A0A3Q0KVF4_SCHMA Loading...

Methylmalonyl-CoA epimerase, mitochondrial AlphaSync

Methylmalonyl-CoA epimerase involved in propionyl-CoA metabolism.

AlphaFold DB , UniProt , Accession A0A3Q0KVF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	L	39.2	Very low	44	Very low	229 Å²	229	152.7 Å²	152.7	100%	1.199	81%	0.808	S	S	*	*				0	69.7	0	-73.5	159	0	0	0	109.5
2	C	40.3	Very low	44.7	Very low	124 Å²	124	149 Å²	149	84%	0.838	80%	0.795	S	S	*	*			trans	-99	109.7	170	-162.2	0	0	0	0	106.2	I4	C2-I4 PolarHBondContact O-N 2.84Å; C2-I4 VanDerWaalsContact O-N 3.1Å
3	K	44.8	Very low	44.9	Very low	200 Å²	200	153.7 Å²	153.7	87%	0.87	80%	0.795	S	S	*	*			trans	-67.1	107.8	178.9	-68	-175.4	177.6	-177.6	0	107.7	N5	K3-N5 PolarHBondContact O-N 2.94Å
4	I	44	Very low	45.3	Very low	161 Å²	161	149.8 Å²	149.8	83%	0.826	79%	0.786	S	S	*	*			trans	-64.5	114.3	168.4	-60.6	169	0	0	0	105.9	C2 P6	C2-I4 PolarHBondContact O-N 2.84Å; C2-I4 VanDerWaalsContact O-N 3.1Å; I4-P6 WeakPolarHBondContact O-CD 3.46Å
5	N	35	Very low	45.8	Very low	121 Å²	121	146.9 Å²	146.9	65%	0.647	78%	0.784	S	S	*	*			trans	-77.4	118	179.5	-173.1	-13.3	0	0	0	109.1	K3 V7	K3-N5 PolarHBondContact O-N 2.94Å; N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 3.19Å; N5-V7 WeakPolarHBondContact OD1-CB 3.39Å; N5-V7 WeakPolarHBondContact OD1-CG2 3.48Å; N5-V7 PolarHBondContact OD1-N 3.05Å
6	P	40.6	Very low	46.2	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	77%	0.765	S	S	*	*			trans	-89.5	14.2	-176.6	34.5	-30.9	0	0	0	114.1	I4	I4-P6 WeakPolarHBondContact O-CD 3.46Å
7	V	48.1	Very low	47.3	Very low	107 Å²	107	142.6 Å²	142.6	65%	0.648	78%	0.775	S	S	*	*			trans	-97.5	107.9	176.8	-173.7	0	0	0	0	105.9	N5	N5-V7 VanDerWaalsContact C-N 3.31Å; N5-V7 PolarHBondContact O-N 3.19Å; N5-V7 WeakPolarHBondContact OD1-CB 3.39Å; N5-V7 WeakPolarHBondContact OD1-CG2 3.48Å; N5-V7 PolarHBondContact OD1-N 3.05Å
8	V	49.7	Very low	49	Very low	111 Å²	111	139.2 Å²	139.2	67%	0.673	76%	0.755	S	S	*	*				-164	108.3	66.9	171.8	0	0	0	0	107.7	S10	V8-S10 PolarHBondContact O-N 3.44Å
9	R	48.2	Very low	51.3	Low	259 Å²	259	135.6 Å²	135.6	98%	0.977	74%	0.742	S	S	*	*			trans	-91.2	60.3	158.4	-78.6	-171.6	177.8	-173.9	0.1	109
10	S	45.9	Very low	53.5	Low	76 Å²	76	130.5 Å²	130.5	53%	0.531	71%	0.711	S	S	.	*			trans	-100.4	92.9	161.4	-165.7	0	0	0	0	105.8	V8 V12	V8-S10 PolarHBondContact O-N 3.44Å; S10-V12 PolarHBondContact O-N 3.35Å; S10-V12 WeakPolarHBondContact OG-CG2 3.26Å
11	L	48	Very low	55.5	Low	171 Å²	171	129 Å²	129	90%	0.895	70%	0.698	S	S	*	*			trans	-62.2	83.2	152	-86.5	154.2	0	0	0	104.7	R13	L11-R13 PolarHBondContact O-N 3.45Å
12	V	52.7	Low	58.2	Low	108 Å²	108	122.9 Å²	122.9	66%	0.655	67%	0.666	S	S	*	*			trans	-64.4	86.6	162.2	-179.5	0	0	0	0	103.7	S10 C14	S10-V12 PolarHBondContact O-N 3.35Å; S10-V12 WeakPolarHBondContact OG-CG2 3.26Å; V12-C14 PolarHBondContact O-N 2.85Å
13	R	47.9	Very low	60.8	Low	210 Å²	210	119.9 Å²	119.9	79%	0.792	64%	0.643	S	S	*	*			trans	-54.7	116.4	152.7	-91.3	-176.7	167.4	-152.9	-3.3	103.3	L11 S15	L11-R13 PolarHBondContact O-N 3.45Å; R13-S15 PolarHBondContact O-N 2.83Å; R13-S15 PolarHBondContact O-OG 2.92Å; R13-S15 VanDerWaalsContact O-OG 3.08Å
14	C	50.6	Low	63.2	Low	99 Å²	99	115.8 Å²	115.8	67%	0.669	63%	0.626	S	S	*	*			trans	-62.9	83.7	163.6	-68.9	0	0	0	0	105.8	V12 G16	V12-C14 PolarHBondContact O-N 2.85Å; C14-G16 PolarHBondContact O-N 2.98Å
15	S	51.9	Low	65.8	Low	107 Å²	107	111.5 Å²	111.5	75%	0.748	60%	0.604	S	S	*	*			trans	-75.9	22.8	-178.4	-48.4	0	0	0	0	111.9	R13	R13-S15 PolarHBondContact O-N 2.83Å; R13-S15 PolarHBondContact O-OG 2.92Å; R13-S15 VanDerWaalsContact O-OG 3.08Å
16	G	53.1	Low	68.8	Low	47 Å²	47	106.8 Å²	106.8	49%	0.485	58%	0.578	S	S	.	*	S	Bend	trans	-65.7	135.9	161	0	0	0	0	0	107	C14 N18	C14-G16 PolarHBondContact O-N 2.98Å; G16-N18 PolarHBondContact O-N 3.45Å
17	N	65.2	Low	71.6	Confident	174 Å²	174	101.1 Å²	101.1	93%	0.93	54%	0.541	S	S	*	.			trans	-68	75.8	164.1	-153.7	21.3	0	0	0	106.4	S19	N17-S19 PolarHBondContact O-N 3.23Å
18	N	77.4	Confident	74	Confident	80 Å²	80	97.5 Å²	97.5	43%	0.428	52%	0.52	S	S	.	.			trans	-69.2	131.4	-179.6	-74.9	-13.3	0	0	0	106.4	G16 W20	G16-N18 PolarHBondContact O-N 3.45Å; N18-W20 WeakPolarHBondContact CB-O 3.35Å; N18-W20 PolarHBondContact O-N 2.83Å
19	S	91.6	Very high	76.3	Confident	72 Å²	72	92.2 Å²	92.2	50%	0.503	49%	0.488	S	S	.	.	S	Bend	trans	-70	9.5	177	57.3	0	0	0	0	113.5	N17 N109	N17-S19 PolarHBondContact O-N 3.23Å; S19-N109 WeakPolarHBondContact CB-ND2 3.38Å; S19-N109 WeakPolarHBondContact O-CB 3.47Å; S19-N109 PolarHBondContact O-ND2 2.88Å; S19-N109 WeakPolarHBondContact OG-CB 3.36Å
20	W	95.5	Very high	78.7	Confident	33 Å²	33	81.4 Å²	81.4	13%	0.125	45%	0.449	C	S	.	.			trans	-157.7	156.4	173.5	68.6	-82.2	0	0	0	109.8	N18 I22 V104 D105 N106 N109 C110 H113	N18-W20 WeakPolarHBondContact CB-O 3.35Å; N18-W20 PolarHBondContact O-N 2.83Å; W20-I22 HydrophobicContact CZ3-CG1 3.84Å; W20-V104 HydrophobicContact CE3-CB 4.29Å; W20-V104 HydrophobicContact CE3-CG1 3.87Å; W20-V104 HydrophobicContact CZ3-CG1 3.76Å; W20-D105 WeakPolarHBondContact CA-OD1 3.46Å; W20-D105 VanDerWaalsContact CB-OD1 3.32Å; W20-D105 WeakPolarHBondContact CB-OD1 3.42Å; W20-N106 HydrophobicContact CB-CB 4.11Å; W20-N106 WeakPolarHBondContact CB-O 3.32Å; W20-N109 HydrophobicContact CB-CB 4.1Å; W20-N109 HydrophobicContact CG-CB 4.46Å; W20-C110 HydrophobicContact CB-CB 4.43Å; W20-C110 HydrophobicContact CD2-CB 3.6Å; W20-C110 HydrophobicContact CE3-CB 3.8Å; W20-C110 HydrophobicContact CG-CB 3.89Å; W20-C110 WeakPolarHBondContact CH2-SG 3.33Å; W20-C110 HydrophobicContact CZ2-CB 4.34Å; W20-C110 VanDerWaalsContact CZ2-SG 3.59Å; W20-C110 HydrophobicContact CZ3-CB 4.26Å; W20-C110 WeakPolarHBondContact CZ3-SG 3.33Å; W20-H113 AromaticContact CE2-ND1 3.5Å; W20-H113 AromaticContact CZ2-ND1 3.31Å; W20-H113 VanDerWaalsContact CZ2-ND1 3.31Å; W20-H113 WeakPolarHBondContact CZ2-ND1 3.07Å; W20-H113 AromaticContact NE1-CG 3.61Å; W20-H113 AromaticContact NE1-ND1 3.17Å; W20-H113 PolarHBondContact NE1-ND1 2.85Å; W20-H113 VanDerWaalsContact NE1-ND1 3.17Å
21	K	95.5	Very high	81.2	Confident	98 Å²	98	77.8 Å²	77.8	43%	0.426	42%	0.424	S	S	.	.			trans	-141.9	155.9	172	77.4	-158.8	-172.6	-160.7	0	111.2	T23 V104 D105 E155	K21-T23 HydrophobicContact CG-CG2 4.37Å; K21-V104 WeakPolarHBondContact O-CA 3.45Å; K21-D105 WeakPolarHBondContact CG-OD2 3.39Å; K21-D105 VanDerWaalsContact N-CG 3.25Å; K21-D105 PolarHBondContact N-OD1 2.82Å; K21-D105 PolarHBondContact N-OD2 3.34Å; K21-D105 PolarHBondContact O-N 3.31Å; K21-E155 VanDerWaalsContact CE-CD 3.44Å; K21-E155 WeakPolarHBondContact CE-OE1 3.43Å; K21-E155 IonicContact NZ-OE1 2.74Å; K21-E155 PolarHBondContact NZ-OE1 3.01Å; K21-E155 IonicContact NZ-OE2 3.88Å; K21-E155 PolarHBondContact NZ-OE2 3.47Å
22	I	96.1	Very high	83.6	Confident	102 Å²	102	70.1 Å²	70.1	52%	0.523	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.6	167.1	-61.5	175.7	0	0	0	107.8	W20 V102 E103 V104	W20-I22 HydrophobicContact CZ3-CG1 3.84Å; I22-V102 HydrophobicContact CG2-CB 4.31Å; I22-E103 VanDerWaalsContact CA-O 3.29Å; I22-E103 WeakPolarHBondContact CA-O 2.7Å; I22-V104 HydrophobicContact CG1-CG1 4.19Å
23	T	95.3	Very high	85.7	Confident	60 Å²	60	68.1 Å²	68.1	37%	0.368	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-60.4	-179	56.3	0	0	0	0	111.4	K21 E103 D105	K21-T23 HydrophobicContact CG-CG2 4.37Å; T23-E103 PolarHBondContact N-O 3.48Å; T23-E103 WeakPolarHBondContact OG1-CB 3.38Å; T23-E103 PolarHBondContact OG1-OE2 3.5Å; T23-D105 HydrophobicContact CG2-CB 4.3Å
