V42-F45 HydrophobicContact CB-CD1 4.47Å; V42-F45 HydrophobicContact CB-CE1 3.65Å; V42-F45 HydrophobicContact CB-CE2 4.26Å; V42-F45 HydrophobicContact CB-CZ 3.54Å; V42-F45 HydrophobicContact CG1-CE1 4.07Å; V42-F45 HydrophobicContact CG1-CE2 4.41Å; V42-F45 HydrophobicContact CG1-CZ 3.58Å; V42-F45 HydrophobicContact CG2-CE1 4.32Å; V42-F45 HydrophobicContact CG2-CE2 4.17Å; V42-F45 HydrophobicContact CG2-CZ 3.96Å; V42-L47 HydrophobicContact CG1-CD2 4.33Å; V42-L47 HydrophobicContact CG2-CD1 4.15Å; V42-L47 HydrophobicContact CG2-CD2 3.67Å; V42-L47 HydrophobicContact CG2-CG 3.69Å; V42-V52 HydrophobicContact CG1-CG2 4.26Å; V42-S94 PolarHBondContact N-O 2.87Å; V42-S94 VanDerWaalsContact O-CB 3.31Å; V42-S94 WeakPolarHBondContact O-CB 3.25Å
43	S	96	Very high	96.9	Very high	51 Å²	51	43 Å²	43	36%	0.357	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	164.4	169.9	65.9	0	0	0	0	110.7	V20 Q21 F45	V20-S43 WeakPolarHBondContact CA-O 3.37Å; Q21-S43 WeakPolarHBondContact CB-OG 3.34Å; Q21-S43 PolarHBondContact N-O 3.4Å; Q21-S43 PolarHBondContact O-N 3.5Å; S43-F45 WeakPolarHBondContact O-CD1 3.31Å; S43-F45 PolarHBondContact O-N 3.44Å
44	G	94.5	Very high	97.1	Very high	34 Å²	34	38 Å²	38	35%	0.351	23%	0.227	S	C	.	.	S	Bend	trans	77.1	-0.6	-172	0	0	0	0	0	114.7	S18	S18-G44 WeakPolarHBondContact OG-CA 3.41Å
45	F	94.1	Very high	97.2	Very high	25 Å²	25	34.8 Å²	34.8	11%	0.11	22%	0.215	C	C	.	.	S	Bend	trans	-156.1	166	170.3	70.2	-81.5	0	0	0	111.6	V20 L22 V42 S43 L47 Y50 V52 K115	V20-F45 HydrophobicContact CG1-CD1 3.72Å; V20-F45 HydrophobicContact CG1-CE1 3.78Å; V20-F45 HydrophobicContact CG2-CD1 4.23Å; L22-F45 HydrophobicContact CD1-CE1 4.36Å; V42-F45 HydrophobicContact CB-CD1 4.47Å; V42-F45 HydrophobicContact CB-CE1 3.65Å; V42-F45 HydrophobicContact CB-CE2 4.26Å; V42-F45 HydrophobicContact CB-CZ 3.54Å; V42-F45 HydrophobicContact CG1-CE1 4.07Å; V42-F45 HydrophobicContact CG1-CE2 4.41Å; V42-F45 HydrophobicContact CG1-CZ 3.58Å; V42-F45 HydrophobicContact CG2-CE1 4.32Å; V42-F45 HydrophobicContact CG2-CE2 4.17Å; V42-F45 HydrophobicContact CG2-CZ 3.96Å; S43-F45 WeakPolarHBondContact O-CD1 3.31Å; S43-F45 PolarHBondContact O-N 3.44Å; F45-L47 HydrophobicContact CE2-CD2 4.19Å; F45-Y50 HydrophobicContact CB-CD2 3.96Å; F45-Y50 HydrophobicContact CB-CE2 4.23Å; F45-Y50 AromaticContact CD2-CD2 3.84Å; F45-Y50 HydrophobicContact CD2-CD2 3.84Å; F45-Y50 HydrophobicContact CD2-CG 4.15Å; F45-Y50 HydrophobicContact CG-CD2 4.29Å; F45-V52 HydrophobicContact CE2-CG2 4.29Å; F45-V52 HydrophobicContact CZ-CG2 4.26Å; F45-K115 HydrophobicContact CD1-CD 3.78Å; F45-K115 HydrophobicContact CD2-CD 4.06Å; F45-K115 HydrophobicContact CD2-CG 4.33Å; F45-K115 HydrophobicContact CE1-CB 4.18Å; F45-K115 HydrophobicContact CE1-CD 3.82Å; F45-K115 HydrophobicContact CE1-CG 4.15Å; F45-K115 HydrophobicContact CE2-CB 4.5Å; F45-K115 HydrophobicContact CE2-CD 4.11Å; F45-K115 HydrophobicContact CE2-CG 3.94Å; F45-K115 HydrophobicContact CG-CD 3.87Å; F45-K115 HydrophobicContact CZ-CB 3.92Å; F45-K115 HydrophobicContact CZ-CD 3.97Å; F45-K115 HydrophobicContact CZ-CG 3.82Å
46	S	95.8	Very high	97.2	Very high	51 Å²	51	32.9 Å²	32.9	36%	0.357	20%	0.199	S	C	.	.			trans	-101.3	137.4	176.6	179.9	0	0	0	0	112.7	T48 S49 Y50	S46-T48 PolarHBondContact O-N 3.06Å; S46-T48 PolarHBondContact OG-N 2.85Å; S46-T48 VanDerWaalsContact OG-N 3.14Å; S46-T48 PolarHBondContact OG-OG1 2.77Å; S46-S49 PolarHBondContact O-N 2.99Å; S46-Y50 PolarHBondContact O-N 2.83Å; S46-Y50 VanDerWaalsContact O-N 3.12Å
47	L	97.7	Very high	97.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.7	171.4	-66.1	178.2	0	0	0	113.9	V42 F45 V52 K89 N91 V96	V42-L47 HydrophobicContact CG1-CD2 4.33Å; V42-L47 HydrophobicContact CG2-CD1 4.15Å; V42-L47 HydrophobicContact CG2-CD2 3.67Å; V42-L47 HydrophobicContact CG2-CG 3.69Å; F45-L47 HydrophobicContact CE2-CD2 4.19Å; L47-V52 HydrophobicContact CD2-CG2 3.55Å; L47-K89 HydrophobicContact CD1-CB 4.43Å; L47-K89 PolarHBondContact O-NZ 2.89Å; L47-N91 WeakPolarHBondContact CB-OD1 3.23Å; L47-V96 HydrophobicContact CD1-CG2 3.88Å; L47-V96 HydrophobicContact CD2-CG2 3.64Å; L47-V96 HydrophobicContact CG-CG2 4.45Å
48	T	97.1	Very high	97.2	Very high	74 Å²	74	33.5 Å²	33.5	45%	0.454	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.3	169.9	61	0	0	0	0	112.6	S46 N91	S46-T48 PolarHBondContact O-N 3.06Å; S46-T48 PolarHBondContact OG-N 2.85Å; S46-T48 VanDerWaalsContact OG-N 3.14Å; S46-T48 PolarHBondContact OG-OG1 2.77Å; T48-N91 HydrophobicContact CG2-CB 4.41Å
49	S	96.1	Very high	97.1	Very high	66 Å²	66	37.8 Å²	37.8	46%	0.462	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-29.4	-179.2	-55.9	0	0	0	0	112.8	S46 R71	S46-S49 PolarHBondContact O-N 2.99Å; S49-R71 WeakPolarHBondContact O-CD 3.42Å
50	Y	96.4	Very high	97	Very high	116 Å²	116	40.7 Å²	40.7	46%	0.455	26%	0.262	S	S	.	.			trans	-129.8	153.5	-176.4	-62.9	-85.9	0	0	0	112.1	F45 S46 K115	F45-Y50 HydrophobicContact CB-CD2 3.96Å; F45-Y50 HydrophobicContact CB-CE2 4.23Å; F45-Y50 AromaticContact CD2-CD2 3.84Å; F45-Y50 HydrophobicContact CD2-CD2 3.84Å; F45-Y50 HydrophobicContact CD2-CG 4.15Å; F45-Y50 HydrophobicContact CG-CD2 4.29Å; S46-Y50 PolarHBondContact O-N 2.83Å; S46-Y50 VanDerWaalsContact O-N 3.12Å; Y50-K115 HydrophobicContact CG-CD 4.47Å; Y50-K115 HydrophobicContact CG-CG 4.5Å
51	G	97.6	Very high	96.9	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	29%	0.293	C	S	.	.			trans	-83.6	169.1	166.3	0	0	0	0	0	111.7	I69	G51-I69 CarbonylContact C-O 3.57Å; G51-I69 WeakPolarHBondContact CA-O 3.49Å
