A0A075B5R5_MOUSE Loading...

Immunoglobulin heavy variable 4-1

AlphaFold DB , UniProt , Accession A0A075B5R5, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-1, Length 116 aa.

						>A0A075B5R5_MOUSE|A0A075B5R5|Ighv4-1
MDFGLIFFIVALLKGVQCEVKLLQSGGGLVQPGGSLKLSCAASGIDFSRYWMSWVRRAPGKGLEWIGEINPDSSTINYAPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCAR
					

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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	55.1	Low	70.3	Confident	205 Å²	205	117 Å²	117	100%	1.01	61%	0.607	S	S	*	*				0	100.3	0	-151.3	166.7	75.2	0	0	105.7	F3	M1-F3 PolarHBondContact O-N 3.23Å
2	D	67.3	Low	70.2	Confident	121 Å²	121	119.3 Å²	119.3	65%	0.647	62%	0.62	S	S	*	*			trans	-82.8	100.3	-163.3	-168.1	-7.9	0	0	0	111.1	G4 L5	D2-G4 PolarHBondContact O-N 2.97Å; D2-G4 PolarHBondContact OD1-N 3.43Å; D2-L5 PolarHBondContact O-N 2.81Å
3	F	69.2	Low	70	Confident	160 Å²	160	120.3 Å²	120.3	70%	0.702	63%	0.625	S	S	*	*	H	α-helix	trans	-60.4	-22.1	176.5	-66.1	-80.5	0	0	0	112.5	M1 F7	M1-F3 PolarHBondContact O-N 3.23Å; F3-F7 PolarHBondContact O-N 3.21Å
4	G	75	Confident	69.6	Low	34 Å²	34	124.5 Å²	124.5	35%	0.351	64%	0.636	S	S	.	*	H	α-helix	trans	-65.8	-41.1	178.6	0	0	0	0	0	112.8	D2 F7 F8	D2-G4 PolarHBondContact O-N 2.97Å; D2-G4 PolarHBondContact OD1-N 3.43Å; G4-F7 PolarHBondContact O-N 2.97Å; G4-F8 WeakPolarHBondContact O-CD2 3.32Å; G4-F8 PolarHBondContact O-N 3.44Å
5	L	75.6	Confident	69.3	Low	113 Å²	113	119.6 Å²	119.6	59%	0.592	63%	0.629	S	S	*	*	H	α-helix	trans	-66.9	-40.8	-178.4	-170.9	69.1	0	0	0	112	D2 F8 I9	D2-L5 PolarHBondContact O-N 2.81Å; L5-F8 PolarHBondContact O-N 3.3Å; L5-I9 HydrophobicContact CG-CD1 4.2Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 2.98Å
6	I	74.2	Confident	69.3	Low	107 Å²	107	120.2 Å²	120.2	55%	0.549	64%	0.639	S	S	.	*	H	α-helix	trans	-63.6	-43	177.1	-63	175.3	0	0	0	110.3	I9 V10	I6-I9 PolarHBondContact O-N 2.83Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 3.12Å
7	F	69.6	Low	68.8	Low	161 Å²	161	121.8 Å²	121.8	71%	0.706	64%	0.641	S	S	*	*	H	α-helix	trans	-64.1	-41.2	177.9	-166.3	-91.5	0	0	0	112.3	F3 G4 V10 A11	F3-F7 PolarHBondContact O-N 3.21Å; G4-F7 PolarHBondContact O-N 2.97Å; F7-V10 PolarHBondContact O-N 3.24Å; F7-A11 PolarHBondContact O-N 2.98Å; F7-A11 VanDerWaalsContact O-N 3.12Å
8	F	71.9	Confident	69.1	Low	150 Å²	150	121.4 Å²	121.4	66%	0.658	65%	0.649	S	S	*	*	H	α-helix	trans	-60.5	-43.1	173.8	-99.3	-81.3	0	0	0	112.5	G4 L5 A11 L12	G4-F8 WeakPolarHBondContact O-CD2 3.32Å; G4-F8 PolarHBondContact O-N 3.44Å; L5-F8 PolarHBondContact O-N 3.3Å; F8-A11 PolarHBondContact O-N 3.21Å; F8-L12 WeakPolarHBondContact O-CG 3.36Å; F8-L12 PolarHBondContact O-N 3.28Å
9	I	72.6	Confident	70.1	Confident	86 Å²	86	121.1 Å²	121.1	44%	0.441	64%	0.643	S	S	.	*	H	α-helix	trans	-63.4	-44.7	177.9	-65.9	164.5	0	0	0	110.8	L5 I6 A11 L12 L13	L5-I9 HydrophobicContact CG-CD1 4.2Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 2.98Å; I6-I9 PolarHBondContact O-N 2.83Å; I9-A11 VanDerWaalsContact C-N 3.25Å; I9-A11 PolarHBondContact O-N 3.35Å; I9-L12 PolarHBondContact O-N 3.02Å; I9-L12 VanDerWaalsContact O-N 3.17Å; I9-L13 HydrophobicContact CG2-CD1 4.25Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 3.18Å
10	V	71.9	Confident	71.2	Confident	97 Å²	97	118.2 Å²	118.2	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-61.4	-34.4	177.9	176.4	0	0	0	0	111.6	I6 F7 L13	I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 3.12Å; F7-V10 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 3.34Å
11	A	71	Confident	72.3	Confident	53 Å²	53	117.6 Å²	117.6	44%	0.438	62%	0.622	S	S	.	*	H	α-helix	trans	-68.6	-34.1	176.7	0	0	0	0	0	113.5	F7 F8 I9 L13	F7-A11 PolarHBondContact O-N 2.98Å; F7-A11 VanDerWaalsContact O-N 3.12Å; F8-A11 PolarHBondContact O-N 3.21Å; I9-A11 VanDerWaalsContact C-N 3.25Å; I9-A11 PolarHBondContact O-N 3.35Å; A11-L13 VanDerWaalsContact C-N 3.32Å
12	L	69.1	Low	74.4	Confident	144 Å²	144	110 Å²	110	75%	0.754	59%	0.585	S	S	*	*	H	α-helix	trans	-73.1	-22.9	177.9	-66.3	173.9	0	0	0	113	F8 I9 K14	F8-L12 WeakPolarHBondContact O-CG 3.36Å; F8-L12 PolarHBondContact O-N 3.28Å; I9-L12 PolarHBondContact O-N 3.02Å; I9-L12 VanDerWaalsContact O-N 3.17Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.07Å
13	L	67.9	Low	75.8	Confident	133 Å²	133	109.9 Å²	109.9	70%	0.696	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	14	178.9	-60.4	173.2	0	0	0	113.8	I9 V10 A11 G15	I9-L13 HydrophobicContact CG2-CD1 4.25Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.34Å; A11-L13 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.31Å
14	K	63.4	Low	77.2	Confident	179 Å²	179	105.7 Å²	105.7	78%	0.778	57%	0.567	S	S	*	*			trans	-69.4	74.6	165.3	-66.3	-161.5	-177.9	-172.8	0	108.8	L12	L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.07Å
15	G	65.4	Low	78.2	Confident	51 Å²	51	107.1 Å²	107.1	53%	0.526	57%	0.571	S	S	.	*			trans	-51.8	141	179.1	0	0	0	0	0	110.7	L13 Q17	L13-G15 PolarHBondContact O-N 3.31Å; G15-Q17 PolarHBondContact O-N 2.91Å
16	V	68.9	Low	79.2	Confident	129 Å²	129	103.7 Å²	103.7	78%	0.782	56%	0.563	S	S	*	*			trans	-61.6	105.3	172	176.1	0	0	0	0	107.4	C18	V16-C18 PolarHBondContact O-N 3.05Å
17	Q	61.8	Low	80	Confident	147 Å²	147	101.4 Å²	101.4	69%	0.687	57%	0.566	S	S	*	*			trans	-75.9	91.3	172.2	-66.3	-78	-48.5	0	0	107.4	G15 E19	G15-Q17 PolarHBondContact O-N 2.91Å; Q17-E19 PolarHBondContact O-N 3.06Å
18	C	73.2	Confident	81	Confident	116 Å²	116	96.5 Å²	96.5	78%	0.784	56%	0.561	S	S	*	*			trans	-74.8	49	169.9	-79.5	0	0	0	0	111.2	V16	V16-C18 PolarHBondContact O-N 3.05Å
19	E	88.5	Confident	82	Confident	115 Å²	115	98.1 Å²	98.1	54%	0.537	58%	0.575	S	S	.	*			trans	-92.5	137.5	177.7	-165.2	-176.2	-171.5	0	0	110	Q17 K21	Q17-E19 PolarHBondContact O-N 3.06Å; E19-K21 PolarHBondContact O-N 3.39Å
20	V	92.3	Very high	82.9	Confident	63 Å²	63	96.6 Å²	96.6	38%	0.382	57%	0.57	S	S	.	*			trans	-67.8	126.3	170.8	175.3	0	0	0	0	109.2	S43 I45	V20-S43 WeakPolarHBondContact CA-O 3.38Å; V20-I45 HydrophobicContact CB-CG2 3.78Å; V20-I45 HydrophobicContact CG1-CG2 3.33Å; V20-I45 HydrophobicContact CG2-CG2 3.21Å
21	K	95.4	Very high	83.9	Confident	106 Å²	106	99.9 Å²	99.9	46%	0.461	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	134.7	175.9	-54.4	179.7	-178.2	-179.2	0	110.8	E19 A42 S43	E19-K21 PolarHBondContact O-N 3.39Å; K21-A42 CarbonylContact O-C 3.53Å; K21-A42 WeakPolarHBondContact O-CA 3.42Å; K21-S43 PolarHBondContact N-O 3.37Å; K21-S43 PolarHBondContact O-N 3.03Å
22	L	97.5	Very high	85	Confident	44 Å²	44	102.7 Å²	102.7	23%	0.23	59%	0.593	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123	106.2	175.6	-64.5	-176.5	0	0	0	108.1	Q24 A41 A42 I45 M52 C114	L22-Q24 PolarHBondContact O-NE2 2.99Å; L22-Q24 PolarHBondContact O-OE1 3.34Å; L22-A41 WeakPolarHBondContact CA-O 3.28Å; L22-A42 HydrophobicContact CD2-CB 3.55Å; L22-I45 HydrophobicContact CD2-CD1 4.22Å; L22-M52 HydrophobicContact CD1-CE 4.35Å; L22-M52 HydrophobicContact CD2-CE 3.99Å; L22-C114 WeakPolarHBondContact CD1-O 3.38Å
23	L	97.4	Very high	86.2	Confident	120 Å²	120	98.4 Å²	98.4	63%	0.628	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.3	108	-174.1	179.6	63.7	0	0	0	110.9	C40 A41	L23-C40 VanDerWaalsContact O-CA 3.32Å; L23-C40 WeakPolarHBondContact O-CA 3.14Å; L23-A41 PolarHBondContact N-O 3.39Å; L23-A41 PolarHBondContact O-N 3.28Å