24	K	95.7	Very high	88.1	Confident	115 Å²	115	61.8 Å²	61.8	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.1	-179.6	62.5	-177	-175.9	-174.3	0	113.2	N26 V102 E103	K24-N26 PolarHBondContact O-N 2.77Å; K24-V102 WeakPolarHBondContact O-CA 3.4Å; K24-E103 WeakPolarHBondContact CE-OE1 3.48Å; K24-E103 WeakPolarHBondContact CE-OE2 3.46Å; K24-E103 HydrophobicContact CG-CB 4.28Å; K24-E103 HydrophobicContact CG-CG 3.97Å; K24-E103 VanDerWaalsContact CG-OE2 3.23Å; K24-E103 WeakPolarHBondContact CG-OE2 3.21Å; K24-E103 IonicContact NZ-OE1 3.76Å; K24-E103 PolarHBondContact O-N 2.91Å
25	L	98.2	Very high	90.3	Very high	71 Å²	71	57.5 Å²	57.5	37%	0.372	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122	158	178.7	71.5	0	0	0	107.2	V28 A71 C101 V102	L25-V28 HydrophobicContact CD2-CG2 4.46Å; L25-A71 HydrophobicContact CD2-CB 3.88Å; L25-A71 HydrophobicContact CG-CB 4.1Å; L25-C101 WeakPolarHBondContact CD1-O 3.44Å; L25-V102 HydrophobicContact CD1-CG1 4.17Å
26	N	98	Very high	92.5	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.112	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-60	176.4	-174.2	-72.9	0	0	0	109.6	K24 N72 C101 E103 E151	K24-N26 PolarHBondContact O-N 2.77Å; N26-N72 PolarHBondContact O-N 3.09Å; N26-C101 HydrophobicContact CB-CB 4.32Å; N26-C101 PolarHBondContact N-O 3.22Å; N26-E103 HydrophobicContact CB-CG 3.77Å; N26-E103 PolarHBondContact ND2-OE1 2.88Å; N26-E151 PolarHBondContact ND2-OE1 3.19Å
27	H	98.6	Very high	94.7	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	162.9	-178	67	-95.8	0	0	0	114.3	N72 E74 H99 C101 E149	H27-N72 CarbonylContact C-O 3.53Å; H27-N72 WeakPolarHBondContact CA-O 3.24Å; H27-N72 HydrophobicContact CB-CB 4.04Å; H27-N72 WeakPolarHBondContact CB-O 3.26Å; H27-E74 HydrophobicContact CB-CB 4.39Å; H27-E74 IonicContact CD2-OE2 3.65Å; H27-E74 IonicContact CE1-OE2 2.78Å; H27-E74 IonicContact NE2-OE2 3.84Å; H27-H99 AromaticContact NE2-CD2 3.79Å; H27-H99 AromaticContact NE2-NE2 3.29Å; H27-H99 PolarHBondContact NE2-NE2 3.47Å; H27-C101 WeakPolarHBondContact CE1-CB 3.35Å; H27-C101 VanDerWaalsContact CE1-SG 3.52Å; H27-C101 PolarHBondContact N-O 2.99Å; H27-C101 WeakPolarHBondContact ND1-CB 3.46Å; H27-C101 WeakPolarHBondContact NE2-CB 3.15Å; H27-C101 PolarHBondContact O-N 3.09Å; H27-E149 IonicContact CE1-OE2 2.97Å; H27-E149 PolarHBondContact CE1-OE2 3.26Å; H27-E149 IonicContact NE2-OE2 2.83Å
28	V	98.8	Very high	96.3	Very high	31 Å²	31	54.3 Å²	54.3	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.4	165	179.3	0	0	0	0	107.9	L25 I30 N72 I73 E74 L97 L100	L25-V28 HydrophobicContact CD2-CG2 4.46Å; V28-I30 HydrophobicContact CG1-CG1 4.48Å; V28-N72 PolarHBondContact N-O 3.33Å; V28-I73 WeakPolarHBondContact O-CA 3.13Å; V28-E74 PolarHBondContact O-N 3.17Å; V28-L97 HydrophobicContact CG1-CD1 3.79Å; V28-L97 HydrophobicContact CG1-CG 3.93Å; V28-L100 HydrophobicContact CB-CD2 4.24Å; V28-L100 HydrophobicContact CG1-CD2 3.93Å; V28-L100 HydrophobicContact CG2-CD2 3.65Å
29	A	98.6	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.2	178.7	0	0	0	0	0	111.5	E74 I76 H98 H99	A29-E74 CarbonylContact C-O 3.39Å; A29-E74 WeakPolarHBondContact CA-O 3.46Å; A29-E74 HydrophobicContact CB-CB 4.35Å; A29-I76 HydrophobicContact CB-CD1 4.47Å; A29-H98 HydrophobicContact CB-CB 4.49Å; A29-H98 PolarHBondContact O-N 2.74Å; A29-H99 WeakPolarHBondContact CB-CE1 3.39Å; A29-H99 WeakPolarHBondContact CB-NE2 3.4Å; A29-H99 PolarHBondContact N-O 3.21Å
30	I	98.7	Very high	97.6	Very high	33 Å²	33	48.5 Å²	48.5	17%	0.169	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.9	176.6	-56.5	-178.5	0	0	0	107.8	V28 V32 I73 E74 L75 I76 G96	V28-I30 HydrophobicContact CG1-CG1 4.48Å; I30-V32 HydrophobicContact CG2-CG1 3.83Å; I30-I73 HydrophobicContact CD1-CG2 3.6Å; I30-I73 HydrophobicContact CG1-CG2 3.99Å; I30-E74 PolarHBondContact N-O 2.94Å; I30-L75 HydrophobicContact CB-CD2 4.18Å; I30-I76 PolarHBondContact O-N 2.86Å; I30-G96 WeakPolarHBondContact CA-O 3.31Å
31	V	98.6	Very high	97.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.6	170.3	173.9	0	0	0	0	107.9	I76 I85 F88 I89 G95 G96 H98	V31-I76 CarbonylContact C-O 3.56Å; V31-I76 VanDerWaalsContact CA-O 3.3Å; V31-I76 WeakPolarHBondContact CA-O 3.44Å; V31-I76 HydrophobicContact CB-CG1 4.31Å; V31-I76 HydrophobicContact CG2-CD1 3.71Å; V31-I76 HydrophobicContact CG2-CG1 3.67Å; V31-I85 HydrophobicContact CG1-CD1 4.36Å; V31-I85 HydrophobicContact CG2-CB 4.15Å; V31-I85 HydrophobicContact CG2-CD1 4.16Å; V31-I85 HydrophobicContact CG2-CG2 4.19Å; V31-F88 HydrophobicContact CB-CD1 3.63Å; V31-F88 HydrophobicContact CB-CE1 3.88Å; V31-F88 HydrophobicContact CG1-CD1 3.87Å; V31-F88 HydrophobicContact CG2-CD1 3.85Å; V31-F88 HydrophobicContact CG2-CE1 4.26Å; V31-F88 HydrophobicContact CG2-CG 4.36Å; V31-I89 HydrophobicContact CG1-CB 4.22Å; V31-I89 HydrophobicContact CG1-CD1 3.91Å; V31-G95 CarbonylContact O-C 3.4Å; V31-G95 WeakPolarHBondContact O-CA 3.14Å; V31-G96 PolarHBondContact N-O 2.88Å; V31-G96 PolarHBondContact O-N 3.37Å; V31-H98 HydrophobicContact CG2-CB 3.68Å
32	V	98.6	Very high	97.9	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	25%	0.25	C	S	.	.			trans	-125.8	143.5	-177.1	-61.3	0	0	0	0	111.2	I30 D34 L35 A38 L75 I76 Q77	I30-V32 HydrophobicContact CG2-CG1 3.83Å; V32-D34 VanDerWaalsContact C-N 3.34Å; V32-L35 HydrophobicContact CG2-CB 4.44Å; V32-L35 HydrophobicContact CG2-CD1 3.84Å; V32-A38 HydrophobicContact CB-CB 3.88Å; V32-A38 HydrophobicContact CG1-CB 3.67Å; V32-A38 HydrophobicContact CG2-CB 3.98Å; V32-L75 HydrophobicContact CG1-CD2 4.21Å; V32-I76 PolarHBondContact N-O 3.18Å; V32-Q77 HydrophobicContact CG2-CB 4.49Å
33	P	96.3	Very high	98	Very high	66 Å²	66	48.4 Å²	48.4	43%	0.429	24%	0.241	S	C	.	.	S	Bend	trans	-72.4	-31.2	178.2	27.4	-33.2	0	0	0	112.2	Q77 I89	P33-Q77 PolarHBondContact O-NE2 2.99Å; P33-I89 HydrophobicContact CB-CD1 3.99Å
34	D	97.3	Very high	98.2	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	25%	0.245	S	C	.	.			trans	-136.1	112.3	-179.1	-177.6	-30.7	0	0	0	108.3	V32 E36 K37 A38	V32-D34 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact OD1-N 3.23Å; D34-K37 HydrophobicContact CB-CB 3.81Å; D34-K37 VanDerWaalsContact CG-CB 3.4Å; D34-K37 WeakPolarHBondContact OD1-CB 3.47Å; D34-K37 PolarHBondContact OD1-N 3.34Å; D34-A38 WeakPolarHBondContact O-CB 3.39Å; D34-A38 PolarHBondContact O-N 3.27Å
35	L	98.1	Very high	98.3	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-68.5	-44.4	-173.2	-169.9	62.7	0	0	0	112.3	V32 A38 A39 P53 I62 M64 L75 Q77	V32-L35 HydrophobicContact CG2-CB 4.44Å; V32-L35 HydrophobicContact CG2-CD1 3.84Å; L35-A38 PolarHBondContact O-N 2.86Å; L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.1Å; L35-A39 PolarHBondContact O-N 2.83Å; L35-P53 HydrophobicContact CD2-CB 4.23Å; L35-I62 HydrophobicContact CD2-CB 3.93Å; L35-I62 HydrophobicContact CD2-CG2 3.44Å; L35-I62 VanDerWaalsContact CD2-CG2 3.44Å; L35-M64 HydrophobicContact CD1-CB 4.37Å; L35-M64 HydrophobicContact CD1-CG 4.39Å; L35-M64 HydrophobicContact CD1-SD 4.31Å; L35-M64 HydrophobicContact CD2-CG 3.98Å; L35-M64 HydrophobicContact CD2-SD 3.9Å; L35-M64 HydrophobicContact CG-CG 4.15Å; L35-M64 HydrophobicContact CG-SD 3.66Å; L35-L75 HydrophobicContact CD1-CB 3.69Å; L35-L75 WeakPolarHBondContact CD1-O 3.38Å; L35-Q77 HydrophobicContact CB-CB 4Å; L35-Q77 HydrophobicContact CD1-CB 4.46Å
36	E	98.1	Very high	98.3	Very high	92 Å²	92	50.6 Å²	50.6	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-71	-38.5	-179.1	-178	56	-143.6	0	0	111	D34 A38 A39 S40 R43	D34-E36 PolarHBondContact OD1-N 3.23Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 3.44Å; E36-A39 PolarHBondContact O-N 3.02Å; E36-S40 WeakPolarHBondContact O-CB 3.25Å; E36-S40 PolarHBondContact O-N 2.93Å; E36-S40 PolarHBondContact O-OG 2.94Å; E36-R43 IonicContact OE1-CZ 3.82Å; E36-R43 IonicContact OE1-NH1 3.98Å; E36-R43 PolarHBondContact OE1-NH1 3.34Å; E36-R43 IonicContact OE1-NH2 3.87Å; E36-R43 PolarHBondContact OE1-NH2 3.26Å
