A0A075B5W4_MOUSE Loading...

Immunoglobulin heavy variable V8-6

AlphaFold DB , UniProt , Accession A0A075B5W4, Species MOUSE (Mus musculus, Mouse), Gene Ighv8-6, Length 100 aa.

						>A0A075B5W4_MOUSE|A0A075B5W4|Ighv8-6
QVTLKESGPGILQPSQTLSLTCSFSGFSLSTFGMGVSWIRQPSGKDLEWLAHIYWDDDKHYNPSLKSQLRISKDTSNNQVFLKITTVDTVDTATYYCARR
					

Structure Viewer

Loading PAE data...

(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	91.4	Very high	96	Very high	213 Å²	213	91.6 Å²	91.6	100%	0.995	54%	0.536	S	S	*	.				0	145.2	0	-176.2	176.3	11.8	0	0	108.2	G26	Q1-G26 WeakPolarHBondContact O-CA 3.3Å
2	V	94.5	Very high	95.8	Very high	58 Å²	58	88.8 Å²	88.8	35%	0.352	52%	0.517	S	S	.	.			trans	-81.6	133.5	177.2	175.7	0	0	0	0	109.4	S25 F27	V2-S25 WeakPolarHBondContact CA-O 3.29Å; V2-F27 HydrophobicContact CG1-CD1 4.01Å; V2-F27 HydrophobicContact CG1-CE1 4.22Å
3	T	97.6	Very high	95.7	Very high	67 Å²	67	91.6 Å²	91.6	41%	0.411	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.4	173.7	67.1	0	0	0	0	110.5	F24 S25	T3-F24 CarbonylContact O-C 3.59Å; T3-F24 VanDerWaalsContact O-CA 3.25Å; T3-F24 WeakPolarHBondContact O-CA 3.37Å; T3-S25 PolarHBondContact N-O 3.11Å; T3-S25 PolarHBondContact O-N 2.66Å; T3-S25 PolarHBondContact OG1-OG 3.27Å
4	L	98.3	Very high	95.6	Very high	49 Å²	49	90.6 Å²	90.6	26%	0.257	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.5	171.1	-59.1	172.5	0	0	0	106.9	F24 F27 C97 R99	L4-F24 HydrophobicContact CD2-CB 3.53Å; L4-F27 HydrophobicContact CD2-CE1 3.95Å; L4-F27 HydrophobicContact CD2-CZ 4.23Å; L4-C97 HydrophobicContact CB-CB 4.02Å; L4-C97 HydrophobicContact CD1-CB 3.88Å; L4-C97 WeakPolarHBondContact CD1-O 3.43Å; L4-C97 HydrophobicContact CD2-CB 4.37Å; L4-C97 HydrophobicContact CG-CB 4.31Å; L4-R99 HydrophobicContact CD1-CB 4.48Å
5	K	98.4	Very high	95.6	Very high	151 Å²	151	90.8 Å²	90.8	66%	0.657	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.2	179.4	-177.2	-178.9	179.3	-177.5	0	110.1	S23	K5-S23 PolarHBondContact N-O 3.14Å; K5-S23 PolarHBondContact O-N 2.65Å
6	E	98.6	Very high	95.7	Very high	69 Å²	69	90.5 Å²	90.5	32%	0.322	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	143.1	178.1	-56.8	80.5	-177	0	0	110.9	T21 W38 C97	E6-T21 CarbonylContact C-O 3.55Å; E6-T21 WeakPolarHBondContact CA-O 3.32Å; E6-W38 HydrophobicContact CB-CH2 4.23Å; E6-W38 HydrophobicContact CB-CZ3 4.26Å; E6-W38 HydrophobicContact CG-CH2 4.04Å; E6-W38 HydrophobicContact CG-CZ3 3.81Å; E6-C97 HydrophobicContact CG-CB 4.37Å; E6-C97 WeakPolarHBondContact OE1-CB 3.24Å; E6-C97 PolarHBondContact OE1-N 3.3Å
7	S	98.5	Very high	95.8	Very high	57 Å²	57	89.2 Å²	89.2	40%	0.399	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.9	176.1	55	0	0	0	0	110.5	L20 T21	S7-L20 CarbonylContact O-C 3.57Å; S7-L20 WeakPolarHBondContact O-CA 3.37Å; S7-T21 PolarHBondContact N-O 3.11Å; S7-T21 PolarHBondContact O-N 2.83Å; S7-T21 PolarHBondContact OG-O 2.83Å
8	G	97.5	Very high	95.9	Very high	47 Å²	47	85.1 Å²	85.1	49%	0.485	49%	0.491	S	S	.	.			trans	171.9	179.7	-178.4	0	0	0	0	0	111.7
9	P	95.2	Very high	96	Very high	60 Å²	60	83.4 Å²	83.4	39%	0.39	49%	0.485	S	S	.	.			trans	-67.8	145.9	174.8	30.7	-35.1	0	0	0	110.8	L12 L18 S19	P9-L12 HydrophobicContact CB-CD2 3.91Å; P9-L12 HydrophobicContact CB-CG 4.26Å; P9-L12 HydrophobicContact CG-CD1 3.87Å; P9-L12 HydrophobicContact CG-CD2 3.98Å; P9-L12 HydrophobicContact CG-CG 4.08Å; P9-L18 HydrophobicContact CG-CD1 3.51Å; P9-S19 VanDerWaalsContact CD-O 3.23Å; P9-S19 WeakPolarHBondContact CD-O 3.28Å
10	G	92.1	Very high	96.2	Very high	81 Å²	81	79.9 Å²	79.9	84%	0.835	46%	0.464	S	S	*	.	S	Bend	trans	-83.2	-47.9	-179.9	0	0	0	0	0	114.1
11	I	93.5	Very high	96.3	Very high	156 Å²	156	77.5 Å²	77.5	80%	0.8	45%	0.451	S	S	*	.			trans	-126.5	132.1	-177.9	-59.4	173.6	0	0	0	108.3
12	L	94.6	Very high	96.7	Very high	57 Å²	57	67.4 Å²	67.4	30%	0.298	40%	0.404	S	S	.	.			trans	-129.5	154.1	175.8	-65.7	176.7	0	0	0	109.7	P9 Q16 L18 V87	P9-L12 HydrophobicContact CB-CD2 3.91Å; P9-L12 HydrophobicContact CB-CG 4.26Å; P9-L12 HydrophobicContact CG-CD1 3.87Å; P9-L12 HydrophobicContact CG-CD2 3.98Å; P9-L12 HydrophobicContact CG-CG 4.08Å; L12-Q16 HydrophobicContact CB-CB 4.44Å; L12-L18 HydrophobicContact CD1-CB 3.74Å; L12-L18 HydrophobicContact CD1-CD1 3.85Å; L12-L18 HydrophobicContact CD1-CG 4.41Å; L12-V87 HydrophobicContact CB-CG2 4.32Å; L12-V87 HydrophobicContact CD1-CG2 4.45Å
13	Q	94.6	Very high	96.9	Very high	126 Å²	126	66.4 Å²	66.4	59%	0.589	40%	0.4	S	S	*	.			trans	-81.8	153.9	168.3	-60.8	-58.5	-44.2	0	0	110.2	Q16	Q13-Q16 HydrophobicContact CB-CG 4.2Å; Q13-Q16 VanDerWaalsContact O-CB 3.28Å; Q13-Q16 WeakPolarHBondContact O-CB 3.38Å; Q13-Q16 VanDerWaalsContact O-CG 3.3Å; Q13-Q16 WeakPolarHBondContact O-CG 3.23Å; Q13-Q16 PolarHBondContact O-N 2.91Å
14	P	94.2	Very high	96.9	Very high	77 Å²	77	63.7 Å²	63.7	50%	0.5	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	152.5	173.7	-26.4	35	0	0	0	112.7	Q16 V87	P14-Q16 PolarHBondContact O-N 3.35Å; P14-Q16 VanDerWaalsContact O-N 3.11Å; P14-V87 CarbonylContact C-O 3.48Å; P14-V87 WeakPolarHBondContact CA-O 3.23Å
15	S	94.9	Very high	96.8	Very high	94 Å²	94	63.7 Å²	63.7	66%	0.657	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	-3.9	-176.7	-52.4	0	0	0	0	116.1	V87	S15-V87 PolarHBondContact N-O 2.97Å
16	Q	97.1	Very high	96.8	Very high	86 Å²	86	59 Å²	59	40%	0.402	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-69.9	170.9	171	-66.1	-172.2	-39.3	0	0	111.4	L12 Q13 P14 T86 V87	L12-Q16 HydrophobicContact CB-CB 4.44Å; Q13-Q16 HydrophobicContact CB-CG 4.2Å; Q13-Q16 VanDerWaalsContact O-CB 3.28Å; Q13-Q16 WeakPolarHBondContact O-CB 3.38Å; Q13-Q16 VanDerWaalsContact O-CG 3.3Å; Q13-Q16 WeakPolarHBondContact O-CG 3.23Å; Q13-Q16 PolarHBondContact O-N 2.91Å; P14-Q16 PolarHBondContact O-N 3.35Å; P14-Q16 VanDerWaalsContact O-N 3.11Å; Q16-T86 PolarHBondContact O-N 3.14Å; Q16-V87 HydrophobicContact CB-CG2 4.37Å; Q16-V87 WeakPolarHBondContact O-CG2 3.44Å; Q16-V87 PolarHBondContact O-N 2.93Å
17	T	97.7	Very high	96.7	Very high	68 Å²	68	57.1 Å²	57.1	42%	0.417	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-103.9	119	173.8	-62.6	0	0	0	0	109.5	K83 I84 T85	T17-K83 HydrophobicContact CG2-CB 4.21Å; T17-I84 WeakPolarHBondContact CA-O 3.31Å; T17-T85 HydrophobicContact CG2-CG2 4.33Å
18	L	98	Very high	96.6	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128	168.9	172.9	60.5	0	0	0	109	P9 L12 L20 K83 I84 V87 Y95	P9-L18 HydrophobicContact CG-CD1 3.51Å; L12-L18 HydrophobicContact CD1-CB 3.74Å; L12-L18 HydrophobicContact CD1-CD1 3.85Å; L12-L18 HydrophobicContact CD1-CG 4.41Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 4.08Å; L18-L20 HydrophobicContact CD2-CD1 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.34Å; L18-L20 HydrophobicContact CD2-CG 4.19Å; L18-L20 HydrophobicContact CG-CD1 4.4Å; L18-L20 HydrophobicContact CG-CD2 4.14Å; L18-L20 HydrophobicContact CG-CG 3.94Å; L18-K83 CarbonylContact O-C 3.55Å; L18-K83 WeakPolarHBondContact O-CA 3.22Å; L18-I84 HydrophobicContact CB-CB 4.27Å; L18-I84 HydrophobicContact CD2-CD1 4.13Å; L18-I84 HydrophobicContact CD2-CG1 4.45Å; L18-I84 PolarHBondContact N-O 3.02Å; L18-I84 PolarHBondContact O-N 2.96Å; L18-V87 HydrophobicContact CB-CG1 3.61Å; L18-Y95 HydrophobicContact CD2-CE1 4.4Å; L18-Y95 HydrophobicContact CD2-CE2 3.9Å
19	S	98.3	Very high	96.6	Very high	53 Å²	53	54.4 Å²	54.4	37%	0.371	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.8	173.2	-62.4	0	0	0	0	109.3	P9 L82	P9-S19 VanDerWaalsContact CD-O 3.23Å; P9-S19 WeakPolarHBondContact CD-O 3.28Å; S19-L82 WeakPolarHBondContact CA-O 3.49Å
