A0A060Y603_ONCMY Loading...

ADP-ribosylation factor-like protein 11

May play a role in apoptosis. May act as a tumor suppressor.

AlphaFold DB (A0A1S3S4T6), UniProt , Accession A0A060Y603, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38.1	Very low	246 Å²	246	147.5 Å²	147.5	100%	1.212	83%	0.825	S	S	*	*				0	89.6	0	-64.5	-167.3	-102.3	0	0	106
2	G	36.2	Very low	38.2	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	81%	0.814	S	S	*	*				75.7	107.3	83.9	0	0	0	0	0	107.6
3	N	37.6	Very low	38.4	Very low	165 Å²	165	142.6 Å²	142.6	88%	0.882	81%	0.811	S	S	*	*				-152.8	129	51.5	-74.7	-18.2	0	0	0	113.2
4	Q	40.9	Very low	39	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	80%	0.801	S	S	*	*			trans	-73.8	170.8	139.3	-71.1	176	-9.9	0	0	109
5	L	34.3	Very low	39.2	Very low	166 Å²	166	143.5 Å²	143.5	87%	0.869	80%	0.799	S	S	*	*			trans	96.4	116.5	178.9	-52.4	168	0	0	0	111.4
6	T	37.6	Very low	39.5	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	78%	0.782	S	S	*	*			cis	-154.2	124	33	28.5	0	0	0	0	111.8
7	E	43.2	Very low	40	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	77%	0.773	S	S	*	*			trans	-51.4	136.5	133.9	-73.5	178.5	143.4	0	0	108.5
8	I	38.2	Very low	40.7	Very low	139 Å²	139	141.9 Å²	141.9	71%	0.713	78%	0.779	S	S	*	*			trans	177.5	85.2	138.5	-76	138.3	0	0	0	103.4	P10	I8-P10 HydrophobicContact CG2-CB 4.36Å; I8-P10 WeakPolarHBondContact O-CD 3.33Å
9	A	35.5	Very low	42.4	Very low	100 Å²	100	141.7 Å²	141.7	83%	0.826	77%	0.772	S	S	*	*			trans	-76.5	111.2	148.6	0	0	0	0	0	104.5	N11	A9-N11 PolarHBondContact O-N 3.42Å
10	P	35.7	Very low	44.8	Very low	85 Å²	85	136.7 Å²	136.7	55%	0.552	75%	0.748	S	S	*	*			trans	-62.3	135.2	-175.8	25.3	-32.6	0	0	0	109	I8 T12	I8-P10 HydrophobicContact CG2-CB 4.36Å; I8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-T12 PolarHBondContact O-N 3.42Å; P10-T12 PolarHBondContact O-OG1 3.16Å
11	N	42.3	Very low	47.2	Very low	171 Å²	171	130.7 Å²	130.7	91%	0.914	72%	0.715	S	S	*	*			trans	-48.4	87.8	160.2	-82.9	-38	0	0	0	108.7	A9	A9-N11 PolarHBondContact O-N 3.42Å
12	T	39.1	Very low	50	Low	112 Å²	112	121.2 Å²	121.2	69%	0.687	67%	0.668	S	S	*	*			trans	-88.8	123.5	177.9	8.9	0	0	0	0	106.7	P10 F14	P10-T12 PolarHBondContact O-N 3.42Å; P10-T12 PolarHBondContact O-OG1 3.16Å; T12-F14 PolarHBondContact O-N 3.01Å; T12-F14 VanDerWaalsContact O-N 3.09Å
13	P	41	Very low	52.9	Low	120 Å²	120	118.2 Å²	118.2	78%	0.779	64%	0.637	S	S	*	*			trans	-57.5	121.4	169.5	21.9	-27.9	0	0	0	108	L15	P13-L15 PolarHBondContact O-N 3.43Å
14	F	46.5	Very low	55.8	Low	153 Å²	153	110.4 Å²	110.4	67%	0.671	60%	0.595	S	S	*	*			trans	-57.4	96.7	-165.6	-152.2	-97.6	0	0	0	111.3	T12	T12-F14 PolarHBondContact O-N 3.01Å; T12-F14 VanDerWaalsContact O-N 3.09Å
15	L	42.3	Very low	58.6	Low	146 Å²	146	102.4 Å²	102.4	76%	0.764	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.6	161.1	-73.4	173	0	0	0	107.3	P13 N17	P13-L15 PolarHBondContact O-N 3.43Å; L15-N17 PolarHBondContact O-N 3.47Å
16	P	44.4	Very low	61.7	Low	82 Å²	82	94.5 Å²	94.5	53%	0.532	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-64.3	134.8	-175.1	26.8	-31.9	0	0	0	108.6	F18	P16-F18 PolarHBondContact O-N 2.78Å
17	N	47.7	Very low	64.6	Low	118 Å²	118	88.9 Å²	88.9	63%	0.631	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-48.6	119.9	166.1	-80	-3.9	0	0	0	107.6	L15 Q19	L15-N17 PolarHBondContact O-N 3.47Å; N17-Q19 HydrophobicContact CB-CB 4.47Å; N17-Q19 HydrophobicContact CB-CG 4.43Å; N17-Q19 PolarHBondContact O-N 2.96Å
18	F	52.1	Low	67.2	Low	202 Å²	202	80.5 Å²	80.5	89%	0.886	44%	0.443	S	S	*	.			trans	-68.1	40.8	172.7	-73.3	-87.9	0	0	0	111.5	P16	P16-F18 PolarHBondContact O-N 2.78Å
19	Q	74.3	Confident	70	Confident	137 Å²	137	75.7 Å²	75.7	64%	0.64	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-84.3	121.8	175.6	-85.2	-178.9	-23.1	0	0	109	N17 L21	N17-Q19 HydrophobicContact CB-CB 4.47Å; N17-Q19 HydrophobicContact CB-CG 4.43Å; N17-Q19 PolarHBondContact O-N 2.96Å; Q19-L21 PolarHBondContact O-N 3.4Å
20	S	88.8	Confident	72.9	Confident	42 Å²	42	74.5 Å²	74.5	29%	0.294	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-56.2	134.2	167.6	-172.7	0	0	0	0	109.7	T71 Q73	S20-T71 CarbonylContact C-O 3.59Å; S20-T71 VanDerWaalsContact CA-O 3.26Å; S20-T71 WeakPolarHBondContact CA-O 3.47Å; S20-T71 PolarHBondContact OG-O 3.11Å; S20-Q73 WeakPolarHBondContact OG-CB 3.47Å; S20-Q73 PolarHBondContact OG-N 3.17Å; S20-Q73 VanDerWaalsContact OG-N 3.07Å
21	L	95.4	Very high	75.9	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.052	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.6	173.4	-66.5	175.2	0	0	0	109.4	Q19 V23 T71 F72 Q73 D95 Y184 I187	Q19-L21 PolarHBondContact O-N 3.4Å; L21-V23 PolarHBondContact O-N 3.22Å; L21-T71 PolarHBondContact N-O 3.21Å; L21-F72 HydrophobicContact CB-CD1 3.93Å; L21-F72 HydrophobicContact CB-CE1 4.23Å; L21-F72 HydrophobicContact CD1-CD1 4.11Å; L21-F72 HydrophobicContact CD1-CE1 3.61Å; L21-F72 HydrophobicContact CD1-CZ 4.44Å; L21-F72 HydrophobicContact CG-CD1 4.5Å; L21-F72 HydrophobicContact CG-CE1 4.45Å; L21-F72 CarbonylContact O-C 3.54Å; L21-F72 WeakPolarHBondContact O-CA 3.46Å; L21-Q73 PolarHBondContact O-N 3.3Å; L21-D95 WeakPolarHBondContact CA-OD2 3.29Å; L21-D95 HydrophobicContact CB-CB 4.46Å; L21-D95 HydrophobicContact CD2-CB 4.28Å; L21-Y184 HydrophobicContact CD1-CD2 3.57Å; L21-Y184 HydrophobicContact CD1-CE2 3.89Å; L21-I187 HydrophobicContact CD1-CD1 4.23Å; L21-I187 HydrophobicContact CD1-CG2 4.21Å; L21-I187 HydrophobicContact CD2-CG2 3.96Å
22	H	96.8	Very high	78.6	Confident	48 Å²	48	63.1 Å²	63.1	22%	0.222	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.1	176.7	179.1	-146.6	0	0	0	109	W75 T94 D95	H22-W75 AromaticContact CD2-CD1 3.31Å; H22-W75 AromaticContact CD2-NE1 3.33Å; H22-W75 PolarHBondContact CD2-NE1 3.05Å; H22-W75 VanDerWaalsContact CD2-NE1 3.33Å; H22-W75 AromaticContact NE2-CD1 3.11Å; H22-W75 AromaticContact NE2-CG 3.97Å; H22-W75 AromaticContact NE2-NE1 3.15Å; H22-W75 PolarHBondContact NE2-NE1 3.45Å; H22-W75 VanDerWaalsContact NE2-NE1 3.15Å; H22-T94 PolarHBondContact O-OG1 3.33Å; H22-D95 PolarHBondContact N-OD2 3.25Å; H22-D95 WeakPolarHBondContact O-CB 3.39Å; H22-D95 PolarHBondContact O-N 2.91Å
23	V	98.1	Very high	81.4	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.2	-178.5	175.1	0	0	0	0	109.4	L21 F72 Q73 V74 W75 G96 V98 L183 I187	L21-V23 PolarHBondContact O-N 3.22Å; V23-F72 HydrophobicContact CB-CD2 4.36Å; V23-F72 HydrophobicContact CG2-CB 4.36Å; V23-F72 HydrophobicContact CG2-CD2 3.74Å; V23-F72 HydrophobicContact CG2-CE2 4.13Å; V23-F72 HydrophobicContact CG2-CG 4Å; V23-Q73 PolarHBondContact N-O 3.01Å; V23-V74 CarbonylContact O-C 3.59Å; V23-V74 VanDerWaalsContact O-CA 3.28Å; V23-V74 WeakPolarHBondContact O-CA 3.41Å; V23-W75 PolarHBondContact O-N 2.92Å; V23-G96 WeakPolarHBondContact CA-O 3.41Å; V23-V98 HydrophobicContact CG1-CG2 3.84Å; V23-L183 HydrophobicContact CG1-CD2 3.94Å; V23-L183 HydrophobicContact CG2-CD2 4.31Å; V23-I187 HydrophobicContact CG2-CD1 4.4Å
24	V	98.5	Very high	84	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.8	176.6	-175.8	0	0	0	0	109.1	I26 W75 V77 Y90 T91 G96 L97 V98	V24-I26 HydrophobicContact CG1-CG2 3.84Å; V24-W75 CarbonylContact C-O 3.6Å; V24-W75 WeakPolarHBondContact CA-O 3.46Å; V24-W75 HydrophobicContact CG2-CB 4.33Å; V24-V77 HydrophobicContact CG1-CG2 4.02Å; V24-Y90 VanDerWaalsContact CG2-O 3.3Å; V24-Y90 WeakPolarHBondContact CG2-O 3.2Å; V24-T91 HydrophobicContact CB-CG2 4.36Å; V24-T91 HydrophobicContact CG1-CG2 4.04Å; V24-G96 PolarHBondContact N-O 3.38Å; V24-L97 HydrophobicContact CB-CD1 4.23Å; V24-V98 PolarHBondContact O-N 2.94Å
25	V	98.7	Very high	86.4	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.8	174.6	-177.3	0	0	0	0	108.2	K33 V74 W75 V77 V98 V100	V25-K33 HydrophobicContact CG1-CB 3.84Å; V25-K33 HydrophobicContact CG1-CD 4.21Å; V25-K33 HydrophobicContact CG1-CG 3.91Å; V25-V74 HydrophobicContact CB-CG1 4.43Å; V25-V74 HydrophobicContact CG2-CG1 3.43Å; V25-V74 VanDerWaalsContact CG2-CG1 3.43Å; V25-W75 PolarHBondContact N-O 2.75Å; V25-V77 PolarHBondContact O-N 3.31Å; V25-V77 VanDerWaalsContact O-N 3.09Å; V25-V98 WeakPolarHBondContact CA-O 3.48Å; V25-V98 HydrophobicContact CB-CB 4.43Å; V25-V98 HydrophobicContact CG1-CB 4.44Å; V25-V98 HydrophobicContact CG1-CG1 4.33Å; V25-V98 HydrophobicContact CG2-CB 3.95Å; V25-V98 HydrophobicContact CG2-CG1 4.4Å; V25-V98 HydrophobicContact CG2-CG2 4.34Å; V25-V100 HydrophobicContact CG1-CG2 3.71Å
26	I	98.6	Very high	89	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	177.1	175.7	62.9	172	0	0	0	110.2	V24 K33 V77 W87 T91 L97 V98 F99 V100 I119	V24-I26 HydrophobicContact CG1-CG2 3.84Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; I26-V77 HydrophobicContact CG2-CB 4.16Å; I26-V77 HydrophobicContact CG2-CG2 4.31Å; I26-W87 HydrophobicContact CB-CD2 3.97Å; I26-W87 HydrophobicContact CB-CE3 4.23Å; I26-W87 HydrophobicContact CB-CG 4.34Å; I26-W87 HydrophobicContact CB-CZ2 4.35Å; I26-W87 HydrophobicContact CB-CZ3 4.47Å; I26-W87 HydrophobicContact CD1-CD2 4.17Å; I26-W87 HydrophobicContact CD1-CE3 3.76Å; I26-W87 HydrophobicContact CD1-CZ3 4.19Å; I26-W87 HydrophobicContact CG1-CE3 4.46Å; I26-W87 HydrophobicContact CG2-CB 4.34Å; I26-W87 HydrophobicContact CG2-CD2 4.08Å; I26-W87 HydrophobicContact CG2-CG 3.91Å; I26-T91 HydrophobicContact CD1-CG2 4.26Å; I26-L97 HydrophobicContact CD1-CD1 3.79Å; I26-L97 HydrophobicContact CD1-CD2 4.18Å; I26-L97 HydrophobicContact CD1-CG 4.42Å; I26-L97 HydrophobicContact CG1-CD1 3.79Å; I26-L97 HydrophobicContact CG1-CG 4.41Å; I26-V98 PolarHBondContact N-O 3.43Å; I26-F99 HydrophobicContact CD1-CD2 4.14Å; I26-F99 HydrophobicContact CG1-CD2 3.85Å; I26-F99 HydrophobicContact CG1-CE2 4.44Å; I26-F99 CarbonylContact O-C 3.52Å; I26-F99 WeakPolarHBondContact O-CA 3.2Å; I26-V100 PolarHBondContact O-N 3.34Å; I26-I119 HydrophobicContact CD1-CB 4.33Å; I26-I119 HydrophobicContact CD1-CG1 4.04Å; I26-I119 HydrophobicContact CD1-CG2 3.89Å
27	G	98.6	Very high	91.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.			trans	137.4	161.7	-170.6	0	0	0	0	0	109.8	K33 G79 W87 V100	G27-K33 WeakPolarHBondContact O-CE 3.28Å; G27-K33 PolarHBondContact O-NZ 3.2Å; G27-G79 VanDerWaalsContact O-CA 3.29Å; G27-G79 WeakPolarHBondContact O-CA 3.47Å; G27-W87 WeakPolarHBondContact O-CZ2 3.24Å; G27-V100 WeakPolarHBondContact CA-O 3.44Å
28	L	98.6	Very high	93.8	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	17%	0.172	C	C	.	.	S	Bend	trans	-56.2	158.7	-177.2	-51.7	-174.4	0	0	0	111.5	A31 K33 W87 R108 E111 A112 E115	L28-A31 VanDerWaalsContact O-CB 3.32Å; L28-A31 WeakPolarHBondContact O-CB 3.37Å; L28-A31 PolarHBondContact O-N 3.47Å; L28-K33 PolarHBondContact O-NZ 3.08Å; L28-W87 HydrophobicContact CD2-CH2 4.48Å; L28-R108 HydrophobicContact CD1-CB 3.89Å; L28-E111 HydrophobicContact CD1-CB 4.14Å; L28-E111 HydrophobicContact CD1-CG 4.03Å; L28-E111 HydrophobicContact CD2-CG 4.11Å; L28-A112 HydrophobicContact CD1-CB 3.92Å; L28-A112 HydrophobicContact CG-CB 4.13Å; L28-E115 HydrophobicContact CD2-CG 4.27Å
29	D	97.5	Very high	95.8	Very high	38 Å²	38	25.9 Å²	25.9	20%	0.203	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	155.1	168.3	51.4	-78.5	0	0	0	111.3	A31 G79 Q80 R84 R108	D29-A31 PolarHBondContact O-N 3.33Å; D29-G79 PolarHBondContact N-O 3.27Å; D29-Q80 HydrophobicContact CB-CG 4.08Å; D29-R84 IonicContact OD1-NH2 3.86Å; D29-R84 PolarHBondContact OD1-NH2 3.48Å; D29-R108 PolarHBondContact O-NH2 3.27Å; D29-R108 IonicContact OD1-NH1 3.96Å; D29-R108 IonicContact OD2-CZ 2.72Å; D29-R108 IonicContact OD2-NH1 2.62Å; D29-R108 PolarHBondContact OD2-NH1 3.3Å
30	S	97	Very high	96.8	Very high	76 Å²	76	21.6 Å²	21.6	53%	0.531	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-3.1	-179.7	-52.4	0	0	0	0	117.1	G32 K136	S30-G32 PolarHBondContact O-N 3.18Å; S30-G32 VanDerWaalsContact O-N 3.12Å; S30-K136 VanDerWaalsContact O-CE 3.28Å; S30-K136 WeakPolarHBondContact O-CE 3.48Å; S30-K136 PolarHBondContact O-NZ 2.78Å
31	A	97.9	Very high	97	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	12%	0.124	C	C	.	.	S	Bend	trans	-64.6	-13.6	174.5	0	0	0	0	0	114.5	L28 D29 V100 N135	L28-A31 VanDerWaalsContact O-CB 3.32Å; L28-A31 WeakPolarHBondContact O-CB 3.37Å; L28-A31 PolarHBondContact O-N 3.47Å; D29-A31 PolarHBondContact O-N 3.33Å; A31-V100 HydrophobicContact CB-CB 4.37Å; A31-V100 HydrophobicContact CB-CG1 4.02Å; A31-V100 VanDerWaalsContact O-CG1 3.26Å; A31-V100 WeakPolarHBondContact O-CG1 3.3Å; A31-N135 PolarHBondContact O-ND2 3.37Å
32	G	97.8	Very high	96.9	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	14%	0.143	C	C	.	.			trans	93.6	18.1	175.6	0	0	0	0	0	115.9	S30 T34 S35 L36	S30-G32 PolarHBondContact O-N 3.18Å; S30-G32 VanDerWaalsContact O-N 3.12Å; G32-T34 PolarHBondContact O-N 3.32Å; G32-S35 PolarHBondContact O-N 2.93Å; G32-L36 WeakPolarHBondContact O-CD1 3.2Å; G32-L36 VanDerWaalsContact O-CG 3.23Å; G32-L36 WeakPolarHBondContact O-CG 3.31Å; G32-L36 PolarHBondContact O-N 3.48Å
33	K	97.9	Very high	96.6	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-48.9	-53.7	-179.9	-62.5	-178.5	-63.1	-67.4	0	114.2	V25 I26 G27 L28 L36 L37 D76 V77 V100	V25-K33 HydrophobicContact CG1-CB 3.84Å; V25-K33 HydrophobicContact CG1-CD 4.21Å; V25-K33 HydrophobicContact CG1-CG 3.91Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; G27-K33 WeakPolarHBondContact O-CE 3.28Å; G27-K33 PolarHBondContact O-NZ 3.2Å; L28-K33 PolarHBondContact O-NZ 3.08Å; K33-L36 WeakPolarHBondContact O-CB 3.4Å; K33-L36 PolarHBondContact O-N 3.5Å; K33-L37 PolarHBondContact O-N 3.12Å; K33-L37 VanDerWaalsContact O-N 3.11Å; K33-D76 VanDerWaalsContact CB-OD1 3.27Å; K33-D76 WeakPolarHBondContact CB-OD1 3.47Å; K33-V77 WeakPolarHBondContact CE-O 3.5Å; K33-V100 HydrophobicContact CG-CB 3.8Å; K33-V100 HydrophobicContact CG-CG1 4.42Å; K33-V100 HydrophobicContact CG-CG2 3.84Å
34	T	97	Very high	96.2	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-40.4	-177.6	-45.3	0	0	0	0	111.7	G32 L36 L37 Y38 T48 T51 D76	G32-T34 PolarHBondContact O-N 3.32Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.36Å; T34-L37 WeakPolarHBondContact O-CB 3.47Å; T34-L37 PolarHBondContact O-N 3.42Å; T34-Y38 HydrophobicContact CG2-CD2 4.12Å; T34-Y38 HydrophobicContact CG2-CE2 3.74Å; T34-Y38 PolarHBondContact O-N 3.47Å; T34-T48 HydrophobicContact CG2-CG2 3.84Å; T34-T51 PolarHBondContact OG1-OG1 3.22Å; T34-D76 WeakPolarHBondContact CA-OD2 3.24Å; T34-D76 VanDerWaalsContact CB-OD2 3.29Å; T34-D76 WeakPolarHBondContact CB-OD2 3.33Å; T34-D76 PolarHBondContact OG1-OD2 2.69Å
35	S	97.3	Very high	95.9	Very high	8 Å²	8	45.6 Å²	45.6	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-37.2	174.8	-62.7	0	0	0	0	112.3	G32 Y38 R39 V46 T48	G32-S35 PolarHBondContact O-N 2.93Å; S35-Y38 PolarHBondContact O-N 3.47Å; S35-R39 VanDerWaalsContact O-CB 3.25Å; S35-R39 WeakPolarHBondContact O-CB 3.49Å; S35-R39 PolarHBondContact O-N 2.89Å; S35-V46 PolarHBondContact OG-O 2.9Å; S35-T48 PolarHBondContact OG-OG1 3.35Å