52	V	98.6	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122	172	176.7	0	0	0	0	108.7	V42 F45 L47 V68 I69 V96 C113 A114	V42-V52 HydrophobicContact CG1-CG2 4.26Å; F45-V52 HydrophobicContact CE2-CG2 4.29Å; F45-V52 HydrophobicContact CZ-CG2 4.26Å; L47-V52 HydrophobicContact CD2-CG2 3.55Å; V52-V68 WeakPolarHBondContact O-CA 3.39Å; V52-I69 PolarHBondContact N-O 2.78Å; V52-I69 PolarHBondContact O-N 3.33Å; V52-I69 VanDerWaalsContact O-N 3.08Å; V52-V96 HydrophobicContact CB-CB 4.46Å; V52-V96 HydrophobicContact CB-CG1 4.32Å; V52-V96 HydrophobicContact CB-CG2 3.92Å; V52-V96 HydrophobicContact CG1-CB 4.36Å; V52-V96 HydrophobicContact CG1-CG1 4.29Å; V52-V96 HydrophobicContact CG1-CG2 4.26Å; V52-V96 HydrophobicContact CG2-CG2 3.8Å; V52-C113 HydrophobicContact CG1-CB 3.95Å; V52-A114 CarbonylContact C-O 3.59Å; V52-A114 WeakPolarHBondContact CA-O 3.41Å
53	H	98.5	Very high	96.7	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.218	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	150.4	177.6	-64.2	-103.8	0	0	0	110.2	W65 G67 C113 A114	H53-W65 AromaticContact ND1-CD1 3.99Å; H53-W65 AromaticContact ND1-NE1 3.26Å; H53-W65 PolarHBondContact ND1-NE1 2.81Å; H53-G67 CarbonylContact C-O 3.55Å; H53-G67 WeakPolarHBondContact CA-O 3.48Å; H53-C113 CarbonylContact O-C 3.52Å; H53-C113 WeakPolarHBondContact O-CA 3.06Å; H53-A114 HydrophobicContact CB-CB 4.4Å; H53-A114 PolarHBondContact N-O 3.42Å; H53-A114 PolarHBondContact O-N 2.94Å
54	W	98.5	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.8	168.1	-71.2	93.2	0	0	0	109.2	I38 C40 L66 G67 V96 F98 Y112 C113	I38-W54 HydrophobicContact CB-CH2 4.01Å; I38-W54 HydrophobicContact CB-CZ3 4.13Å; I38-W54 HydrophobicContact CG2-CH2 3.64Å; I38-W54 HydrophobicContact CG2-CZ3 3.77Å; C40-W54 HydrophobicContact CB-CH2 3.64Å; C40-W54 HydrophobicContact CB-CZ2 3.66Å; W54-L66 HydrophobicContact CB-CB 4.29Å; W54-L66 WeakPolarHBondContact O-CB 3.43Å; W54-L66 PolarHBondContact O-N 2.94Å; W54-G67 PolarHBondContact N-O 2.84Å; W54-G67 PolarHBondContact O-N 3.42Å; W54-V96 HydrophobicContact CZ2-CG1 4.28Å; W54-F98 HydrophobicContact CB-CD2 3.88Å; W54-F98 HydrophobicContact CB-CE2 4.11Å; W54-F98 AromaticContact CD1-CD2 3.93Å; W54-F98 HydrophobicContact CD2-CB 3.6Å; W54-F98 AromaticContact CD2-CD2 3.8Å; W54-F98 HydrophobicContact CD2-CD2 3.8Å; W54-F98 AromaticContact CD2-CG 3.83Å; W54-F98 HydrophobicContact CD2-CG 3.83Å; W54-F98 HydrophobicContact CE3-CB 3.97Å; W54-F98 HydrophobicContact CE3-CD2 4.3Å; W54-F98 HydrophobicContact CE3-CG 4.05Å; W54-F98 HydrophobicContact CG-CB 4.16Å; W54-F98 AromaticContact CG-CD2 3.57Å; W54-F98 HydrophobicContact CG-CD2 3.57Å; W54-F98 HydrophobicContact CG-CE2 4.29Å; W54-F98 HydrophobicContact CG-CG 4.12Å; W54-F98 HydrophobicContact CH2-CB 3.82Å; W54-F98 HydrophobicContact CZ2-CB 3.45Å; W54-F98 VanDerWaalsContact CZ2-CB 3.45Å; W54-F98 HydrophobicContact CZ3-CB 4.08Å; W54-F98 HydrophobicContact CZ3-CG 4.47Å; W54-Y112 WeakPolarHBondContact CA-O 3.3Å; W54-C113 HydrophobicContact CD2-CB 4.17Å; W54-C113 HydrophobicContact CE3-CB 3.98Å; W54-C113 HydrophobicContact CH2-CB 3.82Å; W54-C113 HydrophobicContact CZ2-CB 3.97Å; W54-C113 HydrophobicContact CZ3-CB 3.8Å
55	V	98.1	Very high	97	Very high	26 Å²	26	57 Å²	57	16%	0.158	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.7	177.4	-58.2	0	0	0	0	108.8	E64 Y112	V55-E64 CarbonylContact C-O 3.59Å; V55-E64 VanDerWaalsContact CA-O 3.26Å; V55-E64 WeakPolarHBondContact CA-O 3Å; V55-Y112 HydrophobicContact CG2-CD2 4.31Å; V55-Y112 PolarHBondContact N-O 2.7Å; V55-Y112 PolarHBondContact O-N 3.08Å
56	R	96.9	Very high	97.2	Very high	11 Å²	11	55.8 Å²	55.8	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159	171.1	69.9	176.9	-173.2	175.4	10.9	111.7	L63 E64 L66 F81 D107 A109 I110 Y111	R56-L63 WeakPolarHBondContact O-CA 3.43Å; R56-E64 HydrophobicContact CG-CB 4.12Å; R56-E64 IonicContact CZ-OE2 2.63Å; R56-E64 PolarHBondContact N-O 2.81Å; R56-E64 IonicContact NE-OE2 3.2Å; R56-E64 PolarHBondContact NE-OE2 2.63Å; R56-E64 IonicContact NH2-OE2 3.97Å; R56-E64 PolarHBondContact NH2-OE2 3.43Å; R56-E64 PolarHBondContact O-N 2.82Å; R56-L66 HydrophobicContact CB-CD1 3.96Å; R56-L66 HydrophobicContact CB-CG 4.48Å; R56-L66 HydrophobicContact CG-CD1 4.12Å; R56-L66 HydrophobicContact CG-CD2 4.01Å; R56-L66 HydrophobicContact CG-CG 4.2Å; R56-F81 VanDerWaalsContact CZ-CE1 3.43Å; R56-F81 VanDerWaalsContact CZ-CZ 3.47Å; R56-D107 IonicContact CZ-OD1 3.35Å; R56-D107 IonicContact NH1-OD1 3.15Å; R56-D107 PolarHBondContact NH1-OD1 3.15Å; R56-A109 HydrophobicContact CB-CB 3.91Å; R56-A109 HydrophobicContact CG-CB 4.2Å; R56-I110 CarbonylContact C-O 3.45Å; R56-I110 WeakPolarHBondContact CA-O 3.43Å; R56-Y111 HydrophobicContact CB-CD1 3.98Å; R56-Y111 HydrophobicContact CB-CE1 4.1Å; R56-Y111 HydrophobicContact CB-CG 4.27Å
57	Q	97.5	Very high	97.3	Very high	76 Å²	76	53.4 Å²	53.4	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	106.9	174.7	-164.5	175.6	18.7	0	0	109.5	L63 A109 I110 Y112	Q57-L63 HydrophobicContact CB-CD2 3.93Å; Q57-L63 HydrophobicContact CG-CD2 4.19Å; Q57-A109 WeakPolarHBondContact O-CA 3.4Å; Q57-A109 WeakPolarHBondContact O-CB 3.33Å; Q57-I110 PolarHBondContact N-O 3.11Å; Q57-I110 PolarHBondContact O-N 2.9Å; Q57-Y112 HydrophobicContact CB-CE2 3.97Å
58	S	96.1	Very high	97.3	Very high	12 Å²	12	53.2 Å²	53.2	8%	0.084	31%	0.308	C	S	.	.			trans	-74.3	151.9	171.5	-54.9	0	0	0	0	110.6	G60 K61	S58-G60 PolarHBondContact O-N 2.92Å; S58-K61 PolarHBondContact O-N 2.84Å
59	P	95.6	Very high	97.4	Very high	105 Å²	105	50.1 Å²	50.1	68%	0.682	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.9	175.6	-26	34.6	0	0	0	112	K61 T108	P59-K61 PolarHBondContact O-N 2.03Å; P59-T108 WeakPolarHBondContact CD-O 2.94Å
