A0A075B693_MOUSE Loading...

Immunoglobulin heavy variable V8-4

AlphaFold DB , UniProt , Accession A0A075B693, Species MOUSE (Mus musculus, Mouse), Gene Ighv8-4, Length 98 aa.

						>A0A075B693_MOUSE|A0A075B693|Ighv8-4
QITLKQSGPGIVQPSQPVRLTCTFSGFSLSTSGIGVTWIRQPSGKGLEWLATIWWDDDNRYNPSLKSRLAVSKDTSNNQAFLNIITVETADTAIYYCA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	91.9	Very high	96.3	Very high	213 Å²	213	97.9 Å²	97.9	100%	0.995	57%	0.566	S	S	*	*				0	138.2	0	-175.4	175.3	11.8	0	0	108.3
2	I	96.2	Very high	96.2	Very high	109 Å²	109	94.7 Å²	94.7	56%	0.559	55%	0.548	S	S	*	.			trans	-90.4	135.7	176.4	-66.5	171.3	0	0	0	108.8	L4 S25 F27	I2-L4 HydrophobicContact CG2-CD1 4.03Å; I2-S25 WeakPolarHBondContact CA-O 3.37Å; I2-F27 HydrophobicContact CG2-CD1 3.93Å; I2-F27 HydrophobicContact CG2-CE1 4.16Å
3	T	97.9	Very high	96	Very high	63 Å²	63	97.8 Å²	97.8	39%	0.387	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.2	147.7	172.1	79.1	0	0	0	0	110.9	F24 S25	T3-F24 CarbonylContact O-C 3.54Å; T3-F24 VanDerWaalsContact O-CA 3.27Å; T3-F24 WeakPolarHBondContact O-CA 3.36Å; T3-S25 PolarHBondContact N-O 3.23Å; T3-S25 PolarHBondContact O-N 3.1Å; T3-S25 PolarHBondContact OG1-OG 3.2Å
4	L	98.3	Very high	95.9	Very high	49 Å²	49	95.9 Å²	95.9	26%	0.257	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.3	171.3	-62.6	98.8	0	0	0	108.3	I2 F24 F27 V36 C97	I2-L4 HydrophobicContact CG2-CD1 4.03Å; L4-F24 HydrophobicContact CG-CB 4.31Å; L4-F27 HydrophobicContact CG-CE1 4.43Å; L4-V36 HydrophobicContact CD2-CG1 4.4Å; L4-C97 HydrophobicContact CD2-CB 4.37Å
5	K	98	Very high	95.7	Very high	152 Å²	152	95.6 Å²	95.6	66%	0.661	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.1	108.2	-179.5	-175.3	-179	179	-178.3	0	110.3	T23	K5-T23 PolarHBondContact N-O 2.88Å; K5-T23 PolarHBondContact O-N 3.41Å
6	Q	97.9	Very high	95.7	Very high	72 Å²	72	96.4 Å²	96.4	34%	0.336	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	147	170.9	62.9	-84.4	10.3	0	0	112.3	T21 W38 Y95	Q6-T21 CarbonylContact C-O 3.58Å; Q6-T21 VanDerWaalsContact CA-O 3.26Å; Q6-T21 WeakPolarHBondContact CA-O 3.39Å; Q6-W38 HydrophobicContact CB-CZ3 4.45Å; Q6-Y95 WeakPolarHBondContact CG-O 3.48Å; Q6-Y95 PolarHBondContact NE2-O 3.07Å
7	S	98.1	Very high	95.7	Very high	61 Å²	61	96.2 Å²	96.2	43%	0.427	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.2	157	173.2	59	0	0	0	0	110.1	L20 T21	S7-L20 CarbonylContact O-C 3.57Å; S7-L20 WeakPolarHBondContact O-CA 3.29Å; S7-T21 PolarHBondContact N-O 2.83Å; S7-T21 PolarHBondContact O-N 2.78Å; S7-T21 PolarHBondContact OG-O 2.81Å
8	G	97.1	Very high	95.8	Very high	49 Å²	49	91.7 Å²	91.7	51%	0.505	53%	0.529	S	S	.	.			trans	169.9	180	-177.5	0	0	0	0	0	111.6
9	P	95.1	Very high	95.9	Very high	67 Å²	67	93.6 Å²	93.6	44%	0.435	53%	0.526	S	S	.	.			trans	-64.4	139.6	174.1	29.4	-34.8	0	0	0	110.3	V12 V18 R19	P9-V12 HydrophobicContact CB-CG1 3.66Å; P9-V12 HydrophobicContact CG-CG1 3.68Å; P9-V18 HydrophobicContact CG-CG1 3.9Å; P9-V18 HydrophobicContact CG-CG2 4.32Å; P9-R19 WeakPolarHBondContact CD-O 3.37Å
10	G	94.3	Very high	96.1	Very high	81 Å²	81	89.6 Å²	89.6	84%	0.835	50%	0.504	S	S	*	.	S	Bend	trans	-76.7	-60.2	-180	0	0	0	0	0	112.8
11	I	94.7	Very high	96.2	Very high	161 Å²	161	86.5 Å²	86.5	83%	0.826	49%	0.487	S	S	*	.	S	Bend	trans	-114.2	132.6	178.5	-59.7	174	0	0	0	108.2
12	V	94.9	Very high	96.5	Very high	59 Å²	59	76.4 Å²	76.4	36%	0.358	44%	0.439	S	S	.	.			trans	-134	151	-178.8	-63.2	0	0	0	0	110	P9 V18 V87	P9-V12 HydrophobicContact CB-CG1 3.66Å; P9-V12 HydrophobicContact CG-CG1 3.68Å; V12-V18 HydrophobicContact CB-CG2 4.01Å; V12-V18 HydrophobicContact CG1-CG2 3.71Å; V12-V18 HydrophobicContact CG2-CG2 3.79Å; V12-V87 HydrophobicContact CG2-CG2 3.93Å
13	Q	94	Very high	96.6	Very high	135 Å²	135	73.8 Å²	73.8	63%	0.631	43%	0.429	S	S	*	.			trans	-80	148.2	175.1	-64.9	-61.2	-30.7	0	0	110.5	Q16 V87	Q13-Q16 HydrophobicContact CB-CG 4.07Å; Q13-Q16 WeakPolarHBondContact O-CB 3.35Å; Q13-Q16 WeakPolarHBondContact O-CG 3.26Å; Q13-Q16 PolarHBondContact O-N 2.83Å; Q13-V87 VanDerWaalsContact O-CG2 3.3Å; Q13-V87 WeakPolarHBondContact O-CG2 3.3Å
14	P	93.7	Very high	96.7	Very high	71 Å²	71	71 Å²	71	46%	0.461	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	153.4	170.9	-24.8	34.4	0	0	0	112.3	Q16	P14-Q16 PolarHBondContact O-N 2.84Å
15	S	94.1	Very high	96.6	Very high	92 Å²	92	71 Å²	71	64%	0.643	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	9.4	-178.3	-48.3	0	0	0	0	115.5	V87	S15-V87 PolarHBondContact N-O 2.86Å
16	Q	94.8	Very high	96.6	Very high	108 Å²	108	66.5 Å²	66.5	51%	0.505	41%	0.413	S	S	.	.			trans	-92.3	149.8	171.2	-65.1	-63.6	-50	0	0	111.1	Q13 P14 V87	Q13-Q16 HydrophobicContact CB-CG 4.07Å; Q13-Q16 WeakPolarHBondContact O-CB 3.35Å; Q13-Q16 WeakPolarHBondContact O-CG 3.26Å; Q13-Q16 PolarHBondContact O-N 2.83Å; P14-Q16 PolarHBondContact O-N 2.84Å; Q16-V87 VanDerWaalsContact O-CG2 3.26Å; Q16-V87 WeakPolarHBondContact O-CG2 3.28Å; Q16-V87 PolarHBondContact O-N 2.91Å
17	P	96.6	Very high	96.6	Very high	94 Å²	94	65.2 Å²	65.2	61%	0.61	41%	0.406	S	S	*	.			trans	-72.2	147.3	167.7	30.6	-33.7	0	0	0	110.6	I84 I85	P17-I84 CarbonylContact C-O 3.52Å; P17-I84 VanDerWaalsContact CA-O 3.28Å; P17-I84 WeakPolarHBondContact CA-O 3.41Å; P17-I85 WeakPolarHBondContact CA-O 3.4Å
18	V	97.3	Very high	96.5	Very high	14 Å²	14	64.2 Å²	64.2	9%	0.085	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.5	172.4	168.3	0	0	0	0	110.2	P9 V12 L20 N83 I84 V87	P9-V18 HydrophobicContact CG-CG1 3.9Å; P9-V18 HydrophobicContact CG-CG2 4.32Å; V12-V18 HydrophobicContact CB-CG2 4.01Å; V12-V18 HydrophobicContact CG1-CG2 3.71Å; V12-V18 HydrophobicContact CG2-CG2 3.79Å; V18-L20 HydrophobicContact CG1-CD2 3.88Å; V18-L20 HydrophobicContact CG1-CG 4.17Å; V18-N83 CarbonylContact O-C 3.56Å; V18-N83 VanDerWaalsContact O-CA 3.29Å; V18-N83 WeakPolarHBondContact O-CA 3.08Å; V18-I84 PolarHBondContact N-O 3.24Å; V18-I84 PolarHBondContact O-N 2.83Å; V18-V87 HydrophobicContact CB-CG1 3.82Å; V18-V87 HydrophobicContact CG2-CG1 3.48Å; V18-V87 VanDerWaalsContact CG2-CG1 3.48Å; V18-V87 HydrophobicContact CG2-CG2 4.48Å
19	R	98.1	Very high	96.5	Very high	128 Å²	128	62 Å²	62	48%	0.483	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.5	169.2	-178.4	170	179.4	-176.7	1.6	110	P9 F81 L82 N83	P9-R19 WeakPolarHBondContact CD-O 3.37Å; R19-F81 HydrophobicContact CG-CD1 4.49Å; R19-F81 VanDerWaalsContact NE-CD1 3.26Å; R19-F81 VanDerWaalsContact NH2-CD2 3.27Å; R19-F81 VanDerWaalsContact NH2-CG 3.29Å; R19-L82 CarbonylContact C-O 3.6Å; R19-L82 WeakPolarHBondContact CA-O 3.49Å; R19-N83 VanDerWaalsContact CB-OD1 3.29Å; R19-N83 WeakPolarHBondContact CB-OD1 3.36Å; R19-N83 WeakPolarHBondContact CD-OD1 3.17Å; R19-N83 WeakPolarHBondContact CG-OD1 3.28Å