36	L	96.8	Very high	95.6	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-46.3	172.3	-70	160.9	0	0	0	111.5	G32 K33 T34 Y38 R39 L40 V100 L133 N135 A170 L176	G32-L36 WeakPolarHBondContact O-CD1 3.2Å; G32-L36 VanDerWaalsContact O-CG 3.23Å; G32-L36 WeakPolarHBondContact O-CG 3.31Å; G32-L36 PolarHBondContact O-N 3.48Å; K33-L36 WeakPolarHBondContact O-CB 3.4Å; K33-L36 PolarHBondContact O-N 3.5Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.36Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 3.23Å; L36-R39 PolarHBondContact O-N 3.2Å; L36-L40 WeakPolarHBondContact O-CD1 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.89Å; L36-V100 HydrophobicContact CD1-CB 4.21Å; L36-V100 HydrophobicContact CD1-CG1 3.38Å; L36-V100 HydrophobicContact CD1-CG2 3.7Å; L36-L133 HydrophobicContact CD1-CD1 4.19Å; L36-N135 HydrophobicContact CD1-CB 4.33Å; L36-A170 HydrophobicContact CD2-CB 3.66Å; L36-A170 HydrophobicContact CG-CB 3.78Å; L36-L176 HydrophobicContact CD2-CD1 4.02Å; L36-L176 HydrophobicContact CD2-CD2 3.15Å; L36-L176 HydrophobicContact CD2-CG 4.2Å; L36-L176 HydrophobicContact CG-CD2 4.5Å
37	L	95.8	Very high	95.1	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-43.8	178.6	178.9	57	0	0	0	111.6	K33 T34 L40 K41 E57 I59 V74 D76	K33-L37 PolarHBondContact O-N 3.12Å; K33-L37 VanDerWaalsContact O-N 3.11Å; T34-L37 WeakPolarHBondContact O-CB 3.47Å; T34-L37 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 3.48Å; L37-K41 WeakPolarHBondContact O-CB 3.28Å; L37-K41 PolarHBondContact O-N 3Å; L37-E57 HydrophobicContact CD1-CB 4Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.81Å; L37-E57 HydrophobicContact CG-CB 4.22Å; L37-E57 HydrophobicContact CG-CG 4.23Å; L37-I59 HydrophobicContact CD1-CG2 3.9Å; L37-V74 HydrophobicContact CD1-CB 4Å; L37-V74 HydrophobicContact CD1-CG1 3.94Å; L37-V74 HydrophobicContact CD1-CG2 4.3Å; L37-V74 HydrophobicContact CD2-CG1 4.4Å; L37-D76 HydrophobicContact CD2-CB 3.75Å
38	Y	95.8	Very high	94.8	Very high	61 Å²	61	57.8 Å²	57.8	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-69.9	-37.6	176.1	-68.9	-18.4	0	0	0	112.6	T34 S35 L36 L40 K41 L42 V46 T48	T34-Y38 HydrophobicContact CG2-CD2 4.12Å; T34-Y38 HydrophobicContact CG2-CE2 3.74Å; T34-Y38 PolarHBondContact O-N 3.47Å; S35-Y38 PolarHBondContact O-N 3.47Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 3.23Å; Y38-L40 VanDerWaalsContact C-N 3.27Å; Y38-L40 PolarHBondContact O-N 3.28Å; Y38-K41 PolarHBondContact O-N 3Å; Y38-L42 HydrophobicContact CG-CD1 4.46Å; Y38-L42 WeakPolarHBondContact O-CA 3.3Å; Y38-L42 WeakPolarHBondContact O-CB 3.4Å; Y38-L42 PolarHBondContact O-N 3.24Å; Y38-V46 HydrophobicContact CD2-CB 3.83Å; Y38-V46 HydrophobicContact CD2-CG1 3.87Å; Y38-V46 HydrophobicContact CD2-CG2 4.33Å; Y38-V46 HydrophobicContact CE2-CG1 4.34Å; Y38-V46 HydrophobicContact CG-CB 4.46Å; Y38-T48 HydrophobicContact CD2-CG2 3.88Å; Y38-T48 HydrophobicContact CE2-CG2 3.97Å
39	R	95.7	Very high	94.4	Very high	49 Å²	49	64 Å²	64	19%	0.185	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-40	172	176	57.4	77.3	-179.8	6.5	111.9	S35 L36 R43 E44 A170 L171 L176	S35-R39 VanDerWaalsContact O-CB 3.25Å; S35-R39 WeakPolarHBondContact O-CB 3.49Å; S35-R39 PolarHBondContact O-N 2.89Å; L36-R39 PolarHBondContact O-N 3.2Å; R39-R43 PolarHBondContact NH1-O 3.38Å; R39-R43 WeakPolarHBondContact O-CA 3.3Å; R39-R43 PolarHBondContact O-N 2.97Å; R39-R43 VanDerWaalsContact O-N 3.14Å; R39-E44 VanDerWaalsContact CA-O 3.3Å; R39-E44 WeakPolarHBondContact CA-O 3.32Å; R39-A170 WeakPolarHBondContact CG-O 3.39Å; R39-A170 PolarHBondContact NE-O 3Å; R39-L171 PolarHBondContact NH2-O 3.41Å; R39-L176 HydrophobicContact CB-CD1 4.12Å; R39-L176 HydrophobicContact CG-CD1 3.57Å
40	L	93.5	Very high	94.2	Very high	47 Å²	47	66.1 Å²	66.1	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-42.1	176	-74.6	161.8	0	0	0	112.9	L36 L37 Y38 I59 L176 L180	L36-L40 WeakPolarHBondContact O-CD1 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 3.48Å; Y38-L40 VanDerWaalsContact C-N 3.27Å; Y38-L40 PolarHBondContact O-N 3.28Å; L40-I59 HydrophobicContact CB-CD1 4.23Å; L40-I59 HydrophobicContact CD1-CD1 4.01Å; L40-L176 HydrophobicContact CD2-CB 3.84Å; L40-L176 HydrophobicContact CD2-CD1 4.33Å; L40-L176 HydrophobicContact CG-CB 4.39Å; L40-L176 HydrophobicContact CG-CD1 4.11Å; L40-L180 HydrophobicContact CD1-CD1 3.74Å; L40-L180 HydrophobicContact CD2-CD1 3.51Å; L40-L180 HydrophobicContact CG-CD1 4.24Å
41	K	93.3	Very high	93.9	Very high	88 Å²	88	63.7 Å²	63.7	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-78.7	-47.7	-174.4	-176.1	178.2	167.8	-173.5	0	112.9	L37 Y38 E57 I59	L37-K41 WeakPolarHBondContact O-CB 3.28Å; L37-K41 PolarHBondContact O-N 3Å; Y38-K41 PolarHBondContact O-N 3Å; K41-E57 HydrophobicContact CD-CB 4.41Å; K41-E57 HydrophobicContact CD-CG 4.25Å; K41-E57 WeakPolarHBondContact CE-OE2 3.46Å; K41-E57 IonicContact NZ-OE1 2.82Å; K41-E57 PolarHBondContact NZ-OE1 3.45Å; K41-E57 IonicContact NZ-OE2 2.59Å; K41-E57 PolarHBondContact NZ-OE2 3.45Å; K41-I59 HydrophobicContact CB-CG2 3.93Å; K41-I59 HydrophobicContact CG-CG2 4.44Å
42	L	93.3	Very high	93.5	Very high	88 Å²	88	72.6 Å²	72.6	46%	0.461	35%	0.348	S	S	.	.	H	α-helix	trans	-99.9	-12.3	-170.2	-54.3	179	0	0	0	112.5	Y38 E44 V46	Y38-L42 HydrophobicContact CG-CD1 4.46Å; Y38-L42 WeakPolarHBondContact O-CA 3.3Å; Y38-L42 WeakPolarHBondContact O-CB 3.4Å; Y38-L42 PolarHBondContact O-N 3.24Å; L42-E44 PolarHBondContact O-N 3Å; L42-V46 HydrophobicContact CD1-CG2 4.12Å
43	R	91.6	Very high	93.2	Very high	212 Å²	212	72.9 Å²	72.9	80%	0.8	35%	0.351	S	S	*	.	S	Bend	trans	61	16.9	-171.6	-55.6	-167.2	175.8	-171.6	-0.8	114.3	R39	R39-R43 PolarHBondContact NH1-O 3.38Å; R39-R43 WeakPolarHBondContact O-CA 3.3Å; R39-R43 PolarHBondContact O-N 2.97Å; R39-R43 VanDerWaalsContact O-N 3.14Å
44	E	89.8	Confident	93	Very high	130 Å²	130	76.7 Å²	76.7	61%	0.607	37%	0.367	S	S	*	.	S	Bend	trans	-126.4	152.1	179.4	-69	-178.9	170.3	0	0	110.5	R39 L42	R39-E44 VanDerWaalsContact CA-O 3.3Å; R39-E44 WeakPolarHBondContact CA-O 3.32Å; L42-E44 PolarHBondContact O-N 3Å
45	F	92	Very high	92.8	Very high	87 Å²	87	77.8 Å²	77.8	38%	0.382	37%	0.373	S	S	.	.			trans	-82	127.5	169.9	174.9	-103	0	0	0	108.2	E47 L171	F45-E47 HydrophobicContact CE1-CB 4.35Å; F45-L171 HydrophobicContact CB-CD1 4.47Å; F45-L171 HydrophobicContact CD1-CD1 3.96Å; F45-L171 HydrophobicContact CD2-CD1 4.23Å; F45-L171 HydrophobicContact CE1-CD1 4.2Å; F45-L171 HydrophobicContact CE2-CD1 4.45Å; F45-L171 HydrophobicContact CG-CD1 3.96Å; F45-L171 HydrophobicContact CZ-CD1 4.43Å
46	V	91.2	Very high	92.7	Very high	45 Å²	45	79.4 Å²	79.4	27%	0.273	38%	0.382	S	S	.	.			trans	-118	121.6	175.4	178.9	0	0	0	0	106.6	S35 Y38 L42 T48	S35-V46 PolarHBondContact OG-O 2.9Å; Y38-V46 HydrophobicContact CD2-CB 3.83Å; Y38-V46 HydrophobicContact CD2-CG1 3.87Å; Y38-V46 HydrophobicContact CD2-CG2 4.33Å; Y38-V46 HydrophobicContact CE2-CG1 4.34Å; Y38-V46 HydrophobicContact CG-CB 4.46Å; L42-V46 HydrophobicContact CD1-CG2 4.12Å; V46-T48 HydrophobicContact CG1-CG2 4.35Å
47	E	88.9	Confident	92.7	Very high	175 Å²	175	80.7 Å²	80.7	82%	0.818	39%	0.388	S	S	*	.			trans	-66.7	133.2	168.4	-170.4	174.5	-170	0	0	108.6	F45	F45-E47 HydrophobicContact CE1-CB 4.35Å
48	T	91.6	Very high	92.6	Very high	50 Å²	50	88.5 Å²	88.5	31%	0.307	42%	0.418	S	S	.	.			trans	-125.1	147.5	-171.6	55.9	0	0	0	0	111	T34 S35 Y38 V46	T34-T48 HydrophobicContact CG2-CG2 3.84Å; S35-T48 PolarHBondContact OG-OG1 3.35Å; Y38-T48 HydrophobicContact CD2-CG2 3.88Å; Y38-T48 HydrophobicContact CE2-CG2 3.97Å; V46-T48 HydrophobicContact CG1-CG2 4.35Å
49	I	91.8	Very high	92.6	Very high	140 Å²	140	86 Å²	86	72%	0.718	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-86.9	158.6	165.3	62.3	170.2	0	0	0	109.6	T51	I49-T51 PolarHBondContact O-N 3.07Å
50	P	92.3	Very high	92.4	Very high	83 Å²	83	91.8 Å²	91.8	54%	0.539	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-54.7	124.9	178.1	-27.7	35.6	0	0	0	113	K52	P50-K52 PolarHBondContact O-N 2.96Å
51	T	90.4	Very high	92.3	Very high	25 Å²	25	89.6 Å²	89.6	15%	0.153	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-60.4	123.1	-177.6	-48.6	0	0	0	0	111.8	T34 I49 G53 L83	T34-T51 PolarHBondContact OG1-OG1 3.22Å; I49-T51 PolarHBondContact O-N 3.07Å; T51-G53 PolarHBondContact O-N 3.27Å; T51-L83 WeakPolarHBondContact O-CD1 3.29Å
52	K	89.5	Confident	92.1	Very high	189 Å²	189	87.7 Å²	87.7	82%	0.822	42%	0.424	S	S	*	.	S	Bend	trans	-82.1	107.2	171.7	-65.5	-177.5	-177.8	177.7	0	108.9	P50 F54	P50-K52 PolarHBondContact O-N 2.96Å; K52-F54 PolarHBondContact O-N 3.31Å; K52-F54 VanDerWaalsContact O-N 3.11Å
53	G	91.6	Very high	91.7	Very high	19 Å²	19	83.9 Å²	83.9	20%	0.196	40%	0.404	C	S	.	.	S	Bend	trans	75.9	-97.1	-179.3	0	0	0	0	0	111.9	T51 G78	T51-G53 PolarHBondContact O-N 3.27Å; G53-G78 PolarHBondContact O-N 2.81Å
54	F	94.3	Very high	90.9	Very high	92 Å²	92	76.8 Å²	76.8	40%	0.404	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.8	-176.3	71.9	-80.1	0	0	0	112.6	K52 T56 W75 D76 Y90	K52-F54 PolarHBondContact O-N 3.31Å; K52-F54 VanDerWaalsContact O-N 3.11Å; F54-T56 WeakPolarHBondContact CE2-OG1 3.08Å; F54-W75 AromaticContact CD2-CE3 3.58Å; F54-W75 HydrophobicContact CD2-CE3 3.58Å; F54-W75 AromaticContact CD2-CZ3 3.68Å; F54-W75 HydrophobicContact CD2-CZ3 3.68Å; F54-W75 AromaticContact CE2-CE3 3.78Å; F54-W75 HydrophobicContact CE2-CE3 3.78Å; F54-W75 HydrophobicContact CE2-CH2 4.41Å; F54-W75 AromaticContact CE2-CZ3 3.35Å; F54-W75 HydrophobicContact CE2-CZ3 3.35Å; F54-W75 HydrophobicContact CG-CE3 4.45Å; F54-W75 HydrophobicContact CZ-CZ3 4.08Å; F54-D76 CarbonylContact C-O 3.58Å; F54-D76 WeakPolarHBondContact CA-O 3.41Å; F54-D76 WeakPolarHBondContact CB-O 3.48Å; F54-Y90 HydrophobicContact CB-CE1 4.28Å; F54-Y90 HydrophobicContact CD1-CE1 4.1Å; F54-Y90 AromaticContact CD1-CZ 3.63Å; F54-Y90 WeakPolarHBondContact CD1-OH 3.33Å; F54-Y90 HydrophobicContact CD2-CE1 4.15Å; F54-Y90 HydrophobicContact CE1-CE1 4.48Å; F54-Y90 WeakPolarHBondContact CE1-OH 3.49Å; F54-Y90 AromaticContact CG-CE1 3.9Å; F54-Y90 HydrophobicContact CG-CE1 3.9Å; F54-Y90 AromaticContact CG-CZ 3.82Å
55	N	93.1	Very high	89.8	Confident	37 Å²	37	77.2 Å²	77.2	20%	0.198	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.4	167.8	179.9	35.6	0	0	0	109.4	E57 W75 D76	N55-E57 WeakPolarHBondContact ND2-CG 3.43Å; N55-W75 WeakPolarHBondContact O-CA 3.42Å; N55-D76 HydrophobicContact CB-CB 4.4Å; N55-D76 PolarHBondContact N-O 2.98Å; N55-D76 PolarHBondContact O-N 3.41Å
56	T	95.2	Very high	88.4	Confident	41 Å²	41	77 Å²	77	25%	0.252	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	179.7	-56.1	0	0	0	0	110.5	F54 Q73 V74 W75	F54-T56 WeakPolarHBondContact CE2-OG1 3.08Å; T56-Q73 HydrophobicContact CG2-CG 4.43Å; T56-V74 CarbonylContact C-O 3.59Å; T56-V74 WeakPolarHBondContact CA-O 3.43Å; T56-W75 HydrophobicContact CG2-CD2 4.15Å; T56-W75 HydrophobicContact CG2-CZ2 4.28Å; T56-W75 WeakPolarHBondContact OG1-CZ3 3.23Å
57	E	95.6	Very high	87.3	Confident	33 Å²	33	87 Å²	87	15%	0.154	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154	-176.1	-69.8	-67.3	-161.6	0	0	113.2	L37 K41 N55 Q73 V74	L37-E57 HydrophobicContact CD1-CB 4Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.81Å; L37-E57 HydrophobicContact CG-CB 4.22Å; L37-E57 HydrophobicContact CG-CG 4.23Å; K41-E57 HydrophobicContact CD-CB 4.41Å; K41-E57 HydrophobicContact CD-CG 4.25Å; K41-E57 WeakPolarHBondContact CE-OE2 3.46Å; K41-E57 IonicContact NZ-OE1 2.82Å; K41-E57 PolarHBondContact NZ-OE1 3.45Å; K41-E57 IonicContact NZ-OE2 2.59Å; K41-E57 PolarHBondContact NZ-OE2 3.45Å; N55-E57 WeakPolarHBondContact ND2-CG 3.43Å; E57-Q73 CarbonylContact O-C 3.54Å; E57-V74 PolarHBondContact N-O 3.29Å; E57-V74 PolarHBondContact O-N 3.14Å
58	R	95.1	Very high	87.1	Confident	168 Å²	168	80.6 Å²	80.6	63%	0.634	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.3	169.7	-71.3	-177.4	177.9	124.7	4.7	109.6	T71 F72	R58-T71 HydrophobicContact CB-CG2 4.21Å; R58-T71 HydrophobicContact CG-CG2 4.43Å; R58-F72 WeakPolarHBondContact CA-O 3.48Å
59	I	94.5	Very high	86.9	Confident	8 Å²	8	82.5 Å²	82.5	4%	0.041	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.9	175.2	65.4	173.8	0	0	0	110.4	L37 L40 K41 V61 T71 F72 V74 L180	L37-I59 HydrophobicContact CD1-CG2 3.9Å; L40-I59 HydrophobicContact CB-CD1 4.23Å; L40-I59 HydrophobicContact CD1-CD1 4.01Å; K41-I59 HydrophobicContact CB-CG2 3.93Å; K41-I59 HydrophobicContact CG-CG2 4.44Å; I59-V61 HydrophobicContact CD1-CG2 4.2Å; I59-V61 HydrophobicContact CG1-CG2 4.18Å; I59-T71 WeakPolarHBondContact O-CA 3.33Å; I59-F72 HydrophobicContact CD1-CB 4.44Å; I59-F72 HydrophobicContact CG1-CB 3.84Å; I59-F72 PolarHBondContact N-O 3.32Å; I59-F72 PolarHBondContact O-N 3.19Å; I59-V74 HydrophobicContact CD1-CG2 3.86Å; I59-V74 HydrophobicContact CG1-CG2 3.85Å; I59-L180 HydrophobicContact CD1-CD1 3.98Å
60	K	92.6	Very high	86.9	Confident	171 Å²	171	76.8 Å²	76.8	74%	0.743	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.2	172	-69.1	-176.1	179.7	179.8	0	108.6	T70	K60-T70 WeakPolarHBondContact CA-O 3.49Å
61	V	90.1	Very high	87	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.5	178.9	-175.5	0	0	0	0	107.7	I59 V63 T69 T70 F72 L180	I59-V61 HydrophobicContact CD1-CG2 4.2Å; I59-V61 HydrophobicContact CG1-CG2 4.18Å; V61-V63 HydrophobicContact CG1-CG1 4.02Å; V61-T69 CarbonylContact O-C 3.56Å; V61-T69 VanDerWaalsContact O-CA 3.26Å; V61-T69 WeakPolarHBondContact O-CA 3.48Å; V61-T70 HydrophobicContact CB-CG2 4.01Å; V61-T70 PolarHBondContact N-O 2.89Å; V61-T70 PolarHBondContact O-N 3.12Å; V61-F72 HydrophobicContact CB-CE1 4.47Å; V61-F72 HydrophobicContact CG2-CD1 4.1Å; V61-F72 HydrophobicContact CG2-CD2 3.9Å; V61-F72 HydrophobicContact CG2-CE1 4.23Å; V61-F72 HydrophobicContact CG2-CE2 4.06Å; V61-F72 HydrophobicContact CG2-CG 3.94Å; V61-F72 HydrophobicContact CG2-CZ 4.23Å; V61-L180 HydrophobicContact CG1-CB 3.75Å; V61-L180 HydrophobicContact CG1-CD1 4.31Å; V61-L180 HydrophobicContact CG2-CB 4.45Å; V61-L180 HydrophobicContact CG2-CD1 3.81Å
62	A	89.2	Confident	87.3	Confident	47 Å²	47	74 Å²	74	39%	0.388	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.6	169.3	0	0	0	0	0	108.8	Q177 E181	A62-Q177 PolarHBondContact O-NE2 3.38Å; A62-E181 WeakPolarHBondContact O-CG 3.45Å
63	V	84.5	Confident	87.6	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.048	37%	0.368	C	S	.	.			trans	-139.7	131.2	-175.7	-70.3	0	0	0	0	110.9	V61 A68 T70 Y184	V61-V63 HydrophobicContact CG1-CG1 4.02Å; V63-A68 HydrophobicContact CG2-CB 4.4Å; V63-A68 PolarHBondContact N-O 3.47Å; V63-T70 HydrophobicContact CG1-CG2 3.73Å; V63-T70 HydrophobicContact CG2-CG2 4.18Å; V63-Y184 HydrophobicContact CB-CD1 3.66Å; V63-Y184 HydrophobicContact CB-CE1 3.65Å; V63-Y184 HydrophobicContact CB-CG 4.31Å; V63-Y184 HydrophobicContact CG1-CD1 3.46Å; V63-Y184 VanDerWaalsContact CG1-CD1 3.46Å; V63-Y184 HydrophobicContact CG1-CD2 4.21Å; V63-Y184 HydrophobicContact CG1-CE1 3.89Å; V63-Y184 HydrophobicContact CG1-CG 3.61Å; V63-Y184 HydrophobicContact CG2-CD1 4.21Å; V63-Y184 HydrophobicContact CG2-CE1 3.74Å