37	K	98.3	Very high	98.3	Very high	149 Å²	149	57.4 Å²	57.4	65%	0.648	29%	0.285	S	S	*	.	H	α-helix	trans	-62.9	-40	174.3	-174.5	179.6	178.3	-179.6	0	111.7	D34 S40 F41	D34-K37 HydrophobicContact CB-CB 3.81Å; D34-K37 VanDerWaalsContact CG-CB 3.4Å; D34-K37 WeakPolarHBondContact OD1-CB 3.47Å; D34-K37 PolarHBondContact OD1-N 3.34Å; K37-S40 WeakPolarHBondContact CA-OG 3.09Å; K37-S40 PolarHBondContact O-OG 3.31Å; K37-F41 PolarHBondContact O-N 2.57Å
38	A	98.4	Very high	98.3	Very high	20 Å²	20	58.4 Å²	58.4	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-46.7	175.1	0	0	0	0	0	111.2	V32 D34 L35 E36 S40 F41 Y42 L75	V32-A38 HydrophobicContact CB-CB 3.88Å; V32-A38 HydrophobicContact CG1-CB 3.67Å; V32-A38 HydrophobicContact CG2-CB 3.98Å; D34-A38 WeakPolarHBondContact O-CB 3.39Å; D34-A38 PolarHBondContact O-N 3.27Å; L35-A38 PolarHBondContact O-N 2.86Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 3.44Å; A38-S40 PolarHBondContact O-N 3.23Å; A38-F41 WeakPolarHBondContact O-CB 3.46Å; A38-F41 PolarHBondContact O-N 2.96Å; A38-Y42 VanDerWaalsContact O-CD2 3.26Å; A38-Y42 WeakPolarHBondContact O-CD2 3.44Å; A38-Y42 PolarHBondContact O-N 2.85Å; A38-L75 HydrophobicContact CB-CD1 4.06Å
39	A	98.5	Very high	98.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-44.8	179.1	0	0	0	0	0	112.5	L35 E36 F41 Y42 R43 V50 M64 L75	L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.1Å; L35-A39 PolarHBondContact O-N 2.83Å; E36-A39 PolarHBondContact O-N 3.02Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.34Å; A39-Y42 PolarHBondContact O-N 2.89Å; A39-Y42 VanDerWaalsContact O-N 3.14Å; A39-R43 WeakPolarHBondContact O-CB 3.19Å; A39-R43 PolarHBondContact O-N 3.44Å; A39-V50 HydrophobicContact CB-CG1 4.03Å; A39-M64 HydrophobicContact CB-CE 3.58Å; A39-M64 HydrophobicContact CB-SD 3.78Å; A39-L75 HydrophobicContact CB-CD1 4.33Å
40	S	98.5	Very high	98.3	Very high	30 Å²	30	63.9 Å²	63.9	21%	0.21	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-34.1	178.3	57.3	0	0	0	0	113.1	E36 K37 A38 Y42 R43 D44	E36-S40 WeakPolarHBondContact O-CB 3.25Å; E36-S40 PolarHBondContact O-N 2.93Å; E36-S40 PolarHBondContact O-OG 2.94Å; K37-S40 WeakPolarHBondContact CA-OG 3.09Å; K37-S40 PolarHBondContact O-OG 3.31Å; A38-S40 PolarHBondContact O-N 3.23Å; S40-Y42 PolarHBondContact O-N 3.3Å; S40-R43 VanDerWaalsContact CB-NH2 3.34Å; S40-R43 PolarHBondContact O-N 2.92Å; S40-D44 WeakPolarHBondContact CB-OD2 3.46Å; S40-D44 WeakPolarHBondContact O-CA 3.45Å; S40-D44 WeakPolarHBondContact O-CB 3.26Å; S40-D44 PolarHBondContact O-N 2.8Å
41	F	98.5	Very high	98.2	Very high	101 Å²	101	63.5 Å²	63.5	44%	0.443	32%	0.32	S	S	.	.	I	π-helix	trans	-59.8	-49	172.7	173.1	-98.1	0	0	0	111.6	K37 A38 A39 I45 L46	K37-F41 PolarHBondContact O-N 2.57Å; A38-F41 WeakPolarHBondContact O-CB 3.46Å; A38-F41 PolarHBondContact O-N 2.96Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.34Å; F41-I45 HydrophobicContact CD2-CB 4.21Å; F41-I45 HydrophobicContact CD2-CG1 4.15Å; F41-I45 HydrophobicContact CE2-CB 4.41Å; F41-I45 HydrophobicContact CE2-CG2 4.27Å; F41-I45 VanDerWaalsContact O-CB 3.25Å; F41-I45 WeakPolarHBondContact O-CB 3.28Å; F41-I45 PolarHBondContact O-N 2.9Å; F41-L46 HydrophobicContact CD1-CD1 4.28Å; F41-L46 HydrophobicContact CE1-CD1 3.55Å; F41-L46 HydrophobicContact CE1-CG 4.04Å; F41-L46 HydrophobicContact CZ-CD1 4.03Å; F41-L46 HydrophobicContact CZ-CD2 4.46Å; F41-L46 HydrophobicContact CZ-CG 4.18Å; F41-L46 PolarHBondContact O-N 3.25Å
42	Y	98.6	Very high	98.2	Very high	42 Å²	42	71.1 Å²	71.1	17%	0.165	36%	0.355	C	S	.	.	I	π-helix	trans	-67.7	-42.1	179.1	-70.8	-81.5	0	0	0	112.3	A38 A39 S40 L46 H47 A48 V66 I73 L75	A38-Y42 VanDerWaalsContact O-CD2 3.26Å; A38-Y42 WeakPolarHBondContact O-CD2 3.44Å; A38-Y42 PolarHBondContact O-N 2.85Å; A39-Y42 PolarHBondContact O-N 2.89Å; A39-Y42 VanDerWaalsContact O-N 3.14Å; S40-Y42 PolarHBondContact O-N 3.3Å; Y42-L46 HydrophobicContact CD1-CD1 3.98Å; Y42-L46 HydrophobicContact CE1-CD1 4.31Å; Y42-L46 CarbonylContact O-C 3.58Å; Y42-L46 WeakPolarHBondContact O-CB 3.46Å; Y42-L46 PolarHBondContact O-N 2.88Å; Y42-H47 PolarHBondContact O-N 3.14Å; Y42-H47 VanDerWaalsContact O-N 3.15Å; Y42-A48 WeakPolarHBondContact O-CB 3.38Å; Y42-A48 PolarHBondContact O-N 3.49Å; Y42-V66 HydrophobicContact CD1-CB 4.5Å; Y42-V66 HydrophobicContact CD1-CG1 3.9Å; Y42-V66 HydrophobicContact CD1-CG2 4.07Å; Y42-V66 HydrophobicContact CD2-CG2 3.78Å; Y42-V66 HydrophobicContact CE2-CG2 4.4Å; Y42-V66 HydrophobicContact CG-CB 4.42Å; Y42-V66 HydrophobicContact CG-CG1 4.03Å; Y42-V66 HydrophobicContact CG-CG2 3.6Å; Y42-I73 HydrophobicContact CD1-CD1 4.47Å; Y42-I73 HydrophobicContact CE1-CD1 3.67Å; Y42-L75 HydrophobicContact CD2-CD1 3.96Å; Y42-L75 HydrophobicContact CD2-CD2 4.4Å; Y42-L75 HydrophobicContact CE2-CD1 4.21Å; Y42-L75 HydrophobicContact CE2-CD2 3.82Å
43	R	98.5	Very high	98.2	Very high	88 Å²	88	73.8 Å²	73.8	33%	0.332	37%	0.373	S	S	.	.	I	π-helix	trans	-71.1	-51.4	-178.1	-175.7	-173.4	63	-131.7	-6.8	112.8	E36 A39 S40 H47 V50	E36-R43 IonicContact OE1-CZ 3.82Å; E36-R43 IonicContact OE1-NH1 3.98Å; E36-R43 PolarHBondContact OE1-NH1 3.34Å; E36-R43 IonicContact OE1-NH2 3.87Å; E36-R43 PolarHBondContact OE1-NH2 3.26Å; A39-R43 WeakPolarHBondContact O-CB 3.19Å; A39-R43 PolarHBondContact O-N 3.44Å; S40-R43 VanDerWaalsContact CB-NH2 3.34Å; S40-R43 PolarHBondContact O-N 2.92Å; R43-H47 WeakPolarHBondContact O-CA 3.42Å; R43-H47 PolarHBondContact O-N 3.15Å; R43-V50 HydrophobicContact CB-CB 4.49Å; R43-V50 HydrophobicContact CB-CG2 3.82Å
44	D	98.5	Very high	98.3	Very high	83 Å²	83	76.8 Å²	76.8	44%	0.444	38%	0.379	S	S	.	.	I	π-helix	trans	-92.8	-33.8	-165.5	-55.2	-28.9	0	0	0	111.8	S40 H47	S40-D44 WeakPolarHBondContact CB-OD2 3.46Å; S40-D44 WeakPolarHBondContact O-CA 3.45Å; S40-D44 WeakPolarHBondContact O-CB 3.26Å; S40-D44 PolarHBondContact O-N 2.8Å; D44-H47 PolarHBondContact O-CE1 3.18Å; D44-H47 VanDerWaalsContact O-CE1 3.26Å
45	I	98.4	Very high	98.3	Very high	112 Å²	112	76.6 Å²	76.6	57%	0.574	38%	0.382	S	S	*	.	I	π-helix	trans	-94.4	-42.9	-178.4	-50.5	-59.2	0	0	0	111.5	F41	F41-I45 HydrophobicContact CD2-CB 4.21Å; F41-I45 HydrophobicContact CD2-CG1 4.15Å; F41-I45 HydrophobicContact CE2-CB 4.41Å; F41-I45 HydrophobicContact CE2-CG2 4.27Å; F41-I45 VanDerWaalsContact O-CB 3.25Å; F41-I45 WeakPolarHBondContact O-CB 3.28Å; F41-I45 PolarHBondContact O-N 2.9Å
46	L	98.3	Very high	98.2	Very high	97 Å²	97	77.1 Å²	77.1	51%	0.508	38%	0.384	S	S	.	.	S	Bend	trans	-96.5	-3.2	-179.3	-58.7	-175.4	0	0	0	113.7	F41 Y42 A48	F41-L46 HydrophobicContact CD1-CD1 4.28Å; F41-L46 HydrophobicContact CE1-CD1 3.55Å; F41-L46 HydrophobicContact CE1-CG 4.04Å; F41-L46 HydrophobicContact CZ-CD1 4.03Å; F41-L46 HydrophobicContact CZ-CD2 4.46Å; F41-L46 HydrophobicContact CZ-CG 4.18Å; F41-L46 PolarHBondContact O-N 3.25Å; Y42-L46 HydrophobicContact CD1-CD1 3.98Å; Y42-L46 HydrophobicContact CE1-CD1 4.31Å; Y42-L46 CarbonylContact O-C 3.58Å; Y42-L46 WeakPolarHBondContact O-CB 3.46Å; Y42-L46 PolarHBondContact O-N 2.88Å; L46-A48 PolarHBondContact O-N 3.45Å
47	H	97.6	Very high	98	Very high	163 Å²	163	81 Å²	81	76%	0.755	40%	0.399	S	S	*	.			trans	56	29.4	179.7	-53	-53.5	0	0	0	114	Y42 R43 D44	Y42-H47 PolarHBondContact O-N 3.14Å; Y42-H47 VanDerWaalsContact O-N 3.15Å; R43-H47 WeakPolarHBondContact O-CA 3.42Å; R43-H47 PolarHBondContact O-N 3.15Å; D44-H47 PolarHBondContact O-CE1 3.18Å; D44-H47 VanDerWaalsContact O-CE1 3.26Å
48	A	98	Very high	97.7	Very high	23 Å²	23	83 Å²	83	19%	0.19	41%	0.411	C	S	.	.			trans	-79.4	149.8	176.1	0	0	0	0	0	111.1	Y42 L46 V50 V66	Y42-A48 WeakPolarHBondContact O-CB 3.38Å; Y42-A48 PolarHBondContact O-N 3.49Å; L46-A48 PolarHBondContact O-N 3.45Å; A48-V50 PolarHBondContact O-N 3.2Å; A48-V66 HydrophobicContact CB-CG1 3.48Å; A48-V66 VanDerWaalsContact CB-CG1 3.48Å
