A0A077ZIP3_TRITR Loading...

Putative microtubule severing protein katanin p80 subunit b

AlphaFold DB , UniProt , Accession A0A077ZIP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZIP3_TRITR|A0A077ZIP3
MRSFRATPGPVISAKLQKIYSSISAHSGRIWALKFNTTVKMHEAGIRSHSICTFSDHNGQVTSLTVSPDGRWLASGSFDGRVCLWDVEERRSFCKLLQQDAPVVQMKHADSCFKNFFSDLSCCHDPRGSKSTDIFV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	31.4	Very low	244 Å²	244	146.7 Å²	146.7	100%	1.202	79%	0.787	S	S	*	*				0	109.4	0	-77.8	168.8	167.9	0	0	108.1	S3	M1-S3 PolarHBondContact O-N 2.97Å
2	R	27.3	Very low	31.7	Very low	241 Å²	241	147 Å²	147	91%	0.909	79%	0.786	S	S	*	*			trans	-84.3	102.1	-178.8	-76.7	-176.8	176.1	-171.9	-1.1	109.3	F4	R2-F4 PolarHBondContact O-N 3.31Å
3	S	30.3	Very low	32.2	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	77%	0.766	S	S	*	*			trans	-74.3	112.9	169.3	59.6	0	0	0	0	109.4	M1 R5	M1-S3 PolarHBondContact O-N 2.97Å; S3-R5 PolarHBondContact O-N 2.87Å
4	F	27.2	Very low	32.2	Very low	195 Å²	195	137.9 Å²	137.9	86%	0.855	77%	0.765	S	S	*	*			trans	-78.4	112.1	165.5	-91.4	-96.6	0	0	0	108.4	R2 A6	R2-F4 PolarHBondContact O-N 3.31Å; F4-A6 PolarHBondContact O-N 3.49Å
5	R	25.8	Very low	32.1	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.875	76%	0.759	S	S	*	*			trans	-77.8	106.4	165	-90.7	-178.2	174.9	-169	-1.8	107.7	S3 T7	S3-R5 PolarHBondContact O-N 2.87Å; R5-T7 PolarHBondContact O-N 3.2Å
6	A	31	Very low	31.8	Very low	98 Å²	98	138.9 Å²	138.9	81%	0.81	76%	0.756	S	S	*	*			trans	-73.2	110	161.5	0	0	0	0	0	107.4	F4	F4-A6 PolarHBondContact O-N 3.49Å
7	T	28	Very low	31.6	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	75%	0.754	S	S	*	*			trans	-71.5	126.1	169.7	45.9	0	0	0	0	108.4	R5 G9	R5-T7 PolarHBondContact O-N 3.2Å; T7-G9 PolarHBondContact O-N 3.02Å; T7-G9 VanDerWaalsContact O-N 3.1Å
8	P	33.8	Very low	31.6	Very low	127 Å²	127	141.7 Å²	141.7	83%	0.825	75%	0.754	S	S	*	*			trans	-68.9	111.3	175.8	24.8	-26.3	0	0	0	108.7
9	G	30.7	Very low	31.6	Very low	31 Å²	31	140.9 Å²	140.9	32%	0.32	75%	0.749	S	S	.	*			trans	-69	154.1	166.8	0	0	0	0	0	110.2	T7 V11	T7-G9 PolarHBondContact O-N 3.02Å; T7-G9 VanDerWaalsContact O-N 3.1Å; G9-V11 PolarHBondContact O-N 2.8Å
10	P	35	Very low	32.3	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	75%	0.749	S	S	*	*			trans	-63.3	110.3	-177.2	25.4	-32.5	0	0	0	110.8	I12	P10-I12 PolarHBondContact O-N 3.46Å; P10-I12 VanDerWaalsContact O-N 3.12Å
11	V	41	Very low	33	Very low	101 Å²	101	138.3 Å²	138.3	61%	0.612	73%	0.725	S	S	*	*			trans	-74.8	98.1	170.7	179.4	0	0	0	0	107.8	G9 S13	G9-V11 PolarHBondContact O-N 2.8Å; V11-S13 VanDerWaalsContact C-N 3.29Å; V11-S13 PolarHBondContact O-N 3.22Å
12	I	35.5	Very low	33.7	Very low	150 Å²	150	130.4 Å²	130.4	77%	0.769	69%	0.694	S	S	*	*			trans	-75.2	85.5	175.2	-55.1	173.9	0	0	0	107.8	P10 A14	P10-I12 PolarHBondContact O-N 3.46Å; P10-I12 VanDerWaalsContact O-N 3.12Å; I12-A14 PolarHBondContact O-N 2.71Å
13	S	37.9	Very low	35	Very low	76 Å²	76	121.1 Å²	121.1	53%	0.531	66%	0.662	S	S	.	*			trans	-78.4	91.4	166.5	-167.7	0	0	0	0	108.4	V11 K15	V11-S13 VanDerWaalsContact C-N 3.29Å; V11-S13 PolarHBondContact O-N 3.22Å; S13-K15 PolarHBondContact O-N 2.78Å
14	A	32.6	Very low	36	Very low	91 Å²	91	119.8 Å²	119.8	75%	0.752	65%	0.652	S	S	*	*			trans	-81	104.9	178.1	0	0	0	0	0	110.1	I12	I12-A14 PolarHBondContact O-N 2.71Å
15	K	30.9	Very low	37.4	Very low	156 Å²	156	111.4 Å²	111.4	68%	0.678	62%	0.619	S	S	*	*			trans	-78.4	134.8	166.5	-140.2	-172	175.4	170.6	0	108.3	S13	S13-K15 PolarHBondContact O-N 2.78Å
16	L	27.3	Very low	38.5	Very low	135 Å²	135	108.7 Å²	108.7	71%	0.707	62%	0.616	S	S	*	*			trans	85.6	117	153.6	-64.1	155.7	0	0	0	119.5
17	Q	28	Very low	39.6	Very low	153 Å²	153	107.9 Å²	107.9	72%	0.715	61%	0.605	S	S	*	*			trans	78.2	111.7	136.4	-67.1	-155.8	-5	0	0	119.4
18	K	31.5	Very low	40.8	Very low	176 Å²	176	104.6 Å²	104.6	77%	0.765	60%	0.595	S	S	*	*	S	Bend	trans	68	93.2	151.8	-64.2	176	178.9	176.2	0	112.5
19	I	32	Very low	41.9	Very low	127 Å²	127	103.1 Å²	103.1	65%	0.651	57%	0.573	S	S	*	*	S	Bend	trans	79.6	151.2	169.6	-37.4	149.9	0	0	0	110.8
20	Y	45.3	Very low	43	Very low	192 Å²	192	104.9 Å²	104.9	75%	0.753	57%	0.574	S	S	*	*			trans	82.6	58.7	160.9	-37.8	-74.3	0	0	0	120.4	S22	Y20-S22 PolarHBondContact O-N 3.02Å
21	S	47.3	Very low	44.1	Very low	35 Å²	35	99.7 Å²	99.7	25%	0.245	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	99	154.7	64.9	0	0	0	0	110.1	L33 F35	S21-L33 PolarHBondContact O-N 3.41Å; S21-F35 WeakPolarHBondContact OG-CE2 3.28Å
22	S	49.8	Very low	44.6	Very low	77 Å²	77	96.8 Å²	96.8	54%	0.538	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.3	158.2	49.1	0	0	0	0	108.4	Y20 W31	Y20-S22 PolarHBondContact O-N 3.02Å; S22-W31 CarbonylContact C-O 3.49Å; S22-W31 VanDerWaalsContact CA-O 3.31Å; S22-W31 WeakPolarHBondContact CA-O 3.39Å
23	I	54.7	Low	45.7	Very low	47 Å²	47	90.2 Å²	90.2	24%	0.241	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.6	167.8	-55.6	170.3	0	0	0	105.7	W31 L33 L64 V66	I23-W31 HydrophobicContact CB-CB 4.08Å; I23-W31 PolarHBondContact N-O 3.37Å; I23-W31 WeakPolarHBondContact O-CA 3.21Å; I23-W31 VanDerWaalsContact O-CB 3.28Å; I23-W31 WeakPolarHBondContact O-CB 3.27Å; I23-W31 PolarHBondContact O-N 3.02Å; I23-L33 HydrophobicContact CD1-CD1 3.98Å; I23-L33 HydrophobicContact CG1-CD1 4.45Å; I23-L64 HydrophobicContact CD1-CB 4.17Å; I23-V66 HydrophobicContact CB-CG2 4.21Å; I23-V66 HydrophobicContact CD1-CG2 3.96Å; I23-V66 HydrophobicContact CG2-CB 4.28Å; I23-V66 HydrophobicContact CG2-CG2 3.67Å
24	S	52.1	Low	46.6	Very low	83 Å²	83	93.2 Å²	93.2	58%	0.58	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	176.6	-60.6	0	0	0	0	108.5
25	A	55	Low	47.5	Very low	20 Å²	20	94 Å²	94	17%	0.165	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-93.6	149.3	169	0	0	0	0	0	110.2	S27 R29 W31	A25-S27 PolarHBondContact O-N 2.95Å; A25-R29 PolarHBondContact N-O 3.4Å; A25-W31 VanDerWaalsContact CB-NE1 3.33Å
26	H	49.3	Very low	48.9	Very low	174 Å²	174	89.1 Å²	89.1	81%	0.806	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-1.1	-176	-81.9	-85.5	0	0	0	115.4
27	S	53.7	Low	50.6	Low	82 Å²	82	85.8 Å²	85.8	57%	0.573	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	15.2	-175.8	56	0	0	0	0	114.8	A25 R29	A25-S27 PolarHBondContact O-N 2.95Å; S27-R29 PolarHBondContact O-N 3.34Å
28	G	54.3	Low	52.4	Low	53 Å²	53	79.5 Å²	79.5	55%	0.546	42%	0.422	S	S	.	.	S	Bend	trans	77.3	8.9	-175.2	0	0	0	0	0	113.8
29	R	55.6	Low	54.1	Low	95 Å²	95	71.2 Å²	71.2	36%	0.358	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.2	174.8	-64.3	-178.3	174.9	168.7	3.4	109.9	A25 S27 E43	A25-R29 PolarHBondContact N-O 3.4Å; S27-R29 PolarHBondContact O-N 3.34Å; R29-E43 IonicContact NE-OE1 3.34Å
30	I	54.1	Low	55.7	Low	68 Å²	68	68.3 Å²	68.3	35%	0.349	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.3	178.6	-59.1	177.7	0	0	0	109.3	A32 H42 A44	I30-A32 PolarHBondContact O-N 3.2Å; I30-H42 CarbonylContact O-C 3.56Å; I30-A44 HydrophobicContact CB-CB 4.37Å; I30-A44 HydrophobicContact CD1-CB 3.67Å; I30-A44 HydrophobicContact CG1-CB 3.81Å
31	W	58.4	Low	56.6	Low	3 Å²	3	59.4 Å²	59.4	1%	0.011	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	100.1	177.3	-52.8	89.3	0	0	0	109.4	S22 I23 A25 M41 V66 L73 V87	S22-W31 CarbonylContact C-O 3.49Å; S22-W31 VanDerWaalsContact CA-O 3.31Å; S22-W31 WeakPolarHBondContact CA-O 3.39Å; I23-W31 HydrophobicContact CB-CB 4.08Å; I23-W31 PolarHBondContact N-O 3.37Å; I23-W31 WeakPolarHBondContact O-CA 3.21Å; I23-W31 VanDerWaalsContact O-CB 3.28Å; I23-W31 WeakPolarHBondContact O-CB 3.27Å; I23-W31 PolarHBondContact O-N 3.02Å; A25-W31 VanDerWaalsContact CB-NE1 3.33Å; W31-M41 HydrophobicContact CD2-CG 4.49Å; W31-M41 HydrophobicContact CE3-CB 4.1Å; W31-M41 HydrophobicContact CE3-CG 3.68Å; W31-M41 HydrophobicContact CE3-SD 3.84Å; W31-M41 HydrophobicContact CH2-CG 3.99Å; W31-M41 HydrophobicContact CH2-SD 3.03Å; W31-M41 WeakPolarHBondContact CH2-SD 3.45Å; W31-M41 HydrophobicContact CZ2-SD 4.03Å; W31-M41 HydrophobicContact CZ3-CB 3.95Å; W31-M41 HydrophobicContact CZ3-CE 4.48Å; W31-M41 HydrophobicContact CZ3-CG 3.44Å; W31-M41 VanDerWaalsContact CZ3-CG 3.44Å; W31-M41 HydrophobicContact CZ3-SD 2.98Å; W31-M41 WeakPolarHBondContact CZ3-SD 3.18Å; W31-V66 HydrophobicContact CG-CG2 4.41Å; W31-L73 HydrophobicContact CE3-CD2 4.35Å; W31-L73 HydrophobicContact CZ3-CD2 4.41Å; W31-V87 HydrophobicContact CH2-CB 3.68Å; W31-V87 HydrophobicContact CH2-CG1 3.27Å; W31-V87 HydrophobicContact CH2-CG2 3.09Å; W31-V87 HydrophobicContact CZ2-CB 4.28Å; W31-V87 HydrophobicContact CZ2-CG1 3.66Å; W31-V87 HydrophobicContact CZ2-CG2 3.76Å; W31-V87 HydrophobicContact CZ3-CG1 4.45Å; W31-V87 HydrophobicContact CZ3-CG2 3.73Å