64	G	75	Confident	87.9	Confident	64 Å²	64	66 Å²	66	66%	0.66	36%	0.359	S	S	*	.	S	Bend	trans	74.8	-172.3	-179.2	0	0	0	0	0	113.9
65	S	67.3	Low	88.1	Confident	139 Å²	139	64.9 Å²	64.9	97%	0.972	35%	0.353	S	S	*	.	S	Bend	trans	-89.3	-8	-175.9	35.4	0	0	0	0	114.3
66	S	62	Low	88.3	Confident	83 Å²	83	63.1 Å²	63.1	58%	0.58	34%	0.343	S	S	*	.	S	Bend	trans	-89.3	162.1	168	61.2	0	0	0	0	109.8	A68	S66-A68 PolarHBondContact O-N 2.97Å; S66-A68 WeakPolarHBondContact OG-CB 3.37Å
67	R	69.1	Low	88.4	Confident	254 Å²	254	61.2 Å²	61.2	96%	0.958	33%	0.331	S	S	*	.	S	Bend	trans	-66.2	27.4	172.7	-65.8	-175.5	-178.3	164.3	0.6	113.4
68	A	83.8	Confident	88.4	Confident	40 Å²	40	59.7 Å²	59.7	33%	0.331	32%	0.324	S	S	.	.			trans	-69.6	138.3	177.5	0	0	0	0	0	109.9	V63 S66	V63-A68 HydrophobicContact CG2-CB 4.4Å; V63-A68 PolarHBondContact N-O 3.47Å; S66-A68 PolarHBondContact O-N 2.97Å; S66-A68 WeakPolarHBondContact OG-CB 3.37Å
69	T	88.1	Confident	88.5	Confident	91 Å²	91	51.9 Å²	51.9	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	146	173.7	57.7	0	0	0	0	109	V61	V61-T69 CarbonylContact O-C 3.56Å; V61-T69 VanDerWaalsContact O-CA 3.26Å; V61-T69 WeakPolarHBondContact O-CA 3.48Å
70	T	91.1	Very high	88.6	Confident	19 Å²	19	53.9 Å²	53.9	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	156.1	170.2	-170.8	0	0	0	0	109.3	K60 V61 V63 F72 Y184	K60-T70 WeakPolarHBondContact CA-O 3.49Å; V61-T70 HydrophobicContact CB-CG2 4.01Å; V61-T70 PolarHBondContact N-O 2.89Å; V61-T70 PolarHBondContact O-N 3.12Å; V63-T70 HydrophobicContact CG1-CG2 3.73Å; V63-T70 HydrophobicContact CG2-CG2 4.18Å; T70-F72 HydrophobicContact CG2-CD1 3.95Å; T70-F72 HydrophobicContact CG2-CE1 3.49Å; T70-F72 VanDerWaalsContact CG2-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CZ 4.47Å; T70-Y184 HydrophobicContact CG2-CD2 3.85Å; T70-Y184 HydrophobicContact CG2-CE2 3.95Å; T70-Y184 HydrophobicContact CG2-CG 4.5Å
71	T	94.7	Very high	88.8	Confident	50 Å²	50	52.7 Å²	52.7	31%	0.307	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.6	176.7	-56.1	0	0	0	0	109	S20 L21 R58 I59	S20-T71 CarbonylContact C-O 3.59Å; S20-T71 VanDerWaalsContact CA-O 3.26Å; S20-T71 WeakPolarHBondContact CA-O 3.47Å; S20-T71 PolarHBondContact OG-O 3.11Å; L21-T71 PolarHBondContact N-O 3.21Å; R58-T71 HydrophobicContact CB-CG2 4.21Å; R58-T71 HydrophobicContact CG-CG2 4.43Å; I59-T71 WeakPolarHBondContact O-CA 3.33Å
72	F	96.3	Very high	89.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.4	167.9	-70.7	11.1	0	0	0	108.6	L21 V23 R58 I59 V61 T70 V74 L180 L183 Y184	L21-F72 HydrophobicContact CB-CD1 3.93Å; L21-F72 HydrophobicContact CB-CE1 4.23Å; L21-F72 HydrophobicContact CD1-CD1 4.11Å; L21-F72 HydrophobicContact CD1-CE1 3.61Å; L21-F72 HydrophobicContact CD1-CZ 4.44Å; L21-F72 HydrophobicContact CG-CD1 4.5Å; L21-F72 HydrophobicContact CG-CE1 4.45Å; L21-F72 CarbonylContact O-C 3.54Å; L21-F72 WeakPolarHBondContact O-CA 3.46Å; V23-F72 HydrophobicContact CB-CD2 4.36Å; V23-F72 HydrophobicContact CG2-CB 4.36Å; V23-F72 HydrophobicContact CG2-CD2 3.74Å; V23-F72 HydrophobicContact CG2-CE2 4.13Å; V23-F72 HydrophobicContact CG2-CG 4Å; R58-F72 WeakPolarHBondContact CA-O 3.48Å; I59-F72 HydrophobicContact CD1-CB 4.44Å; I59-F72 HydrophobicContact CG1-CB 3.84Å; I59-F72 PolarHBondContact N-O 3.32Å; I59-F72 PolarHBondContact O-N 3.19Å; V61-F72 HydrophobicContact CB-CE1 4.47Å; V61-F72 HydrophobicContact CG2-CD1 4.1Å; V61-F72 HydrophobicContact CG2-CD2 3.9Å; V61-F72 HydrophobicContact CG2-CE1 4.23Å; V61-F72 HydrophobicContact CG2-CE2 4.06Å; V61-F72 HydrophobicContact CG2-CG 3.94Å; V61-F72 HydrophobicContact CG2-CZ 4.23Å; T70-F72 HydrophobicContact CG2-CD1 3.95Å; T70-F72 HydrophobicContact CG2-CE1 3.49Å; T70-F72 VanDerWaalsContact CG2-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CZ 4.47Å; F72-V74 HydrophobicContact CB-CG2 3.81Å; F72-L180 HydrophobicContact CD2-CD2 4.46Å; F72-L180 HydrophobicContact CE2-CB 4.39Å; F72-L180 HydrophobicContact CE2-CD2 4.11Å; F72-L183 HydrophobicContact CE2-CD2 4.11Å; F72-Y184 HydrophobicContact CE1-CD2 4.29Å
73	Q	96.9	Very high	89.4	Confident	37 Å²	37	59.4 Å²	59.4	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	99.3	165.2	-177.6	88.9	53	0	0	106.1	S20 L21 V23 T56 E57	S20-Q73 WeakPolarHBondContact OG-CB 3.47Å; S20-Q73 PolarHBondContact OG-N 3.17Å; S20-Q73 VanDerWaalsContact OG-N 3.07Å; L21-Q73 PolarHBondContact O-N 3.3Å; V23-Q73 PolarHBondContact N-O 3.01Å; T56-Q73 HydrophobicContact CG2-CG 4.43Å; E57-Q73 CarbonylContact O-C 3.54Å
74	V	97.8	Very high	90	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.5	-172.6	-174.9	0	0	0	0	110	V23 V25 L37 T56 E57 I59 F72	V23-V74 CarbonylContact O-C 3.59Å; V23-V74 VanDerWaalsContact O-CA 3.28Å; V23-V74 WeakPolarHBondContact O-CA 3.41Å; V25-V74 HydrophobicContact CB-CG1 4.43Å; V25-V74 HydrophobicContact CG2-CG1 3.43Å; V25-V74 VanDerWaalsContact CG2-CG1 3.43Å; L37-V74 HydrophobicContact CD1-CB 4Å; L37-V74 HydrophobicContact CD1-CG1 3.94Å; L37-V74 HydrophobicContact CD1-CG2 4.3Å; L37-V74 HydrophobicContact CD2-CG1 4.4Å; T56-V74 CarbonylContact C-O 3.59Å; T56-V74 WeakPolarHBondContact CA-O 3.43Å; E57-V74 PolarHBondContact N-O 3.29Å; E57-V74 PolarHBondContact O-N 3.14Å; I59-V74 HydrophobicContact CD1-CG2 3.86Å; I59-V74 HydrophobicContact CG1-CG2 3.85Å; F72-V74 HydrophobicContact CB-CG2 3.81Å
75	W	97.7	Very high	91	Very high	68 Å²	68	60.6 Å²	60.6	26%	0.258	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.8	168.5	-63.5	74.8	0	0	0	108.7	H22 V23 V24 V25 F54 N55 T56 Y90	H22-W75 AromaticContact CD2-CD1 3.31Å; H22-W75 AromaticContact CD2-NE1 3.33Å; H22-W75 PolarHBondContact CD2-NE1 3.05Å; H22-W75 VanDerWaalsContact CD2-NE1 3.33Å; H22-W75 AromaticContact NE2-CD1 3.11Å; H22-W75 AromaticContact NE2-CG 3.97Å; H22-W75 AromaticContact NE2-NE1 3.15Å; H22-W75 PolarHBondContact NE2-NE1 3.45Å; H22-W75 VanDerWaalsContact NE2-NE1 3.15Å; V23-W75 PolarHBondContact O-N 2.92Å; V24-W75 CarbonylContact C-O 3.6Å; V24-W75 WeakPolarHBondContact CA-O 3.46Å; V24-W75 HydrophobicContact CG2-CB 4.33Å; V25-W75 PolarHBondContact N-O 2.75Å; F54-W75 AromaticContact CD2-CE3 3.58Å; F54-W75 HydrophobicContact CD2-CE3 3.58Å; F54-W75 AromaticContact CD2-CZ3 3.68Å; F54-W75 HydrophobicContact CD2-CZ3 3.68Å; F54-W75 AromaticContact CE2-CE3 3.78Å; F54-W75 HydrophobicContact CE2-CE3 3.78Å; F54-W75 HydrophobicContact CE2-CH2 4.41Å; F54-W75 AromaticContact CE2-CZ3 3.35Å; F54-W75 HydrophobicContact CE2-CZ3 3.35Å; F54-W75 HydrophobicContact CG-CE3 4.45Å; F54-W75 HydrophobicContact CZ-CZ3 4.08Å; N55-W75 WeakPolarHBondContact O-CA 3.42Å; T56-W75 HydrophobicContact CG2-CD2 4.15Å; T56-W75 HydrophobicContact CG2-CZ2 4.28Å; T56-W75 WeakPolarHBondContact OG1-CZ3 3.23Å; W75-Y90 HydrophobicContact CD2-CD1 4.2Å; W75-Y90 HydrophobicContact CD2-CE1 4.48Å; W75-Y90 AromaticContact CE3-CD1 3.59Å; W75-Y90 HydrophobicContact CE3-CD1 3.59Å; W75-Y90 AromaticContact CE3-CE1 3.46Å; W75-Y90 HydrophobicContact CE3-CE1 3.46Å; W75-Y90 VanDerWaalsContact CE3-CE1 3.46Å; W75-Y90 HydrophobicContact CZ3-CD1 4.14Å; W75-Y90 AromaticContact CZ3-CE1 3.65Å; W75-Y90 HydrophobicContact CZ3-CE1 3.65Å
76	D	97.1	Very high	92.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.1	173.1	170	35.9	0	0	0	109	K33 T34 L37 F54 N55	K33-D76 VanDerWaalsContact CB-OD1 3.27Å; K33-D76 WeakPolarHBondContact CB-OD1 3.47Å; T34-D76 WeakPolarHBondContact CA-OD2 3.24Å; T34-D76 VanDerWaalsContact CB-OD2 3.29Å; T34-D76 WeakPolarHBondContact CB-OD2 3.33Å; T34-D76 PolarHBondContact OG1-OD2 2.69Å; L37-D76 HydrophobicContact CD2-CB 3.75Å; F54-D76 CarbonylContact C-O 3.58Å; F54-D76 WeakPolarHBondContact CA-O 3.41Å; F54-D76 WeakPolarHBondContact CB-O 3.48Å; N55-D76 HydrophobicContact CB-CB 4.4Å; N55-D76 PolarHBondContact N-O 2.98Å; N55-D76 PolarHBondContact O-N 3.41Å
77	V	97.7	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.3	-174.1	-168	0	0	0	0	110	V24 V25 I26 K33 G79 L86 Y90	V24-V77 HydrophobicContact CG1-CG2 4.02Å; V25-V77 PolarHBondContact O-N 3.31Å; V25-V77 VanDerWaalsContact O-N 3.09Å; I26-V77 HydrophobicContact CG2-CB 4.16Å; I26-V77 HydrophobicContact CG2-CG2 4.31Å; K33-V77 WeakPolarHBondContact CE-O 3.5Å; V77-G79 PolarHBondContact O-N 3.16Å; V77-L86 HydrophobicContact CG1-CB 4.44Å; V77-Y90 HydrophobicContact CG1-CD2 3.99Å; V77-Y90 HydrophobicContact CG1-CE2 4.39Å; V77-Y90 HydrophobicContact CG2-CD1 4.32Å; V77-Y90 HydrophobicContact CG2-CD2 3.95Å; V77-Y90 HydrophobicContact CG2-CG 3.74Å
78	G	96.5	Very high	95.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.24	C	C	.	.			trans	-54.7	137.1	179.7	0	0	0	0	0	112.7	G53 W87	G53-G78 PolarHBondContact O-N 2.81Å; G78-W87 PolarHBondContact O-NE1 3.03Å
79	G	96.9	Very high	95.7	Very high	4 Å²	4	47.5 Å²	47.5	4%	0.041	24%	0.243	C	C	.	.			trans	-97.2	-8.3	-173.2	0	0	0	0	0	116.1	G27 D29 V77 R84	G27-G79 VanDerWaalsContact O-CA 3.29Å; G27-G79 WeakPolarHBondContact O-CA 3.47Å; D29-G79 PolarHBondContact N-O 3.27Å; V77-G79 PolarHBondContact O-N 3.16Å; G79-R84 PolarHBondContact O-NE 3.38Å
80	Q	97	Very high	96.1	Very high	50 Å²	50	45.6 Å²	45.6	23%	0.234	23%	0.226	C	C	.	.	S	Bend	trans	-58.8	141.8	178.6	-66.3	175.3	38.6	0	0	109.6	D29 K82 L83 R84	D29-Q80 HydrophobicContact CB-CG 4.08Å; Q80-K82 VanDerWaalsContact C-N 3.27Å; Q80-K82 HydrophobicContact CB-CG 4.38Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.12Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 HydrophobicContact CB-CG 4.42Å; Q80-L83 WeakPolarHBondContact O-CA 3.23Å; Q80-L83 WeakPolarHBondContact O-CB 3.31Å; Q80-L83 PolarHBondContact O-N 3.29Å; Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 3.46Å
81	E	96.3	Very high	96.3	Very high	146 Å²	146	44.7 Å²	44.7	68%	0.682	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-44.5	-49.7	-177	-169.4	-177.7	-179.4	0	0	113.2	L83 R84 P85	E81-L83 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact O-N 3.09Å; E81-R84 PolarHBondContact O-N 3.3Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-P85 WeakPolarHBondContact O-CD 3.49Å
82	K	96.5	Very high	96.2	Very high	162 Å²	162	47.3 Å²	47.3	70%	0.704	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-60.1	-20.8	178	69.4	-177.5	176.1	-168.1	0	115.4	Q80	Q80-K82 VanDerWaalsContact C-N 3.27Å; Q80-K82 HydrophobicContact CB-CG 4.38Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.12Å
83	L	95.9	Very high	95.9	Very high	27 Å²	27	57.7 Å²	57.7	14%	0.141	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-97.5	-18.7	179.5	-61.7	-179.3	0	0	0	112.9	T51 Q80 E81 P85 L86	T51-L83 WeakPolarHBondContact O-CD1 3.29Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 HydrophobicContact CB-CG 4.42Å; Q80-L83 WeakPolarHBondContact O-CA 3.23Å; Q80-L83 WeakPolarHBondContact O-CB 3.31Å; Q80-L83 PolarHBondContact O-N 3.29Å; E81-L83 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact O-N 3.09Å; L83-P85 VanDerWaalsContact C-N 3.28Å; L83-L86 HydrophobicContact CD2-CD1 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.16Å; L83-L86 WeakPolarHBondContact O-CG 3.24Å; L83-L86 PolarHBondContact O-N 2.9Å
84	R	97.1	Very high	95.9	Very high	11 Å²	11	56.1 Å²	56.1	4%	0.042	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.8	-27.2	-178.9	-56.5	-174.7	-165.8	154.1	2.7	115	D29 G79 Q80 E81 L86 W87 E111 E115 R118	D29-R84 IonicContact OD1-NH2 3.86Å; D29-R84 PolarHBondContact OD1-NH2 3.48Å; G79-R84 PolarHBondContact O-NE 3.38Å; Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 3.46Å; E81-R84 PolarHBondContact O-N 3.3Å; E81-R84 VanDerWaalsContact O-N 3.11Å; R84-L86 PolarHBondContact O-N 3.07Å; R84-W87 HydrophobicContact CB-CD2 4.22Å; R84-W87 HydrophobicContact CB-CZ2 4.38Å; R84-W87 HydrophobicContact CG-CD2 4.43Å; R84-W87 HydrophobicContact CG-CH2 4.14Å; R84-W87 HydrophobicContact CG-CZ2 3.71Å; R84-W87 WeakPolarHBondContact O-CB 3.42Å; R84-W87 PolarHBondContact O-N 3.48Å; R84-W87 VanDerWaalsContact O-N 3.15Å; R84-E111 IonicContact CZ-OE1 3.2Å; R84-E111 IonicContact NH1-OE1 2.8Å; R84-E111 PolarHBondContact NH1-OE1 3.11Å; R84-E111 IonicContact NH2-OE1 3.05Å; R84-E111 PolarHBondContact NH2-OE1 2.91Å; R84-E115 IonicContact NH1-OE1 2.91Å; R84-R118 PolarHBondContact O-NH2 2.86Å
85	P	95.7	Very high	95.9	Very high	86 Å²	86	57.6 Å²	57.6	56%	0.558	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28.4	170.1	-28.9	37.4	0	0	0	113.8	E81 L83 W87	E81-P85 WeakPolarHBondContact O-CD 3.49Å; L83-P85 VanDerWaalsContact C-N 3.28Å; P85-W87 VanDerWaalsContact C-N 3.29Å; P85-W87 PolarHBondContact O-N 3.21Å
86	L	94.8	Very high	95.9	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.346	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-69.3	-25.4	178.9	-60.2	176.8	0	0	0	112.8	V77 L83 R84 K88 S89 Y90	V77-L86 HydrophobicContact CG1-CB 4.44Å; L83-L86 HydrophobicContact CD2-CD1 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.16Å; L83-L86 WeakPolarHBondContact O-CG 3.24Å; L83-L86 PolarHBondContact O-N 2.9Å; R84-L86 PolarHBondContact O-N 3.07Å; L86-K88 PolarHBondContact O-N 3.1Å; L86-K88 VanDerWaalsContact O-N 3.16Å; L86-S89 WeakPolarHBondContact O-CA 3.42Å; L86-S89 WeakPolarHBondContact O-CB 3.32Å; L86-S89 PolarHBondContact O-N 3.23Å; L86-Y90 HydrophobicContact CB-CD2 4.17Å; L86-Y90 HydrophobicContact CB-CE2 4.05Å; L86-Y90 VanDerWaalsContact O-CD2 3.3Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 3.44Å
87	W	97.3	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.6	-38.1	-177	-65.1	3	0	0	0	112.4	I26 G27 L28 G78 R84 P85 S89 Y90 T91 F99 E115 I119	I26-W87 HydrophobicContact CB-CD2 3.97Å; I26-W87 HydrophobicContact CB-CE3 4.23Å; I26-W87 HydrophobicContact CB-CG 4.34Å; I26-W87 HydrophobicContact CB-CZ2 4.35Å; I26-W87 HydrophobicContact CB-CZ3 4.47Å; I26-W87 HydrophobicContact CD1-CD2 4.17Å; I26-W87 HydrophobicContact CD1-CE3 3.76Å; I26-W87 HydrophobicContact CD1-CZ3 4.19Å; I26-W87 HydrophobicContact CG1-CE3 4.46Å; I26-W87 HydrophobicContact CG2-CB 4.34Å; I26-W87 HydrophobicContact CG2-CD2 4.08Å; I26-W87 HydrophobicContact CG2-CG 3.91Å; G27-W87 WeakPolarHBondContact O-CZ2 3.24Å; L28-W87 HydrophobicContact CD2-CH2 4.48Å; G78-W87 PolarHBondContact O-NE1 3.03Å; R84-W87 HydrophobicContact CB-CD2 4.22Å; R84-W87 HydrophobicContact CB-CZ2 4.38Å; R84-W87 HydrophobicContact CG-CD2 4.43Å; R84-W87 HydrophobicContact CG-CH2 4.14Å; R84-W87 HydrophobicContact CG-CZ2 3.71Å; R84-W87 WeakPolarHBondContact O-CB 3.42Å; R84-W87 PolarHBondContact O-N 3.48Å; R84-W87 VanDerWaalsContact O-N 3.15Å; P85-W87 VanDerWaalsContact C-N 3.29Å; P85-W87 PolarHBondContact O-N 3.21Å; W87-S89 PolarHBondContact O-N 3.31Å; W87-Y90 PolarHBondContact O-N 2.92Å; W87-T91 WeakPolarHBondContact O-CB 3.43Å; W87-T91 VanDerWaalsContact O-CG2 3.29Å; W87-T91 WeakPolarHBondContact O-CG2 3.35Å; W87-T91 PolarHBondContact O-N 3.29Å; W87-T91 PolarHBondContact O-OG1 3.1Å; W87-F99 HydrophobicContact CZ3-CE2 4.16Å; W87-E115 HydrophobicContact CH2-CB 4.43Å; W87-E115 HydrophobicContact CZ3-CB 3.87Å; W87-E115 HydrophobicContact CZ3-CG 4.4Å; W87-I119 HydrophobicContact CB-CD1 3.69Å; W87-I119 HydrophobicContact CB-CG1 4.4Å; W87-I119 HydrophobicContact CE3-CD1 4.23Å; W87-I119 HydrophobicContact CE3-CG1 3.85Å