20	L	98.5	Very high	96.6	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.073	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.4	167.5	-54.4	-178.2	0	0	0	109.4	S7 V18 W38 F81 L82 Y95	S7-L20 CarbonylContact O-C 3.57Å; S7-L20 WeakPolarHBondContact O-CA 3.29Å; V18-L20 HydrophobicContact CG1-CD2 3.88Å; V18-L20 HydrophobicContact CG1-CG 4.17Å; L20-W38 HydrophobicContact CB-CH2 3.65Å; L20-W38 HydrophobicContact CB-CZ3 3.7Å; L20-W38 HydrophobicContact CD1-CZ3 4.09Å; L20-F81 VanDerWaalsContact O-CA 3.25Å; L20-F81 WeakPolarHBondContact O-CA 3.38Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.23Å; L20-L82 PolarHBondContact N-O 2.9Å; L20-L82 PolarHBondContact O-N 2.69Å; L20-Y95 VanDerWaalsContact CD1-CB 3.46Å; L20-Y95 HydrophobicContact CD1-CD1 3.38Å; L20-Y95 HydrophobicContact CD1-CD2 4.1Å; L20-Y95 HydrophobicContact CD1-CE1 4.12Å; L20-Y95 HydrophobicContact CD1-CG 3.37Å
21	T	98.7	Very high	96.7	Very high	25 Å²	25	61.9 Å²	61.9	15%	0.153	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.6	177.9	-57	0	0	0	0	109.1	Q6 S7 Q79 F81	Q6-T21 CarbonylContact C-O 3.58Å; Q6-T21 VanDerWaalsContact CA-O 3.26Å; Q6-T21 WeakPolarHBondContact CA-O 3.39Å; S7-T21 PolarHBondContact N-O 2.83Å; S7-T21 PolarHBondContact O-N 2.78Å; S7-T21 PolarHBondContact OG-O 2.81Å; T21-Q79 HydrophobicContact CG2-CB 4.24Å; T21-Q79 HydrophobicContact CG2-CG 3.92Å; T21-F81 HydrophobicContact CG2-CD1 3.91Å; T21-F81 HydrophobicContact CG2-CE1 3.56Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.47Å; T21-F81 WeakPolarHBondContact OG1-CE1 3.31Å
22	C	98.7	Very high	96.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.3	168.6	-177.2	0	0	0	0	108.6	W38 Q79 A80 C97	C22-W38 HydrophobicContact CB-CH2 3.71Å; C22-W38 HydrophobicContact CB-CZ2 3.64Å; C22-Q79 CarbonylContact O-C 3.57Å; C22-Q79 VanDerWaalsContact O-CA 3.25Å; C22-Q79 WeakPolarHBondContact O-CA 3.27Å; C22-A80 HydrophobicContact CB-CB 4.42Å; C22-A80 PolarHBondContact N-O 2.75Å; C22-A80 PolarHBondContact O-N 2.84Å; C22-C97 HydrophobicContact CB-CB 3.4Å; C22-C97 WeakPolarHBondContact CB-SG 3.16Å; C22-C97 WeakPolarHBondContact SG-CB 3.29Å; C22-C97 CovalentContact SG-SG 2.02Å; C22-C97 PolarHBondContact SG-SG 2.67Å
23	T	98.6	Very high	97	Very high	54 Å²	54	58 Å²	58	33%	0.331	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.6	171	-52.8	0	0	0	0	108.6	K5 N78 Q79	K5-T23 PolarHBondContact N-O 2.88Å; K5-T23 PolarHBondContact O-N 3.41Å; T23-N78 WeakPolarHBondContact CA-O 3.47Å; T23-Q79 HydrophobicContact CG2-CG 4.45Å
24	F	98.2	Very high	97.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158.3	-177.5	54.3	-100.5	0	0	0	112.8	T3 L4 F27 L29 V36 N78 A80	T3-F24 CarbonylContact O-C 3.54Å; T3-F24 VanDerWaalsContact O-CA 3.27Å; T3-F24 WeakPolarHBondContact O-CA 3.36Å; L4-F24 HydrophobicContact CG-CB 4.31Å; F24-F27 HydrophobicContact CB-CD1 4.45Å; F24-F27 HydrophobicContact CB-CE1 3.47Å; F24-F27 VanDerWaalsContact CB-CE1 3.47Å; F24-F27 HydrophobicContact CB-CE2 4.42Å; F24-F27 HydrophobicContact CB-CZ 3.45Å; F24-F27 VanDerWaalsContact CB-CZ 3.45Å; F24-F27 HydrophobicContact CD1-CE2 4.38Å; F24-F27 AromaticContact CD1-CZ 3.96Å; F24-F27 HydrophobicContact CD1-CZ 3.96Å; F24-F27 HydrophobicContact CD2-CD1 4.38Å; F24-F27 HydrophobicContact CD2-CD2 4.12Å; F24-F27 AromaticContact CD2-CE1 3.9Å; F24-F27 HydrophobicContact CD2-CE1 3.9Å; F24-F27 AromaticContact CD2-CE2 3.59Å; F24-F27 HydrophobicContact CD2-CE2 3.59Å; F24-F27 AromaticContact CD2-CZ 3.48Å; F24-F27 HydrophobicContact CD2-CZ 3.48Å; F24-F27 VanDerWaalsContact CD2-CZ 3.48Å; F24-F27 HydrophobicContact CE2-CD2 4.35Å; F24-F27 AromaticContact CE2-CE2 3.88Å; F24-F27 HydrophobicContact CE2-CE2 3.88Å; F24-F27 HydrophobicContact CE2-CZ 4.21Å; F24-F27 AromaticContact CG-CE1 3.84Å; F24-F27 HydrophobicContact CG-CE1 3.84Å; F24-F27 AromaticContact CG-CE2 3.89Å; F24-F27 HydrophobicContact CG-CE2 3.89Å; F24-F27 AromaticContact CG-CZ 3.34Å; F24-F27 HydrophobicContact CG-CZ 3.34Å; F24-F27 HydrophobicContact CZ-CE2 4.38Å; F24-L29 HydrophobicContact CE1-CB 4.26Å; F24-L29 HydrophobicContact CE1-CD2 3.95Å; F24-L29 HydrophobicContact CE2-CB 4.05Å; F24-L29 HydrophobicContact CZ-CB 3.55Å; F24-L29 HydrophobicContact CZ-CD2 4.03Å; F24-L29 HydrophobicContact CZ-CG 4.46Å; F24-V36 HydrophobicContact CD1-CG2 4.17Å; F24-V36 HydrophobicContact CE1-CG2 4.34Å; F24-N78 VanDerWaalsContact CD1-O 3.29Å; F24-N78 WeakPolarHBondContact CD1-O 3.39Å; F24-N78 HydrophobicContact CD2-CB 3.8Å; F24-N78 WeakPolarHBondContact CE1-O 3.2Å; F24-N78 HydrophobicContact CE2-CB 3.59Å; F24-N78 HydrophobicContact CG-CB 4.43Å; F24-N78 HydrophobicContact CZ-CB 4.09Å; F24-N78 PolarHBondContact N-O 2.96Å; F24-N78 VanDerWaalsContact O-CB 3.31Å; F24-N78 WeakPolarHBondContact O-CB 3.26Å; F24-A80 HydrophobicContact CE1-CB 4.46Å
25	S	97.9	Very high	97.4	Very high	49 Å²	49	51.9 Å²	51.9	34%	0.343	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.1	174.6	78.7	0	0	0	0	111.3	I2 T3 F27	I2-S25 WeakPolarHBondContact CA-O 3.37Å; T3-S25 PolarHBondContact N-O 3.23Å; T3-S25 PolarHBondContact O-N 3.1Å; T3-S25 PolarHBondContact OG1-OG 3.2Å; S25-F27 VanDerWaalsContact C-N 3.32Å
26	G	97.6	Very high	97.6	Very high	59 Å²	59	47.5 Å²	47.5	61%	0.608	30%	0.299	S	S	*	.	S	Bend	trans	85	3.1	176.7	0	0	0	0	0	114.6
27	F	97	Very high	97.7	Very high	44 Å²	44	43.9 Å²	43.9	19%	0.193	28%	0.284	C	S	.	.	S	Bend	trans	-148.2	166.7	168.2	68.8	-89.1	0	0	0	110.3	I2 L4 F24 S25 L29 I34 V36	I2-F27 HydrophobicContact CG2-CD1 3.93Å; I2-F27 HydrophobicContact CG2-CE1 4.16Å; L4-F27 HydrophobicContact CG-CE1 4.43Å; F24-F27 HydrophobicContact CB-CD1 4.45Å; F24-F27 HydrophobicContact CB-CE1 3.47Å; F24-F27 VanDerWaalsContact CB-CE1 3.47Å; F24-F27 HydrophobicContact CB-CE2 4.42Å; F24-F27 HydrophobicContact CB-CZ 3.45Å; F24-F27 VanDerWaalsContact CB-CZ 3.45Å; F24-F27 HydrophobicContact CD1-CE2 4.38Å; F24-F27 AromaticContact CD1-CZ 3.96Å; F24-F27 HydrophobicContact CD1-CZ 3.96Å; F24-F27 HydrophobicContact CD2-CD1 4.38Å; F24-F27 HydrophobicContact CD2-CD2 4.12Å; F24-F27 AromaticContact CD2-CE1 3.9Å; F24-F27 HydrophobicContact CD2-CE1 3.9Å; F24-F27 AromaticContact CD2-CE2 3.59Å; F24-F27 HydrophobicContact CD2-CE2 3.59Å; F24-F27 AromaticContact CD2-CZ 3.48Å; F24-F27 HydrophobicContact CD2-CZ 3.48Å; F24-F27 VanDerWaalsContact CD2-CZ 3.48Å; F24-F27 HydrophobicContact CE2-CD2 4.35Å; F24-F27 AromaticContact CE2-CE2 3.88Å; F24-F27 HydrophobicContact CE2-CE2 3.88Å; F24-F27 HydrophobicContact CE2-CZ 4.21Å; F24-F27 AromaticContact CG-CE1 3.84Å; F24-F27 HydrophobicContact CG-CE1 3.84Å; F24-F27 AromaticContact CG-CE2 3.89Å; F24-F27 HydrophobicContact CG-CE2 3.89Å; F24-F27 AromaticContact CG-CZ 3.34Å; F24-F27 HydrophobicContact CG-CZ 3.34Å; F24-F27 HydrophobicContact CZ-CE2 4.38Å; S25-F27 VanDerWaalsContact C-N 3.32Å; F27-L29 HydrophobicContact CE2-CB 4.27Å; F27-I34 HydrophobicContact CD2-CG2 3.57Å; F27-I34 HydrophobicContact CE2-CG2 3.78Å; F27-V36 HydrophobicContact CE2-CG2 4.15Å; F27-V36 HydrophobicContact CZ-CG2 3.91Å