32	A	52.6	Low	57.4	Low	39 Å²	39	59.7 Å²	59.7	32%	0.322	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110	176.2	0	0	0	0	0	110.4	I30 K40	I30-A32 PolarHBondContact O-N 3.2Å; A32-K40 CarbonylContact C-O 3.47Å
33	L	57	Low	57.7	Low	13 Å²	13	59.3 Å²	59.3	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.3	-173.7	-65.4	140.6	0	0	0	109.4	S21 I23 V39 L64	S21-L33 PolarHBondContact O-N 3.41Å; I23-L33 HydrophobicContact CD1-CD1 3.98Å; I23-L33 HydrophobicContact CG1-CD1 4.45Å; L33-V39 HydrophobicContact CD2-CB 3.93Å; L33-V39 HydrophobicContact CD2-CG1 3.2Å; L33-V39 HydrophobicContact CD2-CG2 4.13Å; L33-L64 HydrophobicContact CB-CD1 3.61Å; L33-L64 HydrophobicContact CD1-CB 3.87Å; L33-L64 HydrophobicContact CD1-CD1 3.53Å; L33-L64 HydrophobicContact CD1-CD2 3.85Å; L33-L64 HydrophobicContact CD1-CG 3.89Å; L33-L64 HydrophobicContact CD2-CD1 3.72Å; L33-L64 HydrophobicContact CD2-CD2 3.56Å; L33-L64 HydrophobicContact CD2-CG 4.19Å; L33-L64 HydrophobicContact CG-CD1 3.74Å; L33-L64 HydrophobicContact CG-CD2 4.24Å; L33-L64 HydrophobicContact CG-CG 4.44Å
34	K	57.1	Low	57.7	Low	139 Å²	139	59.9 Å²	59.9	60%	0.604	33%	0.333	S	S	*	.			trans	-90.5	125.2	170	-172.7	168.4	179.8	156.8	0	107.4	N36 T38	K34-N36 WeakPolarHBondContact CB-OD1 3.47Å; K34-N36 WeakPolarHBondContact CG-OD1 3.32Å; K34-N36 PolarHBondContact O-N 3.43Å; K34-N36 PolarHBondContact O-OD1 2.76Å; K34-T38 VanDerWaalsContact O-O 3.04Å
35	F	52.5	Low	58.1	Low	106 Å²	106	58 Å²	58	47%	0.465	33%	0.327	S	S	.	.	S	Bend	trans	-71.5	39.2	176.9	-79.7	-98.1	0	0	0	113.1	S21 V61	S21-F35 WeakPolarHBondContact OG-CE2 3.28Å; F35-V61 WeakPolarHBondContact CD1-O 3.49Å; F35-V61 WeakPolarHBondContact CE1-O 3.43Å
36	N	60.4	Low	58.2	Low	55 Å²	55	66 Å²	66	29%	0.294	37%	0.365	S	S	.	.	S	Bend	trans	-92.2	178	158.2	55.4	-13.3	0	0	0	108.4	K34 T38	K34-N36 WeakPolarHBondContact CB-OD1 3.47Å; K34-N36 WeakPolarHBondContact CG-OD1 3.32Å; K34-N36 PolarHBondContact O-N 3.43Å; K34-N36 PolarHBondContact O-OD1 2.76Å; N36-T38 PolarHBondContact ND2-OG1 2.82Å; N36-T38 PolarHBondContact O-N 3.4Å; N36-T38 PolarHBondContact OD1-O 3.17Å; N36-T38 PolarHBondContact OD1-OG1 2.91Å
37	T	62.2	Low	58.2	Low	64 Å²	64	67.6 Å²	67.6	39%	0.393	36%	0.364	S	S	.	.	S	Bend	trans	-56.9	5.5	170.9	48.6	0	0	0	0	113.9	S55 H57	T37-S55 WeakPolarHBondContact O-CA 3.29Å; T37-H57 WeakPolarHBondContact CB-O 3.12Å; T37-H57 WeakPolarHBondContact CG2-O 2.96Å
38	T	65.4	Low	58.4	Low	21 Å²	21	68.1 Å²	68.1	13%	0.129	37%	0.368	C	S	.	.			trans	-123.4	115.6	-175.8	75.9	0	0	0	0	111.3	K34 N36 T53 F54	K34-T38 VanDerWaalsContact O-O 3.04Å; N36-T38 PolarHBondContact ND2-OG1 2.82Å; N36-T38 PolarHBondContact O-N 3.4Å; N36-T38 PolarHBondContact OD1-O 3.17Å; N36-T38 PolarHBondContact OD1-OG1 2.91Å; T38-T53 HydrophobicContact CG2-CG2 4.38Å; T38-F54 CarbonylContact C-O 3.51Å; T38-F54 VanDerWaalsContact CA-O 3.27Å; T38-F54 WeakPolarHBondContact CA-O 3.03Å
39	V	68.1	Low	58.6	Low	2 Å²	2	70.1 Å²	70.1	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.7	167.2	167	0	0	0	0	107.1	L33 T53 F54 V61 L64 L73	L33-V39 HydrophobicContact CD2-CB 3.93Å; L33-V39 HydrophobicContact CD2-CG1 3.2Å; L33-V39 HydrophobicContact CD2-CG2 4.13Å; V39-T53 WeakPolarHBondContact O-CA 3.2Å; V39-F54 HydrophobicContact CB-CB 3.86Å; V39-F54 HydrophobicContact CG1-CB 4.23Å; V39-F54 HydrophobicContact CG1-CD2 4.06Å; V39-F54 PolarHBondContact N-O 2.88Å; V39-F54 WeakPolarHBondContact O-CB 3.47Å; V39-F54 PolarHBondContact O-N 2.98Å; V39-V61 HydrophobicContact CG2-CG1 4.45Å; V39-V61 HydrophobicContact CG2-CG2 3.97Å; V39-L64 HydrophobicContact CG1-CD2 4.36Å; V39-L64 HydrophobicContact CG2-CD2 4.15Å; V39-L73 HydrophobicContact CG1-CD2 3.68Å
40	K	65.2	Low	59	Low	66 Å²	66	68.3 Å²	68.3	29%	0.287	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.6	174.8	-69.3	-167.3	174.2	-168.8	0	110.6	A32 T53	A32-K40 CarbonylContact C-O 3.47Å; K40-T53 HydrophobicContact CG-CG2 4.04Å
41	M	64.2	Low	59.6	Low	6 Å²	6	66.3 Å²	66.3	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	171.2	175.8	176.1	56.9	0	0	108.5	W31 S50 I51 C52 V87	W31-M41 HydrophobicContact CD2-CG 4.49Å; W31-M41 HydrophobicContact CE3-CB 4.1Å; W31-M41 HydrophobicContact CE3-CG 3.68Å; W31-M41 HydrophobicContact CE3-SD 3.84Å; W31-M41 HydrophobicContact CH2-CG 3.99Å; W31-M41 HydrophobicContact CH2-SD 3.03Å; W31-M41 WeakPolarHBondContact CH2-SD 3.45Å; W31-M41 HydrophobicContact CZ2-SD 4.03Å; W31-M41 HydrophobicContact CZ3-CB 3.95Å; W31-M41 HydrophobicContact CZ3-CE 4.48Å; W31-M41 HydrophobicContact CZ3-CG 3.44Å; W31-M41 VanDerWaalsContact CZ3-CG 3.44Å; W31-M41 HydrophobicContact CZ3-SD 2.98Å; W31-M41 WeakPolarHBondContact CZ3-SD 3.18Å; M41-S50 CarbonylContact O-C 3.56Å; M41-S50 WeakPolarHBondContact O-CA 2.99Å; M41-I51 HydrophobicContact CE-CB 3.53Å; M41-I51 HydrophobicContact CE-CD1 4.12Å; M41-I51 HydrophobicContact CE-CG1 4.42Å; M41-I51 HydrophobicContact CE-CG2 3.51Å; M41-I51 HydrophobicContact CG-CB 4.19Å; M41-I51 HydrophobicContact CG-CD1 3.98Å; M41-I51 HydrophobicContact CG-CG1 4.36Å; M41-I51 PolarHBondContact O-N 3.44Å; M41-I51 HydrophobicContact SD-CB 4.4Å; M41-I51 HydrophobicContact SD-CD1 4.09Å; M41-C52 HydrophobicContact CB-CB 4.37Å; M41-C52 HydrophobicContact CE-CB 3.78Å; M41-C52 WeakPolarHBondContact CE-SG 3.3Å; M41-C52 PolarHBondContact N-O 2.88Å; M41-V87 HydrophobicContact SD-CG1 4.47Å
42	H	63.4	Low	59.9	Low	40 Å²	40	67 Å²	67	19%	0.185	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.2	178.6	-69.6	-100.8	0	0	0	109.7	I30 S48 S50	I30-H42 CarbonylContact O-C 3.56Å; H42-S48 PolarHBondContact ND1-OG 2.84Å; H42-S50 PolarHBondContact CE1-OG 3.39Å; H42-S50 VanDerWaalsContact CE1-OG 3.28Å
43	E	56.3	Low	60.5	Low	69 Å²	69	68.4 Å²	68.4	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.6	167.8	-156.4	160.4	-144.2	0	0	109.1	R29 G45 H49 I51	R29-E43 IonicContact NE-OE1 3.34Å; E43-G45 PolarHBondContact O-N 3.35Å; E43-H49 PolarHBondContact N-O 3.04Å; E43-H49 IonicContact OE2-CE1 3.51Å; E43-H49 IonicContact OE2-NE2 3.97Å; E43-I51 HydrophobicContact CB-CD1 3.57Å; E43-I51 HydrophobicContact CB-CG1 3.93Å; E43-I51 HydrophobicContact CG-CD1 4.18Å
44	A	55.9	Low	60.9	Low	59 Å²	59	68.5 Å²	68.5	49%	0.488	36%	0.364	S	S	.	.			trans	-79.2	79.1	171	0	0	0	0	0	109	I30	I30-A44 HydrophobicContact CB-CB 4.37Å; I30-A44 HydrophobicContact CD1-CB 3.67Å; I30-A44 HydrophobicContact CG1-CB 3.81Å
45	G	59.8	Low	61.5	Low	45 Å²	45	66 Å²	66	46%	0.464	36%	0.363	S	S	.	.	S	Bend	trans	-115	175.7	166.2	0	0	0	0	0	110.7	E43 R47	E43-G45 PolarHBondContact O-N 3.35Å; G45-R47 CarbonylContact O-C 3.48Å; G45-R47 PolarHBondContact O-N 3.43Å
46	I	55.7	Low	62.3	Low	186 Å²	186	64 Å²	64	95%	0.954	36%	0.358	S	S	*	.	S	Bend	trans	-52.3	-25.2	174.2	-56.7	171.4	0	0	0	111.2
47	R	49.6	Very low	62.6	Low	209 Å²	209	61.6 Å²	61.6	79%	0.789	35%	0.345	S	S	*	.	S	Bend	trans	-115.7	111	169.8	-70.2	178.4	163.8	167	-4.4	110	G45 H49	G45-R47 CarbonylContact O-C 3.48Å; G45-R47 PolarHBondContact O-N 3.43Å; R47-H49 VanDerWaalsContact C-N 3.34Å; R47-H49 PolarHBondContact O-N 3.17Å; R47-H49 PolarHBondContact O-ND1 2.73Å
48	S	58.6	Low	62.9	Low	93 Å²	93	64.7 Å²	64.7	65%	0.65	36%	0.359	S	S	*	.			trans	-64.6	95.8	165.2	-178.8	0	0	0	0	108.4	H42	H42-S48 PolarHBondContact ND1-OG 2.84Å
49	H	57.8	Low	63.1	Low	94 Å²	94	64.4 Å²	64.4	44%	0.435	36%	0.36	S	S	.	.			trans	-109.4	140.2	171.2	69.1	-75.4	0	0	0	108.5	E43 R47 I51	E43-H49 PolarHBondContact N-O 3.04Å; E43-H49 IonicContact OE2-CE1 3.51Å; E43-H49 IonicContact OE2-NE2 3.97Å; R47-H49 VanDerWaalsContact C-N 3.34Å; R47-H49 PolarHBondContact O-N 3.17Å; R47-H49 PolarHBondContact O-ND1 2.73Å; H49-I51 PolarHBondContact O-N 3.01Å
