A0A087WXP0_HUMAN Loading...

Azurocidin

AlphaFold DB , UniProt , Accession A0A087WXP0, Species HUMAN (Homo sapiens, Human), Gene AZU1, Length 150 aa.

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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	88.7	Confident	77.8	Confident	107 Å²	107	69.2 Å²	69.2	53%	0.527	39%	0.392	S	S	.	.				0	133.5	0	-177.7	-177.4	-75.9	0	0	107.9	L54 M55 L56 L74 I134	M1-L54 HydrophobicContact CE-CD1 4.33Å; M1-L54 HydrophobicContact CG-CD1 3.48Å; M1-L54 VanDerWaalsContact CG-CD1 3.48Å; M1-L54 HydrophobicContact SD-CD1 3.75Å; M1-M55 CarbonylContact C-O 3.58Å; M1-M55 WeakPolarHBondContact CA-O 3.38Å; M1-L56 HydrophobicContact CB-CD2 4.19Å; M1-L56 HydrophobicContact CE-CD2 4.12Å; M1-L56 HydrophobicContact CG-CD2 4.25Å; M1-L74 HydrophobicContact CE-CD1 3.77Å; M1-L74 HydrophobicContact CE-CD2 3.69Å; M1-L74 HydrophobicContact CE-CG 4.41Å; M1-L74 HydrophobicContact SD-CD2 4.26Å; M1-I134 HydrophobicContact SD-CD1 4.2Å
2	T	87.3	Confident	76.5	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.288	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-153.1	177.1	-178.7	-172.6	0	0	0	0	109.5	F7 M55 L57	T2-F7 HydrophobicContact CG2-CD2 4.4Å; T2-F7 HydrophobicContact CG2-CE2 3.74Å; T2-M55 HydrophobicContact CG2-CB 3.86Å; T2-M55 HydrophobicContact CG2-CG 4.13Å; T2-M55 PolarHBondContact N-O 3.19Å; T2-M55 PolarHBondContact O-N 3.07Å; T2-L57 HydrophobicContact CG2-CD1 3.95Å; T2-L57 HydrophobicContact CG2-CD2 4.17Å; T2-L57 HydrophobicContact CG2-CG 3.93Å
3	A	86.6	Confident	75.5	Confident	27 Å²	27	67.8 Å²	67.8	22%	0.223	41%	0.413	C	S	.	.			trans	-77.5	142.8	170.2	0	0	0	0	0	111.3	C6 D53	A3-C6 WeakPolarHBondContact O-CB 3.46Å; A3-C6 PolarHBondContact O-N 3.35Å; A3-D53 WeakPolarHBondContact CB-OD1 3.42Å
4	A	86.8	Confident	75.3	Confident	2 Å²	2	71.5 Å²	71.5	2%	0.017	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-71.4	-32.5	175	0	0	0	0	0	111.7	C6 F7 Y45 D53 M55	A4-C6 PolarHBondContact O-N 2.81Å; A4-C6 VanDerWaalsContact O-N 3.1Å; A4-F7 PolarHBondContact O-N 3.41Å; A4-Y45 HydrophobicContact CB-CD1 3.5Å; A4-Y45 HydrophobicContact CB-CD2 4.3Å; A4-Y45 HydrophobicContact CB-CE1 4.16Å; A4-Y45 HydrophobicContact CB-CG 3.6Å; A4-D53 WeakPolarHBondContact CA-OD1 3.32Å; A4-D53 PolarHBondContact N-OD1 2.86Å; A4-M55 HydrophobicContact CB-CB 4.18Å; A4-M55 HydrophobicContact CB-CE 4.21Å
5	S	83.1	Confident	75.9	Confident	43 Å²	43	68.3 Å²	68.3	30%	0.301	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-54.3	-27	173.1	58.2	0	0	0	0	114	F7 Y45 D53	S5-F7 PolarHBondContact O-N 3.21Å; S5-Y45 WeakPolarHBondContact CB-OH 3.17Å; S5-D53 WeakPolarHBondContact CB-OD1 3.01Å; S5-D53 WeakPolarHBondContact CB-OD2 3.49Å; S5-D53 PolarHBondContact N-OD1 3.18Å; S5-D53 PolarHBondContact OG-OD1 3.18Å; S5-D53 PolarHBondContact OG-OD2 2.91Å
6	C	81.8	Confident	76.8	Confident	59 Å²	59	69.3 Å²	69.3	40%	0.399	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22.2	174.9	-70.5	0	0	0	0	113.9	A3 A4 Q10	A3-C6 WeakPolarHBondContact O-CB 3.46Å; A3-C6 PolarHBondContact O-N 3.35Å; A4-C6 PolarHBondContact O-N 2.81Å; A4-C6 VanDerWaalsContact O-N 3.1Å; C6-Q10 PolarHBondContact O-NE2 3.24Å
7	F	78.7	Confident	77.7	Confident	32 Å²	32	66.9 Å²	66.9	14%	0.14	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-110.7	-1.7	-173.7	-70.9	-90.7	0	0	0	114	T2 A4 S5 S9 Q10 I37 M40 L57	T2-F7 HydrophobicContact CG2-CD2 4.4Å; T2-F7 HydrophobicContact CG2-CE2 3.74Å; A4-F7 PolarHBondContact O-N 3.41Å; S5-F7 PolarHBondContact O-N 3.21Å; F7-S9 VanDerWaalsContact C-N 3.27Å; F7-S9 PolarHBondContact O-N 2.81Å; F7-Q10 PolarHBondContact O-N 2.82Å; F7-I37 HydrophobicContact CE1-CD1 4.25Å; F7-I37 HydrophobicContact CZ-CD1 4.23Å; F7-M40 HydrophobicContact CD1-SD 4.16Å; F7-M40 HydrophobicContact CE1-SD 4.27Å; F7-L57 HydrophobicContact CE2-CD1 4.43Å; F7-L57 HydrophobicContact CE2-CD2 4.1Å; F7-L57 HydrophobicContact CZ-CD1 4.14Å; F7-L57 HydrophobicContact CZ-CD2 3.98Å
8	Q	72.7	Confident	78.6	Confident	108 Å²	108	66.2 Å²	66.2	51%	0.505	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.5	178.5	-87.2	-174.4	-2	0	0	113.8	Y45 P47	Q8-Y45 HydrophobicContact CG-CD1 4.41Å; Q8-Y45 HydrophobicContact CG-CE1 3.81Å; Q8-Y45 PolarHBondContact NE2-OH 2.98Å; Q8-P47 VanDerWaalsContact NE2-CG 3.33Å
9	S	65.1	Low	79.4	Confident	112 Å²	112	65.4 Å²	65.4	78%	0.783	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	4.6	-174.8	58.3	0	0	0	0	113.4	F7	F7-S9 VanDerWaalsContact C-N 3.27Å; F7-S9 PolarHBondContact O-N 2.81Å
10	Q	63.4	Low	80.1	Confident	108 Å²	108	62.9 Å²	62.9	51%	0.505	39%	0.385	S	S	.	.	S	Bend	trans	-114.7	136.7	-174.7	-63.7	-158.3	55.6	0	0	111.3	C6 F7 P12	C6-Q10 PolarHBondContact O-NE2 3.24Å; F7-Q10 PolarHBondContact O-N 2.82Å; Q10-P12 VanDerWaalsContact O-CD 3.26Å; Q10-P12 WeakPolarHBondContact O-CD 3.45Å
11	N	62.1	Low	80.7	Confident	116 Å²	116	60.9 Å²	60.9	62%	0.62	38%	0.375	S	S	*	.			trans	-70.8	118.6	169	-170	-18.4	0	0	0	108.6	G13 V14	N11-G13 PolarHBondContact O-N 2.67Å; N11-G13 VanDerWaalsContact O-N 3.12Å; N11-G13 PolarHBondContact OD1-N 3.07Å; N11-V14 HydrophobicContact CB-CG2 4.38Å; N11-V14 PolarHBondContact O-N 2.86Å
12	P	61.2	Low	80.8	Confident	47 Å²	47	61.8 Å²	61.8	31%	0.305	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-57.8	-30.3	-176.1	-26.8	35.2	0	0	0	114.7	Q10 V14 S15 M40	Q10-P12 VanDerWaalsContact O-CD 3.26Å; Q10-P12 WeakPolarHBondContact O-CD 3.45Å; P12-V14 PolarHBondContact O-N 3.13Å; P12-S15 PolarHBondContact O-N 3.41Å; P12-S15 VanDerWaalsContact O-N 3.13Å; P12-M40 HydrophobicContact CB-CE 3.13Å; P12-M40 HydrophobicContact CB-SD 3.6Å; P12-M40 HydrophobicContact CG-CE 3.29Å; P12-M40 HydrophobicContact CG-SD 4Å
13	G	63.9	Low	81.1	Confident	73 Å²	73	59.9 Å²	59.9	75%	0.753	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-65.2	-8.9	-178	0	0	0	0	0	115.1	N11	N11-G13 PolarHBondContact O-N 2.67Å; N11-G13 VanDerWaalsContact O-N 3.12Å; N11-G13 PolarHBondContact OD1-N 3.07Å
14	V	72.8	Confident	81.1	Confident	120 Å²	120	62.2 Å²	62.2	73%	0.727	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-103	-9.2	179.8	-167.6	0	0	0	0	112	N11 P12	N11-V14 HydrophobicContact CB-CG2 4.38Å; N11-V14 PolarHBondContact O-N 2.86Å; P12-V14 PolarHBondContact O-N 3.13Å
15	S	84.3	Confident	81.2	Confident	23 Å²	23	70 Å²	70	16%	0.161	40%	0.398	C	S	.	.			trans	-85.5	143.2	-175.6	-69.8	0	0	0	0	112.1	P12	P12-S15 PolarHBondContact O-N 3.41Å; P12-S15 VanDerWaalsContact O-N 3.13Å
16	T	90.1	Very high	81.4	Confident	84 Å²	84	75.9 Å²	75.9	52%	0.515	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.1	174.4	55.3	0	0	0	0	110.2	F35	T16-F35 CarbonylContact C-O 3.58Å; T16-F35 VanDerWaalsContact CA-O 3.31Å; T16-F35 WeakPolarHBondContact CA-O 3.09Å; T16-F35 WeakPolarHBondContact CB-O 3.43Å
17	V	92.6	Very high	81.6	Confident	29 Å²	29	82 Å²	82	18%	0.176	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.1	173.3	179.5	0	0	0	0	108.4	L19 T34 F35 I37 L57 L59	V17-L19 HydrophobicContact CG1-CD2 3.95Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; V17-T34 CarbonylContact O-C 3.58Å; V17-T34 WeakPolarHBondContact O-CA 3.47Å; V17-F35 HydrophobicContact CB-CB 4.34Å; V17-F35 PolarHBondContact N-O 3.03Å; V17-F35 PolarHBondContact O-N 3.06Å; V17-I37 HydrophobicContact CG2-CD1 4.38Å; V17-I37 HydrophobicContact CG2-CG1 4.05Å; V17-L57 HydrophobicContact CG2-CD1 3.87Å; V17-L59 HydrophobicContact CB-CD2 3.83Å; V17-L59 HydrophobicContact CG1-CD2 3.99Å; V17-L59 HydrophobicContact CG2-CD2 3.89Å