20	L	98.7	Very high	96.6	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.068	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147	178.8	-60.1	172.3	0	0	0	110.1	S7 L18 W38 F81 L82 Y95	S7-L20 CarbonylContact O-C 3.57Å; S7-L20 WeakPolarHBondContact O-CA 3.37Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 4.08Å; L18-L20 HydrophobicContact CD2-CD1 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.34Å; L18-L20 HydrophobicContact CD2-CG 4.19Å; L18-L20 HydrophobicContact CG-CD1 4.4Å; L18-L20 HydrophobicContact CG-CD2 4.14Å; L18-L20 HydrophobicContact CG-CG 3.94Å; L20-W38 HydrophobicContact CB-CH2 3.57Å; L20-W38 HydrophobicContact CB-CZ2 3.76Å; L20-W38 HydrophobicContact CB-CZ3 4.11Å; L20-W38 HydrophobicContact CD1-CE3 4.24Å; L20-W38 HydrophobicContact CD1-CH2 4.32Å; L20-W38 HydrophobicContact CD1-CZ3 3.99Å; L20-F81 VanDerWaalsContact O-CA 3.26Å; L20-F81 WeakPolarHBondContact O-CA 3.42Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.27Å; L20-L82 PolarHBondContact N-O 2.89Å; L20-L82 PolarHBondContact O-N 2.82Å; L20-Y95 HydrophobicContact CD1-CD1 3.35Å; L20-Y95 HydrophobicContact CD1-CD2 4Å; L20-Y95 HydrophobicContact CD1-CE1 3.96Å; L20-Y95 HydrophobicContact CD1-CG 3.37Å
21	T	98.8	Very high	96.9	Very high	31 Å²	31	54.8 Å²	54.8	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.5	175.9	-56.5	0	0	0	0	110.1	E6 S7 Q79 F81	E6-T21 CarbonylContact C-O 3.55Å; E6-T21 WeakPolarHBondContact CA-O 3.32Å; S7-T21 PolarHBondContact N-O 3.11Å; S7-T21 PolarHBondContact O-N 2.83Å; S7-T21 PolarHBondContact OG-O 2.83Å; T21-Q79 HydrophobicContact CG2-CB 4.27Å; T21-Q79 HydrophobicContact CG2-CG 3.93Å; T21-F81 HydrophobicContact CG2-CD1 3.9Å; T21-F81 HydrophobicContact CG2-CE1 3.59Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.37Å
22	C	98.7	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	105.4	172.5	-165.2	0	0	0	0	109.1	W38 Q79 V80 C97	C22-W38 HydrophobicContact CB-CH2 4.11Å; C22-W38 HydrophobicContact CB-CZ2 3.56Å; C22-Q79 CarbonylContact O-C 3.58Å; C22-Q79 WeakPolarHBondContact O-CA 3.46Å; C22-V80 HydrophobicContact CB-CB 4.12Å; C22-V80 VanDerWaalsContact CB-O 3.25Å; C22-V80 WeakPolarHBondContact CB-O 3.44Å; C22-V80 PolarHBondContact N-O 2.73Å; C22-V80 PolarHBondContact O-N 3.13Å; C22-C97 HydrophobicContact CB-CB 4.23Å; C22-C97 WeakPolarHBondContact CB-SG 3.36Å; C22-C97 WeakPolarHBondContact SG-CB 3.49Å; C22-C97 CovalentContact SG-SG 2.01Å; C22-C97 PolarHBondContact SG-SG 3.02Å
23	S	98.7	Very high	97.1	Very high	38 Å²	38	54.3 Å²	54.3	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.5	171.4	-59.6	0	0	0	0	109.3	K5 Q79	K5-S23 PolarHBondContact N-O 3.14Å; K5-S23 PolarHBondContact O-N 2.65Å; S23-Q79 PolarHBondContact OG-NE2 3.07Å
24	F	98.1	Very high	97.3	Very high	9 Å²	9	50 Å²	50	4%	0.039	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.9	-175.2	62.7	-99.2	0	0	0	113.3	T3 L4 F27 L29 V36 N78 V80	T3-F24 CarbonylContact O-C 3.59Å; T3-F24 VanDerWaalsContact O-CA 3.25Å; T3-F24 WeakPolarHBondContact O-CA 3.37Å; L4-F24 HydrophobicContact CD2-CB 3.53Å; F24-F27 HydrophobicContact CB-CE1 3.65Å; F24-F27 HydrophobicContact CB-CZ 3.74Å; F24-F27 HydrophobicContact CD1-CZ 4.22Å; F24-F27 HydrophobicContact CD2-CD1 4.26Å; F24-F27 HydrophobicContact CD2-CD2 4.38Å; F24-F27 AromaticContact CD2-CE1 3.66Å; F24-F27 HydrophobicContact CD2-CE1 3.66Å; F24-F27 AromaticContact CD2-CE2 3.78Å; F24-F27 HydrophobicContact CD2-CE2 3.78Å; F24-F27 AromaticContact CD2-CZ 3.37Å; F24-F27 HydrophobicContact CD2-CZ 3.37Å; F24-F27 HydrophobicContact CE2-CD2 4.48Å; F24-F27 AromaticContact CE2-CE2 3.94Å; F24-F27 HydrophobicContact CE2-CE2 3.94Å; F24-F27 HydrophobicContact CE2-CZ 4Å; F24-F27 AromaticContact CG-CE1 3.86Å; F24-F27 HydrophobicContact CG-CE1 3.86Å; F24-F27 HydrophobicContact CG-CE2 4.27Å; F24-F27 AromaticContact CG-CZ 3.51Å; F24-F27 HydrophobicContact CG-CZ 3.51Å; F24-L29 HydrophobicContact CE1-CB 4.43Å; F24-L29 HydrophobicContact CE1-CD2 4.05Å; F24-L29 HydrophobicContact CE2-CB 4.05Å; F24-L29 HydrophobicContact CZ-CB 3.6Å; F24-L29 HydrophobicContact CZ-CD2 4.01Å; F24-L29 HydrophobicContact CZ-CG 4.47Å; F24-V36 HydrophobicContact CD1-CG2 4.4Å; F24-N78 WeakPolarHBondContact CD1-O 3.41Å; F24-N78 HydrophobicContact CD2-CB 3.85Å; F24-N78 HydrophobicContact CE1-CB 4.34Å; F24-N78 WeakPolarHBondContact CE1-O 3.25Å; F24-N78 HydrophobicContact CE2-CB 3.63Å; F24-N78 WeakPolarHBondContact CE2-OD1 3.32Å; F24-N78 HydrophobicContact CG-CB 4.28Å; F24-N78 HydrophobicContact CZ-CB 3.9Å; F24-N78 PolarHBondContact N-O 2.78Å; F24-N78 VanDerWaalsContact O-CB 3.24Å; F24-N78 WeakPolarHBondContact O-CB 3.38Å; F24-V80 HydrophobicContact CD1-CG2 4.3Å; F24-V80 HydrophobicContact CE1-CG2 3.81Å
25	S	97.7	Very high	97.5	Very high	50 Å²	50	46.3 Å²	46.3	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.1	172.8	87.3	0	0	0	0	111.5	V2 T3 F27	V2-S25 WeakPolarHBondContact CA-O 3.29Å; T3-S25 PolarHBondContact N-O 3.11Å; T3-S25 PolarHBondContact O-N 2.66Å; T3-S25 PolarHBondContact OG1-OG 3.27Å; S25-F27 VanDerWaalsContact C-N 3.32Å; S25-F27 PolarHBondContact O-N 2.87Å
26	G	96.9	Very high	97.6	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	26%	0.259	S	S	.	.	S	Bend	trans	80	8.2	179	0	0	0	0	0	115.1	Q1	Q1-G26 WeakPolarHBondContact O-CA 3.3Å
27	F	96.5	Very high	97.7	Very high	30 Å²	30	38.3 Å²	38.3	13%	0.132	24%	0.243	C	C	.	.	S	Bend	trans	-153.4	165.8	166.5	69	-81.5	0	0	0	109.7	V2 L4 F24 S25 L29 M34 V36 R99	V2-F27 HydrophobicContact CG1-CD1 4.01Å; V2-F27 HydrophobicContact CG1-CE1 4.22Å; L4-F27 HydrophobicContact CD2-CE1 3.95Å; L4-F27 HydrophobicContact CD2-CZ 4.23Å; F24-F27 HydrophobicContact CB-CE1 3.65Å; F24-F27 HydrophobicContact CB-CZ 3.74Å; F24-F27 HydrophobicContact CD1-CZ 4.22Å; F24-F27 HydrophobicContact CD2-CD1 4.26Å; F24-F27 HydrophobicContact CD2-CD2 4.38Å; F24-F27 AromaticContact CD2-CE1 3.66Å; F24-F27 HydrophobicContact CD2-CE1 3.66Å; F24-F27 AromaticContact CD2-CE2 3.78Å; F24-F27 HydrophobicContact CD2-CE2 3.78Å; F24-F27 AromaticContact CD2-CZ 3.37Å; F24-F27 HydrophobicContact CD2-CZ 3.37Å; F24-F27 HydrophobicContact CE2-CD2 4.48Å; F24-F27 AromaticContact CE2-CE2 3.94Å; F24-F27 HydrophobicContact CE2-CE2 3.94Å; F24-F27 HydrophobicContact CE2-CZ 4Å; F24-F27 AromaticContact CG-CE1 3.86Å; F24-F27 HydrophobicContact CG-CE1 3.86Å; F24-F27 HydrophobicContact CG-CE2 4.27Å; F24-F27 AromaticContact CG-CZ 3.51Å; F24-F27 HydrophobicContact CG-CZ 3.51Å; S25-F27 VanDerWaalsContact C-N 3.32Å; S25-F27 PolarHBondContact O-N 2.87Å; F27-L29 HydrophobicContact CE2-CB 4.36Å; F27-M34 HydrophobicContact CB-CE 4.23Å; F27-M34 HydrophobicContact CD2-CE 3.65Å; F27-M34 HydrophobicContact CE2-CE 4.3Å; F27-M34 HydrophobicContact CG-CE 4.12Å; F27-V36 HydrophobicContact CE2-CG2 3.96Å; F27-V36 HydrophobicContact CZ-CG2 3.72Å; F27-R99 HydrophobicContact CD1-CG 4.2Å; F27-R99 HydrophobicContact CD2-CG 4.27Å; F27-R99 HydrophobicContact CE1-CB 4.41Å; F27-R99 HydrophobicContact CE1-CG 4.03Å; F27-R99 HydrophobicContact CE2-CG 4.12Å; F27-R99 HydrophobicContact CG-CG 4.31Å; F27-R99 HydrophobicContact CZ-CB 4.49Å; F27-R99 HydrophobicContact CZ-CG 4Å
28	S	97	Very high	97.8	Very high	45 Å²	45	35 Å²	35	32%	0.315	22%	0.224	S	C	.	.			trans	-109.8	126.5	171.9	-176.1	0	0	0	0	110.5	S30 T31 M34	S28-S30 PolarHBondContact O-N 2.97Å; S28-S30 PolarHBondContact OG-N 3.24Å; S28-S30 VanDerWaalsContact OG-N 3.14Å; S28-S30 PolarHBondContact OG-OG 2.88Å; S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 PolarHBondContact O-N 3.07Å; S28-M34 WeakPolarHBondContact O-CG 3.28Å