50	S	63.6	Low	63.3	Low	58 Å²	58	70.8 Å²	70.8	41%	0.406	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.1	176	-50.2	0	0	0	0	107.4	M41 H42	M41-S50 CarbonylContact O-C 3.56Å; M41-S50 WeakPolarHBondContact O-CA 2.99Å; H42-S50 PolarHBondContact CE1-OG 3.39Å; H42-S50 VanDerWaalsContact CE1-OG 3.28Å
51	I	68.2	Low	63.6	Low	26 Å²	26	67.7 Å²	67.7	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-42.8	-179.3	-46.3	175.4	0	0	0	110	M41 E43 H49 R90	M41-I51 HydrophobicContact CE-CB 3.53Å; M41-I51 HydrophobicContact CE-CD1 4.12Å; M41-I51 HydrophobicContact CE-CG1 4.42Å; M41-I51 HydrophobicContact CE-CG2 3.51Å; M41-I51 HydrophobicContact CG-CB 4.19Å; M41-I51 HydrophobicContact CG-CD1 3.98Å; M41-I51 HydrophobicContact CG-CG1 4.36Å; M41-I51 PolarHBondContact O-N 3.44Å; M41-I51 HydrophobicContact SD-CB 4.4Å; M41-I51 HydrophobicContact SD-CD1 4.09Å; E43-I51 HydrophobicContact CB-CD1 3.57Å; E43-I51 HydrophobicContact CB-CG1 3.93Å; E43-I51 HydrophobicContact CG-CD1 4.18Å; H49-I51 PolarHBondContact O-N 3.01Å; I51-R90 VanDerWaalsContact CG2-NH2 3.25Å
52	C	63.6	Low	63.9	Low	16 Å²	16	69.3 Å²	69.3	11%	0.108	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.1	177.6	-62.1	0	0	0	0	109.9	M41 F54 R90	M41-C52 HydrophobicContact CB-CB 4.37Å; M41-C52 HydrophobicContact CE-CB 3.78Å; M41-C52 WeakPolarHBondContact CE-SG 3.3Å; M41-C52 PolarHBondContact N-O 2.88Å; C52-F54 HydrophobicContact CB-CD2 4.23Å; C52-F54 HydrophobicContact CB-CE1 4.24Å; C52-F54 HydrophobicContact CB-CE2 3.74Å; C52-F54 HydrophobicContact CB-CZ 3.77Å; C52-R90 VanDerWaalsContact SG-CD 3.55Å; C52-R90 VanDerWaalsContact SG-CG 3.59Å
53	T	65.5	Low	64.2	Low	70 Å²	70	68.1 Å²	68.1	43%	0.429	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.9	166.7	-60.3	0	0	0	0	107.1	T38 V39 K40	T38-T53 HydrophobicContact CG2-CG2 4.38Å; V39-T53 WeakPolarHBondContact O-CA 3.2Å; K40-T53 HydrophobicContact CG-CG2 4.04Å
54	F	66.1	Low	64.9	Low	15 Å²	15	66.1 Å²	66.1	7%	0.066	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	102.8	-171.3	-76.9	-47.7	0	0	0	107.4	T38 V39 C52 W85	T38-F54 CarbonylContact C-O 3.51Å; T38-F54 VanDerWaalsContact CA-O 3.27Å; T38-F54 WeakPolarHBondContact CA-O 3.03Å; V39-F54 HydrophobicContact CB-CB 3.86Å; V39-F54 HydrophobicContact CG1-CB 4.23Å; V39-F54 HydrophobicContact CG1-CD2 4.06Å; V39-F54 PolarHBondContact N-O 2.88Å; V39-F54 WeakPolarHBondContact O-CB 3.47Å; V39-F54 PolarHBondContact O-N 2.98Å; C52-F54 HydrophobicContact CB-CD2 4.23Å; C52-F54 HydrophobicContact CB-CE1 4.24Å; C52-F54 HydrophobicContact CB-CE2 3.74Å; C52-F54 HydrophobicContact CB-CZ 3.77Å; F54-W85 HydrophobicContact CB-CD2 3.94Å; F54-W85 HydrophobicContact CB-CE3 3.61Å; F54-W85 HydrophobicContact CB-CH2 3.42Å; F54-W85 VanDerWaalsContact CB-CH2 3.42Å; F54-W85 HydrophobicContact CB-CZ2 3.74Å; F54-W85 HydrophobicContact CB-CZ3 3.3Å; F54-W85 AromaticContact CD1-CD2 3.93Å; F54-W85 HydrophobicContact CD1-CD2 3.93Å; F54-W85 AromaticContact CD1-CE3 3.02Å; F54-W85 HydrophobicContact CD1-CE3 3.02Å; F54-W85 HydrophobicContact CD1-CH2 4.2Å; F54-W85 AromaticContact CD1-CZ3 3.18Å; F54-W85 HydrophobicContact CD1-CZ3 3.18Å; F54-W85 HydrophobicContact CD2-CB 4.4Å; F54-W85 AromaticContact CD2-CD2 3.77Å; F54-W85 HydrophobicContact CD2-CD2 3.77Å; F54-W85 AromaticContact CD2-CE3 3.75Å; F54-W85 HydrophobicContact CD2-CE3 3.75Å; F54-W85 HydrophobicContact CD2-CG 4.06Å; F54-W85 HydrophobicContact CD2-CZ3 4.34Å; F54-W85 HydrophobicContact CE1-CD2 4.31Å; F54-W85 AromaticContact CE1-CE3 3.47Å; F54-W85 HydrophobicContact CE1-CE3 3.47Å; F54-W85 VanDerWaalsContact CE1-CE3 3.47Å; F54-W85 HydrophobicContact CE1-CZ3 4.03Å; F54-W85 HydrophobicContact CE2-CB 3.97Å; F54-W85 HydrophobicContact CE2-CD2 4.19Å; F54-W85 HydrophobicContact CE2-CE3 4.12Å; F54-W85 HydrophobicContact CE2-CG 4.14Å; F54-W85 AromaticContact CG-CD2 3.62Å; F54-W85 HydrophobicContact CG-CD2 3.62Å; F54-W85 AromaticContact CG-CE3 3.17Å; F54-W85 HydrophobicContact CG-CE3 3.17Å; F54-W85 HydrophobicContact CG-CG 4.38Å; F54-W85 AromaticContact CG-CH2 4Å; F54-W85 HydrophobicContact CG-CH2 4Å; F54-W85 HydrophobicContact CG-CZ2 4.35Å; F54-W85 AromaticContact CG-CZ3 3.36Å; F54-W85 HydrophobicContact CG-CZ3 3.36Å; F54-W85 HydrophobicContact CZ-CB 4.11Å; F54-W85 HydrophobicContact CZ-CD2 4.43Å; F54-W85 AromaticContact CZ-CE3 3.99Å; F54-W85 HydrophobicContact CZ-CE3 3.99Å
55	S	70.2	Confident	65.6	Low	85 Å²	85	64 Å²	64	59%	0.594	36%	0.355	S	S	*	.			trans	-110.5	31	-168.3	58.6	0	0	0	0	113.9	T37	T37-S55 WeakPolarHBondContact O-CA 3.29Å
56	D	68.5	Low	66	Low	65 Å²	65	62.9 Å²	62.9	35%	0.348	34%	0.339	S	S	.	.			trans	-92.1	-7.4	-170.1	-151.2	-11.8	0	0	0	113.1	W85 C94	D56-W85 HydrophobicContact CB-CH2 3.59Å; D56-W85 HydrophobicContact CB-CZ3 4.29Å; D56-C94 HydrophobicContact CB-CB 4.37Å; D56-C94 WeakPolarHBondContact CB-SG 3.27Å; D56-C94 VanDerWaalsContact OD2-CB 3.24Å; D56-C94 WeakPolarHBondContact OD2-CB 3.39Å; D56-C94 PolarHBondContact OD2-SG 3.33Å
57	H	67.7	Low	66.6	Low	4 Å²	4	54.2 Å²	54.2	2%	0.019	30%	0.295	C	S	.	.			trans	-80.4	125.5	172.3	-75.9	-63.6	0	0	0	110.4	T37 G59 V61 S75 S77 C83	T37-H57 WeakPolarHBondContact CB-O 3.12Å; T37-H57 WeakPolarHBondContact CG2-O 2.96Å; H57-G59 VanDerWaalsContact C-N 3.32Å; H57-V61 HydrophobicContact CB-CG2 3.9Å; H57-V61 WeakPolarHBondContact CD2-CG2 3.29Å; H57-S75 PolarHBondContact CE1-O 3.19Å; H57-S75 WeakPolarHBondContact NE2-CB 2.94Å; H57-S75 PolarHBondContact NE2-O 3.23Å; H57-S75 PolarHBondContact NE2-OG 3.14Å; H57-S77 WeakPolarHBondContact ND1-CB 3.13Å; H57-C83 PolarHBondContact CE1-SG 3.38Å; H57-C83 WeakPolarHBondContact NE2-CB 3.31Å
58	N	67.6	Low	67.3	Low	130 Å²	130	48.9 Å²	48.9	70%	0.695	29%	0.288	S	S	*	.	S	Bend	trans	-88.1	-10.4	177.1	-153	22.9	0	0	0	111.6	D79	N58-D79 WeakPolarHBondContact CA-OD2 3.5Å; N58-D79 WeakPolarHBondContact CB-OD2 3.35Å; N58-D79 PolarHBondContact N-OD2 3.44Å; N58-D79 VanDerWaalsContact N-OD2 3.11Å
59	G	69.3	Low	67.6	Low	15 Å²	15	49.4 Å²	49.4	16%	0.155	28%	0.284	C	S	.	.	S	Bend	trans	-117.9	179.3	174.3	0	0	0	0	0	113.5	H57 V61 S77 D79	H57-G59 VanDerWaalsContact C-N 3.32Å; G59-V61 PolarHBondContact O-N 2.94Å; G59-S77 WeakPolarHBondContact CA-OG 3.5Å; G59-D79 PolarHBondContact N-OD2 2.91Å
60	Q	71.8	Confident	68.1	Low	135 Å²	135	45.7 Å²	45.7	63%	0.631	27%	0.27	S	S	*	.			trans	-66.6	122.4	172.4	-70.6	179.8	-25.8	0	0	109.2	T62 S77 F78	Q60-T62 PolarHBondContact O-N 3.29Å; Q60-S77 CarbonylContact O-C 3.47Å; Q60-S77 WeakPolarHBondContact O-CA 3.17Å; Q60-S77 PolarHBondContact O-OG 3.03Å; Q60-F78 PolarHBondContact O-N 2.81Å
61	V	72.4	Confident	68.5	Low	2 Å²	2	46.9 Å²	46.9	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.4	169.4	-175.1	0	0	0	0	107.7	F35 V39 H57 G59 L64 G76	F35-V61 WeakPolarHBondContact CD1-O 3.49Å; F35-V61 WeakPolarHBondContact CE1-O 3.43Å; V39-V61 HydrophobicContact CG2-CG1 4.45Å; V39-V61 HydrophobicContact CG2-CG2 3.97Å; H57-V61 HydrophobicContact CB-CG2 3.9Å; H57-V61 WeakPolarHBondContact CD2-CG2 3.29Å; G59-V61 PolarHBondContact O-N 2.94Å; V61-L64 HydrophobicContact CG1-CD1 3.64Å; V61-L64 HydrophobicContact CG1-CD2 4.26Å; V61-L64 HydrophobicContact CG1-CG 3.77Å; V61-G76 CarbonylContact C-O 3.57Å; V61-G76 WeakPolarHBondContact CA-O 3.49Å; V61-G76 WeakPolarHBondContact CG1-O 3.42Å
62	T	71.4	Confident	68.8	Low	40 Å²	40	48.7 Å²	48.7	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-25	-174.7	38.7	0	0	0	0	112	Q60 G76 F78 V103	Q60-T62 PolarHBondContact O-N 3.29Å; T62-G76 PolarHBondContact N-O 2.89Å; T62-G76 PolarHBondContact OG1-O 2.78Å; T62-G76 VanDerWaalsContact OG1-O 3.09Å; T62-F78 HydrophobicContact CG2-CB 3.67Å; T62-F78 HydrophobicContact CG2-CD2 3.77Å; T62-F78 HydrophobicContact CG2-CG 4.2Å; T62-V103 WeakPolarHBondContact CB-O 3.31Å; T62-V103 PolarHBondContact OG1-O 3.01Å
63	S	67.6	Low	69.2	Low	15 Å²	15	48 Å²	48	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.5	-177.4	-164.1	0	0	0	0	111.9	S75 G76 M106	S63-S75 CarbonylContact O-C 3.55Å; S63-S75 WeakPolarHBondContact O-CA 3.4Å; S63-G76 PolarHBondContact N-O 3.33Å; S63-G76 PolarHBondContact O-N 2.85Å; S63-M106 PolarHBondContact OG-N 3.17Å