24	Q	98.2	Very high	87.5	Confident	72 Å²	72	93.2 Å²	93.2	34%	0.336	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83	140.5	178.2	-53.2	81.3	5	0	0	111.6	L22 S39 C40 W54 C114	L22-Q24 PolarHBondContact O-NE2 2.99Å; L22-Q24 PolarHBondContact O-OE1 3.34Å; Q24-S39 CarbonylContact C-O 3.59Å; Q24-S39 VanDerWaalsContact CA-O 3.29Å; Q24-S39 WeakPolarHBondContact CA-O 3.2Å; Q24-C40 HydrophobicContact CG-CB 4.42Å; Q24-W54 HydrophobicContact CG-CH2 4.42Å; Q24-W54 HydrophobicContact CG-CZ3 4.25Å; Q24-C114 PolarHBondContact NE2-SG 2.89Å
25	S	97.5	Very high	89	Confident	64 Å²	64	88.7 Å²	88.7	45%	0.448	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.4	173.4	-179	60.4	0	0	0	0	111.4	G27 L38 S39	S25-G27 VanDerWaalsContact C-N 3.32Å; S25-L38 WeakPolarHBondContact O-CA 3.43Å; S25-S39 PolarHBondContact N-O 2.89Å; S25-S39 PolarHBondContact O-N 2.66Å
26	G	94.7	Very high	90.4	Very high	41 Å²	41	87.9 Å²	87.9	42%	0.423	54%	0.536	S	S	.	.			trans	82.6	5.3	-179.3	0	0	0	0	0	114.7	L36 L38	G26-L36 VanDerWaalsContact O-CD1 3.23Å; G26-L36 WeakPolarHBondContact O-CD1 3.39Å; G26-L38 WeakPolarHBondContact O-CD2 3.41Å
27	G	91.1	Very high	91.8	Very high	59 Å²	59	86.5 Å²	86.5	61%	0.608	52%	0.52	S	S	*	.			trans	-68.5	162.9	169.2	0	0	0	0	0	112	S25	S25-G27 VanDerWaalsContact C-N 3.32Å
28	G	92.1	Very high	93.5	Very high	57 Å²	57	80 Å²	80	59%	0.588	49%	0.49	S	S	*	.			trans	164	174.1	178.4	0	0	0	0	0	112.1
29	L	91.4	Very high	94.7	Very high	184 Å²	184	75.7 Å²	75.7	96%	0.963	46%	0.461	S	S	*	.			trans	-81.3	126	171.7	-64.7	173.8	0	0	0	109.1
30	V	93.1	Very high	95.2	Very high	54 Å²	54	70.2 Å²	70.2	33%	0.327	44%	0.435	S	S	.	.			trans	-124.5	149.7	172.1	-65.3	0	0	0	0	109.2	L36 V104	V30-L36 HydrophobicContact CG1-CB 4.45Å; V30-L36 HydrophobicContact CG1-CD1 3.82Å; V30-V104 HydrophobicContact CG2-CB 3.97Å; V30-V104 HydrophobicContact CG2-CG1 3.74Å; V30-V104 HydrophobicContact CG2-CG2 4.15Å
31	Q	92.5	Very high	95.5	Very high	167 Å²	167	69.2 Å²	69.2	78%	0.78	43%	0.433	S	S	*	.			trans	-66.5	146.1	173.2	-66.3	-178.9	-1.4	0	0	110	G33 G34	Q31-G33 PolarHBondContact O-N 3.33Å; Q31-G34 PolarHBondContact O-N 2.68Å
32	P	93.2	Very high	95.6	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	137.9	171.7	-26.4	34.8	0	0	0	111.7	G34 V104	P32-G34 PolarHBondContact O-N 2.71Å; P32-V104 CarbonylContact C-O 3.43Å; P32-V104 VanDerWaalsContact CA-O 3.32Å; P32-V104 WeakPolarHBondContact CA-O 3.29Å
33	G	94.5	Very high	95.5	Very high	53 Å²	53	65.3 Å²	65.3	55%	0.546	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-12.1	-174.5	0	0	0	0	0	114.5	Q31 V104	Q31-G33 PolarHBondContact O-N 3.33Å; G33-V104 PolarHBondContact N-O 3.1Å
34	G	95	Very high	95.4	Very high	25 Å²	25	62.4 Å²	62.4	26%	0.258	42%	0.422	S	S	.	.			trans	-69.3	-177	173.8	0	0	0	0	0	113.7	Q31 P32 K103 V104	Q31-G34 PolarHBondContact O-N 2.68Å; P32-G34 PolarHBondContact O-N 2.71Å; G34-K103 PolarHBondContact O-N 2.79Å; G34-V104 WeakPolarHBondContact O-CG2 3.47Å; G34-V104 PolarHBondContact O-N 2.93Å
35	S	95.2	Very high	95.1	Very high	84 Å²	84	60 Å²	60	59%	0.587	41%	0.412	S	S	*	.			trans	-123	147.1	177.7	-62	0	0	0	0	110.1	M101	S35-M101 VanDerWaalsContact CA-O 3.29Å; S35-M101 WeakPolarHBondContact CA-O 3.23Å; S35-M101 WeakPolarHBondContact CB-O 3.47Å
36	L	95.8	Very high	95	Very high	34 Å²	34	60 Å²	60	18%	0.178	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145	178	-170.2	65.7	0	0	0	109.2	G26 V30 L38 M101 V104	G26-L36 VanDerWaalsContact O-CD1 3.23Å; G26-L36 WeakPolarHBondContact O-CD1 3.39Å; V30-L36 HydrophobicContact CG1-CB 4.45Å; V30-L36 HydrophobicContact CG1-CD1 3.82Å; L36-L38 HydrophobicContact CD2-CD2 3.84Å; L36-L38 HydrophobicContact CG-CD2 4.1Å; L36-M101 HydrophobicContact CB-CB 4.44Å; L36-M101 HydrophobicContact CB-SD 4.42Å; L36-M101 HydrophobicContact CD2-SD 4.35Å; L36-M101 PolarHBondContact N-O 2.8Å; L36-M101 PolarHBondContact O-N 3.33Å; L36-V104 HydrophobicContact CB-CG2 4.27Å
37	K	97.2	Very high	95.1	Very high	100 Å²	100	58.1 Å²	58.1	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.1	174.1	-178	177.4	176.7	176.6	0	109.4	L99	K37-L99 WeakPolarHBondContact CA-O 3.45Å
38	L	98.3	Very high	95.4	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.052	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	149.9	171.1	-51.5	-174.5	0	0	0	110	S25 G26 L36 W54 Y98 L99 M101 Y112	S25-L38 WeakPolarHBondContact O-CA 3.43Å; G26-L38 WeakPolarHBondContact O-CD2 3.41Å; L36-L38 HydrophobicContact CD2-CD2 3.84Å; L36-L38 HydrophobicContact CG-CD2 4.1Å; L38-W54 HydrophobicContact CB-CH2 3.89Å; L38-W54 HydrophobicContact CB-CZ2 4.28Å; L38-W54 HydrophobicContact CB-CZ3 4.44Å; L38-W54 HydrophobicContact CD1-CZ3 4.37Å; L38-Y98 VanDerWaalsContact O-CA 3.29Å; L38-Y98 WeakPolarHBondContact O-CA 3.24Å; L38-L99 HydrophobicContact CB-CB 4.22Å; L38-L99 HydrophobicContact CD1-CD2 4.35Å; L38-L99 PolarHBondContact N-O 3.06Å; L38-L99 PolarHBondContact O-N 3.12Å; L38-M101 HydrophobicContact CD1-CE 3.5Å; L38-M101 VanDerWaalsContact CD1-CE 3.5Å; L38-M101 HydrophobicContact CG-CE 3.91Å; L38-Y112 VanDerWaalsContact CD1-CB 3.4Å; L38-Y112 HydrophobicContact CD1-CD1 3.92Å; L38-Y112 HydrophobicContact CD1-CD2 3.84Å; L38-Y112 HydrophobicContact CD1-CG 3.45Å; L38-Y112 VanDerWaalsContact CD1-CG 3.45Å
39	S	98.6	Very high	95.6	Very high	26 Å²	26	63 Å²	63	18%	0.182	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.8	174.6	-51.1	0	0	0	0	109.4	Q24 S25 L97 Y98	Q24-S39 CarbonylContact C-O 3.59Å; Q24-S39 VanDerWaalsContact CA-O 3.29Å; Q24-S39 WeakPolarHBondContact CA-O 3.2Å; S25-S39 PolarHBondContact N-O 2.89Å; S25-S39 PolarHBondContact O-N 2.66Å; S39-L97 CarbonylContact C-O 3.57Å; S39-L97 WeakPolarHBondContact CA-O 3.37Å; S39-Y98 VanDerWaalsContact OG-CD1 3.28Å; S39-Y98 WeakPolarHBondContact OG-CD1 3.49Å; S39-Y98 WeakPolarHBondContact OG-CE1 3.45Å
40	C	98.6	Very high	95.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	107.9	173.9	163.1	0	0	0	0	109.2	L23 Q24 W54 T96 L97 C114	L23-C40 VanDerWaalsContact O-CA 3.32Å; L23-C40 WeakPolarHBondContact O-CA 3.14Å; Q24-C40 HydrophobicContact CG-CB 4.42Å; C40-W54 HydrophobicContact CB-CH2 3.75Å; C40-W54 HydrophobicContact CB-CZ2 3.81Å; C40-T96 CarbonylContact O-C 3.58Å; C40-T96 VanDerWaalsContact O-CA 3.29Å; C40-T96 WeakPolarHBondContact O-CA 3.48Å; C40-L97 HydrophobicContact CB-CB 4.22Å; C40-L97 PolarHBondContact N-O 3.5Å; C40-L97 PolarHBondContact O-N 2.96Å; C40-C114 HydrophobicContact CB-CB 3.45Å; C40-C114 VanDerWaalsContact CB-CB 3.45Å; C40-C114 WeakPolarHBondContact CB-SG 3.45Å; C40-C114 WeakPolarHBondContact SG-CB 3.46Å; C40-C114 CovalentContact SG-SG 2Å; C40-C114 PolarHBondContact SG-SG 3.31Å
41	A	98.1	Very high	96.1	Very high	41 Å²	41	60.2 Å²	60.2	34%	0.339	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.3	177.3	0	0	0	0	0	110	L22 L23	L22-A41 WeakPolarHBondContact CA-O 3.28Å; L23-A41 PolarHBondContact N-O 3.39Å; L23-A41 PolarHBondContact O-N 3.28Å
42	A	97.8	Very high	96.4	Very high	9 Å²	9	52.2 Å²	52.2	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.2	178.9	0	0	0	0	0	111.7	K21 L22 I45 F47 N95	K21-A42 CarbonylContact O-C 3.53Å; K21-A42 WeakPolarHBondContact O-CA 3.42Å; L22-A42 HydrophobicContact CD2-CB 3.55Å; A42-I45 HydrophobicContact CB-CD1 3.94Å; A42-I45 HydrophobicContact CB-CG1 4.04Å; A42-F47 HydrophobicContact CB-CB 4.25Å; A42-F47 HydrophobicContact CB-CD2 3.51Å; A42-F47 HydrophobicContact CB-CE2 4.23Å; A42-F47 HydrophobicContact CB-CG 4.22Å; A42-N95 HydrophobicContact CB-CB 4.46Å; A42-N95 PolarHBondContact N-O 2.89Å; A42-N95 WeakPolarHBondContact O-CB 3.48Å
43	S	95.8	Very high	96.6	Very high	60 Å²	60	47.5 Å²	47.5	42%	0.42	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.4	173.7	61	0	0	0	0	110.5	V20 K21 I45	V20-S43 WeakPolarHBondContact CA-O 3.38Å; K21-S43 PolarHBondContact N-O 3.37Å; K21-S43 PolarHBondContact O-N 3.03Å; S43-I45 PolarHBondContact O-N 3.45Å