18	V	93.4	Very high	82.2	Confident	55 Å²	55	82.5 Å²	82.5	33%	0.333	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.2	177.3	-175.3	0	0	0	0	109.1	A21 R32 Q33 T34	V18-A21 HydrophobicContact CG1-CB 3.96Å; V18-R32 HydrophobicContact CG1-CG 3.63Å; V18-Q33 WeakPolarHBondContact CA-O 2.94Å; V18-T34 HydrophobicContact CG2-CG2 4.31Å
19	L	94.8	Very high	82.8	Confident	50 Å²	50	86.5 Å²	86.5	26%	0.262	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	153	176.3	-55	-178.6	0	0	0	110.3	V17 A21 R32 Q33 F35 L59 A63 V69	V17-L19 HydrophobicContact CG1-CD2 3.95Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 2.76Å; L19-R32 WeakPolarHBondContact O-CA 3.44Å; L19-Q33 PolarHBondContact N-O 3.22Å; L19-Q33 PolarHBondContact O-N 3.05Å; L19-F35 HydrophobicContact CB-CE2 4.37Å; L19-F35 HydrophobicContact CD1-CD2 4.31Å; L19-F35 HydrophobicContact CD1-CE2 3.76Å; L19-F35 HydrophobicContact CD1-CZ 4.49Å; L19-F35 HydrophobicContact CG-CD2 4.31Å; L19-F35 HydrophobicContact CG-CE2 4Å; L19-L59 HydrophobicContact CD1-CD1 4.39Å; L19-A63 HydrophobicContact CD1-CB 3.66Å; L19-V69 HydrophobicContact CB-CG1 4.18Å; L19-V69 HydrophobicContact CB-CG2 3.96Å; L19-V69 HydrophobicContact CD1-CG1 4.03Å
20	G	93.4	Very high	83.8	Confident	16 Å²	16	89.6 Å²	89.6	17%	0.165	44%	0.444	C	S	.	.	S	Bend	trans	67.7	22.9	175	0	0	0	0	0	115.2	S31	G20-S31 WeakPolarHBondContact CA-O 3.28Å; G20-S31 CarbonylContact O-C 3.56Å; G20-S31 VanDerWaalsContact O-CB 3.29Å; G20-S31 WeakPolarHBondContact O-CB 3.19Å; G20-S31 PolarHBondContact O-OG 3.35Å
21	A	92.2	Very high	85.2	Confident	20 Å²	20	85.5 Å²	85.5	17%	0.165	43%	0.427	C	S	.	.			trans	-89.7	137.8	174.1	0	0	0	0	0	111	V18 L19 W92	V18-A21 HydrophobicContact CG1-CB 3.96Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 2.76Å; A21-W92 WeakPolarHBondContact O-CH2 3.07Å; A21-W92 WeakPolarHBondContact O-CZ2 3.4Å
22	Y	91.3	Very high	86.8	Confident	127 Å²	127	84 Å²	84	50%	0.498	41%	0.413	S	S	.	.	S	Bend	trans	-123.2	-48.1	172.3	-177.2	-100.4	0	0	0	110.9	E28 W92 F104 P105	Y22-E28 WeakPolarHBondContact CB-OE1 3.34Å; Y22-E28 PolarHBondContact N-OE2 3Å; Y22-W92 PolarHBondContact O-NE1 3.41Å; Y22-W92 VanDerWaalsContact O-NE1 3.12Å; Y22-F104 AromaticContact CD1-CD1 3.71Å; Y22-F104 HydrophobicContact CD1-CD1 3.71Å; Y22-F104 HydrophobicContact CD1-CE1 4.18Å; Y22-F104 HydrophobicContact CE1-CB 4.46Å; Y22-F104 AromaticContact CE1-CD1 3.46Å; Y22-F104 HydrophobicContact CE1-CD1 3.46Å; Y22-F104 VanDerWaalsContact CE1-CD1 3.46Å; Y22-F104 AromaticContact CE1-CE1 3.98Å; Y22-F104 HydrophobicContact CE1-CE1 3.98Å; Y22-F104 HydrophobicContact CE1-CG 4.23Å; Y22-P105 HydrophobicContact CD2-CG 3.58Å; Y22-P105 HydrophobicContact CE2-CG 3.62Å; Y22-P105 HydrophobicContact CG-CG 4.5Å; Y22-P105 WeakPolarHBondContact O-CD 3.39Å
23	D	92.1	Very high	88.4	Confident	6 Å²	6	83.3 Å²	83.3	3%	0.032	41%	0.406	C	S	.	.			trans	-101.8	105.8	176.6	-173.5	-12.1	0	0	0	111.5	R25 R26 E28 R103 F104	D23-R25 PolarHBondContact O-N 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.07Å; D23-R25 PolarHBondContact OD1-N 2.91Å; D23-R26 HydrophobicContact CB-CB 4.16Å; D23-R26 PolarHBondContact O-N 2.85Å; D23-R26 VanDerWaalsContact OD2-CD 3.26Å; D23-R26 WeakPolarHBondContact OD2-CD 3.17Å; D23-R26 VanDerWaalsContact OD2-CG 3.28Å; D23-R26 WeakPolarHBondContact OD2-CG 3.35Å; D23-E28 PolarHBondContact N-OE1 3.45Å; D23-E28 PolarHBondContact N-OE2 3.18Å; D23-E28 VanDerWaalsContact N-OE2 3.16Å; D23-R103 VanDerWaalsContact CG-NE 3.33Å; D23-R103 WeakPolarHBondContact OD1-CG 3.4Å; D23-R103 IonicContact OD1-CZ 3.98Å; D23-R103 IonicContact OD1-NE 3.01Å; D23-R103 PolarHBondContact OD1-NE 2.83Å; D23-R103 IonicContact OD2-CZ 3.23Å; D23-R103 VanDerWaalsContact OD2-CZ 3.23Å; D23-R103 IonicContact OD2-NE 2.97Å; D23-R103 PolarHBondContact OD2-NE 3.4Å; D23-R103 IonicContact OD2-NH2 2.69Å; D23-R103 PolarHBondContact OD2-NH2 3.47Å; D23-F104 HydrophobicContact CB-CD1 4.07Å; D23-F104 HydrophobicContact CB-CE1 3.71Å
24	L	87.5	Confident	89.8	Confident	76 Å²	76	82.7 Å²	82.7	40%	0.398	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	180	-66.4	-174.7	0	0	0	114	W92 R103	L24-W92 HydrophobicContact CD1-CB 3.55Å; L24-W92 VanDerWaalsContact CD1-CD1 3.41Å; L24-W92 HydrophobicContact CD1-CD2 4.26Å; L24-W92 HydrophobicContact CD1-CG 3.47Å; L24-W92 VanDerWaalsContact CD1-CG 3.47Å; L24-W92 HydrophobicContact CD2-CD2 4.38Å; L24-W92 HydrophobicContact CD2-CG 4.36Å; L24-W92 HydrophobicContact CG-CB 4.45Å; L24-W92 VanDerWaalsContact CG-CD1 3.4Å; L24-W92 HydrophobicContact CG-CD2 4.33Å; L24-W92 HydrophobicContact CG-CG 3.85Å; L24-R103 PolarHBondContact N-O 3.36Å
25	R	88.1	Confident	90.9	Very high	165 Å²	165	77 Å²	77	62%	0.623	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.6	178.3	-62.2	-175.9	-172.8	-179.2	0.9	113	D23 R103	D23-R25 PolarHBondContact O-N 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.07Å; D23-R25 PolarHBondContact OD1-N 2.91Å; R25-R103 HydrophobicContact CB-CG 4.38Å; R25-R103 HydrophobicContact CG-CG 3.98Å
26	R	88.9	Confident	91.3	Very high	168 Å²	168	79.2 Å²	79.2	63%	0.634	37%	0.369	S	S	*	.	S	Bend	trans	-116.2	147.5	179.4	-65.9	-175.5	79.3	-173.2	3.9	110.8	D23 E28	D23-R26 HydrophobicContact CB-CB 4.16Å; D23-R26 PolarHBondContact O-N 2.85Å; D23-R26 VanDerWaalsContact OD2-CD 3.26Å; D23-R26 WeakPolarHBondContact OD2-CD 3.17Å; D23-R26 VanDerWaalsContact OD2-CG 3.28Å; D23-R26 WeakPolarHBondContact OD2-CG 3.35Å; R26-E28 PolarHBondContact O-N 3.14Å
27	R	85.8	Confident	91.4	Very high	187 Å²	187	76.8 Å²	76.8	71%	0.706	35%	0.352	S	S	*	.			trans	-91.2	94.1	169.9	-169.3	175	178.4	-174.1	-0.3	108.7	R29	R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 HydrophobicContact CG-CG 4.49Å; R27-R29 PolarHBondContact O-N 2.85Å
28	E	90.3	Very high	91.5	Very high	42 Å²	42	78.6 Å²	78.6	20%	0.196	37%	0.366	C	S	.	.			trans	-76	81.5	179.7	-62.8	166.3	122.7	0	0	110.1	Y22 D23 R26 Q30 S31 R32	Y22-E28 WeakPolarHBondContact CB-OE1 3.34Å; Y22-E28 PolarHBondContact N-OE2 3Å; D23-E28 PolarHBondContact N-OE1 3.45Å; D23-E28 PolarHBondContact N-OE2 3.18Å; D23-E28 VanDerWaalsContact N-OE2 3.16Å; R26-E28 PolarHBondContact O-N 3.14Å; E28-Q30 PolarHBondContact O-N 3.11Å; E28-Q30 VanDerWaalsContact O-N 3.09Å; E28-S31 WeakPolarHBondContact CB-OG 3.21Å; E28-S31 PolarHBondContact O-N 2.01Å; E28-R32 HydrophobicContact CB-CB 4.29Å; E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 PolarHBondContact O-N 3.15Å
29	R	84.9	Confident	91.4	Very high	192 Å²	192	78.4 Å²	78.4	73%	0.725	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.7	-167.8	-69	-176	179.6	-111.8	4.8	114.5	R27	R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 HydrophobicContact CG-CG 4.49Å; R27-R29 PolarHBondContact O-N 2.85Å
30	Q	87.5	Confident	91.1	Very high	177 Å²	177	79.4 Å²	79.4	83%	0.827	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-40.3	-177	-65	85.2	-11	0	0	113	E28	E28-Q30 PolarHBondContact O-N 3.11Å; E28-Q30 VanDerWaalsContact O-N 3.09Å
31	S	92.3	Very high	91	Very high	22 Å²	22	82.2 Å²	82.2	15%	0.154	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-32.3	-175.3	61.1	0	0	0	0	113	G20 E28	G20-S31 WeakPolarHBondContact CA-O 3.28Å; G20-S31 CarbonylContact O-C 3.56Å; G20-S31 VanDerWaalsContact O-CB 3.29Å; G20-S31 WeakPolarHBondContact O-CB 3.19Å; G20-S31 PolarHBondContact O-OG 3.35Å; E28-S31 WeakPolarHBondContact CB-OG 3.21Å; E28-S31 PolarHBondContact O-N 2.01Å