29	L	97.4	Very high	97.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	8.9	170.9	-169.3	55	0	0	0	112.2	F24 F27 M34 V36 W55 K73 T75 V80	F24-L29 HydrophobicContact CE1-CB 4.43Å; F24-L29 HydrophobicContact CE1-CD2 4.05Å; F24-L29 HydrophobicContact CE2-CB 4.05Å; F24-L29 HydrophobicContact CZ-CB 3.6Å; F24-L29 HydrophobicContact CZ-CD2 4.01Å; F24-L29 HydrophobicContact CZ-CG 4.47Å; F27-L29 HydrophobicContact CE2-CB 4.36Å; L29-M34 HydrophobicContact CD1-CB 4.28Å; L29-V36 HydrophobicContact CD1-CG2 4.33Å; L29-V36 HydrophobicContact CD2-CG2 4.09Å; L29-W55 WeakPolarHBondContact O-CA 3.4Å; L29-W55 VanDerWaalsContact O-CB 3.31Å; L29-W55 WeakPolarHBondContact O-CB 3.42Å; L29-K73 HydrophobicContact CD2-CB 4.08Å; L29-K73 HydrophobicContact CD2-CD 3.73Å; L29-K73 HydrophobicContact CG-CD 4.05Å; L29-T75 HydrophobicContact CB-CG2 4.29Å; L29-V80 HydrophobicContact CD2-CG2 3.52Å
30	S	96	Very high	97.8	Very high	77 Å²	77	34 Å²	34	54%	0.538	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.6	164.7	66.2	0	0	0	0	113.3	S28	S28-S30 PolarHBondContact O-N 2.97Å; S28-S30 PolarHBondContact OG-N 3.24Å; S28-S30 VanDerWaalsContact OG-N 3.14Å; S28-S30 PolarHBondContact OG-OG 2.88Å
31	T	96.9	Very high	97.8	Very high	73 Å²	73	36.9 Å²	36.9	45%	0.448	23%	0.226	S	C	.	.	S	Bend	trans	-72.9	133.2	179.3	-62.6	0	0	0	0	110.3	S28 G33 M34 W55	S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 PolarHBondContact O-N 3.07Å; T31-G33 PolarHBondContact O-N 3.22Å; T31-M34 HydrophobicContact CG2-CG 3.98Å; T31-M34 VanDerWaalsContact O-CB 3.24Å; T31-M34 WeakPolarHBondContact O-CB 3.22Å; T31-M34 WeakPolarHBondContact O-CG 3.47Å; T31-M34 PolarHBondContact O-N 3.39Å; T31-W55 WeakPolarHBondContact O-CB 3.14Å
32	F	97.2	Very high	97.7	Very high	167 Å²	167	36.2 Å²	36.2	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	131.9	177.9	-177.3	-90.3	0	0	0	112.3	M34 W55	F32-M34 VanDerWaalsContact C-N 3.25Å; F32-M34 PolarHBondContact O-N 2.89Å; F32-W55 HydrophobicContact CD2-CD2 4.42Å; F32-W55 AromaticContact CD2-CE2 3.53Å; F32-W55 AromaticContact CD2-CH2 3.73Å; F32-W55 HydrophobicContact CD2-CH2 3.73Å; F32-W55 AromaticContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ2 3.14Å; F32-W55 AromaticContact CD2-NE1 3.97Å; F32-W55 HydrophobicContact CE2-CH2 4.25Å; F32-W55 AromaticContact CE2-CZ2 3.47Å; F32-W55 HydrophobicContact CE2-CZ2 3.47Å; F32-W55 VanDerWaalsContact CE2-CZ2 3.47Å; F32-W55 HydrophobicContact CG-CZ2 4.19Å
33	G	96	Very high	97.6	Very high	36 Å²	36	42.2 Å²	42.2	37%	0.371	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-11.7	-179	0	0	0	0	0	115.5	T31 W55	T31-G33 PolarHBondContact O-N 3.22Å; G33-W55 VanDerWaalsContact N-NE1 3.13Å
34	M	98	Very high	97.5	Very high	34 Å²	34	44.5 Å²	44.5	17%	0.167	29%	0.293	C	S	.	.			trans	-72.2	142.3	179.4	-65.7	-55.9	-51.5	0	0	111.6	F27 S28 L29 T31 F32 Y54 W55 R99 R100	F27-M34 HydrophobicContact CB-CE 4.23Å; F27-M34 HydrophobicContact CD2-CE 3.65Å; F27-M34 HydrophobicContact CE2-CE 4.3Å; F27-M34 HydrophobicContact CG-CE 4.12Å; S28-M34 WeakPolarHBondContact O-CG 3.28Å; L29-M34 HydrophobicContact CD1-CB 4.28Å; T31-M34 HydrophobicContact CG2-CG 3.98Å; T31-M34 VanDerWaalsContact O-CB 3.24Å; T31-M34 WeakPolarHBondContact O-CB 3.22Å; T31-M34 WeakPolarHBondContact O-CG 3.47Å; T31-M34 PolarHBondContact O-N 3.39Å; F32-M34 VanDerWaalsContact C-N 3.25Å; F32-M34 PolarHBondContact O-N 2.89Å; M34-Y54 CarbonylContact O-C 3.54Å; M34-Y54 WeakPolarHBondContact O-CA 3.35Å; M34-W55 PolarHBondContact O-N 3.37Å; M34-R99 HydrophobicContact CE-CG 3.58Å; M34-R100 VanDerWaalsContact CE-O 3.3Å; M34-R100 WeakPolarHBondContact CE-O 3.3Å
35	G	98.2	Very high	97.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162.4	175.5	0	0	0	0	0	113	I53 R100	G35-I53 VanDerWaalsContact CA-O 3.23Å; G35-I53 WeakPolarHBondContact CA-O 3.33Å; G35-R100 PolarHBondContact O-N 3.3Å
36	V	98.7	Very high	97.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.3	169	177.6	0	0	0	0	108.7	F24 F27 L29 H52 I53 V80 C97 A98	F24-V36 HydrophobicContact CD1-CG2 4.4Å; F27-V36 HydrophobicContact CE2-CG2 3.96Å; F27-V36 HydrophobicContact CZ-CG2 3.72Å; L29-V36 HydrophobicContact CD1-CG2 4.33Å; L29-V36 HydrophobicContact CD2-CG2 4.09Å; V36-H52 VanDerWaalsContact O-CA 3.3Å; V36-H52 WeakPolarHBondContact O-CA 2.78Å; V36-I53 PolarHBondContact N-O 2.75Å; V36-I53 PolarHBondContact O-N 3.01Å; V36-V80 HydrophobicContact CB-CB 4.33Å; V36-V80 HydrophobicContact CB-CG1 4.42Å; V36-V80 HydrophobicContact CB-CG2 3.77Å; V36-V80 HydrophobicContact CG1-CB 4.09Å; V36-V80 HydrophobicContact CG1-CG1 4.25Å; V36-V80 HydrophobicContact CG1-CG2 4.03Å; V36-V80 HydrophobicContact CG2-CG2 3.98Å; V36-C97 HydrophobicContact CG1-CB 4.4Å; V36-A98 WeakPolarHBondContact CA-O 3.39Å
37	S	98.6	Very high	97.4	Very high	11 Å²	11	58 Å²	58	8%	0.077	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.1	177.1	-58.2	0	0	0	0	110.8	A51 H52 C97 A98	S37-A51 CarbonylContact C-O 3.55Å; S37-A51 VanDerWaalsContact CA-O 3.3Å; S37-A51 WeakPolarHBondContact CA-O 3.21Å; S37-H52 VanDerWaalsContact OG-CB 3.23Å; S37-H52 WeakPolarHBondContact OG-CB 3.43Å; S37-C97 CarbonylContact O-C 3.58Å; S37-C97 VanDerWaalsContact O-CA 3.31Å; S37-C97 WeakPolarHBondContact O-CA 3.36Å; S37-A98 PolarHBondContact N-O 3.36Å; S37-A98 PolarHBondContact O-N 2.93Å
38	W	98.8	Very high	97.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.6	164.2	-80.3	98.1	0	0	0	110.3	E6 L20 C22 L50 A51 L82 Y96	E6-W38 HydrophobicContact CB-CH2 4.23Å; E6-W38 HydrophobicContact CB-CZ3 4.26Å; E6-W38 HydrophobicContact CG-CH2 4.04Å; E6-W38 HydrophobicContact CG-CZ3 3.81Å; L20-W38 HydrophobicContact CB-CH2 3.57Å; L20-W38 HydrophobicContact CB-CZ2 3.76Å; L20-W38 HydrophobicContact CB-CZ3 4.11Å; L20-W38 HydrophobicContact CD1-CE3 4.24Å; L20-W38 HydrophobicContact CD1-CH2 4.32Å; L20-W38 HydrophobicContact CD1-CZ3 3.99Å; C22-W38 HydrophobicContact CB-CH2 4.11Å; C22-W38 HydrophobicContact CB-CZ2 3.56Å; W38-L50 HydrophobicContact CB-CB 4.41Å; W38-L50 WeakPolarHBondContact O-CB 3.26Å; W38-L50 PolarHBondContact O-N 3.4Å; W38-A51 PolarHBondContact N-O 2.8Å; W38-A51 PolarHBondContact O-N 3.46Å; W38-L82 HydrophobicContact CB-CD2 3.84Å; W38-L82 HydrophobicContact CD2-CB 3.96Å; W38-L82 HydrophobicContact CD2-CD2 4.27Å; W38-L82 HydrophobicContact CG-CB 3.79Å; W38-L82 HydrophobicContact CG-CD2 3.92Å; W38-L82 HydrophobicContact CG-CG 4.31Å; W38-L82 HydrophobicContact CZ2-CB 4.48Å; W38-Y96 WeakPolarHBondContact CA-O 2.96Å
39	I	98.6	Very high	97.6	Very high	34 Å²	34	61.1 Å²	61.1	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.5	179.2	-59.7	167	0	0	0	106.7	L47 E48 Y95 Y96 A98	I39-L47 HydrophobicContact CG2-CB 3.83Å; I39-L47 HydrophobicContact CG2-CD2 3.72Å; I39-L47 HydrophobicContact CG2-CG 4.27Å; I39-E48 CarbonylContact C-O 3.57Å; I39-E48 WeakPolarHBondContact CA-O 3.41Å; I39-E48 WeakPolarHBondContact CG2-O 3.49Å; I39-Y95 WeakPolarHBondContact O-CA 3.19Å; I39-Y96 PolarHBondContact N-O 3.38Å; I39-Y96 PolarHBondContact O-N 2.85Å; I39-A98 HydrophobicContact CD1-CB 3.9Å
40	R	97.8	Very high	97.6	Very high	13 Å²	13	61.1 Å²	61.1	5%	0.049	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.3	169.2	69.8	176.2	-180	-169.2	1.2	111.8	E48 L50 D91 A93 T94 Y95	R40-E48 HydrophobicContact CG-CB 4.05Å; R40-E48 IonicContact CZ-OE2 3.21Å; R40-E48 PolarHBondContact N-O 3.45Å; R40-E48 IonicContact NE-OE2 3.7Å; R40-E48 PolarHBondContact NE-OE2 2.72Å; R40-E48 IonicContact NH2-OE1 3.8Å; R40-E48 IonicContact NH2-OE2 3.85Å; R40-E48 PolarHBondContact NH2-OE2 3.45Å; R40-E48 PolarHBondContact O-N 2.92Å; R40-L50 HydrophobicContact CB-CD1 3.99Å; R40-L50 HydrophobicContact CB-CG 4.47Å; R40-L50 HydrophobicContact CG-CD1 4.04Å; R40-L50 HydrophobicContact CG-CD2 3.93Å; R40-L50 HydrophobicContact CG-CG 4.13Å; R40-D91 IonicContact CZ-OD1 2.72Å; R40-D91 IonicContact NH1-OD1 3.76Å; R40-D91 PolarHBondContact NH1-OD1 3.1Å; R40-A93 HydrophobicContact CB-CB 3.84Å; R40-A93 HydrophobicContact CG-CB 4.3Å; R40-T94 CarbonylContact C-O 3.56Å; R40-T94 VanDerWaalsContact CA-O 3.28Å; R40-T94 WeakPolarHBondContact CA-O 3.28Å; R40-Y95 HydrophobicContact CB-CD1 3.72Å; R40-Y95 HydrophobicContact CB-CE1 3.64Å; R40-Y95 HydrophobicContact CB-CG 4.28Å; R40-Y95 HydrophobicContact CG-CE1 4.43Å