28	S	97.1	Very high	97.8	Very high	41 Å²	41	39.4 Å²	39.4	29%	0.287	26%	0.255	S	S	.	.			trans	-110.6	128	167.6	-177.5	0	0	0	0	109.7	S30 T31	S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-N 2.82Å; S28-S30 VanDerWaalsContact OG-N 3.12Å; S28-S30 PolarHBondContact OG-OG 2.89Å; S28-T31 WeakPolarHBondContact O-CB 3.38Å; S28-T31 PolarHBondContact O-N 2.63Å; S28-T31 VanDerWaalsContact O-N 3.11Å; S28-T31 PolarHBondContact O-OG1 2.9Å
29	L	97.2	Very high	97.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-1.2	171.9	-170.6	54.9	0	0	0	112	F24 F27 I34 V36 I53 W55 K73 T75 A80	F24-L29 HydrophobicContact CE1-CB 4.26Å; F24-L29 HydrophobicContact CE1-CD2 3.95Å; F24-L29 HydrophobicContact CE2-CB 4.05Å; F24-L29 HydrophobicContact CZ-CB 3.55Å; F24-L29 HydrophobicContact CZ-CD2 4.03Å; F24-L29 HydrophobicContact CZ-CG 4.46Å; F27-L29 HydrophobicContact CE2-CB 4.27Å; L29-I34 HydrophobicContact CD1-CG2 4.06Å; L29-V36 HydrophobicContact CD1-CG2 4.16Å; L29-V36 HydrophobicContact CD2-CG2 4.01Å; L29-I53 HydrophobicContact CD2-CG2 4.49Å; L29-W55 WeakPolarHBondContact O-CA 3.26Å; L29-W55 WeakPolarHBondContact O-CB 3.31Å; L29-K73 HydrophobicContact CD2-CB 3.86Å; L29-K73 HydrophobicContact CD2-CD 3.74Å; L29-K73 HydrophobicContact CD2-CG 4.46Å; L29-K73 HydrophobicContact CG-CD 3.88Å; L29-T75 HydrophobicContact CB-CG2 4.37Å; L29-A80 HydrophobicContact CD2-CB 4.48Å
30	S	96.5	Very high	97.9	Very high	73 Å²	73	35.1 Å²	35.1	51%	0.51	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.6	167.5	72.9	0	0	0	0	113.3	S28	S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-N 2.82Å; S28-S30 VanDerWaalsContact OG-N 3.12Å; S28-S30 PolarHBondContact OG-OG 2.89Å
31	T	97.6	Very high	97.9	Very high	74 Å²	74	37.8 Å²	37.8	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	-77	128.2	179.9	-61.6	0	0	0	0	110	S28 G33 I34 W55	S28-T31 WeakPolarHBondContact O-CB 3.38Å; S28-T31 PolarHBondContact O-N 2.63Å; S28-T31 VanDerWaalsContact O-N 3.11Å; S28-T31 PolarHBondContact O-OG1 2.9Å; T31-G33 PolarHBondContact O-N 3.11Å; T31-I34 HydrophobicContact CG2-CG1 4.08Å; T31-I34 WeakPolarHBondContact O-CB 3.41Å; T31-I34 PolarHBondContact O-N 3.3Å; T31-I34 VanDerWaalsContact O-N 3.09Å; T31-W55 VanDerWaalsContact O-CB 3.3Å; T31-W55 WeakPolarHBondContact O-CB 3.39Å
32	S	97.7	Very high	97.8	Very high	90 Å²	90	37.1 Å²	37.1	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	131.4	178.5	-179.5	0	0	0	0	112.4	I34	S32-I34 VanDerWaalsContact C-N 3.33Å
33	G	96.9	Very high	97.7	Very high	48 Å²	48	43 Å²	43	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	5.3	179.6	0	0	0	0	0	115.2	T31 W54	T31-G33 PolarHBondContact O-N 3.11Å; G33-W54 WeakPolarHBondContact O-CZ3 3.25Å
34	I	97.5	Very high	97.6	Very high	59 Å²	59	44.6 Å²	44.6	30%	0.303	32%	0.316	S	S	.	.			trans	-94.2	141	171.5	-57.9	-59.6	0	0	0	110.3	F27 L29 T31 S32 W54 W55	F27-I34 HydrophobicContact CD2-CG2 3.57Å; F27-I34 HydrophobicContact CE2-CG2 3.78Å; L29-I34 HydrophobicContact CD1-CG2 4.06Å; T31-I34 HydrophobicContact CG2-CG1 4.08Å; T31-I34 WeakPolarHBondContact O-CB 3.41Å; T31-I34 PolarHBondContact O-N 3.3Å; T31-I34 VanDerWaalsContact O-N 3.09Å; S32-I34 VanDerWaalsContact C-N 3.33Å; I34-W54 VanDerWaalsContact C-CE3 3.5Å; I34-W55 PolarHBondContact O-N 2.97Å
35	G	97.9	Very high	97.5	Very high	18 Å²	18	51.4 Å²	51.4	19%	0.186	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160.2	175.3	0	0	0	0	0	111.1	I53	G35-I53 CarbonylContact C-O 3.59Å; G35-I53 WeakPolarHBondContact CA-O 3.4Å
36	V	98.5	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	170.5	175.6	0	0	0	0	108.4	L4 F24 F27 L29 T52 I53 A80 C97	L4-V36 HydrophobicContact CD2-CG1 4.4Å; F24-V36 HydrophobicContact CD1-CG2 4.17Å; F24-V36 HydrophobicContact CE1-CG2 4.34Å; F27-V36 HydrophobicContact CE2-CG2 4.15Å; F27-V36 HydrophobicContact CZ-CG2 3.91Å; L29-V36 HydrophobicContact CD1-CG2 4.16Å; L29-V36 HydrophobicContact CD2-CG2 4.01Å; V36-T52 WeakPolarHBondContact O-CA 3.37Å; V36-I53 HydrophobicContact CB-CG2 4.3Å; V36-I53 PolarHBondContact N-O 2.92Å; V36-I53 PolarHBondContact O-N 3.37Å; V36-A80 HydrophobicContact CB-CB 4.12Å; V36-A80 HydrophobicContact CG1-CB 3.99Å; V36-A80 HydrophobicContact CG2-CB 4.43Å; V36-C97 HydrophobicContact CG1-CB 4.02Å
37	T	98.5	Very high	97.5	Very high	33 Å²	33	54.4 Å²	54.4	20%	0.202	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.7	-176.9	-65.2	0	0	0	0	111	I39 A51 T52 C97 A98	T37-I39 HydrophobicContact CG2-CD1 4.33Å; T37-I39 HydrophobicContact CG2-CG1 3.95Å; T37-A51 CarbonylContact C-O 3.56Å; T37-A51 WeakPolarHBondContact CA-O 3.44Å; T37-T52 WeakPolarHBondContact OG1-CG2 3.5Å; T37-T52 PolarHBondContact OG1-OG1 3.03Å; T37-C97 CarbonylContact O-C 3.41Å; T37-C97 VanDerWaalsContact O-CA 3.26Å; T37-C97 WeakPolarHBondContact O-CA 3.37Å; T37-A98 PolarHBondContact N-O 3.11Å; T37-A98 PolarHBondContact O-N 3.09Å
38	W	98.7	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	172.8	-70.4	96.6	0	0	0	110.6	Q6 L20 C22 L50 A51 L82 Y96 C97	Q6-W38 HydrophobicContact CB-CZ3 4.45Å; L20-W38 HydrophobicContact CB-CH2 3.65Å; L20-W38 HydrophobicContact CB-CZ3 3.7Å; L20-W38 HydrophobicContact CD1-CZ3 4.09Å; C22-W38 HydrophobicContact CB-CH2 3.71Å; C22-W38 HydrophobicContact CB-CZ2 3.64Å; W38-L50 HydrophobicContact CB-CB 4.15Å; W38-L50 WeakPolarHBondContact O-CB 3.46Å; W38-L50 PolarHBondContact O-N 2.77Å; W38-A51 PolarHBondContact N-O 2.78Å; W38-L82 HydrophobicContact CB-CD1 4.39Å; W38-L82 HydrophobicContact CB-CD2 4.12Å; W38-L82 HydrophobicContact CD2-CB 3.54Å; W38-L82 HydrophobicContact CD2-CD2 4.13Å; W38-L82 HydrophobicContact CD2-CG 4.35Å; W38-L82 HydrophobicContact CE3-CB 4.01Å; W38-L82 HydrophobicContact CE3-CD2 4.15Å; W38-L82 HydrophobicContact CG-CB 3.83Å; W38-L82 HydrophobicContact CG-CD1 4.25Å; W38-L82 HydrophobicContact CG-CD2 4.13Å; W38-L82 HydrophobicContact CG-CG 4.3Å; W38-L82 HydrophobicContact CH2-CB 4.34Å; W38-L82 HydrophobicContact CZ2-CB 3.93Å; W38-L82 HydrophobicContact CZ3-CB 4.38Å; W38-Y96 WeakPolarHBondContact CA-O 3.35Å; W38-C97 HydrophobicContact CD2-CB 4.44Å; W38-C97 HydrophobicContact CE3-CB 4.24Å; W38-C97 HydrophobicContact CH2-CB 4.4Å; W38-C97 HydrophobicContact CZ3-CB 4.22Å
39	I	98.5	Very high	97.6	Very high	37 Å²	37	57.4 Å²	57.4	19%	0.19	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.8	-179.4	-56.8	169.8	0	0	0	107.4	T37 L47 E48 Y96 A98	T37-I39 HydrophobicContact CG2-CD1 4.33Å; T37-I39 HydrophobicContact CG2-CG1 3.95Å; I39-L47 HydrophobicContact CG2-CB 3.83Å; I39-L47 HydrophobicContact CG2-CD2 3.86Å; I39-L47 HydrophobicContact CG2-CG 4.29Å; I39-E48 CarbonylContact C-O 3.56Å; I39-E48 WeakPolarHBondContact CA-O 3.37Å; I39-Y96 PolarHBondContact N-O 3.36Å; I39-Y96 PolarHBondContact O-N 2.78Å; I39-A98 HydrophobicContact CD1-CB 4.22Å