64	L	72	Confident	69.7	Low	26 Å²	26	44.7 Å²	44.7	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.2	-177.3	-78.4	136.6	0	0	0	108.6	I23 L33 V39 V61 L73 A74 S75	I23-L64 HydrophobicContact CD1-CB 4.17Å; L33-L64 HydrophobicContact CB-CD1 3.61Å; L33-L64 HydrophobicContact CD1-CB 3.87Å; L33-L64 HydrophobicContact CD1-CD1 3.53Å; L33-L64 HydrophobicContact CD1-CD2 3.85Å; L33-L64 HydrophobicContact CD1-CG 3.89Å; L33-L64 HydrophobicContact CD2-CD1 3.72Å; L33-L64 HydrophobicContact CD2-CD2 3.56Å; L33-L64 HydrophobicContact CD2-CG 4.19Å; L33-L64 HydrophobicContact CG-CD1 3.74Å; L33-L64 HydrophobicContact CG-CD2 4.24Å; L33-L64 HydrophobicContact CG-CG 4.44Å; V39-L64 HydrophobicContact CG1-CD2 4.36Å; V39-L64 HydrophobicContact CG2-CD2 4.15Å; V61-L64 HydrophobicContact CG1-CD1 3.64Å; V61-L64 HydrophobicContact CG1-CD2 4.26Å; V61-L64 HydrophobicContact CG1-CG 3.77Å; L64-L73 HydrophobicContact CD2-CD1 4.13Å; L64-L73 HydrophobicContact CD2-CD2 4.33Å; L64-L73 HydrophobicContact CD2-CG 4.32Å; L64-A74 CarbonylContact C-O 3.57Å; L64-A74 VanDerWaalsContact CA-O 3.31Å; L64-A74 WeakPolarHBondContact CA-O 3.41Å; L64-S75 VanDerWaalsContact CD2-CB 3.41Å
65	T	70.2	Confident	70.1	Confident	14 Å²	14	44 Å²	44	9%	0.086	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.7	174.7	-175.9	0	0	0	0	109.5	L73 A74 M106 V136	T65-L73 CarbonylContact O-C 3.47Å; T65-A74 HydrophobicContact CG2-CB 3.68Å; T65-A74 PolarHBondContact N-O 3.12Å; T65-A74 PolarHBondContact O-N 3.1Å; T65-M106 HydrophobicContact CG2-CB 4.01Å; T65-V136 HydrophobicContact CG2-CB 3.74Å; T65-V136 HydrophobicContact CG2-CG1 4.46Å; T65-V136 HydrophobicContact CG2-CG2 3.69Å
66	V	68.3	Low	70.3	Confident	22 Å²	22	39.9 Å²	39.9	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136	177.7	-173.6	0	0	0	0	107	I23 W31 L73	I23-V66 HydrophobicContact CB-CG2 4.21Å; I23-V66 HydrophobicContact CD1-CG2 3.96Å; I23-V66 HydrophobicContact CG2-CB 4.28Å; I23-V66 HydrophobicContact CG2-CG2 3.67Å; W31-V66 HydrophobicContact CG-CG2 4.41Å; V66-L73 HydrophobicContact CG2-CD1 3.45Å; V66-L73 VanDerWaalsContact CG2-CD1 3.45Å
67	S	68.3	Low	70.6	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.028	20%	0.198	C	C	.	.			trans	-56.4	143.8	167.6	50.4	0	0	0	0	111.2	D69 G70 R71 W72	S67-D69 WeakPolarHBondContact CB-OD1 3.38Å; S67-D69 PolarHBondContact O-N 3.25Å; S67-D69 VanDerWaalsContact O-N 3.14Å; S67-D69 PolarHBondContact OG-OD1 2.51Å; S67-G70 WeakPolarHBondContact O-CA 3.21Å; S67-G70 PolarHBondContact O-N 3.07Å; S67-R71 PolarHBondContact OG-N 3.44Å; S67-W72 WeakPolarHBondContact CB-O 3.37Å; S67-W72 PolarHBondContact N-O 2.83Å; S67-W72 WeakPolarHBondContact OG-CA 3.15Å; S67-W72 PolarHBondContact OG-N 2.87Å; S67-W72 PolarHBondContact OG-O 3.43Å
68	P	65	Low	70.8	Confident	97 Å²	97	42.4 Å²	42.4	63%	0.63	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.6	178.1	-27.2	31.4	0	0	0	113.6	G70 H108	P68-G70 VanDerWaalsContact C-N 3.29Å; P68-H108 VanDerWaalsContact CD-CE1 3.5Å; P68-H108 WeakPolarHBondContact CD-CE1 3.44Å; P68-H108 WeakPolarHBondContact CD-NE2 3.31Å; P68-H108 VanDerWaalsContact CG-CE1 3.43Å; P68-H108 WeakPolarHBondContact CG-CE1 3.02Å; P68-H108 WeakPolarHBondContact CG-NE2 2.83Å
69	D	63.7	Low	70.8	Confident	105 Å²	105	38.8 Å²	38.8	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	173.8	65.7	11.2	0	0	0	113	S67 R71	S67-D69 WeakPolarHBondContact CB-OD1 3.38Å; S67-D69 PolarHBondContact O-N 3.25Å; S67-D69 VanDerWaalsContact O-N 3.14Å; S67-D69 PolarHBondContact OG-OD1 2.51Å; D69-R71 PolarHBondContact O-N 3.04Å; D69-R71 WeakPolarHBondContact OD1-CB 3.39Å; D69-R71 PolarHBondContact OD1-N 3.2Å
70	G	69.6	Low	70.8	Confident	15 Å²	15	38.2 Å²	38.2	16%	0.155	20%	0.197	C	C	.	.	S	Bend	trans	71.5	7.9	-178.6	0	0	0	0	0	114.2	S67 P68 V87	S67-G70 WeakPolarHBondContact O-CA 3.21Å; S67-G70 PolarHBondContact O-N 3.07Å; P68-G70 VanDerWaalsContact C-N 3.29Å; G70-V87 WeakPolarHBondContact O-CB 3.37Å; G70-V87 WeakPolarHBondContact O-CG1 3.34Å; G70-V87 WeakPolarHBondContact O-CG2 3.41Å
71	R	72.3	Confident	70.9	Confident	84 Å²	84	35.5 Å²	35.5	32%	0.317	18%	0.181	S	C	.	.	S	Bend	trans	-83.2	-27.7	-178.4	179.3	170.1	-179.5	162.9	6.2	112.4	S67 D69 D86 V87 E88 E89	S67-R71 PolarHBondContact OG-N 3.44Å; D69-R71 PolarHBondContact O-N 3.04Å; D69-R71 WeakPolarHBondContact OD1-CB 3.39Å; D69-R71 PolarHBondContact OD1-N 3.2Å; R71-D86 IonicContact NE-OD2 3.7Å; R71-D86 IonicContact NH2-OD2 3.52Å; R71-V87 VanDerWaalsContact O-CB 3.27Å; R71-V87 WeakPolarHBondContact O-CB 3.31Å; R71-V87 WeakPolarHBondContact O-CG2 3.38Å; R71-V87 PolarHBondContact O-N 2.78Å; R71-E88 HydrophobicContact CB-CG 4.4Å; R71-E88 WeakPolarHBondContact CD-OE2 3.37Å; R71-E88 HydrophobicContact CG-CB 4.39Å; R71-E88 HydrophobicContact CG-CG 3.96Å; R71-E88 IonicContact CZ-OE2 3.49Å; R71-E88 IonicContact NE-OE2 2.71Å; R71-E88 PolarHBondContact NE-OE2 3.37Å; R71-E88 IonicContact NH1-OE2 2.8Å; R71-E89 IonicContact NH2-OE1 2.95Å
72	W	73.6	Confident	71.1	Confident	64 Å²	64	35.9 Å²	35.9	24%	0.242	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.7	-176.8	-57.7	94	0	0	0	111.5	S67 W85 D86 F93 F113	S67-W72 WeakPolarHBondContact CB-O 3.37Å; S67-W72 PolarHBondContact N-O 2.83Å; S67-W72 WeakPolarHBondContact OG-CA 3.15Å; S67-W72 PolarHBondContact OG-N 2.87Å; S67-W72 PolarHBondContact OG-O 3.43Å; W72-W85 CarbonylContact C-O 3.57Å; W72-W85 WeakPolarHBondContact CA-O 3.46Å; W72-D86 HydrophobicContact CE3-CB 4.04Å; W72-D86 HydrophobicContact CH2-CB 4.2Å; W72-D86 HydrophobicContact CZ3-CB 3.76Å; W72-F93 HydrophobicContact CZ3-CD2 4.44Å; W72-F113 HydrophobicContact CB-CD1 4.47Å; W72-F113 HydrophobicContact CB-CE1 3.27Å; W72-F113 HydrophobicContact CB-CE2 4.38Å; W72-F113 HydrophobicContact CB-CZ 3.21Å; W72-F113 AromaticContact CD1-CD1 3.94Å; W72-F113 AromaticContact CD1-CE1 3.33Å; W72-F113 HydrophobicContact CD2-CE1 4.07Å; W72-F113 HydrophobicContact CG-CD1 4.29Å; W72-F113 AromaticContact CG-CE1 3.26Å; W72-F113 HydrophobicContact CG-CE1 3.26Å; W72-F113 AromaticContact CG-CZ 3.79Å; W72-F113 HydrophobicContact CG-CZ 3.79Å
73	L	73.1	Confident	71.2	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	171.1	174.3	78	0	0	0	107.3	W31 V39 L64 T65 V66 L84 W85 V87	W31-L73 HydrophobicContact CE3-CD2 4.35Å; W31-L73 HydrophobicContact CZ3-CD2 4.41Å; V39-L73 HydrophobicContact CG1-CD2 3.68Å; L64-L73 HydrophobicContact CD2-CD1 4.13Å; L64-L73 HydrophobicContact CD2-CD2 4.33Å; L64-L73 HydrophobicContact CD2-CG 4.32Å; T65-L73 CarbonylContact O-C 3.47Å; V66-L73 HydrophobicContact CG2-CD1 3.45Å; V66-L73 VanDerWaalsContact CG2-CD1 3.45Å; L73-L84 CarbonylContact O-C 3.59Å; L73-L84 WeakPolarHBondContact O-CA 3.33Å; L73-W85 HydrophobicContact CB-CB 4.17Å; L73-W85 HydrophobicContact CD2-CG 4.24Å; L73-W85 PolarHBondContact N-O 3.31Å; L73-W85 VanDerWaalsContact O-CD1 3.26Å; L73-W85 PolarHBondContact O-N 2.86Å; L73-V87 HydrophobicContact CB-CG2 4.27Å
74	A	75.5	Confident	71.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.2	170	0	0	0	0	0	110.2	L64 T65 C83 L84 M106 V136	L64-A74 CarbonylContact C-O 3.57Å; L64-A74 VanDerWaalsContact CA-O 3.31Å; L64-A74 WeakPolarHBondContact CA-O 3.41Å; T65-A74 HydrophobicContact CG2-CB 3.68Å; T65-A74 PolarHBondContact N-O 3.12Å; T65-A74 PolarHBondContact O-N 3.1Å; A74-C83 CarbonylContact C-O 3.57Å; A74-C83 WeakPolarHBondContact CA-O 3.47Å; A74-L84 HydrophobicContact CB-CD2 3.31Å; A74-M106 HydrophobicContact CB-CE 4.1Å; A74-M106 HydrophobicContact CB-SD 4.3Å; A74-V136 HydrophobicContact CB-CB 4.19Å; A74-V136 HydrophobicContact CB-CG1 3.73Å; A74-V136 HydrophobicContact CB-CG2 3.8Å
75	S	74.4	Confident	71.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.2	-176.5	56.4	0	0	0	0	109.6	H57 S63 L64 V82 C83 W85	H57-S75 PolarHBondContact CE1-O 3.19Å; H57-S75 WeakPolarHBondContact NE2-CB 2.94Å; H57-S75 PolarHBondContact NE2-O 3.23Å; H57-S75 PolarHBondContact NE2-OG 3.14Å; S63-S75 CarbonylContact O-C 3.55Å; S63-S75 WeakPolarHBondContact O-CA 3.4Å; L64-S75 VanDerWaalsContact CD2-CB 3.41Å; S75-V82 CarbonylContact O-C 3.58Å; S75-V82 VanDerWaalsContact O-CA 3.31Å; S75-V82 WeakPolarHBondContact O-CA 3.38Å; S75-C83 PolarHBondContact N-O 2.71Å; S75-C83 PolarHBondContact O-N 3.31Å; S75-C83 WeakPolarHBondContact OG-CB 3.05Å; S75-C83 PolarHBondContact OG-O 2.86Å; S75-W85 PolarHBondContact OG-NE1 2.83Å