49	E	98.5	Very high	97.5	Very high	120 Å²	120	84.7 Å²	84.7	56%	0.561	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.8	167.6	-174.3	-166.8	145.9	0	0	109	V66 R67	E49-V66 WeakPolarHBondContact O-CA 2.95Å; E49-R67 HydrophobicContact CB-CB 4.32Å; E49-R67 PolarHBondContact O-N 2.95Å; E49-R67 WeakPolarHBondContact OE1-CD 3.37Å; E49-R67 IonicContact OE1-NE 3.52Å; E49-R67 PolarHBondContact OE1-NE 2.85Å
50	V	98.7	Very high	97.4	Very high	27 Å²	27	85.1 Å²	85.1	16%	0.164	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.7	176.4	-168.9	0	0	0	0	109.5	A39 R43 A48 M64 F65 V66	A39-V50 HydrophobicContact CB-CG1 4.03Å; R43-V50 HydrophobicContact CB-CB 4.49Å; R43-V50 HydrophobicContact CB-CG2 3.82Å; A48-V50 PolarHBondContact O-N 3.2Å; V50-M64 HydrophobicContact CG1-CB 4.26Å; V50-M64 HydrophobicContact CG1-CE 3.84Å; V50-F65 CarbonylContact C-O 3.5Å; V50-F65 VanDerWaalsContact CA-O 3.26Å; V50-F65 WeakPolarHBondContact CA-O 3.39Å; V50-V66 HydrophobicContact CG1-CG2 4.48Å; V50-V66 HydrophobicContact CG2-CG1 4.42Å; V50-V66 HydrophobicContact CG2-CG2 4.2Å
51	S	98.4	Very high	97.3	Very high	25 Å²	25	84.7 Å²	84.7	18%	0.175	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-73.6	160.8	178.2	78.5	0	0	0	0	112.3	M64 F65	S51-M64 WeakPolarHBondContact O-CE 3.38Å; S51-F65 PolarHBondContact N-O 2.89Å; S51-F65 PolarHBondContact OG-N 2.93Å
52	E	98.1	Very high	97.3	Very high	160 Å²	160	81.8 Å²	81.8	75%	0.748	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-57.7	150.7	165.9	-65	-57.7	134.9	0	0	112.3
53	P	98.3	Very high	97.3	Very high	66 Å²	66	80.8 Å²	80.8	43%	0.429	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.5	131.3	175.7	28.4	-33.6	0	0	0	111.2	L35 I62 M64	L35-P53 HydrophobicContact CD2-CB 4.23Å; P53-I62 HydrophobicContact CB-CG2 3.93Å; P53-M64 VanDerWaalsContact CA-CG 3.47Å; P53-M64 HydrophobicContact CB-CG 3.84Å; P53-M64 HydrophobicContact CB-SD 4Å
54	K	98	Very high	97.3	Very high	128 Å²	128	77 Å²	77	56%	0.557	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.4	176.6	-175.6	170.7	174.9	-179.6	0	111.1	F56 R63	K54-F56 HydrophobicContact CB-CE2 3.84Å; K54-F56 HydrophobicContact CB-CZ 4.35Å; K54-F56 HydrophobicContact CD-CE1 4.44Å; K54-F56 HydrophobicContact CD-CE2 4Å; K54-F56 HydrophobicContact CD-CZ 3.63Å; K54-F56 HydrophobicContact CG-CD2 4.46Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.86Å; K54-F56 VanDerWaalsContact O-CD2 3.24Å; K54-F56 WeakPolarHBondContact O-CD2 3.26Å; K54-F56 WeakPolarHBondContact O-CE2 3.25Å; K54-R63 PolarHBondContact N-O 3.13Å; K54-R63 PolarHBondContact O-N 3.2Å
55	P	97.3	Very high	97.3	Very high	73 Å²	73	74.5 Å²	74.5	47%	0.474	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130	176	30.1	-33.1	0	0	0	111.4	I62 L79	P55-I62 HydrophobicContact CB-CG1 4.41Å; P55-L79 HydrophobicContact CB-CD2 3.96Å
56	F	95.6	Very high	97.3	Very high	20 Å²	20	69.2 Å²	69.2	9%	0.088	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	72.3	172.2	-67.6	-90.8	0	0	0	108.7	K54 E58 H59 G60 F61 R63 A130	K54-F56 HydrophobicContact CB-CE2 3.84Å; K54-F56 HydrophobicContact CB-CZ 4.35Å; K54-F56 HydrophobicContact CD-CE1 4.44Å; K54-F56 HydrophobicContact CD-CE2 4Å; K54-F56 HydrophobicContact CD-CZ 3.63Å; K54-F56 HydrophobicContact CG-CD2 4.46Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.86Å; K54-F56 VanDerWaalsContact O-CD2 3.24Å; K54-F56 WeakPolarHBondContact O-CD2 3.26Å; K54-F56 WeakPolarHBondContact O-CE2 3.25Å; F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 3.18Å; F56-H59 HydrophobicContact CB-CB 4.07Å; F56-H59 CarbonylContact O-C 3.58Å; F56-H59 WeakPolarHBondContact O-CA 3.03Å; F56-H59 PolarHBondContact O-N 2.85Å; F56-G60 PolarHBondContact O-N 3.3Å; F56-F61 WeakPolarHBondContact CA-O 3.41Å; F56-F61 HydrophobicContact CB-CD2 4.06Å; F56-F61 HydrophobicContact CB-CE2 3.83Å; F56-F61 HydrophobicContact CB-CZ 4.27Å; F56-F61 HydrophobicContact CD2-CD2 4.11Å; F56-F61 AromaticContact CD2-CE2 3.72Å; F56-F61 HydrophobicContact CD2-CE2 3.72Å; F56-F61 HydrophobicContact CG-CD2 4.39Å; F56-F61 AromaticContact CG-CE2 3.86Å; F56-F61 HydrophobicContact CG-CE2 3.86Å; F56-F61 HydrophobicContact CG-CZ 4.46Å; F56-F61 PolarHBondContact N-O 3.41Å; F56-F61 PolarHBondContact O-N 3.32Å; F56-R63 HydrophobicContact CD2-CB 3.92Å; F56-R63 HydrophobicContact CE2-CB 3.78Å; F56-R63 HydrophobicContact CE2-CG 4.43Å; F56-R63 VanDerWaalsContact CE2-NE 3.32Å; F56-A130 HydrophobicContact CD1-CB 3.76Å; F56-A130 HydrophobicContact CE1-CB 4.05Å; F56-A130 WeakPolarHBondContact CE1-O 3.19Å; F56-A130 HydrophobicContact CG-CB 4.26Å
57	K	94.3	Very high	97.3	Very high	173 Å²	173	70 Å²	70	75%	0.752	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-54.2	-42.3	-172.4	-67.2	-177.7	179.7	179.9	0	113.2	H59 G60 L79	K57-H59 PolarHBondContact O-N 3.43Å; K57-G60 PolarHBondContact O-N 2.96Å; K57-G60 VanDerWaalsContact O-N 3.17Å; K57-L79 HydrophobicContact CG-CD2 4.05Å
58	E	92.5	Very high	97.2	Very high	191 Å²	191	66 Å²	66	89%	0.893	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65.2	-25.6	178.5	-64.4	178.4	177.7	0	0	113.1	F56	F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 3.18Å
59	H	93.7	Very high	97	Very high	56 Å²	56	69.4 Å²	69.4	26%	0.259	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-98.7	-5.8	178.4	-61	76.2	0	0	0	112.5	F56 K57 F61 P84 A130	F56-H59 HydrophobicContact CB-CB 4.07Å; F56-H59 CarbonylContact O-C 3.58Å; F56-H59 WeakPolarHBondContact O-CA 3.03Å; F56-H59 PolarHBondContact O-N 2.85Å; K57-H59 PolarHBondContact O-N 3.43Å; H59-F61 HydrophobicContact CB-CD1 3.83Å; H59-F61 HydrophobicContact CB-CE1 3.4Å; H59-F61 HydrophobicContact CB-CZ 3.91Å; H59-F61 WeakPolarHBondContact O-CD1 3.33Å; H59-P84 WeakPolarHBondContact O-CD 3.45Å; H59-P84 WeakPolarHBondContact O-CG 3.17Å; H59-A130 PolarHBondContact NE2-N 3.33Å
60	G	96.1	Very high	96.8	Very high	9 Å²	9	69.8 Å²	69.8	9%	0.093	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	32.6	177.3	0	0	0	0	0	114.6	F56 K57 L79 S83	F56-G60 PolarHBondContact O-N 3.3Å; K57-G60 PolarHBondContact O-N 2.96Å; K57-G60 VanDerWaalsContact O-N 3.17Å; G60-L79 CarbonylContact C-O 3.49Å; G60-L79 WeakPolarHBondContact CA-O 3.31Å; G60-L79 PolarHBondContact O-N 2.97Å; G60-S83 WeakPolarHBondContact O-CB 3.46Å; G60-S83 PolarHBondContact O-OG 3.4Å
61	F	97.8	Very high	96.7	Very high	22 Å²	22	69 Å²	69	10%	0.096	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.1	172.2	58.4	-103.5	0	0	0	113.7	F56 H59 R63 I76 Q77 I85 A130	F56-F61 WeakPolarHBondContact CA-O 3.41Å; F56-F61 HydrophobicContact CB-CD2 4.06Å; F56-F61 HydrophobicContact CB-CE2 3.83Å; F56-F61 HydrophobicContact CB-CZ 4.27Å; F56-F61 HydrophobicContact CD2-CD2 4.11Å; F56-F61 AromaticContact CD2-CE2 3.72Å; F56-F61 HydrophobicContact CD2-CE2 3.72Å; F56-F61 HydrophobicContact CG-CD2 4.39Å; F56-F61 AromaticContact CG-CE2 3.86Å; F56-F61 HydrophobicContact CG-CE2 3.86Å; F56-F61 HydrophobicContact CG-CZ 4.46Å; F56-F61 PolarHBondContact N-O 3.41Å; F56-F61 PolarHBondContact O-N 3.32Å; H59-F61 HydrophobicContact CB-CD1 3.83Å; H59-F61 HydrophobicContact CB-CE1 3.4Å; H59-F61 HydrophobicContact CB-CZ 3.91Å; H59-F61 WeakPolarHBondContact O-CD1 3.33Å; F61-R63 HydrophobicContact CD2-CB 4.06Å; F61-R63 HydrophobicContact CE2-CB 4Å; F61-I76 HydrophobicContact CB-CB 4.46Å; F61-I76 HydrophobicContact CD2-CB 4.37Å; F61-I76 HydrophobicContact CD2-CG2 3.98Å; F61-I76 HydrophobicContact CE2-CG2 4.18Å; F61-I76 HydrophobicContact CG-CB 4.47Å; F61-I76 HydrophobicContact CG-CG2 4.47Å; F61-Q77 CarbonylContact C-O 3.52Å; F61-Q77 WeakPolarHBondContact CA-O 3.39Å; F61-Q77 VanDerWaalsContact CB-O 3.25Å; F61-Q77 WeakPolarHBondContact CB-O 3.21Å; F61-I85 HydrophobicContact CB-CD1 3.88Å; F61-A130 HydrophobicContact CE2-CB 4.31Å; F61-A130 HydrophobicContact CZ-CB 3.72Å