40	R	97.9	Very high	97.6	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.057	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.3	168	70.4	175.9	-179.2	-167.6	1.9	112	E48 L50 D91 A93 I94 Y95	R40-E48 HydrophobicContact CG-CB 4.08Å; R40-E48 IonicContact CZ-OE2 3.73Å; R40-E48 PolarHBondContact N-O 2.79Å; R40-E48 IonicContact NE-OE2 2.86Å; R40-E48 PolarHBondContact NE-OE2 3.03Å; R40-E48 IonicContact NH2-OE1 4Å; R40-E48 IonicContact NH2-OE2 2.67Å; R40-E48 PolarHBondContact NH2-OE2 2.88Å; R40-E48 PolarHBondContact O-N 3.15Å; R40-L50 HydrophobicContact CB-CD1 4Å; R40-L50 HydrophobicContact CB-CG 4.41Å; R40-L50 HydrophobicContact CG-CD1 4.08Å; R40-L50 HydrophobicContact CG-CD2 3.83Å; R40-L50 HydrophobicContact CG-CG 4.09Å; R40-D91 IonicContact CZ-OD1 2.84Å; R40-D91 IonicContact NH1-OD1 2.74Å; R40-D91 PolarHBondContact NH1-OD1 2.74Å; R40-D91 IonicContact NH2-OD1 3.87Å; R40-A93 HydrophobicContact CB-CB 3.8Å; R40-A93 HydrophobicContact CG-CB 4.24Å; R40-I94 CarbonylContact C-O 3.59Å; R40-I94 WeakPolarHBondContact CA-O 3.4Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.82Å; R40-Y95 HydrophobicContact CB-CG 4.29Å
41	Q	98	Very high	97.7	Very high	70 Å²	70	53.9 Å²	53.9	33%	0.327	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	95.9	173.1	-166.6	176.3	17.2	0	0	109.5	L47 A93 I94 Y96	Q41-L47 HydrophobicContact CB-CD2 4Å; Q41-L47 HydrophobicContact CG-CD2 4.23Å; Q41-A93 WeakPolarHBondContact O-CA 3.15Å; Q41-A93 WeakPolarHBondContact O-CB 3.08Å; Q41-I94 PolarHBondContact N-O 3.36Å; Q41-I94 PolarHBondContact O-N 2.98Å; Q41-Y96 HydrophobicContact CB-CE2 4.01Å
42	P	97.3	Very high	97.8	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.071	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	149.2	171.4	-18.2	31.3	0	0	0	110.7	G44 K45 A93	P42-G44 PolarHBondContact O-N 3.01Å; P42-K45 HydrophobicContact CB-CB 4.07Å; P42-K45 HydrophobicContact CB-CD 4Å; P42-K45 HydrophobicContact CB-CG 4.19Å; P42-K45 HydrophobicContact CG-CB 4.29Å; P42-K45 HydrophobicContact CG-CD 4.22Å; P42-K45 PolarHBondContact O-N 3.42Å; P42-A93 HydrophobicContact CB-CB 4.4Å; P42-A93 HydrophobicContact CG-CB 4.24Å
43	S	96.4	Very high	97.8	Very high	124 Å²	124	46.6 Å²	46.6	87%	0.867	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	127	178.4	-174.4	0	0	0	0	111.1	K45	S43-K45 VanDerWaalsContact C-N 3.25Å; S43-K45 PolarHBondContact O-N 2.74Å
44	G	97	Very high	97.9	Very high	87 Å²	87	48.5 Å²	48.5	90%	0.897	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	7.8	-178.8	0	0	0	0	0	115.5	P42	P42-G44 PolarHBondContact O-N 3.01Å
45	K	96.4	Very high	97.9	Very high	146 Å²	146	50.1 Å²	50.1	64%	0.635	28%	0.284	S	S	*	.	S	Bend	trans	-116.6	164.7	176.3	-59.7	-169.1	-177.3	178.2	0	111.9	P42 S43	P42-K45 HydrophobicContact CB-CB 4.07Å; P42-K45 HydrophobicContact CB-CD 4Å; P42-K45 HydrophobicContact CB-CG 4.19Å; P42-K45 HydrophobicContact CG-CB 4.29Å; P42-K45 HydrophobicContact CG-CD 4.22Å; P42-K45 PolarHBondContact O-N 3.42Å; S43-K45 VanDerWaalsContact C-N 3.25Å; S43-K45 PolarHBondContact O-N 2.74Å
46	G	96.4	Very high	97.9	Very high	54 Å²	54	53 Å²	53	56%	0.557	30%	0.295	S	S	*	.			trans	-70.7	178.7	171.6	0	0	0	0	0	112.9
47	L	97.8	Very high	97.8	Very high	117 Å²	117	57.4 Å²	57.4	61%	0.613	32%	0.319	S	S	*	.			trans	-66.1	134.4	172	-64.1	176.3	0	0	0	110.3	I39 Q41 Y96	I39-L47 HydrophobicContact CG2-CB 3.83Å; I39-L47 HydrophobicContact CG2-CD2 3.86Å; I39-L47 HydrophobicContact CG2-CG 4.29Å; Q41-L47 HydrophobicContact CB-CD2 4Å; Q41-L47 HydrophobicContact CG-CD2 4.23Å; L47-Y96 HydrophobicContact CD2-CE2 4.48Å
48	E	98.1	Very high	97.8	Very high	55 Å²	55	58.4 Å²	58.4	26%	0.257	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.7	174.7	-176.9	176.9	-161	0	0	109	I39 R40	I39-E48 CarbonylContact C-O 3.56Å; I39-E48 WeakPolarHBondContact CA-O 3.37Å; R40-E48 HydrophobicContact CG-CB 4.08Å; R40-E48 IonicContact CZ-OE2 3.73Å; R40-E48 PolarHBondContact N-O 2.79Å; R40-E48 IonicContact NE-OE2 2.86Å; R40-E48 PolarHBondContact NE-OE2 3.03Å; R40-E48 IonicContact NH2-OE1 4Å; R40-E48 IonicContact NH2-OE2 2.67Å; R40-E48 PolarHBondContact NH2-OE2 2.88Å; R40-E48 PolarHBondContact O-N 3.15Å
49	W	98.3	Very high	97.8	Very high	94 Å²	94	61 Å²	61	36%	0.356	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.1	171.8	172.8	73.5	0	0	0	110.3	T52 R60 Y61 N62	W49-T52 PolarHBondContact NE1-OG1 2.77Å; W49-R60 HydrophobicContact CH2-CB 4.04Å; W49-R60 HydrophobicContact CZ2-CB 3.84Å; W49-Y61 WeakPolarHBondContact CH2-O 3.44Å; W49-Y61 VanDerWaalsContact CZ3-O 3.28Å; W49-Y61 WeakPolarHBondContact CZ3-O 3.31Å; W49-N62 HydrophobicContact CE3-CB 3.86Å; W49-N62 HydrophobicContact CZ3-CB 4.06Å; W49-N62 VanDerWaalsContact O-CB 3.31Å; W49-N62 WeakPolarHBondContact O-CB 3.44Å; W49-N62 PolarHBondContact O-ND2 2.81Å
50	L	98.4	Very high	97.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-55.9	-178.8	-62.9	-176.1	0	0	0	112.1	W38 R40 N62 L65 L69 L82 Y95	W38-L50 HydrophobicContact CB-CB 4.15Å; W38-L50 WeakPolarHBondContact O-CB 3.46Å; W38-L50 PolarHBondContact O-N 2.77Å; R40-L50 HydrophobicContact CB-CD1 4Å; R40-L50 HydrophobicContact CB-CG 4.41Å; R40-L50 HydrophobicContact CG-CD1 4.08Å; R40-L50 HydrophobicContact CG-CD2 3.83Å; R40-L50 HydrophobicContact CG-CG 4.09Å; L50-N62 WeakPolarHBondContact O-CB 3.31Å; L50-N62 PolarHBondContact O-N 2.81Å; L50-L65 HydrophobicContact CD2-CD1 3.39Å; L50-L69 HydrophobicContact CB-CD1 3.96Å; L50-L69 HydrophobicContact CD2-CD1 4.4Å; L50-L69 VanDerWaalsContact O-CD1 3.31Å; L50-L69 WeakPolarHBondContact O-CD1 3.31Å; L50-L82 HydrophobicContact CD1-CD2 3.66Å; L50-Y95 HydrophobicContact CD1-CD1 3.84Å; L50-Y95 HydrophobicContact CD1-CE1 3.57Å
51	A	98.6	Very high	97.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	160.4	-175.8	0	0	0	0	0	111.1	T37 W38 R60 Y61 V71 L82	T37-A51 CarbonylContact C-O 3.56Å; T37-A51 WeakPolarHBondContact CA-O 3.44Å; W38-A51 PolarHBondContact N-O 2.78Å; A51-R60 CarbonylContact C-O 3.59Å; A51-R60 WeakPolarHBondContact CA-O 3.44Å; A51-R60 VanDerWaalsContact CB-O 3.31Å; A51-R60 WeakPolarHBondContact CB-O 3.29Å; A51-Y61 HydrophobicContact CB-CD1 3.74Å; A51-Y61 HydrophobicContact CB-CE1 4.12Å; A51-V71 HydrophobicContact CB-CG1 3.47Å; A51-V71 VanDerWaalsContact CB-CG1 3.47Å; A51-V71 HydrophobicContact CB-CG2 4.43Å; A51-L82 HydrophobicContact CB-CD1 4.44Å
52	T	98.6	Very high	97.8	Very high	10 Å²	10	65 Å²	65	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.5	171.2	-58.9	0	0	0	0	108.4	V36 T37 W49 W54 N59 R60	V36-T52 WeakPolarHBondContact O-CA 3.37Å; T37-T52 WeakPolarHBondContact OG1-CG2 3.5Å; T37-T52 PolarHBondContact OG1-OG1 3.03Å; W49-T52 PolarHBondContact NE1-OG1 2.77Å; T52-W54 HydrophobicContact CG2-CD2 4.29Å; T52-W54 HydrophobicContact CG2-CZ2 4.11Å; T52-N59 WeakPolarHBondContact O-CA 3.38Å; T52-R60 PolarHBondContact N-O 2.87Å; T52-R60 PolarHBondContact O-N 3.16Å
53	I	98.6	Very high	97.8	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.4	168.7	-179.2	158.1	0	0	0	109	L29 G35 V36 N59 V71 S72 K73 A80	L29-I53 HydrophobicContact CD2-CG2 4.49Å; G35-I53 CarbonylContact C-O 3.59Å; G35-I53 WeakPolarHBondContact CA-O 3.4Å; V36-I53 HydrophobicContact CB-CG2 4.3Å; V36-I53 PolarHBondContact N-O 2.92Å; V36-I53 PolarHBondContact O-N 3.37Å; I53-N59 WeakPolarHBondContact CD1-OD1 3.25Å; I53-N59 VanDerWaalsContact CG1-OD1 3.25Å; I53-N59 WeakPolarHBondContact CG1-OD1 3.44Å; I53-V71 HydrophobicContact CB-CB 4.28Å; I53-V71 HydrophobicContact CB-CG2 4.04Å; I53-S72 VanDerWaalsContact CD1-C 3.41Å; I53-K73 HydrophobicContact CD1-CB 3.82Å; I53-K73 HydrophobicContact CD1-CD 4.13Å; I53-K73 HydrophobicContact CD1-CG 3.74Å; I53-K73 HydrophobicContact CG1-CD 4.31Å; I53-K73 HydrophobicContact CG1-CG 4.46Å; I53-A80 HydrophobicContact CG2-CB 4.2Å