32	R	94.9	Very high	90.7	Very high	85 Å²	85	86 Å²	86	32%	0.321	40%	0.403	S	S	.	.			trans	-80	125.8	-171.4	-174.8	177.5	163.4	171.2	-1.3	111.7	V18 L19 E28	V18-R32 HydrophobicContact CG1-CG 3.63Å; L19-R32 WeakPolarHBondContact O-CA 3.44Å; E28-R32 HydrophobicContact CB-CB 4.29Å; E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 PolarHBondContact O-N 3.15Å
33	Q	95.3	Very high	90.5	Very high	32 Å²	32	85.9 Å²	85.9	15%	0.15	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	174.5	-60.2	175.9	57.4	0	0	109.4	V18 L19 F35 N64	V18-Q33 WeakPolarHBondContact CA-O 2.94Å; L19-Q33 PolarHBondContact N-O 3.22Å; L19-Q33 PolarHBondContact O-N 3.05Å; Q33-F35 HydrophobicContact CB-CD2 4.46Å; Q33-F35 HydrophobicContact CB-CE2 3.42Å; Q33-F35 VanDerWaalsContact CB-CE2 3.42Å; Q33-F35 HydrophobicContact CB-CZ 3.69Å; Q33-N64 PolarHBondContact NE2-O 3.34Å
34	T	94.3	Very high	90.3	Very high	60 Å²	60	88 Å²	88	37%	0.368	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.2	-179.5	-55.7	0	0	0	0	110.1	V17 V18 R61	V17-T34 CarbonylContact O-C 3.58Å; V17-T34 WeakPolarHBondContact O-CA 3.47Å; V18-T34 HydrophobicContact CG2-CG2 4.31Å; T34-R61 PolarHBondContact O-NH1 2.87Å; T34-R61 PolarHBondContact O-NH2 3.05Å
35	F	94.9	Very high	90.2	Very high	1 Å²	1	85.5 Å²	85.5	0%	0.004	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.2	-175.7	-58.6	-88.8	0	0	0	110.5	T16 V17 L19 Q33 L59 D60 R61 A63	T16-F35 CarbonylContact C-O 3.58Å; T16-F35 VanDerWaalsContact CA-O 3.31Å; T16-F35 WeakPolarHBondContact CA-O 3.09Å; T16-F35 WeakPolarHBondContact CB-O 3.43Å; V17-F35 HydrophobicContact CB-CB 4.34Å; V17-F35 PolarHBondContact N-O 3.03Å; V17-F35 PolarHBondContact O-N 3.06Å; L19-F35 HydrophobicContact CB-CE2 4.37Å; L19-F35 HydrophobicContact CD1-CD2 4.31Å; L19-F35 HydrophobicContact CD1-CE2 3.76Å; L19-F35 HydrophobicContact CD1-CZ 4.49Å; L19-F35 HydrophobicContact CG-CD2 4.31Å; L19-F35 HydrophobicContact CG-CE2 4Å; Q33-F35 HydrophobicContact CB-CD2 4.46Å; Q33-F35 HydrophobicContact CB-CE2 3.42Å; Q33-F35 VanDerWaalsContact CB-CE2 3.42Å; Q33-F35 HydrophobicContact CB-CZ 3.69Å; F35-L59 HydrophobicContact CB-CB 4.29Å; F35-L59 HydrophobicContact CB-CD2 3.95Å; F35-L59 HydrophobicContact CB-CG 4.47Å; F35-L59 HydrophobicContact CD1-CB 4.18Å; F35-L59 HydrophobicContact CD1-CD1 4.09Å; F35-L59 HydrophobicContact CD2-CD1 4.17Å; F35-L59 HydrophobicContact CE1-CD1 4.36Å; F35-L59 HydrophobicContact CE2-CD1 4.44Å; F35-L59 HydrophobicContact CG-CB 4.36Å; F35-L59 HydrophobicContact CG-CD1 4Å; F35-L59 HydrophobicContact CG-CD2 4.29Å; F35-L59 HydrophobicContact CG-CG 4.44Å; F35-D60 VanDerWaalsContact CA-OD1 3.31Å; F35-D60 WeakPolarHBondContact CA-OD1 3.32Å; F35-D60 VanDerWaalsContact CB-OD1 3.31Å; F35-D60 WeakPolarHBondContact CB-OD1 3.49Å; F35-R61 HydrophobicContact CD1-CG 3.83Å; F35-R61 HydrophobicContact CE1-CG 3.78Å; F35-A63 HydrophobicContact CE1-CB 4.25Å; F35-A63 HydrophobicContact CE2-CB 4.15Å; F35-A63 HydrophobicContact CZ-CB 3.61Å
36	S	93.8	Very high	89.9	Confident	70 Å²	70	80.2 Å²	80.2	49%	0.49	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	159.2	162.8	-63.9	0	0	0	0	108.7	D60	S36-D60 PolarHBondContact N-OD1 2.92Å; S36-D60 PolarHBondContact O-N 3.37Å
37	I	92.1	Very high	89.6	Confident	33 Å²	33	75.8 Å²	75.8	17%	0.169	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.3	177	-59.7	168.1	0	0	0	107.7	F7 V17 S39 M40 L57 Q58	F7-I37 HydrophobicContact CE1-CD1 4.25Å; F7-I37 HydrophobicContact CZ-CD1 4.23Å; V17-I37 HydrophobicContact CG2-CD1 4.38Å; V17-I37 HydrophobicContact CG2-CG1 4.05Å; I37-S39 VanDerWaalsContact CG2-O 3.29Å; I37-S39 WeakPolarHBondContact CG2-O 3.43Å; I37-M40 HydrophobicContact CG2-CG 3.58Å; I37-M40 HydrophobicContact CG2-SD 4.44Å; I37-L57 HydrophobicContact CD1-CD1 4.01Å; I37-L57 HydrophobicContact CD1-CD2 4.3Å; I37-L57 HydrophobicContact CG2-CB 4.44Å; I37-L57 HydrophobicContact CG2-CD2 4.42Å; I37-Q58 WeakPolarHBondContact CA-O 3.28Å
38	S	92.8	Very high	89.4	Confident	67 Å²	67	75.2 Å²	75.2	47%	0.469	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-39.1	179.6	51.4	0	0	0	0	112.2	Q58 L59	S38-Q58 PolarHBondContact N-O 3.01Å; S38-Q58 WeakPolarHBondContact OG-CB 3.18Å; S38-Q58 WeakPolarHBondContact OG-CG 3.09Å; S38-Q58 PolarHBondContact OG-O 2.97Å; S38-L59 VanDerWaalsContact OG-C 3.31Å; S38-L59 PolarHBondContact OG-O 2.93Å
39	S	91.5	Very high	88.9	Confident	50 Å²	50	77.3 Å²	77.3	35%	0.35	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.1	175	79.8	0	0	0	0	110.7	I37 Q58	I37-S39 VanDerWaalsContact CG2-O 3.29Å; I37-S39 WeakPolarHBondContact CG2-O 3.43Å; S39-Q58 PolarHBondContact O-N 2.69Å; S39-Q58 WeakPolarHBondContact OG-CB 3.26Å; S39-Q58 PolarHBondContact OG-OE1 3.16Å
40	M	89.8	Confident	88.4	Confident	71 Å²	71	72.5 Å²	72.5	35%	0.35	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.6	173.3	-50.4	166.8	-74.2	0	0	109.5	F7 P12 I37 M55 L56 L57	F7-M40 HydrophobicContact CD1-SD 4.16Å; F7-M40 HydrophobicContact CE1-SD 4.27Å; P12-M40 HydrophobicContact CB-CE 3.13Å; P12-M40 HydrophobicContact CB-SD 3.6Å; P12-M40 HydrophobicContact CG-CE 3.29Å; P12-M40 HydrophobicContact CG-SD 4Å; I37-M40 HydrophobicContact CG2-CG 3.58Å; I37-M40 HydrophobicContact CG2-SD 4.44Å; M40-M55 HydrophobicContact CB-SD 3.74Å; M40-L56 VanDerWaalsContact CA-O 3.29Å; M40-L56 WeakPolarHBondContact CA-O 3.34Å; M40-L57 HydrophobicContact CB-CD2 4.3Å; M40-L57 HydrophobicContact CG-CD2 3.74Å; M40-L57 HydrophobicContact SD-CD2 4.3Å
41	S	90.6	Very high	88.1	Confident	75 Å²	75	66 Å²	66	52%	0.524	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.5	179.2	178.2	0	0	0	0	109.8	M55 L56	S41-M55 VanDerWaalsContact O-SD 3.32Å; S41-L56 PolarHBondContact N-O 3.35Å; S41-L56 PolarHBondContact O-N 3.26Å
42	E	85.8	Confident	87.6	Confident	100 Å²	100	67 Å²	67	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	167.7	172.1	58.1	168.1	-151.3	0	0	110.9	M55	E42-M55 HydrophobicContact CB-CE 3.65Å; E42-M55 HydrophobicContact CB-SD 3.87Å; E42-M55 HydrophobicContact CG-CE 4.03Å
43	N	87.5	Confident	87	Confident	124 Å²	124	64.5 Å²	64.5	66%	0.663	37%	0.367	S	S	*	.	S	Bend	trans	-116.5	55.1	-179.1	-170.8	31.9	0	0	0	111.7	N52	N43-N52 VanDerWaalsContact O-CB 3.31Å; N43-N52 WeakPolarHBondContact O-CB 3.41Å; N43-N52 PolarHBondContact O-ND2 3.16Å
44	G	87.1	Confident	86.5	Confident	50 Å²	50	66 Å²	66	52%	0.515	38%	0.376	S	S	.	.			trans	64.5	62.7	177.4	0	0	0	0	0	112.5	D46 N52	G44-D46 PolarHBondContact O-N 3.07Å; G44-N52 PolarHBondContact O-ND2 3.12Å
45	Y	85.4	Confident	86.1	Confident	25 Å²	25	63.8 Å²	63.8	10%	0.098	36%	0.361	C	S	.	.			trans	-65.1	127.6	175.9	173.1	-135.1	0	0	0	110.5	A4 S5 Q8 N50 L51 D53	A4-Y45 HydrophobicContact CB-CD1 3.5Å; A4-Y45 HydrophobicContact CB-CD2 4.3Å; A4-Y45 HydrophobicContact CB-CE1 4.16Å; A4-Y45 HydrophobicContact CB-CG 3.6Å; S5-Y45 WeakPolarHBondContact CB-OH 3.17Å; Q8-Y45 HydrophobicContact CG-CD1 4.41Å; Q8-Y45 HydrophobicContact CG-CE1 3.81Å; Q8-Y45 PolarHBondContact NE2-OH 2.98Å; Y45-N50 PolarHBondContact OH-OD1 3.47Å; Y45-L51 WeakPolarHBondContact CA-O 3.35Å; Y45-L51 VanDerWaalsContact CD2-O 3.26Å; Y45-L51 WeakPolarHBondContact CD2-O 3.2Å; Y45-D53 HydrophobicContact CD2-CB 3.92Å; Y45-D53 HydrophobicContact CE2-CB 3.7Å