60	G	96.8	Very high	97.5	Very high	93 Å²	93	51.7 Å²	51.7	96%	0.959	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	6.9	179.9	0	0	0	0	0	115.6	S58	S58-G60 PolarHBondContact O-N 2.92Å
61	K	95.8	Very high	97.6	Very high	150 Å²	150	54 Å²	54	65%	0.652	29%	0.292	S	S	*	.	S	Bend	trans	-115	165.5	177	-59.4	-169.4	-178.3	176.6	0	111.9	S58 P59	S58-K61 PolarHBondContact O-N 2.84Å; P59-K61 PolarHBondContact O-N 2.03Å
62	G	96.1	Very high	97.6	Very high	56 Å²	56	57 Å²	57	58%	0.577	32%	0.324	S	S	*	.			trans	-71.8	-178.5	172.7	0	0	0	0	0	113.1
63	L	97.4	Very high	97.5	Very high	118 Å²	118	58.8 Å²	58.8	62%	0.618	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.5	171.8	-64.1	176.3	0	0	0	110.3	R56 Q57	R56-L63 WeakPolarHBondContact O-CA 3.43Å; Q57-L63 HydrophobicContact CB-CD2 3.93Å; Q57-L63 HydrophobicContact CG-CD2 4.19Å
64	E	97.6	Very high	97.5	Very high	64 Å²	64	60.1 Å²	60.1	30%	0.299	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	175.4	-177.6	173.2	-146	0	0	109.4	V55 R56 F81	V55-E64 CarbonylContact C-O 3.59Å; V55-E64 VanDerWaalsContact CA-O 3.26Å; V55-E64 WeakPolarHBondContact CA-O 3Å; R56-E64 HydrophobicContact CG-CB 4.12Å; R56-E64 IonicContact CZ-OE2 2.63Å; R56-E64 PolarHBondContact N-O 2.81Å; R56-E64 IonicContact NE-OE2 3.2Å; R56-E64 PolarHBondContact NE-OE2 2.63Å; R56-E64 IonicContact NH2-OE2 3.97Å; R56-E64 PolarHBondContact NH2-OE2 3.43Å; R56-E64 PolarHBondContact O-N 2.82Å; E64-F81 HydrophobicContact CG-CE2 4.17Å; E64-F81 WeakPolarHBondContact OE1-CE2 3.33Å; E64-F81 WeakPolarHBondContact OE1-CZ 3.01Å
65	W	98.1	Very high	97.5	Very high	93 Å²	93	62.3 Å²	62.3	35%	0.352	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.9	177.4	-179.9	75.3	0	0	0	111.1	H53 G67 V68 D76 N78	H53-W65 AromaticContact ND1-CD1 3.99Å; H53-W65 AromaticContact ND1-NE1 3.26Å; H53-W65 PolarHBondContact ND1-NE1 2.81Å; W65-G67 PolarHBondContact NE1-O 3.35Å; W65-G67 VanDerWaalsContact NE1-O 3.09Å; W65-V68 HydrophobicContact CZ2-CB 4.15Å; W65-V68 HydrophobicContact CZ2-CG1 3.93Å; W65-D76 HydrophobicContact CH2-CB 4.09Å; W65-N78 HydrophobicContact CE3-CB 3.82Å; W65-N78 HydrophobicContact CZ3-CB 3.94Å; W65-N78 VanDerWaalsContact CZ3-N 3.34Å; W65-N78 VanDerWaalsContact O-CB 3.25Å; W65-N78 WeakPolarHBondContact O-CB 3.33Å; W65-N78 PolarHBondContact O-ND2 2.76Å
66	L	98.2	Very high	97.5	Very high	0 Å²	0	65 Å²	65	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-40.1	-175.5	-63.6	174.6	0	0	0	112.8	W54 R56 N78 F81 L85 F98 Y111	W54-L66 HydrophobicContact CB-CB 4.29Å; W54-L66 WeakPolarHBondContact O-CB 3.43Å; W54-L66 PolarHBondContact O-N 2.94Å; R56-L66 HydrophobicContact CB-CD1 3.96Å; R56-L66 HydrophobicContact CB-CG 4.48Å; R56-L66 HydrophobicContact CG-CD1 4.12Å; R56-L66 HydrophobicContact CG-CD2 4.01Å; R56-L66 HydrophobicContact CG-CG 4.2Å; L66-N78 PolarHBondContact O-N 2.8Å; L66-F81 HydrophobicContact CD2-CD1 4.42Å; L66-F81 HydrophobicContact CD2-CD2 3.56Å; L66-F81 HydrophobicContact CD2-CE2 3.76Å; L66-F81 HydrophobicContact CD2-CG 3.93Å; L66-F81 HydrophobicContact CD2-CZ 4.3Å; L66-L85 HydrophobicContact CB-CD1 3.91Å; L66-L85 WeakPolarHBondContact O-CD1 3.4Å; L66-F98 HydrophobicContact CB-CE2 4.41Å; L66-F98 HydrophobicContact CD1-CE2 3.95Å; L66-F98 HydrophobicContact CD1-CZ 3.81Å; L66-Y111 HydrophobicContact CD1-CD1 3.6Å; L66-Y111 HydrophobicContact CD1-CE1 3.6Å
67	G	98.4	Very high	97.6	Very high	0 Å²	0	67 Å²	67	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	177.8	-177	0	0	0	0	0	112.9	H53 W54 W65 D76	H53-G67 CarbonylContact C-O 3.55Å; H53-G67 WeakPolarHBondContact CA-O 3.48Å; W54-G67 PolarHBondContact N-O 2.84Å; W54-G67 PolarHBondContact O-N 3.42Å; W65-G67 PolarHBondContact NE1-O 3.35Å; W65-G67 VanDerWaalsContact NE1-O 3.09Å; G67-D76 CarbonylContact C-O 3.6Å; G67-D76 WeakPolarHBondContact CA-O 3.46Å
68	V	98.6	Very high	97.6	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.8	177.6	63.4	0	0	0	0	109.4	V52 W65 W70 T75 D76	V52-V68 WeakPolarHBondContact O-CA 3.39Å; W65-V68 HydrophobicContact CZ2-CB 4.15Å; W65-V68 HydrophobicContact CZ2-CG1 3.93Å; V68-W70 HydrophobicContact CG1-CD2 4.26Å; V68-W70 HydrophobicContact CG1-CH2 4.49Å; V68-W70 HydrophobicContact CG1-CZ2 3.73Å; V68-W70 HydrophobicContact CG2-CD2 4.2Å; V68-W70 HydrophobicContact CG2-CE3 4.29Å; V68-W70 HydrophobicContact CG2-CZ2 4.45Å; V68-W70 HydrophobicContact CG2-CZ3 4.45Å; V68-T75 WeakPolarHBondContact O-CA 3.26Å; V68-D76 HydrophobicContact CG1-CB 3.92Å; V68-D76 PolarHBondContact N-O 2.76Å; V68-D76 PolarHBondContact O-N 2.83Å; V68-D76 VanDerWaalsContact O-N 3.08Å
69	I	98.7	Very high	97.6	Very high	8 Å²	8	69 Å²	69	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.6	158.3	-171	163.9	0	0	0	109	G51 V52 T75 I87 K89 V96	G51-I69 CarbonylContact C-O 3.57Å; G51-I69 WeakPolarHBondContact CA-O 3.49Å; V52-I69 PolarHBondContact N-O 2.78Å; V52-I69 PolarHBondContact O-N 3.33Å; V52-I69 VanDerWaalsContact O-N 3.08Å; I69-T75 HydrophobicContact CB-CG2 4.01Å; I69-T75 HydrophobicContact CD1-CG2 4.06Å; I69-T75 HydrophobicContact CG1-CG2 3.86Å; I69-I87 HydrophobicContact CB-CG2 3.69Å; I69-I87 HydrophobicContact CG2-CG2 3.64Å; I69-K89 HydrophobicContact CD1-CB 4.01Å; I69-K89 HydrophobicContact CD1-CD 3.85Å; I69-K89 HydrophobicContact CD1-CG 3.73Å; I69-K89 HydrophobicContact CG1-CD 4Å; I69-K89 HydrophobicContact CG1-CG 4.43Å; I69-K89 HydrophobicContact CG2-CB 4.45Å; I69-K89 HydrophobicContact CG2-CD 4.3Å; I69-V96 HydrophobicContact CG2-CG1 3.76Å; I69-V96 HydrophobicContact CG2-CG2 4.44Å