54	W	98.4	Very high	97.7	Very high	88 Å²	88	68.9 Å²	68.9	33%	0.333	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	166.6	176.3	-67.8	103.7	0	0	0	111.9	G33 I34 T52 D56 D57 D58 K73	G33-W54 WeakPolarHBondContact O-CZ3 3.25Å; I34-W54 VanDerWaalsContact C-CE3 3.5Å; T52-W54 HydrophobicContact CG2-CD2 4.29Å; T52-W54 HydrophobicContact CG2-CZ2 4.11Å; W54-D56 WeakPolarHBondContact CB-OD1 3.36Å; W54-D56 PolarHBondContact O-N 2.77Å; W54-D57 PolarHBondContact O-N 3.24Å; W54-D57 VanDerWaalsContact O-N 3.09Å; W54-D58 HydrophobicContact CB-CB 4.18Å; W54-D58 VanDerWaalsContact CD1-O 3.31Å; W54-D58 PolarHBondContact N-O 3.44Å; W54-K73 WeakPolarHBondContact O-CE 3.29Å
55	W	98	Very high	97.7	Very high	93 Å²	93	65.3 Å²	65.3	35%	0.352	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.1	-176.9	68.8	-78.2	0	0	0	114.9	L29 T31 I34 D57 K73	L29-W55 WeakPolarHBondContact O-CA 3.26Å; L29-W55 WeakPolarHBondContact O-CB 3.31Å; T31-W55 VanDerWaalsContact O-CB 3.3Å; T31-W55 WeakPolarHBondContact O-CB 3.39Å; I34-W55 PolarHBondContact O-N 2.97Å; W55-D57 VanDerWaalsContact C-N 3.33Å; W55-K73 VanDerWaalsContact O-CE 3.26Å; W55-K73 WeakPolarHBondContact O-CE 3.45Å; W55-K73 PolarHBondContact O-NZ 2.84Å
56	D	97.5	Very high	97.7	Very high	80 Å²	80	64.9 Å²	64.9	43%	0.428	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	15.4	-178.2	59.2	-10.9	0	0	0	113.4	W54 D58	W54-D56 WeakPolarHBondContact CB-OD1 3.36Å; W54-D56 PolarHBondContact O-N 2.77Å; D56-D58 PolarHBondContact O-N 3.37Å; D56-D58 WeakPolarHBondContact OD1-CB 3.33Å; D56-D58 PolarHBondContact OD1-N 3.36Å
57	D	97.1	Very high	97.6	Very high	91 Å²	91	67.2 Å²	67.2	49%	0.487	34%	0.339	S	S	.	.	S	Bend	trans	66	15.6	-176	-60.3	-66	0	0	0	114.1	W54 W55 N59 K73	W54-D57 PolarHBondContact O-N 3.24Å; W54-D57 VanDerWaalsContact O-N 3.09Å; W55-D57 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 3Å; D57-N59 PolarHBondContact O-ND2 3.15Å; D57-K73 WeakPolarHBondContact OD1-CE 2.9Å; D57-K73 IonicContact OD1-NZ 3.15Å; D57-K73 PolarHBondContact OD1-NZ 2.72Å; D57-K73 IonicContact OD2-NZ 3.25Å; D57-K73 PolarHBondContact OD2-NZ 3.34Å
58	D	97.9	Very high	97.6	Very high	55 Å²	55	63.3 Å²	63.3	29%	0.294	32%	0.316	S	S	.	.			trans	-66.3	115.4	164.9	-178.6	19	0	0	0	109.8	W54 D56 R60	W54-D58 HydrophobicContact CB-CB 4.18Å; W54-D58 VanDerWaalsContact CD1-O 3.31Å; W54-D58 PolarHBondContact N-O 3.44Å; D56-D58 PolarHBondContact O-N 3.37Å; D56-D58 WeakPolarHBondContact OD1-CB 3.33Å; D56-D58 PolarHBondContact OD1-N 3.36Å; D58-R60 IonicContact OD1-CZ 3.89Å; D58-R60 IonicContact OD1-NE 2.93Å; D58-R60 PolarHBondContact OD1-NE 2.94Å; D58-R60 IonicContact OD1-NH2 3.53Å; D58-R60 IonicContact OD2-CZ 3.23Å; D58-R60 VanDerWaalsContact OD2-CZ 3.23Å; D58-R60 IonicContact OD2-NE 2.71Å; D58-R60 PolarHBondContact OD2-NE 3.01Å; D58-R60 IonicContact OD2-NH2 2.77Å; D58-R60 PolarHBondContact OD2-NH2 3.13Å
59	N	97.9	Very high	97.5	Very high	54 Å²	54	61.3 Å²	61.3	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.2	-176.8	-64.8	-42.7	0	0	0	110.4	T52 I53 D57 Y61 V71	T52-N59 WeakPolarHBondContact O-CA 3.38Å; I53-N59 WeakPolarHBondContact CD1-OD1 3.25Å; I53-N59 VanDerWaalsContact CG1-OD1 3.25Å; I53-N59 WeakPolarHBondContact CG1-OD1 3.44Å; D57-N59 PolarHBondContact O-N 3Å; D57-N59 PolarHBondContact O-ND2 3.15Å; N59-Y61 HydrophobicContact CB-CE2 3.64Å; N59-V71 HydrophobicContact CB-CG2 3.84Å; N59-V71 VanDerWaalsContact OD1-CG2 3.31Å; N59-V71 WeakPolarHBondContact OD1-CG2 3.31Å
60	R	98.2	Very high	97.5	Very high	137 Å²	137	58.4 Å²	58.4	52%	0.517	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.6	175.2	-55.6	-64.8	176.3	145	-1.4	109.3	W49 A51 T52 D58	W49-R60 HydrophobicContact CH2-CB 4.04Å; W49-R60 HydrophobicContact CZ2-CB 3.84Å; A51-R60 CarbonylContact C-O 3.59Å; A51-R60 WeakPolarHBondContact CA-O 3.44Å; A51-R60 VanDerWaalsContact CB-O 3.31Å; A51-R60 WeakPolarHBondContact CB-O 3.29Å; T52-R60 PolarHBondContact N-O 2.87Å; T52-R60 PolarHBondContact O-N 3.16Å; D58-R60 IonicContact OD1-CZ 3.89Å; D58-R60 IonicContact OD1-NE 2.93Å; D58-R60 PolarHBondContact OD1-NE 2.94Å; D58-R60 IonicContact OD1-NH2 3.53Å; D58-R60 IonicContact OD2-CZ 3.23Å; D58-R60 VanDerWaalsContact OD2-CZ 3.23Å; D58-R60 IonicContact OD2-NE 2.71Å; D58-R60 PolarHBondContact OD2-NE 3.01Å; D58-R60 IonicContact OD2-NH2 2.77Å; D58-R60 PolarHBondContact OD2-NH2 3.13Å
61	Y	98.5	Very high	97.5	Very high	49 Å²	49	59 Å²	59	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.6	-177.2	-61.8	-86	0	0	0	111.1	W49 A51 N59 P63 K66 L69 V71	W49-Y61 WeakPolarHBondContact CH2-O 3.44Å; W49-Y61 VanDerWaalsContact CZ3-O 3.28Å; W49-Y61 WeakPolarHBondContact CZ3-O 3.31Å; A51-Y61 HydrophobicContact CB-CD1 3.74Å; A51-Y61 HydrophobicContact CB-CE1 4.12Å; N59-Y61 HydrophobicContact CB-CE2 3.64Å; Y61-P63 WeakPolarHBondContact O-CD 3.42Å; Y61-K66 HydrophobicContact CD2-CG 4.33Å; Y61-K66 HydrophobicContact CG-CG 4.19Å; Y61-L69 HydrophobicContact CD1-CB 3.78Å; Y61-L69 HydrophobicContact CE1-CB 4.07Å; Y61-L69 WeakPolarHBondContact CE1-O 3.46Å; Y61-V71 HydrophobicContact CE1-CG1 4.43Å; Y61-V71 HydrophobicContact CE1-CG2 3.9Å; Y61-V71 WeakPolarHBondContact OH-CG2 3.41Å; Y61-V71 PolarHBondContact OH-N 2.88Å; Y61-V71 VanDerWaalsContact OH-N 3.16Å
62	N	97.9	Very high	97.5	Very high	21 Å²	21	61 Å²	61	11%	0.112	32%	0.321	C	S	.	.			trans	-58.5	119.5	167.4	-177.4	-35	0	0	0	108.9	W49 L50 S64 L65 K66	W49-N62 HydrophobicContact CE3-CB 3.86Å; W49-N62 HydrophobicContact CZ3-CB 4.06Å; W49-N62 VanDerWaalsContact O-CB 3.31Å; W49-N62 WeakPolarHBondContact O-CB 3.44Å; W49-N62 PolarHBondContact O-ND2 2.81Å; L50-N62 WeakPolarHBondContact O-CB 3.31Å; L50-N62 PolarHBondContact O-N 2.81Å; N62-S64 PolarHBondContact O-N 3.41Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.46Å; N62-S64 PolarHBondContact OD1-N 2.91Å; N62-L65 HydrophobicContact CB-CB 4.29Å; N62-L65 HydrophobicContact CB-CD1 4.34Å; N62-L65 HydrophobicContact CB-CG 4.47Å; N62-L65 CarbonylContact O-C 3.43Å; N62-L65 PolarHBondContact O-N 3.36Å; N62-K66 PolarHBondContact O-N 2.87Å
63	P	97.6	Very high	97.5	Very high	112 Å²	112	62.8 Å²	62.8	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.8	-176.3	-28.4	35.5	0	0	0	113.6	Y61 L65	Y61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-L65 VanDerWaalsContact C-N 3.26Å; P63-L65 PolarHBondContact O-N 3.13Å
64	S	95.6	Very high	97.4	Very high	103 Å²	103	65.1 Å²	65.1	72%	0.72	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.9	-179.4	-55.8	0	0	0	0	113.7	N62	N62-S64 PolarHBondContact O-N 3.41Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.46Å; N62-S64 PolarHBondContact OD1-N 2.91Å