46	D	83.5	Confident	86	Confident	54 Å²	54	67.9 Å²	67.9	29%	0.289	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-102.7	109.6	175.2	-176.9	-20.6	0	0	0	109.9	G44 Q48 Q49 N50 L51	G44-D46 PolarHBondContact O-N 3.07Å; D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.2Å; D46-Q48 PolarHBondContact OD1-N 3.13Å; D46-Q49 HydrophobicContact CB-CB 4.37Å; D46-Q49 PolarHBondContact OD1-N 2.66Å; D46-Q49 VanDerWaalsContact OD1-N 3.16Å; D46-Q49 WeakPolarHBondContact OD2-CB 3.29Å; D46-Q49 WeakPolarHBondContact OD2-CG 3.48Å; D46-N50 WeakPolarHBondContact O-CA 3.35Å; D46-N50 PolarHBondContact O-N 2.98Å; D46-L51 HydrophobicContact CB-CB 4.05Å; D46-L51 PolarHBondContact N-O 3.41Å; D46-L51 PolarHBondContact O-N 3.47Å
47	P	80.8	Confident	85.9	Confident	74 Å²	74	66.4 Å²	66.4	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.3	178.2	-20.4	29.9	0	0	0	114.2	Q8	Q8-P47 VanDerWaalsContact NE2-CG 3.33Å
48	Q	83.2	Confident	86	Confident	175 Å²	175	70.5 Å²	70.5	82%	0.818	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-35.7	-171.9	-64.9	-151.3	-4.6	0	0	110.9	D46	D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.2Å; D46-Q48 PolarHBondContact OD1-N 3.13Å
49	Q	77.9	Confident	86.1	Confident	87 Å²	87	69.5 Å²	69.5	41%	0.407	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-5.9	-178.1	-61.3	-63.4	-37.7	0	0	113.6	D46 L51 R131	D46-Q49 HydrophobicContact CB-CB 4.37Å; D46-Q49 PolarHBondContact OD1-N 2.66Å; D46-Q49 VanDerWaalsContact OD1-N 3.16Å; D46-Q49 WeakPolarHBondContact OD2-CB 3.29Å; D46-Q49 WeakPolarHBondContact OD2-CG 3.48Å; Q49-L51 HydrophobicContact CB-CD1 3.62Å; Q49-L51 HydrophobicContact CB-CG 3.57Å; Q49-L51 HydrophobicContact CG-CD1 4.3Å; Q49-L51 PolarHBondContact O-N 2.67Å; Q49-R131 PolarHBondContact O-NE 3.13Å; Q49-R131 VanDerWaalsContact OE1-NH2 3.1Å
50	N	75.1	Confident	86.3	Confident	91 Å²	91	70.6 Å²	70.6	49%	0.487	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	43.2	-170.3	-69	-51.2	0	0	0	112.6	Y45 D46	Y45-N50 PolarHBondContact OH-OD1 3.47Å; D46-N50 WeakPolarHBondContact O-CA 3.35Å; D46-N50 PolarHBondContact O-N 2.98Å
51	L	81.4	Confident	86.7	Confident	39 Å²	39	73 Å²	73	20%	0.204	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-94.2	141.8	178.7	-59.3	170.9	0	0	0	110.2	Y45 D46 Q49 D53 R130 R131	Y45-L51 WeakPolarHBondContact CA-O 3.35Å; Y45-L51 VanDerWaalsContact CD2-O 3.26Å; Y45-L51 WeakPolarHBondContact CD2-O 3.2Å; D46-L51 HydrophobicContact CB-CB 4.05Å; D46-L51 PolarHBondContact N-O 3.41Å; D46-L51 PolarHBondContact O-N 3.47Å; Q49-L51 HydrophobicContact CB-CD1 3.62Å; Q49-L51 HydrophobicContact CB-CG 3.57Å; Q49-L51 HydrophobicContact CG-CD1 4.3Å; Q49-L51 PolarHBondContact O-N 2.67Å; L51-D53 PolarHBondContact O-N 2.79Å; L51-R130 WeakPolarHBondContact CA-O 3.36Å; L51-R130 HydrophobicContact CD2-CB 4.07Å; L51-R130 WeakPolarHBondContact CD2-O 3.26Å; L51-R131 HydrophobicContact CD2-CB 4.42Å; L51-R131 HydrophobicContact CD2-CG 3.37Å
52	N	81.3	Confident	87	Confident	44 Å²	44	78.4 Å²	78.4	24%	0.235	40%	0.401	C	S	.	.	S	Bend	trans	55.6	43.2	-179.7	-47.9	-43.8	0	0	0	113.9	N43 G44 L54 R130	N43-N52 VanDerWaalsContact O-CB 3.31Å; N43-N52 WeakPolarHBondContact O-CB 3.41Å; N43-N52 PolarHBondContact O-ND2 3.16Å; G44-N52 PolarHBondContact O-ND2 3.12Å; N52-L54 PolarHBondContact O-N 3.22Å; N52-R130 PolarHBondContact N-O 2.66Å
53	D	82.1	Confident	87.5	Confident	33 Å²	33	75 Å²	75	18%	0.176	39%	0.39	C	S	.	.			trans	-73.5	63.1	177.4	-168.1	12.7	0	0	0	112.2	A3 A4 S5 Y45 L51	A3-D53 WeakPolarHBondContact CB-OD1 3.42Å; A4-D53 WeakPolarHBondContact CA-OD1 3.32Å; A4-D53 PolarHBondContact N-OD1 2.86Å; S5-D53 WeakPolarHBondContact CB-OD1 3.01Å; S5-D53 WeakPolarHBondContact CB-OD2 3.49Å; S5-D53 PolarHBondContact N-OD1 3.18Å; S5-D53 PolarHBondContact OG-OD1 3.18Å; S5-D53 PolarHBondContact OG-OD2 2.91Å; Y45-D53 HydrophobicContact CD2-CB 3.92Å; Y45-D53 HydrophobicContact CE2-CB 3.7Å; L51-D53 PolarHBondContact O-N 2.79Å
54	L	85.6	Confident	87.9	Confident	63 Å²	63	74.8 Å²	74.8	33%	0.33	39%	0.389	S	S	.	.			trans	-138.7	128.6	-176.4	-174.5	70.7	0	0	0	110.3	M1 N52	M1-L54 HydrophobicContact CE-CD1 4.33Å; M1-L54 HydrophobicContact CG-CD1 3.48Å; M1-L54 VanDerWaalsContact CG-CD1 3.48Å; M1-L54 HydrophobicContact SD-CD1 3.75Å; N52-L54 PolarHBondContact O-N 3.22Å
55	M	86.6	Confident	88.4	Confident	13 Å²	13	77.6 Å²	77.6	6%	0.064	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133	178.6	-178.7	68.6	74.9	0	0	110.4	M1 T2 A4 M40 S41 E42 L57	M1-M55 CarbonylContact C-O 3.58Å; M1-M55 WeakPolarHBondContact CA-O 3.38Å; T2-M55 HydrophobicContact CG2-CB 3.86Å; T2-M55 HydrophobicContact CG2-CG 4.13Å; T2-M55 PolarHBondContact N-O 3.19Å; T2-M55 PolarHBondContact O-N 3.07Å; A4-M55 HydrophobicContact CB-CB 4.18Å; A4-M55 HydrophobicContact CB-CE 4.21Å; M40-M55 HydrophobicContact CB-SD 3.74Å; S41-M55 VanDerWaalsContact O-SD 3.32Å; E42-M55 HydrophobicContact CB-CE 3.65Å; E42-M55 HydrophobicContact CB-SD 3.87Å; E42-M55 HydrophobicContact CG-CE 4.03Å; M55-L57 HydrophobicContact CG-CD2 3.82Å
56	L	92.4	Very high	88.9	Confident	88 Å²	88	79.2 Å²	79.2	46%	0.461	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.4	169.5	-61.1	-177.6	0	0	0	109.1	M1 M40 S41	M1-L56 HydrophobicContact CB-CD2 4.19Å; M1-L56 HydrophobicContact CE-CD2 4.12Å; M1-L56 HydrophobicContact CG-CD2 4.25Å; M40-L56 VanDerWaalsContact CA-O 3.29Å; M40-L56 WeakPolarHBondContact CA-O 3.34Å; S41-L56 PolarHBondContact N-O 3.35Å; S41-L56 PolarHBondContact O-N 3.26Å
57	L	91.6	Very high	89.3	Confident	39 Å²	39	83 Å²	83	20%	0.204	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.3	176	-53.1	-178.5	0	0	0	107.6	T2 F7 V17 I37 M40 M55	T2-L57 HydrophobicContact CG2-CD1 3.95Å; T2-L57 HydrophobicContact CG2-CD2 4.17Å; T2-L57 HydrophobicContact CG2-CG 3.93Å; F7-L57 HydrophobicContact CE2-CD1 4.43Å; F7-L57 HydrophobicContact CE2-CD2 4.1Å; F7-L57 HydrophobicContact CZ-CD1 4.14Å; F7-L57 HydrophobicContact CZ-CD2 3.98Å; V17-L57 HydrophobicContact CG2-CD1 3.87Å; I37-L57 HydrophobicContact CD1-CD1 4.01Å; I37-L57 HydrophobicContact CD1-CD2 4.3Å; I37-L57 HydrophobicContact CG2-CB 4.44Å; I37-L57 HydrophobicContact CG2-CD2 4.42Å; M40-L57 HydrophobicContact CB-CD2 4.3Å; M40-L57 HydrophobicContact CG-CD2 3.74Å; M40-L57 HydrophobicContact SD-CD2 4.3Å; M55-L57 HydrophobicContact CG-CD2 3.82Å
58	Q	94.2	Very high	89.9	Confident	119 Å²	119	82.6 Å²	82.6	56%	0.556	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.5	168.8	-165.9	177.3	14	0	0	108.5	I37 S38 S39	I37-Q58 WeakPolarHBondContact CA-O 3.28Å; S38-Q58 PolarHBondContact N-O 3.01Å; S38-Q58 WeakPolarHBondContact OG-CB 3.18Å; S38-Q58 WeakPolarHBondContact OG-CG 3.09Å; S38-Q58 PolarHBondContact OG-O 2.97Å; S39-Q58 PolarHBondContact O-N 2.69Å; S39-Q58 WeakPolarHBondContact OG-CB 3.26Å; S39-Q58 PolarHBondContact OG-OE1 3.16Å
59	L	95.5	Very high	90.5	Very high	46 Å²	46	74.8 Å²	74.8	24%	0.241	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	154.9	176.1	-53.9	-176	0	0	0	110.1	V17 L19 F35 S38 R61 A63	V17-L59 HydrophobicContact CB-CD2 3.83Å; V17-L59 HydrophobicContact CG1-CD2 3.99Å; V17-L59 HydrophobicContact CG2-CD2 3.89Å; L19-L59 HydrophobicContact CD1-CD1 4.39Å; F35-L59 HydrophobicContact CB-CB 4.29Å; F35-L59 HydrophobicContact CB-CD2 3.95Å; F35-L59 HydrophobicContact CB-CG 4.47Å; F35-L59 HydrophobicContact CD1-CB 4.18Å; F35-L59 HydrophobicContact CD1-CD1 4.09Å; F35-L59 HydrophobicContact CD2-CD1 4.17Å; F35-L59 HydrophobicContact CE1-CD1 4.36Å; F35-L59 HydrophobicContact CE2-CD1 4.44Å; F35-L59 HydrophobicContact CG-CB 4.36Å; F35-L59 HydrophobicContact CG-CD1 4Å; F35-L59 HydrophobicContact CG-CD2 4.29Å; F35-L59 HydrophobicContact CG-CG 4.44Å; S38-L59 VanDerWaalsContact OG-C 3.31Å; S38-L59 PolarHBondContact OG-O 2.93Å; L59-R61 VanDerWaalsContact CB-O 3.25Å; L59-R61 WeakPolarHBondContact CB-O 3.41Å; L59-R61 PolarHBondContact O-N 2.72Å; L59-A63 HydrophobicContact CD1-CB 4.29Å