70	W	98.4	Very high	97.6	Very high	99 Å²	99	67.2 Å²	67.2	38%	0.375	41%	0.41	S	S	.	.			trans	-77.8	164.1	-179.1	-63.1	107.3	0	0	0	111.5	V68 G72 G73 S74 D76 K89	V68-W70 HydrophobicContact CG1-CD2 4.26Å; V68-W70 HydrophobicContact CG1-CH2 4.49Å; V68-W70 HydrophobicContact CG1-CZ2 3.73Å; V68-W70 HydrophobicContact CG2-CD2 4.2Å; V68-W70 HydrophobicContact CG2-CE3 4.29Å; V68-W70 HydrophobicContact CG2-CZ2 4.45Å; V68-W70 HydrophobicContact CG2-CZ3 4.45Å; W70-G72 PolarHBondContact O-N 2.83Å; W70-G72 VanDerWaalsContact O-N 3.11Å; W70-G73 PolarHBondContact O-N 2.89Å; W70-S74 PolarHBondContact N-O 2.88Å; W70-D76 PolarHBondContact NE1-OD2 3.48Å; W70-K89 WeakPolarHBondContact O-CE 3.37Å
71	R	97.4	Very high	97.4	Very high	164 Å²	164	63.2 Å²	63.2	62%	0.619	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.5	177	66	178.9	-177.5	129.5	-1	113.6	S49 G73 K89	S49-R71 WeakPolarHBondContact O-CD 3.42Å; R71-G73 VanDerWaalsContact C-N 3.26Å; R71-G73 PolarHBondContact O-N 2.83Å; R71-K89 PolarHBondContact O-NZ 3.44Å
72	G	97.4	Very high	97.4	Very high	74 Å²	74	61.8 Å²	61.8	76%	0.763	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-6	178.8	0	0	0	0	0	114.6	W70	W70-G72 PolarHBondContact O-N 2.83Å; W70-G72 VanDerWaalsContact O-N 3.11Å
73	G	97.7	Very high	97.3	Very high	38 Å²	38	64.5 Å²	64.5	39%	0.392	37%	0.374	S	S	.	.	S	Bend	trans	92.5	-6.7	179.5	0	0	0	0	0	115.1	W70 R71	W70-G73 PolarHBondContact O-N 2.89Å; R71-G73 VanDerWaalsContact C-N 3.26Å; R71-G73 PolarHBondContact O-N 2.83Å
74	S	98.1	Very high	97.3	Very high	74 Å²	74	60.1 Å²	60.1	52%	0.517	35%	0.349	S	S	.	.			trans	-66.1	150.3	170	53.1	0	0	0	0	111.1	W70	W70-S74 PolarHBondContact N-O 2.88Å
75	T	98.5	Very high	97.3	Very high	47 Å²	47	57.7 Å²	57.7	29%	0.288	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.2	-179.4	55.6	0	0	0	0	111.1	V68 I69 Y77 I87	V68-T75 WeakPolarHBondContact O-CA 3.26Å; I69-T75 HydrophobicContact CB-CG2 4.01Å; I69-T75 HydrophobicContact CD1-CG2 4.06Å; I69-T75 HydrophobicContact CG1-CG2 3.86Å; T75-Y77 VanDerWaalsContact OG1-CE2 3.29Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.34Å; T75-Y77 PolarHBondContact OG1-OH 2.86Å; T75-I87 HydrophobicContact CG2-CB 4.47Å
76	D	98.1	Very high	97.3	Very high	81 Å²	81	55.6 Å²	55.6	43%	0.433	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.6	165.7	-59.7	-50	0	0	0	109.5	W65 G67 V68 W70	W65-D76 HydrophobicContact CH2-CB 4.09Å; G67-D76 CarbonylContact C-O 3.6Å; G67-D76 WeakPolarHBondContact CA-O 3.46Å; V68-D76 HydrophobicContact CG1-CB 3.92Å; V68-D76 PolarHBondContact N-O 2.76Å; V68-D76 PolarHBondContact O-N 2.83Å; V68-D76 VanDerWaalsContact O-N 3.08Å; W70-D76 PolarHBondContact NE1-OD2 3.48Å
77	Y	98.3	Very high	97.3	Very high	53 Å²	53	55.9 Å²	55.9	21%	0.208	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.7	-178.2	-59.6	-79.1	0	0	0	110.5	T75 A79 M82 L85 I87	T75-Y77 VanDerWaalsContact OG1-CE2 3.29Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.34Å; T75-Y77 PolarHBondContact OG1-OH 2.86Å; Y77-A79 PolarHBondContact O-N 3.06Å; Y77-M82 HydrophobicContact CD2-CG 4.17Å; Y77-M82 HydrophobicContact CG-CG 4.32Å; Y77-L85 HydrophobicContact CD1-CB 3.86Å; Y77-L85 HydrophobicContact CD1-CD1 4.31Å; Y77-L85 HydrophobicContact CE1-CB 3.99Å; Y77-I87 HydrophobicContact CD1-CD1 4.13Å; Y77-I87 HydrophobicContact CE1-CB 4.36Å; Y77-I87 HydrophobicContact CE1-CD1 3.7Å; Y77-I87 HydrophobicContact CE1-CG1 3.87Å; Y77-I87 PolarHBondContact OH-N 2.84Å
78	N	97.4	Very high	97.3	Very high	41 Å²	41	59.1 Å²	59.1	22%	0.219	36%	0.359	C	S	.	.			trans	-67.3	128.5	163.9	179	-29.1	0	0	0	108.8	W65 L66 A80 F81 M82	W65-N78 HydrophobicContact CE3-CB 3.82Å; W65-N78 HydrophobicContact CZ3-CB 3.94Å; W65-N78 VanDerWaalsContact CZ3-N 3.34Å; W65-N78 VanDerWaalsContact O-CB 3.25Å; W65-N78 WeakPolarHBondContact O-CB 3.33Å; W65-N78 PolarHBondContact O-ND2 2.76Å; L66-N78 PolarHBondContact O-N 2.8Å; N78-A80 PolarHBondContact O-N 3.01Å; N78-A80 VanDerWaalsContact O-N 3.1Å; N78-A80 WeakPolarHBondContact OD1-CB 3.25Å; N78-A80 PolarHBondContact OD1-N 2.8Å; N78-F81 HydrophobicContact CB-CD2 3.95Å; N78-F81 PolarHBondContact O-N 3.44Å; N78-M82 PolarHBondContact O-N 3.31Å
79	A	97	Very high	97.3	Very high	91 Å²	91	61.1 Å²	61.1	75%	0.752	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.6	-176.8	0	0	0	0	0	113.3	Y77 F81	Y77-A79 PolarHBondContact O-N 3.06Å; A79-F81 PolarHBondContact O-N 2.78Å
80	A	95.1	Very high	97.3	Very high	66 Å²	66	62.6 Å²	62.6	55%	0.545	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.2	179	0	0	0	0	0	113.8	N78	N78-A80 PolarHBondContact O-N 3.01Å; N78-A80 VanDerWaalsContact O-N 3.1Å; N78-A80 WeakPolarHBondContact OD1-CB 3.25Å; N78-A80 PolarHBondContact OD1-N 2.8Å
81	F	94.4	Very high	97.2	Very high	9 Å²	9	61.4 Å²	61.4	4%	0.039	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-10.4	-173.6	-52.1	-73.7	0	0	0	113.9	R56 E64 L66 N78 A79 S83 R84 L85 M100	R56-F81 VanDerWaalsContact CZ-CE1 3.43Å; R56-F81 VanDerWaalsContact CZ-CZ 3.47Å; E64-F81 HydrophobicContact CG-CE2 4.17Å; E64-F81 WeakPolarHBondContact OE1-CE2 3.33Å; E64-F81 WeakPolarHBondContact OE1-CZ 3.01Å; L66-F81 HydrophobicContact CD2-CD1 4.42Å; L66-F81 HydrophobicContact CD2-CD2 3.56Å; L66-F81 HydrophobicContact CD2-CE2 3.76Å; L66-F81 HydrophobicContact CD2-CG 3.93Å; L66-F81 HydrophobicContact CD2-CZ 4.3Å; N78-F81 HydrophobicContact CB-CD2 3.95Å; N78-F81 PolarHBondContact O-N 3.44Å; A79-F81 PolarHBondContact O-N 2.78Å; F81-S83 PolarHBondContact O-N 2.83Å; F81-R84 PolarHBondContact O-N 2.83Å; F81-L85 HydrophobicContact CB-CD1 3.42Å; F81-L85 VanDerWaalsContact CB-CD1 3.42Å; F81-L85 HydrophobicContact CB-CG 3.72Å; F81-L85 HydrophobicContact CG-CD1 4.39Å; F81-L85 WeakPolarHBondContact O-CG 3.36Å; F81-L85 PolarHBondContact O-N 2.9Å; F81-M100 HydrophobicContact CB-CE 4.16Å; F81-M100 HydrophobicContact CD1-CE 3.53Å; F81-M100 HydrophobicContact CE1-CE 4.38Å; F81-M100 HydrophobicContact CG-CE 4.15Å