65	L	95.7	Very high	97.3	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.068	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-6.5	-174.8	-57.7	174.3	0	0	0	113.1	L50 N62 P63 S67 R68 L69	L50-L65 HydrophobicContact CD2-CD1 3.39Å; N62-L65 HydrophobicContact CB-CB 4.29Å; N62-L65 HydrophobicContact CB-CD1 4.34Å; N62-L65 HydrophobicContact CB-CG 4.47Å; N62-L65 CarbonylContact O-C 3.43Å; N62-L65 PolarHBondContact O-N 3.36Å; P63-L65 VanDerWaalsContact C-N 3.26Å; P63-L65 PolarHBondContact O-N 3.13Å; L65-S67 PolarHBondContact O-N 2.71Å; L65-R68 PolarHBondContact O-N 3.45Å; L65-L69 HydrophobicContact CB-CD1 3.68Å; L65-L69 HydrophobicContact CB-CG 4.06Å; L65-L69 HydrophobicContact CD1-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.42Å; L65-L69 PolarHBondContact O-N 2.02Å
66	K	95.9	Very high	97.2	Very high	136 Å²	136	64.2 Å²	64.2	59%	0.591	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-51.2	-35.2	-171.4	-179.2	178.8	178.6	-176.6	0	114	Y61 N62 R68	Y61-K66 HydrophobicContact CD2-CG 4.33Å; Y61-K66 HydrophobicContact CG-CG 4.19Å; N62-K66 PolarHBondContact O-N 2.87Å; K66-R68 PolarHBondContact O-N 2.83Å
67	S	96.1	Very high	97.2	Very high	104 Å²	104	65 Å²	65	73%	0.727	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.8	-179.8	56.2	0	0	0	0	114.2	L65	L65-S67 PolarHBondContact O-N 2.71Å
68	R	96.1	Very high	97.3	Very high	34 Å²	34	63.9 Å²	63.9	13%	0.128	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-113.9	-1.7	-176.1	-56.3	-168.1	-61.4	126.7	-1.6	113.5	L65 K66 I84 I85 T86 E88 D91	L65-R68 PolarHBondContact O-N 3.45Å; K66-R68 PolarHBondContact O-N 2.83Å; R68-I84 CarbonylContact O-C 3.57Å; R68-I84 WeakPolarHBondContact O-CA 3.41Å; R68-I85 PolarHBondContact O-N 2.96Å; R68-T86 PolarHBondContact NH1-O 3.03Å; R68-E88 IonicContact CZ-OE1 3.81Å; R68-E88 IonicContact NE-OE1 3.87Å; R68-E88 IonicContact NH1-OE1 3.72Å; R68-D91 IonicContact CZ-OD1 3.7Å; R68-D91 IonicContact CZ-OD2 3.59Å; R68-D91 IonicContact NH1-OD1 3.54Å; R68-D91 IonicContact NH1-OD2 2.69Å; R68-D91 PolarHBondContact NH1-OD2 2.95Å; R68-D91 IonicContact NH2-OD1 2.9Å; R68-D91 PolarHBondContact NH2-OD1 2.92Å; R68-D91 IonicContact NH2-OD2 3.54Å
69	L	97.8	Very high	97.3	Very high	13 Å²	13	63.7 Å²	63.7	7%	0.068	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141	-175.6	-59.7	-178.4	0	0	0	111.2	L50 Y61 L65 L82 N83 I84	L50-L69 HydrophobicContact CB-CD1 3.96Å; L50-L69 HydrophobicContact CD2-CD1 4.4Å; L50-L69 VanDerWaalsContact O-CD1 3.31Å; L50-L69 WeakPolarHBondContact O-CD1 3.31Å; Y61-L69 HydrophobicContact CD1-CB 3.78Å; Y61-L69 HydrophobicContact CE1-CB 4.07Å; Y61-L69 WeakPolarHBondContact CE1-O 3.46Å; L65-L69 HydrophobicContact CB-CD1 3.68Å; L65-L69 HydrophobicContact CB-CG 4.06Å; L65-L69 HydrophobicContact CD1-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.42Å; L65-L69 PolarHBondContact O-N 2.02Å; L69-L82 HydrophobicContact CD2-CD1 4.26Å; L69-N83 CarbonylContact C-O 3.55Å; L69-N83 WeakPolarHBondContact CA-O 3.2Å; L69-I84 HydrophobicContact CD2-CG1 3.95Å; L69-I84 HydrophobicContact CD2-CG2 4.45Å
70	A	97.9	Very high	97.4	Very high	34 Å²	34	61.1 Å²	61.1	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.8	165.9	0	0	0	0	0	109.6	N83	A70-N83 HydrophobicContact CB-CB 4.26Å; A70-N83 PolarHBondContact N-O 2.93Å; A70-N83 PolarHBondContact O-N 2.78Å
71	V	98.4	Very high	97.4	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.9	173.8	-70.2	0	0	0	0	111.1	A51 I53 N59 Y61 F81 L82	A51-V71 HydrophobicContact CB-CG1 3.47Å; A51-V71 VanDerWaalsContact CB-CG1 3.47Å; A51-V71 HydrophobicContact CB-CG2 4.43Å; I53-V71 HydrophobicContact CB-CB 4.28Å; I53-V71 HydrophobicContact CB-CG2 4.04Å; N59-V71 HydrophobicContact CB-CG2 3.84Å; N59-V71 VanDerWaalsContact OD1-CG2 3.31Å; N59-V71 WeakPolarHBondContact OD1-CG2 3.31Å; Y61-V71 HydrophobicContact CE1-CG1 4.43Å; Y61-V71 HydrophobicContact CE1-CG2 3.9Å; Y61-V71 WeakPolarHBondContact OH-CG2 3.41Å; Y61-V71 PolarHBondContact OH-N 2.88Å; Y61-V71 VanDerWaalsContact OH-N 3.16Å; V71-F81 VanDerWaalsContact CA-O 3.29Å; V71-F81 WeakPolarHBondContact CA-O 3.25Å; V71-L82 HydrophobicContact CG1-CD1 3.78Å
72	S	98.1	Very high	97.4	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.9	175.8	52.6	0	0	0	0	110.3	I53 A80 F81	I53-S72 VanDerWaalsContact CD1-C 3.41Å; S72-A80 CarbonylContact O-C 3.43Å; S72-A80 WeakPolarHBondContact O-CA 3.26Å; S72-F81 PolarHBondContact N-O 2.81Å; S72-F81 VanDerWaalsContact N-O 3.15Å; S72-F81 PolarHBondContact O-N 3.12Å
73	K	97.8	Very high	97.4	Very high	47 Å²	47	54.1 Å²	54.1	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.5	177.3	60.3	179.8	162.7	65.7	0	112.3	L29 I53 W54 W55 D57 T75 Q79	L29-K73 HydrophobicContact CD2-CB 3.86Å; L29-K73 HydrophobicContact CD2-CD 3.74Å; L29-K73 HydrophobicContact CD2-CG 4.46Å; L29-K73 HydrophobicContact CG-CD 3.88Å; I53-K73 HydrophobicContact CD1-CB 3.82Å; I53-K73 HydrophobicContact CD1-CD 4.13Å; I53-K73 HydrophobicContact CD1-CG 3.74Å; I53-K73 HydrophobicContact CG1-CD 4.31Å; I53-K73 HydrophobicContact CG1-CG 4.46Å; W54-K73 WeakPolarHBondContact O-CE 3.29Å; W55-K73 VanDerWaalsContact O-CE 3.26Å; W55-K73 WeakPolarHBondContact O-CE 3.45Å; W55-K73 PolarHBondContact O-NZ 2.84Å; D57-K73 WeakPolarHBondContact OD1-CE 2.9Å; D57-K73 IonicContact OD1-NZ 3.15Å; D57-K73 PolarHBondContact OD1-NZ 2.72Å; D57-K73 IonicContact OD2-NZ 3.25Å; D57-K73 PolarHBondContact OD2-NZ 3.34Å; K73-T75 HydrophobicContact CD-CG2 3.97Å; K73-T75 HydrophobicContact CG-CG2 4.41Å; K73-Q79 WeakPolarHBondContact CA-O 2.91Å
74	D	97.7	Very high	97.4	Very high	49 Å²	49	48.9 Å²	48.9	26%	0.262	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	94.8	166.4	176.6	-4.6	0	0	0	107.6	S76 N77 N78 Q79 F81	D74-S76 PolarHBondContact O-N 3.25Å; D74-S76 WeakPolarHBondContact OD1-CB 2.96Å; D74-S76 PolarHBondContact OD1-N 3.21Å; D74-N77 PolarHBondContact O-N 2.93Å; D74-N77 PolarHBondContact OD1-N 2.84Å; D74-N77 VanDerWaalsContact OD1-N 3.15Å; D74-N77 PolarHBondContact OD2-ND2 3.2Å; D74-N78 PolarHBondContact O-N 3.31Å; D74-N78 VanDerWaalsContact O-N 3.13Å; D74-Q79 HydrophobicContact CB-CB 4.44Å; D74-Q79 PolarHBondContact N-O 2.87Å; D74-Q79 PolarHBondContact O-N 3.27Å; D74-F81 HydrophobicContact CB-CE2 3.78Å; D74-F81 HydrophobicContact CB-CZ 4.18Å
75	T	96.1	Very high	97.4	Very high	57 Å²	57	48.5 Å²	48.5	35%	0.35	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.1	-178.9	51.1	0	0	0	0	112.7	L29 K73 N77	L29-T75 HydrophobicContact CB-CG2 4.37Å; K73-T75 HydrophobicContact CD-CG2 3.97Å; K73-T75 HydrophobicContact CG-CG2 4.41Å; T75-N77 VanDerWaalsContact C-N 3.32Å
76	S	96.5	Very high	97.4	Very high	106 Å²	106	50.6 Å²	50.6	74%	0.741	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-31.2	175.9	-62.9	0	0	0	0	111.6	D74	D74-S76 PolarHBondContact O-N 3.25Å; D74-S76 WeakPolarHBondContact OD1-CB 2.96Å; D74-S76 PolarHBondContact OD1-N 3.21Å