60	D	95.5	Very high	91.3	Very high	72 Å²	72	76.1 Å²	76.1	39%	0.385	41%	0.412	S	S	.	.	S	Bend	trans	-64.2	-22.8	174	65.6	-57	0	0	0	113.4	F35 S36	F35-D60 VanDerWaalsContact CA-OD1 3.31Å; F35-D60 WeakPolarHBondContact CA-OD1 3.32Å; F35-D60 VanDerWaalsContact CB-OD1 3.31Å; F35-D60 WeakPolarHBondContact CB-OD1 3.49Å; S36-D60 PolarHBondContact N-OD1 2.92Å; S36-D60 PolarHBondContact O-N 3.37Å
61	R	96.8	Very high	92.1	Very high	123 Å²	123	77.6 Å²	77.6	46%	0.464	42%	0.418	S	S	.	.	S	Bend	trans	-155.8	164.8	176.3	66.8	-167.1	-173.9	-75.1	-8.1	110.5	T34 F35 L59	T34-R61 PolarHBondContact O-NH1 2.87Å; T34-R61 PolarHBondContact O-NH2 3.05Å; F35-R61 HydrophobicContact CD1-CG 3.83Å; F35-R61 HydrophobicContact CE1-CG 3.78Å; L59-R61 VanDerWaalsContact CB-O 3.25Å; L59-R61 WeakPolarHBondContact CB-O 3.41Å; L59-R61 PolarHBondContact O-N 2.72Å
62	E	97.3	Very high	92.4	Very high	187 Å²	187	79.5 Å²	79.5	87%	0.874	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.5	144.3	176	-65.3	-175	175.5	0	0	112
63	A	96.9	Very high	92.7	Very high	28 Å²	28	82.7 Å²	82.7	23%	0.231	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-86.5	138.6	175.6	0	0	0	0	0	110.9	L19 F35 L59 L65	L19-A63 HydrophobicContact CD1-CB 3.66Å; F35-A63 HydrophobicContact CE1-CB 4.25Å; F35-A63 HydrophobicContact CE2-CB 4.15Å; F35-A63 HydrophobicContact CZ-CB 3.61Å; L59-A63 HydrophobicContact CD1-CB 4.29Å; A63-L65 PolarHBondContact O-N 2.95Å
64	N	96.8	Very high	92.8	Very high	120 Å²	120	86.5 Å²	86.5	64%	0.642	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-74.6	120.5	171.8	-92.1	-10.2	0	0	0	109.5	Q33	Q33-N64 PolarHBondContact NE2-O 3.34Å
65	L	96.7	Very high	92.8	Very high	110 Å²	110	88.1 Å²	88.1	58%	0.576	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-72.9	131.4	172.6	-55.7	-175.8	0	0	0	109.6	A63 V69 I71	A63-L65 PolarHBondContact O-N 2.95Å; L65-V69 WeakPolarHBondContact CA-O 3.45Å; L65-V69 HydrophobicContact CD2-CG1 4.43Å; L65-I71 HydrophobicContact CD1-CD1 4.04Å; L65-I71 HydrophobicContact CD1-CG1 4.31Å; L65-I71 HydrophobicContact CD2-CD1 4.32Å; L65-I71 HydrophobicContact CD2-CG1 3.92Å
66	T	95.1	Very high	92.7	Very high	59 Å²	59	94.6 Å²	94.6	36%	0.362	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-144.2	178.2	-175.8	64.8	0	0	0	0	109.6	S68 V69	T66-S68 PolarHBondContact O-N 3.41Å; T66-S68 PolarHBondContact OG1-N 3.09Å; T66-V69 PolarHBondContact N-O 2.91Å; T66-V69 CarbonylContact O-C 3.6Å; T66-V69 PolarHBondContact O-N 3.07Å; T66-V69 VanDerWaalsContact O-N 3.13Å; T66-V69 PolarHBondContact OG1-N 2.87Å
67	S	93.6	Very high	92.1	Very high	132 Å²	132	98.8 Å²	98.8	92%	0.923	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.8	170.6	57.9	0	0	0	0	113.8
68	S	93.2	Very high	91.5	Very high	66 Å²	66	103.8 Å²	103.8	46%	0.462	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	-5.3	179.2	-55.6	0	0	0	0	113.8	T66	T66-S68 PolarHBondContact O-N 3.41Å; T66-S68 PolarHBondContact OG1-N 3.09Å
69	V	94.8	Very high	90.7	Very high	12 Å²	12	101 Å²	101	7%	0.073	56%	0.562	C	S	.	*	B	Isolated β-bridge	trans	-138.3	108.7	-177.7	-178.6	0	0	0	0	108.8	L19 L65 T66	L19-V69 HydrophobicContact CB-CG1 4.18Å; L19-V69 HydrophobicContact CB-CG2 3.96Å; L19-V69 HydrophobicContact CD1-CG1 4.03Å; L65-V69 WeakPolarHBondContact CA-O 3.45Å; L65-V69 HydrophobicContact CD2-CG1 4.43Å; T66-V69 PolarHBondContact N-O 2.91Å; T66-V69 CarbonylContact O-C 3.6Å; T66-V69 PolarHBondContact O-N 3.07Å; T66-V69 VanDerWaalsContact O-N 3.13Å; T66-V69 PolarHBondContact OG1-N 2.87Å
70	T	94.1	Very high	89.9	Confident	114 Å²	114	104.5 Å²	104.5	70%	0.699	59%	0.585	S	S	*	*			trans	-131.9	157	178.6	-170.7	0	0	0	0	110.8
71	I	92.5	Very high	89.2	Confident	122 Å²	122	104.8 Å²	104.8	63%	0.626	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-82	137.8	172.5	-59.2	173.7	0	0	0	108.4	L65	L65-I71 HydrophobicContact CD1-CD1 4.04Å; L65-I71 HydrophobicContact CD1-CG1 4.31Å; L65-I71 HydrophobicContact CD2-CD1 4.32Å; L65-I71 HydrophobicContact CD2-CG1 3.92Å
72	L	87.6	Confident	88.5	Confident	79 Å²	79	105.4 Å²	105.4	41%	0.414	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-99	124.9	169.5	-68.8	173.2	0	0	0	108.7	N136	L72-N136 WeakPolarHBondContact CD1-ND2 3.45Å
73	P	87.5	Confident	87.9	Confident	112 Å²	112	99.1 Å²	99.1	73%	0.727	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.3	176.7	28	-33.3	0	0	0	109.5
74	L	84.9	Confident	87.3	Confident	113 Å²	113	100.2 Å²	100.2	59%	0.592	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-78.6	145.3	171.2	-64.8	179.6	0	0	0	109.4	M1	M1-L74 HydrophobicContact CE-CD1 3.77Å; M1-L74 HydrophobicContact CE-CD2 3.69Å; M1-L74 HydrophobicContact CE-CG 4.41Å; M1-L74 HydrophobicContact SD-CD2 4.26Å
75	P	84.6	Confident	86.7	Confident	96 Å²	96	96.1 Å²	96.1	62%	0.623	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.1	157.2	172.3	28.7	-34.7	0	0	0	110.3	A79	P75-A79 HydrophobicContact CB-CB 4.12Å
76	L	84.9	Confident	86.2	Confident	149 Å²	149	101 Å²	101	78%	0.78	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-60.3	153.6	169.9	-65.9	173.4	0	0	0	110.1	N78 A79	L76-N78 PolarHBondContact O-N 2.92Å; L76-A79 HydrophobicContact CB-CB 4.36Å; L76-A79 WeakPolarHBondContact O-CB 3.38Å; L76-A79 PolarHBondContact O-N 2.88Å
77	Q	80.8	Confident	85.6	Confident	176 Å²	176	99.6 Å²	99.6	82%	0.822	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	134.2	175.1	-172.5	176.6	15.6	0	0	110.1	A79	Q77-A79 PolarHBondContact O-N 3.31Å; Q77-A79 VanDerWaalsContact O-N 3.15Å
78	N	77.5	Confident	85.2	Confident	145 Å²	145	96 Å²	96	78%	0.775	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	13.6	-178.4	-51.4	-28.3	0	0	0	115.1	L76 T80	L76-N78 PolarHBondContact O-N 2.92Å; N78-T80 PolarHBondContact O-N 3.34Å
79	A	79.1	Confident	84.7	Confident	61 Å²	61	95.4 Å²	95.4	50%	0.504	54%	0.536	S	S	.	.			trans	-64.3	132	171	0	0	0	0	0	110.1	P75 L76 Q77	P75-A79 HydrophobicContact CB-CB 4.12Å; L76-A79 HydrophobicContact CB-CB 4.36Å; L76-A79 WeakPolarHBondContact O-CB 3.38Å; L76-A79 PolarHBondContact O-N 2.88Å; Q77-A79 PolarHBondContact O-N 3.31Å; Q77-A79 VanDerWaalsContact O-N 3.15Å
80	T	77	Confident	84.3	Confident	118 Å²	118	95.9 Å²	95.9	72%	0.724	54%	0.541	S	S	*	.			trans	-102.2	157	177.5	53.7	0	0	0	0	110.5	N78	N78-T80 PolarHBondContact O-N 3.34Å
81	V	81.4	Confident	84	Confident	78 Å²	78	91.7 Å²	91.7	47%	0.473	52%	0.52	S	S	.	.			trans	-112.7	124.2	172.4	-173.2	0	0	0	0	107.7	T85 V112	V81-T85 HydrophobicContact CG1-CG2 3.64Å; V81-V112 HydrophobicContact CB-CG2 4.4Å; V81-V112 HydrophobicContact CG1-CG2 3.8Å
82	E	83.1	Confident	83.8	Confident	137 Å²	137	89.7 Å²	89.7	64%	0.64	51%	0.505	S	S	*	.			trans	-62.7	144.9	-177	-67.1	-60.4	151.4	0	0	112.3	T85	E82-T85 WeakPolarHBondContact O-CB 3.06Å; E82-T85 PolarHBondContact O-N 3.23Å; E82-T85 VanDerWaalsContact O-N 3.13Å; E82-T85 PolarHBondContact O-OG1 2.79Å
83	A	84.1	Confident	83.6	Confident	54 Å²	54	88.2 Å²	88.2	45%	0.446	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	145.1	171.6	0	0	0	0	0	111	T85 P114	A83-T85 PolarHBondContact O-N 2.86Å; A83-P114 HydrophobicContact CB-CB 4.46Å; A83-P114 HydrophobicContact CB-CG 3.77Å
84	G	83.6	Confident	83.2	Confident	51 Å²	51	85.2 Å²	85.2	53%	0.526	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-7.8	-172.7	0	0	0	0	0	114.3	R86 V112	G84-R86 PolarHBondContact O-N 3.22Å; G84-V112 PolarHBondContact N-O 2.8Å