76	G	74.1	Confident	72	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.8	175	0	0	0	0	0	109.3	V61 T62 S63 M106	V61-G76 CarbonylContact C-O 3.57Å; V61-G76 WeakPolarHBondContact CA-O 3.49Å; V61-G76 WeakPolarHBondContact CG1-O 3.42Å; T62-G76 PolarHBondContact N-O 2.89Å; T62-G76 PolarHBondContact OG1-O 2.78Å; T62-G76 VanDerWaalsContact OG1-O 3.09Å; S63-G76 PolarHBondContact N-O 3.33Å; S63-G76 PolarHBondContact O-N 2.85Å; G76-M106 PolarHBondContact N-SD 3.32Å
77	S	74.2	Confident	72.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.2	176.1	159.3	0	0	0	0	111.2	H57 G59 Q60 D79 G80 R81	H57-S77 WeakPolarHBondContact ND1-CB 3.13Å; G59-S77 WeakPolarHBondContact CA-OG 3.5Å; Q60-S77 CarbonylContact O-C 3.47Å; Q60-S77 WeakPolarHBondContact O-CA 3.17Å; Q60-S77 PolarHBondContact O-OG 3.03Å; S77-D79 WeakPolarHBondContact CB-OD1 3.04Å; S77-D79 PolarHBondContact O-N 2.87Å; S77-D79 PolarHBondContact OG-N 3.2Å; S77-D79 PolarHBondContact OG-OD1 2.83Å; S77-D79 PolarHBondContact OG-OD2 2.76Å; S77-G80 PolarHBondContact O-N 3.09Å; S77-R81 PolarHBondContact N-O 2.81Å
78	F	72.7	Confident	72.3	Confident	122 Å²	122	38.6 Å²	38.6	54%	0.535	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.1	174.7	-159.8	-102.1	0	0	0	112.3	Q60 T62 G80 P102	Q60-F78 PolarHBondContact O-N 2.81Å; T62-F78 HydrophobicContact CG2-CB 3.67Å; T62-F78 HydrophobicContact CG2-CD2 3.77Å; T62-F78 HydrophobicContact CG2-CG 4.2Å; F78-G80 PolarHBondContact O-N 3.22Å; F78-P102 HydrophobicContact CD2-CB 3.41Å; F78-P102 VanDerWaalsContact CD2-CB 3.41Å; F78-P102 HydrophobicContact CD2-CG 4.37Å; F78-P102 HydrophobicContact CE2-CB 3.39Å; F78-P102 HydrophobicContact CE2-CG 3.85Å; F78-P102 HydrophobicContact CG-CB 4.02Å; F78-P102 HydrophobicContact CZ-CB 3.98Å; F78-P102 HydrophobicContact CZ-CG 4.2Å
79	D	67.1	Low	72.6	Confident	54 Å²	54	38.2 Å²	38.2	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3	172.5	69.9	-1.6	0	0	0	114	N58 G59 S77 R81	N58-D79 WeakPolarHBondContact CA-OD2 3.5Å; N58-D79 WeakPolarHBondContact CB-OD2 3.35Å; N58-D79 PolarHBondContact N-OD2 3.44Å; N58-D79 VanDerWaalsContact N-OD2 3.11Å; G59-D79 PolarHBondContact N-OD2 2.91Å; S77-D79 WeakPolarHBondContact CB-OD1 3.04Å; S77-D79 PolarHBondContact O-N 2.87Å; S77-D79 PolarHBondContact OG-N 3.2Å; S77-D79 PolarHBondContact OG-OD1 2.83Å; S77-D79 PolarHBondContact OG-OD2 2.76Å; D79-R81 VanDerWaalsContact C-N 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 WeakPolarHBondContact OD1-CB 3.35Å; D79-R81 WeakPolarHBondContact OD1-CG 3.48Å; D79-R81 PolarHBondContact OD1-N 2.7Å; D79-R81 WeakPolarHBondContact OD2-CD 3.44Å; D79-R81 IonicContact OD2-NE 3.88Å
80	G	70.1	Confident	72.9	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	82.8	-5	-177.6	0	0	0	0	0	114	S77 F78	S77-G80 PolarHBondContact O-N 3.09Å; F78-G80 PolarHBondContact O-N 3.22Å
81	R	73.9	Confident	72.9	Confident	79 Å²	79	46.7 Å²	46.7	30%	0.298	20%	0.199	S	C	.	.			trans	-74.6	137.7	176.5	-67.7	179.6	-179.6	-162.6	-1.8	111	S77 D79 L96	S77-R81 PolarHBondContact N-O 2.81Å; D79-R81 VanDerWaalsContact C-N 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 WeakPolarHBondContact OD1-CB 3.35Å; D79-R81 WeakPolarHBondContact OD1-CG 3.48Å; D79-R81 PolarHBondContact OD1-N 2.7Å; D79-R81 WeakPolarHBondContact OD2-CD 3.44Å; D79-R81 IonicContact OD2-NE 3.88Å; R81-L96 HydrophobicContact CG-CD1 3.42Å; R81-L96 VanDerWaalsContact CG-CD1 3.42Å
82	V	75.2	Confident	72.8	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	166.8	177.3	0	0	0	0	108.2	S75 K95 L97 V103 M106 I134	S75-V82 CarbonylContact O-C 3.58Å; S75-V82 VanDerWaalsContact O-CA 3.31Å; S75-V82 WeakPolarHBondContact O-CA 3.38Å; V82-K95 PolarHBondContact O-N 2.8Å; V82-L97 HydrophobicContact CB-CD1 3.88Å; V82-L97 HydrophobicContact CB-CG 4.29Å; V82-L97 HydrophobicContact CG2-CD1 3.87Å; V82-V103 HydrophobicContact CG2-CG2 4.07Å; V82-M106 HydrophobicContact CB-CE 4.38Å; V82-M106 HydrophobicContact CG1-CE 3.36Å; V82-M106 HydrophobicContact CG1-SD 4.48Å; V82-M106 HydrophobicContact CG2-CE 4.08Å; V82-I134 HydrophobicContact CG2-CD1 3.65Å
83	C	74.4	Confident	72.6	Confident	1 Å²	1	48 Å²	48	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.3	173.9	-69.6	0	0	0	0	110	H57 A74 S75 W85 C94	H57-C83 PolarHBondContact CE1-SG 3.38Å; H57-C83 WeakPolarHBondContact NE2-CB 3.31Å; A74-C83 CarbonylContact C-O 3.57Å; A74-C83 WeakPolarHBondContact CA-O 3.47Å; S75-C83 PolarHBondContact N-O 2.71Å; S75-C83 PolarHBondContact O-N 3.31Å; S75-C83 WeakPolarHBondContact OG-CB 3.05Å; S75-C83 PolarHBondContact OG-O 2.86Å; C83-W85 HydrophobicContact CB-CH2 4.1Å; C83-W85 HydrophobicContact CB-CZ2 3.42Å; C83-W85 VanDerWaalsContact CB-CZ2 3.42Å; C83-C94 HydrophobicContact CB-CB 4.11Å; C83-C94 WeakPolarHBondContact CB-SG 3.24Å; C83-C94 WeakPolarHBondContact SG-CB 3.49Å; C83-C94 CovalentContact SG-SG 2.03Å; C83-C94 PolarHBondContact SG-SG 2.76Å
84	L	75.8	Confident	72.1	Confident	44 Å²	44	50 Å²	50	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.7	167.5	-61	178	0	0	0	108.2	L73 A74 F93 F116 V136	L73-L84 CarbonylContact O-C 3.59Å; L73-L84 WeakPolarHBondContact O-CA 3.33Å; A74-L84 HydrophobicContact CB-CD2 3.31Å; L84-F93 HydrophobicContact CB-CB 4.44Å; L84-F93 PolarHBondContact N-O 2.59Å; L84-F93 CarbonylContact O-C 3.56Å; L84-F93 WeakPolarHBondContact O-CA 3.46Å; L84-F93 PolarHBondContact O-N 2.79Å; L84-F116 HydrophobicContact CD1-CD1 4.16Å; L84-V136 HydrophobicContact CD2-CG1 4.21Å
85	W	75.6	Confident	71.6	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125	178.2	-41.4	91.2	0	0	0	107.8	F54 D56 W72 L73 S75 C83 R91	F54-W85 HydrophobicContact CB-CD2 3.94Å; F54-W85 HydrophobicContact CB-CE3 3.61Å; F54-W85 HydrophobicContact CB-CH2 3.42Å; F54-W85 VanDerWaalsContact CB-CH2 3.42Å; F54-W85 HydrophobicContact CB-CZ2 3.74Å; F54-W85 HydrophobicContact CB-CZ3 3.3Å; F54-W85 AromaticContact CD1-CD2 3.93Å; F54-W85 HydrophobicContact CD1-CD2 3.93Å; F54-W85 AromaticContact CD1-CE3 3.02Å; F54-W85 HydrophobicContact CD1-CE3 3.02Å; F54-W85 HydrophobicContact CD1-CH2 4.2Å; F54-W85 AromaticContact CD1-CZ3 3.18Å; F54-W85 HydrophobicContact CD1-CZ3 3.18Å; F54-W85 HydrophobicContact CD2-CB 4.4Å; F54-W85 AromaticContact CD2-CD2 3.77Å; F54-W85 HydrophobicContact CD2-CD2 3.77Å; F54-W85 AromaticContact CD2-CE3 3.75Å; F54-W85 HydrophobicContact CD2-CE3 3.75Å; F54-W85 HydrophobicContact CD2-CG 4.06Å; F54-W85 HydrophobicContact CD2-CZ3 4.34Å; F54-W85 HydrophobicContact CE1-CD2 4.31Å; F54-W85 AromaticContact CE1-CE3 3.47Å; F54-W85 HydrophobicContact CE1-CE3 3.47Å; F54-W85 VanDerWaalsContact CE1-CE3 3.47Å; F54-W85 HydrophobicContact CE1-CZ3 4.03Å; F54-W85 HydrophobicContact CE2-CB 3.97Å; F54-W85 HydrophobicContact CE2-CD2 4.19Å; F54-W85 HydrophobicContact CE2-CE3 4.12Å; F54-W85 HydrophobicContact CE2-CG 4.14Å; F54-W85 AromaticContact CG-CD2 3.62Å; F54-W85 HydrophobicContact CG-CD2 3.62Å; F54-W85 AromaticContact CG-CE3 3.17Å; F54-W85 HydrophobicContact CG-CE3 3.17Å; F54-W85 HydrophobicContact CG-CG 4.38Å; F54-W85 AromaticContact CG-CH2 4Å; F54-W85 HydrophobicContact CG-CH2 4Å; F54-W85 HydrophobicContact CG-CZ2 4.35Å; F54-W85 AromaticContact CG-CZ3 3.36Å; F54-W85 HydrophobicContact CG-CZ3 3.36Å; F54-W85 HydrophobicContact CZ-CB 4.11Å; F54-W85 HydrophobicContact CZ-CD2 4.43Å; F54-W85 AromaticContact CZ-CE3 3.99Å; F54-W85 HydrophobicContact CZ-CE3 3.99Å; D56-W85 HydrophobicContact CB-CH2 3.59Å; D56-W85 HydrophobicContact CB-CZ3 4.29Å; W72-W85 CarbonylContact C-O 3.57Å; W72-W85 WeakPolarHBondContact CA-O 3.46Å; L73-W85 HydrophobicContact CB-CB 4.17Å; L73-W85 HydrophobicContact CD2-CG 4.24Å; L73-W85 PolarHBondContact N-O 3.31Å; L73-W85 VanDerWaalsContact O-CD1 3.26Å; L73-W85 PolarHBondContact O-N 2.86Å; S75-W85 PolarHBondContact OG-NE1 2.83Å; C83-W85 HydrophobicContact CB-CH2 4.1Å; C83-W85 HydrophobicContact CB-CZ2 3.42Å; C83-W85 VanDerWaalsContact CB-CZ2 3.42Å; W85-R91 CarbonylContact C-O 3.5Å; W85-R91 WeakPolarHBondContact CA-O 3.39Å