82	M	93.7	Very high	97.2	Very high	120 Å²	120	58.5 Å²	58.5	59%	0.591	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-36.9	-172.2	-178.8	-180	173.9	0	0	113.9	Y77 N78 R84	Y77-M82 HydrophobicContact CD2-CG 4.17Å; Y77-M82 HydrophobicContact CG-CG 4.32Å; N78-M82 PolarHBondContact O-N 3.31Å; M82-R84 PolarHBondContact O-N 2.86Å
83	S	95.9	Very high	97.2	Very high	114 Å²	114	60.8 Å²	60.8	80%	0.797	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	-179.2	58.5	0	0	0	0	114.4	F81	F81-S83 PolarHBondContact O-N 2.83Å
84	R	96.3	Very high	97.2	Very high	25 Å²	25	61.1 Å²	61.1	9%	0.094	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-13.8	-173.8	-58.7	-170.4	-64	132.9	-2.3	113.5	F81 M82 M100 N101 S102 D107	F81-R84 PolarHBondContact O-N 2.83Å; M82-R84 PolarHBondContact O-N 2.86Å; R84-M100 WeakPolarHBondContact O-CA 3.45Å; R84-N101 PolarHBondContact O-N 3.37Å; R84-S102 PolarHBondContact NH1-O 3.37Å; R84-D107 IonicContact CZ-OD1 3.86Å; R84-D107 IonicContact CZ-OD2 2.94Å; R84-D107 IonicContact NH1-OD1 2.82Å; R84-D107 IonicContact NH1-OD2 3.86Å; R84-D107 PolarHBondContact NH1-OD2 3.14Å; R84-D107 IonicContact NH2-OD1 3.45Å; R84-D107 PolarHBondContact NH2-OD1 2.73Å; R84-D107 IonicContact NH2-OD2 2.8Å; R84-D107 PolarHBondContact NH2-OD2 2.88Å; R84-D107 VanDerWaalsContact NH2-OD2 3.15Å
85	L	97.2	Very high	97.2	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	147.5	-175.7	-66.6	-175.2	0	0	0	113.4	L66 Y77 F81 F98 K99 M100	L66-L85 HydrophobicContact CB-CD1 3.91Å; L66-L85 WeakPolarHBondContact O-CD1 3.4Å; Y77-L85 HydrophobicContact CD1-CB 3.86Å; Y77-L85 HydrophobicContact CD1-CD1 4.31Å; Y77-L85 HydrophobicContact CE1-CB 3.99Å; F81-L85 HydrophobicContact CB-CD1 3.42Å; F81-L85 VanDerWaalsContact CB-CD1 3.42Å; F81-L85 HydrophobicContact CB-CG 3.72Å; F81-L85 HydrophobicContact CG-CD1 4.39Å; F81-L85 WeakPolarHBondContact O-CG 3.36Å; F81-L85 PolarHBondContact O-N 2.9Å; L85-F98 HydrophobicContact CD1-CE2 4.22Å; L85-F98 HydrophobicContact CD2-CE1 4.38Å; L85-F98 HydrophobicContact CD2-CE2 3.5Å; L85-F98 HydrophobicContact CD2-CZ 3.37Å; L85-F98 HydrophobicContact CG-CE2 4.4Å; L85-K99 CarbonylContact C-O 3.59Å; L85-K99 WeakPolarHBondContact CA-O 3.38Å; L85-M100 HydrophobicContact CD2-CB 3.69Å; L85-M100 HydrophobicContact CD2-CE 3.74Å; L85-M100 HydrophobicContact CD2-CG 3.59Å; L85-M100 HydrophobicContact CD2-SD 3.71Å; L85-M100 HydrophobicContact CG-CE 4.35Å
86	S	98.1	Very high	97.3	Very high	49 Å²	49	57.6 Å²	57.6	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	128.4	167.1	-179.2	0	0	0	0	109.3	K99	S86-K99 PolarHBondContact N-O 3.32Å; S86-K99 PolarHBondContact O-N 3.15Å
87	I	98.6	Very high	97.3	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129	176	-56.8	161.4	0	0	0	108.5	I69 T75 Y77 V96 F97 F98	I69-I87 HydrophobicContact CB-CG2 3.69Å; I69-I87 HydrophobicContact CG2-CG2 3.64Å; T75-I87 HydrophobicContact CG2-CB 4.47Å; Y77-I87 HydrophobicContact CD1-CD1 4.13Å; Y77-I87 HydrophobicContact CE1-CB 4.36Å; Y77-I87 HydrophobicContact CE1-CD1 3.7Å; Y77-I87 HydrophobicContact CE1-CG1 3.87Å; Y77-I87 PolarHBondContact OH-N 2.84Å; I87-V96 HydrophobicContact CG2-CG1 3.89Å; I87-F97 CarbonylContact C-O 3.54Å; I87-F97 VanDerWaalsContact CA-O 3.3Å; I87-F97 WeakPolarHBondContact CA-O 3.42Å; I87-F98 HydrophobicContact CG1-CD2 4.06Å
88	T	98.4	Very high	97.3	Very high	68 Å²	68	54.3 Å²	54.3	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.4	175.8	65.9	0	0	0	0	110.5	V96 F97	T88-V96 CarbonylContact O-C 3.51Å; T88-V96 WeakPolarHBondContact O-CA 3.42Å; T88-V96 WeakPolarHBondContact O-CG1 3.46Å; T88-F97 PolarHBondContact N-O 3.44Å; T88-F97 PolarHBondContact O-N 3.26Å
89	K	98.3	Very high	97.3	Very high	44 Å²	44	56.7 Å²	56.7	19%	0.191	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.8	177.9	71.8	-172.6	-178.9	107.4	0	112.7	L47 I69 W70 R71 N91 Q95 V96	L47-K89 HydrophobicContact CD1-CB 4.43Å; L47-K89 PolarHBondContact O-NZ 2.89Å; I69-K89 HydrophobicContact CD1-CB 4.01Å; I69-K89 HydrophobicContact CD1-CD 3.85Å; I69-K89 HydrophobicContact CD1-CG 3.73Å; I69-K89 HydrophobicContact CG1-CD 4Å; I69-K89 HydrophobicContact CG1-CG 4.43Å; I69-K89 HydrophobicContact CG2-CB 4.45Å; I69-K89 HydrophobicContact CG2-CD 4.3Å; W70-K89 WeakPolarHBondContact O-CE 3.37Å; R71-K89 PolarHBondContact O-NZ 3.44Å; K89-N91 PolarHBondContact NZ-OD1 2.84Å; K89-Q95 CarbonylContact C-O 3.53Å; K89-Q95 WeakPolarHBondContact CA-O 3.31Å; K89-V96 HydrophobicContact CB-CG2 4.06Å
90	D	98.1	Very high	97.3	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.4	170.4	-176.7	-16.6	0	0	0	108.3	S92 K93 S94 Q95 F97	D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 2.85Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 2.97Å; D90-S92 PolarHBondContact OD1-OG 3.17Å; D90-K93 HydrophobicContact CB-CB 4.4Å; D90-K93 PolarHBondContact O-N 2.89Å; D90-K93 PolarHBondContact OD1-N 3.03Å; D90-K93 WeakPolarHBondContact OD2-CD 3.41Å; D90-K93 VanDerWaalsContact OD2-CE 3.23Å; D90-K93 WeakPolarHBondContact OD2-CE 3.4Å; D90-K93 WeakPolarHBondContact OD2-CG 3.35Å; D90-K93 IonicContact OD2-NZ 2.76Å; D90-K93 PolarHBondContact OD2-NZ 2.86Å; D90-S94 PolarHBondContact O-N 3.09Å; D90-S94 VanDerWaalsContact O-N 3.15Å; D90-Q95 PolarHBondContact N-O 3.1Å; D90-Q95 PolarHBondContact O-N 3.02Å; D90-F97 HydrophobicContact CB-CE2 3.92Å
91	N	97.6	Very high	97.4	Very high	74 Å²	74	51.9 Å²	51.9	40%	0.396	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.9	-32.2	-179.2	-62.4	-22.5	0	0	0	111.9	L47 T48 K89 K93 S94	L47-N91 WeakPolarHBondContact CB-OD1 3.23Å; T48-N91 HydrophobicContact CG2-CB 4.41Å; K89-N91 PolarHBondContact NZ-OD1 2.84Å; N91-K93 PolarHBondContact O-N 2.98Å; N91-S94 PolarHBondContact O-N 3.08Å