62	I	98.4	Very high	96.7	Very high	39 Å²	39	69.5 Å²	69.5	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139	162.3	-53.8	173.6	0	0	0	107.3	L35 P53 P55 I76 Q77 L79	L35-I62 HydrophobicContact CD2-CB 3.93Å; L35-I62 HydrophobicContact CD2-CG2 3.44Å; L35-I62 VanDerWaalsContact CD2-CG2 3.44Å; P53-I62 HydrophobicContact CB-CG2 3.93Å; P55-I62 HydrophobicContact CB-CG1 4.41Å; I62-I76 WeakPolarHBondContact O-CA 3.43Å; I62-Q77 PolarHBondContact N-O 2.88Å; I62-Q77 PolarHBondContact O-N 2.83Å; I62-L79 HydrophobicContact CD1-CD1 4.05Å; I62-L79 HydrophobicContact CG1-CB 4.17Å; I62-L79 HydrophobicContact CG1-CD1 4.01Å; I62-L79 HydrophobicContact CG1-CD2 3.98Å; I62-L79 HydrophobicContact CG1-CG 4.28Å
63	R	98.2	Very high	96.8	Very high	21 Å²	21	63.1 Å²	63.1	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.5	-177.5	169.9	174.8	74.5	176.6	6.6	112.2	K54 F56 F61 F65 E74 L75 I76	K54-R63 PolarHBondContact N-O 3.13Å; K54-R63 PolarHBondContact O-N 3.2Å; F56-R63 HydrophobicContact CD2-CB 3.92Å; F56-R63 HydrophobicContact CE2-CB 3.78Å; F56-R63 HydrophobicContact CE2-CG 4.43Å; F56-R63 VanDerWaalsContact CE2-NE 3.32Å; F61-R63 HydrophobicContact CD2-CB 4.06Å; F61-R63 HydrophobicContact CE2-CB 4Å; R63-F65 VanDerWaalsContact CZ-CE2 3.49Å; R63-E74 WeakPolarHBondContact CD-OE1 3.19Å; R63-E74 WeakPolarHBondContact CD-OE2 3.3Å; R63-E74 HydrophobicContact CG-CG 3.59Å; R63-E74 IonicContact CZ-OE2 3.4Å; R63-E74 IonicContact NE-OE2 3.69Å; R63-E74 IonicContact NH1-OE1 3.63Å; R63-E74 IonicContact NH1-OE2 3.63Å; R63-E74 PolarHBondContact NH1-OE2 2.93Å; R63-L75 CarbonylContact C-O 3.59Å; R63-L75 VanDerWaalsContact CA-O 3.28Å; R63-L75 WeakPolarHBondContact CA-O 3.39Å; R63-I76 HydrophobicContact CB-CG2 4.16Å; R63-I76 HydrophobicContact CG-CG2 4.34Å
64	M	98.7	Very high	96.8	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.039	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.5	160.7	-70.7	168.9	86.2	0	0	109.3	L35 A39 V50 S51 P53 L75	L35-M64 HydrophobicContact CD1-CB 4.37Å; L35-M64 HydrophobicContact CD1-CG 4.39Å; L35-M64 HydrophobicContact CD1-SD 4.31Å; L35-M64 HydrophobicContact CD2-CG 3.98Å; L35-M64 HydrophobicContact CD2-SD 3.9Å; L35-M64 HydrophobicContact CG-CG 4.15Å; L35-M64 HydrophobicContact CG-SD 3.66Å; A39-M64 HydrophobicContact CB-CE 3.58Å; A39-M64 HydrophobicContact CB-SD 3.78Å; V50-M64 HydrophobicContact CG1-CB 4.26Å; V50-M64 HydrophobicContact CG1-CE 3.84Å; S51-M64 WeakPolarHBondContact O-CE 3.38Å; P53-M64 VanDerWaalsContact CA-CG 3.47Å; P53-M64 HydrophobicContact CB-CG 3.84Å; P53-M64 HydrophobicContact CB-SD 4Å; M64-L75 PolarHBondContact N-O 3.42Å; M64-L75 PolarHBondContact O-N 2.78Å
65	F	98.5	Very high	96.8	Very high	32 Å²	32	54.2 Å²	54.2	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.9	172.4	-74.6	-68.1	0	0	0	110.5	V50 S51 R63 N72 I73 E74	V50-F65 CarbonylContact C-O 3.5Å; V50-F65 VanDerWaalsContact CA-O 3.26Å; V50-F65 WeakPolarHBondContact CA-O 3.39Å; S51-F65 PolarHBondContact N-O 2.89Å; S51-F65 PolarHBondContact OG-N 2.93Å; R63-F65 VanDerWaalsContact CZ-CE2 3.49Å; F65-N72 HydrophobicContact CD1-CB 3.73Å; F65-N72 HydrophobicContact CE1-CB 4.24Å; F65-I73 WeakPolarHBondContact CA-O 3.14Å; F65-E74 HydrophobicContact CD1-CB 4.21Å; F65-E74 HydrophobicContact CD1-CG 4.23Å; F65-E74 HydrophobicContact CE1-CB 4.02Å; F65-E74 HydrophobicContact CE1-CG 3.86Å; F65-E74 VanDerWaalsContact CE1-OE2 3.27Å; F65-E74 WeakPolarHBondContact CE1-OE2 3.19Å; F65-E74 WeakPolarHBondContact CZ-OE2 3.42Å
66	V	98.8	Very high	96.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.3	158.3	-172.8	0	0	0	0	106.8	Y42 A48 E49 V50 L68 N72 I73 L75	Y42-V66 HydrophobicContact CD1-CB 4.5Å; Y42-V66 HydrophobicContact CD1-CG1 3.9Å; Y42-V66 HydrophobicContact CD1-CG2 4.07Å; Y42-V66 HydrophobicContact CD2-CG2 3.78Å; Y42-V66 HydrophobicContact CE2-CG2 4.4Å; Y42-V66 HydrophobicContact CG-CB 4.42Å; Y42-V66 HydrophobicContact CG-CG1 4.03Å; Y42-V66 HydrophobicContact CG-CG2 3.6Å; A48-V66 HydrophobicContact CB-CG1 3.48Å; A48-V66 VanDerWaalsContact CB-CG1 3.48Å; E49-V66 WeakPolarHBondContact O-CA 2.95Å; V50-V66 HydrophobicContact CG1-CG2 4.48Å; V50-V66 HydrophobicContact CG2-CG1 4.42Å; V50-V66 HydrophobicContact CG2-CG2 4.2Å; V66-L68 HydrophobicContact CG1-CD2 4.26Å; V66-N72 WeakPolarHBondContact O-CA 3.17Å; V66-I73 HydrophobicContact CB-CB 4.06Å; V66-I73 HydrophobicContact CG2-CB 4.36Å; V66-I73 PolarHBondContact N-O 2.92Å; V66-I73 PolarHBondContact O-N 2.93Å; V66-L75 HydrophobicContact CG2-CD1 3.88Å; V66-L75 HydrophobicContact CG2-CG 4.1Å
67	R	98.1	Very high	97	Very high	113 Å²	113	52.3 Å²	52.3	43%	0.426	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.4	-177.1	-57	-163.3	-169.8	-84.3	1.4	110.2	E49	E49-R67 HydrophobicContact CB-CB 4.32Å; E49-R67 PolarHBondContact O-N 2.95Å; E49-R67 WeakPolarHBondContact OE1-CD 3.37Å; E49-R67 IonicContact OE1-NE 3.52Å; E49-R67 PolarHBondContact OE1-NE 2.85Å
68	L	95.6	Very high	97.2	Very high	79 Å²	79	45.7 Å²	45.7	41%	0.414	25%	0.248	S	C	.	.			trans	-111	160.9	170	-42.4	175.1	0	0	0	108.6	V66 N70 A71 I73	V66-L68 HydrophobicContact CG1-CD2 4.26Å; L68-N70 PolarHBondContact O-N 3.21Å; L68-N70 VanDerWaalsContact O-N 3.09Å; L68-A71 CarbonylContact C-O 3.42Å; L68-A71 VanDerWaalsContact CA-O 3.3Å; L68-A71 WeakPolarHBondContact CA-O 3.36Å; L68-A71 WeakPolarHBondContact CB-O 3.38Å; L68-A71 PolarHBondContact N-O 3.09Å; L68-A71 VanDerWaalsContact O-O 3.07Å; L68-I73 HydrophobicContact CD1-CD1 4.2Å; L68-I73 HydrophobicContact CD1-CG1 4.06Å
69	G	93.6	Very high	97.3	Very high	95 Å²	95	39.1 Å²	39.1	98%	0.979	22%	0.219	S	C	*	.	S	Bend	trans	-61.7	-20.4	-177.4	0	0	0	0	0	114.8
70	N	94.9	Very high	97.3	Very high	129 Å²	129	38.9 Å²	38.9	69%	0.69	23%	0.232	S	C	*	.	S	Bend	trans	-127.4	-9.9	-173.7	66.9	-35.7	0	0	0	115.2	L68	L68-N70 PolarHBondContact O-N 3.21Å; L68-N70 VanDerWaalsContact O-N 3.09Å
71	A	97	Very high	96.9	Very high	9 Å²	9	46 Å²	46	7%	0.074	27%	0.268	C	S	.	.			trans	-165.9	177.1	-178.1	0	0	0	0	0	109.3	L25 L68	L25-A71 HydrophobicContact CD2-CB 3.88Å; L25-A71 HydrophobicContact CG-CB 4.1Å; L68-A71 CarbonylContact C-O 3.42Å; L68-A71 VanDerWaalsContact CA-O 3.3Å; L68-A71 WeakPolarHBondContact CA-O 3.36Å; L68-A71 WeakPolarHBondContact CB-O 3.38Å; L68-A71 PolarHBondContact N-O 3.09Å; L68-A71 VanDerWaalsContact O-O 3.07Å
72	N	98.2	Very high	96.6	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.193	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.6	170.6	-55.4	-73.6	0	0	0	111.3	N26 H27 V28 F65 V66	N26-N72 PolarHBondContact O-N 3.09Å; H27-N72 CarbonylContact C-O 3.53Å; H27-N72 WeakPolarHBondContact CA-O 3.24Å; H27-N72 HydrophobicContact CB-CB 4.04Å; H27-N72 WeakPolarHBondContact CB-O 3.26Å; V28-N72 PolarHBondContact N-O 3.33Å; F65-N72 HydrophobicContact CD1-CB 3.73Å; F65-N72 HydrophobicContact CE1-CB 4.24Å; V66-N72 WeakPolarHBondContact O-CA 3.17Å
73	I	98.8	Very high	96.4	Very high	26 Å²	26	51.3 Å²	51.3	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.1	154.5	-60.6	167.3	0	0	0	106.4	V28 I30 Y42 F65 V66 L68 L75	V28-I73 WeakPolarHBondContact O-CA 3.13Å; I30-I73 HydrophobicContact CD1-CG2 3.6Å; I30-I73 HydrophobicContact CG1-CG2 3.99Å; Y42-I73 HydrophobicContact CD1-CD1 4.47Å; Y42-I73 HydrophobicContact CE1-CD1 3.67Å; F65-I73 WeakPolarHBondContact CA-O 3.14Å; V66-I73 HydrophobicContact CB-CB 4.06Å; V66-I73 HydrophobicContact CG2-CB 4.36Å; V66-I73 PolarHBondContact N-O 2.92Å; V66-I73 PolarHBondContact O-N 2.93Å; L68-I73 HydrophobicContact CD1-CD1 4.2Å; L68-I73 HydrophobicContact CD1-CG1 4.06Å; I73-L75 HydrophobicContact CG2-CD2 3.9Å