88	K	94.8	Very high	96	Very high	120 Å²	120	54.8 Å²	54.8	52%	0.522	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-36.2	175.5	-172.8	180	-175.5	-179.8	0	111.9	L86 R92	L86-K88 PolarHBondContact O-N 3.1Å; L86-K88 VanDerWaalsContact O-N 3.16Å; K88-R92 WeakPolarHBondContact O-CG 3.38Å
89	S	94	Very high	96.1	Very high	56 Å²	56	54.8 Å²	54.8	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-75.1	-40.2	-178.6	-72.2	0	0	0	0	113	L86 W87 R92	L86-S89 WeakPolarHBondContact O-CA 3.42Å; L86-S89 WeakPolarHBondContact O-CB 3.32Å; L86-S89 PolarHBondContact O-N 3.23Å; W87-S89 PolarHBondContact O-N 3.31Å; S89-R92 VanDerWaalsContact CA-NH2 3.31Å; S89-R92 VanDerWaalsContact CB-NH2 3.28Å; S89-R92 PolarHBondContact OG-NH2 3.32Å
90	Y	95.4	Very high	96.2	Very high	50 Å²	50	54.6 Å²	54.6	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-77.7	-33.8	-178.7	-73	-81.4	0	0	0	113	V24 F54 W75 V77 L86 W87 R92	V24-Y90 VanDerWaalsContact CG2-O 3.3Å; V24-Y90 WeakPolarHBondContact CG2-O 3.2Å; F54-Y90 HydrophobicContact CB-CE1 4.28Å; F54-Y90 HydrophobicContact CD1-CE1 4.1Å; F54-Y90 AromaticContact CD1-CZ 3.63Å; F54-Y90 WeakPolarHBondContact CD1-OH 3.33Å; F54-Y90 HydrophobicContact CD2-CE1 4.15Å; F54-Y90 HydrophobicContact CE1-CE1 4.48Å; F54-Y90 WeakPolarHBondContact CE1-OH 3.49Å; F54-Y90 AromaticContact CG-CE1 3.9Å; F54-Y90 HydrophobicContact CG-CE1 3.9Å; F54-Y90 AromaticContact CG-CZ 3.82Å; W75-Y90 HydrophobicContact CD2-CD1 4.2Å; W75-Y90 HydrophobicContact CD2-CE1 4.48Å; W75-Y90 AromaticContact CE3-CD1 3.59Å; W75-Y90 HydrophobicContact CE3-CD1 3.59Å; W75-Y90 AromaticContact CE3-CE1 3.46Å; W75-Y90 HydrophobicContact CE3-CE1 3.46Å; W75-Y90 VanDerWaalsContact CE3-CE1 3.46Å; W75-Y90 HydrophobicContact CZ3-CD1 4.14Å; W75-Y90 AromaticContact CZ3-CE1 3.65Å; W75-Y90 HydrophobicContact CZ3-CE1 3.65Å; V77-Y90 HydrophobicContact CG1-CD2 3.99Å; V77-Y90 HydrophobicContact CG1-CE2 4.39Å; V77-Y90 HydrophobicContact CG2-CD1 4.32Å; V77-Y90 HydrophobicContact CG2-CD2 3.95Å; V77-Y90 HydrophobicContact CG2-CG 3.74Å; L86-Y90 HydrophobicContact CB-CD2 4.17Å; L86-Y90 HydrophobicContact CB-CE2 4.05Å; L86-Y90 VanDerWaalsContact O-CD2 3.3Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 3.44Å; W87-Y90 PolarHBondContact O-N 2.92Å; Y90-R92 PolarHBondContact O-N 2.93Å
91	T	96.4	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.6	-14.6	-179.4	52.8	0	0	0	0	114.1	V24 I26 W87 R93 T94 L97 I119 N125	V24-T91 HydrophobicContact CB-CG2 4.36Å; V24-T91 HydrophobicContact CG1-CG2 4.04Å; I26-T91 HydrophobicContact CD1-CG2 4.26Å; W87-T91 WeakPolarHBondContact O-CB 3.43Å; W87-T91 VanDerWaalsContact O-CG2 3.29Å; W87-T91 WeakPolarHBondContact O-CG2 3.35Å; W87-T91 PolarHBondContact O-N 3.29Å; W87-T91 PolarHBondContact O-OG1 3.1Å; T91-R93 PolarHBondContact O-N 3.26Å; T91-T94 WeakPolarHBondContact O-CB 3.44Å; T91-T94 VanDerWaalsContact O-CG2 3.23Å; T91-T94 WeakPolarHBondContact O-CG2 3.21Å; T91-T94 PolarHBondContact O-N 2.88Å; T91-L97 HydrophobicContact CG2-CD1 3.63Å; T91-I119 HydrophobicContact CG2-CG2 4.06Å; T91-N125 PolarHBondContact O-OD1 2.95Å; T91-N125 VanDerWaalsContact O-OD1 3.1Å; T91-N125 PolarHBondContact OG1-ND2 2.88Å
92	R	91.8	Very high	96.4	Very high	106 Å²	106	46.3 Å²	46.3	40%	0.4	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	129.8	176.8	-80.4	-170.3	-71.7	-110.4	3	111.7	K88 S89 Y90 T94 E124	K88-R92 WeakPolarHBondContact O-CG 3.38Å; S89-R92 VanDerWaalsContact CA-NH2 3.31Å; S89-R92 VanDerWaalsContact CB-NH2 3.28Å; S89-R92 PolarHBondContact OG-NH2 3.32Å; Y90-R92 PolarHBondContact O-N 2.93Å; R92-T94 PolarHBondContact O-N 3.45Å; R92-T94 VanDerWaalsContact O-N 3.1Å; R92-E124 HydrophobicContact CG-CB 3.92Å; R92-E124 HydrophobicContact CG-CG 3.84Å
93	R	90.6	Very high	96.5	Very high	218 Å²	218	38.6 Å²	38.6	82%	0.823	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.7	176.4	-54.8	-179.9	-178.8	174.2	-0.1	113.3	T91	T91-R93 PolarHBondContact O-N 3.26Å
94	T	96.7	Very high	96.7	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.025	18%	0.183	C	C	.	.			trans	-71.2	145.9	170.3	-166.9	0	0	0	0	110.6	H22 T91 R92 G96 V128	H22-T94 PolarHBondContact O-OG1 3.33Å; T91-T94 WeakPolarHBondContact O-CB 3.44Å; T91-T94 VanDerWaalsContact O-CG2 3.23Å; T91-T94 WeakPolarHBondContact O-CG2 3.21Å; T91-T94 PolarHBondContact O-N 2.88Å; R92-T94 PolarHBondContact O-N 3.45Å; R92-T94 VanDerWaalsContact O-N 3.1Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact OG1-O 3.11Å; T94-V128 HydrophobicContact CG2-CG1 3.57Å; T94-V128 HydrophobicContact CG2-CG2 4.29Å
95	D	97.6	Very high	96.7	Very high	35 Å²	35	40.8 Å²	40.8	19%	0.187	20%	0.195	C	C	.	.	S	Bend	trans	-70	-37.8	171.6	-72.8	-62.6	0	0	0	110.1	L21 H22 P129 I187 K191	L21-D95 WeakPolarHBondContact CA-OD2 3.29Å; L21-D95 HydrophobicContact CB-CB 4.46Å; L21-D95 HydrophobicContact CD2-CB 4.28Å; H22-D95 PolarHBondContact N-OD2 3.25Å; H22-D95 WeakPolarHBondContact O-CB 3.39Å; H22-D95 PolarHBondContact O-N 2.91Å; D95-P129 VanDerWaalsContact O-CD 3.23Å; D95-P129 WeakPolarHBondContact O-CD 3.44Å; D95-I187 HydrophobicContact CB-CD1 4.15Å; D95-I187 HydrophobicContact CB-CG1 4.47Å; D95-I187 HydrophobicContact CB-CG2 4.05Å; D95-I187 WeakPolarHBondContact O-CG1 3.34Å; D95-K191 WeakPolarHBondContact OD1-CE 3.3Å; D95-K191 IonicContact OD1-NZ 3.01Å; D95-K191 PolarHBondContact OD1-NZ 3.42Å; D95-K191 IonicContact OD2-NZ 2.6Å
96	G	98.1	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	153.6	179.7	0	0	0	0	0	113.7	V23 V24 T94	V23-G96 WeakPolarHBondContact CA-O 3.41Å; V24-G96 PolarHBondContact N-O 3.38Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact OG1-O 3.11Å
97	L	98.6	Very high	96.9	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.4	-178.4	-173.5	67.1	0	0	0	110	V24 I26 T91 I119 V128 P129 I130 L131	V24-L97 HydrophobicContact CB-CD1 4.23Å; I26-L97 HydrophobicContact CD1-CD1 3.79Å; I26-L97 HydrophobicContact CD1-CD2 4.18Å; I26-L97 HydrophobicContact CD1-CG 4.42Å; I26-L97 HydrophobicContact CG1-CD1 3.79Å; I26-L97 HydrophobicContact CG1-CG 4.41Å; T91-L97 HydrophobicContact CG2-CD1 3.63Å; L97-I119 HydrophobicContact CD2-CG2 4.11Å; L97-V128 HydrophobicContact CB-CG1 4.16Å; L97-P129 PolarHBondContact N-O 2.89Å; L97-I130 HydrophobicContact CB-CG1 4.27Å; L97-I130 HydrophobicContact CD2-CD1 4.18Å; L97-I130 HydrophobicContact CD2-CG1 4.13Å; L97-I130 HydrophobicContact CD2-CG2 4.32Å; L97-I130 CarbonylContact O-C 3.57Å; L97-I130 WeakPolarHBondContact O-CA 3.38Å; L97-L131 PolarHBondContact O-N 2.96Å
98	V	98.8	Very high	96.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.6	165.1	-179.6	0	0	0	0	107.8	V23 V24 V25 I26 V100 L131 L133 L183	V23-V98 HydrophobicContact CG1-CG2 3.84Å; V24-V98 PolarHBondContact O-N 2.94Å; V25-V98 WeakPolarHBondContact CA-O 3.48Å; V25-V98 HydrophobicContact CB-CB 4.43Å; V25-V98 HydrophobicContact CG1-CB 4.44Å; V25-V98 HydrophobicContact CG1-CG1 4.33Å; V25-V98 HydrophobicContact CG2-CB 3.95Å; V25-V98 HydrophobicContact CG2-CG1 4.4Å; V25-V98 HydrophobicContact CG2-CG2 4.34Å; I26-V98 PolarHBondContact N-O 3.43Å; V98-V100 HydrophobicContact CG1-CG2 3.99Å; V98-L131 CarbonylContact C-O 3.46Å; V98-L131 VanDerWaalsContact CA-O 3.32Å; V98-L131 WeakPolarHBondContact CA-O 3.49Å; V98-L131 HydrophobicContact CG2-CB 4.45Å; V98-L131 HydrophobicContact CG2-CD2 4.24Å; V98-L133 HydrophobicContact CG1-CD1 3.66Å; V98-L133 HydrophobicContact CG1-CG 3.93Å; V98-L183 HydrophobicContact CG2-CD2 3.61Å
99	F	98.9	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.7	174.2	-167	-94.9	0	0	0	109	I26 W87 V101 A112 L116 I130 L131 V132 L133	I26-F99 HydrophobicContact CD1-CD2 4.14Å; I26-F99 HydrophobicContact CG1-CD2 3.85Å; I26-F99 HydrophobicContact CG1-CE2 4.44Å; I26-F99 CarbonylContact O-C 3.52Å; I26-F99 WeakPolarHBondContact O-CA 3.2Å; W87-F99 HydrophobicContact CZ3-CE2 4.16Å; F99-V101 HydrophobicContact CD1-CG2 3.63Å; F99-V101 HydrophobicContact CE1-CG2 3.52Å; F99-A112 HydrophobicContact CE1-CB 4.13Å; F99-A112 HydrophobicContact CZ-CB 4.26Å; F99-A112 VanDerWaalsContact CZ-O 3.24Å; F99-A112 WeakPolarHBondContact CZ-O 3.3Å; F99-L116 HydrophobicContact CB-CD1 4.04Å; F99-L116 HydrophobicContact CD1-CB 4.37Å; F99-L116 HydrophobicContact CD1-CD1 4.23Å; F99-L116 HydrophobicContact CD1-CD2 4.41Å; F99-L116 HydrophobicContact CD2-CB 4.23Å; F99-L116 HydrophobicContact CD2-CD1 3.78Å; F99-L116 HydrophobicContact CE1-CB 4.02Å; F99-L116 HydrophobicContact CE2-CB 3.91Å; F99-L116 HydrophobicContact CE2-CD1 4.32Å; F99-L116 HydrophobicContact CG-CB 4.48Å; F99-L116 HydrophobicContact CG-CD1 3.76Å; F99-L116 HydrophobicContact CZ-CB 3.8Å; F99-I130 HydrophobicContact CB-CG2 4.33Å; F99-L131 PolarHBondContact N-O 3.3Å; F99-V132 HydrophobicContact CB-CG2 4.42Å; F99-V132 CarbonylContact O-C 3.54Å; F99-V132 VanDerWaalsContact O-CA 3.3Å; F99-V132 WeakPolarHBondContact O-CA 3.44Å; F99-L133 PolarHBondContact O-N 3.48Å
100	V	98.9	Very high	97.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.9	-177.3	-173.1	0	0	0	0	109.7	V25 I26 G27 A31 K33 L36 V98 L133 N135	V25-V100 HydrophobicContact CG1-CG2 3.71Å; I26-V100 PolarHBondContact O-N 3.34Å; G27-V100 WeakPolarHBondContact CA-O 3.44Å; A31-V100 HydrophobicContact CB-CB 4.37Å; A31-V100 HydrophobicContact CB-CG1 4.02Å; A31-V100 VanDerWaalsContact O-CG1 3.26Å; A31-V100 WeakPolarHBondContact O-CG1 3.3Å; K33-V100 HydrophobicContact CG-CB 3.8Å; K33-V100 HydrophobicContact CG-CG1 4.42Å; K33-V100 HydrophobicContact CG-CG2 3.84Å; L36-V100 HydrophobicContact CD1-CB 4.21Å; L36-V100 HydrophobicContact CD1-CG1 3.38Å; L36-V100 HydrophobicContact CD1-CG2 3.7Å; V98-V100 HydrophobicContact CG1-CG2 3.99Å; V100-L133 HydrophobicContact CG2-CB 4.4Å; V100-N135 HydrophobicContact CG1-CB 3.89Å
101	V	98.7	Very high	97.4	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.5	176.6	178.4	0	0	0	0	109.1	F99 A103 M109 A112 V132 L133 N135 V148 L152	F99-V101 HydrophobicContact CD1-CG2 3.63Å; F99-V101 HydrophobicContact CE1-CG2 3.52Å; V101-A103 PolarHBondContact O-N 3.1Å; V101-M109 HydrophobicContact CG1-CE 3.61Å; V101-M109 HydrophobicContact CG1-SD 3.6Å; V101-A112 HydrophobicContact CG2-CB 4.48Å; V101-V132 HydrophobicContact CG2-CG1 4.41Å; V101-L133 PolarHBondContact N-O 2.87Å; V101-N135 WeakPolarHBondContact O-CB 3.19Å; V101-N135 PolarHBondContact O-N 3.32Å; V101-V148 HydrophobicContact CB-CG1 4.33Å; V101-V148 HydrophobicContact CG1-CG1 4.29Å; V101-L152 HydrophobicContact CG2-CD1 3.94Å; V101-L152 HydrophobicContact CG2-CD2 4.41Å
102	D	98.6	Very high	97.5	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	105.4	164.4	-170.4	-15.3	0	0	0	108.8	A104 E105 K136	D102-A104 PolarHBondContact O-N 2.95Å; D102-A104 WeakPolarHBondContact OD1-CB 3.38Å; D102-A104 PolarHBondContact OD1-N 2.76Å; D102-E105 HydrophobicContact CB-CB 4.01Å; D102-E105 PolarHBondContact O-N 2.94Å; D102-K136 VanDerWaalsContact OD1-CD 3.32Å; D102-K136 WeakPolarHBondContact OD1-CD 3.42Å; D102-K136 IonicContact OD1-NZ 2.71Å; D102-K136 WeakPolarHBondContact OD2-CE 3.19Å; D102-K136 IonicContact OD2-NZ 2.77Å; D102-K136 PolarHBondContact OD2-NZ 2.91Å
103	A	98.8	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.9	-179.1	0	0	0	0	0	112.8	V101 A134 N135 A142 V143 V148	V101-A103 PolarHBondContact O-N 3.1Å; A103-A134 HydrophobicContact CB-CB 4.3Å; A103-N135 WeakPolarHBondContact CB-O 3.4Å; A103-N135 PolarHBondContact N-O 3.48Å; A103-A142 HydrophobicContact CB-CB 4.17Å; A103-A142 WeakPolarHBondContact O-CA 3.39Å; A103-V143 HydrophobicContact CB-CG2 4.47Å; A103-V143 WeakPolarHBondContact O-CG2 3.32Å; A103-V143 PolarHBondContact O-N 3.48Å; A103-V148 HydrophobicContact CB-CG2 4.09Å
104	A	98.5	Very high	98.2	Very high	22 Å²	22	37.5 Å²	37.5	18%	0.182	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.6	178.3	0	0	0	0	0	113.4	D102 L139 S141 A142	D102-A104 PolarHBondContact O-N 2.95Å; D102-A104 WeakPolarHBondContact OD1-CB 3.38Å; D102-A104 PolarHBondContact OD1-N 2.76Å; A104-L139 HydrophobicContact CB-CB 4.2Å; A104-L139 HydrophobicContact CB-CD1 3.67Å; A104-S141 WeakPolarHBondContact CB-OG 3.5Å; A104-A142 HydrophobicContact CB-CB 4.37Å
105	E	97.6	Very high	98.3	Very high	63 Å²	63	38.5 Å²	38.5	29%	0.294	20%	0.195	S	C	.	.			trans	-121.4	72.4	-173.3	-166.6	-172.7	-143.4	0	0	111	D102 E107 R108	D102-E105 HydrophobicContact CB-CB 4.01Å; D102-E105 PolarHBondContact O-N 2.94Å; E105-E107 PolarHBondContact O-N 3.48Å; E105-R108 HydrophobicContact CG-CG 4.49Å; E105-R108 PolarHBondContact O-N 3.5Å; E105-R108 IonicContact OE1-CZ 2.81Å; E105-R108 IonicContact OE1-NE 3.5Å; E105-R108 PolarHBondContact OE1-NE 3.36Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 PolarHBondContact OE1-NH2 3.02Å; E105-R108 IonicContact OE2-CZ 3.09Å; E105-R108 IonicContact OE2-NE 3.69Å; E105-R108 PolarHBondContact OE2-NE 3.4Å; E105-R108 IonicContact OE2-NH2 2.63Å; E105-R108 PolarHBondContact OE2-NH2 2.94Å
106	T	96.4	Very high	98.4	Very high	80 Å²	80	36.9 Å²	36.9	49%	0.491	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.1	-174.6	53	0	0	0	0	113.7	R108 M109 V143	T106-R108 VanDerWaalsContact C-N 3.26Å; T106-R108 PolarHBondContact O-N 3.22Å; T106-M109 WeakPolarHBondContact O-CB 3.34Å; T106-M109 PolarHBondContact O-N 3.33Å; T106-M109 VanDerWaalsContact O-N 3.13Å; T106-V143 HydrophobicContact CG2-CG1 3.52Å; T106-V143 HydrophobicContact CG2-CG2 4.45Å
107	E	97.8	Very high	98.4	Very high	185 Å²	185	37.4 Å²	37.4	86%	0.864	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-61.7	-30.5	-180	-60.9	-175.4	174.9	0	0	113.2	E105	E105-E107 PolarHBondContact O-N 3.48Å
108	R	97.9	Very high	98.3	Very high	50 Å²	50	42.6 Å²	42.6	19%	0.189	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-95.5	7.6	178.6	-65.8	-158.5	-66.5	-172.5	-14.5	113.9	L28 D29 E105 T106 E110 E111 A112	L28-R108 HydrophobicContact CD1-CB 3.89Å; D29-R108 PolarHBondContact O-NH2 3.27Å; D29-R108 IonicContact OD1-NH1 3.96Å; D29-R108 IonicContact OD2-CZ 2.72Å; D29-R108 IonicContact OD2-NH1 2.62Å; D29-R108 PolarHBondContact OD2-NH1 3.3Å; E105-R108 HydrophobicContact CG-CG 4.49Å; E105-R108 PolarHBondContact O-N 3.5Å; E105-R108 IonicContact OE1-CZ 2.81Å; E105-R108 IonicContact OE1-NE 3.5Å; E105-R108 PolarHBondContact OE1-NE 3.36Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 PolarHBondContact OE1-NH2 3.02Å; E105-R108 IonicContact OE2-CZ 3.09Å; E105-R108 IonicContact OE2-NE 3.69Å; E105-R108 PolarHBondContact OE2-NE 3.4Å; E105-R108 IonicContact OE2-NH2 2.63Å; E105-R108 PolarHBondContact OE2-NH2 2.94Å; T106-R108 VanDerWaalsContact C-N 3.26Å; T106-R108 PolarHBondContact O-N 3.22Å; R108-E110 PolarHBondContact O-N 2.98Å; R108-E111 WeakPolarHBondContact CD-OE2 2.91Å; R108-E111 WeakPolarHBondContact O-CB 3.36Å; R108-E111 PolarHBondContact O-N 3.35Å; R108-A112 PolarHBondContact O-N 2.94Å