77	N	97.7	Very high	97.4	Very high	97 Å²	97	44.6 Å²	44.6	52%	0.519	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	7.3	177.9	-69.4	-70.8	0	0	0	114.3	D74 T75 Q79	D74-N77 PolarHBondContact O-N 2.93Å; D74-N77 PolarHBondContact OD1-N 2.84Å; D74-N77 VanDerWaalsContact OD1-N 3.15Å; D74-N77 PolarHBondContact OD2-ND2 3.2Å; T75-N77 VanDerWaalsContact C-N 3.32Å; N77-Q79 VanDerWaalsContact C-N 3.33Å; N77-Q79 HydrophobicContact CB-CG 4.33Å; N77-Q79 PolarHBondContact O-N 3.09Å
78	N	98	Very high	97.3	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.353	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	48.7	-174.6	-59.4	-48.4	0	0	0	112.7	T23 F24 D74	T23-N78 WeakPolarHBondContact CA-O 3.47Å; F24-N78 VanDerWaalsContact CD1-O 3.29Å; F24-N78 WeakPolarHBondContact CD1-O 3.39Å; F24-N78 HydrophobicContact CD2-CB 3.8Å; F24-N78 WeakPolarHBondContact CE1-O 3.2Å; F24-N78 HydrophobicContact CE2-CB 3.59Å; F24-N78 HydrophobicContact CG-CB 4.43Å; F24-N78 HydrophobicContact CZ-CB 4.09Å; F24-N78 PolarHBondContact N-O 2.96Å; F24-N78 VanDerWaalsContact O-CB 3.31Å; F24-N78 WeakPolarHBondContact O-CB 3.26Å; D74-N78 PolarHBondContact O-N 3.31Å; D74-N78 VanDerWaalsContact O-N 3.13Å
79	Q	98.6	Very high	97.2	Very high	52 Å²	52	48.3 Å²	48.3	24%	0.243	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.6	-177.6	-72.1	175.1	10.3	0	0	112.7	T21 C22 T23 K73 D74 N77 F81	T21-Q79 HydrophobicContact CG2-CB 4.24Å; T21-Q79 HydrophobicContact CG2-CG 3.92Å; C22-Q79 CarbonylContact O-C 3.57Å; C22-Q79 VanDerWaalsContact O-CA 3.25Å; C22-Q79 WeakPolarHBondContact O-CA 3.27Å; T23-Q79 HydrophobicContact CG2-CG 4.45Å; K73-Q79 WeakPolarHBondContact CA-O 2.91Å; D74-Q79 HydrophobicContact CB-CB 4.44Å; D74-Q79 PolarHBondContact N-O 2.87Å; D74-Q79 PolarHBondContact O-N 3.27Å; N77-Q79 VanDerWaalsContact C-N 3.33Å; N77-Q79 HydrophobicContact CB-CG 4.33Å; N77-Q79 PolarHBondContact O-N 3.09Å; Q79-F81 HydrophobicContact CB-CE1 4.09Å; Q79-F81 HydrophobicContact CB-CE2 4.19Å; Q79-F81 HydrophobicContact CB-CZ 3.67Å
80	A	98.6	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.9	163.4	0	0	0	0	0	108.9	C22 F24 L29 V36 I53 S72	C22-A80 HydrophobicContact CB-CB 4.42Å; C22-A80 PolarHBondContact N-O 2.75Å; C22-A80 PolarHBondContact O-N 2.84Å; F24-A80 HydrophobicContact CE1-CB 4.46Å; L29-A80 HydrophobicContact CD2-CB 4.48Å; V36-A80 HydrophobicContact CB-CB 4.12Å; V36-A80 HydrophobicContact CG1-CB 3.99Å; V36-A80 HydrophobicContact CG2-CB 4.43Å; I53-A80 HydrophobicContact CG2-CB 4.2Å; S72-A80 CarbonylContact O-C 3.43Å; S72-A80 WeakPolarHBondContact O-CA 3.26Å
81	F	98.6	Very high	96.9	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.053	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	-177	-50.1	-77.7	0	0	0	111	R19 L20 T21 V71 S72 D74 Q79	R19-F81 HydrophobicContact CG-CD1 4.49Å; R19-F81 VanDerWaalsContact NE-CD1 3.26Å; R19-F81 VanDerWaalsContact NH2-CD2 3.27Å; R19-F81 VanDerWaalsContact NH2-CG 3.29Å; L20-F81 VanDerWaalsContact O-CA 3.25Å; L20-F81 WeakPolarHBondContact O-CA 3.38Å; T21-F81 HydrophobicContact CG2-CD1 3.91Å; T21-F81 HydrophobicContact CG2-CE1 3.56Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.47Å; T21-F81 WeakPolarHBondContact OG1-CE1 3.31Å; V71-F81 VanDerWaalsContact CA-O 3.29Å; V71-F81 WeakPolarHBondContact CA-O 3.25Å; S72-F81 PolarHBondContact N-O 2.81Å; S72-F81 VanDerWaalsContact N-O 3.15Å; S72-F81 PolarHBondContact O-N 3.12Å; D74-F81 HydrophobicContact CB-CE2 3.78Å; D74-F81 HydrophobicContact CB-CZ 4.18Å; Q79-F81 HydrophobicContact CB-CE1 4.09Å; Q79-F81 HydrophobicContact CB-CE2 4.19Å; Q79-F81 HydrophobicContact CB-CZ 3.67Å
82	L	98.7	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.7	165.2	178.1	71.8	0	0	0	108.3	R19 L20 W38 L50 A51 L69 V71 I84 Y95	R19-L82 CarbonylContact C-O 3.6Å; R19-L82 WeakPolarHBondContact CA-O 3.49Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.23Å; L20-L82 PolarHBondContact N-O 2.9Å; L20-L82 PolarHBondContact O-N 2.69Å; W38-L82 HydrophobicContact CB-CD1 4.39Å; W38-L82 HydrophobicContact CB-CD2 4.12Å; W38-L82 HydrophobicContact CD2-CB 3.54Å; W38-L82 HydrophobicContact CD2-CD2 4.13Å; W38-L82 HydrophobicContact CD2-CG 4.35Å; W38-L82 HydrophobicContact CE3-CB 4.01Å; W38-L82 HydrophobicContact CE3-CD2 4.15Å; W38-L82 HydrophobicContact CG-CB 3.83Å; W38-L82 HydrophobicContact CG-CD1 4.25Å; W38-L82 HydrophobicContact CG-CD2 4.13Å; W38-L82 HydrophobicContact CG-CG 4.3Å; W38-L82 HydrophobicContact CH2-CB 4.34Å; W38-L82 HydrophobicContact CZ2-CB 3.93Å; W38-L82 HydrophobicContact CZ3-CB 4.38Å; L50-L82 HydrophobicContact CD1-CD2 3.66Å; A51-L82 HydrophobicContact CB-CD1 4.44Å; L69-L82 HydrophobicContact CD2-CD1 4.26Å; V71-L82 HydrophobicContact CG1-CD1 3.78Å; L82-I84 HydrophobicContact CD2-CD1 4.48Å; L82-I84 HydrophobicContact CD2-CG1 4.31Å; L82-I84 HydrophobicContact CG-CG1 4.36Å; L82-Y95 HydrophobicContact CD2-CD1 4.18Å; L82-Y95 HydrophobicContact CD2-CE1 4.27Å
83	N	98.1	Very high	96.8	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.251	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.3	170.3	-60.9	-54.9	0	0	0	108.9	V18 R19 L69 A70	V18-N83 CarbonylContact O-C 3.56Å; V18-N83 VanDerWaalsContact O-CA 3.29Å; V18-N83 WeakPolarHBondContact O-CA 3.08Å; R19-N83 VanDerWaalsContact CB-OD1 3.29Å; R19-N83 WeakPolarHBondContact CB-OD1 3.36Å; R19-N83 WeakPolarHBondContact CD-OD1 3.17Å; R19-N83 WeakPolarHBondContact CG-OD1 3.28Å; L69-N83 CarbonylContact C-O 3.55Å; L69-N83 WeakPolarHBondContact CA-O 3.2Å; A70-N83 HydrophobicContact CB-CB 4.26Å; A70-N83 PolarHBondContact N-O 2.93Å; A70-N83 PolarHBondContact O-N 2.78Å
84	I	97.7	Very high	96.8	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.9	168.4	-51.3	174.3	0	0	0	106.1	P17 V18 R68 L69 L82 V87 Y95	P17-I84 CarbonylContact C-O 3.52Å; P17-I84 VanDerWaalsContact CA-O 3.28Å; P17-I84 WeakPolarHBondContact CA-O 3.41Å; V18-I84 PolarHBondContact N-O 3.24Å; V18-I84 PolarHBondContact O-N 2.83Å; R68-I84 CarbonylContact O-C 3.57Å; R68-I84 WeakPolarHBondContact O-CA 3.41Å; L69-I84 HydrophobicContact CD2-CG1 3.95Å; L69-I84 HydrophobicContact CD2-CG2 4.45Å; L82-I84 HydrophobicContact CD2-CD1 4.48Å; L82-I84 HydrophobicContact CD2-CG1 4.31Å; L82-I84 HydrophobicContact CG-CG1 4.36Å; I84-V87 HydrophobicContact CB-CG1 4.02Å; I84-V87 HydrophobicContact CD1-CG1 4.5Å; I84-V87 HydrophobicContact CG2-CG1 3.8Å; I84-Y95 HydrophobicContact CD1-CE1 3.77Å
85	I	96.5	Very high	96.8	Very high	94 Å²	94	54.8 Å²	54.8	48%	0.482	32%	0.317	S	S	.	.	S	Bend	trans	-65.4	-45	-169.7	-60.1	173.8	0	0	0	110.8	P17 R68	P17-I85 WeakPolarHBondContact CA-O 3.4Å; R68-I85 PolarHBondContact O-N 2.96Å
86	T	94.9	Very high	96.9	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.35	32%	0.315	S	S	.	.	S	Bend	trans	-138	108.5	177.5	50.5	0	0	0	0	109	R68	R68-T86 PolarHBondContact NH1-O 3.03Å