74	E	98.6	Very high	96.2	Very high	6 Å²	6	55 Å²	55	3%	0.028	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.5	176.7	-169.2	175.2	126.7	0	0	109	H27 V28 A29 I30 R63 F65 I76	H27-E74 HydrophobicContact CB-CB 4.39Å; H27-E74 IonicContact CD2-OE2 3.65Å; H27-E74 IonicContact CE1-OE2 2.78Å; H27-E74 IonicContact NE2-OE2 3.84Å; V28-E74 PolarHBondContact O-N 3.17Å; A29-E74 CarbonylContact C-O 3.39Å; A29-E74 WeakPolarHBondContact CA-O 3.46Å; A29-E74 HydrophobicContact CB-CB 4.35Å; I30-E74 PolarHBondContact N-O 2.94Å; R63-E74 WeakPolarHBondContact CD-OE1 3.19Å; R63-E74 WeakPolarHBondContact CD-OE2 3.3Å; R63-E74 HydrophobicContact CG-CG 3.59Å; R63-E74 IonicContact CZ-OE2 3.4Å; R63-E74 IonicContact NE-OE2 3.69Å; R63-E74 IonicContact NH1-OE1 3.63Å; R63-E74 IonicContact NH1-OE2 3.63Å; R63-E74 PolarHBondContact NH1-OE2 2.93Å; F65-E74 HydrophobicContact CD1-CB 4.21Å; F65-E74 HydrophobicContact CD1-CG 4.23Å; F65-E74 HydrophobicContact CE1-CB 4.02Å; F65-E74 HydrophobicContact CE1-CG 3.86Å; F65-E74 VanDerWaalsContact CE1-OE2 3.27Å; F65-E74 WeakPolarHBondContact CE1-OE2 3.19Å; F65-E74 WeakPolarHBondContact CZ-OE2 3.42Å; E74-I76 HydrophobicContact CG-CG2 3.82Å; E74-I76 VanDerWaalsContact OE1-CG2 3.26Å; E74-I76 WeakPolarHBondContact OE1-CG2 3.15Å
75	L	98.9	Very high	96	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.5	173.5	-55.5	179.4	0	0	0	108.1	I30 V32 L35 A38 A39 Y42 R63 M64 V66 I73	I30-L75 HydrophobicContact CB-CD2 4.18Å; V32-L75 HydrophobicContact CG1-CD2 4.21Å; L35-L75 HydrophobicContact CD1-CB 3.69Å; L35-L75 WeakPolarHBondContact CD1-O 3.38Å; A38-L75 HydrophobicContact CB-CD1 4.06Å; A39-L75 HydrophobicContact CB-CD1 4.33Å; Y42-L75 HydrophobicContact CD2-CD1 3.96Å; Y42-L75 HydrophobicContact CD2-CD2 4.4Å; Y42-L75 HydrophobicContact CE2-CD1 4.21Å; Y42-L75 HydrophobicContact CE2-CD2 3.82Å; R63-L75 CarbonylContact C-O 3.59Å; R63-L75 VanDerWaalsContact CA-O 3.28Å; R63-L75 WeakPolarHBondContact CA-O 3.39Å; M64-L75 PolarHBondContact N-O 3.42Å; M64-L75 PolarHBondContact O-N 2.78Å; V66-L75 HydrophobicContact CG2-CD1 3.88Å; V66-L75 HydrophobicContact CG2-CG 4.1Å; I73-L75 HydrophobicContact CG2-CD2 3.9Å
76	I	98.6	Very high	95.8	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.9	179.4	61.3	-177.1	0	0	0	111.6	A29 I30 V31 V32 F61 I62 R63 E74 I85	A29-I76 HydrophobicContact CB-CD1 4.47Å; I30-I76 PolarHBondContact O-N 2.86Å; V31-I76 CarbonylContact C-O 3.56Å; V31-I76 VanDerWaalsContact CA-O 3.3Å; V31-I76 WeakPolarHBondContact CA-O 3.44Å; V31-I76 HydrophobicContact CB-CG1 4.31Å; V31-I76 HydrophobicContact CG2-CD1 3.71Å; V31-I76 HydrophobicContact CG2-CG1 3.67Å; V32-I76 PolarHBondContact N-O 3.18Å; F61-I76 HydrophobicContact CB-CB 4.46Å; F61-I76 HydrophobicContact CD2-CB 4.37Å; F61-I76 HydrophobicContact CD2-CG2 3.98Å; F61-I76 HydrophobicContact CE2-CG2 4.18Å; F61-I76 HydrophobicContact CG-CB 4.47Å; F61-I76 HydrophobicContact CG-CG2 4.47Å; I62-I76 WeakPolarHBondContact O-CA 3.43Å; R63-I76 HydrophobicContact CB-CG2 4.16Å; R63-I76 HydrophobicContact CG-CG2 4.34Å; E74-I76 HydrophobicContact CG-CG2 3.82Å; E74-I76 VanDerWaalsContact OE1-CG2 3.26Å; E74-I76 WeakPolarHBondContact OE1-CG2 3.15Å; I76-I85 HydrophobicContact CB-CD1 4.19Å; I76-I85 HydrophobicContact CD1-CD1 3.99Å; I76-I85 HydrophobicContact CD1-CG2 4.28Å; I76-I85 HydrophobicContact CG1-CD1 3.9Å
77	Q	98.1	Very high	95.6	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.243	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.5	174.2	-174.8	-176	38.6	0	0	109.1	V32 P33 L35 F61 I62 L79	V32-Q77 HydrophobicContact CG2-CB 4.49Å; P33-Q77 PolarHBondContact O-NE2 2.99Å; L35-Q77 HydrophobicContact CB-CB 4Å; L35-Q77 HydrophobicContact CD1-CB 4.46Å; F61-Q77 CarbonylContact C-O 3.52Å; F61-Q77 WeakPolarHBondContact CA-O 3.39Å; F61-Q77 VanDerWaalsContact CB-O 3.25Å; F61-Q77 WeakPolarHBondContact CB-O 3.21Å; I62-Q77 PolarHBondContact N-O 2.88Å; I62-Q77 PolarHBondContact O-N 2.83Å; Q77-L79 PolarHBondContact O-N 2.8Å
78	P	97.5	Very high	95.5	Very high	33 Å²	33	59 Å²	59	21%	0.214	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	137	176.3	-22.6	30.3	0	0	0	112	I85 I89	P78-I85 HydrophobicContact CB-CD1 4.45Å; P78-I85 HydrophobicContact CB-CG1 4.21Å; P78-I85 HydrophobicContact CG-CD1 4.04Å; P78-I85 HydrophobicContact CG-CG1 3.98Å; P78-I89 HydrophobicContact CG-CB 4.37Å; P78-I89 HydrophobicContact CG-CG2 3.88Å
79	L	96.2	Very high	95.4	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.277	34%	0.336	S	S	.	.			trans	-123.2	116	174.8	-178.6	61.6	0	0	0	109.5	P55 K57 G60 I62 Q77	P55-L79 HydrophobicContact CB-CD2 3.96Å; K57-L79 HydrophobicContact CG-CD2 4.05Å; G60-L79 CarbonylContact C-O 3.49Å; G60-L79 WeakPolarHBondContact CA-O 3.31Å; G60-L79 PolarHBondContact O-N 2.97Å; I62-L79 HydrophobicContact CD1-CD1 4.05Å; I62-L79 HydrophobicContact CG1-CB 4.17Å; I62-L79 HydrophobicContact CG1-CD1 4.01Å; I62-L79 HydrophobicContact CG1-CD2 3.98Å; I62-L79 HydrophobicContact CG1-CG 4.28Å; Q77-L79 PolarHBondContact O-N 2.8Å
80	G	92.2	Very high	95.4	Very high	51 Å²	51	58.6 Å²	58.6	53%	0.526	32%	0.319	S	S	.	.	S	Bend	trans	79.8	162.8	-176.7	0	0	0	0	0	113.6	N82 S83	G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3.29Å; G80-S83 PolarHBondContact O-N 2.92Å
81	D	88.3	Confident	95.5	Very high	160 Å²	160	57.1 Å²	57.1	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.5	-170.1	-57.7	-27.2	0	0	0	113.3
82	N	90.7	Very high	95.4	Very high	163 Å²	163	59.9 Å²	59.9	87%	0.872	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	25.6	-177.4	-66.4	-36.7	0	0	0	113.2	G80	G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3.29Å
83	S	95.3	Very high	95.3	Very high	8 Å²	8	66.2 Å²	66.2	6%	0.056	36%	0.358	C	S	.	.			trans	-58.4	135.5	177.8	174.4	0	0	0	0	111.5	G60 G80 I85 S86	G60-S83 WeakPolarHBondContact O-CB 3.46Å; G60-S83 PolarHBondContact O-OG 3.4Å; G80-S83 PolarHBondContact O-N 2.92Å; S83-I85 PolarHBondContact O-N 3.26Å; S83-I85 VanDerWaalsContact O-N 3.09Å; S83-I85 WeakPolarHBondContact OG-CG1 3.35Å; S83-I85 PolarHBondContact OG-N 2.82Å; S83-S86 WeakPolarHBondContact CB-OG 3.27Å; S83-S86 WeakPolarHBondContact O-CB 3.44Å; S83-S86 PolarHBondContact O-N 2.78Å; S83-S86 VanDerWaalsContact O-N 3.09Å; S83-S86 PolarHBondContact O-OG 3.44Å
84	P	93.3	Very high	95.2	Very high	98 Å²	98	72.4 Å²	72.4	64%	0.636	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.1	177.5	27.1	-34.6	0	0	0	112.9	H59	H59-P84 WeakPolarHBondContact O-CD 3.45Å; H59-P84 WeakPolarHBondContact O-CG 3.17Å
85	I	95	Very high	95.1	Very high	6 Å²	6	73 Å²	73	3%	0.031	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	1.7	178.7	57	164.6	0	0	0	113.7	V31 F61 I76 P78 S83 K87 F88 I89	V31-I85 HydrophobicContact CG1-CD1 4.36Å; V31-I85 HydrophobicContact CG2-CB 4.15Å; V31-I85 HydrophobicContact CG2-CD1 4.16Å; V31-I85 HydrophobicContact CG2-CG2 4.19Å; F61-I85 HydrophobicContact CB-CD1 3.88Å; I76-I85 HydrophobicContact CB-CD1 4.19Å; I76-I85 HydrophobicContact CD1-CD1 3.99Å; I76-I85 HydrophobicContact CD1-CG2 4.28Å; I76-I85 HydrophobicContact CG1-CD1 3.9Å; P78-I85 HydrophobicContact CB-CD1 4.45Å; P78-I85 HydrophobicContact CB-CG1 4.21Å; P78-I85 HydrophobicContact CG-CD1 4.04Å; P78-I85 HydrophobicContact CG-CG1 3.98Å; S83-I85 PolarHBondContact O-N 3.26Å; S83-I85 VanDerWaalsContact O-N 3.09Å; S83-I85 WeakPolarHBondContact OG-CG1 3.35Å; S83-I85 PolarHBondContact OG-N 2.82Å; I85-K87 PolarHBondContact O-N 3.15Å; I85-F88 WeakPolarHBondContact O-CB 3.08Å; I85-F88 PolarHBondContact O-N 2.97Å; I85-F88 VanDerWaalsContact O-N 3.13Å; I85-I89 PolarHBondContact O-N 2.95Å