86	D	75.3	Confident	71	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.011	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.1	164.5	-168.7	-40.5	0	0	0	107.7	R71 W72 E88 E89 R90 R91	R71-D86 IonicContact NE-OD2 3.7Å; R71-D86 IonicContact NH2-OD2 3.52Å; W72-D86 HydrophobicContact CE3-CB 4.04Å; W72-D86 HydrophobicContact CH2-CB 4.2Å; W72-D86 HydrophobicContact CZ3-CB 3.76Å; D86-E88 WeakPolarHBondContact OD1-CA 3.35Å; D86-E88 PolarHBondContact OD1-N 3.47Å; D86-E89 HydrophobicContact CB-CB 4.2Å; D86-E89 PolarHBondContact OD1-N 3.35Å; D86-R90 CarbonylContact O-C 3.59Å; D86-R90 WeakPolarHBondContact O-CA 3.28Å; D86-R90 PolarHBondContact O-N 2.81Å; D86-R91 HydrophobicContact CB-CB 4.37Å; D86-R91 PolarHBondContact N-O 3.11Å; D86-R91 PolarHBondContact O-N 2.76Å
87	V	70.9	Confident	70.3	Confident	6 Å²	6	63.7 Å²	63.7	4%	0.036	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-41.6	179.5	164.3	0	0	0	0	111.6	W31 M41 G70 R71 L73	W31-V87 HydrophobicContact CH2-CB 3.68Å; W31-V87 HydrophobicContact CH2-CG1 3.27Å; W31-V87 HydrophobicContact CH2-CG2 3.09Å; W31-V87 HydrophobicContact CZ2-CB 4.28Å; W31-V87 HydrophobicContact CZ2-CG1 3.66Å; W31-V87 HydrophobicContact CZ2-CG2 3.76Å; W31-V87 HydrophobicContact CZ3-CG1 4.45Å; W31-V87 HydrophobicContact CZ3-CG2 3.73Å; M41-V87 HydrophobicContact SD-CG1 4.47Å; G70-V87 WeakPolarHBondContact O-CB 3.37Å; G70-V87 WeakPolarHBondContact O-CG1 3.34Å; G70-V87 WeakPolarHBondContact O-CG2 3.41Å; R71-V87 VanDerWaalsContact O-CB 3.27Å; R71-V87 WeakPolarHBondContact O-CB 3.31Å; R71-V87 WeakPolarHBondContact O-CG2 3.38Å; R71-V87 PolarHBondContact O-N 2.78Å; L73-V87 HydrophobicContact CB-CG2 4.27Å
88	E	71.4	Confident	69.2	Low	124 Å²	124	71.8 Å²	71.8	58%	0.579	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-47.2	-176.1	-71.5	-169.9	153.8	0	0	109.9	R71 D86 R90	R71-E88 HydrophobicContact CB-CG 4.4Å; R71-E88 WeakPolarHBondContact CD-OE2 3.37Å; R71-E88 HydrophobicContact CG-CB 4.39Å; R71-E88 HydrophobicContact CG-CG 3.96Å; R71-E88 IonicContact CZ-OE2 3.49Å; R71-E88 IonicContact NE-OE2 2.71Å; R71-E88 PolarHBondContact NE-OE2 3.37Å; R71-E88 IonicContact NH1-OE2 2.8Å; D86-E88 WeakPolarHBondContact OD1-CA 3.35Å; D86-E88 PolarHBondContact OD1-N 3.47Å; E88-R90 VanDerWaalsContact C-N 3.29Å; E88-R90 PolarHBondContact O-N 3.42Å
89	E	72	Confident	68.4	Low	90 Å²	90	69.2 Å²	69.2	42%	0.421	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.9	179.4	-62.4	-167.3	-175.6	0	0	113	R71 D86 R91	R71-E89 IonicContact NH2-OE1 2.95Å; D86-E89 HydrophobicContact CB-CB 4.2Å; D86-E89 PolarHBondContact OD1-N 3.35Å; E89-R91 HydrophobicContact CB-CB 4.26Å; E89-R91 HydrophobicContact CB-CG 4Å; E89-R91 PolarHBondContact O-N 2.99Å; E89-R91 WeakPolarHBondContact OE2-CD 3.48Å; E89-R91 IonicContact OE2-CZ 2.78Å; E89-R91 IonicContact OE2-NE 3.7Å; E89-R91 IonicContact OE2-NH1 3.7Å; E89-R91 PolarHBondContact OE2-NH1 3.49Å
90	R	69.9	Low	67.8	Low	155 Å²	155	74.4 Å²	74.4	59%	0.585	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.3	-172.1	-58.1	179.6	175.3	174.1	1.1	112.2	I51 C52 D86 E88	I51-R90 VanDerWaalsContact CG2-NH2 3.25Å; C52-R90 VanDerWaalsContact SG-CD 3.55Å; C52-R90 VanDerWaalsContact SG-CG 3.59Å; D86-R90 CarbonylContact O-C 3.59Å; D86-R90 WeakPolarHBondContact O-CA 3.28Å; D86-R90 PolarHBondContact O-N 2.81Å; E88-R90 VanDerWaalsContact C-N 3.29Å; E88-R90 PolarHBondContact O-N 3.42Å
91	R	69.3	Low	67.3	Low	142 Å²	142	75.7 Å²	75.7	54%	0.536	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.3	-178	-77.3	-176.4	174.8	164.2	-9.5	110.8	W85 D86 E89 F93	W85-R91 CarbonylContact C-O 3.5Å; W85-R91 WeakPolarHBondContact CA-O 3.39Å; D86-R91 HydrophobicContact CB-CB 4.37Å; D86-R91 PolarHBondContact N-O 3.11Å; D86-R91 PolarHBondContact O-N 2.76Å; E89-R91 HydrophobicContact CB-CB 4.26Å; E89-R91 HydrophobicContact CB-CG 4Å; E89-R91 PolarHBondContact O-N 2.99Å; E89-R91 WeakPolarHBondContact OE2-CD 3.48Å; E89-R91 IonicContact OE2-CZ 2.78Å; E89-R91 IonicContact OE2-NE 3.7Å; E89-R91 IonicContact OE2-NH1 3.7Å; E89-R91 PolarHBondContact OE2-NH1 3.49Å; R91-F93 HydrophobicContact CB-CE2 4.01Å
92	S	70.9	Confident	66.5	Low	61 Å²	61	73.8 Å²	73.8	43%	0.427	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.8	174	54.5	0	0	0	0	110.4
93	F	68.6	Low	65.9	Low	115 Å²	115	73.4 Å²	73.4	50%	0.504	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	89.6	168.7	-70.9	-79.2	0	0	0	108.5	W72 L84 R91	W72-F93 HydrophobicContact CZ3-CD2 4.44Å; L84-F93 HydrophobicContact CB-CB 4.44Å; L84-F93 PolarHBondContact N-O 2.59Å; L84-F93 CarbonylContact O-C 3.56Å; L84-F93 WeakPolarHBondContact O-CA 3.46Å; L84-F93 PolarHBondContact O-N 2.79Å; R91-F93 HydrophobicContact CB-CE2 4.01Å
94	C	63.6	Low	65.1	Low	43 Å²	43	76.8 Å²	76.8	29%	0.291	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.3	171.7	-72.3	0	0	0	0	110.1	D56 C83	D56-C94 HydrophobicContact CB-CB 4.37Å; D56-C94 WeakPolarHBondContact CB-SG 3.27Å; D56-C94 VanDerWaalsContact OD2-CB 3.24Å; D56-C94 WeakPolarHBondContact OD2-CB 3.39Å; D56-C94 PolarHBondContact OD2-SG 3.33Å; C83-C94 HydrophobicContact CB-CB 4.11Å; C83-C94 WeakPolarHBondContact CB-SG 3.24Å; C83-C94 WeakPolarHBondContact SG-CB 3.49Å; C83-C94 CovalentContact SG-SG 2.03Å; C83-C94 PolarHBondContact SG-SG 2.76Å
95	K	63.9	Low	64.1	Low	150 Å²	150	76.5 Å²	76.5	65%	0.652	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	170.8	-165.9	170.8	-176.5	178.8	0	107.5	V82 L97	V82-K95 PolarHBondContact O-N 2.8Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3Å
96	L	62.2	Low	63.5	Low	109 Å²	109	76.8 Å²	76.8	57%	0.571	38%	0.376	S	S	*	.			trans	-64.7	97.7	167.1	-177.4	71.2	0	0	0	106.8	R81 Q98	R81-L96 HydrophobicContact CG-CD1 3.42Å; R81-L96 VanDerWaalsContact CG-CD1 3.42Å; L96-Q98 PolarHBondContact O-N 2.03Å
97	L	59.2	Low	62.5	Low	28 Å²	28	80.1 Å²	80.1	15%	0.147	39%	0.39	C	S	.	.			trans	-73.4	116.5	159	-61.8	-177.3	0	0	0	104.2	V82 K95 Q99 L120	V82-L97 HydrophobicContact CB-CD1 3.88Å; V82-L97 HydrophobicContact CB-CG 4.29Å; V82-L97 HydrophobicContact CG2-CD1 3.87Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3Å; L97-Q99 HydrophobicContact CB-CG 3.92Å; L97-Q99 PolarHBondContact O-N 2.87Å; L97-L120 HydrophobicContact CD1-CD1 4.36Å; L97-L120 HydrophobicContact CD1-CD2 3.94Å; L97-L120 HydrophobicContact CD2-CD1 4.04Å
98	Q	52	Low	61.5	Low	171 Å²	171	81.3 Å²	81.3	80%	0.799	40%	0.395	S	S	*	.			trans	-70.9	72.5	175.9	-169.6	162.4	11.2	0	0	108.3	L96	L96-Q98 PolarHBondContact O-N 2.03Å
99	Q	55.5	Low	60.5	Low	67 Å²	67	76.2 Å²	76.2	31%	0.313	37%	0.374	S	S	.	.			trans	-91.9	112.8	173.8	-64.5	-67.5	-38.4	0	0	106.4	L97 A101	L97-Q99 HydrophobicContact CB-CG 3.92Å; L97-Q99 PolarHBondContact O-N 2.87Å; Q99-A101 PolarHBondContact O-N 3.47Å
100	D	55	Low	59.2	Low	164 Å²	164	78.4 Å²	78.4	88%	0.877	39%	0.389	S	S	*	.	S	Bend	trans	-72.4	11.4	173.9	-68	-35.3	0	0	0	112.6
101	A	58.7	Low	57.9	Low	28 Å²	28	75.9 Å²	75.9	23%	0.231	40%	0.395	C	S	.	.	S	Bend	trans	-134.4	143.4	179.9	0	0	0	0	0	110.3	Q99 V103	Q99-A101 PolarHBondContact O-N 3.47Å; A101-V103 PolarHBondContact O-N 2.9Å
102	P	57.5	Low	56.6	Low	40 Å²	40	71.3 Å²	71.3	26%	0.26	38%	0.384	S	S	.	.			trans	-61.8	133.4	176.9	26.1	-33.4	0	0	0	110	F78 V104	F78-P102 HydrophobicContact CD2-CB 3.41Å; F78-P102 VanDerWaalsContact CD2-CB 3.41Å; F78-P102 HydrophobicContact CD2-CG 4.37Å; F78-P102 HydrophobicContact CE2-CB 3.39Å; F78-P102 HydrophobicContact CE2-CG 3.85Å; F78-P102 HydrophobicContact CG-CB 4.02Å; F78-P102 HydrophobicContact CZ-CB 3.98Å; F78-P102 HydrophobicContact CZ-CG 4.2Å; P102-V104 HydrophobicContact CG-CG2 4.39Å; P102-V104 PolarHBondContact O-N 2.77Å; P102-V104 VanDerWaalsContact O-N 3.07Å
103	V	61.4	Low	55.2	Low	1 Å²	1	70.2 Å²	70.2	1%	0.006	37%	0.372	C	S	.	.			trans	-72.2	103.3	172.5	-178.5	0	0	0	0	107.1	T62 V82 A101 M106 I134	T62-V103 WeakPolarHBondContact CB-O 3.31Å; T62-V103 PolarHBondContact OG1-O 3.01Å; V82-V103 HydrophobicContact CG2-CG2 4.07Å; A101-V103 PolarHBondContact O-N 2.9Å; V103-M106 HydrophobicContact CG1-CG 3.89Å; V103-I134 HydrophobicContact CB-CD1 4.31Å; V103-I134 HydrophobicContact CG1-CD1 3.71Å; V103-I134 HydrophobicContact CG1-CG1 4.19Å; V103-I134 HydrophobicContact CG2-CD1 3.6Å