41	Q	98.2	Very high	97.7	Very high	72 Å²	72	57.4 Å²	57.4	34%	0.336	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	101.4	172	-163.6	175.7	12.7	0	0	109.8	K45 L47 A93 T94 Y96	Q41-K45 WeakPolarHBondContact CG-O 3.42Å; Q41-K45 PolarHBondContact NE2-O 2.88Å; Q41-L47 HydrophobicContact CB-CD2 3.82Å; Q41-L47 HydrophobicContact CG-CD2 4.11Å; Q41-A93 WeakPolarHBondContact O-CA 3.45Å; Q41-A93 WeakPolarHBondContact O-CB 3.42Å; Q41-T94 PolarHBondContact N-O 3.3Å; Q41-T94 PolarHBondContact O-N 2.79Å; Q41-Y96 HydrophobicContact CB-CE2 3.81Å
42	P	97.3	Very high	97.8	Very high	18 Å²	18	54.9 Å²	54.9	12%	0.117	31%	0.306	C	S	.	.			trans	-61.2	147.6	167.4	-18.8	31.6	0	0	0	110.3	G44 K45 A93	P42-G44 PolarHBondContact O-N 2.77Å; P42-K45 HydrophobicContact CB-CB 4.06Å; P42-K45 HydrophobicContact CB-CD 3.94Å; P42-K45 HydrophobicContact CB-CG 4.12Å; P42-K45 HydrophobicContact CG-CB 4.34Å; P42-K45 HydrophobicContact CG-CD 4.25Å; P42-K45 PolarHBondContact O-N 3.21Å; P42-A93 HydrophobicContact CG-CB 4.29Å
43	S	96.4	Very high	97.9	Very high	125 Å²	125	47 Å²	47	87%	0.874	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	126.3	179.9	-173	0	0	0	0	111.3	K45	S43-K45 VanDerWaalsContact C-N 3.28Å; S43-K45 PolarHBondContact O-N 2.85Å
44	G	96.8	Very high	98	Very high	86 Å²	86	47.2 Å²	47.2	89%	0.887	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.5	-179.1	0	0	0	0	0	115.4	P42	P42-G44 PolarHBondContact O-N 2.77Å
45	K	96.9	Very high	98	Very high	142 Å²	142	49.6 Å²	49.6	62%	0.617	27%	0.269	S	S	*	.	S	Bend	trans	-120.5	168.4	177.6	-58.5	-166	-176.5	178.3	0	112.2	Q41 P42 S43	Q41-K45 WeakPolarHBondContact CG-O 3.42Å; Q41-K45 PolarHBondContact NE2-O 2.88Å; P42-K45 HydrophobicContact CB-CB 4.06Å; P42-K45 HydrophobicContact CB-CD 3.94Å; P42-K45 HydrophobicContact CB-CG 4.12Å; P42-K45 HydrophobicContact CG-CB 4.34Å; P42-K45 HydrophobicContact CG-CD 4.25Å; P42-K45 PolarHBondContact O-N 3.21Å; S43-K45 VanDerWaalsContact C-N 3.28Å; S43-K45 PolarHBondContact O-N 2.85Å
46	D	97.3	Very high	98	Very high	146 Å²	146	53.5 Å²	53.5	78%	0.781	29%	0.289	S	S	*	.			trans	-69.4	167.2	174.2	-63.9	-38.5	0	0	0	112.4
47	L	97.8	Very high	97.9	Very high	108 Å²	108	57.3 Å²	57.3	57%	0.565	31%	0.31	S	S	*	.			trans	-69	131.7	173.4	-67.3	169.6	0	0	0	110.7	I39 Q41 Y96	I39-L47 HydrophobicContact CG2-CB 3.83Å; I39-L47 HydrophobicContact CG2-CD2 3.72Å; I39-L47 HydrophobicContact CG2-CG 4.27Å; Q41-L47 HydrophobicContact CB-CD2 3.82Å; Q41-L47 HydrophobicContact CG-CD2 4.11Å; L47-Y96 HydrophobicContact CD2-CD2 4.25Å; L47-Y96 HydrophobicContact CD2-CE2 4.35Å
48	E	97.9	Very high	97.9	Very high	57 Å²	57	60.1 Å²	60.1	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.5	173.4	-176.4	178	-162	0	0	109.7	I39 R40 L50 N62	I39-E48 CarbonylContact C-O 3.57Å; I39-E48 WeakPolarHBondContact CA-O 3.41Å; I39-E48 WeakPolarHBondContact CG2-O 3.49Å; R40-E48 HydrophobicContact CG-CB 4.05Å; R40-E48 IonicContact CZ-OE2 3.21Å; R40-E48 PolarHBondContact N-O 3.45Å; R40-E48 IonicContact NE-OE2 3.7Å; R40-E48 PolarHBondContact NE-OE2 2.72Å; R40-E48 IonicContact NH2-OE1 3.8Å; R40-E48 IonicContact NH2-OE2 3.85Å; R40-E48 PolarHBondContact NH2-OE2 3.45Å; R40-E48 PolarHBondContact O-N 2.92Å; E48-L50 HydrophobicContact CG-CD2 4.4Å; E48-N62 PolarHBondContact OE1-ND2 2.93Å
49	W	98.2	Very high	97.9	Very high	83 Å²	83	63.6 Å²	63.6	31%	0.314	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.7	171.9	176.1	79.2	0	0	0	110.3	A51 H52 H60 N62	W49-A51 VanDerWaalsContact CZ2-C 3.47Å; W49-A51 PolarHBondContact NE1-O 2.77Å; W49-H52 AromaticContact CE2-ND1 3.82Å; W49-H52 HydrophobicContact CZ2-CB 4.12Å; W49-H52 AromaticContact CZ2-CG 3.9Å; W49-H52 AromaticContact CZ2-ND1 3.18Å; W49-H52 WeakPolarHBondContact CZ2-ND1 3.28Å; W49-H60 HydrophobicContact CH2-CB 3.87Å; W49-H60 HydrophobicContact CZ2-CB 4.21Å; W49-N62 HydrophobicContact CE3-CB 4.02Å; W49-N62 VanDerWaalsContact CZ3-CA 3.47Å; W49-N62 HydrophobicContact CZ3-CB 4.09Å; W49-N62 WeakPolarHBondContact O-CB 3.35Å; W49-N62 PolarHBondContact O-ND2 2.99Å
50	L	98.4	Very high	97.9	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-57.3	-175.9	-62.1	-178.7	0	0	0	112.4	W38 R40 E48 Y61 N62 L65 L69 L82 I84 Y95	W38-L50 HydrophobicContact CB-CB 4.41Å; W38-L50 WeakPolarHBondContact O-CB 3.26Å; W38-L50 PolarHBondContact O-N 3.4Å; R40-L50 HydrophobicContact CB-CD1 3.99Å; R40-L50 HydrophobicContact CB-CG 4.47Å; R40-L50 HydrophobicContact CG-CD1 4.04Å; R40-L50 HydrophobicContact CG-CD2 3.93Å; R40-L50 HydrophobicContact CG-CG 4.13Å; E48-L50 HydrophobicContact CG-CD2 4.4Å; L50-Y61 CarbonylContact O-C 3.53Å; L50-N62 WeakPolarHBondContact O-CB 3.25Å; L50-N62 PolarHBondContact O-N 3.04Å; L50-L65 HydrophobicContact CD2-CD1 3.49Å; L50-L65 VanDerWaalsContact CD2-CD1 3.49Å; L50-L69 HydrophobicContact CB-CD1 3.94Å; L50-L69 HydrophobicContact CD2-CD1 4.45Å; L50-L69 WeakPolarHBondContact O-CD1 3.32Å; L50-L82 HydrophobicContact CB-CD2 4.46Å; L50-L82 HydrophobicContact CD1-CD2 3.65Å; L50-I84 HydrophobicContact CD1-CD1 4.33Å; L50-Y95 HydrophobicContact CD1-CD1 3.89Å; L50-Y95 HydrophobicContact CD1-CE1 3.62Å
51	A	98.7	Very high	97.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	160.5	-175.6	0	0	0	0	0	110.4	S37 W38 W49 H60 Y61 I71 L82	S37-A51 CarbonylContact C-O 3.55Å; S37-A51 VanDerWaalsContact CA-O 3.3Å; S37-A51 WeakPolarHBondContact CA-O 3.21Å; W38-A51 PolarHBondContact N-O 2.8Å; W38-A51 PolarHBondContact O-N 3.46Å; W49-A51 VanDerWaalsContact CZ2-C 3.47Å; W49-A51 PolarHBondContact NE1-O 2.77Å; A51-H60 CarbonylContact C-O 3.58Å; A51-H60 WeakPolarHBondContact CA-O 3.3Å; A51-Y61 HydrophobicContact CB-CD1 3.7Å; A51-Y61 HydrophobicContact CB-CE1 4.14Å; A51-I71 HydrophobicContact CB-CB 4.08Å; A51-I71 HydrophobicContact CB-CD1 3.97Å; A51-I71 HydrophobicContact CB-CG2 4.19Å; A51-L82 HydrophobicContact CB-CD1 4.19Å
52	H	98.1	Very high	97.9	Very high	20 Å²	20	65.2 Å²	65.2	9%	0.093	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.5	168.2	72.9	-115.6	0	0	0	111.2	V36 S37 W49 Y54 K59 H60	V36-H52 VanDerWaalsContact O-CA 3.3Å; V36-H52 WeakPolarHBondContact O-CA 2.78Å; S37-H52 VanDerWaalsContact OG-CB 3.23Å; S37-H52 WeakPolarHBondContact OG-CB 3.43Å; W49-H52 AromaticContact CE2-ND1 3.82Å; W49-H52 HydrophobicContact CZ2-CB 4.12Å; W49-H52 AromaticContact CZ2-CG 3.9Å; W49-H52 AromaticContact CZ2-ND1 3.18Å; W49-H52 WeakPolarHBondContact CZ2-ND1 3.28Å; H52-Y54 AromaticContact CD2-CD2 3.69Å; H52-Y54 AromaticContact CD2-CE2 3.44Å; H52-Y54 VanDerWaalsContact CD2-CE2 3.44Å; H52-Y54 WeakPolarHBondContact CD2-CE2 3.46Å; H52-Y54 AromaticContact CD2-CZ 3.97Å; H52-Y54 AromaticContact CE1-CE2 4Å; H52-Y54 AromaticContact NE2-CD2 3.59Å; H52-Y54 AromaticContact NE2-CE2 2.96Å; H52-Y54 WeakPolarHBondContact NE2-CE2 3.31Å; H52-Y54 AromaticContact NE2-CZ 3.63Å; H52-K59 WeakPolarHBondContact O-CA 3.31Å; H52-H60 AromaticContact CD2-ND1 3.8Å; H52-H60 WeakPolarHBondContact CE1-CB 3.45Å; H52-H60 AromaticContact CE1-CG 3.5Å; H52-H60 VanDerWaalsContact CE1-CG 3.5Å; H52-H60 AromaticContact CE1-ND1 3.3Å; H52-H60 PolarHBondContact CE1-ND1 3.01Å; H52-H60 VanDerWaalsContact CE1-ND1 3.3Å; H52-H60 PolarHBondContact N-O 3.2Å; H52-H60 AromaticContact NE2-CE1 3.79Å; H52-H60 AromaticContact NE2-CG 3.44Å; H52-H60 AromaticContact NE2-ND1 2.79Å; H52-H60 PolarHBondContact NE2-ND1 3.44Å; H52-H60 PolarHBondContact O-N 2.77Å; H52-H60 VanDerWaalsContact O-N 3.11Å