44	G	94	Very high	96.8	Very high	58 Å²	58	45 Å²	45	60%	0.598	25%	0.254	S	S	*	.	S	Bend	trans	71.7	5.4	-174.7	0	0	0	0	0	114.6
45	I	92.9	Very high	97	Very high	23 Å²	23	45 Å²	45	12%	0.118	25%	0.249	C	C	.	.	S	Bend	trans	-130.7	153.9	173.1	57.7	171.1	0	0	0	111	V20 L22 A42 S43 F47 M52	V20-I45 HydrophobicContact CB-CG2 3.78Å; V20-I45 HydrophobicContact CG1-CG2 3.33Å; V20-I45 HydrophobicContact CG2-CG2 3.21Å; L22-I45 HydrophobicContact CD2-CD1 4.22Å; A42-I45 HydrophobicContact CB-CD1 3.94Å; A42-I45 HydrophobicContact CB-CG1 4.04Å; S43-I45 PolarHBondContact O-N 3.45Å; I45-F47 HydrophobicContact CG1-CB 4.48Å; I45-F47 PolarHBondContact O-N 2.84Å; I45-M52 HydrophobicContact CD1-SD 4.44Å
46	D	95	Very high	97.1	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	23%	0.225	S	C	.	.			trans	-77.5	78.1	162.8	-172.2	-10.3	0	0	0	109.8	S48 R49 Y50	D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 PolarHBondContact OD1-N 2.99Å; D46-S48 PolarHBondContact OD1-OG 2.85Å; D46-R49 PolarHBondContact O-N 2.95Å; D46-R49 WeakPolarHBondContact OD2-CD 3.34Å; D46-R49 WeakPolarHBondContact OD2-CG 3.28Å; D46-R49 IonicContact OD2-CZ 3.47Å; D46-R49 IonicContact OD2-NE 2.66Å; D46-R49 PolarHBondContact OD2-NE 3.33Å; D46-R49 IonicContact OD2-NH2 3.56Å; D46-Y50 WeakPolarHBondContact O-CD2 3.37Å
47	F	96.6	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-47.8	-37.3	-178.3	176.3	-97	0	0	0	112.2	A42 I45 R49 Y50 M52 R90 N92 N95 L97	A42-F47 HydrophobicContact CB-CB 4.25Å; A42-F47 HydrophobicContact CB-CD2 3.51Å; A42-F47 HydrophobicContact CB-CE2 4.23Å; A42-F47 HydrophobicContact CB-CG 4.22Å; I45-F47 HydrophobicContact CG1-CB 4.48Å; I45-F47 PolarHBondContact O-N 2.84Å; F47-R49 PolarHBondContact O-N 2.82Å; F47-Y50 PolarHBondContact O-N 2.87Å; F47-M52 HydrophobicContact CD2-CE 4.26Å; F47-M52 HydrophobicContact CD2-CG 4.01Å; F47-M52 HydrophobicContact CD2-SD 4.05Å; F47-M52 HydrophobicContact CE2-CB 4.5Å; F47-M52 HydrophobicContact CE2-CE 4.1Å; F47-M52 HydrophobicContact CE2-CG 3.63Å; F47-M52 HydrophobicContact CE2-SD 4.15Å; F47-M52 HydrophobicContact CZ-CG 4.22Å; F47-R90 HydrophobicContact CE1-CB 4.24Å; F47-R90 HydrophobicContact CZ-CB 4.1Å; F47-R90 PolarHBondContact O-NH2 2.93Å; F47-N92 WeakPolarHBondContact CD1-OD1 3.46Å; F47-N92 WeakPolarHBondContact CE1-OD1 3.2Å; F47-N95 HydrophobicContact CB-CB 3.96Å; F47-N95 WeakPolarHBondContact CB-OD1 3.35Å; F47-N95 HydrophobicContact CD1-CB 4.32Å; F47-N95 HydrophobicContact CG-CB 4.12Å; F47-L97 HydrophobicContact CE2-CB 4.19Å; F47-L97 HydrophobicContact CZ-CB 4.17Å
48	S	96.7	Very high	97.1	Very high	47 Å²	47	42.9 Å²	42.9	33%	0.329	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.4	-23	-178.1	79.8	0	0	0	0	113.9	D46 P71	D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 PolarHBondContact OD1-N 2.99Å; D46-S48 PolarHBondContact OD1-OG 2.85Å; S48-P71 WeakPolarHBondContact O-CB 3.29Å
49	R	96.6	Very high	96.9	Very high	171 Å²	171	47.5 Å²	47.5	65%	0.645	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-94.9	-6.6	-177	-73.6	-163.1	-64.5	163.6	-1.6	115.1	D46 F47	D46-R49 PolarHBondContact O-N 2.95Å; D46-R49 WeakPolarHBondContact OD2-CD 3.34Å; D46-R49 WeakPolarHBondContact OD2-CG 3.28Å; D46-R49 IonicContact OD2-CZ 3.47Å; D46-R49 IonicContact OD2-NE 2.66Å; D46-R49 PolarHBondContact OD2-NE 3.33Å; D46-R49 IonicContact OD2-NH2 3.56Å; F47-R49 PolarHBondContact O-N 2.82Å
50	Y	97.2	Very high	96.8	Very high	85 Å²	85	50.6 Å²	50.6	33%	0.333	30%	0.295	S	S	.	.	S	Bend	trans	-113.7	148.6	-175.1	-63.2	-80.5	0	0	0	112.8	D46 F47 R90 R116	D46-Y50 WeakPolarHBondContact O-CD2 3.37Å; F47-Y50 PolarHBondContact O-N 2.87Å; Y50-R90 PolarHBondContact O-NH1 2.9Å; Y50-R116 HydrophobicContact CD1-CG 3.99Å; Y50-R116 HydrophobicContact CD2-CG 4.4Å; Y50-R116 VanDerWaalsContact CG-CD 3.4Å; Y50-R116 HydrophobicContact CG-CG 3.77Å
51	W	98.3	Very high	96.6	Very high	95 Å²	95	57.7 Å²	57.7	36%	0.36	33%	0.325	S	S	.	.			trans	-63.8	144.9	158.9	-72.9	75.6	0	0	0	108.7	E68 I69 N70 T75	W51-E68 HydrophobicContact CE3-CB 4.25Å; W51-E68 HydrophobicContact CE3-CG 3.6Å; W51-E68 HydrophobicContact CZ3-CG 3.73Å; W51-I69 WeakPolarHBondContact CA-O 3.48Å; W51-N70 HydrophobicContact CD2-CB 3.62Å; W51-N70 HydrophobicContact CE3-CB 3.72Å; W51-N70 HydrophobicContact CG-CB 4.45Å; W51-N70 HydrophobicContact CH2-CB 3.53Å; W51-N70 HydrophobicContact CZ2-CB 3.37Å; W51-N70 HydrophobicContact CZ3-CB 3.67Å; W51-T75 HydrophobicContact CH2-CG2 3.78Å; W51-T75 HydrophobicContact CZ3-CG2 4.36Å
52	M	98.5	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.1	-179.1	-63.6	-60.9	-54.6	0	0	108.7	L22 I45 F47 E68 I69 L97 A115 R116	L22-M52 HydrophobicContact CD1-CE 4.35Å; L22-M52 HydrophobicContact CD2-CE 3.99Å; I45-M52 HydrophobicContact CD1-SD 4.44Å; F47-M52 HydrophobicContact CD2-CE 4.26Å; F47-M52 HydrophobicContact CD2-CG 4.01Å; F47-M52 HydrophobicContact CD2-SD 4.05Å; F47-M52 HydrophobicContact CE2-CB 4.5Å; F47-M52 HydrophobicContact CE2-CE 4.1Å; F47-M52 HydrophobicContact CE2-CG 3.63Å; F47-M52 HydrophobicContact CE2-SD 4.15Å; F47-M52 HydrophobicContact CZ-CG 4.22Å; M52-E68 CarbonylContact O-C 3.59Å; M52-E68 VanDerWaalsContact O-CA 3.27Å; M52-E68 WeakPolarHBondContact O-CA 2.96Å; M52-I69 HydrophobicContact CB-CG2 4.48Å; M52-I69 PolarHBondContact N-O 2.75Å; M52-I69 PolarHBondContact O-N 2.75Å; M52-L97 HydrophobicContact CB-CD1 3.85Å; M52-L97 HydrophobicContact CB-CD2 3.94Å; M52-L97 HydrophobicContact CB-CG 4.39Å; M52-A115 WeakPolarHBondContact CA-O 3.48Å; M52-A115 WeakPolarHBondContact CE-O 3.27Å; M52-R116 HydrophobicContact CE-CB 4.31Å; M52-R116 HydrophobicContact SD-CB 3.99Å; M52-R116 HydrophobicContact SD-CG 4.06Å
53	S	98.5	Very high	96.4	Very high	13 Å²	13	63.9 Å²	63.9	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.9	-174.8	-73.7	0	0	0	0	112	W65 G67 E68 C114 A115	S53-W65 PolarHBondContact OG-NE1 2.75Å; S53-G67 CarbonylContact C-O 3.55Å; S53-G67 VanDerWaalsContact CA-O 3.29Å; S53-G67 WeakPolarHBondContact CA-O 3.29Å; S53-E68 VanDerWaalsContact OG-CB 3.26Å; S53-E68 WeakPolarHBondContact OG-CB 3.4Å; S53-C114 CarbonylContact O-C 3.58Å; S53-C114 WeakPolarHBondContact O-CA 3.16Å; S53-A115 PolarHBondContact N-O 3.37Å; S53-A115 PolarHBondContact O-N 2.72Å
54	W	98.6	Very high	96.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.9	159.8	-78.9	101.5	0	0	0	110.4	Q24 L38 C40 I66 G67 L97 Y98 L99 Y113 C114	Q24-W54 HydrophobicContact CG-CH2 4.42Å; Q24-W54 HydrophobicContact CG-CZ3 4.25Å; L38-W54 HydrophobicContact CB-CH2 3.89Å; L38-W54 HydrophobicContact CB-CZ2 4.28Å; L38-W54 HydrophobicContact CB-CZ3 4.44Å; L38-W54 HydrophobicContact CD1-CZ3 4.37Å; C40-W54 HydrophobicContact CB-CH2 3.75Å; C40-W54 HydrophobicContact CB-CZ2 3.81Å; W54-I66 HydrophobicContact CB-CB 4.12Å; W54-I66 HydrophobicContact CB-CD1 4.02Å; W54-I66 WeakPolarHBondContact O-CB 3.29Å; W54-I66 PolarHBondContact O-N 3.36Å; W54-G67 PolarHBondContact N-O 3.26Å; W54-L97 HydrophobicContact CD2-CD2 4.28Å; W54-L97 HydrophobicContact CG-CD2 4.16Å; W54-L97 HydrophobicContact CZ2-CD2 4.39Å; W54-L97 VanDerWaalsContact NE1-CG 3.34Å; W54-Y98 PolarHBondContact NE1-O 3.2Å; W54-L99 HydrophobicContact CB-CD1 4.32Å; W54-L99 HydrophobicContact CB-CD2 4.29Å; W54-L99 HydrophobicContact CD2-CB 3.91Å; W54-L99 HydrophobicContact CD2-CD2 4.09Å; W54-L99 HydrophobicContact CD2-CG 4.47Å; W54-L99 HydrophobicContact CE3-CD2 4.34Å; W54-L99 HydrophobicContact CG-CB 4.09Å; W54-L99 HydrophobicContact CG-CD1 4.05Å; W54-L99 HydrophobicContact CG-CD2 4.07Å; W54-L99 HydrophobicContact CG-CG 4.33Å; W54-L99 HydrophobicContact CZ2-CB 4.04Å; W54-Y113 WeakPolarHBondContact CA-O 3.32Å; W54-C114 HydrophobicContact CD2-CB 4.45Å; W54-C114 HydrophobicContact CE3-CB 4.32Å; W54-C114 HydrophobicContact CH2-CB 4.4Å; W54-C114 HydrophobicContact CZ3-CB 4.29Å