104	V	58.5	Low	53.6	Low	71 Å²	71	74.1 Å²	74.1	43%	0.43	39%	0.389	S	S	.	.			trans	-88	-30.7	-176	177.6	0	0	0	0	111	P102 S131	P102-V104 HydrophobicContact CG-CG2 4.39Å; P102-V104 PolarHBondContact O-N 2.77Å; P102-V104 VanDerWaalsContact O-N 3.07Å; V104-S131 WeakPolarHBondContact CB-OG 3.43Å
105	Q	55.5	Low	52.3	Low	39 Å²	39	76.5 Å²	76.5	18%	0.182	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	130.3	-178.1	-163.9	167.7	3.9	0	0	111.6	K107 I134	Q105-K107 HydrophobicContact CG-CG 4.38Å; Q105-I134 PolarHBondContact O-N 2.88Å
106	M	61.2	Low	51.1	Low	6 Å²	6	71 Å²	71	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133	166.1	-57.1	-175.2	97.2	0	0	108.1	S63 T65 A74 G76 V82 V103 I134 V136	S63-M106 PolarHBondContact OG-N 3.17Å; T65-M106 HydrophobicContact CG2-CB 4.01Å; A74-M106 HydrophobicContact CB-CE 4.1Å; A74-M106 HydrophobicContact CB-SD 4.3Å; G76-M106 PolarHBondContact N-SD 3.32Å; V82-M106 HydrophobicContact CB-CE 4.38Å; V82-M106 HydrophobicContact CG1-CE 3.36Å; V82-M106 HydrophobicContact CG1-SD 4.48Å; V82-M106 HydrophobicContact CG2-CE 4.08Å; V103-M106 HydrophobicContact CG1-CG 3.89Å; M106-I134 CarbonylContact C-O 3.56Å; M106-I134 VanDerWaalsContact CA-O 3.29Å; M106-I134 WeakPolarHBondContact CA-O 3.37Å; M106-I134 HydrophobicContact CE-CB 4.22Å; M106-I134 HydrophobicContact CE-CG2 3.85Å; M106-I134 HydrophobicContact CG-CB 4.36Å; M106-V136 HydrophobicContact CB-CG2 4.43Å; M106-V136 HydrophobicContact CE-CG2 3.32Å; M106-V136 HydrophobicContact SD-CG2 4.36Å
107	K	55.2	Low	49.8	Very low	73 Å²	73	75.7 Å²	75.7	32%	0.317	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.7	176.2	-68.3	175.2	-176.7	162.5	0	108.4	Q105 D133 I134 F135 V136	Q105-K107 HydrophobicContact CG-CG 4.38Å; K107-D133 WeakPolarHBondContact CE-OD1 2.98Å; K107-D133 VanDerWaalsContact NZ-CG 3.31Å; K107-D133 IonicContact NZ-OD1 3.78Å; K107-D133 PolarHBondContact NZ-OD1 2.78Å; K107-D133 IonicContact NZ-OD2 3.61Å; K107-D133 PolarHBondContact NZ-OD2 2.95Å; K107-I134 PolarHBondContact N-O 3.33Å; K107-F135 HydrophobicContact CB-CD1 4.4Å; K107-F135 HydrophobicContact CB-CE1 4.31Å; K107-F135 CarbonylContact O-C 3.35Å; K107-F135 VanDerWaalsContact O-CA 3.28Å; K107-F135 WeakPolarHBondContact O-CA 3.39Å; K107-V136 PolarHBondContact O-N 3.26Å
108	H	49	Very low	48.7	Very low	31 Å²	31	78.3 Å²	78.3	14%	0.144	41%	0.411	C	S	.	.			trans	-72.2	131.7	173.2	-169.6	-95	0	0	0	109.4	P68 D110 F113 V136	P68-H108 VanDerWaalsContact CD-CE1 3.5Å; P68-H108 WeakPolarHBondContact CD-CE1 3.44Å; P68-H108 WeakPolarHBondContact CD-NE2 3.31Å; P68-H108 VanDerWaalsContact CG-CE1 3.43Å; P68-H108 WeakPolarHBondContact CG-CE1 3.02Å; P68-H108 WeakPolarHBondContact CG-NE2 2.83Å; H108-D110 IonicContact CE1-OD1 3.33Å; H108-D110 IonicContact ND1-OD1 3.62Å; H108-D110 PolarHBondContact ND1-OD1 2.9Å; H108-F113 AromaticContact NE2-CD2 3.88Å; H108-V136 CarbonylContact C-O 3.53Å; H108-V136 VanDerWaalsContact CA-O 3.29Å; H108-V136 WeakPolarHBondContact CA-O 3.27Å; H108-V136 PolarHBondContact CD2-O 2.93Å
109	A	50.7	Low	47.9	Very low	16 Å²	16	75.7 Å²	75.7	13%	0.132	40%	0.403	C	S	.	.			trans	-97.8	111	164.3	0	0	0	0	0	108.9	S111 C112 F135 V136	A109-S111 PolarHBondContact O-N 2.87Å; A109-C112 HydrophobicContact CB-CB 4.02Å; A109-C112 PolarHBondContact O-N 3.33Å; A109-C112 VanDerWaalsContact O-N 3.17Å; A109-F135 HydrophobicContact CB-CB 3.86Å; A109-F135 HydrophobicContact CB-CD1 4.1Å; A109-F135 HydrophobicContact CB-CG 4.41Å; A109-V136 PolarHBondContact N-O 2.75Å
110	D	44.4	Very low	47.2	Very low	136 Å²	136	76.9 Å²	76.9	73%	0.727	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-1.7	-173.5	-66.7	-29.1	0	0	0	115.8	H108	H108-D110 IonicContact CE1-OD1 3.33Å; H108-D110 IonicContact ND1-OD1 3.62Å; H108-D110 PolarHBondContact ND1-OD1 2.9Å
111	S	43	Very low	46.5	Very low	102 Å²	102	73.2 Å²	73.2	71%	0.713	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-5	-179.1	59.9	0	0	0	0	116	A109	A109-S111 PolarHBondContact O-N 2.87Å
112	C	42.2	Very low	45.6	Very low	46 Å²	46	76 Å²	76	31%	0.311	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-5.5	-164.9	-65.5	0	0	0	0	116	A109 K114 N115 F116	A109-C112 HydrophobicContact CB-CB 4.02Å; A109-C112 PolarHBondContact O-N 3.33Å; A109-C112 VanDerWaalsContact O-N 3.17Å; C112-K114 PolarHBondContact O-N 2.77Å; C112-N115 CarbonylContact O-C 3.49Å; C112-N115 WeakPolarHBondContact O-CA 3.03Å; C112-N115 PolarHBondContact O-N 2.94Å; C112-F116 PolarHBondContact O-N 3.06Å; C112-F116 VanDerWaalsContact O-N 3.17Å
113	F	41.8	Very low	44.6	Very low	39 Å²	39	77 Å²	77	17%	0.171	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.9	-174.7	-145	-78.6	0	0	0	114	W72 H108 V136	W72-F113 HydrophobicContact CB-CD1 4.47Å; W72-F113 HydrophobicContact CB-CE1 3.27Å; W72-F113 HydrophobicContact CB-CE2 4.38Å; W72-F113 HydrophobicContact CB-CZ 3.21Å; W72-F113 AromaticContact CD1-CD1 3.94Å; W72-F113 AromaticContact CD1-CE1 3.33Å; W72-F113 HydrophobicContact CD2-CE1 4.07Å; W72-F113 HydrophobicContact CG-CD1 4.29Å; W72-F113 AromaticContact CG-CE1 3.26Å; W72-F113 HydrophobicContact CG-CE1 3.26Å; W72-F113 AromaticContact CG-CZ 3.79Å; W72-F113 HydrophobicContact CG-CZ 3.79Å; H108-F113 AromaticContact NE2-CD2 3.88Å; F113-V136 HydrophobicContact CD2-CG1 4.13Å; F113-V136 VanDerWaalsContact CD2-OXT 3.3Å; F113-V136 WeakPolarHBondContact CD2-OXT 3.44Å; F113-V136 HydrophobicContact CE2-CB 4.34Å; F113-V136 HydrophobicContact CE2-CG1 3.44Å; F113-V136 VanDerWaalsContact CE2-CG1 3.44Å; F113-V136 HydrophobicContact CZ-CG1 3.99Å
114	K	35.3	Very low	43.3	Very low	197 Å²	197	84.9 Å²	84.9	86%	0.857	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.9	174.6	-71.7	-174.5	177.4	-176.9	0	114.4	C112	C112-K114 PolarHBondContact O-N 2.77Å
115	N	35.7	Very low	42.2	Very low	92 Å²	92	83.4 Å²	83.4	49%	0.492	45%	0.448	S	S	.	.	S	Bend	trans	-97	13.1	177.6	-70.7	-10.6	0	0	0	112.2	C112 F117 S118 D119	C112-N115 CarbonylContact O-C 3.49Å; C112-N115 WeakPolarHBondContact O-CA 3.03Å; C112-N115 PolarHBondContact O-N 2.94Å; N115-F117 PolarHBondContact O-N 3.2Å; N115-S118 PolarHBondContact O-N 2.81Å; N115-S118 PolarHBondContact O-OG 2.78Å; N115-D119 PolarHBondContact O-N 3.34Å
116	F	38.9	Very low	41.3	Very low	36 Å²	36	87.7 Å²	87.7	16%	0.158	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.2	-178.7	-128	-98.4	0	0	0	114.9	L84 C112 F135 V136	L84-F116 HydrophobicContact CD1-CD1 4.16Å; C112-F116 PolarHBondContact O-N 3.06Å; C112-F116 VanDerWaalsContact O-N 3.17Å; F116-F135 WeakPolarHBondContact CE2-O 3.39Å; F116-F135 WeakPolarHBondContact CZ-O 3.38Å; F116-V136 HydrophobicContact CD1-CG1 4.4Å; F116-V136 HydrophobicContact CD2-CG1 4.3Å; F116-V136 WeakPolarHBondContact CD2-OXT 3.47Å; F116-V136 HydrophobicContact CE1-CG1 3.88Å; F116-V136 HydrophobicContact CE2-CB 4.13Å; F116-V136 HydrophobicContact CE2-CG1 3.87Å; F116-V136 WeakPolarHBondContact CE2-OXT 3.35Å; F116-V136 HydrophobicContact CZ-CB 3.89Å; F116-V136 HydrophobicContact CZ-CG1 3.62Å; F116-V136 HydrophobicContact CZ-CG2 4.05Å
117	F	35.6	Very low	40	Very low	207 Å²	207	97.1 Å²	97.1	91%	0.908	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.4	172.4	-75.2	-84.9	0	0	0	113.8	N115	N115-F117 PolarHBondContact O-N 3.2Å
118	S	35.2	Very low	38.8	Very low	82 Å²	82	97.2 Å²	97.2	57%	0.573	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-28.4	-167.1	51	0	0	0	0	116.7	N115	N115-S118 PolarHBondContact O-N 2.81Å; N115-S118 PolarHBondContact O-OG 2.78Å
119	D	34.9	Very low	38.2	Very low	116 Å²	116	99.3 Å²	99.3	62%	0.62	55%	0.554	S	S	*	*			trans	-133.1	77.2	-171.9	-94.9	-40.6	0	0	0	112.9	N115 S121	N115-D119 PolarHBondContact O-N 3.34Å; D119-S121 PolarHBondContact O-N 3.44Å
120	L	40.8	Very low	37.5	Very low	92 Å²	92	107.9 Å²	107.9	48%	0.482	59%	0.588	S	S	.	*			trans	-77.8	72.6	159.3	-90.1	144.4	0	0	0	108.4	L97 C122 I134	L97-L120 HydrophobicContact CD1-CD1 4.36Å; L97-L120 HydrophobicContact CD1-CD2 3.94Å; L97-L120 HydrophobicContact CD2-CD1 4.04Å; L120-C122 PolarHBondContact O-N 2.87Å; L120-I134 HydrophobicContact CD2-CG2 4.41Å