92	S	97.1	Very high	97.4	Very high	103 Å²	103	55 Å²	55	72%	0.72	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.1	-26.5	-177.2	72.8	0	0	0	0	112.3	D90	D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 2.85Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 2.97Å; D90-S92 PolarHBondContact OD1-OG 3.17Å
93	K	97.8	Very high	97.5	Very high	121 Å²	121	50 Å²	50	53%	0.526	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-103.4	-0.2	178.8	-61.5	-179.3	-168.9	160.7	0	113.4	D90 N91 Q95	D90-K93 HydrophobicContact CB-CB 4.4Å; D90-K93 PolarHBondContact O-N 2.89Å; D90-K93 PolarHBondContact OD1-N 3.03Å; D90-K93 WeakPolarHBondContact OD2-CD 3.41Å; D90-K93 VanDerWaalsContact OD2-CE 3.23Å; D90-K93 WeakPolarHBondContact OD2-CE 3.4Å; D90-K93 WeakPolarHBondContact OD2-CG 3.35Å; D90-K93 IonicContact OD2-NZ 2.76Å; D90-K93 PolarHBondContact OD2-NZ 2.86Å; N91-K93 PolarHBondContact O-N 2.98Å; K93-Q95 HydrophobicContact CB-CB 4.27Å; K93-Q95 HydrophobicContact CB-CG 4.22Å; K93-Q95 WeakPolarHBondContact O-CG 3.45Å; K93-Q95 PolarHBondContact O-N 2.96Å
94	S	97.6	Very high	97.5	Very high	45 Å²	45	49.3 Å²	49.3	32%	0.315	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	44.1	-171.3	-58.7	0	0	0	0	112.3	T41 V42 D90 N91	T41-S94 CarbonylContact C-O 3.56Å; T41-S94 WeakPolarHBondContact CA-O 3.34Å; V42-S94 PolarHBondContact N-O 2.87Å; V42-S94 VanDerWaalsContact O-CB 3.31Å; V42-S94 WeakPolarHBondContact O-CB 3.25Å; D90-S94 PolarHBondContact O-N 3.09Å; D90-S94 VanDerWaalsContact O-N 3.15Å; N91-S94 PolarHBondContact O-N 3.08Å
95	Q	98.6	Very high	97.3	Very high	48 Å²	48	51.7 Å²	51.7	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.8	-175	-79.2	171.5	45.6	0	0	112.4	T39 C40 T41 K89 D90 K93 F97	T39-Q95 HydrophobicContact CG2-CB 4.12Å; T39-Q95 HydrophobicContact CG2-CG 3.86Å; C40-Q95 CarbonylContact O-C 3.43Å; C40-Q95 WeakPolarHBondContact O-CA 3.38Å; T41-Q95 HydrophobicContact CG2-CG 4.31Å; K89-Q95 CarbonylContact C-O 3.53Å; K89-Q95 WeakPolarHBondContact CA-O 3.31Å; D90-Q95 PolarHBondContact N-O 3.1Å; D90-Q95 PolarHBondContact O-N 3.02Å; K93-Q95 HydrophobicContact CB-CB 4.27Å; K93-Q95 HydrophobicContact CB-CG 4.22Å; K93-Q95 WeakPolarHBondContact O-CG 3.45Å; K93-Q95 PolarHBondContact O-N 2.96Å; Q95-F97 HydrophobicContact CB-CE1 4.25Å; Q95-F97 HydrophobicContact CB-CE2 4.18Å; Q95-F97 HydrophobicContact CB-CZ 3.76Å
96	V	98.7	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.1	171	-179.8	0	0	0	0	108	T39 C40 L47 V52 W54 I69 I87 T88 K89	T39-V96 CarbonylContact C-O 3.58Å; C40-V96 HydrophobicContact CB-CB 4.44Å; C40-V96 PolarHBondContact N-O 2.98Å; C40-V96 PolarHBondContact O-N 3.3Å; L47-V96 HydrophobicContact CD1-CG2 3.88Å; L47-V96 HydrophobicContact CD2-CG2 3.64Å; L47-V96 HydrophobicContact CG-CG2 4.45Å; V52-V96 HydrophobicContact CB-CB 4.46Å; V52-V96 HydrophobicContact CB-CG1 4.32Å; V52-V96 HydrophobicContact CB-CG2 3.92Å; V52-V96 HydrophobicContact CG1-CB 4.36Å; V52-V96 HydrophobicContact CG1-CG1 4.29Å; V52-V96 HydrophobicContact CG1-CG2 4.26Å; V52-V96 HydrophobicContact CG2-CG2 3.8Å; W54-V96 HydrophobicContact CZ2-CG1 4.28Å; I69-V96 HydrophobicContact CG2-CG1 3.76Å; I69-V96 HydrophobicContact CG2-CG2 4.44Å; I87-V96 HydrophobicContact CG2-CG1 3.89Å; T88-V96 CarbonylContact O-C 3.51Å; T88-V96 WeakPolarHBondContact O-CA 3.42Å; T88-V96 WeakPolarHBondContact O-CG1 3.46Å; K89-V96 HydrophobicContact CB-CG2 4.06Å
97	F	98.6	Very high	97	Very high	62 Å²	62	53.3 Å²	53.3	27%	0.272	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.9	-178.6	-51.7	-79.3	0	0	0	109.3	T39 I87 T88 D90 Q95	T39-F97 HydrophobicContact CG2-CD1 3.87Å; T39-F97 HydrophobicContact CG2-CE1 3.61Å; T39-F97 WeakPolarHBondContact OG1-CD1 3.46Å; I87-F97 CarbonylContact C-O 3.54Å; I87-F97 VanDerWaalsContact CA-O 3.3Å; I87-F97 WeakPolarHBondContact CA-O 3.42Å; T88-F97 PolarHBondContact N-O 3.44Å; T88-F97 PolarHBondContact O-N 3.26Å; D90-F97 HydrophobicContact CB-CE2 3.92Å; Q95-F97 HydrophobicContact CB-CE1 4.25Å; Q95-F97 HydrophobicContact CB-CE2 4.18Å; Q95-F97 HydrophobicContact CB-CZ 3.76Å
98	F	98.4	Very high	96.8	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.8	173.7	170	-89	0	0	0	108.9	L36 S37 I38 W54 L66 L85 I87 M100 Y111	L36-F98 HydrophobicContact CD2-CE1 4.25Å; S37-F98 CarbonylContact C-O 3.56Å; S37-F98 WeakPolarHBondContact CA-O 3.19Å; I38-F98 HydrophobicContact CB-CD1 4.48Å; I38-F98 HydrophobicContact CD1-CD1 4.28Å; I38-F98 HydrophobicContact CG1-CD1 4.5Å; I38-F98 PolarHBondContact N-O 2.78Å; I38-F98 PolarHBondContact O-N 3.45Å; W54-F98 HydrophobicContact CB-CD2 3.88Å; W54-F98 HydrophobicContact CB-CE2 4.11Å; W54-F98 AromaticContact CD1-CD2 3.93Å; W54-F98 HydrophobicContact CD2-CB 3.6Å; W54-F98 AromaticContact CD2-CD2 3.8Å; W54-F98 HydrophobicContact CD2-CD2 3.8Å; W54-F98 AromaticContact CD2-CG 3.83Å; W54-F98 HydrophobicContact CD2-CG 3.83Å; W54-F98 HydrophobicContact CE3-CB 3.97Å; W54-F98 HydrophobicContact CE3-CD2 4.3Å; W54-F98 HydrophobicContact CE3-CG 4.05Å; W54-F98 HydrophobicContact CG-CB 4.16Å; W54-F98 AromaticContact CG-CD2 3.57Å; W54-F98 HydrophobicContact CG-CD2 3.57Å; W54-F98 HydrophobicContact CG-CE2 4.29Å; W54-F98 HydrophobicContact CG-CG 4.12Å; W54-F98 HydrophobicContact CH2-CB 3.82Å; W54-F98 HydrophobicContact CZ2-CB 3.45Å; W54-F98 VanDerWaalsContact CZ2-CB 3.45Å; W54-F98 HydrophobicContact CZ3-CB 4.08Å; W54-F98 HydrophobicContact CZ3-CG 4.47Å; L66-F98 HydrophobicContact CB-CE2 4.41Å; L66-F98 HydrophobicContact CD1-CE2 3.95Å; L66-F98 HydrophobicContact CD1-CZ 3.81Å; L85-F98 HydrophobicContact CD1-CE2 4.22Å; L85-F98 HydrophobicContact CD2-CE1 4.38Å; L85-F98 HydrophobicContact CD2-CE2 3.5Å; L85-F98 HydrophobicContact CD2-CZ 3.37Å; L85-F98 HydrophobicContact CG-CE2 4.4Å; I87-F98 HydrophobicContact CG1-CD2 4.06Å; F98-M100 HydrophobicContact CE1-CB 3.97Å; F98-M100 HydrophobicContact CZ-CB 4.13Å; F98-M100 HydrophobicContact CZ-SD 4.34Å; F98-Y111 AromaticContact CE1-CD1 3.73Å; F98-Y111 HydrophobicContact CE1-CD1 3.73Å; F98-Y111 AromaticContact CE1-CE1 3.85Å; F98-Y111 HydrophobicContact CE1-CE1 3.85Å; F98-Y111 AromaticContact CZ-CD1 3.85Å; F98-Y111 HydrophobicContact CZ-CD1 3.85Å; F98-Y111 AromaticContact CZ-CE1 3.8Å; F98-Y111 HydrophobicContact CZ-CE1 3.8Å