109	M	98.1	Very high	98.3	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-37.2	-176.1	-164.3	64.1	66	0	0	112.6	V101 T106 A112 K113 V143 V148 A151 L152	V101-M109 HydrophobicContact CG1-CE 3.61Å; V101-M109 HydrophobicContact CG1-SD 3.6Å; T106-M109 WeakPolarHBondContact O-CB 3.34Å; T106-M109 PolarHBondContact O-N 3.33Å; T106-M109 VanDerWaalsContact O-N 3.13Å; M109-A112 PolarHBondContact O-N 2.99Å; M109-K113 WeakPolarHBondContact O-CB 3.49Å; M109-K113 PolarHBondContact O-N 3.21Å; M109-V143 HydrophobicContact CE-CG2 4.49Å; M109-V148 HydrophobicContact CE-CG2 4.16Å; M109-V148 HydrophobicContact SD-CG1 4.36Å; M109-A151 HydrophobicContact CG-CB 3.35Å; M109-A151 HydrophobicContact SD-CB 4.21Å; M109-L152 HydrophobicContact SD-CD2 3.85Å; M109-L152 HydrophobicContact SD-CG 4.16Å
110	E	98.6	Very high	98.1	Very high	109 Å²	109	43 Å²	43	51%	0.509	21%	0.211	S	C	.	.	H	α-helix	trans	-67.2	-40.2	175.8	-175.9	58.3	-150	0	0	111.4	R108 A112 K113 V114	R108-E110 PolarHBondContact O-N 2.98Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 2.7Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 2.71Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 IonicContact OE2-NZ 3.84Å; E110-V114 WeakPolarHBondContact O-CG2 3.49Å; E110-V114 PolarHBondContact O-N 3.5Å
111	E	98.6	Very high	97.9	Very high	67 Å²	67	50 Å²	50	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-44.4	173.3	-176.3	-173.8	-176.1	0	0	111	L28 R84 R108 K113 V114 E115	L28-E111 HydrophobicContact CD1-CB 4.14Å; L28-E111 HydrophobicContact CD1-CG 4.03Å; L28-E111 HydrophobicContact CD2-CG 4.11Å; R84-E111 IonicContact CZ-OE1 3.2Å; R84-E111 IonicContact NH1-OE1 2.8Å; R84-E111 PolarHBondContact NH1-OE1 3.11Å; R84-E111 IonicContact NH2-OE1 3.05Å; R84-E111 PolarHBondContact NH2-OE1 2.91Å; R108-E111 WeakPolarHBondContact CD-OE2 2.91Å; R108-E111 WeakPolarHBondContact O-CB 3.36Å; R108-E111 PolarHBondContact O-N 3.35Å; E111-K113 PolarHBondContact O-N 3.12Å; E111-V114 PolarHBondContact O-N 3.09Å; E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.22Å; E111-E115 VanDerWaalsContact O-N 3.07Å
112	A	98.7	Very high	97.7	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-41.9	176.3	0	0	0	0	0	111.9	L28 F99 V101 R108 M109 E110 E115 L116 L152	L28-A112 HydrophobicContact CD1-CB 3.92Å; L28-A112 HydrophobicContact CG-CB 4.13Å; F99-A112 HydrophobicContact CE1-CB 4.13Å; F99-A112 HydrophobicContact CZ-CB 4.26Å; F99-A112 VanDerWaalsContact CZ-O 3.24Å; F99-A112 WeakPolarHBondContact CZ-O 3.3Å; V101-A112 HydrophobicContact CG2-CB 4.48Å; R108-A112 PolarHBondContact O-N 2.94Å; M109-A112 PolarHBondContact O-N 2.99Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 2.7Å; A112-E115 PolarHBondContact O-N 2.92Å; A112-L116 WeakPolarHBondContact O-CB 3.24Å; A112-L116 PolarHBondContact O-N 3.24Å; A112-L152 HydrophobicContact CB-CD2 4.02Å
113	K	98.8	Very high	97.4	Very high	45 Å²	45	54.1 Å²	54.1	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-53.8	174.1	174.8	-173.6	170.4	-174	0	111.1	M109 E110 E111 E115 L116 H117 L152 A153	M109-K113 WeakPolarHBondContact O-CB 3.49Å; M109-K113 PolarHBondContact O-N 3.21Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 2.71Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 IonicContact OE2-NZ 3.84Å; E111-K113 PolarHBondContact O-N 3.12Å; K113-E115 VanDerWaalsContact C-N 3.25Å; K113-E115 PolarHBondContact O-N 3.15Å; K113-L116 PolarHBondContact O-N 2.97Å; K113-H117 WeakPolarHBondContact O-CB 3.3Å; K113-H117 PolarHBondContact O-CD2 3.24Å; K113-H117 VanDerWaalsContact O-CD2 3.23Å; K113-H117 PolarHBondContact O-N 2.63Å; K113-L152 HydrophobicContact CB-CD2 4.13Å; K113-A153 HydrophobicContact CD-CB 4.33Å
114	V	98.6	Very high	97	Very high	81 Å²	81	58.6 Å²	58.6	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-54.5	-46.2	-179.1	168.8	0	0	0	0	110.5	E110 E111 H117 R118	E110-V114 WeakPolarHBondContact O-CG2 3.49Å; E110-V114 PolarHBondContact O-N 3.5Å; E111-V114 PolarHBondContact O-N 3.09Å; V114-H117 PolarHBondContact O-N 2.92Å; V114-R118 VanDerWaalsContact O-CB 3.31Å; V114-R118 WeakPolarHBondContact O-CB 3.26Å; V114-R118 PolarHBondContact O-N 3.28Å
115	E	98.6	Very high	96.8	Very high	26 Å²	26	57.9 Å²	57.9	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-41.5	-180	-75.5	-65.1	171.8	0	0	113.5	L28 R84 W87 E111 A112 K113 R118 I119	L28-E115 HydrophobicContact CD2-CG 4.27Å; R84-E115 IonicContact NH1-OE1 2.91Å; W87-E115 HydrophobicContact CH2-CB 4.43Å; W87-E115 HydrophobicContact CZ3-CB 3.87Å; W87-E115 HydrophobicContact CZ3-CG 4.4Å; E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.22Å; E111-E115 VanDerWaalsContact O-N 3.07Å; A112-E115 PolarHBondContact O-N 2.92Å; K113-E115 VanDerWaalsContact C-N 3.25Å; K113-E115 PolarHBondContact O-N 3.15Å; E115-R118 PolarHBondContact O-N 3.34Å; E115-R118 IonicContact OE1-CZ 3.98Å; E115-R118 IonicContact OE1-NE 3.74Å; E115-R118 IonicContact OE1-NH2 2.91Å; E115-R118 IonicContact OE2-CZ 3.88Å; E115-R118 IonicContact OE2-NE 3.77Å; E115-R118 PolarHBondContact OE2-NE 2.81Å; E115-R118 IonicContact OE2-NH2 3.99Å; E115-R118 PolarHBondContact OE2-NH2 3.25Å; E115-I119 WeakPolarHBondContact O-CG1 3.46Å; E115-I119 PolarHBondContact O-N 3.34Å
116	L	98.6	Very high	96.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-49.7	174.2	174.1	62.5	0	0	0	111.1	F99 A112 K113 R118 I119 S120 I130 L152 L154	F99-L116 HydrophobicContact CB-CD1 4.04Å; F99-L116 HydrophobicContact CD1-CB 4.37Å; F99-L116 HydrophobicContact CD1-CD1 4.23Å; F99-L116 HydrophobicContact CD1-CD2 4.41Å; F99-L116 HydrophobicContact CD2-CB 4.23Å; F99-L116 HydrophobicContact CD2-CD1 3.78Å; F99-L116 HydrophobicContact CE1-CB 4.02Å; F99-L116 HydrophobicContact CE2-CB 3.91Å; F99-L116 HydrophobicContact CE2-CD1 4.32Å; F99-L116 HydrophobicContact CG-CB 4.48Å; F99-L116 HydrophobicContact CG-CD1 3.76Å; F99-L116 HydrophobicContact CZ-CB 3.8Å; A112-L116 WeakPolarHBondContact O-CB 3.24Å; A112-L116 PolarHBondContact O-N 3.24Å; K113-L116 PolarHBondContact O-N 2.97Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 2.82Å; L116-I119 PolarHBondContact O-N 2.98Å; L116-S120 WeakPolarHBondContact O-CB 3.1Å; L116-S120 PolarHBondContact O-N 2.83Å; L116-S120 PolarHBondContact O-OG 2.81Å; L116-I130 HydrophobicContact CD1-CD1 4.21Å; L116-I130 HydrophobicContact CD1-CG2 4.11Å; L116-L152 HydrophobicContact CD2-CB 4.2Å; L116-L152 HydrophobicContact CD2-CD1 4.18Å; L116-L154 HydrophobicContact CD2-CD2 3.41Å; L116-L154 VanDerWaalsContact CD2-CD2 3.41Å
117	H	98.3	Very high	96.4	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-37.2	180	-83.4	-85.1	0	0	0	112.1	K113 V114 I119 S120 R121 L152 A153	K113-H117 WeakPolarHBondContact O-CB 3.3Å; K113-H117 PolarHBondContact O-CD2 3.24Å; K113-H117 VanDerWaalsContact O-CD2 3.23Å; K113-H117 PolarHBondContact O-N 2.63Å; V114-H117 PolarHBondContact O-N 2.92Å; H117-I119 PolarHBondContact O-N 2.75Å; H117-S120 WeakPolarHBondContact CA-OG 3.41Å; H117-S120 PolarHBondContact O-OG 3.15Å; H117-R121 PolarHBondContact ND1-NH2 2.83Å; H117-R121 WeakPolarHBondContact O-CB 3.29Å; H117-R121 WeakPolarHBondContact O-CG 3.35Å; H117-R121 PolarHBondContact O-N 3.33Å; H117-R121 VanDerWaalsContact O-N 3.08Å; H117-L152 PolarHBondContact NE2-O 3.13Å; H117-A153 PolarHBondContact NE2-O 2.97Å
118	R	97.3	Very high	96.4	Very high	113 Å²	113	46.8 Å²	46.8	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-44.9	174.3	-174.1	179.6	73.2	117.3	2.8	111.7	R84 V114 E115 L116	R84-R118 PolarHBondContact O-NH2 2.86Å; V114-R118 VanDerWaalsContact O-CB 3.31Å; V114-R118 WeakPolarHBondContact O-CB 3.26Å; V114-R118 PolarHBondContact O-N 3.28Å; E115-R118 PolarHBondContact O-N 3.34Å; E115-R118 IonicContact OE1-CZ 3.98Å; E115-R118 IonicContact OE1-NE 3.74Å; E115-R118 IonicContact OE1-NH2 2.91Å; E115-R118 IonicContact OE2-CZ 3.88Å; E115-R118 IonicContact OE2-NE 3.77Å; E115-R118 PolarHBondContact OE2-NE 2.81Å; E115-R118 IonicContact OE2-NH2 3.99Å; E115-R118 PolarHBondContact OE2-NH2 3.25Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 2.82Å
119	I	97.3	Very high	96.4	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-72.9	-42.4	180	-66.5	-60.2	0	0	0	111.9	I26 W87 T91 L97 E115 L116 H117 R121 S122 N125	I26-I119 HydrophobicContact CD1-CB 4.33Å; I26-I119 HydrophobicContact CD1-CG1 4.04Å; I26-I119 HydrophobicContact CD1-CG2 3.89Å; W87-I119 HydrophobicContact CB-CD1 3.69Å; W87-I119 HydrophobicContact CB-CG1 4.4Å; W87-I119 HydrophobicContact CE3-CD1 4.23Å; W87-I119 HydrophobicContact CE3-CG1 3.85Å; T91-I119 HydrophobicContact CG2-CG2 4.06Å; L97-I119 HydrophobicContact CD2-CG2 4.11Å; E115-I119 WeakPolarHBondContact O-CG1 3.46Å; E115-I119 PolarHBondContact O-N 3.34Å; L116-I119 PolarHBondContact O-N 2.98Å; H117-I119 PolarHBondContact O-N 2.75Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.77Å; I119-S122 VanDerWaalsContact O-CB 3.28Å; I119-S122 WeakPolarHBondContact O-CB 3.39Å; I119-S122 PolarHBondContact O-N 3.41Å; I119-N125 WeakPolarHBondContact CG2-ND2 3.41Å; I119-N125 WeakPolarHBondContact O-CB 3.43Å; I119-N125 PolarHBondContact O-ND2 2.81Å
120	S	96	Very high	96.5	Very high	9 Å²	9	44 Å²	44	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-33.6	-177.1	70.4	0	0	0	0	112.7	L116 H117 S122 L157	L116-S120 WeakPolarHBondContact O-CB 3.1Å; L116-S120 PolarHBondContact O-N 2.83Å; L116-S120 PolarHBondContact O-OG 2.81Å; H117-S120 WeakPolarHBondContact CA-OG 3.41Å; H117-S120 PolarHBondContact O-OG 3.15Å; S120-S122 VanDerWaalsContact C-N 3.31Å; S120-S122 PolarHBondContact O-N 3.49Å; S120-L157 VanDerWaalsContact OG-CD2 3.3Å; S120-L157 WeakPolarHBondContact OG-CD2 2.88Å
121	R	94.4	Very high	96.5	Very high	146 Å²	146	38.8 Å²	38.8	55%	0.551	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.4	178.9	-66.6	175.5	-160.5	-119	3.3	113.7	H117 I119 A123 Q126	H117-R121 PolarHBondContact ND1-NH2 2.83Å; H117-R121 WeakPolarHBondContact O-CB 3.29Å; H117-R121 WeakPolarHBondContact O-CG 3.35Å; H117-R121 PolarHBondContact O-N 3.33Å; H117-R121 VanDerWaalsContact O-N 3.08Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.77Å; R121-A123 PolarHBondContact O-N 2.89Å; R121-Q126 PolarHBondContact O-NE2 2.82Å; R121-Q126 VanDerWaalsContact O-NE2 3.16Å
122	S	93.8	Very high	96.5	Very high	23 Å²	23	35.6 Å²	35.6	16%	0.161	18%	0.181	C	C	.	.	S	Bend	trans	-55.7	135	174.7	-179.2	0	0	0	0	111	I119 S120 E124 N125 Q126	I119-S122 VanDerWaalsContact O-CB 3.28Å; I119-S122 WeakPolarHBondContact O-CB 3.39Å; I119-S122 PolarHBondContact O-N 3.41Å; S120-S122 VanDerWaalsContact C-N 3.31Å; S120-S122 PolarHBondContact O-N 3.49Å; S122-E124 PolarHBondContact O-N 3.01Å; S122-E124 VanDerWaalsContact O-N 3.12Å; S122-N125 PolarHBondContact O-N 3.25Å; S122-Q126 PolarHBondContact O-N 2.96Å
123	A	91.9	Very high	96.5	Very high	86 Å²	86	35.7 Å²	35.7	71%	0.711	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-54.6	-35.3	-178.2	0	0	0	0	0	113	R121 N125	R121-A123 PolarHBondContact O-N 2.89Å; A123-N125 PolarHBondContact O-N 3.16Å
124	E	91.4	Very high	96.5	Very high	93 Å²	93	33.6 Å²	33.6	44%	0.435	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-70.2	-19.3	178.7	-64.7	-72.3	165	0	0	113.5	R92 S122	R92-E124 HydrophobicContact CG-CB 3.92Å; R92-E124 HydrophobicContact CG-CG 3.84Å; S122-E124 PolarHBondContact O-N 3.01Å; S122-E124 VanDerWaalsContact O-N 3.12Å
125	N	94.2	Very high	96.5	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-108.1	5.2	-173.8	-65.1	-19.1	0	0	0	113.1	T91 I119 S122 A123 G127 V128	T91-N125 PolarHBondContact O-OD1 2.95Å; T91-N125 VanDerWaalsContact O-OD1 3.1Å; T91-N125 PolarHBondContact OG1-ND2 2.88Å; I119-N125 WeakPolarHBondContact CG2-ND2 3.41Å; I119-N125 WeakPolarHBondContact O-CB 3.43Å; I119-N125 PolarHBondContact O-ND2 2.81Å; S122-N125 PolarHBondContact O-N 3.25Å; A123-N125 PolarHBondContact O-N 3.16Å; N125-G127 PolarHBondContact O-N 3.35Å; N125-V128 HydrophobicContact CB-CG2 4.3Å; N125-V128 VanDerWaalsContact O-CB 3.32Å; N125-V128 WeakPolarHBondContact O-CB 3.45Å; N125-V128 VanDerWaalsContact O-CG2 3.3Å; N125-V128 WeakPolarHBondContact O-CG2 3.33Å; N125-V128 PolarHBondContact O-N 3.36Å
126	Q	92.1	Very high	96.5	Very high	83 Å²	83	31 Å²	31	39%	0.388	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	123.5	-178.7	-72	-65.8	-29.6	0	0	111.9	R121 S122 V128 R190	R121-Q126 PolarHBondContact O-NE2 2.82Å; R121-Q126 VanDerWaalsContact O-NE2 3.16Å; S122-Q126 PolarHBondContact O-N 2.96Å; Q126-V128 PolarHBondContact O-N 3.44Å; Q126-R190 PolarHBondContact O-NH2 3.23Å
127	G	94.1	Very high	96.5	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	8.4	-178.5	0	0	0	0	0	115	N125 S160 R190	N125-G127 PolarHBondContact O-N 3.35Å; G127-S160 WeakPolarHBondContact CA-O 3.32Å; G127-R190 WeakPolarHBondContact O-CD 3.41Å; G127-R190 PolarHBondContact O-NE 2.78Å
128	V	97.6	Very high	96.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.03	18%	0.182	C	C	.	.			trans	-61.5	128.5	171.4	173.6	0	0	0	0	108.8	T94 L97 N125 Q126 I130 T161 R190	T94-V128 HydrophobicContact CG2-CG1 3.57Å; T94-V128 HydrophobicContact CG2-CG2 4.29Å; L97-V128 HydrophobicContact CB-CG1 4.16Å; N125-V128 HydrophobicContact CB-CG2 4.3Å; N125-V128 VanDerWaalsContact O-CB 3.32Å; N125-V128 WeakPolarHBondContact O-CB 3.45Å; N125-V128 VanDerWaalsContact O-CG2 3.3Å; N125-V128 WeakPolarHBondContact O-CG2 3.33Å; N125-V128 PolarHBondContact O-N 3.36Å; Q126-V128 PolarHBondContact O-N 3.44Å; V128-I130 WeakPolarHBondContact O-CG1 3.32Å; V128-T161 WeakPolarHBondContact O-CG2 3.38Å; V128-R190 VanDerWaalsContact CA-CZ 3.46Å
129	P	98.4	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.			trans	-66.6	139.1	178.2	-19.6	35.6	0	0	0	111.3	D95 L97 L162 L183 M186 I187 R190	D95-P129 VanDerWaalsContact O-CD 3.23Å; D95-P129 WeakPolarHBondContact O-CD 3.44Å; L97-P129 PolarHBondContact N-O 2.89Å; P129-L162 CarbonylContact C-O 3.6Å; P129-L162 VanDerWaalsContact CA-O 3.24Å; P129-L162 WeakPolarHBondContact CA-O 3.47Å; P129-L162 HydrophobicContact CB-CB 4.35Å; P129-L183 HydrophobicContact CB-CD1 4.32Å; P129-M186 HydrophobicContact CB-CB 3.65Å; P129-M186 HydrophobicContact CB-CE 4.37Å; P129-M186 HydrophobicContact CG-CB 4.17Å; P129-I187 HydrophobicContact CG-CG1 4.25Å; P129-R190 HydrophobicContact CG-CB 4.21Å
130	I	98.8	Very high	96.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.1	-177.1	-53.2	-176.9	0	0	0	109.6	L97 F99 L116 V128 V132 L157 T161 L162 H163 H164	L97-I130 HydrophobicContact CB-CG1 4.27Å; L97-I130 HydrophobicContact CD2-CD1 4.18Å; L97-I130 HydrophobicContact CD2-CG1 4.13Å; L97-I130 HydrophobicContact CD2-CG2 4.32Å; L97-I130 CarbonylContact O-C 3.57Å; L97-I130 WeakPolarHBondContact O-CA 3.38Å; F99-I130 HydrophobicContact CB-CG2 4.33Å; L116-I130 HydrophobicContact CD1-CD1 4.21Å; L116-I130 HydrophobicContact CD1-CG2 4.11Å; V128-I130 WeakPolarHBondContact O-CG1 3.32Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; I130-L157 HydrophobicContact CD1-CD1 4.31Å; I130-T161 HydrophobicContact CD1-CG2 3.77Å; I130-T161 HydrophobicContact CG1-CG2 3.91Å; I130-L162 PolarHBondContact N-O 3.47Å; I130-H163 HydrophobicContact CB-CB 4.48Å; I130-H163 WeakPolarHBondContact O-CA 3.07Å; I130-H164 PolarHBondContact O-N 3.47Å; I130-H164 VanDerWaalsContact O-N 3.11Å