53	I	98.7	Very high	97.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.2	175.6	-170.3	168.4	0	0	0	109.6	G35 V36 D58 K59 I71 K73 V80	G35-I53 VanDerWaalsContact CA-O 3.23Å; G35-I53 WeakPolarHBondContact CA-O 3.33Å; V36-I53 PolarHBondContact N-O 2.75Å; V36-I53 PolarHBondContact O-N 3.01Å; I53-D58 WeakPolarHBondContact CA-O 3.33Å; I53-K59 HydrophobicContact CB-CG 4.37Å; I53-K59 HydrophobicContact CD1-CD 4.37Å; I53-K59 HydrophobicContact CD1-CG 4.04Å; I53-K59 HydrophobicContact CG1-CG 3.92Å; I53-I71 HydrophobicContact CB-CD1 4Å; I53-I71 HydrophobicContact CB-CG1 4.22Å; I53-I71 HydrophobicContact CB-CG2 4.3Å; I53-I71 HydrophobicContact CG2-CD1 3.86Å; I53-I71 HydrophobicContact CG2-CG1 4.09Å; I53-K73 HydrophobicContact CD1-CB 4.1Å; I53-K73 HydrophobicContact CD1-CD 3.96Å; I53-K73 HydrophobicContact CD1-CG 3.81Å; I53-K73 HydrophobicContact CG1-CD 4.24Å; I53-K73 HydrophobicContact CG2-CB 4.42Å; I53-V80 HydrophobicContact CG2-CG1 3.75Å; I53-V80 HydrophobicContact CG2-CG2 4.21Å
54	Y	98.4	Very high	97.9	Very high	42 Å²	42	68.6 Å²	68.6	17%	0.165	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	172.2	177.5	-74.8	-69.7	0	0	0	112.5	M34 H52 D56 D57 D58 K73 R100	M34-Y54 CarbonylContact O-C 3.54Å; M34-Y54 WeakPolarHBondContact O-CA 3.35Å; H52-Y54 AromaticContact CD2-CD2 3.69Å; H52-Y54 AromaticContact CD2-CE2 3.44Å; H52-Y54 VanDerWaalsContact CD2-CE2 3.44Å; H52-Y54 WeakPolarHBondContact CD2-CE2 3.46Å; H52-Y54 AromaticContact CD2-CZ 3.97Å; H52-Y54 AromaticContact CE1-CE2 4Å; H52-Y54 AromaticContact NE2-CD2 3.59Å; H52-Y54 AromaticContact NE2-CE2 2.96Å; H52-Y54 WeakPolarHBondContact NE2-CE2 3.31Å; H52-Y54 AromaticContact NE2-CZ 3.63Å; Y54-D56 VanDerWaalsContact CB-OD1 3.28Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.4Å; Y54-D56 PolarHBondContact O-N 2.72Å; Y54-D57 PolarHBondContact O-N 2.01Å; Y54-D57 VanDerWaalsContact O-N 3.1Å; Y54-D58 HydrophobicContact CD2-CB 4.27Å; Y54-D58 PolarHBondContact N-O 2.82Å; Y54-K73 PolarHBondContact O-NZ 2.88Å; Y54-R100 HydrophobicContact CE1-CG 4.35Å; Y54-R100 VanDerWaalsContact OH-CD 3.31Å; Y54-R100 WeakPolarHBondContact OH-CD 3.42Å; Y54-R100 PolarHBondContact OH-NE 3.46Å
55	W	98	Very high	97.8	Very high	83 Å²	83	65.6 Å²	65.6	31%	0.314	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29	178	70.5	-78.2	0	0	0	114.9	L29 T31 F32 G33 M34 K73	L29-W55 WeakPolarHBondContact O-CA 3.4Å; L29-W55 VanDerWaalsContact O-CB 3.31Å; L29-W55 WeakPolarHBondContact O-CB 3.42Å; T31-W55 WeakPolarHBondContact O-CB 3.14Å; F32-W55 HydrophobicContact CD2-CD2 4.42Å; F32-W55 AromaticContact CD2-CE2 3.53Å; F32-W55 AromaticContact CD2-CH2 3.73Å; F32-W55 HydrophobicContact CD2-CH2 3.73Å; F32-W55 AromaticContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ2 3.14Å; F32-W55 AromaticContact CD2-NE1 3.97Å; F32-W55 HydrophobicContact CE2-CH2 4.25Å; F32-W55 AromaticContact CE2-CZ2 3.47Å; F32-W55 HydrophobicContact CE2-CZ2 3.47Å; F32-W55 VanDerWaalsContact CE2-CZ2 3.47Å; F32-W55 HydrophobicContact CG-CZ2 4.19Å; G33-W55 VanDerWaalsContact N-NE1 3.13Å; M34-W55 PolarHBondContact O-N 3.37Å; W55-K73 PolarHBondContact O-NZ 2.9Å
56	D	97.6	Very high	97.8	Very high	83 Å²	83	65 Å²	65	44%	0.444	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14	179.3	58.1	-2.1	0	0	0	113.7	Y54 D58	Y54-D56 VanDerWaalsContact CB-OD1 3.28Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.4Å; Y54-D56 PolarHBondContact O-N 2.72Å; D56-D58 PolarHBondContact O-N 2.87Å; D56-D58 VanDerWaalsContact OD1-CB 3.3Å; D56-D58 WeakPolarHBondContact OD1-CB 3.49Å; D56-D58 PolarHBondContact OD1-N 2.88Å
57	D	97.8	Very high	97.7	Very high	81 Å²	81	62.3 Å²	62.3	43%	0.433	32%	0.32	S	S	.	.			trans	68.8	10.2	-177.6	-79.5	-77.4	0	0	0	115.4	Y54 K59 K73	Y54-D57 PolarHBondContact O-N 2.01Å; Y54-D57 VanDerWaalsContact O-N 3.1Å; D57-K59 WeakPolarHBondContact O-CG 3.44Å; D57-K59 PolarHBondContact O-N 2.8Å; D57-K59 PolarHBondContact O-NZ 2.83Å; D57-K59 IonicContact OD1-NZ 3.52Å; D57-K73 WeakPolarHBondContact OD1-CE 3.31Å; D57-K73 IonicContact OD1-NZ 3.97Å; D57-K73 WeakPolarHBondContact OD2-CE 3.48Å; D57-K73 IonicContact OD2-NZ 2.95Å; D57-K73 PolarHBondContact OD2-NZ 2.79Å
58	D	98.2	Very high	97.7	Very high	70 Å²	70	59.8 Å²	59.8	37%	0.374	31%	0.306	S	S	.	.			trans	-63.8	134.3	168.6	-176	34.8	0	0	0	110.6	I53 Y54 D56 H60	I53-D58 WeakPolarHBondContact CA-O 3.33Å; Y54-D58 HydrophobicContact CD2-CB 4.27Å; Y54-D58 PolarHBondContact N-O 2.82Å; D56-D58 PolarHBondContact O-N 2.87Å; D56-D58 VanDerWaalsContact OD1-CB 3.3Å; D56-D58 WeakPolarHBondContact OD1-CB 3.49Å; D56-D58 PolarHBondContact OD1-N 2.88Å; D58-H60 IonicContact OD1-CE1 3.14Å; D58-H60 IonicContact OD2-CE1 2.66Å; D58-H60 PolarHBondContact OD2-CE1 3.05Å; D58-H60 IonicContact OD2-ND1 2.75Å; D58-H60 IonicContact OD2-NE2 3.96Å
59	K	98.5	Very high	97.7	Very high	73 Å²	73	57.1 Å²	57.1	32%	0.317	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126	-170	-67.3	172.3	-165.6	65.5	0	110.1	H52 I53 D57 Y61 I71	H52-K59 WeakPolarHBondContact O-CA 3.31Å; I53-K59 HydrophobicContact CB-CG 4.37Å; I53-K59 HydrophobicContact CD1-CD 4.37Å; I53-K59 HydrophobicContact CD1-CG 4.04Å; I53-K59 HydrophobicContact CG1-CG 3.92Å; D57-K59 WeakPolarHBondContact O-CG 3.44Å; D57-K59 PolarHBondContact O-N 2.8Å; D57-K59 PolarHBondContact O-NZ 2.83Å; D57-K59 IonicContact OD1-NZ 3.52Å; K59-Y61 HydrophobicContact CB-CE2 3.91Å; K59-Y61 WeakPolarHBondContact CD-OH 3.47Å; K59-I71 HydrophobicContact CB-CG2 4.18Å; K59-I71 HydrophobicContact CD-CG2 4Å; K59-I71 WeakPolarHBondContact CE-O 3.43Å; K59-I71 HydrophobicContact CG-CG2 3.87Å
60	H	98.2	Very high	97.7	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.389	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.7	169.8	-61.8	89.6	0	0	0	110.4	W49 A51 H52 D58	W49-H60 HydrophobicContact CH2-CB 3.87Å; W49-H60 HydrophobicContact CZ2-CB 4.21Å; A51-H60 CarbonylContact C-O 3.58Å; A51-H60 WeakPolarHBondContact CA-O 3.3Å; H52-H60 AromaticContact CD2-ND1 3.8Å; H52-H60 WeakPolarHBondContact CE1-CB 3.45Å; H52-H60 AromaticContact CE1-CG 3.5Å; H52-H60 VanDerWaalsContact CE1-CG 3.5Å; H52-H60 AromaticContact CE1-ND1 3.3Å; H52-H60 PolarHBondContact CE1-ND1 3.01Å; H52-H60 VanDerWaalsContact CE1-ND1 3.3Å; H52-H60 PolarHBondContact N-O 3.2Å; H52-H60 AromaticContact NE2-CE1 3.79Å; H52-H60 AromaticContact NE2-CG 3.44Å; H52-H60 AromaticContact NE2-ND1 2.79Å; H52-H60 PolarHBondContact NE2-ND1 3.44Å; H52-H60 PolarHBondContact O-N 2.77Å; H52-H60 VanDerWaalsContact O-N 3.11Å; D58-H60 IonicContact OD1-CE1 3.14Å; D58-H60 IonicContact OD2-CE1 2.66Å; D58-H60 PolarHBondContact OD2-CE1 3.05Å; D58-H60 IonicContact OD2-ND1 2.75Å; D58-H60 IonicContact OD2-NE2 3.96Å
61	Y	98.6	Very high	97.7	Very high	47 Å²	47	59.5 Å²	59.5	18%	0.184	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.4	-178.9	-56.7	-87.2	0	0	0	109.6	L50 A51 K59 P63 K66 L69 I71	L50-Y61 CarbonylContact O-C 3.53Å; A51-Y61 HydrophobicContact CB-CD1 3.7Å; A51-Y61 HydrophobicContact CB-CE1 4.14Å; K59-Y61 HydrophobicContact CB-CE2 3.91Å; K59-Y61 WeakPolarHBondContact CD-OH 3.47Å; Y61-P63 WeakPolarHBondContact O-CD 3.43Å; Y61-K66 HydrophobicContact CD2-CG 4.32Å; Y61-K66 HydrophobicContact CG-CG 4.32Å; Y61-L69 HydrophobicContact CD1-CB 3.81Å; Y61-L69 HydrophobicContact CE1-CB 4.3Å; Y61-I71 HydrophobicContact CE1-CB 4.21Å; Y61-I71 HydrophobicContact CE1-CG2 3.65Å