99	K	97.9	Very high	96.7	Very high	92 Å²	92	55.7 Å²	55.7	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.3	175.6	-171.8	174.9	-177.1	-174.2	0	110.1	L36 L85 S86 N101	L36-K99 CarbonylContact O-C 3.57Å; L36-K99 VanDerWaalsContact O-CA 3.25Å; L36-K99 WeakPolarHBondContact O-CA 3.4Å; L85-K99 CarbonylContact C-O 3.59Å; L85-K99 WeakPolarHBondContact CA-O 3.38Å; S86-K99 PolarHBondContact N-O 3.32Å; S86-K99 PolarHBondContact O-N 3.15Å; K99-N101 WeakPolarHBondContact CE-OD1 3.05Å
100	M	97.3	Very high	96.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.1	173.6	-171.4	163.1	-148.7	0	0	108.9	S35 L36 F81 R84 L85 F98 L103 Y111	S35-M100 CarbonylContact C-O 3.56Å; S35-M100 VanDerWaalsContact CA-O 3.23Å; S35-M100 WeakPolarHBondContact CA-O 3.44Å; L36-M100 HydrophobicContact CB-CB 4.37Å; L36-M100 PolarHBondContact N-O 2.8Å; L36-M100 PolarHBondContact O-N 3.38Å; F81-M100 HydrophobicContact CB-CE 4.16Å; F81-M100 HydrophobicContact CD1-CE 3.53Å; F81-M100 HydrophobicContact CE1-CE 4.38Å; F81-M100 HydrophobicContact CG-CE 4.15Å; R84-M100 WeakPolarHBondContact O-CA 3.45Å; L85-M100 HydrophobicContact CD2-CB 3.69Å; L85-M100 HydrophobicContact CD2-CE 3.74Å; L85-M100 HydrophobicContact CD2-CG 3.59Å; L85-M100 HydrophobicContact CD2-SD 3.71Å; L85-M100 HydrophobicContact CG-CE 4.35Å; F98-M100 HydrophobicContact CE1-CB 3.97Å; F98-M100 HydrophobicContact CZ-CB 4.13Å; F98-M100 HydrophobicContact CZ-SD 4.34Å; M100-L103 HydrophobicContact CB-CD2 4.37Å; M100-L103 HydrophobicContact CG-CD2 4.09Å; M100-L103 HydrophobicContact SD-CD2 4.25Å; M100-Y111 HydrophobicContact SD-CE1 4.09Å; M100-Y111 PolarHBondContact SD-OH 2.82Å; M100-Y111 VanDerWaalsContact SD-OH 3.42Å
101	N	96.7	Very high	96.5	Very high	56 Å²	56	57.3 Å²	57.3	30%	0.299	32%	0.321	S	S	.	.			trans	-95.4	156.7	-178.6	-62.7	-51.1	0	0	0	111.5	S35 R84 K99 L103	S35-N101 PolarHBondContact OG-OD1 2.77Å; R84-N101 PolarHBondContact O-N 3.37Å; K99-N101 WeakPolarHBondContact CE-OD1 3.05Å; N101-L103 PolarHBondContact O-N 3.4Å
102	S	95.4	Very high	96.5	Very high	74 Å²	74	57.6 Å²	57.6	52%	0.517	32%	0.318	S	S	.	.	S	Bend	trans	50.5	58.9	175.3	-54.1	0	0	0	0	111.2	Q34 R84 Q104	Q34-S102 PolarHBondContact O-N 3.04Å; R84-S102 PolarHBondContact NH1-O 3.37Å; S102-Q104 PolarHBondContact O-N 2.83Å
103	L	95.7	Very high	96.5	Very high	16 Å²	16	53.2 Å²	53.2	8%	0.084	29%	0.287	C	S	.	.			trans	-54.9	136	179.7	-73.2	168.9	0	0	0	110.7	V30 S33 Q34 L36 M100 N101 D107	V30-L103 HydrophobicContact CB-CD1 3.77Å; V30-L103 HydrophobicContact CG1-CD1 3.41Å; V30-L103 VanDerWaalsContact CG1-CD1 3.41Å; S33-L103 PolarHBondContact N-O 2.86Å; Q34-L103 WeakPolarHBondContact O-CG 3.23Å; Q34-L103 PolarHBondContact O-N 3.29Å; L36-L103 HydrophobicContact CB-CD1 3.95Å; L36-L103 HydrophobicContact CB-CD2 4.03Å; L36-L103 HydrophobicContact CB-CG 4.36Å; M100-L103 HydrophobicContact CB-CD2 4.37Å; M100-L103 HydrophobicContact CG-CD2 4.09Å; M100-L103 HydrophobicContact SD-CD2 4.25Å; N101-L103 PolarHBondContact O-N 3.4Å; L103-D107 HydrophobicContact CD2-CB 4.05Å
104	Q	94.9	Very high	96.5	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	28%	0.275	S	S	.	.			trans	-108.2	162.3	177	-66.3	175.8	26.1	0	0	108.9	S102 D106 D107	S102-Q104 PolarHBondContact O-N 2.83Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.18Å; Q104-D106 PolarHBondContact O-N 2.95Å; Q104-D107 PolarHBondContact N-OD2 2.9Å; Q104-D107 WeakPolarHBondContact O-CB 3.21Å; Q104-D107 PolarHBondContact O-N 3.26Å
105	A	92.9	Very high	96.2	Very high	76 Å²	76	52 Å²	52	63%	0.628	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.6	-31.5	-178.7	0	0	0	0	0	112.5	D107 T108	A105-D107 PolarHBondContact O-N 3.4Å; A105-T108 WeakPolarHBondContact O-CB 3.42Å; A105-T108 PolarHBondContact O-N 3.22Å; A105-T108 PolarHBondContact O-OG1 3Å
106	D	92.9	Very high	96.1	Very high	91 Å²	91	52.3 Å²	52.3	49%	0.487	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-71.6	-11.9	175.8	70.1	-28.4	0	0	0	113.7	Q104 T108	Q104-D106 WeakPolarHBondContact CB-OD1 3.18Å; Q104-D106 PolarHBondContact O-N 2.95Å; D106-T108 PolarHBondContact O-N 3.12Å
107	D	95.3	Very high	96	Very high	6 Å²	6	55 Å²	55	3%	0.032	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-79.4	-0.5	172.6	-62.4	-44.3	0	0	0	113.6	R56 R84 L103 Q104 A105 A109 Y111	R56-D107 IonicContact CZ-OD1 3.35Å; R56-D107 IonicContact NH1-OD1 3.15Å; R56-D107 PolarHBondContact NH1-OD1 3.15Å; R84-D107 IonicContact CZ-OD1 3.86Å; R84-D107 IonicContact CZ-OD2 2.94Å; R84-D107 IonicContact NH1-OD1 2.82Å; R84-D107 IonicContact NH1-OD2 3.86Å; R84-D107 PolarHBondContact NH1-OD2 3.14Å; R84-D107 IonicContact NH2-OD1 3.45Å; R84-D107 PolarHBondContact NH2-OD1 2.73Å; R84-D107 IonicContact NH2-OD2 2.8Å; R84-D107 PolarHBondContact NH2-OD2 2.88Å; R84-D107 VanDerWaalsContact NH2-OD2 3.15Å; L103-D107 HydrophobicContact CD2-CB 4.05Å; Q104-D107 PolarHBondContact N-OD2 2.9Å; Q104-D107 WeakPolarHBondContact O-CB 3.21Å; Q104-D107 PolarHBondContact O-N 3.26Å; A105-D107 PolarHBondContact O-N 3.4Å; D107-A109 PolarHBondContact O-N 2.86Å; D107-Y111 PolarHBondContact O-OH 3.26Å; D107-Y111 VanDerWaalsContact O-OH 3.06Å