131	L	98.9	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120	163.9	174.7	68.8	0	0	0	108.5	L97 V98 F99 L133 H164 Q166 G179 L180 L183	L97-L131 PolarHBondContact O-N 2.96Å; V98-L131 CarbonylContact C-O 3.46Å; V98-L131 VanDerWaalsContact CA-O 3.32Å; V98-L131 WeakPolarHBondContact CA-O 3.49Å; V98-L131 HydrophobicContact CG2-CB 4.45Å; V98-L131 HydrophobicContact CG2-CD2 4.24Å; F99-L131 PolarHBondContact N-O 3.3Å; L131-L133 HydrophobicContact CD1-CD2 4.34Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.04Å; L131-L133 HydrophobicContact CG-CD2 4.04Å; L131-L133 HydrophobicContact CG-CG 4.19Å; L131-H164 HydrophobicContact CD1-CB 4.44Å; L131-Q166 HydrophobicContact CD1-CB 4.23Å; L131-G179 WeakPolarHBondContact CD1-O 3.44Å; L131-G179 VanDerWaalsContact CD2-C 3.48Å; L131-G179 VanDerWaalsContact CD2-O 3.3Å; L131-G179 WeakPolarHBondContact CD2-O 3.48Å; L131-L180 HydrophobicContact CD2-CD2 4.32Å; L131-L183 HydrophobicContact CB-CB 4.11Å; L131-L183 HydrophobicContact CB-CD1 4.1Å; L131-L183 HydrophobicContact CB-CD2 4.41Å; L131-L183 HydrophobicContact CB-CG 4.44Å; L131-L183 HydrophobicContact CD2-CB 4.16Å
132	V	98.9	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.1	167.6	179	0	0	0	0	108.5	F99 V101 I130 V148 L152 L154 H164 T165 Q166	F99-V132 HydrophobicContact CB-CG2 4.42Å; F99-V132 CarbonylContact O-C 3.54Å; F99-V132 VanDerWaalsContact O-CA 3.3Å; F99-V132 WeakPolarHBondContact O-CA 3.44Å; V101-V132 HydrophobicContact CG2-CG1 4.41Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; V132-V148 HydrophobicContact CG1-CG1 4.06Å; V132-L152 HydrophobicContact CG1-CD1 3.65Å; V132-L152 HydrophobicContact CG2-CD1 4.27Å; V132-L154 HydrophobicContact CB-CD1 4.41Å; V132-L154 HydrophobicContact CG2-CD1 3.79Å; V132-L154 HydrophobicContact CG2-CD2 4.2Å; V132-H164 PolarHBondContact N-O 3.24Å; V132-T165 HydrophobicContact CB-CG2 4.06Å; V132-T165 HydrophobicContact CG1-CG2 3.97Å; V132-T165 WeakPolarHBondContact O-CA 3.5Å; V132-Q166 PolarHBondContact O-N 3.02Å
133	L	98.9	Very high	97.1	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	105.9	171.7	-71.1	-176.4	0	0	0	108.7	L36 V98 F99 V100 V101 L131 N135 Q166 C168 L176	L36-L133 HydrophobicContact CD1-CD1 4.19Å; V98-L133 HydrophobicContact CG1-CD1 3.66Å; V98-L133 HydrophobicContact CG1-CG 3.93Å; F99-L133 PolarHBondContact O-N 3.48Å; V100-L133 HydrophobicContact CG2-CB 4.4Å; V101-L133 PolarHBondContact N-O 2.87Å; L131-L133 HydrophobicContact CD1-CD2 4.34Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.04Å; L131-L133 HydrophobicContact CG-CD2 4.04Å; L131-L133 HydrophobicContact CG-CG 4.19Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.68Å; L133-N135 VanDerWaalsContact O-N 3.09Å; L133-Q166 WeakPolarHBondContact CA-O 3.28Å; L133-Q166 HydrophobicContact CD2-CB 4.07Å; L133-Q166 HydrophobicContact CD2-CG 4.3Å; L133-C168 HydrophobicContact CD2-CB 4.49Å; L133-L176 HydrophobicContact CD1-CD2 4.45Å
134	A	98.9	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	86.8	169.9	0	0	0	0	0	107.8	A103 Q137 A145 V148 Q166 G167 C168	A103-A134 HydrophobicContact CB-CB 4.3Å; A134-Q137 WeakPolarHBondContact O-CG 3.38Å; A134-A145 HydrophobicContact CB-CB 4.4Å; A134-V148 HydrophobicContact CB-CB 4.02Å; A134-V148 HydrophobicContact CB-CG1 4.18Å; A134-V148 HydrophobicContact CB-CG2 3.67Å; A134-Q166 PolarHBondContact N-O 2.92Å; A134-G167 WeakPolarHBondContact O-CA 3.42Å; A134-C168 PolarHBondContact O-N 2.98Å
135	N	98.8	Very high	97.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	166.6	-171.2	-171.3	34.5	0	0	0	111.9	A31 L36 V100 V101 A103 L133 C168 S169 A170	A31-N135 PolarHBondContact O-ND2 3.37Å; L36-N135 HydrophobicContact CD1-CB 4.33Å; V100-N135 HydrophobicContact CG1-CB 3.89Å; V101-N135 WeakPolarHBondContact O-CB 3.19Å; V101-N135 PolarHBondContact O-N 3.32Å; A103-N135 WeakPolarHBondContact CB-O 3.4Å; A103-N135 PolarHBondContact N-O 3.48Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.68Å; L133-N135 VanDerWaalsContact O-N 3.09Å; N135-C168 CarbonylContact C-O 3.4Å; N135-C168 VanDerWaalsContact CA-O 3.31Å; N135-C168 WeakPolarHBondContact CA-O 3.26Å; N135-S169 WeakPolarHBondContact OD1-CA 3.41Å; N135-A170 PolarHBondContact OD1-N 2.71Å
136	K	98.4	Very high	98	Very high	51 Å²	51	39 Å²	39	22%	0.222	22%	0.222	C	C	.	.			trans	68	30.8	-179	-45.1	-163.4	-166.6	171.6	0	114.4	S30 D102 D138 L139 A142 C168	S30-K136 VanDerWaalsContact O-CE 3.28Å; S30-K136 WeakPolarHBondContact O-CE 3.48Å; S30-K136 PolarHBondContact O-NZ 2.78Å; D102-K136 VanDerWaalsContact OD1-CD 3.32Å; D102-K136 WeakPolarHBondContact OD1-CD 3.42Å; D102-K136 IonicContact OD1-NZ 2.71Å; D102-K136 WeakPolarHBondContact OD2-CE 3.19Å; D102-K136 IonicContact OD2-NZ 2.77Å; D102-K136 PolarHBondContact OD2-NZ 2.91Å; K136-D138 WeakPolarHBondContact CA-OD1 3.26Å; K136-D138 PolarHBondContact O-N 3.47Å; K136-L139 HydrophobicContact CB-CD1 3.92Å; K136-L139 HydrophobicContact CB-CG 4.26Å; K136-L139 HydrophobicContact CD-CD1 4.03Å; K136-L139 PolarHBondContact O-N 3.09Å; K136-A142 VanDerWaalsContact O-CB 3.3Å; K136-A142 WeakPolarHBondContact O-CB 3.37Å; K136-C168 PolarHBondContact N-O 2.91Å; K136-C168 VanDerWaalsContact N-O 3.11Å
137	Q	98.7	Very high	98.3	Very high	70 Å²	70	39.8 Å²	39.8	33%	0.327	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-4.8	172.3	-63.6	-69.8	-68	0	0	113.7	A134 L139 V143 C168	A134-Q137 WeakPolarHBondContact O-CG 3.38Å; Q137-L139 VanDerWaalsContact C-N 3.26Å; Q137-V143 PolarHBondContact NE2-O 2.72Å; Q137-C168 WeakPolarHBondContact CB-O 3.4Å; Q137-C168 WeakPolarHBondContact CG-O 3.5Å; Q137-C168 PolarHBondContact N-O 3.24Å; Q137-C168 VanDerWaalsContact N-O 3.11Å
138	D	98.3	Very high	98.5	Very high	58 Å²	58	39.4 Å²	39.4	31%	0.31	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.9	168.8	52.3	-80.8	0	0	0	114	K136 S169 L171	K136-D138 WeakPolarHBondContact CA-OD1 3.26Å; K136-D138 PolarHBondContact O-N 3.47Å; D138-S169 WeakPolarHBondContact OD1-CB 3.41Å; D138-S169 PolarHBondContact OD1-OG 2.86Å; D138-L171 HydrophobicContact CB-CD2 4.3Å; D138-L171 WeakPolarHBondContact OD2-CD2 3.3Å
139	L	98.3	Very high	98.6	Very high	74 Å²	74	42.9 Å²	42.9	39%	0.387	24%	0.238	S	C	.	.	S	Bend	trans	-97.3	138.6	179.2	-57.8	178.8	0	0	0	111.3	A104 K136 Q137 S141 A142	A104-L139 HydrophobicContact CB-CB 4.2Å; A104-L139 HydrophobicContact CB-CD1 3.67Å; K136-L139 HydrophobicContact CB-CD1 3.92Å; K136-L139 HydrophobicContact CB-CG 4.26Å; K136-L139 HydrophobicContact CD-CD1 4.03Å; K136-L139 PolarHBondContact O-N 3.09Å; Q137-L139 VanDerWaalsContact C-N 3.26Å; L139-S141 PolarHBondContact O-N 2.6Å; L139-A142 WeakPolarHBondContact O-CB 3.16Å; L139-A142 PolarHBondContact O-N 3.42Å
140	D	97.4	Very high	98.6	Very high	178 Å²	178	50 Å²	50	95%	0.952	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.3	-180	-66.2	-28.3	0	0	0	113.6	A142	D140-A142 VanDerWaalsContact C-N 3.27Å; D140-A142 PolarHBondContact O-N 2.8Å
141	S	97.7	Very high	98.6	Very high	77 Å²	77	52 Å²	52	54%	0.538	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.1	177.7	62.3	0	0	0	0	113.7	A104 L139 V143	A104-S141 WeakPolarHBondContact CB-OG 3.5Å; L139-S141 PolarHBondContact O-N 2.6Å; S141-V143 PolarHBondContact O-N 3.01Å
142	A	98.6	Very high	98.6	Very high	21 Å²	21	52 Å²	52	17%	0.174	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-70.5	123.3	-177.7	0	0	0	0	0	111.6	A103 A104 K136 L139 D140	A103-A142 HydrophobicContact CB-CB 4.17Å; A103-A142 WeakPolarHBondContact O-CA 3.39Å; A104-A142 HydrophobicContact CB-CB 4.37Å; K136-A142 VanDerWaalsContact O-CB 3.3Å; K136-A142 WeakPolarHBondContact O-CB 3.37Å; L139-A142 WeakPolarHBondContact O-CB 3.16Å; L139-A142 PolarHBondContact O-N 3.42Å; D140-A142 VanDerWaalsContact C-N 3.27Å; D140-A142 PolarHBondContact O-N 2.8Å
143	V	98.7	Very high	98.5	Very high	32 Å²	32	52.2 Å²	52.2	19%	0.194	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-72.6	152.9	171.4	-56.3	0	0	0	0	110.5	A103 T106 M109 Q137 S141 E147 V148	A103-V143 HydrophobicContact CB-CG2 4.47Å; A103-V143 WeakPolarHBondContact O-CG2 3.32Å; A103-V143 PolarHBondContact O-N 3.48Å; T106-V143 HydrophobicContact CG2-CG1 3.52Å; T106-V143 HydrophobicContact CG2-CG2 4.45Å; M109-V143 HydrophobicContact CE-CG2 4.49Å; Q137-V143 PolarHBondContact NE2-O 2.72Å; S141-V143 PolarHBondContact O-N 3.01Å; V143-E147 HydrophobicContact CB-CB 3.93Å; V143-E147 HydrophobicContact CG2-CB 4.1Å; V143-V148 HydrophobicContact CG2-CG2 3.7Å
144	S	98.6	Very high	98.5	Very high	44 Å²	44	51.9 Å²	51.9	31%	0.308	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.4	159.6	-178.1	67.1	0	0	0	0	112.6	V146 E147 V148	S144-V146 PolarHBondContact O-N 2.71Å; S144-V146 VanDerWaalsContact O-N 3.16Å; S144-E147 VanDerWaalsContact CB-OE2 3.3Å; S144-E147 WeakPolarHBondContact CB-OE2 3.48Å; S144-E147 PolarHBondContact N-OE2 2.87Å; S144-E147 PolarHBondContact O-N 2.85Å; S144-E147 WeakPolarHBondContact OG-CG 3.16Å; S144-E147 PolarHBondContact OG-N 3.5Å; S144-E147 PolarHBondContact OG-OE2 3.09Å; S144-V148 PolarHBondContact O-N 2.93Å
145	A	98.6	Very high	98.4	Very high	22 Å²	22	58.9 Å²	58.9	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-54.7	-34.2	173.2	0	0	0	0	0	113	A134 V148 E149 T165	A134-A145 HydrophobicContact CB-CB 4.4Å; A145-V148 PolarHBondContact O-N 2.86Å; A145-E149 WeakPolarHBondContact O-CB 3.39Å; A145-E149 PolarHBondContact O-N 2.94Å; A145-T165 HydrophobicContact CB-CG2 4.11Å; A145-T165 VanDerWaalsContact O-CG2 3.28Å; A145-T165 WeakPolarHBondContact O-CG2 3.47Å
146	V	98.6	Very high	98.3	Very high	86 Å²	86	63.3 Å²	63.3	52%	0.521	34%	0.339	S	S	.	.	H	α-helix	trans	-69	-38.1	177.3	176.4	0	0	0	0	111.4	S144 E149 K150	S144-V146 PolarHBondContact O-N 2.71Å; S144-V146 VanDerWaalsContact O-N 3.16Å; V146-E149 PolarHBondContact O-N 2.86Å; V146-K150 WeakPolarHBondContact O-CG 3.27Å; V146-K150 PolarHBondContact O-N 2.79Å; V146-K150 VanDerWaalsContact O-N 3.1Å
147	E	98.7	Very high	98.3	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-40.5	175.7	-72.3	163.5	126.5	0	0	111.5	V143 S144 E149 K150 A151	V143-E147 HydrophobicContact CB-CB 3.93Å; V143-E147 HydrophobicContact CG2-CB 4.1Å; S144-E147 VanDerWaalsContact CB-OE2 3.3Å; S144-E147 WeakPolarHBondContact CB-OE2 3.48Å; S144-E147 PolarHBondContact N-OE2 2.87Å; S144-E147 PolarHBondContact O-N 2.85Å; S144-E147 WeakPolarHBondContact OG-CG 3.16Å; S144-E147 PolarHBondContact OG-N 3.5Å; S144-E147 PolarHBondContact OG-OE2 3.09Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 2.93Å; E147-K150 PolarHBondContact O-N 3.07Å; E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.32Å; E147-A151 PolarHBondContact O-N 2.86Å
148	V	98.9	Very high	98	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-46.3	171.7	176	0	0	0	0	110.8	V101 A103 M109 V132 A134 V143 S144 A145 K150 A151 L152 T165	V101-V148 HydrophobicContact CB-CG1 4.33Å; V101-V148 HydrophobicContact CG1-CG1 4.29Å; A103-V148 HydrophobicContact CB-CG2 4.09Å; M109-V148 HydrophobicContact CE-CG2 4.16Å; M109-V148 HydrophobicContact SD-CG1 4.36Å; V132-V148 HydrophobicContact CG1-CG1 4.06Å; A134-V148 HydrophobicContact CB-CB 4.02Å; A134-V148 HydrophobicContact CB-CG1 4.18Å; A134-V148 HydrophobicContact CB-CG2 3.67Å; V143-V148 HydrophobicContact CG2-CG2 3.7Å; S144-V148 PolarHBondContact O-N 2.93Å; A145-V148 PolarHBondContact O-N 2.86Å; V148-K150 VanDerWaalsContact C-N 3.33Å; V148-K150 PolarHBondContact O-N 2.8Å; V148-A151 PolarHBondContact O-N 2.89Å; V148-L152 HydrophobicContact CG1-CD1 3.65Å; V148-L152 HydrophobicContact CG1-CG 4.12Å; V148-L152 WeakPolarHBondContact O-CB 3.16Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.28Å; V148-L152 PolarHBondContact O-N 3.45Å; V148-T165 HydrophobicContact CG1-CG2 4.46Å
149	E	98.7	Very high	97.7	Very high	78 Å²	78	65.8 Å²	65.8	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-57.7	-44.3	178	178.6	163.2	135	0	0	112.7	A145 V146 E147 A153 L154 T165	A145-E149 WeakPolarHBondContact O-CB 3.39Å; A145-E149 PolarHBondContact O-N 2.94Å; V146-E149 PolarHBondContact O-N 2.86Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 2.93Å; E149-A153 PolarHBondContact O-N 3.38Å; E149-L154 HydrophobicContact CB-CD1 4.36Å; E149-L154 HydrophobicContact CG-CB 4.14Å; E149-L154 HydrophobicContact CG-CD1 3.92Å; E149-L154 HydrophobicContact CG-CG 4.1Å; E149-L154 PolarHBondContact O-N 3.3Å; E149-T165 HydrophobicContact CB-CG2 4.32Å; E149-T165 WeakPolarHBondContact OE2-CB 3.29Å; E149-T165 PolarHBondContact OE2-OG1 3.43Å
150	K	98.7	Very high	97.5	Very high	150 Å²	150	65.5 Å²	65.5	65%	0.652	37%	0.365	S	S	*	.	H	α-helix	trans	-64.5	-47.8	176	-73.1	173.5	-177.8	177.5	0	111.3	V146 E147 V148 L152 A153	V146-K150 WeakPolarHBondContact O-CG 3.27Å; V146-K150 PolarHBondContact O-N 2.79Å; V146-K150 VanDerWaalsContact O-N 3.1Å; E147-K150 PolarHBondContact O-N 3.07Å; V148-K150 VanDerWaalsContact C-N 3.33Å; V148-K150 PolarHBondContact O-N 2.8Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 3.21Å; K150-A153 WeakPolarHBondContact O-CA 3.47Å; K150-A153 PolarHBondContact O-N 2.96Å
151	A	98.6	Very high	97.4	Very high	44 Å²	44	57.3 Å²	57.3	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-33.1	-175.7	0	0	0	0	0	112.6	M109 E147 V148 A153	M109-A151 HydrophobicContact CG-CB 3.35Å; M109-A151 HydrophobicContact SD-CB 4.21Å; E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.32Å; E147-A151 PolarHBondContact O-N 2.86Å; V148-A151 PolarHBondContact O-N 2.89Å; A151-A153 PolarHBondContact O-N 3.33Å
152	L	98.8	Very high	97.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.4	172.8	-62.5	177.3	0	0	0	113.7	V101 M109 A112 K113 L116 H117 V132 V148 K150 L154	V101-L152 HydrophobicContact CG2-CD1 3.94Å; V101-L152 HydrophobicContact CG2-CD2 4.41Å; M109-L152 HydrophobicContact SD-CD2 3.85Å; M109-L152 HydrophobicContact SD-CG 4.16Å; A112-L152 HydrophobicContact CB-CD2 4.02Å; K113-L152 HydrophobicContact CB-CD2 4.13Å; L116-L152 HydrophobicContact CD2-CB 4.2Å; L116-L152 HydrophobicContact CD2-CD1 4.18Å; H117-L152 PolarHBondContact NE2-O 3.13Å; V132-L152 HydrophobicContact CG1-CD1 3.65Å; V132-L152 HydrophobicContact CG2-CD1 4.27Å; V148-L152 HydrophobicContact CG1-CD1 3.65Å; V148-L152 HydrophobicContact CG1-CG 4.12Å; V148-L152 WeakPolarHBondContact O-CB 3.16Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.28Å; V148-L152 PolarHBondContact O-N 3.45Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 3.21Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 HydrophobicContact CB-CD2 3.59Å; L152-L154 HydrophobicContact CB-CG 4.11Å; L152-L154 HydrophobicContact CD1-CD2 4.25Å; L152-L154 PolarHBondContact O-N 2.96Å