55	V	98.2	Very high	96.7	Very high	25 Å²	25	66 Å²	66	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.1	177	-176.2	0	0	0	0	107.4	L63 E64 Y113	V55-L63 HydrophobicContact CG1-CB 3.95Å; V55-L63 HydrophobicContact CG1-CD2 3.84Å; V55-L63 HydrophobicContact CG1-CG 4.4Å; V55-E64 WeakPolarHBondContact CA-O 3.49Å; V55-E64 WeakPolarHBondContact CG1-O 3.45Å; V55-Y113 PolarHBondContact N-O 2.97Å; V55-Y113 PolarHBondContact O-N 2.69Å; V55-Y113 VanDerWaalsContact O-O 3.08Å
56	R	97.1	Very high	96.9	Very high	19 Å²	19	64.9 Å²	64.9	7%	0.072	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.9	173	66.2	179.9	-170.5	174.2	4.5	112.6	L63 E64 I66 D108 A110 L111 Y112	R56-L63 CarbonylContact O-C 3.57Å; R56-L63 WeakPolarHBondContact O-CA 3.47Å; R56-E64 HydrophobicContact CG-CB 4.19Å; R56-E64 IonicContact CZ-OE2 3.61Å; R56-E64 PolarHBondContact N-O 3.35Å; R56-E64 IonicContact NE-OE2 3.33Å; R56-E64 PolarHBondContact NE-OE2 2.8Å; R56-E64 IonicContact NH2-OE1 3.16Å; R56-E64 IonicContact NH2-OE2 3.83Å; R56-E64 PolarHBondContact NH2-OE2 3.23Å; R56-E64 PolarHBondContact O-N 3.17Å; R56-I66 HydrophobicContact CB-CD1 3.88Å; R56-I66 HydrophobicContact CB-CG1 4.46Å; R56-I66 HydrophobicContact CG-CD1 3.94Å; R56-I66 HydrophobicContact CG-CG1 4.03Å; R56-D108 IonicContact NH1-OD1 3.19Å; R56-D108 PolarHBondContact NH1-OD1 3.21Å; R56-A110 HydrophobicContact CB-CB 3.97Å; R56-A110 HydrophobicContact CG-CB 4.42Å; R56-L111 CarbonylContact C-O 3.53Å; R56-L111 WeakPolarHBondContact CA-O 3.19Å; R56-L111 WeakPolarHBondContact CB-O 3.46Å; R56-Y112 HydrophobicContact CB-CD1 3.79Å; R56-Y112 HydrophobicContact CB-CE1 3.77Å; R56-Y112 HydrophobicContact CB-CG 4.26Å; R56-Y112 HydrophobicContact CG-CE1 4.37Å
57	R	97.3	Very high	97.1	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	106.7	172.4	-168.9	175.5	179.9	-175.4	-1.9	109.4	K61 L63 A110 L111 Y113	R57-K61 WeakPolarHBondContact CG-O 3.46Å; R57-K61 PolarHBondContact NE-O 3.35Å; R57-L63 HydrophobicContact CB-CD2 4.05Å; R57-A110 WeakPolarHBondContact O-CA 3.17Å; R57-A110 WeakPolarHBondContact O-CB 3.34Å; R57-L111 PolarHBondContact N-O 3.32Å; R57-L111 PolarHBondContact O-N 3.28Å; R57-Y113 HydrophobicContact CB-CE2 4.39Å
58	A	95.9	Very high	97.2	Very high	20 Å²	20	64.2 Å²	64.2	17%	0.165	34%	0.336	C	S	.	.			trans	-73.9	153	172.9	0	0	0	0	0	110.6	G60 K61 A110	A58-G60 PolarHBondContact O-N 2.81Å; A58-K61 HydrophobicContact CB-CB 4.13Å; A58-K61 HydrophobicContact CB-CD 4.04Å; A58-K61 HydrophobicContact CB-CG 4.23Å; A58-K61 PolarHBondContact O-N 2.79Å; A58-A110 HydrophobicContact CB-CB 4.33Å
59	P	94.9	Very high	97.3	Very high	107 Å²	107	62.1 Å²	62.1	70%	0.695	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	129.5	176.3	-25.8	34.5	0	0	0	111.7	K61 T109	P59-K61 PolarHBondContact O-N 2.85Å; P59-T109 WeakPolarHBondContact CD-O 3.43Å
60	G	96.2	Very high	97.4	Very high	92 Å²	92	54.6 Å²	54.6	95%	0.948	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	3.3	-178.8	0	0	0	0	0	115.6	A58	A58-G60 PolarHBondContact O-N 2.81Å
61	K	94.8	Very high	97.4	Very high	149 Å²	149	52.1 Å²	52.1	65%	0.648	29%	0.288	S	S	*	.	S	Bend	trans	-111	166	177.8	-61.4	-167.8	179.7	178	0	112.2	R57 A58 P59	R57-K61 WeakPolarHBondContact CG-O 3.46Å; R57-K61 PolarHBondContact NE-O 3.35Å; A58-K61 HydrophobicContact CB-CB 4.13Å; A58-K61 HydrophobicContact CB-CD 4.04Å; A58-K61 HydrophobicContact CB-CG 4.23Å; A58-K61 PolarHBondContact O-N 2.79Å; P59-K61 PolarHBondContact O-N 2.85Å
62	G	95.4	Very high	97.4	Very high	53 Å²	53	52.7 Å²	52.7	55%	0.546	30%	0.298	S	S	.	.			trans	-72.8	-177.6	170.8	0	0	0	0	0	112.8
63	L	97.1	Very high	97.3	Very high	126 Å²	126	55.2 Å²	55.2	66%	0.66	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.7	170.5	-67.4	168.1	0	0	0	109.8	V55 R56 R57	V55-L63 HydrophobicContact CG1-CB 3.95Å; V55-L63 HydrophobicContact CG1-CD2 3.84Å; V55-L63 HydrophobicContact CG1-CG 4.4Å; R56-L63 CarbonylContact O-C 3.57Å; R56-L63 WeakPolarHBondContact O-CA 3.47Å; R57-L63 HydrophobicContact CB-CD2 4.05Å
64	E	97.1	Very high	97.3	Very high	68 Å²	68	58.6 Å²	58.6	32%	0.318	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.1	174.3	-176.4	-179.3	-152.2	0	0	108	V55 R56 L82	V55-E64 WeakPolarHBondContact CA-O 3.49Å; V55-E64 WeakPolarHBondContact CG1-O 3.45Å; R56-E64 HydrophobicContact CG-CB 4.19Å; R56-E64 IonicContact CZ-OE2 3.61Å; R56-E64 PolarHBondContact N-O 3.35Å; R56-E64 IonicContact NE-OE2 3.33Å; R56-E64 PolarHBondContact NE-OE2 2.8Å; R56-E64 IonicContact NH2-OE1 3.16Å; R56-E64 IonicContact NH2-OE2 3.83Å; R56-E64 PolarHBondContact NH2-OE2 3.23Å; R56-E64 PolarHBondContact O-N 3.17Å; E64-L82 HydrophobicContact CG-CD1 4.27Å
65	W	97.9	Very high	97.3	Very high	94 Å²	94	61.2 Å²	61.2	36%	0.356	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	135	173.7	177.7	80.6	0	0	0	109.6	S53 G67 E68 N77 A79	S53-W65 PolarHBondContact OG-NE1 2.75Å; W65-G67 VanDerWaalsContact CZ2-CA 3.41Å; W65-E68 HydrophobicContact CZ2-CB 3.97Å; W65-E68 HydrophobicContact CZ2-CG 3.78Å; W65-N77 HydrophobicContact CH2-CB 3.89Å; W65-N77 HydrophobicContact CZ2-CB 4.37Å; W65-A79 HydrophobicContact CE3-CB 3.88Å; W65-A79 HydrophobicContact CZ3-CB 4.18Å; W65-A79 WeakPolarHBondContact O-CB 3.23Å
66	I	98	Very high	97.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-46.5	-179	-65	163.7	0	0	0	110.6	W54 R56 Y78 A79 L82 F86 L99 Y112	W54-I66 HydrophobicContact CB-CB 4.12Å; W54-I66 HydrophobicContact CB-CD1 4.02Å; W54-I66 WeakPolarHBondContact O-CB 3.29Å; W54-I66 PolarHBondContact O-N 3.36Å; R56-I66 HydrophobicContact CB-CD1 3.88Å; R56-I66 HydrophobicContact CB-CG1 4.46Å; R56-I66 HydrophobicContact CG-CD1 3.94Å; R56-I66 HydrophobicContact CG-CG1 4.03Å; I66-Y78 WeakPolarHBondContact O-CA 3.14Å; I66-A79 PolarHBondContact O-N 2.94Å; I66-L82 HydrophobicContact CB-CD1 4.35Å; I66-L82 HydrophobicContact CG1-CD1 3.93Å; I66-L82 HydrophobicContact CG2-CD1 4.44Å; I66-F86 HydrophobicContact CG2-CB 4.24Å; I66-F86 HydrophobicContact CG2-CD2 3.53Å; I66-F86 HydrophobicContact CG2-CE2 4.23Å; I66-F86 HydrophobicContact CG2-CG 4.16Å; I66-L99 HydrophobicContact CD1-CD2 3.92Å; I66-L99 HydrophobicContact CG2-CD1 4.22Å; I66-Y112 HydrophobicContact CD1-CD1 3.63Å; I66-Y112 HydrophobicContact CD1-CE1 3.6Å
67	G	98.3	Very high	97.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	171.8	-173.2	0	0	0	0	0	111.7	S53 W54 W65 N77	S53-G67 CarbonylContact C-O 3.55Å; S53-G67 VanDerWaalsContact CA-O 3.29Å; S53-G67 WeakPolarHBondContact CA-O 3.29Å; W54-G67 PolarHBondContact N-O 3.26Å; W65-G67 VanDerWaalsContact CZ2-CA 3.41Å; G67-N77 CarbonylContact C-O 3.42Å; G67-N77 WeakPolarHBondContact CA-O 3.33Å
68	E	98.4	Very high	97.4	Very high	51 Å²	51	61.3 Å²	61.3	24%	0.238	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156	-179.2	72.4	-171.6	171.1	0	0	111	W51 M52 S53 W65 I76 N77	W51-E68 HydrophobicContact CE3-CB 4.25Å; W51-E68 HydrophobicContact CE3-CG 3.6Å; W51-E68 HydrophobicContact CZ3-CG 3.73Å; M52-E68 CarbonylContact O-C 3.59Å; M52-E68 VanDerWaalsContact O-CA 3.27Å; M52-E68 WeakPolarHBondContact O-CA 2.96Å; S53-E68 VanDerWaalsContact OG-CB 3.26Å; S53-E68 WeakPolarHBondContact OG-CB 3.4Å; W65-E68 HydrophobicContact CZ2-CB 3.97Å; W65-E68 HydrophobicContact CZ2-CG 3.78Å; E68-I76 WeakPolarHBondContact O-CA 3.38Å; E68-I76 WeakPolarHBondContact O-CG2 3.49Å; E68-N77 HydrophobicContact CG-CB 4.05Å; E68-N77 PolarHBondContact N-O 3.16Å; E68-N77 PolarHBondContact O-N 3.03Å; E68-N77 PolarHBondContact OE1-ND2 2.88Å