108	T	94.8	Very high	95.8	Very high	97 Å²	97	54.6 Å²	54.6	60%	0.595	30%	0.302	S	S	*	.			trans	-62.9	102.2	175.1	-55.5	0	0	0	0	110.1	P59 A105 D106	P59-T108 WeakPolarHBondContact CD-O 2.94Å; A105-T108 WeakPolarHBondContact O-CB 3.42Å; A105-T108 PolarHBondContact O-N 3.22Å; A105-T108 PolarHBondContact O-OG1 3Å; D106-T108 PolarHBondContact O-N 3.12Å
109	A	95.6	Very high	95.7	Very high	25 Å²	25	57.7 Å²	57.7	21%	0.207	32%	0.319	C	S	.	.	S	Bend	trans	-159	163.5	-175.9	0	0	0	0	0	111	R56 Q57 D107 Y111	R56-A109 HydrophobicContact CB-CB 3.91Å; R56-A109 HydrophobicContact CG-CB 4.2Å; Q57-A109 WeakPolarHBondContact O-CA 3.4Å; Q57-A109 WeakPolarHBondContact O-CB 3.33Å; D107-A109 PolarHBondContact O-N 2.86Å; A109-Y111 HydrophobicContact CB-CE2 4.09Å; A109-Y111 WeakPolarHBondContact O-CD2 3.34Å
110	I	95.7	Very high	95.5	Very high	98 Å²	98	55.6 Å²	55.6	50%	0.503	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.7	163.5	-51.4	174.8	0	0	0	107.6	R56 Q57 Y112	R56-I110 CarbonylContact C-O 3.45Å; R56-I110 WeakPolarHBondContact CA-O 3.43Å; Q57-I110 PolarHBondContact N-O 3.11Å; Q57-I110 PolarHBondContact O-N 2.9Å; I110-Y112 HydrophobicContact CB-CE2 3.88Å; I110-Y112 HydrophobicContact CG2-CD1 4.33Å; I110-Y112 HydrophobicContact CG2-CD2 4.44Å; I110-Y112 HydrophobicContact CG2-CE1 3.6Å; I110-Y112 HydrophobicContact CG2-CE2 3.74Å; I110-Y112 WeakPolarHBondContact CG2-OH 3.43Å
111	Y	97	Very high	95.4	Very high	19 Å²	19	59.3 Å²	59.3	8%	0.075	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.3	179.7	-70.2	-104	0	0	0	109.3	Q24 L36 I38 R56 L66 F98 M100 D107 A109	Q24-Y111 PolarHBondContact NE2-O 3.3Å; L36-Y111 HydrophobicContact CD2-CD1 4.31Å; L36-Y111 HydrophobicContact CD2-CD2 3.82Å; L36-Y111 HydrophobicContact CD2-CE1 4.17Å; L36-Y111 HydrophobicContact CD2-CE2 3.7Å; L36-Y111 HydrophobicContact CD2-CG 4.14Å; I38-Y111 VanDerWaalsContact CD1-CB 3.47Å; I38-Y111 HydrophobicContact CD1-CG 3.98Å; R56-Y111 HydrophobicContact CB-CD1 3.98Å; R56-Y111 HydrophobicContact CB-CE1 4.1Å; R56-Y111 HydrophobicContact CB-CG 4.27Å; L66-Y111 HydrophobicContact CD1-CD1 3.6Å; L66-Y111 HydrophobicContact CD1-CE1 3.6Å; F98-Y111 AromaticContact CE1-CD1 3.73Å; F98-Y111 HydrophobicContact CE1-CD1 3.73Å; F98-Y111 AromaticContact CE1-CE1 3.85Å; F98-Y111 HydrophobicContact CE1-CE1 3.85Å; F98-Y111 AromaticContact CZ-CD1 3.85Å; F98-Y111 HydrophobicContact CZ-CD1 3.85Å; F98-Y111 AromaticContact CZ-CE1 3.8Å; F98-Y111 HydrophobicContact CZ-CE1 3.8Å; M100-Y111 HydrophobicContact SD-CE1 4.09Å; M100-Y111 PolarHBondContact SD-OH 2.82Å; M100-Y111 VanDerWaalsContact SD-OH 3.42Å; D107-Y111 PolarHBondContact O-OH 3.26Å; D107-Y111 VanDerWaalsContact O-OH 3.06Å; A109-Y111 HydrophobicContact CB-CE2 4.09Å; A109-Y111 WeakPolarHBondContact O-CD2 3.34Å
112	Y	97.3	Very high	95.3	Very high	81 Å²	81	59.5 Å²	59.5	32%	0.318	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.7	-179.5	-53.8	-80.6	0	0	0	111	Q24 W54 V55 Q57 I110	Q24-Y112 VanDerWaalsContact OE1-CA 3.27Å; W54-Y112 WeakPolarHBondContact CA-O 3.3Å; V55-Y112 HydrophobicContact CG2-CD2 4.31Å; V55-Y112 PolarHBondContact N-O 2.7Å; V55-Y112 PolarHBondContact O-N 3.08Å; Q57-Y112 HydrophobicContact CB-CE2 3.97Å; I110-Y112 HydrophobicContact CB-CE2 3.88Å; I110-Y112 HydrophobicContact CG2-CD1 4.33Å; I110-Y112 HydrophobicContact CG2-CD2 4.44Å; I110-Y112 HydrophobicContact CG2-CE1 3.6Å; I110-Y112 HydrophobicContact CG2-CE2 3.74Å; I110-Y112 WeakPolarHBondContact CG2-OH 3.43Å
113	C	98.1	Very high	95.3	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	144.2	161.1	58.4	0	0	0	0	109.9	L22 Q24 C40 V52 H53 W54	L22-C113 HydrophobicContact CD2-CB 4.23Å; L22-C113 WeakPolarHBondContact CD2-O 3.29Å; Q24-C113 WeakPolarHBondContact CG-SG 3.39Å; Q24-C113 VanDerWaalsContact OE1-N 3.09Å; C40-C113 HydrophobicContact CB-CB 3.51Å; C40-C113 WeakPolarHBondContact CB-SG 3.48Å; C40-C113 WeakPolarHBondContact SG-CB 3.21Å; C40-C113 CovalentContact SG-SG 2.03Å; C40-C113 PolarHBondContact SG-SG 2.6Å; V52-C113 HydrophobicContact CG1-CB 3.95Å; H53-C113 CarbonylContact O-C 3.52Å; H53-C113 WeakPolarHBondContact O-CA 3.06Å; W54-C113 HydrophobicContact CD2-CB 4.17Å; W54-C113 HydrophobicContact CE3-CB 3.98Å; W54-C113 HydrophobicContact CH2-CB 3.82Å; W54-C113 HydrophobicContact CZ2-CB 3.97Å; W54-C113 HydrophobicContact CZ3-CB 3.8Å
114	A	97.3	Very high	95.3	Very high	35 Å²	35	61.9 Å²	61.9	29%	0.289	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.5	-179.4	0	0	0	0	0	110.2	V52 H53	V52-A114 CarbonylContact C-O 3.59Å; V52-A114 WeakPolarHBondContact CA-O 3.41Å; H53-A114 HydrophobicContact CB-CB 4.4Å; H53-A114 PolarHBondContact N-O 3.42Å; H53-A114 PolarHBondContact O-N 2.94Å
115	K	91.4	Very high	95.3	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	33%	0.333	S	S	.	.			trans	-95.2	0	170.6	-178.5	-160	173.3	-164.1	0	109	V20 F45 Y50	V20-K115 HydrophobicContact CG1-CD 4.25Å; F45-K115 HydrophobicContact CD1-CD 3.78Å; F45-K115 HydrophobicContact CD2-CD 4.06Å; F45-K115 HydrophobicContact CD2-CG 4.33Å; F45-K115 HydrophobicContact CE1-CB 4.18Å; F45-K115 HydrophobicContact CE1-CD 3.82Å; F45-K115 HydrophobicContact CE1-CG 4.15Å; F45-K115 HydrophobicContact CE2-CB 4.5Å; F45-K115 HydrophobicContact CE2-CD 4.11Å; F45-K115 HydrophobicContact CE2-CG 3.94Å; F45-K115 HydrophobicContact CG-CD 3.87Å; F45-K115 HydrophobicContact CZ-CB 3.92Å; F45-K115 HydrophobicContact CZ-CD 3.97Å; F45-K115 HydrophobicContact CZ-CG 3.82Å; Y50-K115 HydrophobicContact CG-CD 4.47Å; Y50-K115 HydrophobicContact CG-CG 4.5Å

Retrieved 115 of 115 residues in 109.4 ms (Link to these results)

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