62	N	97.9	Very high	97.7	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.112	32%	0.321	C	S	.	.			trans	-56.7	119.6	167.3	-177.7	-33.3	0	0	0	108.2	E48 W49 L50 S64 L65 K66	E48-N62 PolarHBondContact OE1-ND2 2.93Å; W49-N62 HydrophobicContact CE3-CB 4.02Å; W49-N62 VanDerWaalsContact CZ3-CA 3.47Å; W49-N62 HydrophobicContact CZ3-CB 4.09Å; W49-N62 WeakPolarHBondContact O-CB 3.35Å; W49-N62 PolarHBondContact O-ND2 2.99Å; L50-N62 WeakPolarHBondContact O-CB 3.25Å; L50-N62 PolarHBondContact O-N 3.04Å; N62-S64 PolarHBondContact O-N 3.47Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.49Å; N62-S64 PolarHBondContact OD1-N 3.41Å; N62-L65 HydrophobicContact CB-CB 4.43Å; N62-L65 CarbonylContact O-C 3.56Å; N62-L65 PolarHBondContact O-N 2.82Å; N62-K66 PolarHBondContact O-N 2.87Å
63	P	97.7	Very high	97.7	Very high	110 Å²	110	62.8 Å²	62.8	71%	0.714	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.4	-175.4	-28.8	36	0	0	0	113.5	Y61 L65	Y61-P63 WeakPolarHBondContact O-CD 3.43Å; P63-L65 VanDerWaalsContact C-N 3.28Å; P63-L65 PolarHBondContact O-N 2.96Å
64	S	95.6	Very high	97.7	Very high	105 Å²	105	65 Å²	65	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.7	-178.9	-55.9	0	0	0	0	113.7	N62	N62-S64 PolarHBondContact O-N 3.47Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-S64 WeakPolarHBondContact OD1-CB 3.49Å; N62-S64 PolarHBondContact OD1-N 3.41Å
65	L	95.6	Very high	97.6	Very high	22 Å²	22	65.9 Å²	65.9	12%	0.115	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	0.3	-175.4	-59.2	173.6	0	0	0	112.7	L50 N62 P63 S67 Q68 L69	L50-L65 HydrophobicContact CD2-CD1 3.49Å; L50-L65 VanDerWaalsContact CD2-CD1 3.49Å; N62-L65 HydrophobicContact CB-CB 4.43Å; N62-L65 CarbonylContact O-C 3.56Å; N62-L65 PolarHBondContact O-N 2.82Å; P63-L65 VanDerWaalsContact C-N 3.28Å; P63-L65 PolarHBondContact O-N 2.96Å; L65-S67 PolarHBondContact O-N 3.1Å; L65-Q68 PolarHBondContact O-N 2.83Å; L65-L69 HydrophobicContact CB-CD1 3.64Å; L65-L69 HydrophobicContact CB-CG 3.91Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 WeakPolarHBondContact O-CG 3.24Å; L65-L69 PolarHBondContact O-N 2.93Å
66	K	96.4	Very high	97.5	Very high	129 Å²	129	66.9 Å²	66.9	56%	0.561	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.4	-170.4	-178.5	173	-178.8	178.3	0	113.7	Y61 N62 Q68 R70	Y61-K66 HydrophobicContact CD2-CG 4.32Å; Y61-K66 HydrophobicContact CG-CG 4.32Å; N62-K66 PolarHBondContact O-N 2.87Å; K66-Q68 VanDerWaalsContact C-N 3.31Å; K66-Q68 PolarHBondContact O-N 3.42Å; K66-R70 PolarHBondContact O-NH1 2.88Å
67	S	96.1	Very high	97.5	Very high	90 Å²	90	67.8 Å²	67.8	63%	0.629	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.8	179	54.5	0	0	0	0	112.7	L65 R70	L65-S67 PolarHBondContact O-N 3.1Å; S67-R70 PolarHBondContact O-NH1 2.93Å; S67-R70 PolarHBondContact O-NH2 3.44Å
68	Q	96.5	Very high	97.5	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.262	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-27.7	-173.4	-65.3	173.1	-4	0	0	113.7	L65 K66 T85	L65-Q68 PolarHBondContact O-N 2.83Å; K66-Q68 VanDerWaalsContact C-N 3.31Å; K66-Q68 PolarHBondContact O-N 3.42Å; Q68-T85 WeakPolarHBondContact CA-OG1 3.13Å; Q68-T85 PolarHBondContact O-N 3.49Å; Q68-T85 PolarHBondContact O-OG1 2.72Å
69	L	98.3	Very high	97.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.9	-171.9	-59.5	178.5	0	0	0	112.8	L50 Y61 L65 L82 K83 I84	L50-L69 HydrophobicContact CB-CD1 3.94Å; L50-L69 HydrophobicContact CD2-CD1 4.45Å; L50-L69 WeakPolarHBondContact O-CD1 3.32Å; Y61-L69 HydrophobicContact CD1-CB 3.81Å; Y61-L69 HydrophobicContact CE1-CB 4.3Å; L65-L69 HydrophobicContact CB-CD1 3.64Å; L65-L69 HydrophobicContact CB-CG 3.91Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 WeakPolarHBondContact O-CG 3.24Å; L65-L69 PolarHBondContact O-N 2.93Å; L69-L82 HydrophobicContact CD2-CD1 4.34Å; L69-K83 CarbonylContact C-O 3.56Å; L69-K83 WeakPolarHBondContact CA-O 3.2Å; L69-I84 HydrophobicContact CD2-CB 4.32Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.7Å; L69-I84 HydrophobicContact CD2-CG2 4.14Å
70	R	98.5	Very high	97.6	Very high	127 Å²	127	62.5 Å²	62.5	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.1	166.9	-59	-67.4	179.1	-80.4	-6.9	109.4	K66 S67 L82 K83	K66-R70 PolarHBondContact O-NH1 2.88Å; S67-R70 PolarHBondContact O-NH1 2.93Å; S67-R70 PolarHBondContact O-NH2 3.44Å; R70-L82 CarbonylContact O-C 3.53Å; R70-L82 WeakPolarHBondContact O-CA 3.11Å; R70-K83 HydrophobicContact CB-CB 4.26Å; R70-K83 PolarHBondContact N-O 3.02Å; R70-K83 PolarHBondContact O-N 3.24Å
71	I	98.7	Very high	97.6	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.2	176.1	-165.5	172	0	0	0	109.7	A51 I53 K59 Y61 V80 F81 L82	A51-I71 HydrophobicContact CB-CB 4.08Å; A51-I71 HydrophobicContact CB-CD1 3.97Å; A51-I71 HydrophobicContact CB-CG2 4.19Å; I53-I71 HydrophobicContact CB-CD1 4Å; I53-I71 HydrophobicContact CB-CG1 4.22Å; I53-I71 HydrophobicContact CB-CG2 4.3Å; I53-I71 HydrophobicContact CG2-CD1 3.86Å; I53-I71 HydrophobicContact CG2-CG1 4.09Å; K59-I71 HydrophobicContact CB-CG2 4.18Å; K59-I71 HydrophobicContact CD-CG2 4Å; K59-I71 WeakPolarHBondContact CE-O 3.43Å; K59-I71 HydrophobicContact CG-CG2 3.87Å; Y61-I71 HydrophobicContact CE1-CB 4.21Å; Y61-I71 HydrophobicContact CE1-CG2 3.65Å; I71-V80 HydrophobicContact CD1-CG1 4.01Å; I71-V80 HydrophobicContact CG1-CG1 3.92Å; I71-F81 VanDerWaalsContact CA-O 3.31Å; I71-F81 WeakPolarHBondContact CA-O 2.86Å; I71-F81 WeakPolarHBondContact CG1-O 3.36Å; I71-L82 HydrophobicContact CB-CD1 4.42Å
72	S	98.5	Very high	97.6	Very high	54 Å²	54	58.9 Å²	58.9	38%	0.378	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	166.8	177.5	56	0	0	0	0	109.8	V80 F81	S72-V80 CarbonylContact O-C 3.54Å; S72-V80 WeakPolarHBondContact O-CA 3.21Å; S72-V80 WeakPolarHBondContact O-CG1 3.34Å; S72-F81 PolarHBondContact N-O 2.91Å; S72-F81 PolarHBondContact O-N 2.83Å
73	K	98.2	Very high	97.6	Very high	34 Å²	34	62.8 Å²	62.8	15%	0.148	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.7	178.5	67.5	-177.3	179.4	-174	0	111.2	L29 I53 Y54 W55 D57 T75 Q79 V80	L29-K73 HydrophobicContact CD2-CB 4.08Å; L29-K73 HydrophobicContact CD2-CD 3.73Å; L29-K73 HydrophobicContact CG-CD 4.05Å; I53-K73 HydrophobicContact CD1-CB 4.1Å; I53-K73 HydrophobicContact CD1-CD 3.96Å; I53-K73 HydrophobicContact CD1-CG 3.81Å; I53-K73 HydrophobicContact CG1-CD 4.24Å; I53-K73 HydrophobicContact CG2-CB 4.42Å; Y54-K73 PolarHBondContact O-NZ 2.88Å; W55-K73 PolarHBondContact O-NZ 2.9Å; D57-K73 WeakPolarHBondContact OD1-CE 3.31Å; D57-K73 IonicContact OD1-NZ 3.97Å; D57-K73 WeakPolarHBondContact OD2-CE 3.48Å; D57-K73 IonicContact OD2-NZ 2.95Å; D57-K73 PolarHBondContact OD2-NZ 2.79Å; K73-T75 HydrophobicContact CD-CG2 4.14Å; K73-Q79 CarbonylContact C-O 3.54Å; K73-Q79 VanDerWaalsContact CA-O 3.31Å; K73-Q79 WeakPolarHBondContact CA-O 3.12Å; K73-V80 HydrophobicContact CB-CG2 3.99Å
74	D	97.9	Very high	97.6	Very high	47 Å²	47	57.6 Å²	57.6	25%	0.251	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	100.8	165.9	177.1	1.8	0	0	0	108	S76 N77 N78 Q79 F81	D74-S76 VanDerWaalsContact C-N 3.28Å; D74-S76 PolarHBondContact O-N 2.67Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.37Å; D74-N77 PolarHBondContact O-N 3.21Å; D74-N77 PolarHBondContact OD1-N 2.85Å; D74-N77 PolarHBondContact OD2-ND2 3.11Å; D74-N78 PolarHBondContact O-N 3.49Å; D74-N78 VanDerWaalsContact O-N 3.1Å; D74-Q79 PolarHBondContact N-O 2.92Å; D74-Q79 PolarHBondContact O-N 3.06Å; D74-F81 HydrophobicContact CB-CE2 3.86Å; D74-F81 HydrophobicContact CB-CZ 4.4Å
75	T	96.2	Very high	97.7	Very high	61 Å²	61	54.7 Å²	54.7	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-22	-179.2	48.1	0	0	0	0	112.8	L29 K73 N77 N78	L29-T75 HydrophobicContact CB-CG2 4.29Å; K73-T75 HydrophobicContact CD-CG2 4.14Å; T75-N77 VanDerWaalsContact C-N 3.27Å; T75-N77 PolarHBondContact O-N 2.93Å; T75-N78 PolarHBondContact O-N 2.96Å