69	I	98.7	Very high	97.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137	178	-175.6	161.9	0	0	0	110.2	W51 M52 I76 I88 R90 L97	W51-I69 WeakPolarHBondContact CA-O 3.48Å; M52-I69 HydrophobicContact CB-CG2 4.48Å; M52-I69 PolarHBondContact N-O 2.75Å; M52-I69 PolarHBondContact O-N 2.75Å; I69-I76 HydrophobicContact CB-CG1 4.41Å; I69-I76 HydrophobicContact CD1-CD1 3.87Å; I69-I76 HydrophobicContact CD1-CG1 3.91Å; I69-I76 HydrophobicContact CG1-CD1 4.47Å; I69-I76 HydrophobicContact CG1-CG1 3.95Å; I69-I88 HydrophobicContact CB-CG2 3.9Å; I69-I88 HydrophobicContact CG2-CG2 3.63Å; I69-R90 HydrophobicContact CD1-CG 3.93Å; I69-R90 HydrophobicContact CG1-CG 4.33Å; I69-R90 HydrophobicContact CG2-CB 4.41Å; I69-R90 HydrophobicContact CG2-CG 4.46Å; I69-L97 HydrophobicContact CG2-CD1 3.42Å; I69-L97 VanDerWaalsContact CG2-CD1 3.42Å
70	N	98.2	Very high	97.5	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.07	37%	0.366	C	S	.	.			trans	-78.7	166.7	-179.5	75	-22.9	0	0	0	112.3	W51 D72 S73 S74 T75 R90	W51-N70 HydrophobicContact CD2-CB 3.62Å; W51-N70 HydrophobicContact CE3-CB 3.72Å; W51-N70 HydrophobicContact CG-CB 4.45Å; W51-N70 HydrophobicContact CH2-CB 3.53Å; W51-N70 HydrophobicContact CZ2-CB 3.37Å; W51-N70 HydrophobicContact CZ3-CB 3.67Å; N70-D72 PolarHBondContact ND2-OD1 3.14Å; N70-D72 PolarHBondContact O-N 2.73Å; N70-D72 PolarHBondContact OD1-OD1 3.13Å; N70-D72 VanDerWaalsContact OD1-OD1 3.06Å; N70-S73 PolarHBondContact O-N 3.22Å; N70-S73 VanDerWaalsContact OD1-C 3.24Å; N70-S73 WeakPolarHBondContact OD1-CA 3.37Å; N70-S73 PolarHBondContact OD1-N 2.99Å; N70-S74 PolarHBondContact ND2-OG 3.43Å; N70-S74 PolarHBondContact OD1-N 2.82Å; N70-T75 PolarHBondContact N-O 2Å; N70-T75 VanDerWaalsContact N-O 3.13Å; N70-T75 PolarHBondContact ND2-N 2.88Å; N70-T75 PolarHBondContact OD1-N 3.15Å; N70-T75 PolarHBondContact OD1-O 2.98Å; N70-T75 VanDerWaalsContact OD1-O 3.11Å; N70-R90 WeakPolarHBondContact O-CD 3.48Å; N70-R90 PolarHBondContact O-NH1 3.47Å
71	P	98.4	Very high	97.4	Very high	34 Å²	34	61.5 Å²	61.5	22%	0.221	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-49.2	177.8	-43.1	45.3	0	0	0	117.8	S48 R90 N92	S48-P71 WeakPolarHBondContact O-CB 3.29Å; P71-R90 VanDerWaalsContact CA-NH1 3.29Å; P71-R90 PolarHBondContact O-NE 2.75Å; P71-N92 PolarHBondContact O-ND2 3.41Å
72	D	97.4	Very high	97.3	Very high	106 Å²	106	54.6 Å²	54.6	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	0.7	-174.5	68.2	-2.5	0	0	0	112.9	N70 S74	N70-D72 PolarHBondContact ND2-OD1 3.14Å; N70-D72 PolarHBondContact O-N 2.73Å; N70-D72 PolarHBondContact OD1-OD1 3.13Å; N70-D72 VanDerWaalsContact OD1-OD1 3.06Å; D72-S74 VanDerWaalsContact CG-OG 3.23Å; D72-S74 PolarHBondContact O-N 2.83Å; D72-S74 VanDerWaalsContact OD1-CB 3.27Å; D72-S74 WeakPolarHBondContact OD1-CB 2.99Å; D72-S74 PolarHBondContact OD1-N 3.13Å; D72-S74 PolarHBondContact OD1-OG 2.89Å; D72-S74 PolarHBondContact OD2-OG 2.81Å; D72-S74 VanDerWaalsContact OD2-OG 3.07Å
73	S	97.9	Very high	97	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	32%	0.32	S	S	.	.	S	Bend	trans	63.3	13	-175.4	-46.4	0	0	0	0	115.3	N70 T75 R90	N70-S73 PolarHBondContact O-N 3.22Å; N70-S73 VanDerWaalsContact OD1-C 3.24Å; N70-S73 WeakPolarHBondContact OD1-CA 3.37Å; N70-S73 PolarHBondContact OD1-N 2.99Å; S73-T75 VanDerWaalsContact C-N 3.31Å; S73-R90 WeakPolarHBondContact OG-CD 3.35Å; S73-R90 WeakPolarHBondContact OG-CG 3.19Å
74	S	98	Very high	96.8	Very high	84 Å²	84	59.7 Å²	59.7	59%	0.587	33%	0.328	S	S	*	.	S	Bend	trans	-73.4	-23.2	177.8	66.3	0	0	0	0	113.3	N70 D72	N70-S74 PolarHBondContact ND2-OG 3.43Å; N70-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 VanDerWaalsContact CG-OG 3.23Å; D72-S74 PolarHBondContact O-N 2.83Å; D72-S74 VanDerWaalsContact OD1-CB 3.27Å; D72-S74 WeakPolarHBondContact OD1-CB 2.99Å; D72-S74 PolarHBondContact OD1-N 3.13Å; D72-S74 PolarHBondContact OD1-OG 2.89Å; D72-S74 PolarHBondContact OD2-OG 2.81Å; D72-S74 VanDerWaalsContact OD2-OG 3.07Å
75	T	98.4	Very high	96.6	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.344	32%	0.323	S	S	.	.			trans	-128.8	129.3	-179.1	-53.7	0	0	0	0	110.8	W51 N70 S73	W51-T75 HydrophobicContact CH2-CG2 3.78Å; W51-T75 HydrophobicContact CZ3-CG2 4.36Å; N70-T75 PolarHBondContact N-O 2Å; N70-T75 VanDerWaalsContact N-O 3.13Å; N70-T75 PolarHBondContact ND2-N 2.88Å; N70-T75 PolarHBondContact OD1-N 3.15Å; N70-T75 PolarHBondContact OD1-O 2.98Å; N70-T75 VanDerWaalsContact OD1-O 3.11Å; S73-T75 VanDerWaalsContact C-N 3.31Å
76	I	98.3	Very high	96.5	Very high	64 Å²	64	54.6 Å²	54.6	33%	0.328	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.6	174.8	-47.3	178.7	0	0	0	108.3	E68 I69 Y78 I88	E68-I76 WeakPolarHBondContact O-CA 3.38Å; E68-I76 WeakPolarHBondContact O-CG2 3.49Å; I69-I76 HydrophobicContact CB-CG1 4.41Å; I69-I76 HydrophobicContact CD1-CD1 3.87Å; I69-I76 HydrophobicContact CD1-CG1 3.91Å; I69-I76 HydrophobicContact CG1-CD1 4.47Å; I69-I76 HydrophobicContact CG1-CG1 3.95Å; I76-Y78 HydrophobicContact CB-CE2 4.1Å; I76-Y78 HydrophobicContact CG2-CD2 4.08Å; I76-Y78 HydrophobicContact CG2-CE1 4.41Å; I76-Y78 HydrophobicContact CG2-CE2 3.34Å; I76-I88 HydrophobicContact CG2-CB 4.29Å
77	N	98	Very high	96.5	Very high	67 Å²	67	59.1 Å²	59.1	36%	0.358	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.7	174.7	-57.8	-44.8	0	0	0	109.3	W65 G67 E68	W65-N77 HydrophobicContact CH2-CB 3.89Å; W65-N77 HydrophobicContact CZ2-CB 4.37Å; G67-N77 CarbonylContact C-O 3.42Å; G67-N77 WeakPolarHBondContact CA-O 3.33Å; E68-N77 HydrophobicContact CG-CB 4.05Å; E68-N77 PolarHBondContact N-O 3.16Å; E68-N77 PolarHBondContact O-N 3.03Å; E68-N77 PolarHBondContact OE1-ND2 2.88Å
78	Y	98.5	Very high	96.5	Very high	48 Å²	48	59.3 Å²	59.3	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.5	178	-69.1	-87.7	0	0	0	110.6	I66 I76 K83 F86 I88	I66-Y78 WeakPolarHBondContact O-CA 3.14Å; I76-Y78 HydrophobicContact CB-CE2 4.1Å; I76-Y78 HydrophobicContact CG2-CD2 4.08Å; I76-Y78 HydrophobicContact CG2-CE1 4.41Å; I76-Y78 HydrophobicContact CG2-CE2 3.34Å; Y78-K83 HydrophobicContact CD2-CG 4.23Å; Y78-K83 HydrophobicContact CG-CB 4.46Å; Y78-K83 HydrophobicContact CG-CG 4.34Å; Y78-F86 WeakPolarHBondContact CE1-O 3.41Å; Y78-I88 HydrophobicContact CD1-CD1 4.23Å; Y78-I88 HydrophobicContact CE1-CB 4.43Å; Y78-I88 HydrophobicContact CE1-CD1 3.78Å; Y78-I88 HydrophobicContact CE1-CG1 3.82Å; Y78-I88 PolarHBondContact OH-N 2.79Å
79	A	97.2	Very high	96.5	Very high	9 Å²	9	58.9 Å²	58.9	7%	0.074	33%	0.334	C	S	.	.			trans	-59.4	132.2	163.2	0	0	0	0	0	108.8	W65 I66 S81 L82 K83	W65-A79 HydrophobicContact CE3-CB 3.88Å; W65-A79 HydrophobicContact CZ3-CB 4.18Å; W65-A79 WeakPolarHBondContact O-CB 3.23Å; I66-A79 PolarHBondContact O-N 2.94Å; A79-S81 PolarHBondContact O-N 2.9Å; A79-S81 VanDerWaalsContact O-N 3.07Å; A79-L82 HydrophobicContact CB-CB 4.34Å; A79-L82 HydrophobicContact CB-CD1 4.32Å; A79-L82 HydrophobicContact CB-CG 4.37Å; A79-L82 PolarHBondContact O-N 2.86Å; A79-K83 PolarHBondContact O-N 3.24Å; A79-K83 VanDerWaalsContact O-N 3.13Å
80	P	95.7	Very high	96.5	Very high	130 Å²	130	59.9 Å²	59.9	84%	0.844	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.8	-176	-30.1	35.5	0	0	0	114.1	L82	P80-L82 VanDerWaalsContact C-N 3.3Å; P80-L82 PolarHBondContact O-N 3.07Å
81	S	92.7	Very high	96.5	Very high	84 Å²	84	61.1 Å²	61.1	59%	0.587	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.6	178.5	51	0	0	0	0	114.7	A79	A79-S81 PolarHBondContact O-N 2.9Å; A79-S81 VanDerWaalsContact O-N 3.07Å