85	T	84.8	Confident	82.5	Confident	35 Å²	35	87.2 Å²	87.2	22%	0.215	50%	0.496	C	S	.	.			trans	-63	129.1	173.7	-59.6	0	0	0	0	110.1	V81 E82 A83 T111 V112	V81-T85 HydrophobicContact CG1-CG2 3.64Å; E82-T85 WeakPolarHBondContact O-CB 3.06Å; E82-T85 PolarHBondContact O-N 3.23Å; E82-T85 VanDerWaalsContact O-N 3.13Å; E82-T85 PolarHBondContact O-OG1 2.79Å; A83-T85 PolarHBondContact O-N 2.86Å; T85-T111 CarbonylContact O-C 3.46Å; T85-T111 WeakPolarHBondContact O-CA 3.31Å; T85-V112 PolarHBondContact O-N 3.22Å
86	R	85.9	Confident	82.1	Confident	211 Å²	211	92.3 Å²	92.3	80%	0.796	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.7	175.2	-65.4	179.2	-179.7	174.7	-0.2	109.4	G84 V110	G84-R86 PolarHBondContact O-N 3.22Å; R86-V110 CarbonylContact C-O 3.58Å; R86-V110 WeakPolarHBondContact CA-O 3.45Å
87	C	83.5	Confident	81.2	Confident	30 Å²	30	91.6 Å²	91.6	20%	0.203	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	163.8	174.9	-55.9	0	0	0	0	109.8	N109 V110	C87-N109 WeakPolarHBondContact O-CA 3.31Å; C87-V110 HydrophobicContact CB-CG2 3.78Å; C87-V110 PolarHBondContact N-O 2.93Å; C87-V110 PolarHBondContact O-N 2.79Å; C87-V110 VanDerWaalsContact O-O 3.13Å
88	Q	84.1	Confident	80.8	Confident	57 Å²	57	87.2 Å²	87.2	27%	0.266	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140	173.7	-170.2	167.8	82.1	0	0	109.7	F107 V108 N109 V137 S138	Q88-F107 HydrophobicContact CG-CB 4.06Å; Q88-F107 HydrophobicContact CG-CD1 3.99Å; Q88-V108 WeakPolarHBondContact CA-O 3.49Å; Q88-N109 PolarHBondContact NE2-OD1 2.88Å; Q88-V137 VanDerWaalsContact O-O 3.07Å; Q88-S138 PolarHBondContact OE1-O 2.78Å
89	V	83.1	Confident	80.8	Confident	54 Å²	54	82 Å²	82	33%	0.327	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.9	172.2	-177.1	0	0	0	0	107.4	F107 V108 V110 C135	V89-F107 CarbonylContact O-C 3.49Å; V89-F107 WeakPolarHBondContact O-CA 3.35Å; V89-V108 PolarHBondContact N-O 3.22Å; V89-V108 PolarHBondContact O-N 2.99Å; V89-V110 HydrophobicContact CG2-CG1 4.26Å; V89-V110 HydrophobicContact CG2-CG2 4.02Å; V89-C135 HydrophobicContact CG2-CB 4.2Å
90	A	86.1	Confident	81.1	Confident	22 Å²	22	89.1 Å²	89.1	18%	0.182	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.3	177.4	0	0	0	0	0	112.5	R106 F107 V137	A90-R106 WeakPolarHBondContact CA-O 3.16Å; A90-F107 HydrophobicContact CB-CD1 3.39Å; A90-F107 HydrophobicContact CB-CE1 3.41Å; A90-F107 VanDerWaalsContact CB-CE1 3.41Å; A90-F107 HydrophobicContact CB-CG 4.25Å; A90-F107 HydrophobicContact CB-CZ 4.25Å; A90-V137 HydrophobicContact CB-CB 3.68Å; A90-V137 HydrophobicContact CB-CG1 3.5Å; A90-V137 HydrophobicContact CB-CG2 4.08Å
91	G	87	Confident	81.4	Confident	26 Å²	26	89 Å²	89	27%	0.268	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	176.8	172.6	0	0	0	0	0	113.9	P105 R106	G91-P105 WeakPolarHBondContact O-CA 3.26Å; G91-R106 PolarHBondContact N-O 3.02Å; G91-R106 PolarHBondContact O-N 2.82Å
92	W	89.4	Confident	81.8	Confident	80 Å²	80	86 Å²	86	30%	0.303	48%	0.484	S	S	.	.			trans	-101.8	11.8	178.9	-67	-96	0	0	0	113.5	A21 Y22 L24 L101 S102 F104 P105	A21-W92 WeakPolarHBondContact O-CH2 3.07Å; A21-W92 WeakPolarHBondContact O-CZ2 3.4Å; Y22-W92 PolarHBondContact O-NE1 3.41Å; Y22-W92 VanDerWaalsContact O-NE1 3.12Å; L24-W92 HydrophobicContact CD1-CB 3.55Å; L24-W92 VanDerWaalsContact CD1-CD1 3.41Å; L24-W92 HydrophobicContact CD1-CD2 4.26Å; L24-W92 HydrophobicContact CD1-CG 3.47Å; L24-W92 VanDerWaalsContact CD1-CG 3.47Å; L24-W92 HydrophobicContact CD2-CD2 4.38Å; L24-W92 HydrophobicContact CD2-CG 4.36Å; L24-W92 HydrophobicContact CG-CB 4.45Å; L24-W92 VanDerWaalsContact CG-CD1 3.4Å; L24-W92 HydrophobicContact CG-CD2 4.33Å; L24-W92 HydrophobicContact CG-CG 3.85Å; W92-L101 WeakPolarHBondContact O-CA 3.5Å; W92-L101 WeakPolarHBondContact O-CD2 3.35Å; W92-S102 PolarHBondContact O-N 3.27Å; W92-F104 VanDerWaalsContact CD1-C 3.43Å; W92-P105 HydrophobicContact CD2-CB 4.15Å; W92-P105 HydrophobicContact CH2-CB 4.23Å; W92-P105 HydrophobicContact CZ2-CB 3.74Å; W92-P105 HydrophobicContact CZ2-CG 3.87Å; W92-P105 VanDerWaalsContact NE1-CD 3.3Å; W92-P105 VanDerWaalsContact NE1-N 3.16Å
93	G	82.6	Confident	82.2	Confident	47 Å²	47	84 Å²	84	49%	0.485	47%	0.471	S	S	.	.			trans	-56.6	158.3	-177.5	0	0	0	0	0	114.1
94	S	78.9	Confident	82.5	Confident	49 Å²	49	85.1 Å²	85.1	34%	0.343	47%	0.466	S	S	.	.			trans	-74.4	149.7	174.6	63.3	0	0	0	0	111.1	R96 G99 R100	S94-R96 VanDerWaalsContact C-N 3.32Å; S94-R96 WeakPolarHBondContact CB-O 3.33Å; S94-R96 PolarHBondContact OG-O 2.75Å; S94-G99 VanDerWaalsContact CB-O 3.32Å; S94-G99 WeakPolarHBondContact CB-O 3.49Å; S94-R100 WeakPolarHBondContact CB-O 3.43Å
95	Q	71.8	Confident	82.8	Confident	155 Å²	155	83.5 Å²	83.5	72%	0.724	45%	0.446	S	S	*	.	S	Bend	trans	-79.4	-17.9	172.8	-81.9	167.5	-14.4	0	0	113.1	R106	Q95-R106 VanDerWaalsContact CG-NH1 3.31Å; Q95-R106 VanDerWaalsContact NE2-CZ 3.32Å
96	R	74.9	Confident	82.9	Confident	204 Å²	204	86.8 Å²	86.8	77%	0.77	45%	0.454	S	S	*	.	S	Bend	trans	-123.4	144.8	-178.8	-71.2	-178.6	152.9	-174.2	-7.3	108.7	S94 G98 G99	S94-R96 VanDerWaalsContact C-N 3.32Å; S94-R96 WeakPolarHBondContact CB-O 3.33Å; S94-R96 PolarHBondContact OG-O 2.75Å; R96-G98 PolarHBondContact O-N 2.8Å; R96-G99 WeakPolarHBondContact O-CA 3.39Å; R96-G99 PolarHBondContact O-N 3.45Å
97	S	67.5	Low	83	Confident	133 Å²	133	81.5 Å²	81.5	93%	0.93	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	132	169.5	-171.2	0	0	0	0	109.6	G99	S97-G99 PolarHBondContact O-N 2.92Å; S97-G99 VanDerWaalsContact O-N 3.16Å
98	G	71	Confident	83	Confident	85 Å²	85	84.3 Å²	84.3	88%	0.876	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	6.8	-174.6	0	0	0	0	0	115.6	R96	R96-G98 PolarHBondContact O-N 2.8Å
99	G	78.1	Confident	83.1	Confident	35 Å²	35	87.6 Å²	87.6	36%	0.361	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-75	167.4	179.6	0	0	0	0	0	113.5	S94 R96 S97	S94-G99 VanDerWaalsContact CB-O 3.32Å; S94-G99 WeakPolarHBondContact CB-O 3.49Å; R96-G99 WeakPolarHBondContact O-CA 3.39Å; R96-G99 PolarHBondContact O-N 3.45Å; S97-G99 PolarHBondContact O-N 2.92Å; S97-G99 VanDerWaalsContact O-N 3.16Å
100	R	84.1	Confident	83.1	Confident	210 Å²	210	87.8 Å²	87.8	79%	0.792	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-71.2	145.3	175.4	-62.7	176.6	71.7	178.3	6.1	111	S94	S94-R100 WeakPolarHBondContact CB-O 3.43Å
101	L	84.9	Confident	82.9	Confident	117 Å²	117	90.4 Å²	90.4	61%	0.613	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.3	170.5	-63.4	177.6	0	0	0	111.2	W92	W92-L101 WeakPolarHBondContact O-CA 3.5Å; W92-L101 WeakPolarHBondContact O-CD2 3.35Å
102	S	88.8	Confident	82.7	Confident	15 Å²	15	90.7 Å²	90.7	11%	0.105	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-67.9	144.1	172.5	-174.1	0	0	0	0	110.3	W92 F104 R106	W92-S102 PolarHBondContact O-N 3.27Å; S102-F104 VanDerWaalsContact CB-O 3.32Å; S102-F104 WeakPolarHBondContact CB-O 3.43Å; S102-F104 PolarHBondContact OG-O 3.16Å; S102-R106 PolarHBondContact OG-NE 3.18Å
103	R	91.6	Very high	82.2	Confident	93 Å²	93	90.1 Å²	90.1	35%	0.351	49%	0.49	S	S	.	.	S	Bend	trans	-67.2	-44.8	175.2	177.4	179.7	-179.8	-169	-5.3	111.8	D23 L24 R25	D23-R103 VanDerWaalsContact CG-NE 3.33Å; D23-R103 WeakPolarHBondContact OD1-CG 3.4Å; D23-R103 IonicContact OD1-CZ 3.98Å; D23-R103 IonicContact OD1-NE 3.01Å; D23-R103 PolarHBondContact OD1-NE 2.83Å; D23-R103 IonicContact OD2-CZ 3.23Å; D23-R103 VanDerWaalsContact OD2-CZ 3.23Å; D23-R103 IonicContact OD2-NE 2.97Å; D23-R103 PolarHBondContact OD2-NE 3.4Å; D23-R103 IonicContact OD2-NH2 2.69Å; D23-R103 PolarHBondContact OD2-NH2 3.47Å; L24-R103 PolarHBondContact N-O 3.36Å; R25-R103 HydrophobicContact CB-CG 4.38Å; R25-R103 HydrophobicContact CG-CG 3.98Å