76	S	96.4	Very high	97.6	Very high	104 Å²	104	57.4 Å²	57.4	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.3	177.5	-49.6	0	0	0	0	111.2	D74	D74-S76 VanDerWaalsContact C-N 3.28Å; D74-S76 PolarHBondContact O-N 2.67Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.37Å
77	N	97.9	Very high	97.6	Very high	102 Å²	102	51.9 Å²	51.9	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	5.8	178.4	-69	-63.9	0	0	0	113.6	D74 T75 Q79	D74-N77 PolarHBondContact O-N 3.21Å; D74-N77 PolarHBondContact OD1-N 2.85Å; D74-N77 PolarHBondContact OD2-ND2 3.11Å; T75-N77 VanDerWaalsContact C-N 3.27Å; T75-N77 PolarHBondContact O-N 2.93Å; N77-Q79 HydrophobicContact CB-CG 4.38Å; N77-Q79 PolarHBondContact O-N 3.5Å
78	N	98	Very high	97.5	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	52.3	-174.1	-63.2	-52.7	0	0	0	112.9	F24 D74 T75	F24-N78 WeakPolarHBondContact CD1-O 3.41Å; F24-N78 HydrophobicContact CD2-CB 3.85Å; F24-N78 HydrophobicContact CE1-CB 4.34Å; F24-N78 WeakPolarHBondContact CE1-O 3.25Å; F24-N78 HydrophobicContact CE2-CB 3.63Å; F24-N78 WeakPolarHBondContact CE2-OD1 3.32Å; F24-N78 HydrophobicContact CG-CB 4.28Å; F24-N78 HydrophobicContact CZ-CB 3.9Å; F24-N78 PolarHBondContact N-O 2.78Å; F24-N78 VanDerWaalsContact O-CB 3.24Å; F24-N78 WeakPolarHBondContact O-CB 3.38Å; D74-N78 PolarHBondContact O-N 3.49Å; D74-N78 VanDerWaalsContact O-N 3.1Å; T75-N78 PolarHBondContact O-N 2.96Å
79	Q	98.7	Very high	97.3	Very high	51 Å²	51	53.8 Å²	53.8	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.6	-177	-75.4	175.5	-10.3	0	0	113.4	T21 C22 S23 K73 D74 N77 F81	T21-Q79 HydrophobicContact CG2-CB 4.27Å; T21-Q79 HydrophobicContact CG2-CG 3.93Å; C22-Q79 CarbonylContact O-C 3.58Å; C22-Q79 WeakPolarHBondContact O-CA 3.46Å; S23-Q79 PolarHBondContact OG-NE2 3.07Å; K73-Q79 CarbonylContact C-O 3.54Å; K73-Q79 VanDerWaalsContact CA-O 3.31Å; K73-Q79 WeakPolarHBondContact CA-O 3.12Å; D74-Q79 PolarHBondContact N-O 2.92Å; D74-Q79 PolarHBondContact O-N 3.06Å; N77-Q79 HydrophobicContact CB-CG 4.38Å; N77-Q79 PolarHBondContact O-N 3.5Å; Q79-F81 HydrophobicContact CB-CE1 4.17Å; Q79-F81 HydrophobicContact CB-CE2 4.08Å; Q79-F81 HydrophobicContact CB-CZ 3.67Å; Q79-F81 HydrophobicContact CG-CZ 4.49Å; Q79-F81 VanDerWaalsContact OE1-CZ 3.3Å
80	V	98.7	Very high	97.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.3	167	177.3	0	0	0	0	109.3	C22 F24 L29 V36 I53 I71 S72 K73	C22-V80 HydrophobicContact CB-CB 4.12Å; C22-V80 VanDerWaalsContact CB-O 3.25Å; C22-V80 WeakPolarHBondContact CB-O 3.44Å; C22-V80 PolarHBondContact N-O 2.73Å; C22-V80 PolarHBondContact O-N 3.13Å; F24-V80 HydrophobicContact CD1-CG2 4.3Å; F24-V80 HydrophobicContact CE1-CG2 3.81Å; L29-V80 HydrophobicContact CD2-CG2 3.52Å; V36-V80 HydrophobicContact CB-CB 4.33Å; V36-V80 HydrophobicContact CB-CG1 4.42Å; V36-V80 HydrophobicContact CB-CG2 3.77Å; V36-V80 HydrophobicContact CG1-CB 4.09Å; V36-V80 HydrophobicContact CG1-CG1 4.25Å; V36-V80 HydrophobicContact CG1-CG2 4.03Å; V36-V80 HydrophobicContact CG2-CG2 3.98Å; I53-V80 HydrophobicContact CG2-CG1 3.75Å; I53-V80 HydrophobicContact CG2-CG2 4.21Å; I71-V80 HydrophobicContact CD1-CG1 4.01Å; I71-V80 HydrophobicContact CG1-CG1 3.92Å; S72-V80 CarbonylContact O-C 3.54Å; S72-V80 WeakPolarHBondContact O-CA 3.21Å; S72-V80 WeakPolarHBondContact O-CG1 3.34Å; K73-V80 HydrophobicContact CB-CG2 3.99Å
81	F	98.8	Very high	96.9	Very high	54 Å²	54	52.8 Å²	52.8	24%	0.237	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.4	-176.5	-50.3	-80.4	0	0	0	110.8	L20 T21 I71 S72 D74 Q79	L20-F81 VanDerWaalsContact O-CA 3.26Å; L20-F81 WeakPolarHBondContact O-CA 3.42Å; T21-F81 HydrophobicContact CG2-CD1 3.9Å; T21-F81 HydrophobicContact CG2-CE1 3.59Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.37Å; I71-F81 VanDerWaalsContact CA-O 3.31Å; I71-F81 WeakPolarHBondContact CA-O 2.86Å; I71-F81 WeakPolarHBondContact CG1-O 3.36Å; S72-F81 PolarHBondContact N-O 2.91Å; S72-F81 PolarHBondContact O-N 2.83Å; D74-F81 HydrophobicContact CB-CE2 3.86Å; D74-F81 HydrophobicContact CB-CZ 4.4Å; Q79-F81 HydrophobicContact CB-CE1 4.17Å; Q79-F81 HydrophobicContact CB-CE2 4.08Å; Q79-F81 HydrophobicContact CB-CZ 3.67Å; Q79-F81 HydrophobicContact CG-CZ 4.49Å; Q79-F81 VanDerWaalsContact OE1-CZ 3.3Å
82	L	98.8	Very high	96.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129	166.1	-176.5	71.1	0	0	0	109.2	S19 L20 W38 L50 A51 L69 R70 I71 I84	S19-L82 WeakPolarHBondContact CA-O 3.49Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.27Å; L20-L82 PolarHBondContact N-O 2.89Å; L20-L82 PolarHBondContact O-N 2.82Å; W38-L82 HydrophobicContact CB-CD2 3.84Å; W38-L82 HydrophobicContact CD2-CB 3.96Å; W38-L82 HydrophobicContact CD2-CD2 4.27Å; W38-L82 HydrophobicContact CG-CB 3.79Å; W38-L82 HydrophobicContact CG-CD2 3.92Å; W38-L82 HydrophobicContact CG-CG 4.31Å; W38-L82 HydrophobicContact CZ2-CB 4.48Å; L50-L82 HydrophobicContact CB-CD2 4.46Å; L50-L82 HydrophobicContact CD1-CD2 3.65Å; A51-L82 HydrophobicContact CB-CD1 4.19Å; L69-L82 HydrophobicContact CD2-CD1 4.34Å; R70-L82 CarbonylContact O-C 3.53Å; R70-L82 WeakPolarHBondContact O-CA 3.11Å; I71-L82 HydrophobicContact CB-CD1 4.42Å; L82-I84 HydrophobicContact CD2-CD1 4.07Å; L82-I84 HydrophobicContact CD2-CG1 4.05Å; L82-I84 HydrophobicContact CG-CG1 4.21Å
83	K	98.4	Very high	96.8	Very high	104 Å²	104	56.2 Å²	56.2	45%	0.452	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	164.8	-62.4	-175.1	176.3	180	0	110	T17 L18 L69 R70	T17-K83 HydrophobicContact CG2-CB 4.21Å; L18-K83 CarbonylContact O-C 3.55Å; L18-K83 WeakPolarHBondContact O-CA 3.22Å; L69-K83 CarbonylContact C-O 3.56Å; L69-K83 WeakPolarHBondContact CA-O 3.2Å; R70-K83 HydrophobicContact CB-CB 4.26Å; R70-K83 PolarHBondContact N-O 3.02Å; R70-K83 PolarHBondContact O-N 3.24Å
84	I	98	Very high	96.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.8	169	-46.3	-169.9	0	0	0	106.1	T17 L18 L50 L69 L82 V87 Y95	T17-I84 WeakPolarHBondContact CA-O 3.31Å; L18-I84 HydrophobicContact CB-CB 4.27Å; L18-I84 HydrophobicContact CD2-CD1 4.13Å; L18-I84 HydrophobicContact CD2-CG1 4.45Å; L18-I84 PolarHBondContact N-O 3.02Å; L18-I84 PolarHBondContact O-N 2.96Å; L50-I84 HydrophobicContact CD1-CD1 4.33Å; L69-I84 HydrophobicContact CD2-CB 4.32Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.7Å; L69-I84 HydrophobicContact CD2-CG2 4.14Å; L82-I84 HydrophobicContact CD2-CD1 4.07Å; L82-I84 HydrophobicContact CD2-CG1 4.05Å; L82-I84 HydrophobicContact CG-CG1 4.21Å; I84-V87 HydrophobicContact CB-CG1 4.16Å; I84-V87 HydrophobicContact CG2-CG1 4.17Å; I84-V87 WeakPolarHBondContact O-CG1 3.18Å; I84-Y95 HydrophobicContact CD1-CE1 3.6Å
85	T	96.5	Very high	96.8	Very high	44 Å²	44	57.3 Å²	57.3	27%	0.27	33%	0.329	S	S	.	.	S	Bend	trans	-81.8	149.2	178.2	54.3	0	0	0	0	110	T17 Q68	T17-T85 HydrophobicContact CG2-CG2 4.33Å; Q68-T85 WeakPolarHBondContact CA-OG1 3.13Å; Q68-T85 PolarHBondContact O-N 3.49Å; Q68-T85 PolarHBondContact O-OG1 2.72Å
86	T	94.1	Very high	96.9	Very high	79 Å²	79	58.4 Å²	58.4	49%	0.485	33%	0.327	S	S	.	.	S	Bend	trans	51.8	57.4	179.1	60.5	0	0	0	0	113.2	Q16	Q16-T86 PolarHBondContact O-N 3.14Å
87	V	95.8	Very high	97	Very high	12 Å²	12	54 Å²	54	7%	0.073	30%	0.296	C	S	.	.			trans	-62.8	147.5	-178.3	-60	0	0	0	0	112.3	L12 P14 S15 Q16 L18 I84 D91	L12-V87 HydrophobicContact CB-CG2 4.32Å; L12-V87 HydrophobicContact CD1-CG2 4.45Å; P14-V87 CarbonylContact C-O 3.48Å; P14-V87 WeakPolarHBondContact CA-O 3.23Å; S15-V87 PolarHBondContact N-O 2.97Å; Q16-V87 HydrophobicContact CB-CG2 4.37Å; Q16-V87 WeakPolarHBondContact O-CG2 3.44Å; Q16-V87 PolarHBondContact O-N 2.93Å; L18-V87 HydrophobicContact CB-CG1 3.61Å; I84-V87 HydrophobicContact CB-CG1 4.16Å; I84-V87 HydrophobicContact CG2-CG1 4.17Å; I84-V87 WeakPolarHBondContact O-CG1 3.18Å; V87-D91 VanDerWaalsContact CA-OD2 3.32Å; V87-D91 WeakPolarHBondContact CA-OD2 3.43Å; V87-D91 HydrophobicContact CB-CB 4.49Å