82	L	93.5	Very high	96.5	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-3.5	-170.1	-57.2	179.5	0	0	0	114.1	E64 I66 A79 P80 D84 K85 F86	E64-L82 HydrophobicContact CG-CD1 4.27Å; I66-L82 HydrophobicContact CB-CD1 4.35Å; I66-L82 HydrophobicContact CG1-CD1 3.93Å; I66-L82 HydrophobicContact CG2-CD1 4.44Å; A79-L82 HydrophobicContact CB-CB 4.34Å; A79-L82 HydrophobicContact CB-CD1 4.32Å; A79-L82 HydrophobicContact CB-CG 4.37Å; A79-L82 PolarHBondContact O-N 2.86Å; P80-L82 VanDerWaalsContact C-N 3.3Å; P80-L82 PolarHBondContact O-N 3.07Å; L82-D84 VanDerWaalsContact C-N 3.25Å; L82-D84 PolarHBondContact O-N 2.88Å; L82-D84 VanDerWaalsContact O-N 3.13Å; L82-K85 HydrophobicContact CD2-CD 4.14Å; L82-K85 PolarHBondContact O-N 2.87Å; L82-F86 HydrophobicContact CB-CD2 4.03Å; L82-F86 HydrophobicContact CB-CE2 4.18Å; L82-F86 HydrophobicContact CD1-CE2 4.15Å; L82-F86 HydrophobicContact CD2-CE2 4.05Å; L82-F86 HydrophobicContact CG-CE2 4.35Å
83	K	90.3	Very high	96.5	Very high	133 Å²	133	62 Å²	62	58%	0.578	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-39	-175	-174.8	178	179.2	-177.9	0	114.4	Y78 A79	Y78-K83 HydrophobicContact CD2-CG 4.23Å; Y78-K83 HydrophobicContact CG-CB 4.46Å; Y78-K83 HydrophobicContact CG-CG 4.34Å; A79-K83 PolarHBondContact O-N 3.24Å; A79-K83 VanDerWaalsContact O-N 3.13Å
84	D	91.8	Very high	96.4	Very high	152 Å²	152	65.7 Å²	65.7	81%	0.813	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4.1	-175.4	-56	-43.1	0	0	0	113.6	L82	L82-D84 VanDerWaalsContact C-N 3.25Å; L82-D84 PolarHBondContact O-N 2.88Å; L82-D84 VanDerWaalsContact O-N 3.13Å
85	K	93.8	Very high	96.4	Very high	52 Å²	52	64.6 Å²	64.6	23%	0.226	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-30.7	-175.9	-63.3	-171.5	64.1	176.4	0	113.2	L82 E107 D108	L82-K85 HydrophobicContact CD2-CD 4.14Å; L82-K85 PolarHBondContact O-N 2.87Å; K85-E107 IonicContact NZ-OE1 2.75Å; K85-E107 PolarHBondContact NZ-OE1 2.97Å; K85-D108 VanDerWaalsContact CE-OD1 3.24Å; K85-D108 WeakPolarHBondContact CE-OD1 3.19Å; K85-D108 IonicContact NZ-OD1 2.75Å; K85-D108 PolarHBondContact NZ-OD1 2.94Å; K85-D108 IonicContact NZ-OD2 2.71Å
86	F	95.8	Very high	96.4	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.5	-171.5	-55.8	-59	0	0	0	111.8	I66 Y78 L82 L99 Q100 M101 Y112	I66-F86 HydrophobicContact CG2-CB 4.24Å; I66-F86 HydrophobicContact CG2-CD2 3.53Å; I66-F86 HydrophobicContact CG2-CE2 4.23Å; I66-F86 HydrophobicContact CG2-CG 4.16Å; Y78-F86 WeakPolarHBondContact CE1-O 3.41Å; L82-F86 HydrophobicContact CB-CD2 4.03Å; L82-F86 HydrophobicContact CB-CE2 4.18Å; L82-F86 HydrophobicContact CD1-CE2 4.15Å; L82-F86 HydrophobicContact CD2-CE2 4.05Å; L82-F86 HydrophobicContact CG-CE2 4.35Å; F86-L99 HydrophobicContact CB-CD1 3.72Å; F86-L99 HydrophobicContact CB-CG 4.39Å; F86-L99 HydrophobicContact CD1-CG 4.47Å; F86-L99 HydrophobicContact CG-CD1 4.23Å; F86-Q100 CarbonylContact C-O 3.48Å; F86-Q100 WeakPolarHBondContact CA-O 3.26Å; F86-M101 HydrophobicContact CD1-CB 4.02Å; F86-M101 HydrophobicContact CD1-CE 4.35Å; F86-M101 HydrophobicContact CD1-CG 3.6Å; F86-M101 HydrophobicContact CD1-SD 4.29Å; F86-M101 HydrophobicContact CE1-CB 4.06Å; F86-M101 HydrophobicContact CE1-CE 3.97Å; F86-M101 HydrophobicContact CE1-CG 3.63Å; F86-M101 HydrophobicContact CE1-SD 3.73Å; F86-Y112 HydrophobicContact CZ-CE1 4.44Å
87	I	97.4	Very high	96.5	Very high	95 Å²	95	59.6 Å²	59.6	49%	0.487	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.2	172.7	-58.6	169.9	0	0	0	107.8	Q100	I87-Q100 HydrophobicContact CB-CB 4.25Å; I87-Q100 PolarHBondContact N-O 3.11Å; I87-Q100 PolarHBondContact O-N 2.98Å
88	I	98.3	Very high	96.5	Very high	3 Å²	3	58 Å²	58	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.6	173.5	-60.4	171.7	0	0	0	108.6	I69 I76 Y78 L97 Y98 L99	I69-I88 HydrophobicContact CB-CG2 3.9Å; I69-I88 HydrophobicContact CG2-CG2 3.63Å; I76-I88 HydrophobicContact CG2-CB 4.29Å; Y78-I88 HydrophobicContact CD1-CD1 4.23Å; Y78-I88 HydrophobicContact CE1-CB 4.43Å; Y78-I88 HydrophobicContact CE1-CD1 3.78Å; Y78-I88 HydrophobicContact CE1-CG1 3.82Å; Y78-I88 PolarHBondContact OH-N 2.79Å; I88-L97 HydrophobicContact CG2-CD1 4Å; I88-Y98 WeakPolarHBondContact CA-O 3.48Å; I88-L99 HydrophobicContact CD1-CD1 4.44Å; I88-L99 HydrophobicContact CG1-CD1 3.59Å
89	S	98.4	Very high	96.5	Very high	43 Å²	43	55.7 Å²	55.7	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164	171.4	54.9	0	0	0	0	110.3	Y98	S89-Y98 PolarHBondContact N-O 2.97Å; S89-Y98 VanDerWaalsContact N-O 3.14Å; S89-Y98 PolarHBondContact O-N 3.04Å
90	R	98.4	Very high	96.5	Very high	23 Å²	23	59.5 Å²	59.5	9%	0.087	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.9	-178.8	63.6	-176.5	-67.2	158.5	2.8	111.5	F47 Y50 I69 N70 P71 S73 N92 T96 L97	F47-R90 HydrophobicContact CE1-CB 4.24Å; F47-R90 HydrophobicContact CZ-CB 4.1Å; F47-R90 PolarHBondContact O-NH2 2.93Å; Y50-R90 PolarHBondContact O-NH1 2.9Å; I69-R90 HydrophobicContact CD1-CG 3.93Å; I69-R90 HydrophobicContact CG1-CG 4.33Å; I69-R90 HydrophobicContact CG2-CB 4.41Å; I69-R90 HydrophobicContact CG2-CG 4.46Å; N70-R90 WeakPolarHBondContact O-CD 3.48Å; N70-R90 PolarHBondContact O-NH1 3.47Å; P71-R90 VanDerWaalsContact CA-NH1 3.29Å; P71-R90 PolarHBondContact O-NE 2.75Å; S73-R90 WeakPolarHBondContact OG-CD 3.35Å; S73-R90 WeakPolarHBondContact OG-CG 3.19Å; R90-N92 VanDerWaalsContact CZ-OD1 3.24Å; R90-N92 PolarHBondContact NE-OD1 3.02Å; R90-N92 PolarHBondContact NH2-OD1 3.48Å; R90-T96 CarbonylContact C-O 3.43Å; R90-T96 WeakPolarHBondContact CA-O 3.27Å; R90-L97 HydrophobicContact CB-CD1 4.06Å
91	D	98.1	Very high	96.5	Very high	39 Å²	39	53.5 Å²	53.5	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	105.6	173.4	-177.9	-23.7	0	0	0	108.3	A93 K94 N95 T96 Y98	D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 WeakPolarHBondContact OD1-CB 3.4Å; D91-A93 PolarHBondContact OD1-N 3.07Å; D91-K94 HydrophobicContact CB-CB 4.27Å; D91-K94 PolarHBondContact O-N 3.38Å; D91-K94 PolarHBondContact OD1-N 3.03Å; D91-K94 VanDerWaalsContact OD1-N 3.07Å; D91-K94 WeakPolarHBondContact OD2-CD 3.49Å; D91-K94 VanDerWaalsContact OD2-CE 3.23Å; D91-K94 WeakPolarHBondContact OD2-CE 3.2Å; D91-K94 WeakPolarHBondContact OD2-CG 3.47Å; D91-K94 IonicContact OD2-NZ 2.68Å; D91-K94 PolarHBondContact OD2-NZ 2.92Å; D91-K94 VanDerWaalsContact OD2-NZ 3.16Å; D91-N95 PolarHBondContact O-N 3.03Å; D91-T96 PolarHBondContact N-O 2.8Å; D91-T96 PolarHBondContact O-N 3Å; D91-Y98 HydrophobicContact CB-CE2 3.88Å
92	N	98	Very high	96.5	Very high	59 Å²	59	52.4 Å²	52.4	32%	0.316	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.4	-177.4	-71.1	-16.5	0	0	0	112.5	F47 P71 R90 K94 N95	F47-N92 WeakPolarHBondContact CD1-OD1 3.46Å; F47-N92 WeakPolarHBondContact CE1-OD1 3.2Å; P71-N92 PolarHBondContact O-ND2 3.41Å; R90-N92 VanDerWaalsContact CZ-OD1 3.24Å; R90-N92 PolarHBondContact NE-OD1 3.02Å; R90-N92 PolarHBondContact NH2-OD1 3.48Å; N92-K94 VanDerWaalsContact C-N 3.28Å; N92-K94 PolarHBondContact O-N 3.17Å; N92-N95 PolarHBondContact O-N 3Å; N92-N95 PolarHBondContact O-OD1 3.05Å
93	A	97.3	Very high	96.6	Very high	98 Å²	98	59.5 Å²	59.5	81%	0.81	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.8	177	0	0	0	0	0	111.4	D91	D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 WeakPolarHBondContact OD1-CB 3.4Å; D91-A93 PolarHBondContact OD1-N 3.07Å