104	F	91.6	Very high	82.1	Confident	78 Å²	78	90 Å²	90	34%	0.342	48%	0.48	S	S	.	.	S	Bend	trans	-110.8	153.1	-179.7	-56.8	-69.1	0	0	0	109.8	Y22 D23 W92 S102	Y22-F104 AromaticContact CD1-CD1 3.71Å; Y22-F104 HydrophobicContact CD1-CD1 3.71Å; Y22-F104 HydrophobicContact CD1-CE1 4.18Å; Y22-F104 HydrophobicContact CE1-CB 4.46Å; Y22-F104 AromaticContact CE1-CD1 3.46Å; Y22-F104 HydrophobicContact CE1-CD1 3.46Å; Y22-F104 VanDerWaalsContact CE1-CD1 3.46Å; Y22-F104 AromaticContact CE1-CE1 3.98Å; Y22-F104 HydrophobicContact CE1-CE1 3.98Å; Y22-F104 HydrophobicContact CE1-CG 4.23Å; D23-F104 HydrophobicContact CB-CD1 4.07Å; D23-F104 HydrophobicContact CB-CE1 3.71Å; W92-F104 VanDerWaalsContact CD1-C 3.43Å; S102-F104 VanDerWaalsContact CB-O 3.32Å; S102-F104 WeakPolarHBondContact CB-O 3.43Å; S102-F104 PolarHBondContact OG-O 3.16Å
105	P	89.4	Confident	81.8	Confident	17 Å²	17	92.3 Å²	92.3	11%	0.11	49%	0.486	C	S	.	.			trans	-63.3	142.1	176	28.3	-34.4	0	0	0	109	Y22 G91 W92 F107	Y22-P105 HydrophobicContact CD2-CG 3.58Å; Y22-P105 HydrophobicContact CE2-CG 3.62Å; Y22-P105 HydrophobicContact CG-CG 4.5Å; Y22-P105 WeakPolarHBondContact O-CD 3.39Å; G91-P105 WeakPolarHBondContact O-CA 3.26Å; W92-P105 HydrophobicContact CD2-CB 4.15Å; W92-P105 HydrophobicContact CH2-CB 4.23Å; W92-P105 HydrophobicContact CZ2-CB 3.74Å; W92-P105 HydrophobicContact CZ2-CG 3.87Å; W92-P105 VanDerWaalsContact NE1-CD 3.3Å; W92-P105 VanDerWaalsContact NE1-N 3.16Å; P105-F107 HydrophobicContact CB-CE2 4.44Å; P105-F107 HydrophobicContact CG-CE2 4.31Å; P105-F107 HydrophobicContact CG-CZ 4.45Å
106	R	86.8	Confident	82	Confident	105 Å²	105	91.5 Å²	91.5	40%	0.396	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	149.8	172.2	-68.1	177	172.1	157.2	-10.1	108.7	A90 G91 Q95 S102	A90-R106 WeakPolarHBondContact CA-O 3.16Å; G91-R106 PolarHBondContact N-O 3.02Å; G91-R106 PolarHBondContact O-N 2.82Å; Q95-R106 VanDerWaalsContact CG-NH1 3.31Å; Q95-R106 VanDerWaalsContact NE2-CZ 3.32Å; S102-R106 PolarHBondContact OG-NE 3.18Å
107	F	87.5	Confident	82.1	Confident	100 Å²	100	87.1 Å²	87.1	44%	0.439	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136	179.1	-59.8	-91.9	0	0	0	109	Q88 V89 A90 P105	Q88-F107 HydrophobicContact CG-CB 4.06Å; Q88-F107 HydrophobicContact CG-CD1 3.99Å; V89-F107 CarbonylContact O-C 3.49Å; V89-F107 WeakPolarHBondContact O-CA 3.35Å; A90-F107 HydrophobicContact CB-CD1 3.39Å; A90-F107 HydrophobicContact CB-CE1 3.41Å; A90-F107 VanDerWaalsContact CB-CE1 3.41Å; A90-F107 HydrophobicContact CB-CG 4.25Å; A90-F107 HydrophobicContact CB-CZ 4.25Å; P105-F107 HydrophobicContact CB-CE2 4.44Å; P105-F107 HydrophobicContact CG-CE2 4.31Å; P105-F107 HydrophobicContact CG-CZ 4.45Å
108	V	84.8	Confident	82.4	Confident	88 Å²	88	82.8 Å²	82.8	53%	0.533	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	175.1	-178.6	0	0	0	0	107.7	Q88 V89 V110	Q88-V108 WeakPolarHBondContact CA-O 3.49Å; V89-V108 PolarHBondContact N-O 3.22Å; V89-V108 PolarHBondContact O-N 2.99Å; V108-V110 HydrophobicContact CG1-CG1 4.13Å
109	N	85.8	Confident	82.2	Confident	126 Å²	126	87.6 Å²	87.6	67%	0.674	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	127.6	171.8	-64.1	-29	0	0	0	108.4	C87 Q88	C87-N109 WeakPolarHBondContact O-CA 3.31Å; Q88-N109 PolarHBondContact NE2-OD1 2.88Å
110	V	82.8	Confident	81.3	Confident	58 Å²	58	92.2 Å²	92.2	35%	0.352	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	157.1	177.5	-59.2	0	0	0	0	109	R86 C87 V89 V108	R86-V110 CarbonylContact C-O 3.58Å; R86-V110 WeakPolarHBondContact CA-O 3.45Å; C87-V110 HydrophobicContact CB-CG2 3.78Å; C87-V110 PolarHBondContact N-O 2.93Å; C87-V110 PolarHBondContact O-N 2.79Å; C87-V110 VanDerWaalsContact O-O 3.13Å; V89-V110 HydrophobicContact CG2-CG1 4.26Å; V89-V110 HydrophobicContact CG2-CG2 4.02Å; V108-V110 HydrophobicContact CG1-CG1 4.13Å
111	T	82.5	Confident	79.9	Confident	77 Å²	77	89.8 Å²	89.8	47%	0.472	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.5	178.3	-55.3	0	0	0	0	108.8	T85 T113	T85-T111 CarbonylContact O-C 3.46Å; T85-T111 WeakPolarHBondContact O-CA 3.31Å; T111-T113 PolarHBondContact O-N 3.26Å
112	V	82.3	Confident	78.6	Confident	33 Å²	33	87.9 Å²	87.9	20%	0.2	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-62.4	123.5	175	179.8	0	0	0	0	108.2	V81 G84 T85	V81-V112 HydrophobicContact CB-CG2 4.4Å; V81-V112 HydrophobicContact CG1-CG2 3.8Å; G84-V112 PolarHBondContact N-O 2.8Å; T85-V112 PolarHBondContact O-N 3.22Å
113	T	79.5	Confident	77.1	Confident	68 Å²	68	92.7 Å²	92.7	42%	0.417	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-96.6	145	179	-59.4	0	0	0	0	108.4	T111 Q117	T111-T113 PolarHBondContact O-N 3.26Å; T113-Q117 HydrophobicContact CG2-CB 3.66Å
114	P	79.5	Confident	75.5	Confident	44 Å²	44	91 Å²	91	29%	0.286	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-51.4	146.2	169.9	-28.5	37.6	0	0	0	112.4	A83 D116 Q117 C118	A83-P114 HydrophobicContact CB-CB 4.46Å; A83-P114 HydrophobicContact CB-CG 3.77Å; P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 WeakPolarHBondContact CB-OD1 3.31Å; P114-D116 PolarHBondContact O-N 3.49Å; P114-Q117 HydrophobicContact CB-CB 4.39Å; P114-Q117 HydrophobicContact CB-CG 4.34Å; P114-Q117 PolarHBondContact O-N 3.1Å; P114-C118 PolarHBondContact O-N 2.82Å
115	E	72.3	Confident	73.8	Confident	98 Å²	98	91.4 Å²	91.4	46%	0.458	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-62.7	-39	-175	179.9	161.2	-122.2	0	0	112.9	Q117 C118 G126 L128	E115-Q117 PolarHBondContact O-N 2.77Å; E115-C118 WeakPolarHBondContact O-CB 3.25Å; E115-C118 PolarHBondContact O-N 3.3Å; E115-C118 VanDerWaalsContact O-N 3.11Å; E115-G126 WeakPolarHBondContact OE1-CA 3.4Å; E115-L128 VanDerWaalsContact CD-CG 3.48Å; E115-L128 HydrophobicContact CG-CD1 3.5Å; E115-L128 HydrophobicContact CG-CG 4.2Å; E115-L128 WeakPolarHBondContact OE1-CD1 3.31Å; E115-L128 WeakPolarHBondContact OE1-CG 3.43Å
116	D	76.7	Confident	71.7	Confident	137 Å²	137	91.7 Å²	91.7	73%	0.733	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.4	175.6	66.4	-34	0	0	0	113.5	P114	P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 WeakPolarHBondContact CB-OD1 3.31Å; P114-D116 PolarHBondContact O-N 3.49Å
117	Q	77.4	Confident	69.7	Low	112 Å²	112	93 Å²	93	52%	0.523	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-100.9	4.8	178.7	-66.9	175	37.3	0	0	112.6	T113 P114 E115 R119	T113-Q117 HydrophobicContact CG2-CB 3.66Å; P114-Q117 HydrophobicContact CB-CB 4.39Å; P114-Q117 HydrophobicContact CB-CG 4.34Å; P114-Q117 PolarHBondContact O-N 3.1Å; E115-Q117 PolarHBondContact O-N 2.77Å; Q117-R119 PolarHBondContact O-N 2.84Å; Q117-R119 VanDerWaalsContact O-N 3.14Å
118	C	73.1	Confident	67.4	Low	42 Å²	42	94.5 Å²	94.5	28%	0.284	53%	0.529	S	S	.	.			trans	-76.5	105.5	178.9	-147	0	0	0	0	111.7	P114 E115 C124	P114-C118 PolarHBondContact O-N 2.82Å; E115-C118 WeakPolarHBondContact O-CB 3.25Å; E115-C118 PolarHBondContact O-N 3.3Å; E115-C118 VanDerWaalsContact O-N 3.11Å; C118-C124 HydrophobicContact CB-CB 4Å; C118-C124 WeakPolarHBondContact CB-SG 3.49Å; C118-C124 WeakPolarHBondContact SG-CA 3.29Å; C118-C124 WeakPolarHBondContact SG-CB 3.29Å; C118-C124 CovalentContact SG-SG 2.01Å; C118-C124 PolarHBondContact SG-SG 2.91Å