153	A	98.5	Very high	97.5	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.033	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	49.8	-176.3	0	0	0	0	0	112.5	K113 H117 E149 K150 A151 H155 E156	K113-A153 HydrophobicContact CD-CB 4.33Å; H117-A153 PolarHBondContact NE2-O 2.97Å; E149-A153 PolarHBondContact O-N 3.38Å; K150-A153 WeakPolarHBondContact O-CA 3.47Å; K150-A153 PolarHBondContact O-N 2.96Å; A151-A153 PolarHBondContact O-N 3.33Å; A153-H155 PolarHBondContact O-N 2.91Å; A153-H155 VanDerWaalsContact O-N 3.14Å; A153-E156 HydrophobicContact CB-CG 4.08Å; A153-E156 WeakPolarHBondContact O-CB 3.33Å; A153-E156 PolarHBondContact O-N 2.85Å
154	L	98.2	Very high	97.5	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.3	-175.7	-58.7	-166.7	0	0	0	113.1	L116 V132 E149 L152 E156 L157 T165	L116-L154 HydrophobicContact CD2-CD2 3.41Å; L116-L154 VanDerWaalsContact CD2-CD2 3.41Å; V132-L154 HydrophobicContact CB-CD1 4.41Å; V132-L154 HydrophobicContact CG2-CD1 3.79Å; V132-L154 HydrophobicContact CG2-CD2 4.2Å; E149-L154 HydrophobicContact CB-CD1 4.36Å; E149-L154 HydrophobicContact CG-CB 4.14Å; E149-L154 HydrophobicContact CG-CD1 3.92Å; E149-L154 HydrophobicContact CG-CG 4.1Å; E149-L154 PolarHBondContact O-N 3.3Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 HydrophobicContact CB-CD2 3.59Å; L152-L154 HydrophobicContact CB-CG 4.11Å; L152-L154 HydrophobicContact CD1-CD2 4.25Å; L152-L154 PolarHBondContact O-N 2.96Å; L154-E156 PolarHBondContact O-N 3.09Å; L154-L157 HydrophobicContact CB-CD1 4.32Å; L154-L157 HydrophobicContact CD2-CD1 4.09Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.23Å; L154-L157 VanDerWaalsContact O-CG 3.32Å; L154-L157 WeakPolarHBondContact O-CG 3.47Å; L154-L157 PolarHBondContact O-N 2.93Å; L154-T165 VanDerWaalsContact CD1-OG1 3.24Å; L154-T165 WeakPolarHBondContact CD1-OG1 3.48Å
155	H	96.8	Very high	97.5	Very high	146 Å²	146	57.4 Å²	57.4	68%	0.676	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19	173	70.1	-82.8	0	0	0	113.8	A153	A153-H155 PolarHBondContact O-N 2.91Å; A153-H155 VanDerWaalsContact O-N 3.14Å
156	E	97.5	Very high	97.5	Very high	95 Å²	95	58.5 Å²	58.5	44%	0.444	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-87.8	-4.1	175.5	-61.7	179	-170.2	0	0	113.2	A153 L154	A153-E156 HydrophobicContact CB-CG 4.08Å; A153-E156 WeakPolarHBondContact O-CB 3.33Å; A153-E156 PolarHBondContact O-N 2.85Å; L154-E156 PolarHBondContact O-N 3.09Å
157	L	96.7	Very high	97.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	29%	0.289	C	S	.	.	S	Bend	trans	-64.7	155	172.9	-64.8	177.4	0	0	0	110.5	S120 I130 L154 N159 T161 H163	S120-L157 VanDerWaalsContact OG-CD2 3.3Å; S120-L157 WeakPolarHBondContact OG-CD2 2.88Å; I130-L157 HydrophobicContact CD1-CD1 4.31Å; L154-L157 HydrophobicContact CB-CD1 4.32Å; L154-L157 HydrophobicContact CD2-CD1 4.09Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.23Å; L154-L157 VanDerWaalsContact O-CG 3.32Å; L154-L157 WeakPolarHBondContact O-CG 3.47Å; L154-L157 PolarHBondContact O-N 2.93Å; L157-N159 PolarHBondContact O-N 3.38Å; L157-T161 HydrophobicContact CB-CG2 4.49Å; L157-T161 HydrophobicContact CD1-CG2 4.32Å; L157-H163 HydrophobicContact CD1-CB 4.25Å
158	S	94.3	Very high	97.5	Very high	54 Å²	54	50.6 Å²	50.6	38%	0.378	27%	0.267	S	S	.	.			trans	-55.4	138.1	177.7	172.8	0	0	0	0	111.4	S160 T161	S158-S160 PolarHBondContact O-N 2.74Å; S158-S160 PolarHBondContact OG-OG 2.8Å; S158-S160 VanDerWaalsContact OG-OG 3.11Å; S158-T161 WeakPolarHBondContact O-CA 3.45Å; S158-T161 WeakPolarHBondContact O-CB 3.41Å; S158-T161 PolarHBondContact O-N 2.99Å; S158-T161 PolarHBondContact O-OG1 2.78Å
159	N	91.9	Very high	97.5	Very high	168 Å²	168	50.6 Å²	50.6	90%	0.898	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.9	179.3	-68.7	-20.8	0	0	0	114.2	L157 T161	L157-N159 PolarHBondContact O-N 3.38Å; N159-T161 VanDerWaalsContact C-N 3.33Å
160	S	92.7	Very high	97.4	Very high	67 Å²	67	47.1 Å²	47.1	47%	0.469	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.8	175.6	65.4	0	0	0	0	113.8	G127 S158 L162	G127-S160 WeakPolarHBondContact CA-O 3.32Å; S158-S160 PolarHBondContact O-N 2.74Å; S158-S160 PolarHBondContact OG-OG 2.8Å; S158-S160 VanDerWaalsContact OG-OG 3.11Å; S160-L162 PolarHBondContact O-N 3.05Å
161	T	96.4	Very high	97.4	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.037	24%	0.242	C	C	.	.			trans	-91.7	98.1	-176.8	-57.1	0	0	0	0	109.6	V128 I130 L157 S158 N159 H163	V128-T161 WeakPolarHBondContact O-CG2 3.38Å; I130-T161 HydrophobicContact CD1-CG2 3.77Å; I130-T161 HydrophobicContact CG1-CG2 3.91Å; L157-T161 HydrophobicContact CB-CG2 4.49Å; L157-T161 HydrophobicContact CD1-CG2 4.32Å; S158-T161 WeakPolarHBondContact O-CA 3.45Å; S158-T161 WeakPolarHBondContact O-CB 3.41Å; S158-T161 PolarHBondContact O-N 2.99Å; S158-T161 PolarHBondContact O-OG1 2.78Å; N159-T161 VanDerWaalsContact C-N 3.33Å; T161-H163 PolarHBondContact O-N 2.9Å; T161-H163 PolarHBondContact O-ND1 3.21Å
162	L	98.3	Very high	97.3	Very high	38 Å²	38	45.1 Å²	45.1	20%	0.199	24%	0.242	C	C	.	.			trans	-63.8	131.5	170.6	-59.1	175.2	0	0	0	109	P129 I130 S160 M186 K189	P129-L162 CarbonylContact C-O 3.6Å; P129-L162 VanDerWaalsContact CA-O 3.24Å; P129-L162 WeakPolarHBondContact CA-O 3.47Å; P129-L162 HydrophobicContact CB-CB 4.35Å; I130-L162 PolarHBondContact N-O 3.47Å; S160-L162 PolarHBondContact O-N 3.05Å; L162-M186 HydrophobicContact CB-CB 4.04Å; L162-M186 HydrophobicContact CB-CG 4.01Å; L162-M186 HydrophobicContact CB-SD 3.68Å; L162-M186 HydrophobicContact CD1-CB 3.98Å; L162-M186 HydrophobicContact CD1-CG 4.39Å; L162-M186 WeakPolarHBondContact CD1-O 3.31Å; L162-K189 HydrophobicContact CD1-CB 4Å; L162-K189 HydrophobicContact CD1-CD 3.86Å; L162-K189 HydrophobicContact CD1-CG 4.02Å; L162-K189 HydrophobicContact CD2-CD 4.34Å
163	H	98.6	Very high	97.2	Very high	69 Å²	69	46.3 Å²	46.3	32%	0.319	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.1	177.8	58.5	-85.8	0	0	0	111.9	I130 L157 T161	I130-H163 HydrophobicContact CB-CB 4.48Å; I130-H163 WeakPolarHBondContact O-CA 3.07Å; L157-H163 HydrophobicContact CD1-CB 4.25Å; T161-H163 PolarHBondContact O-N 2.9Å; T161-H163 PolarHBondContact O-ND1 3.21Å
164	H	98.8	Very high	97.2	Very high	58 Å²	58	52.5 Å²	52.5	27%	0.269	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	139	174.2	179.9	64.3	0	0	0	109.5	I130 L131 V132 K182 M186	I130-H164 PolarHBondContact O-N 3.47Å; I130-H164 VanDerWaalsContact O-N 3.11Å; L131-H164 HydrophobicContact CD1-CB 4.44Å; V132-H164 PolarHBondContact N-O 3.24Å; H164-K182 HydrophobicContact CB-CB 4.41Å; H164-M186 HydrophobicContact CB-CE 3.91Å; H164-M186 HydrophobicContact CB-SD 4.21Å
165	T	98.9	Very high	97.1	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.6	175.3	-44	0	0	0	0	109.7	V132 A145 V148 E149 L154	V132-T165 HydrophobicContact CB-CG2 4.06Å; V132-T165 HydrophobicContact CG1-CG2 3.97Å; V132-T165 WeakPolarHBondContact O-CA 3.5Å; A145-T165 HydrophobicContact CB-CG2 4.11Å; A145-T165 VanDerWaalsContact O-CG2 3.28Å; A145-T165 WeakPolarHBondContact O-CG2 3.47Å; V148-T165 HydrophobicContact CG1-CG2 4.46Å; E149-T165 HydrophobicContact CB-CG2 4.32Å; E149-T165 WeakPolarHBondContact OE2-CB 3.29Å; E149-T165 PolarHBondContact OE2-OG1 3.43Å; L154-T165 VanDerWaalsContact CD1-OG1 3.24Å; L154-T165 WeakPolarHBondContact CD1-OG1 3.48Å
166	Q	98.8	Very high	97.1	Very high	45 Å²	45	46.6 Å²	46.6	21%	0.21	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.8	-179.9	175.6	65.5	66.5	0	0	109.4	L131 V132 L133 A134 G175	L131-Q166 HydrophobicContact CD1-CB 4.23Å; V132-Q166 PolarHBondContact O-N 3.02Å; L133-Q166 WeakPolarHBondContact CA-O 3.28Å; L133-Q166 HydrophobicContact CD2-CB 4.07Å; L133-Q166 HydrophobicContact CD2-CG 4.3Å; A134-Q166 PolarHBondContact N-O 2.92Å; Q166-G175 WeakPolarHBondContact CG-O 3.36Å
167	G	98.8	Very high	97	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133	167.8	0	0	0	0	0	109.8	A134	A134-G167 WeakPolarHBondContact O-CA 3.42Å
168	C	98.8	Very high	97	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	27%	0.269	C	S	.	.			trans	-150.7	169.9	-179.4	71.2	0	0	0	0	113.6	L133 A134 N135 K136 Q137 Q174 L176	L133-C168 HydrophobicContact CD2-CB 4.49Å; A134-C168 PolarHBondContact O-N 2.98Å; N135-C168 CarbonylContact C-O 3.4Å; N135-C168 VanDerWaalsContact CA-O 3.31Å; N135-C168 WeakPolarHBondContact CA-O 3.26Å; K136-C168 PolarHBondContact N-O 2.91Å; K136-C168 VanDerWaalsContact N-O 3.11Å; Q137-C168 WeakPolarHBondContact CB-O 3.4Å; Q137-C168 WeakPolarHBondContact CG-O 3.5Å; Q137-C168 PolarHBondContact N-O 3.24Å; Q137-C168 VanDerWaalsContact N-O 3.11Å; C168-Q174 WeakPolarHBondContact CA-O 3.42Å; C168-Q174 VanDerWaalsContact CB-O 3.23Å; C168-Q174 WeakPolarHBondContact CB-O 3.17Å; C168-L176 HydrophobicContact CB-CD2 3.55Å; C168-L176 HydrophobicContact CB-CG 4.44Å
169	S	98.5	Very high	97.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	25%	0.251	C	S	.	.			trans	-136.9	122.6	170.3	167.1	0	0	0	0	110.5	N135 D138 L171 N172 G173 Q174	N135-S169 WeakPolarHBondContact OD1-CA 3.41Å; D138-S169 WeakPolarHBondContact OD1-CB 3.41Å; D138-S169 PolarHBondContact OD1-OG 2.86Å; S169-L171 PolarHBondContact O-N 3.27Å; S169-L171 WeakPolarHBondContact OG-CB 3.5Å; S169-L171 PolarHBondContact OG-N 3.12Å; S169-L171 VanDerWaalsContact OG-N 3.09Å; S169-N172 VanDerWaalsContact CB-OD1 3.25Å; S169-N172 WeakPolarHBondContact CB-OD1 3.23Å; S169-N172 PolarHBondContact OG-N 3.11Å; S169-N172 PolarHBondContact OG-OD1 3.2Å; S169-G173 VanDerWaalsContact O-CA 3.22Å; S169-G173 WeakPolarHBondContact O-CA 3.3Å; S169-G173 PolarHBondContact O-N 3.25Å; S169-Q174 PolarHBondContact N-O 3.38Å
170	A	97.8	Very high	97.4	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.041	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.1	167.7	0	0	0	0	0	111.6	L36 R39 N135 N172	L36-A170 HydrophobicContact CD2-CB 3.66Å; L36-A170 HydrophobicContact CG-CB 3.78Å; R39-A170 WeakPolarHBondContact CG-O 3.39Å; R39-A170 PolarHBondContact NE-O 3Å; N135-A170 PolarHBondContact OD1-N 2.71Å; A170-N172 PolarHBondContact O-N 3.33Å
171	L	97.4	Very high	97.5	Very high	82 Å²	82	36.9 Å²	36.9	43%	0.429	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.9	-176.3	-179.6	63.9	0	0	0	111.9	R39 F45 D138 S169	R39-L171 PolarHBondContact NH2-O 3.41Å; F45-L171 HydrophobicContact CB-CD1 4.47Å; F45-L171 HydrophobicContact CD1-CD1 3.96Å; F45-L171 HydrophobicContact CD2-CD1 4.23Å; F45-L171 HydrophobicContact CE1-CD1 4.2Å; F45-L171 HydrophobicContact CE2-CD1 4.45Å; F45-L171 HydrophobicContact CG-CD1 3.96Å; F45-L171 HydrophobicContact CZ-CD1 4.43Å; D138-L171 HydrophobicContact CB-CD2 4.3Å; D138-L171 WeakPolarHBondContact OD2-CD2 3.3Å; S169-L171 PolarHBondContact O-N 3.27Å; S169-L171 WeakPolarHBondContact OG-CB 3.5Å; S169-L171 PolarHBondContact OG-N 3.12Å; S169-L171 VanDerWaalsContact OG-N 3.09Å
172	N	96.5	Very high	97.6	Very high	70 Å²	70	40.4 Å²	40.4	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-7.2	-178.1	67.5	23.7	0	0	0	114	S169 A170 Q174	S169-N172 VanDerWaalsContact CB-OD1 3.25Å; S169-N172 WeakPolarHBondContact CB-OD1 3.23Å; S169-N172 PolarHBondContact OG-N 3.11Å; S169-N172 PolarHBondContact OG-OD1 3.2Å; A170-N172 PolarHBondContact O-N 3.33Å; N172-Q174 VanDerWaalsContact C-N 3.31Å; N172-Q174 PolarHBondContact ND2-OE1 3.29Å; N172-Q174 PolarHBondContact O-N 2.81Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.19Å; N172-Q174 VanDerWaalsContact OD1-CG 3.25Å; N172-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N172-Q174 PolarHBondContact OD1-N 2.89Å
173	G	97.1	Very high	97.6	Very high	24 Å²	24	38.6 Å²	38.6	25%	0.247	21%	0.206	C	C	.	.			trans	81.8	-0.6	179.4	0	0	0	0	0	115.2	S169	S169-G173 VanDerWaalsContact O-CA 3.22Å; S169-G173 WeakPolarHBondContact O-CA 3.3Å; S169-G173 PolarHBondContact O-N 3.25Å
174	Q	97.9	Very high	97.5	Very high	135 Å²	135	37.8 Å²	37.8	63%	0.631	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	142.6	178.2	-70.2	179	-21.1	0	0	111.1	C168 S169 N172 L176	C168-Q174 WeakPolarHBondContact CA-O 3.42Å; C168-Q174 VanDerWaalsContact CB-O 3.23Å; C168-Q174 WeakPolarHBondContact CB-O 3.17Å; S169-Q174 PolarHBondContact N-O 3.38Å; N172-Q174 VanDerWaalsContact C-N 3.31Å; N172-Q174 PolarHBondContact ND2-OE1 3.29Å; N172-Q174 PolarHBondContact O-N 2.81Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.19Å; N172-Q174 VanDerWaalsContact OD1-CG 3.25Å; N172-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N172-Q174 PolarHBondContact OD1-N 2.89Å; Q174-L176 PolarHBondContact O-N 2.57Å; Q174-L176 VanDerWaalsContact O-N 3.12Å
175	G	97.7	Very high	97.3	Very high	17 Å²	17	39.6 Å²	39.6	18%	0.175	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-15.6	177.4	0	0	0	0	0	115.9	Q166 G179	Q166-G175 WeakPolarHBondContact CG-O 3.36Å; G175-G179 PolarHBondContact O-N 2.76Å; G175-G179 VanDerWaalsContact O-N 3.12Å
176	L	97	Very high	97.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-50.4	-175.7	-55.7	-175.3	0	0	0	112.9	L36 R39 L40 L133 C168 Q174 G179 L180	L36-L176 HydrophobicContact CD2-CD1 4.02Å; L36-L176 HydrophobicContact CD2-CD2 3.15Å; L36-L176 HydrophobicContact CD2-CG 4.2Å; L36-L176 HydrophobicContact CG-CD2 4.5Å; R39-L176 HydrophobicContact CB-CD1 4.12Å; R39-L176 HydrophobicContact CG-CD1 3.57Å; L40-L176 HydrophobicContact CD2-CB 3.84Å; L40-L176 HydrophobicContact CD2-CD1 4.33Å; L40-L176 HydrophobicContact CG-CB 4.39Å; L40-L176 HydrophobicContact CG-CD1 4.11Å; L133-L176 HydrophobicContact CD1-CD2 4.45Å; C168-L176 HydrophobicContact CB-CD2 3.55Å; C168-L176 HydrophobicContact CB-CG 4.44Å; Q174-L176 PolarHBondContact O-N 2.57Å; Q174-L176 VanDerWaalsContact O-N 3.12Å; L176-G179 PolarHBondContact O-N 2.62Å; L176-L180 WeakPolarHBondContact O-CG 3.26Å; L176-L180 PolarHBondContact O-N 3.12Å
177	Q	95.2	Very high	97.2	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-50	-178.3	176.7	62.7	33.7	0	0	111.8	A62 G179 L180 E181	A62-Q177 PolarHBondContact O-NE2 3.38Å; Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 2.94Å; Q177-L180 PolarHBondContact O-N 2.9Å; Q177-E181 PolarHBondContact NE2-OE1 2.89Å; Q177-E181 WeakPolarHBondContact O-CG 3.47Å; Q177-E181 PolarHBondContact O-N 3.29Å
178	P	96.3	Very high	97	Very high	59 Å²	59	40.9 Å²	40.9	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-56.3	-40.1	173	-26.9	34.6	0	0	0	114.1	E181 K182	P178-E181 PolarHBondContact O-N 2.84Å; P178-K182 PolarHBondContact O-N 3.18Å
179	G	97.8	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-46.3	177.3	0	0	0	0	0	112.7	L131 G175 L176 Q177 E181 K182 L183	L131-G179 WeakPolarHBondContact CD1-O 3.44Å; L131-G179 VanDerWaalsContact CD2-C 3.48Å; L131-G179 VanDerWaalsContact CD2-O 3.3Å; L131-G179 WeakPolarHBondContact CD2-O 3.48Å; G175-G179 PolarHBondContact O-N 2.76Å; G175-G179 VanDerWaalsContact O-N 3.12Å; L176-G179 PolarHBondContact O-N 2.62Å; Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 2.94Å; G179-E181 VanDerWaalsContact C-N 3.34Å; G179-E181 PolarHBondContact O-N 3.11Å; G179-K182 PolarHBondContact O-N 3.38Å; G179-L183 PolarHBondContact O-N 2.88Å