86	S	94.5	Very high	95.1	Very high	21 Å²	21	74 Å²	74	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-58.1	-45.8	177.1	-69.7	0	0	0	0	112.5	S83 F88 I89 E90	S83-S86 WeakPolarHBondContact CB-OG 3.27Å; S83-S86 WeakPolarHBondContact O-CB 3.44Å; S83-S86 PolarHBondContact O-N 2.78Å; S83-S86 VanDerWaalsContact O-N 3.09Å; S83-S86 PolarHBondContact O-OG 3.44Å; S86-F88 PolarHBondContact O-N 2.92Å; S86-I89 WeakPolarHBondContact O-CG2 3.34Å; S86-I89 PolarHBondContact O-N 2.95Å; S86-E90 WeakPolarHBondContact O-CG 3.17Å; S86-E90 PolarHBondContact O-N 2.92Å
87	K	94.4	Very high	95	Very high	164 Å²	164	78.6 Å²	78.6	71%	0.713	43%	0.433	S	S	*	.	H	α-helix	trans	-62.3	-30.8	178.3	-68.3	-175.3	178.9	179.3	0	112.9	I85 S91	I85-K87 PolarHBondContact O-N 3.15Å; K87-S91 PolarHBondContact O-N 2.83Å; K87-S91 PolarHBondContact O-OG 3.45Å
88	F	96.1	Very high	95	Very high	48 Å²	48	78 Å²	78	21%	0.211	43%	0.431	C	S	.	.	H	α-helix	trans	-68.1	-46.4	177.4	-171.2	-83.8	0	0	0	110.6	V31 I85 S86 S91 N92 L97 H98	V31-F88 HydrophobicContact CB-CD1 3.63Å; V31-F88 HydrophobicContact CB-CE1 3.88Å; V31-F88 HydrophobicContact CG1-CD1 3.87Å; V31-F88 HydrophobicContact CG2-CD1 3.85Å; V31-F88 HydrophobicContact CG2-CE1 4.26Å; V31-F88 HydrophobicContact CG2-CG 4.36Å; I85-F88 WeakPolarHBondContact O-CB 3.08Å; I85-F88 PolarHBondContact O-N 2.97Å; I85-F88 VanDerWaalsContact O-N 3.13Å; S86-F88 PolarHBondContact O-N 2.92Å; F88-S91 PolarHBondContact O-N 2.95Å; F88-N92 HydrophobicContact CD1-CB 4.28Å; F88-N92 HydrophobicContact CE1-CB 4Å; F88-N92 WeakPolarHBondContact O-CB 3.23Å; F88-N92 PolarHBondContact O-N 3.26Å; F88-N92 PolarHBondContact O-ND2 2.88Å; F88-L97 WeakPolarHBondContact CZ-O 3.13Å; F88-H98 AromaticContact CD2-CD2 3.57Å; F88-H98 AromaticContact CE2-CD2 3.88Å; F88-H98 AromaticContact CG-CD2 3.96Å; F88-H98 HydrophobicContact CZ-CB 4.46Å
89	I	93.7	Very high	95.1	Very high	33 Å²	33	77 Å²	77	17%	0.169	42%	0.423	C	S	.	.	H	α-helix	trans	-69.3	-33.7	179.2	-161.4	75.2	0	0	0	112.2	V31 P33 P78 I85 S86 S91 N92 K93	V31-I89 HydrophobicContact CG1-CB 4.22Å; V31-I89 HydrophobicContact CG1-CD1 3.91Å; P33-I89 HydrophobicContact CB-CD1 3.99Å; P78-I89 HydrophobicContact CG-CB 4.37Å; P78-I89 HydrophobicContact CG-CG2 3.88Å; I85-I89 PolarHBondContact O-N 2.95Å; S86-I89 WeakPolarHBondContact O-CG2 3.34Å; S86-I89 PolarHBondContact O-N 2.95Å; I89-S91 VanDerWaalsContact C-N 3.29Å; I89-S91 PolarHBondContact O-N 2.73Å; I89-N92 CarbonylContact O-C 3.1Å; I89-N92 PolarHBondContact O-N 2.97Å; I89-K93 WeakPolarHBondContact O-CA 3.3Å; I89-K93 PolarHBondContact O-N 3.05Å
90	E	93.9	Very high	95.2	Very high	132 Å²	132	76.7 Å²	76.7	62%	0.617	42%	0.421	S	S	*	.	H	α-helix	trans	-59.7	-42.3	173.6	-74.1	167.7	-165.5	0	0	111.7	S86	S86-E90 WeakPolarHBondContact O-CG 3.17Å; S86-E90 PolarHBondContact O-N 2.92Å
91	S	96.1	Very high	95.5	Very high	98 Å²	98	74.2 Å²	74.2	69%	0.685	40%	0.396	S	S	*	.	H	α-helix	trans	-78.5	-28.2	178.6	-55.3	0	0	0	0	112.6	K87 F88 I89	K87-S91 PolarHBondContact O-N 2.83Å; K87-S91 PolarHBondContact O-OG 3.45Å; F88-S91 PolarHBondContact O-N 2.95Å; I89-S91 VanDerWaalsContact C-N 3.29Å; I89-S91 PolarHBondContact O-N 2.73Å
92	N	96.3	Very high	96	Very high	66 Å²	66	67.8 Å²	67.8	35%	0.353	36%	0.363	S	S	.	.			trans	-126	74.9	-176.5	-56.8	-83.2	0	0	0	109.4	F88 I89 N94 G95	F88-N92 HydrophobicContact CD1-CB 4.28Å; F88-N92 HydrophobicContact CE1-CB 4Å; F88-N92 WeakPolarHBondContact O-CB 3.23Å; F88-N92 PolarHBondContact O-N 3.26Å; F88-N92 PolarHBondContact O-ND2 2.88Å; I89-N92 CarbonylContact O-C 3.1Å; I89-N92 PolarHBondContact O-N 2.97Å; N92-N94 PolarHBondContact O-N 3.12Å; N92-G95 WeakPolarHBondContact O-CA 3.22Å; N92-G95 PolarHBondContact O-N 2.87Å
93	K	95.1	Very high	96.3	Very high	170 Å²	170	60.3 Å²	60.3	74%	0.739	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26	-171.8	-63.8	-174.9	178.9	-178.5	0	114.7	I89	I89-K93 WeakPolarHBondContact O-CA 3.3Å; I89-K93 PolarHBondContact O-N 3.05Å
94	N	95.7	Very high	96.4	Very high	156 Å²	156	60 Å²	60	83%	0.834	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	7.4	178.6	-64.9	-29.9	0	0	0	113.1	N92	N92-N94 PolarHBondContact O-N 3.12Å
95	G	97.4	Very high	96.6	Very high	17 Å²	17	56.4 Å²	56.4	18%	0.175	30%	0.295	C	S	.	.			trans	80.7	-175.6	-169.5	0	0	0	0	0	113.1	V31 N92	V31-G95 CarbonylContact O-C 3.4Å; V31-G95 WeakPolarHBondContact O-CA 3.14Å; N92-G95 WeakPolarHBondContact O-CA 3.22Å; N92-G95 PolarHBondContact O-N 2.87Å
96	G	98	Very high	96.7	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	168.9	179.5	0	0	0	0	0	113.7	I30 V31 H98	I30-G96 WeakPolarHBondContact CA-O 3.31Å; V31-G96 PolarHBondContact N-O 2.88Å; V31-G96 PolarHBondContact O-N 3.37Å; G96-H98 PolarHBondContact O-N 2.83Å
97	L	97.9	Very high	96.8	Very high	99 Å²	99	57.4 Å²	57.4	52%	0.518	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.9	174.2	-171.4	158.9	0	0	0	109.4	V28 F88 L100	V28-L97 HydrophobicContact CG1-CD1 3.79Å; V28-L97 HydrophobicContact CG1-CG 3.93Å; F88-L97 WeakPolarHBondContact CZ-O 3.13Å; L97-L100 HydrophobicContact CD1-CD2 4.37Å
98	H	97.8	Very high	97	Very high	40 Å²	40	55.8 Å²	55.8	19%	0.185	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-50.3	-176.7	-177.5	-120.1	0	0	0	112.2	A29 V31 F88 G96	A29-H98 HydrophobicContact CB-CB 4.49Å; A29-H98 PolarHBondContact O-N 2.74Å; V31-H98 HydrophobicContact CG2-CB 3.68Å; F88-H98 AromaticContact CD2-CD2 3.57Å; F88-H98 AromaticContact CE2-CD2 3.88Å; F88-H98 AromaticContact CG-CD2 3.96Å; F88-H98 HydrophobicContact CZ-CB 4.46Å; G96-H98 PolarHBondContact O-N 2.83Å
99	H	98.3	Very high	97.1	Very high	11 Å²	11	56.1 Å²	56.1	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.2	175.4	57	-100.8	0	0	0	113.1	H27 A29 F137 L147 E149	H27-H99 AromaticContact NE2-CD2 3.79Å; H27-H99 AromaticContact NE2-NE2 3.29Å; H27-H99 PolarHBondContact NE2-NE2 3.47Å; A29-H99 WeakPolarHBondContact CB-CE1 3.39Å; A29-H99 WeakPolarHBondContact CB-NE2 3.4Å; A29-H99 PolarHBondContact N-O 3.21Å; H99-F137 HydrophobicContact CB-CE1 4.37Å; H99-L147 WeakPolarHBondContact CA-O 3.41Å; H99-L147 HydrophobicContact CB-CB 3.95Å; H99-L147 HydrophobicContact CB-CD2 4.03Å; H99-L147 HydrophobicContact CB-CG 3.86Å; H99-L147 WeakPolarHBondContact CB-O 3.47Å; H99-E149 IonicContact NE2-OE2 3.23Å
100	L	98.6	Very high	97.2	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.9	167.3	-59.2	177.2	0	0	0	108.8	V28 L97 V146 L147 H148 E149	V28-L100 HydrophobicContact CB-CD2 4.24Å; V28-L100 HydrophobicContact CG1-CD2 3.93Å; V28-L100 HydrophobicContact CG2-CD2 3.65Å; L97-L100 HydrophobicContact CD1-CD2 4.37Å; L100-V146 HydrophobicContact CD1-CG1 3.97Å; L100-V146 HydrophobicContact CG-CG1 4.2Å; L100-L147 PolarHBondContact N-O 3Å; L100-H148 CarbonylContact O-C 3.55Å; L100-H148 WeakPolarHBondContact O-CA 3.19Å; L100-E149 PolarHBondContact O-N 2.93Å
101	C	98.7	Very high	97.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.7	176.3	-176.8	0	0	0	0	110.9	L25 N26 H27 E149 E151	L25-C101 WeakPolarHBondContact CD1-O 3.44Å; N26-C101 HydrophobicContact CB-CB 4.32Å; N26-C101 PolarHBondContact N-O 3.22Å; H27-C101 WeakPolarHBondContact CE1-CB 3.35Å; H27-C101 VanDerWaalsContact CE1-SG 3.52Å; H27-C101 PolarHBondContact N-O 2.99Å; H27-C101 WeakPolarHBondContact ND1-CB 3.46Å; H27-C101 WeakPolarHBondContact NE2-CB 3.15Å; H27-C101 PolarHBondContact O-N 3.09Å; C101-E149 WeakPolarHBondContact CA-O 3.38Å; C101-E149 HydrophobicContact CB-CB 4Å; C101-E149 WeakPolarHBondContact CB-OE2 3.16Å; C101-E149 PolarHBondContact SG-OE2 3.16Å; C101-E151 VanDerWaalsContact SG-CB 3.59Å