119	R	67.6	Low	65.3	Low	186 Å²	186	94.1 Å²	94.1	70%	0.702	53%	0.527	S	S	*	.			trans	-78.4	156.7	176.8	-63	-173.4	-179.8	-160.2	-0.3	110.8	Q117 N121 N122	Q117-R119 PolarHBondContact O-N 2.84Å; Q117-R119 VanDerWaalsContact O-N 3.14Å; R119-N121 PolarHBondContact O-N 3.32Å; R119-N122 WeakPolarHBondContact O-CB 3.33Å; R119-N122 PolarHBondContact O-N 2.96Å
120	P	58.7	Low	63.2	Low	132 Å²	132	97.2 Å²	97.2	86%	0.857	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.6	179.9	-26.3	33.9	0	0	0	115.4
121	N	53.8	Low	61.3	Low	160 Å²	160	100.2 Å²	100.2	86%	0.856	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.3	-179.6	-62.5	-21.8	0	0	0	113.5	R119	R119-N121 PolarHBondContact O-N 3.32Å
122	N	58.6	Low	59.2	Low	76 Å²	76	98.5 Å²	98.5	41%	0.406	53%	0.532	S	S	.	.	S	Bend	trans	-91	154.1	175.5	-68.5	-10.4	0	0	0	110.1	R119 C124	R119-N122 WeakPolarHBondContact O-CB 3.33Å; R119-N122 PolarHBondContact O-N 2.96Å; N122-C124 PolarHBondContact O-N 2.79Å
123	V	56.8	Low	57.3	Low	117 Å²	117	98.8 Å²	98.8	71%	0.709	54%	0.542	S	S	*	.			trans	-73.8	95.9	165.3	-178.7	0	0	0	0	107.4
124	C	58.9	Low	55.5	Low	57 Å²	57	100.9 Å²	100.9	39%	0.385	55%	0.549	S	S	.	.			trans	-87.2	116.6	178.9	-58.2	0	0	0	0	110	C118 N122 G126	C118-C124 HydrophobicContact CB-CB 4Å; C118-C124 WeakPolarHBondContact CB-SG 3.49Å; C118-C124 WeakPolarHBondContact SG-CA 3.29Å; C118-C124 WeakPolarHBondContact SG-CB 3.29Å; C118-C124 CovalentContact SG-SG 2.01Å; C118-C124 PolarHBondContact SG-SG 2.91Å; N122-C124 PolarHBondContact O-N 2.79Å; C124-G126 VanDerWaalsContact C-N 3.3Å
125	T	55.7	Low	53.4	Low	86 Å²	86	102.6 Å²	102.6	53%	0.528	56%	0.561	S	S	.	*			trans	-93	11.4	174.2	60.9	0	0	0	0	112.6	V127	T125-V127 PolarHBondContact O-N 3.03Å
126	G	45.7	Very low	51.6	Low	24 Å²	24	101.7 Å²	101.7	25%	0.247	56%	0.559	C	S	.	*			trans	-64.6	122.5	-179	0	0	0	0	0	111.5	E115 C124 L128	E115-G126 WeakPolarHBondContact OE1-CA 3.4Å; C124-G126 VanDerWaalsContact C-N 3.3Å; G126-L128 PolarHBondContact O-N 2.89Å
127	V	42.8	Very low	49.4	Very low	131 Å²	131	97.8 Å²	97.8	79%	0.794	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	39	172.7	-164.3	0	0	0	0	109.9	T125 T129	T125-V127 PolarHBondContact O-N 3.03Å; V127-T129 PolarHBondContact O-N 2.88Å
128	L	40.6	Very low	47.3	Very low	132 Å²	132	94.9 Å²	94.9	69%	0.691	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.3	172.6	-79.7	165.9	0	0	0	111.6	E115 G126	E115-L128 VanDerWaalsContact CD-CG 3.48Å; E115-L128 HydrophobicContact CG-CD1 3.5Å; E115-L128 HydrophobicContact CG-CG 4.2Å; E115-L128 WeakPolarHBondContact OE1-CD1 3.31Å; E115-L128 WeakPolarHBondContact OE1-CG 3.43Å; G126-L128 PolarHBondContact O-N 2.89Å
129	T	39.5	Very low	45.3	Very low	80 Å²	80	96 Å²	96	49%	0.491	55%	0.545	S	S	.	.	S	Bend	trans	-144.9	167.7	166.7	51.3	0	0	0	0	106.6	V127 R131	V127-T129 PolarHBondContact O-N 2.88Å; T129-R131 PolarHBondContact O-N 2.96Å; T129-R131 WeakPolarHBondContact OG1-CD 3.18Å
130	R	42.1	Very low	43.7	Very low	192 Å²	192	93 Å²	93	73%	0.725	55%	0.549	S	S	*	.	S	Bend	trans	-66.5	44.6	-179.2	-60.6	178.6	-178.4	179	-0.6	114.1	L51 N52	L51-R130 WeakPolarHBondContact CA-O 3.36Å; L51-R130 HydrophobicContact CD2-CB 4.07Å; L51-R130 WeakPolarHBondContact CD2-O 3.26Å; N52-R130 PolarHBondContact N-O 2.66Å
131	R	43.8	Very low	42.5	Very low	121 Å²	121	90.2 Å²	90.2	46%	0.457	53%	0.532	S	S	.	.			trans	-103.8	99.3	178	-66.9	-177.6	176.4	176.2	3.6	107	Q49 L51 T129	Q49-R131 PolarHBondContact O-NE 3.13Å; Q49-R131 VanDerWaalsContact OE1-NH2 3.1Å; L51-R131 HydrophobicContact CD2-CB 4.42Å; L51-R131 HydrophobicContact CD2-CG 3.37Å; T129-R131 PolarHBondContact O-N 2.96Å; T129-R131 WeakPolarHBondContact OG1-CD 3.18Å
132	G	37.9	Very low	41.6	Very low	41 Å²	41	85.8 Å²	85.8	42%	0.423	52%	0.524	S	S	.	.			trans	-128.1	120.6	179.8	0	0	0	0	0	110.3
133	G	42.4	Very low	40.3	Very low	39 Å²	39	85.5 Å²	85.5	40%	0.402	54%	0.54	S	S	.	.			trans	-113.3	125.3	157.8	0	0	0	0	0	108.1
134	I	40.9	Very low	39	Very low	111 Å²	111	91.6 Å²	91.6	57%	0.569	55%	0.55	S	S	*	.			trans	-93	117.6	174.5	-62	172.8	0	0	0	107.9	M1 N136	M1-I134 HydrophobicContact SD-CD1 4.2Å; I134-N136 HydrophobicContact CG2-CB 4.16Å
135	C	35.8	Very low	37.8	Very low	80 Å²	80	100.8 Å²	100.8	54%	0.541	58%	0.577	S	S	.	*			trans	-89	110	161.3	-64.7	0	0	0	0	108.3	V89	V89-C135 HydrophobicContact CG2-CB 4.2Å
136	N	35.8	Very low	36.5	Very low	79 Å²	79	99.6 Å²	99.6	42%	0.422	58%	0.581	S	S	.	*			trans	-129	108.4	168.4	-172.3	15.2	0	0	0	110.3	L72 I134	L72-N136 WeakPolarHBondContact CD1-ND2 3.45Å; I134-N136 HydrophobicContact CG2-CB 4.16Å
137	V	29.5	Very low	35.8	Very low	55 Å²	55	103.8 Å²	103.8	33%	0.333	60%	0.604	S	S	.	*			trans	-145.5	120.7	151.9	-166.5	0	0	0	0	111.1	Q88 A90	Q88-V137 VanDerWaalsContact O-O 3.07Å; A90-V137 HydrophobicContact CB-CB 3.68Å; A90-V137 HydrophobicContact CB-CG1 3.5Å; A90-V137 HydrophobicContact CB-CG2 4.08Å
138	S	34.2	Very low	35.2	Very low	51 Å²	51	107.1 Å²	107.1	36%	0.357	61%	0.611	S	S	.	*	S	Bend	trans	43.3	78.4	158.6	71.6	0	0	0	0	119.7	Q88	Q88-S138 PolarHBondContact OE1-O 2.78Å
139	A	30.2	Very low	34.7	Very low	66 Å²	66	111.4 Å²	111.4	55%	0.545	62%	0.618	S	S	.	*	S	Bend		-170.2	147.2	129.4	0	0	0	0	0	106.2	C141	A139-C141 PolarHBondContact O-N 3.21Å
140	P	33.4	Very low	34.7	Very low	123 Å²	123	122.3 Å²	122.3	80%	0.799	65%	0.652	S	S	*	*			trans	-57.2	119.1	167.8	23.9	-28.8	0	0	0	106.9	G142	P140-G142 PolarHBondContact O-N 3.12Å
141	C	34.7	Very low	34.3	Very low	73 Å²	73	118.8 Å²	118.8	49%	0.493	65%	0.648	S	S	.	*			trans	-57.7	96.2	160.5	-67.6	0	0	0	0	105.1	A139 G143	A139-C141 PolarHBondContact O-N 3.21Å; C141-G143 VanDerWaalsContact C-N 3.29Å; C141-G143 PolarHBondContact O-N 3.41Å
142	G	34.2	Very low	33.8	Very low	67 Å²	67	118.7 Å²	118.7	69%	0.691	66%	0.658	S	S	*	*			trans	-69	87.4	-172.2	0	0	0	0	0	109.7	P140 R144	P140-G142 PolarHBondContact O-N 3.12Å; G142-R144 PolarHBondContact O-N 3.25Å
143	G	31.8	Very low	33.6	Very low	71 Å²	71	123 Å²	123	73%	0.732	67%	0.671	S	S	*	*			trans	-61.7	114.7	161.6	0	0	0	0	0	107.9	C141 R145	C141-G143 VanDerWaalsContact C-N 3.29Å; C141-G143 PolarHBondContact O-N 3.41Å; G143-R145 PolarHBondContact O-N 2.95Å
144	R	29	Very low	33	Very low	244 Å²	244	127.9 Å²	127.9	92%	0.921	69%	0.687	S	S	*	*			trans	-61.3	119.1	169.1	-70.5	-174.7	177.4	-166.5	-0.5	107.2	G142 G146	G142-R144 PolarHBondContact O-N 3.25Å; R144-G146 PolarHBondContact O-N 3.06Å
145	R	34.4	Very low	32.5	Very low	251 Å²	251	129 Å²	129	95%	0.947	70%	0.695	S	S	*	*			trans	-55	112.1	162.7	-94	-178.3	-96.7	-161.2	-5.5	107.6	G143	G143-R145 PolarHBondContact O-N 2.95Å
146	G	28.4	Very low	32.3	Very low	60 Å²	60	132.3 Å²	132.3	62%	0.619	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-70.3	157.8	161.6	0	0	0	0	0	109.9	R144	R144-G146 PolarHBondContact O-N 3.06Å
147	P	30.3	Very low	32.1	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.3	-162.7	30	-32.7	0	0	0	111.2	R149	P147-R149 PolarHBondContact O-N 3.33Å
148	E	31.5	Very low	32.3	Very low	201 Å²	201	142.3 Å²	142.3	94%	0.939	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-52.3	119.9	155.8	-77.1	168.3	163.8	0	0	107.8
149	R	29.5	Very low	32.1	Very low	223 Å²	223	149.9 Å²	149.9	84%	0.842	79%	0.789	S	S	*	*			trans	-119.7	112.7	162.9	-78.8	-164.1	-174.4	-139.8	3.8	107.9	P147	P147-R149 PolarHBondContact O-N 3.33Å
150	Y	38.2	Very low	32.3	Very low	308 Å²	308	157.5 Å²	157.5	100%	1.208	81%	0.811	S	S	*	*			trans	58.1	0	164.3	-91.9	-89.7	0	0	0	118.8

Retrieved 150 of 150 residues in 80.4 ms (Link to these results)

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