180	L	96.8	Very high	96.7	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-34.3	178	-65.2	-175.9	0	0	0	112.9	L40 I59 V61 F72 L131 L176 Q177 L183 Y184	L40-L180 HydrophobicContact CD1-CD1 3.74Å; L40-L180 HydrophobicContact CD2-CD1 3.51Å; L40-L180 HydrophobicContact CG-CD1 4.24Å; I59-L180 HydrophobicContact CD1-CD1 3.98Å; V61-L180 HydrophobicContact CG1-CB 3.75Å; V61-L180 HydrophobicContact CG1-CD1 4.31Å; V61-L180 HydrophobicContact CG2-CB 4.45Å; V61-L180 HydrophobicContact CG2-CD1 3.81Å; F72-L180 HydrophobicContact CD2-CD2 4.46Å; F72-L180 HydrophobicContact CE2-CB 4.39Å; F72-L180 HydrophobicContact CE2-CD2 4.11Å; L131-L180 HydrophobicContact CD2-CD2 4.32Å; L176-L180 WeakPolarHBondContact O-CG 3.26Å; L176-L180 PolarHBondContact O-N 3.12Å; Q177-L180 PolarHBondContact O-N 2.9Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-Y184 WeakPolarHBondContact O-CB 3.25Å; L180-Y184 PolarHBondContact O-N 3.02Å
181	E	95.4	Very high	96.4	Very high	60 Å²	60	52.1 Å²	52.1	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-44.5	171.5	-74.4	171.4	-164.4	0	0	111.1	A62 Q177 P178 G179 Y184 E185	A62-E181 WeakPolarHBondContact O-CG 3.45Å; Q177-E181 PolarHBondContact NE2-OE1 2.89Å; Q177-E181 WeakPolarHBondContact O-CG 3.47Å; Q177-E181 PolarHBondContact O-N 3.29Å; P178-E181 PolarHBondContact O-N 2.84Å; G179-E181 VanDerWaalsContact C-N 3.34Å; G179-E181 PolarHBondContact O-N 3.11Å; E181-Y184 WeakPolarHBondContact O-CB 3.49Å; E181-Y184 PolarHBondContact O-N 3.21Å; E181-E185 WeakPolarHBondContact O-CG 3.46Å; E181-E185 PolarHBondContact O-N 3.03Å
182	K	97.5	Very high	96.2	Very high	79 Å²	79	54.7 Å²	54.7	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-40.1	174.4	-70.5	-41.4	-173.8	-166.5	0	113.3	H164 P178 G179 Y184 E185 M186	H164-K182 HydrophobicContact CB-CB 4.41Å; P178-K182 PolarHBondContact O-N 3.18Å; G179-K182 PolarHBondContact O-N 3.38Å; K182-Y184 VanDerWaalsContact C-N 3.32Å; K182-Y184 PolarHBondContact O-N 2.99Å; K182-E185 VanDerWaalsContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CD-OE2 3.42Å; K182-E185 IonicContact NZ-OE1 2.69Å; K182-E185 PolarHBondContact NZ-OE1 2.95Å; K182-E185 IonicContact NZ-OE2 3.11Å; K182-E185 PolarHBondContact NZ-OE2 2.84Å; K182-E185 PolarHBondContact O-N 3.11Å; K182-M186 VanDerWaalsContact O-CG 3.32Å; K182-M186 WeakPolarHBondContact O-CG 3.35Å; K182-M186 PolarHBondContact O-N 3.12Å
183	L	98.1	Very high	95.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-46.7	172.9	-177.6	59.2	0	0	0	111.2	V23 F72 V98 P129 L131 G179 L180 E185 M186 I187	V23-L183 HydrophobicContact CG1-CD2 3.94Å; V23-L183 HydrophobicContact CG2-CD2 4.31Å; F72-L183 HydrophobicContact CE2-CD2 4.11Å; V98-L183 HydrophobicContact CG2-CD2 3.61Å; P129-L183 HydrophobicContact CB-CD1 4.32Å; L131-L183 HydrophobicContact CB-CB 4.11Å; L131-L183 HydrophobicContact CB-CD1 4.1Å; L131-L183 HydrophobicContact CB-CD2 4.41Å; L131-L183 HydrophobicContact CB-CG 4.44Å; L131-L183 HydrophobicContact CD2-CB 4.16Å; G179-L183 PolarHBondContact O-N 2.88Å; L180-L183 PolarHBondContact O-N 3.49Å; L183-E185 PolarHBondContact O-N 3.11Å; L183-M186 HydrophobicContact CD1-CE 4.33Å; L183-M186 PolarHBondContact O-N 2.76Å; L183-I187 HydrophobicContact CD1-CD1 4.2Å; L183-I187 HydrophobicContact CD1-CG1 4.33Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 HydrophobicContact CG-CG1 4.44Å; L183-I187 VanDerWaalsContact O-CG1 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.37Å; L183-I187 PolarHBondContact O-N 3Å
184	Y	96.4	Very high	95.5	Very high	53 Å²	53	59.9 Å²	59.9	21%	0.208	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-49	177.3	176.4	-109.3	0	0	0	112.3	L21 V63 T70 F72 L180 E181 K182 M186 I187 L188	L21-Y184 HydrophobicContact CD1-CD2 3.57Å; L21-Y184 HydrophobicContact CD1-CE2 3.89Å; V63-Y184 HydrophobicContact CB-CD1 3.66Å; V63-Y184 HydrophobicContact CB-CE1 3.65Å; V63-Y184 HydrophobicContact CB-CG 4.31Å; V63-Y184 HydrophobicContact CG1-CD1 3.46Å; V63-Y184 VanDerWaalsContact CG1-CD1 3.46Å; V63-Y184 HydrophobicContact CG1-CD2 4.21Å; V63-Y184 HydrophobicContact CG1-CE1 3.89Å; V63-Y184 HydrophobicContact CG1-CG 3.61Å; V63-Y184 HydrophobicContact CG2-CD1 4.21Å; V63-Y184 HydrophobicContact CG2-CE1 3.74Å; T70-Y184 HydrophobicContact CG2-CD2 3.85Å; T70-Y184 HydrophobicContact CG2-CE2 3.95Å; T70-Y184 HydrophobicContact CG2-CG 4.5Å; F72-Y184 HydrophobicContact CE1-CD2 4.29Å; L180-Y184 WeakPolarHBondContact O-CB 3.25Å; L180-Y184 PolarHBondContact O-N 3.02Å; E181-Y184 WeakPolarHBondContact O-CB 3.49Å; E181-Y184 PolarHBondContact O-N 3.21Å; K182-Y184 VanDerWaalsContact C-N 3.32Å; K182-Y184 PolarHBondContact O-N 2.99Å; Y184-M186 VanDerWaalsContact C-N 3.34Å; Y184-M186 PolarHBondContact O-N 2.77Å; Y184-I187 WeakPolarHBondContact O-CB 3.49Å; Y184-I187 PolarHBondContact O-N 2.74Å; Y184-L188 HydrophobicContact CD1-CD1 4.16Å; Y184-L188 HydrophobicContact CD2-CG 4.46Å; Y184-L188 HydrophobicContact CE1-CD1 3.48Å; Y184-L188 VanDerWaalsContact CE1-CD1 3.48Å; Y184-L188 HydrophobicContact CE1-CG 4.15Å; Y184-L188 HydrophobicContact CE2-CD1 4.17Å; Y184-L188 HydrophobicContact CE2-CD2 4.1Å; Y184-L188 HydrophobicContact CE2-CG 4.08Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.5Å; Y184-L188 WeakPolarHBondContact O-CG 3.35Å; Y184-L188 PolarHBondContact O-N 3Å
185	E	95.8	Very high	95.1	Very high	96 Å²	96	60.3 Å²	60.3	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-46.1	177	-72.4	174	-164	0	0	111.9	E181 K182 L183 I187 L188 K189	E181-E185 WeakPolarHBondContact O-CG 3.46Å; E181-E185 PolarHBondContact O-N 3.03Å; K182-E185 VanDerWaalsContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CD-OE2 3.42Å; K182-E185 IonicContact NZ-OE1 2.69Å; K182-E185 PolarHBondContact NZ-OE1 2.95Å; K182-E185 IonicContact NZ-OE2 3.11Å; K182-E185 PolarHBondContact NZ-OE2 2.84Å; K182-E185 PolarHBondContact O-N 3.11Å; L183-E185 PolarHBondContact O-N 3.11Å; E185-I187 PolarHBondContact O-N 3.22Å; E185-L188 PolarHBondContact O-N 3.03Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.02Å
186	M	97.9	Very high	94.4	Very high	20 Å²	20	64.3 Å²	64.3	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-38.7	178.9	-65.5	-170.8	-68.3	0	0	112.2	P129 L162 H164 K182 L183 Y184 K189 R190	P129-M186 HydrophobicContact CB-CB 3.65Å; P129-M186 HydrophobicContact CB-CE 4.37Å; P129-M186 HydrophobicContact CG-CB 4.17Å; L162-M186 HydrophobicContact CB-CB 4.04Å; L162-M186 HydrophobicContact CB-CG 4.01Å; L162-M186 HydrophobicContact CB-SD 3.68Å; L162-M186 HydrophobicContact CD1-CB 3.98Å; L162-M186 HydrophobicContact CD1-CG 4.39Å; L162-M186 WeakPolarHBondContact CD1-O 3.31Å; H164-M186 HydrophobicContact CB-CE 3.91Å; H164-M186 HydrophobicContact CB-SD 4.21Å; K182-M186 VanDerWaalsContact O-CG 3.32Å; K182-M186 WeakPolarHBondContact O-CG 3.35Å; K182-M186 PolarHBondContact O-N 3.12Å; L183-M186 HydrophobicContact CD1-CE 4.33Å; L183-M186 PolarHBondContact O-N 2.76Å; Y184-M186 VanDerWaalsContact C-N 3.34Å; Y184-M186 PolarHBondContact O-N 2.77Å; M186-K189 PolarHBondContact O-N 2.87Å; M186-R190 PolarHBondContact O-N 3.41Å
187	I	96.8	Very high	93.6	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-48.4	174.1	-69.7	170.1	0	0	0	110.5	L21 V23 D95 P129 L183 Y184 E185 K189 R190 K191	L21-I187 HydrophobicContact CD1-CD1 4.23Å; L21-I187 HydrophobicContact CD1-CG2 4.21Å; L21-I187 HydrophobicContact CD2-CG2 3.96Å; V23-I187 HydrophobicContact CG2-CD1 4.4Å; D95-I187 HydrophobicContact CB-CD1 4.15Å; D95-I187 HydrophobicContact CB-CG1 4.47Å; D95-I187 HydrophobicContact CB-CG2 4.05Å; D95-I187 WeakPolarHBondContact O-CG1 3.34Å; P129-I187 HydrophobicContact CG-CG1 4.25Å; L183-I187 HydrophobicContact CD1-CD1 4.2Å; L183-I187 HydrophobicContact CD1-CG1 4.33Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 HydrophobicContact CG-CG1 4.44Å; L183-I187 VanDerWaalsContact O-CG1 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.37Å; L183-I187 PolarHBondContact O-N 3Å; Y184-I187 WeakPolarHBondContact O-CB 3.49Å; Y184-I187 PolarHBondContact O-N 2.74Å; E185-I187 PolarHBondContact O-N 3.22Å; I187-K189 PolarHBondContact O-N 2.59Å; I187-R190 PolarHBondContact O-N 2.82Å; I187-K191 HydrophobicContact CG2-CD 4.2Å; I187-K191 WeakPolarHBondContact O-CG 3.3Å; I187-K191 PolarHBondContact O-N 3.34Å
188	L	94.6	Very high	92.6	Very high	78 Å²	78	72.4 Å²	72.4	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-43	178.5	-68.1	-169.7	0	0	0	111.9	Y184 E185 R190 K191 K192	Y184-L188 HydrophobicContact CD1-CD1 4.16Å; Y184-L188 HydrophobicContact CD2-CG 4.46Å; Y184-L188 HydrophobicContact CE1-CD1 3.48Å; Y184-L188 VanDerWaalsContact CE1-CD1 3.48Å; Y184-L188 HydrophobicContact CE1-CG 4.15Å; Y184-L188 HydrophobicContact CE2-CD1 4.17Å; Y184-L188 HydrophobicContact CE2-CD2 4.1Å; Y184-L188 HydrophobicContact CE2-CG 4.08Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.5Å; Y184-L188 WeakPolarHBondContact O-CG 3.35Å; Y184-L188 PolarHBondContact O-N 3Å; E185-L188 PolarHBondContact O-N 3.03Å; L188-R190 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.46Å; L188-K192 WeakPolarHBondContact O-CB 3.2Å; L188-K192 PolarHBondContact O-N 2.95Å
189	K	95.6	Very high	91.3	Very high	122 Å²	122	77.8 Å²	77.8	53%	0.53	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-47.6	176.6	-174.9	174.5	177.2	-177.2	0	110.9	L162 E185 M186 I187 K192 L193	L162-K189 HydrophobicContact CD1-CB 4Å; L162-K189 HydrophobicContact CD1-CD 3.86Å; L162-K189 HydrophobicContact CD1-CG 4.02Å; L162-K189 HydrophobicContact CD2-CD 4.34Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.02Å; M186-K189 PolarHBondContact O-N 2.87Å; I187-K189 PolarHBondContact O-N 2.59Å; K189-K192 WeakPolarHBondContact O-CB 3.14Å; K189-K192 PolarHBondContact O-N 3.38Å; K189-L193 HydrophobicContact CG-CD1 4.43Å; K189-L193 WeakPolarHBondContact O-CG 3.25Å; K189-L193 PolarHBondContact O-N 3.09Å
190	R	94.9	Very high	89.5	Confident	49 Å²	49	86.8 Å²	86.8	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-60.1	-48.4	175.5	-177.8	-174.9	-175.3	-156.1	10.2	112.2	Q126 G127 V128 P129 M186 I187 L188 K192 L193 L194	Q126-R190 PolarHBondContact O-NH2 3.23Å; G127-R190 WeakPolarHBondContact O-CD 3.41Å; G127-R190 PolarHBondContact O-NE 2.78Å; V128-R190 VanDerWaalsContact CA-CZ 3.46Å; P129-R190 HydrophobicContact CG-CB 4.21Å; M186-R190 PolarHBondContact O-N 3.41Å; I187-R190 PolarHBondContact O-N 2.82Å; L188-R190 PolarHBondContact O-N 2.84Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 3.5Å; R190-L193 PolarHBondContact O-N 2.91Å; R190-L193 VanDerWaalsContact O-N 3.12Å; R190-L194 HydrophobicContact CG-CD1 4.08Å; R190-L194 HydrophobicContact CG-CG 4.4Å; R190-L194 WeakPolarHBondContact O-CG 3.25Å; R190-L194 PolarHBondContact O-N 3.28Å
191	K	92.9	Very high	87.4	Confident	73 Å²	73	99.5 Å²	99.5	32%	0.317	44%	0.444	S	S	.	.	H	α-helix	trans	-57.8	-40.1	178.1	-74.9	-176.5	177.7	-175.7	0	111.5	D95 I187 L188 R195	D95-K191 WeakPolarHBondContact OD1-CE 3.3Å; D95-K191 IonicContact OD1-NZ 3.01Å; D95-K191 PolarHBondContact OD1-NZ 3.42Å; D95-K191 IonicContact OD2-NZ 2.6Å; I187-K191 HydrophobicContact CG2-CD 4.2Å; I187-K191 WeakPolarHBondContact O-CG 3.3Å; I187-K191 PolarHBondContact O-N 3.34Å; L188-K191 PolarHBondContact O-N 3.46Å; K191-R195 WeakPolarHBondContact O-CG 3.19Å; K191-R195 PolarHBondContact O-N 3.14Å; K191-R195 VanDerWaalsContact O-N 3.17Å
192	K	92.6	Very high	87	Confident	137 Å²	137	101.5 Å²	101.5	60%	0.596	45%	0.452	S	S	*	.	H	α-helix	trans	-62.2	-48.6	174.4	-171.6	177.6	179	-179.6	0	111.3	L188 K189 R190 L194 R195 H196	L188-K192 WeakPolarHBondContact O-CB 3.2Å; L188-K192 PolarHBondContact O-N 2.95Å; K189-K192 WeakPolarHBondContact O-CB 3.14Å; K189-K192 PolarHBondContact O-N 3.38Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 3.5Å; K192-L194 PolarHBondContact O-N 2.94Å; K192-R195 PolarHBondContact O-N 2.56Å; K192-H196 PolarHBondContact O-N 2.88Å; K192-H196 PolarHBondContact O-ND1 3.27Å
193	L	90.4	Very high	86.4	Confident	107 Å²	107	102.7 Å²	102.7	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-59.5	-45.9	179.5	-69.1	170.2	0	0	0	112.3	K189 R190 R195 H196 S197	K189-L193 HydrophobicContact CG-CD1 4.43Å; K189-L193 WeakPolarHBondContact O-CG 3.25Å; K189-L193 PolarHBondContact O-N 3.09Å; R190-L193 PolarHBondContact O-N 2.91Å; R190-L193 VanDerWaalsContact O-N 3.12Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.45Å; L193-H196 PolarHBondContact O-N 3.48Å; L193-S197 PolarHBondContact O-N 2.98Å
194	L	88.6	Confident	85.8	Confident	96 Å²	96	108.4 Å²	108.4	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-38	178.8	-68.5	174.9	0	0	0	112.6	R190 K192 S197 K198	R190-L194 HydrophobicContact CG-CD1 4.08Å; R190-L194 HydrophobicContact CG-CG 4.4Å; R190-L194 WeakPolarHBondContact O-CG 3.25Å; R190-L194 PolarHBondContact O-N 3.28Å; K192-L194 PolarHBondContact O-N 2.94Å; L194-S197 PolarHBondContact O-N 3.24Å; L194-K198 WeakPolarHBondContact O-CG 3.22Å; L194-K198 PolarHBondContact O-N 2.82Å
195	R	88.6	Confident	85.2	Confident	144 Å²	144	111.6 Å²	111.6	54%	0.543	50%	0.499	S	S	.	.	H	α-helix	trans	-65.3	-38.6	175.5	-72.4	175	72.5	-172.8	3.8	112.4	K191 K192 L193 K198 K199	K191-R195 WeakPolarHBondContact O-CG 3.19Å; K191-R195 PolarHBondContact O-N 3.14Å; K191-R195 VanDerWaalsContact O-N 3.17Å; K192-R195 PolarHBondContact O-N 2.56Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.45Å; R195-K198 PolarHBondContact O-N 3.49Å; R195-K199 PolarHBondContact O-N 3.43Å
196	H	82.6	Confident	84.5	Confident	100 Å²	100	112.6 Å²	112.6	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-70.5	-37.3	178.4	-72.4	78.3	0	0	0	111.8	K192 L193 K198 K199 K200	K192-H196 PolarHBondContact O-N 2.88Å; K192-H196 PolarHBondContact O-ND1 3.27Å; L193-H196 PolarHBondContact O-N 3.48Å; H196-K198 VanDerWaalsContact C-N 3.3Å; H196-K198 PolarHBondContact O-N 2.59Å; H196-K199 PolarHBondContact O-N 3.24Å; H196-K200 PolarHBondContact O-N 2.8Å
197	S	80	Confident	83.6	Confident	70 Å²	70	118.8 Å²	118.8	49%	0.49	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-35.1	175.1	-180	0	0	0	0	112.8	L193 L194	L193-S197 PolarHBondContact O-N 2.98Å; L194-S197 PolarHBondContact O-N 3.24Å
198	K	74.5	Confident	82.7	Confident	168 Å²	168	127.2 Å²	127.2	73%	0.73	57%	0.567	S	S	*	*	H	α-helix	trans	-72.7	-26.6	176.9	-71.5	-175.2	-179.8	-171.7	0	114.1	L194 R195 H196	L194-K198 WeakPolarHBondContact O-CG 3.22Å; L194-K198 PolarHBondContact O-N 2.82Å; R195-K198 PolarHBondContact O-N 3.49Å; H196-K198 VanDerWaalsContact C-N 3.3Å; H196-K198 PolarHBondContact O-N 2.59Å
199	K	68.9	Low	81.7	Confident	173 Å²	173	131 Å²	131	75%	0.752	58%	0.579	S	S	*	*	H	α-helix	trans	-81.2	-16	178.1	-73.4	-174.6	174.6	-166.6	0	113.8	R195 H196	R195-K199 PolarHBondContact O-N 3.43Å; H196-K199 PolarHBondContact O-N 3.24Å
200	K	60.3	Low	80.6	Confident	189 Å²	189	131.8 Å²	131.8	82%	0.822	58%	0.583	S	S	*	*			trans	-96.5	-2.8	179.6	-71.6	-172.9	174.6	-170	0	113.3	H196	H196-K200 PolarHBondContact O-N 2.8Å
201	R	52.7	Low	79.3	Confident	275 Å²	275	139.3 Å²	139.3	100%	1.038	62%	0.619	S	S	*	*			trans	-105.7	0	173.8	-78.5	-178.7	142.4	-174.1	-5.3	108.2

Retrieved 201 of 201 residues in 470.7 ms (Link to these results)

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