121	S	40.5	Very low	37.4	Very low	87 Å²	87	102.5 Å²	102.5	61%	0.608	56%	0.562	S	S	*	*			trans	-79	106.2	170.3	173.1	0	0	0	0	108.6	D119 C123	D119-S121 PolarHBondContact O-N 3.44Å; S121-C123 PolarHBondContact O-N 2.75Å
122	C	40.4	Very low	37.5	Very low	86 Å²	86	98.8 Å²	98.8	58%	0.581	54%	0.535	S	S	*	.			trans	-73.2	116.4	167.7	54.6	0	0	0	0	108.6	L120	L120-C122 PolarHBondContact O-N 2.87Å
123	C	37.5	Very low	37.5	Very low	61 Å²	61	97.4 Å²	97.4	41%	0.412	52%	0.524	S	S	.	.	B	Isolated β-bridge	trans	-85.3	115.4	162.5	77.5	0	0	0	0	108.1	S121 D125 F135	S121-C123 PolarHBondContact O-N 2.75Å; C123-D125 PolarHBondContact O-N 2.88Å; C123-F135 HydrophobicContact CB-CE2 4.36Å; C123-F135 WeakPolarHBondContact SG-CE2 3.45Å; C123-F135 VanDerWaalsContact SG-CZ 3.52Å
124	H	33.1	Very low	37.7	Very low	168 Å²	168	96 Å²	96	78%	0.778	52%	0.518	S	S	*	.			trans	-70.1	124.9	170.8	-123.6	62.7	0	0	0	108.5	P126	H124-P126 VanDerWaalsContact O-CD 3.27Å; H124-P126 WeakPolarHBondContact O-CD 3.5Å
125	D	34.5	Very low	38.1	Very low	40 Å²	40	90.1 Å²	90.1	21%	0.214	49%	0.493	C	S	.	.			trans	-69.2	118.3	168.5	-171.9	-27.2	0	0	0	108	C123 R127	C123-D125 PolarHBondContact O-N 2.88Å; D125-R127 PolarHBondContact O-N 3.01Å; D125-R127 WeakPolarHBondContact OD1-CB 3.43Å; D125-R127 WeakPolarHBondContact OD1-CG 3.18Å; D125-R127 IonicContact OD1-CZ 3.87Å; D125-R127 PolarHBondContact OD1-N 2.93Å; D125-R127 IonicContact OD1-NE 2.97Å; D125-R127 PolarHBondContact OD1-NE 2.79Å; D125-R127 IonicContact OD1-NH2 3.44Å; D125-R127 IonicContact OD2-CZ 3.79Å; D125-R127 IonicContact OD2-NE 3.31Å; D125-R127 PolarHBondContact OD2-NE 2.78Å; D125-R127 IonicContact OD2-NH2 3.71Å; D125-R127 PolarHBondContact OD2-NH2 3.5Å
126	P	36.5	Very low	38.4	Very low	129 Å²	129	85.8 Å²	85.8	84%	0.838	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.7	179	25.6	-32.1	0	0	0	113.8	H124 G128	H124-P126 VanDerWaalsContact O-CD 3.27Å; H124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-G128 PolarHBondContact O-N 3.48Å
127	R	35.1	Very low	38.4	Very low	204 Å²	204	88.3 Å²	88.3	77%	0.77	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	20.6	-177.3	-61	172.6	-66.6	-176.2	1.9	115.2	D125 S129	D125-R127 PolarHBondContact O-N 3.01Å; D125-R127 WeakPolarHBondContact OD1-CB 3.43Å; D125-R127 WeakPolarHBondContact OD1-CG 3.18Å; D125-R127 IonicContact OD1-CZ 3.87Å; D125-R127 PolarHBondContact OD1-N 2.93Å; D125-R127 IonicContact OD1-NE 2.97Å; D125-R127 PolarHBondContact OD1-NE 2.79Å; D125-R127 IonicContact OD1-NH2 3.44Å; D125-R127 IonicContact OD2-CZ 3.79Å; D125-R127 IonicContact OD2-NE 3.31Å; D125-R127 PolarHBondContact OD2-NE 2.78Å; D125-R127 IonicContact OD2-NH2 3.71Å; D125-R127 PolarHBondContact OD2-NH2 3.5Å; R127-S129 VanDerWaalsContact C-N 3.27Å; R127-S129 PolarHBondContact O-N 2.84Å
128	G	30.5	Very low	38.5	Very low	75 Å²	75	82 Å²	82	77%	0.773	46%	0.463	S	S	*	.			trans	69.5	17.2	166.9	0	0	0	0	0	115.6	P126	P126-G128 PolarHBondContact O-N 3.48Å
129	S	34.9	Very low	38.7	Very low	75 Å²	75	82 Å²	82	52%	0.524	46%	0.457	S	S	.	.			trans	-81.1	124.1	168.7	-162.9	0	0	0	0	108.7	R127 S131	R127-S129 VanDerWaalsContact C-N 3.27Å; R127-S129 PolarHBondContact O-N 2.84Å; S129-S131 PolarHBondContact O-N 3.34Å; S129-S131 WeakPolarHBondContact OG-CB 3.14Å
130	K	37.8	Very low	39	Very low	195 Å²	195	80 Å²	80	85%	0.848	45%	0.447	S	S	*	.			trans	-67.7	28.6	173.3	-63.9	-171.7	176.8	-172.4	0	113.2
131	S	41.3	Very low	38.8	Very low	23 Å²	23	79.3 Å²	79.3	16%	0.161	45%	0.445	C	S	.	.			trans	-108.2	101.7	-172.1	173.2	0	0	0	0	108	V104 S129 D133	V104-S131 WeakPolarHBondContact CB-OG 3.43Å; S129-S131 PolarHBondContact O-N 3.34Å; S129-S131 WeakPolarHBondContact OG-CB 3.14Å; S131-D133 PolarHBondContact O-N 3.28Å
132	T	44.8	Very low	38.7	Very low	25 Å²	25	78.7 Å²	78.7	15%	0.153	43%	0.434	C	S	.	.			trans	-71.3	111.5	171.3	-54.5	0	0	0	0	108.3	I134	T132-I134 HydrophobicContact CG2-CG1 4.16Å; T132-I134 PolarHBondContact O-N 2.94Å
133	D	43.1	Very low	38.6	Very low	16 Å²	16	78.2 Å²	78.2	9%	0.086	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.9	165.4	-78.7	-32.7	0	0	0	107.8	K107 S131 F135	K107-D133 WeakPolarHBondContact CE-OD1 2.98Å; K107-D133 VanDerWaalsContact NZ-CG 3.31Å; K107-D133 IonicContact NZ-OD1 3.78Å; K107-D133 PolarHBondContact NZ-OD1 2.78Å; K107-D133 IonicContact NZ-OD2 3.61Å; K107-D133 PolarHBondContact NZ-OD2 2.95Å; S131-D133 PolarHBondContact O-N 3.28Å; D133-F135 HydrophobicContact CB-CE2 4.07Å; D133-F135 HydrophobicContact CB-CZ 4.41Å
134	I	45.4	Very low	38.7	Very low	10 Å²	10	79.5 Å²	79.5	5%	0.051	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.6	172.8	-59.4	-177.3	0	0	0	108.2	V82 V103 Q105 M106 K107 L120 T132 V136	V82-I134 HydrophobicContact CG2-CD1 3.65Å; V103-I134 HydrophobicContact CB-CD1 4.31Å; V103-I134 HydrophobicContact CG1-CD1 3.71Å; V103-I134 HydrophobicContact CG1-CG1 4.19Å; V103-I134 HydrophobicContact CG2-CD1 3.6Å; Q105-I134 PolarHBondContact O-N 2.88Å; M106-I134 CarbonylContact C-O 3.56Å; M106-I134 VanDerWaalsContact CA-O 3.29Å; M106-I134 WeakPolarHBondContact CA-O 3.37Å; M106-I134 HydrophobicContact CE-CB 4.22Å; M106-I134 HydrophobicContact CE-CG2 3.85Å; M106-I134 HydrophobicContact CG-CB 4.36Å; K107-I134 PolarHBondContact N-O 3.33Å; L120-I134 HydrophobicContact CD2-CG2 4.41Å; T132-I134 HydrophobicContact CG2-CG1 4.16Å; T132-I134 PolarHBondContact O-N 2.94Å; I134-V136 HydrophobicContact CG2-CG2 4.27Å
135	F	43.5	Very low	39.2	Very low	74 Å²	74	72.2 Å²	72.2	33%	0.325	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.8	173.8	-67.2	-88.7	0	0	0	108.6	K107 A109 F116 C123 D133	K107-F135 HydrophobicContact CB-CD1 4.4Å; K107-F135 HydrophobicContact CB-CE1 4.31Å; K107-F135 CarbonylContact O-C 3.35Å; K107-F135 VanDerWaalsContact O-CA 3.28Å; K107-F135 WeakPolarHBondContact O-CA 3.39Å; A109-F135 HydrophobicContact CB-CB 3.86Å; A109-F135 HydrophobicContact CB-CD1 4.1Å; A109-F135 HydrophobicContact CB-CG 4.41Å; F116-F135 WeakPolarHBondContact CE2-O 3.39Å; F116-F135 WeakPolarHBondContact CZ-O 3.38Å; C123-F135 HydrophobicContact CB-CE2 4.36Å; C123-F135 WeakPolarHBondContact SG-CE2 3.45Å; C123-F135 VanDerWaalsContact SG-CZ 3.52Å; D133-F135 HydrophobicContact CB-CE2 4.07Å; D133-F135 HydrophobicContact CB-CZ 4.41Å
136	V	42.9	Very low	39.6	Very low	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.412	C	S	.	.			trans	-101.4	0	170.6	-160	0	0	0	0	111.6	T65 A74 L84 M106 K107 H108 A109 F113 F116 I134	T65-V136 HydrophobicContact CG2-CB 3.74Å; T65-V136 HydrophobicContact CG2-CG1 4.46Å; T65-V136 HydrophobicContact CG2-CG2 3.69Å; A74-V136 HydrophobicContact CB-CB 4.19Å; A74-V136 HydrophobicContact CB-CG1 3.73Å; A74-V136 HydrophobicContact CB-CG2 3.8Å; L84-V136 HydrophobicContact CD2-CG1 4.21Å; M106-V136 HydrophobicContact CB-CG2 4.43Å; M106-V136 HydrophobicContact CE-CG2 3.32Å; M106-V136 HydrophobicContact SD-CG2 4.36Å; K107-V136 PolarHBondContact O-N 3.26Å; H108-V136 CarbonylContact C-O 3.53Å; H108-V136 VanDerWaalsContact CA-O 3.29Å; H108-V136 WeakPolarHBondContact CA-O 3.27Å; H108-V136 PolarHBondContact CD2-O 2.93Å; A109-V136 PolarHBondContact N-O 2.75Å; F113-V136 HydrophobicContact CD2-CG1 4.13Å; F113-V136 VanDerWaalsContact CD2-OXT 3.3Å; F113-V136 WeakPolarHBondContact CD2-OXT 3.44Å; F113-V136 HydrophobicContact CE2-CB 4.34Å; F113-V136 HydrophobicContact CE2-CG1 3.44Å; F113-V136 VanDerWaalsContact CE2-CG1 3.44Å; F113-V136 HydrophobicContact CZ-CG1 3.99Å; F116-V136 HydrophobicContact CD1-CG1 4.4Å; F116-V136 HydrophobicContact CD2-CG1 4.3Å; F116-V136 WeakPolarHBondContact CD2-OXT 3.47Å; F116-V136 HydrophobicContact CE1-CG1 3.88Å; F116-V136 HydrophobicContact CE2-CB 4.13Å; F116-V136 HydrophobicContact CE2-CG1 3.87Å; F116-V136 WeakPolarHBondContact CE2-OXT 3.35Å; F116-V136 HydrophobicContact CZ-CB 3.89Å; F116-V136 HydrophobicContact CZ-CG1 3.62Å; F116-V136 HydrophobicContact CZ-CG2 4.05Å; I134-V136 HydrophobicContact CG2-CG2 4.27Å

Retrieved 136 of 136 residues in 109.4 ms (Link to these results)

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