87	V	95.5	Very high	97	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.067	28%	0.283	C	S	.	.			trans	-76.4	140.5	175.5	-59.8	0	0	0	0	111.8	V12 Q13 S15 Q16 V18 I84 D91	V12-V87 HydrophobicContact CG2-CG2 3.93Å; Q13-V87 VanDerWaalsContact O-CG2 3.3Å; Q13-V87 WeakPolarHBondContact O-CG2 3.3Å; S15-V87 PolarHBondContact N-O 2.86Å; Q16-V87 VanDerWaalsContact O-CG2 3.26Å; Q16-V87 WeakPolarHBondContact O-CG2 3.28Å; Q16-V87 PolarHBondContact O-N 2.91Å; V18-V87 HydrophobicContact CB-CG1 3.82Å; V18-V87 HydrophobicContact CG2-CG1 3.48Å; V18-V87 VanDerWaalsContact CG2-CG1 3.48Å; V18-V87 HydrophobicContact CG2-CG2 4.48Å; I84-V87 HydrophobicContact CB-CG1 4.02Å; I84-V87 HydrophobicContact CD1-CG1 4.5Å; I84-V87 HydrophobicContact CG2-CG1 3.8Å; V87-D91 WeakPolarHBondContact CA-OD2 3.47Å
88	E	95.1	Very high	97	Very high	102 Å²	102	50.2 Å²	50.2	48%	0.477	29%	0.288	S	S	.	.			trans	-117.9	163.8	174.3	-65.5	171.1	-161.9	0	0	109.4	R68 A90 D91	R68-E88 IonicContact CZ-OE1 3.81Å; R68-E88 IonicContact NE-OE1 3.87Å; R68-E88 IonicContact NH1-OE1 3.72Å; E88-A90 PolarHBondContact O-N 2.78Å; E88-A90 VanDerWaalsContact O-N 3.1Å; E88-D91 PolarHBondContact N-OD2 3.02Å; E88-D91 WeakPolarHBondContact O-CB 3.37Å; E88-D91 PolarHBondContact O-N 2.79Å
89	T	94	Very high	96.9	Very high	113 Å²	113	49.4 Å²	49.4	69%	0.693	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.3	-34.3	176.3	-52.2	0	0	0	0	112.1	D91 T92	T89-D91 PolarHBondContact O-N 2.88Å; T89-T92 WeakPolarHBondContact O-CB 3.3Å; T89-T92 PolarHBondContact O-N 2.86Å; T89-T92 VanDerWaalsContact O-N 3.15Å; T89-T92 PolarHBondContact O-OG1 3.25Å
90	A	93.2	Very high	96.8	Very high	67 Å²	67	49.3 Å²	49.3	55%	0.554	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.9	177.2	0	0	0	0	0	114.2	E88 T92	E88-A90 PolarHBondContact O-N 2.78Å; E88-A90 VanDerWaalsContact O-N 3.1Å; A90-T92 VanDerWaalsContact C-N 3.28Å
91	D	95.9	Very high	96.7	Very high	7 Å²	7	52 Å²	52	4%	0.037	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-85.7	0.4	176.9	-55.3	-43.2	0	0	0	112.7	R40 R68 V87 E88 T89 A93 Y95	R40-D91 IonicContact CZ-OD1 2.84Å; R40-D91 IonicContact NH1-OD1 2.74Å; R40-D91 PolarHBondContact NH1-OD1 2.74Å; R40-D91 IonicContact NH2-OD1 3.87Å; R68-D91 IonicContact CZ-OD1 3.7Å; R68-D91 IonicContact CZ-OD2 3.59Å; R68-D91 IonicContact NH1-OD1 3.54Å; R68-D91 IonicContact NH1-OD2 2.69Å; R68-D91 PolarHBondContact NH1-OD2 2.95Å; R68-D91 IonicContact NH2-OD1 2.9Å; R68-D91 PolarHBondContact NH2-OD1 2.92Å; R68-D91 IonicContact NH2-OD2 3.54Å; V87-D91 WeakPolarHBondContact CA-OD2 3.47Å; E88-D91 PolarHBondContact N-OD2 3.02Å; E88-D91 WeakPolarHBondContact O-CB 3.37Å; E88-D91 PolarHBondContact O-N 2.79Å; T89-D91 PolarHBondContact O-N 2.88Å; D91-A93 PolarHBondContact O-N 3.01Å; D91-A93 VanDerWaalsContact O-N 3.11Å; D91-Y95 WeakPolarHBondContact O-CE2 3.4Å; D91-Y95 PolarHBondContact O-OH 2.93Å
92	T	96.7	Very high	96.6	Very high	107 Å²	107	54.4 Å²	54.4	66%	0.656	32%	0.318	S	S	*	.			trans	-66.5	109.7	173.3	-53.9	0	0	0	0	110	T89 A90	T89-T92 WeakPolarHBondContact O-CB 3.3Å; T89-T92 PolarHBondContact O-N 2.86Å; T89-T92 VanDerWaalsContact O-N 3.15Å; T89-T92 PolarHBondContact O-OG1 3.25Å; A90-T92 VanDerWaalsContact C-N 3.28Å
93	A	97.5	Very high	96.5	Very high	26 Å²	26	57.8 Å²	57.8	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	165.9	-173.4	0	0	0	0	0	111.2	R40 Q41 P42 D91 Y95	R40-A93 HydrophobicContact CB-CB 3.8Å; R40-A93 HydrophobicContact CG-CB 4.24Å; Q41-A93 WeakPolarHBondContact O-CA 3.15Å; Q41-A93 WeakPolarHBondContact O-CB 3.08Å; P42-A93 HydrophobicContact CB-CB 4.4Å; P42-A93 HydrophobicContact CG-CB 4.24Å; D91-A93 PolarHBondContact O-N 3.01Å; D91-A93 VanDerWaalsContact O-N 3.11Å; A93-Y95 HydrophobicContact CB-CD2 4.38Å; A93-Y95 HydrophobicContact CB-CE2 3.91Å; A93-Y95 VanDerWaalsContact O-CD2 3.31Å; A93-Y95 WeakPolarHBondContact O-CD2 3.38Å
94	I	97.3	Very high	96.4	Very high	94 Å²	94	58.5 Å²	58.5	48%	0.482	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.3	160	-53.5	172.8	0	0	0	107.5	R40 Q41 Y96	R40-I94 CarbonylContact C-O 3.59Å; R40-I94 WeakPolarHBondContact CA-O 3.4Å; Q41-I94 PolarHBondContact N-O 3.36Å; Q41-I94 PolarHBondContact O-N 2.98Å; I94-Y96 HydrophobicContact CB-CE2 3.83Å; I94-Y96 HydrophobicContact CG2-CD2 4.29Å; I94-Y96 HydrophobicContact CG2-CE1 3.86Å; I94-Y96 HydrophobicContact CG2-CE2 3.55Å; I94-Y96 WeakPolarHBondContact CG2-OH 3.39Å
95	Y	98.2	Very high	96.3	Very high	33 Å²	33	62.4 Å²	62.4	13%	0.129	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140	177.3	-71.9	-101.3	0	0	0	110.2	Q6 L20 R40 L50 L82 I84 D91 A93	Q6-Y95 WeakPolarHBondContact CG-O 3.48Å; Q6-Y95 PolarHBondContact NE2-O 3.07Å; L20-Y95 VanDerWaalsContact CD1-CB 3.46Å; L20-Y95 HydrophobicContact CD1-CD1 3.38Å; L20-Y95 HydrophobicContact CD1-CD2 4.1Å; L20-Y95 HydrophobicContact CD1-CE1 4.12Å; L20-Y95 HydrophobicContact CD1-CG 3.37Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.82Å; R40-Y95 HydrophobicContact CB-CG 4.29Å; L50-Y95 HydrophobicContact CD1-CD1 3.84Å; L50-Y95 HydrophobicContact CD1-CE1 3.57Å; L82-Y95 HydrophobicContact CD2-CD1 4.18Å; L82-Y95 HydrophobicContact CD2-CE1 4.27Å; I84-Y95 HydrophobicContact CD1-CE1 3.77Å; D91-Y95 WeakPolarHBondContact O-CE2 3.4Å; D91-Y95 PolarHBondContact O-OH 2.93Å; A93-Y95 HydrophobicContact CB-CD2 4.38Å; A93-Y95 HydrophobicContact CB-CE2 3.91Å; A93-Y95 VanDerWaalsContact O-CD2 3.31Å; A93-Y95 WeakPolarHBondContact O-CD2 3.38Å
96	Y	98.3	Very high	96.3	Very high	76 Å²	76	60 Å²	60	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.7	-179.7	-57.6	-84.7	0	0	0	109.2	W38 I39 Q41 L47 I94	W38-Y96 WeakPolarHBondContact CA-O 3.35Å; I39-Y96 PolarHBondContact N-O 3.36Å; I39-Y96 PolarHBondContact O-N 2.78Å; Q41-Y96 HydrophobicContact CB-CE2 4.01Å; L47-Y96 HydrophobicContact CD2-CE2 4.48Å; I94-Y96 HydrophobicContact CB-CE2 3.83Å; I94-Y96 HydrophobicContact CG2-CD2 4.29Å; I94-Y96 HydrophobicContact CG2-CE1 3.86Å; I94-Y96 HydrophobicContact CG2-CE2 3.55Å; I94-Y96 WeakPolarHBondContact CG2-OH 3.39Å
97	C	98.3	Very high	96.4	Very high	11 Å²	11	60.3 Å²	60.3	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142	156.7	57.7	0	0	0	0	109.7	L4 C22 V36 T37 W38	L4-C97 HydrophobicContact CD2-CB 4.37Å; C22-C97 HydrophobicContact CB-CB 3.4Å; C22-C97 WeakPolarHBondContact CB-SG 3.16Å; C22-C97 WeakPolarHBondContact SG-CB 3.29Å; C22-C97 CovalentContact SG-SG 2.02Å; C22-C97 PolarHBondContact SG-SG 2.67Å; V36-C97 HydrophobicContact CG1-CB 4.02Å; T37-C97 CarbonylContact O-C 3.41Å; T37-C97 VanDerWaalsContact O-CA 3.26Å; T37-C97 WeakPolarHBondContact O-CA 3.37Å; W38-C97 HydrophobicContact CD2-CB 4.44Å; W38-C97 HydrophobicContact CE3-CB 4.24Å; W38-C97 HydrophobicContact CH2-CB 4.4Å; W38-C97 HydrophobicContact CZ3-CB 4.22Å
98	A	97	Very high	96.5	Very high	76 Å²	76	64.7 Å²	64.7	63%	0.628	39%	0.386	S	S	*	.			trans	-138	0	-176	0	0	0	0	0	111.1	T37 I39	T37-A98 PolarHBondContact N-O 3.11Å; T37-A98 PolarHBondContact O-N 3.09Å; I39-A98 HydrophobicContact CD1-CB 4.22Å

Retrieved 98 of 98 residues in 108.6 ms (Link to these results)

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