94	K	97.7	Very high	96.8	Very high	132 Å²	132	53.9 Å²	53.9	57%	0.574	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	1.2	176.8	-61.4	-178.5	-166.4	147.6	0	114.1	D91 N92 T96	D91-K94 HydrophobicContact CB-CB 4.27Å; D91-K94 PolarHBondContact O-N 3.38Å; D91-K94 PolarHBondContact OD1-N 3.03Å; D91-K94 VanDerWaalsContact OD1-N 3.07Å; D91-K94 WeakPolarHBondContact OD2-CD 3.49Å; D91-K94 VanDerWaalsContact OD2-CE 3.23Å; D91-K94 WeakPolarHBondContact OD2-CE 3.2Å; D91-K94 WeakPolarHBondContact OD2-CG 3.47Å; D91-K94 IonicContact OD2-NZ 2.68Å; D91-K94 PolarHBondContact OD2-NZ 2.92Å; D91-K94 VanDerWaalsContact OD2-NZ 3.16Å; N92-K94 VanDerWaalsContact C-N 3.28Å; N92-K94 PolarHBondContact O-N 3.17Å; K94-T96 PolarHBondContact O-N 3.4Å; K94-T96 VanDerWaalsContact O-N 3.15Å; K94-T96 PolarHBondContact O-OG1 2.86Å
95	N	97.7	Very high	96.9	Very high	60 Å²	60	53.5 Å²	53.5	32%	0.321	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	42.1	-171.2	-62.1	-39.1	0	0	0	112.8	A42 F47 D91 N92	A42-N95 HydrophobicContact CB-CB 4.46Å; A42-N95 PolarHBondContact N-O 2.89Å; A42-N95 WeakPolarHBondContact O-CB 3.48Å; F47-N95 HydrophobicContact CB-CB 3.96Å; F47-N95 WeakPolarHBondContact CB-OD1 3.35Å; F47-N95 HydrophobicContact CD1-CB 4.32Å; F47-N95 HydrophobicContact CG-CB 4.12Å; D91-N95 PolarHBondContact O-N 3.03Å; N92-N95 PolarHBondContact O-N 3Å; N92-N95 PolarHBondContact O-OD1 3.05Å
96	T	98.5	Very high	96.9	Very high	15 Å²	15	55.9 Å²	55.9	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.8	-170.7	-58.3	0	0	0	0	111.7	C40 R90 D91 K94 Y98	C40-T96 CarbonylContact O-C 3.58Å; C40-T96 VanDerWaalsContact O-CA 3.29Å; C40-T96 WeakPolarHBondContact O-CA 3.48Å; R90-T96 CarbonylContact C-O 3.43Å; R90-T96 WeakPolarHBondContact CA-O 3.27Å; D91-T96 PolarHBondContact N-O 2.8Å; D91-T96 PolarHBondContact O-N 3Å; K94-T96 PolarHBondContact O-N 3.4Å; K94-T96 VanDerWaalsContact O-N 3.15Å; K94-T96 PolarHBondContact O-OG1 2.86Å; T96-Y98 HydrophobicContact CG2-CD1 4.06Å; T96-Y98 HydrophobicContact CG2-CE1 3.45Å; T96-Y98 VanDerWaalsContact CG2-CE1 3.45Å; T96-Y98 HydrophobicContact CG2-CE2 4.04Å; T96-Y98 VanDerWaalsContact CG2-CZ 3.42Å
97	L	98.7	Very high	96.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.6	170.5	-173.2	73.8	0	0	0	109.8	S39 C40 F47 M52 W54 I69 I88 R90 C114	S39-L97 CarbonylContact C-O 3.57Å; S39-L97 WeakPolarHBondContact CA-O 3.37Å; C40-L97 HydrophobicContact CB-CB 4.22Å; C40-L97 PolarHBondContact N-O 3.5Å; C40-L97 PolarHBondContact O-N 2.96Å; F47-L97 HydrophobicContact CE2-CB 4.19Å; F47-L97 HydrophobicContact CZ-CB 4.17Å; M52-L97 HydrophobicContact CB-CD1 3.85Å; M52-L97 HydrophobicContact CB-CD2 3.94Å; M52-L97 HydrophobicContact CB-CG 4.39Å; W54-L97 HydrophobicContact CD2-CD2 4.28Å; W54-L97 HydrophobicContact CG-CD2 4.16Å; W54-L97 HydrophobicContact CZ2-CD2 4.39Å; W54-L97 VanDerWaalsContact NE1-CG 3.34Å; I69-L97 HydrophobicContact CG2-CD1 3.42Å; I69-L97 VanDerWaalsContact CG2-CD1 3.42Å; I88-L97 HydrophobicContact CG2-CD1 4Å; R90-L97 HydrophobicContact CB-CD1 4.06Å; L97-C114 HydrophobicContact CD2-CB 3.96Å
98	Y	98.6	Very high	96.6	Very high	34 Å²	34	56.6 Å²	56.6	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.6	179.4	-56	-75.8	0	0	0	111.6	L38 S39 W54 I88 S89 D91 T96	L38-Y98 VanDerWaalsContact O-CA 3.29Å; L38-Y98 WeakPolarHBondContact O-CA 3.24Å; S39-Y98 VanDerWaalsContact OG-CD1 3.28Å; S39-Y98 WeakPolarHBondContact OG-CD1 3.49Å; S39-Y98 WeakPolarHBondContact OG-CE1 3.45Å; W54-Y98 PolarHBondContact NE1-O 3.2Å; I88-Y98 WeakPolarHBondContact CA-O 3.48Å; S89-Y98 PolarHBondContact N-O 2.97Å; S89-Y98 VanDerWaalsContact N-O 3.14Å; S89-Y98 PolarHBondContact O-N 3.04Å; D91-Y98 HydrophobicContact CB-CE2 3.88Å; T96-Y98 HydrophobicContact CG2-CD1 4.06Å; T96-Y98 HydrophobicContact CG2-CE1 3.45Å; T96-Y98 VanDerWaalsContact CG2-CE1 3.45Å; T96-Y98 HydrophobicContact CG2-CE2 4.04Å; T96-Y98 VanDerWaalsContact CG2-CZ 3.42Å
99	L	98.5	Very high	96.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	111.8	168.8	-170.2	68.6	0	0	0	108.4	K37 L38 W54 I66 F86 I88 M101 Y112	K37-L99 WeakPolarHBondContact CA-O 3.45Å; L38-L99 HydrophobicContact CB-CB 4.22Å; L38-L99 HydrophobicContact CD1-CD2 4.35Å; L38-L99 PolarHBondContact N-O 3.06Å; L38-L99 PolarHBondContact O-N 3.12Å; W54-L99 HydrophobicContact CB-CD1 4.32Å; W54-L99 HydrophobicContact CB-CD2 4.29Å; W54-L99 HydrophobicContact CD2-CB 3.91Å; W54-L99 HydrophobicContact CD2-CD2 4.09Å; W54-L99 HydrophobicContact CD2-CG 4.47Å; W54-L99 HydrophobicContact CE3-CD2 4.34Å; W54-L99 HydrophobicContact CG-CB 4.09Å; W54-L99 HydrophobicContact CG-CD1 4.05Å; W54-L99 HydrophobicContact CG-CD2 4.07Å; W54-L99 HydrophobicContact CG-CG 4.33Å; W54-L99 HydrophobicContact CZ2-CB 4.04Å; I66-L99 HydrophobicContact CD1-CD2 3.92Å; I66-L99 HydrophobicContact CG2-CD1 4.22Å; F86-L99 HydrophobicContact CB-CD1 3.72Å; F86-L99 HydrophobicContact CB-CG 4.39Å; F86-L99 HydrophobicContact CD1-CG 4.47Å; F86-L99 HydrophobicContact CG-CD1 4.23Å; I88-L99 HydrophobicContact CD1-CD1 4.44Å; I88-L99 HydrophobicContact CG1-CD1 3.59Å; L99-M101 HydrophobicContact CD2-CE 3.48Å; L99-M101 VanDerWaalsContact CD2-CE 3.48Å; L99-M101 HydrophobicContact CG-CE 4.11Å; L99-Y112 HydrophobicContact CD2-CD1 3.66Å; L99-Y112 HydrophobicContact CD2-CE1 3.89Å
100	Q	97.6	Very high	96.4	Very high	88 Å²	88	60 Å²	60	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.5	176.9	-179.3	168.2	-25.5	0	0	109.9	F86 I87	F86-Q100 CarbonylContact C-O 3.48Å; F86-Q100 WeakPolarHBondContact CA-O 3.26Å; I87-Q100 HydrophobicContact CB-CB 4.25Å; I87-Q100 PolarHBondContact N-O 3.11Å; I87-Q100 PolarHBondContact O-N 2.98Å
101	M	95.8	Very high	96.3	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.8	-179.9	-40.5	-175.3	171.6	0	0	108.1	S35 L36 L38 F86 L99 V104 Y112	S35-M101 VanDerWaalsContact CA-O 3.29Å; S35-M101 WeakPolarHBondContact CA-O 3.23Å; S35-M101 WeakPolarHBondContact CB-O 3.47Å; L36-M101 HydrophobicContact CB-CB 4.44Å; L36-M101 HydrophobicContact CB-SD 4.42Å; L36-M101 HydrophobicContact CD2-SD 4.35Å; L36-M101 PolarHBondContact N-O 2.8Å; L36-M101 PolarHBondContact O-N 3.33Å; L38-M101 HydrophobicContact CD1-CE 3.5Å; L38-M101 VanDerWaalsContact CD1-CE 3.5Å; L38-M101 HydrophobicContact CG-CE 3.91Å; F86-M101 HydrophobicContact CD1-CB 4.02Å; F86-M101 HydrophobicContact CD1-CE 4.35Å; F86-M101 HydrophobicContact CD1-CG 3.6Å; F86-M101 HydrophobicContact CD1-SD 4.29Å; F86-M101 HydrophobicContact CE1-CB 4.06Å; F86-M101 HydrophobicContact CE1-CE 3.97Å; F86-M101 HydrophobicContact CE1-CG 3.63Å; F86-M101 HydrophobicContact CE1-SD 3.73Å; L99-M101 HydrophobicContact CD2-CE 3.48Å; L99-M101 VanDerWaalsContact CD2-CE 3.48Å; L99-M101 HydrophobicContact CG-CE 4.11Å; M101-V104 HydrophobicContact CB-CG2 3.82Å; M101-Y112 HydrophobicContact CE-CD1 3.71Å; M101-Y112 HydrophobicContact CE-CD2 4.22Å; M101-Y112 HydrophobicContact CE-CE1 3.3Å; M101-Y112 HydrophobicContact CE-CE2 3.87Å; M101-Y112 HydrophobicContact CE-CG 4.17Å; M101-Y112 VanDerWaalsContact CE-CZ 3.41Å
102	S	92.9	Very high	96.3	Very high	61 Å²	61	63.4 Å²	63.4	43%	0.427	34%	0.338	S	S	.	.	S	Bend	trans	-124.9	150.3	173.7	69.2	0	0	0	0	109.6	V104	S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.13Å
103	K	94.2	Very high	96.3	Very high	155 Å²	155	65 Å²	65	67%	0.674	34%	0.34	S	S	*	.	S	Bend	trans	54.2	44.7	-178.5	-54.8	176.9	-178.7	176	0	112	G34 R105	G34-K103 PolarHBondContact O-N 2.79Å; K103-R105 WeakPolarHBondContact O-CG 3.29Å; K103-R105 PolarHBondContact O-N 2.65Å