88	D	94.5	Very high	97	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	28%	0.283	S	S	.	.			trans	-135.2	175.2	173.3	-167.8	10.1	0	0	0	110.5	V90 D91	D88-V90 HydrophobicContact CB-CG2 4.33Å; D88-V90 PolarHBondContact O-N 3.25Å; D88-V90 VanDerWaalsContact O-N 3.07Å; D88-D91 PolarHBondContact N-OD2 3.28Å; D88-D91 WeakPolarHBondContact O-CB 3.3Å; D88-D91 PolarHBondContact O-N 3.21Å
89	T	93.2	Very high	96.9	Very high	102 Å²	102	53.7 Å²	53.7	63%	0.626	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-50.1	-32.8	178.8	55.2	0	0	0	0	113.4	D91 T92	T89-D91 PolarHBondContact O-N 2.85Å; T89-T92 VanDerWaalsContact O-CB 3.29Å; T89-T92 WeakPolarHBondContact O-CB 3.23Å; T89-T92 PolarHBondContact O-N 3.19Å; T89-T92 VanDerWaalsContact O-N 3.14Å; T89-T92 PolarHBondContact O-OG1 2.95Å
90	V	92.8	Very high	96.5	Very high	95 Å²	95	59.9 Å²	59.9	58%	0.576	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19.7	176.6	-60.1	0	0	0	0	113.8	D88 T92	D88-V90 HydrophobicContact CB-CG2 4.33Å; D88-V90 PolarHBondContact O-N 3.25Å; D88-V90 VanDerWaalsContact O-N 3.07Å; V90-T92 VanDerWaalsContact C-N 3.29Å
91	D	95.8	Very high	96.4	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.059	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-86.9	0.7	177.4	-56.7	-53	0	0	0	112.9	R40 V87 D88 T89 A93 Y95	R40-D91 IonicContact CZ-OD1 2.72Å; R40-D91 IonicContact NH1-OD1 3.76Å; R40-D91 PolarHBondContact NH1-OD1 3.1Å; V87-D91 VanDerWaalsContact CA-OD2 3.32Å; V87-D91 WeakPolarHBondContact CA-OD2 3.43Å; V87-D91 HydrophobicContact CB-CB 4.49Å; D88-D91 PolarHBondContact N-OD2 3.28Å; D88-D91 WeakPolarHBondContact O-CB 3.3Å; D88-D91 PolarHBondContact O-N 3.21Å; T89-D91 PolarHBondContact O-N 2.85Å; D91-A93 PolarHBondContact O-N 2.83Å; D91-A93 VanDerWaalsContact O-N 3.11Å; D91-Y95 PolarHBondContact O-OH 2.89Å
92	T	96.4	Very high	96.3	Very high	107 Å²	107	63.4 Å²	63.4	66%	0.656	33%	0.331	S	S	*	.			trans	-70.1	105.9	174.6	-53.5	0	0	0	0	110	T89 V90	T89-T92 VanDerWaalsContact O-CB 3.29Å; T89-T92 WeakPolarHBondContact O-CB 3.23Å; T89-T92 PolarHBondContact O-N 3.19Å; T89-T92 VanDerWaalsContact O-N 3.14Å; T89-T92 PolarHBondContact O-OG1 2.95Å; V90-T92 VanDerWaalsContact C-N 3.29Å
93	A	97.4	Very high	96.1	Very high	26 Å²	26	66.9 Å²	66.9	22%	0.215	35%	0.349	C	S	.	.	S	Bend	trans	-159.4	164	-174.9	0	0	0	0	0	111.2	R40 Q41 P42 D91 Y95	R40-A93 HydrophobicContact CB-CB 3.84Å; R40-A93 HydrophobicContact CG-CB 4.3Å; Q41-A93 WeakPolarHBondContact O-CA 3.45Å; Q41-A93 WeakPolarHBondContact O-CB 3.42Å; P42-A93 HydrophobicContact CG-CB 4.29Å; D91-A93 PolarHBondContact O-N 2.83Å; D91-A93 VanDerWaalsContact O-N 3.11Å; A93-Y95 HydrophobicContact CB-CD2 4.49Å; A93-Y95 HydrophobicContact CB-CE2 3.99Å; A93-Y95 VanDerWaalsContact O-CD2 3.28Å; A93-Y95 WeakPolarHBondContact O-CD2 3.42Å; A93-Y95 WeakPolarHBondContact O-CE2 3.31Å
94	T	98	Very high	96	Very high	78 Å²	78	64.7 Å²	64.7	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.7	159.9	-49.8	0	0	0	0	108.6	R40 Q41 Y96	R40-T94 CarbonylContact C-O 3.56Å; R40-T94 VanDerWaalsContact CA-O 3.28Å; R40-T94 WeakPolarHBondContact CA-O 3.28Å; Q41-T94 PolarHBondContact N-O 3.3Å; Q41-T94 PolarHBondContact O-N 2.79Å; T94-Y96 WeakPolarHBondContact CB-OH 3.3Å; T94-Y96 HydrophobicContact CG2-CD1 4.47Å; T94-Y96 HydrophobicContact CG2-CE1 3.68Å; T94-Y96 HydrophobicContact CG2-CE2 3.83Å; T94-Y96 VanDerWaalsContact CG2-OH 3.22Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.33Å
95	Y	98.5	Very high	95.9	Very high	25 Å²	25	68.7 Å²	68.7	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138	-179.2	-69.7	-98.5	0	0	0	110.3	L18 L20 I39 R40 L50 I84 D91 A93	L18-Y95 HydrophobicContact CD2-CE1 4.4Å; L18-Y95 HydrophobicContact CD2-CE2 3.9Å; L20-Y95 HydrophobicContact CD1-CD1 3.35Å; L20-Y95 HydrophobicContact CD1-CD2 4Å; L20-Y95 HydrophobicContact CD1-CE1 3.96Å; L20-Y95 HydrophobicContact CD1-CG 3.37Å; I39-Y95 WeakPolarHBondContact O-CA 3.19Å; R40-Y95 HydrophobicContact CB-CD1 3.72Å; R40-Y95 HydrophobicContact CB-CE1 3.64Å; R40-Y95 HydrophobicContact CB-CG 4.28Å; R40-Y95 HydrophobicContact CG-CE1 4.43Å; L50-Y95 HydrophobicContact CD1-CD1 3.89Å; L50-Y95 HydrophobicContact CD1-CE1 3.62Å; I84-Y95 HydrophobicContact CD1-CE1 3.6Å; D91-Y95 PolarHBondContact O-OH 2.89Å; A93-Y95 HydrophobicContact CB-CD2 4.49Å; A93-Y95 HydrophobicContact CB-CE2 3.99Å; A93-Y95 VanDerWaalsContact O-CD2 3.28Å; A93-Y95 WeakPolarHBondContact O-CD2 3.42Å; A93-Y95 WeakPolarHBondContact O-CE2 3.31Å
96	Y	98.4	Very high	95.8	Very high	85 Å²	85	70.3 Å²	70.3	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.7	-175.1	-55.7	-77.3	0	0	0	110.8	W38 I39 Q41 L47 T94	W38-Y96 WeakPolarHBondContact CA-O 2.96Å; I39-Y96 PolarHBondContact N-O 3.38Å; I39-Y96 PolarHBondContact O-N 2.85Å; Q41-Y96 HydrophobicContact CB-CE2 3.81Å; L47-Y96 HydrophobicContact CD2-CD2 4.25Å; L47-Y96 HydrophobicContact CD2-CE2 4.35Å; T94-Y96 WeakPolarHBondContact CB-OH 3.3Å; T94-Y96 HydrophobicContact CG2-CD1 4.47Å; T94-Y96 HydrophobicContact CG2-CE1 3.68Å; T94-Y96 HydrophobicContact CG2-CE2 3.83Å; T94-Y96 VanDerWaalsContact CG2-OH 3.22Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.33Å
97	C	98.3	Very high	95.9	Very high	12 Å²	12	69.7 Å²	69.7	8%	0.081	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.3	163.5	-62.5	0	0	0	0	111.2	L4 E6 C22 V36 S37	L4-C97 HydrophobicContact CB-CB 4.02Å; L4-C97 HydrophobicContact CD1-CB 3.88Å; L4-C97 WeakPolarHBondContact CD1-O 3.43Å; L4-C97 HydrophobicContact CD2-CB 4.37Å; L4-C97 HydrophobicContact CG-CB 4.31Å; E6-C97 HydrophobicContact CG-CB 4.37Å; E6-C97 WeakPolarHBondContact OE1-CB 3.24Å; E6-C97 PolarHBondContact OE1-N 3.3Å; C22-C97 HydrophobicContact CB-CB 4.23Å; C22-C97 WeakPolarHBondContact CB-SG 3.36Å; C22-C97 WeakPolarHBondContact SG-CB 3.49Å; C22-C97 CovalentContact SG-SG 2.01Å; C22-C97 PolarHBondContact SG-SG 3.02Å; V36-C97 HydrophobicContact CG1-CB 4.4Å; S37-C97 CarbonylContact O-C 3.58Å; S37-C97 VanDerWaalsContact O-CA 3.31Å; S37-C97 WeakPolarHBondContact O-CA 3.36Å
98	A	98.1	Very high	96	Very high	33 Å²	33	74.2 Å²	74.2	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.9	167	0	0	0	0	0	110.2	V36 S37 I39	V36-A98 WeakPolarHBondContact CA-O 3.39Å; S37-A98 PolarHBondContact N-O 3.36Å; S37-A98 PolarHBondContact O-N 2.93Å; I39-A98 HydrophobicContact CD1-CB 3.9Å
99	R	96.8	Very high	96.1	Very high	124 Å²	124	73.3 Å²	73.3	47%	0.468	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.1	168.6	-171.2	-169.2	75.1	168.6	0.1	108.4	L4 F27 M34	L4-R99 HydrophobicContact CD1-CB 4.48Å; F27-R99 HydrophobicContact CD1-CG 4.2Å; F27-R99 HydrophobicContact CD2-CG 4.27Å; F27-R99 HydrophobicContact CE1-CB 4.41Å; F27-R99 HydrophobicContact CE1-CG 4.03Å; F27-R99 HydrophobicContact CE2-CG 4.12Å; F27-R99 HydrophobicContact CG-CG 4.31Å; F27-R99 HydrophobicContact CZ-CB 4.49Å; F27-R99 HydrophobicContact CZ-CG 4Å; M34-R99 HydrophobicContact CE-CG 3.58Å
100	R	89.3	Confident	96.3	Very high	181 Å²	181	70.6 Å²	70.6	68%	0.683	36%	0.356	S	S	*	.			trans	-97.3	0	169.6	-169	161.6	179.6	93.6	-1.3	110.7	M34 G35 Y54	M34-R100 VanDerWaalsContact CE-O 3.3Å; M34-R100 WeakPolarHBondContact CE-O 3.3Å; G35-R100 PolarHBondContact O-N 3.3Å; Y54-R100 HydrophobicContact CE1-CG 4.35Å; Y54-R100 VanDerWaalsContact OH-CD 3.31Å; Y54-R100 WeakPolarHBondContact OH-CD 3.42Å; Y54-R100 PolarHBondContact OH-NE 3.46Å

Retrieved 100 of 100 residues in 88.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).