104	V	95.1	Very high	96.3	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.091	30%	0.304	C	S	.	.			trans	-52.3	132.3	-175.7	175.9	0	0	0	0	110.3	V30 P32 G33 G34 L36 M101 S102 D108	V30-V104 HydrophobicContact CG2-CB 3.97Å; V30-V104 HydrophobicContact CG2-CG1 3.74Å; V30-V104 HydrophobicContact CG2-CG2 4.15Å; P32-V104 CarbonylContact C-O 3.43Å; P32-V104 VanDerWaalsContact CA-O 3.32Å; P32-V104 WeakPolarHBondContact CA-O 3.29Å; G33-V104 PolarHBondContact N-O 3.1Å; G34-V104 WeakPolarHBondContact O-CG2 3.47Å; G34-V104 PolarHBondContact O-N 2.93Å; L36-V104 HydrophobicContact CB-CG2 4.27Å; M101-V104 HydrophobicContact CB-CG2 3.82Å; S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.13Å; V104-D108 HydrophobicContact CG1-CB 4.25Å
105	R	94.5	Very high	96.3	Very high	144 Å²	144	56.1 Å²	56.1	54%	0.543	29%	0.291	S	S	.	.			trans	-114.6	167.1	178.5	-65.1	177.1	-178.6	175.9	-1.9	110.8	K103 E107 D108	K103-R105 WeakPolarHBondContact O-CG 3.29Å; K103-R105 PolarHBondContact O-N 2.65Å; R105-E107 HydrophobicContact CB-CG 3.62Å; R105-E107 IonicContact NH1-OE1 3.67Å; R105-E107 PolarHBondContact O-N 3.06Å; R105-D108 PolarHBondContact N-OD2 3.4Å; R105-D108 WeakPolarHBondContact O-CB 2.97Å; R105-D108 PolarHBondContact O-N 2.73Å
106	S	93.2	Very high	96	Very high	102 Å²	102	60.3 Å²	60.3	71%	0.713	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.3	-35.7	174.6	53.1	0	0	0	0	112.6	D108 T109	S106-D108 PolarHBondContact O-N 2.86Å; S106-T109 VanDerWaalsContact O-CB 3.27Å; S106-T109 WeakPolarHBondContact O-CB 3.33Å; S106-T109 PolarHBondContact O-N 2.98Å; S106-T109 VanDerWaalsContact O-N 3.12Å; S106-T109 PolarHBondContact O-OG1 2.66Å
107	E	93.1	Very high	95.9	Very high	105 Å²	105	62.6 Å²	62.6	49%	0.491	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.5	-16.7	174.8	60.8	-175.5	-142.2	0	0	114.7	K85 R105 T109	K85-E107 IonicContact NZ-OE1 2.75Å; K85-E107 PolarHBondContact NZ-OE1 2.97Å; R105-E107 HydrophobicContact CB-CG 3.62Å; R105-E107 IonicContact NH1-OE1 3.67Å; R105-E107 PolarHBondContact O-N 3.06Å; E107-T109 VanDerWaalsContact C-N 3.31Å
108	D	94.9	Very high	95.8	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.048	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-88.6	-0.7	177.1	-59.6	-46.3	0	0	0	112.8	R56 K85 V104 R105 S106 A110 Y112	R56-D108 IonicContact NH1-OD1 3.19Å; R56-D108 PolarHBondContact NH1-OD1 3.21Å; K85-D108 VanDerWaalsContact CE-OD1 3.24Å; K85-D108 WeakPolarHBondContact CE-OD1 3.19Å; K85-D108 IonicContact NZ-OD1 2.75Å; K85-D108 PolarHBondContact NZ-OD1 2.94Å; K85-D108 IonicContact NZ-OD2 2.71Å; V104-D108 HydrophobicContact CG1-CB 4.25Å; R105-D108 PolarHBondContact N-OD2 3.4Å; R105-D108 WeakPolarHBondContact O-CB 2.97Å; R105-D108 PolarHBondContact O-N 2.73Å; S106-D108 PolarHBondContact O-N 2.86Å; D108-A110 PolarHBondContact O-N 3.36Å; D108-A110 VanDerWaalsContact O-N 3.1Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.07Å
109	T	95	Very high	95.6	Very high	93 Å²	93	67.6 Å²	67.6	57%	0.571	34%	0.34	S	S	*	.			trans	-68.7	106.4	175.2	-52.4	0	0	0	0	110	P59 S106 E107	P59-T109 WeakPolarHBondContact CD-O 3.43Å; S106-T109 VanDerWaalsContact O-CB 3.27Å; S106-T109 WeakPolarHBondContact O-CB 3.33Å; S106-T109 PolarHBondContact O-N 2.98Å; S106-T109 VanDerWaalsContact O-N 3.12Å; S106-T109 PolarHBondContact O-OG1 2.66Å; E107-T109 VanDerWaalsContact C-N 3.31Å
110	A	96.4	Very high	95.4	Very high	23 Å²	23	71.6 Å²	71.6	19%	0.19	36%	0.36	C	S	.	.	S	Bend	trans	-156.9	165.7	-178.7	0	0	0	0	0	110.9	R56 R57 A58 D108 Y112	R56-A110 HydrophobicContact CB-CB 3.97Å; R56-A110 HydrophobicContact CG-CB 4.42Å; R57-A110 WeakPolarHBondContact O-CA 3.17Å; R57-A110 WeakPolarHBondContact O-CB 3.34Å; A58-A110 HydrophobicContact CB-CB 4.33Å; D108-A110 PolarHBondContact O-N 3.36Å; D108-A110 VanDerWaalsContact O-N 3.1Å; A110-Y112 HydrophobicContact CB-CD2 4.36Å; A110-Y112 HydrophobicContact CB-CE2 3.81Å; A110-Y112 WeakPolarHBondContact O-CD2 3.33Å; A110-Y112 WeakPolarHBondContact O-CE2 3.33Å
111	L	97.1	Very high	95.3	Very high	104 Å²	104	70.6 Å²	70.6	55%	0.545	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.6	162.2	-64.1	171.9	0	0	0	108.4	R56 R57 Y113	R56-L111 CarbonylContact C-O 3.53Å; R56-L111 WeakPolarHBondContact CA-O 3.19Å; R56-L111 WeakPolarHBondContact CB-O 3.46Å; R57-L111 PolarHBondContact N-O 3.32Å; R57-L111 PolarHBondContact O-N 3.28Å; L111-Y113 HydrophobicContact CB-CE2 3.68Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.39Å
112	Y	97.9	Very high	95.3	Very high	31 Å²	31	75 Å²	75	12%	0.122	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	-178.1	-71.1	-97.8	0	0	0	110	L38 R56 I66 F86 L99 M101 D108 A110	L38-Y112 VanDerWaalsContact CD1-CB 3.4Å; L38-Y112 HydrophobicContact CD1-CD1 3.92Å; L38-Y112 HydrophobicContact CD1-CD2 3.84Å; L38-Y112 HydrophobicContact CD1-CG 3.45Å; L38-Y112 VanDerWaalsContact CD1-CG 3.45Å; R56-Y112 HydrophobicContact CB-CD1 3.79Å; R56-Y112 HydrophobicContact CB-CE1 3.77Å; R56-Y112 HydrophobicContact CB-CG 4.26Å; R56-Y112 HydrophobicContact CG-CE1 4.37Å; I66-Y112 HydrophobicContact CD1-CD1 3.63Å; I66-Y112 HydrophobicContact CD1-CE1 3.6Å; F86-Y112 HydrophobicContact CZ-CE1 4.44Å; L99-Y112 HydrophobicContact CD2-CD1 3.66Å; L99-Y112 HydrophobicContact CD2-CE1 3.89Å; M101-Y112 HydrophobicContact CE-CD1 3.71Å; M101-Y112 HydrophobicContact CE-CD2 4.22Å; M101-Y112 HydrophobicContact CE-CE1 3.3Å; M101-Y112 HydrophobicContact CE-CE2 3.87Å; M101-Y112 HydrophobicContact CE-CG 4.17Å; M101-Y112 VanDerWaalsContact CE-CZ 3.41Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.07Å; A110-Y112 HydrophobicContact CB-CD2 4.36Å; A110-Y112 HydrophobicContact CB-CE2 3.81Å; A110-Y112 WeakPolarHBondContact O-CD2 3.33Å; A110-Y112 WeakPolarHBondContact O-CE2 3.33Å
113	Y	97.8	Very high	95.4	Very high	91 Å²	91	76 Å²	76	36%	0.357	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.2	-178.7	-55.5	-78.7	0	0	0	109.1	W54 V55 R57 L111	W54-Y113 WeakPolarHBondContact CA-O 3.32Å; V55-Y113 PolarHBondContact N-O 2.97Å; V55-Y113 PolarHBondContact O-N 2.69Å; V55-Y113 VanDerWaalsContact O-O 3.08Å; R57-Y113 HydrophobicContact CB-CE2 4.39Å; L111-Y113 HydrophobicContact CB-CE2 3.68Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.39Å
114	C	97.9	Very high	95.5	Very high	8 Å²	8	69.9 Å²	69.9	5%	0.054	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	148	162.2	52.5	0	0	0	0	109.7	L22 Q24 C40 S53 W54 L97	L22-C114 WeakPolarHBondContact CD1-O 3.38Å; Q24-C114 PolarHBondContact NE2-SG 2.89Å; C40-C114 HydrophobicContact CB-CB 3.45Å; C40-C114 VanDerWaalsContact CB-CB 3.45Å; C40-C114 WeakPolarHBondContact CB-SG 3.45Å; C40-C114 WeakPolarHBondContact SG-CB 3.46Å; C40-C114 CovalentContact SG-SG 2Å; C40-C114 PolarHBondContact SG-SG 3.31Å; S53-C114 CarbonylContact O-C 3.58Å; S53-C114 WeakPolarHBondContact O-CA 3.16Å; W54-C114 HydrophobicContact CD2-CB 4.45Å; W54-C114 HydrophobicContact CE3-CB 4.32Å; W54-C114 HydrophobicContact CH2-CB 4.4Å; W54-C114 HydrophobicContact CZ3-CB 4.29Å; L97-C114 HydrophobicContact CD2-CB 3.96Å
115	A	97	Very high	95.6	Very high	37 Å²	37	74.5 Å²	74.5	31%	0.306	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154	176.5	0	0	0	0	0	109.7	M52 S53	M52-A115 WeakPolarHBondContact CA-O 3.48Å; M52-A115 WeakPolarHBondContact CE-O 3.27Å; S53-A115 PolarHBondContact N-O 3.37Å; S53-A115 PolarHBondContact O-N 2.72Å
116	R	92	Very high	95.7	Very high	147 Å²	147	68.2 Å²	68.2	56%	0.555	36%	0.359	S	S	*	.			trans	-95.9	0	167.5	-176	-174.7	72.1	173.4	-3.7	108.8	Y50 M52	Y50-R116 HydrophobicContact CD1-CG 3.99Å; Y50-R116 HydrophobicContact CD2-CG 4.4Å; Y50-R116 VanDerWaalsContact CG-CD 3.4Å; Y50-R116 HydrophobicContact CG-CG 3.77Å; M52-R116 HydrophobicContact CE-CB 4.31Å; M52-R116 HydrophobicContact SD-CB 3.99Å; M52-R116 HydrophobicContact SD-CG 4.06Å

Retrieved 116 of 116 residues in 105.6 ms (Link to these results)

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