102	V	98.4	Very high	97.5	Very high	25 Å²	25	50 Å²	50	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146	174	-61.9	0	0	0	0	110.1	I22 K24 L25 E149 L150 E151	I22-V102 HydrophobicContact CG2-CB 4.31Å; K24-V102 WeakPolarHBondContact O-CA 3.4Å; L25-V102 HydrophobicContact CD1-CG1 4.17Å; V102-E149 PolarHBondContact N-O 3.17Å; V102-L150 HydrophobicContact CG2-CD2 3.39Å; V102-L150 CarbonylContact O-C 3.51Å; V102-L150 WeakPolarHBondContact O-CA 2.93Å; V102-E151 PolarHBondContact O-N 2.83Å
103	E	98.1	Very high	97.6	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.2	-178.8	-62.4	-174.2	-174.8	0	0	111.8	I22 T23 K24 N26 E151 I153	I22-E103 VanDerWaalsContact CA-O 3.29Å; I22-E103 WeakPolarHBondContact CA-O 2.7Å; T23-E103 PolarHBondContact N-O 3.48Å; T23-E103 WeakPolarHBondContact OG1-CB 3.38Å; T23-E103 PolarHBondContact OG1-OE2 3.5Å; K24-E103 WeakPolarHBondContact CE-OE1 3.48Å; K24-E103 WeakPolarHBondContact CE-OE2 3.46Å; K24-E103 HydrophobicContact CG-CB 4.28Å; K24-E103 HydrophobicContact CG-CG 3.97Å; K24-E103 VanDerWaalsContact CG-OE2 3.23Å; K24-E103 WeakPolarHBondContact CG-OE2 3.21Å; K24-E103 IonicContact NZ-OE1 3.76Å; K24-E103 PolarHBondContact O-N 2.91Å; N26-E103 HydrophobicContact CB-CG 3.77Å; N26-E103 PolarHBondContact ND2-OE1 2.88Å; E103-E151 CarbonylContact C-O 3.5Å; E103-E151 VanDerWaalsContact CA-O 3.3Å; E103-E151 WeakPolarHBondContact CA-O 3.36Å; E103-I153 HydrophobicContact CB-CB 4.32Å; E103-I153 HydrophobicContact CB-CG1 4.21Å; E103-I153 VanDerWaalsContact CD-CG1 3.45Å; E103-I153 HydrophobicContact CG-CB 4.38Å; E103-I153 HydrophobicContact CG-CG1 3.8Å
104	V	97.9	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.9	171.8	-64.9	0	0	0	0	110.3	W20 K21 I22 N106 I107 C110 L150 E151 H152 I153	W20-V104 HydrophobicContact CE3-CB 4.29Å; W20-V104 HydrophobicContact CE3-CG1 3.87Å; W20-V104 HydrophobicContact CZ3-CG1 3.76Å; K21-V104 WeakPolarHBondContact O-CA 3.45Å; I22-V104 HydrophobicContact CG1-CG1 4.19Å; V104-N106 VanDerWaalsContact C-N 3.26Å; V104-N106 PolarHBondContact O-N 3.16Å; V104-I107 HydrophobicContact CG2-CB 3.84Å; V104-I107 HydrophobicContact CG2-CD1 4.48Å; V104-I107 HydrophobicContact CG2-CG1 4Å; V104-C110 HydrophobicContact CG2-CB 4.48Å; V104-L150 HydrophobicContact CG1-CD2 4.48Å; V104-L150 HydrophobicContact CG2-CB 4.3Å; V104-E151 PolarHBondContact N-O 2.95Å; V104-H152 WeakPolarHBondContact O-CA 3.28Å; V104-H152 PolarHBondContact O-ND1 2.6Å; V104-I153 PolarHBondContact O-N 3.05Å
105	D	96.4	Very high	97.8	Very high	23 Å²	23	39.3 Å²	39.3	12%	0.123	20%	0.196	C	C	.	.	S	Bend	trans	-62.8	-28.8	179.3	62.7	-11.5	0	0	0	113.8	W20 K21 T23 H152 I153 E155	W20-D105 WeakPolarHBondContact CA-OD1 3.46Å; W20-D105 VanDerWaalsContact CB-OD1 3.32Å; W20-D105 WeakPolarHBondContact CB-OD1 3.42Å; K21-D105 WeakPolarHBondContact CG-OD2 3.39Å; K21-D105 VanDerWaalsContact N-CG 3.25Å; K21-D105 PolarHBondContact N-OD1 2.82Å; K21-D105 PolarHBondContact N-OD2 3.34Å; K21-D105 PolarHBondContact O-N 3.31Å; T23-D105 HydrophobicContact CG2-CB 4.3Å; D105-H152 PolarHBondContact O-CE1 3.1Å; D105-H152 PolarHBondContact O-ND1 2.74Å; D105-I153 VanDerWaalsContact CA-O 3.31Å; D105-I153 WeakPolarHBondContact CA-O 3.42Å; D105-E155 HydrophobicContact CB-CG 3.89Å
106	N	96.8	Very high	97.8	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	21%	0.214	S	C	.	.			trans	-147.2	92.8	179.3	-167.4	-42.7	0	0	0	110.9	W20 V104 Y108 N109 C110	W20-N106 HydrophobicContact CB-CB 4.11Å; W20-N106 WeakPolarHBondContact CB-O 3.32Å; V104-N106 VanDerWaalsContact C-N 3.26Å; V104-N106 PolarHBondContact O-N 3.16Å; N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.17Å; N106-Y108 PolarHBondContact OD1-N 2.85Å; N106-N109 HydrophobicContact CB-CB 4.12Å; N106-N109 PolarHBondContact ND2-ND2 3.5Å; N106-N109 VanDerWaalsContact ND2-ND2 3.16Å; N106-N109 PolarHBondContact O-N 3.41Å; N106-N109 WeakPolarHBondContact OD1-CB 3.36Å; N106-N109 PolarHBondContact OD1-N 3.02Å; N106-C110 WeakPolarHBondContact O-CB 3.32Å; N106-C110 PolarHBondContact O-N 3.41Å
107	I	97.8	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-26.5	-176.1	-161.8	163.7	0	0	0	113.3	V104 C110 L111 P126 P134 L136 L150 H152	V104-I107 HydrophobicContact CG2-CB 3.84Å; V104-I107 HydrophobicContact CG2-CD1 4.48Å; V104-I107 HydrophobicContact CG2-CG1 4Å; I107-C110 WeakPolarHBondContact O-CB 3.35Å; I107-C110 PolarHBondContact O-N 3.4Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.61Å; I107-P126 HydrophobicContact CD1-CB 4.16Å; I107-P126 HydrophobicContact CD1-CG 4.45Å; I107-P126 HydrophobicContact CG1-CB 4.48Å; I107-P126 HydrophobicContact CG1-CG 4.23Å; I107-P126 HydrophobicContact CG2-CB 4.36Å; I107-P126 HydrophobicContact CG2-CG 4.1Å; I107-P134 HydrophobicContact CG2-CB 4.03Å; I107-L136 HydrophobicContact CD1-CB 3.85Å; I107-L136 HydrophobicContact CG1-CB 4.3Å; I107-L150 HydrophobicContact CD1-CB 4.41Å; I107-L150 WeakPolarHBondContact CD1-O 3.36Å; I107-H152 HydrophobicContact CB-CB 3.76Å; I107-H152 HydrophobicContact CD1-CB 4.23Å; I107-H152 HydrophobicContact CG2-CB 3.65Å; I107-H152 PolarHBondContact N-ND1 3.18Å
108	Y	97.9	Very high	97.7	Very high	130 Å²	130	51.5 Å²	51.5	51%	0.51	24%	0.243	S	C	.	.	H	α-helix	trans	-75.8	-42.1	-179.6	-61.5	-75.1	0	0	0	111.3	N106 C110 L111 K112 P126	N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.17Å; N106-Y108 PolarHBondContact OD1-N 2.85Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; Y108-L111 PolarHBondContact O-N 2.77Å; Y108-K112 PolarHBondContact O-N 2.88Å; Y108-P126 HydrophobicContact CD1-CG 4.11Å; Y108-P126 HydrophobicContact CE1-CG 3.93Å
109	N	97.6	Very high	97.7	Very high	54 Å²	54	52.5 Å²	52.5	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-37.9	170.3	-74.9	-15.6	0	0	0	111.3	S19 W20 N106 K112 H113	S19-N109 WeakPolarHBondContact CB-ND2 3.38Å; S19-N109 WeakPolarHBondContact O-CB 3.47Å; S19-N109 PolarHBondContact O-ND2 2.88Å; S19-N109 WeakPolarHBondContact OG-CB 3.36Å; W20-N109 HydrophobicContact CB-CB 4.1Å; W20-N109 HydrophobicContact CG-CB 4.46Å; N106-N109 HydrophobicContact CB-CB 4.12Å; N106-N109 PolarHBondContact ND2-ND2 3.5Å; N106-N109 VanDerWaalsContact ND2-ND2 3.16Å; N106-N109 PolarHBondContact O-N 3.41Å; N106-N109 WeakPolarHBondContact OD1-CB 3.36Å; N106-N109 PolarHBondContact OD1-N 3.02Å; N109-K112 PolarHBondContact O-N 2.8Å; N109-H113 WeakPolarHBondContact O-CB 3.5Å; N109-H113 PolarHBondContact O-N 2.92Å
110	C	97.5	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-51.5	171.5	-173.8	0	0	0	0	111.6	W20 V104 N106 I107 Y108 K112 H113 L114	W20-C110 HydrophobicContact CB-CB 4.43Å; W20-C110 HydrophobicContact CD2-CB 3.6Å; W20-C110 HydrophobicContact CE3-CB 3.8Å; W20-C110 HydrophobicContact CG-CB 3.89Å; W20-C110 WeakPolarHBondContact CH2-SG 3.33Å; W20-C110 HydrophobicContact CZ2-CB 4.34Å; W20-C110 VanDerWaalsContact CZ2-SG 3.59Å; W20-C110 HydrophobicContact CZ3-CB 4.26Å; W20-C110 WeakPolarHBondContact CZ3-SG 3.33Å; V104-C110 HydrophobicContact CG2-CB 4.48Å; N106-C110 WeakPolarHBondContact O-CB 3.32Å; N106-C110 PolarHBondContact O-N 3.41Å; I107-C110 WeakPolarHBondContact O-CB 3.35Å; I107-C110 PolarHBondContact O-N 3.4Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; C110-K112 VanDerWaalsContact C-N 3.33Å; C110-K112 PolarHBondContact O-N 2.91Å; C110-H113 WeakPolarHBondContact O-CB 3.28Å; C110-H113 PolarHBondContact O-N 2.93Å; C110-H113 VanDerWaalsContact O-N 3.13Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.23Å; C110-L114 PolarHBondContact O-N 3.36Å
111	L	98.3	Very high	97.7	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-42.8	178.1	176.5	60.2	0	0	0	112.2	I107 Y108 H113 L114 K115 T121 E125 P126 L136	I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.61Å; Y108-L111 PolarHBondContact O-N 2.77Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-L114 PolarHBondContact O-N 3.01Å; L111-K115 HydrophobicContact CD1-CD 4.29Å; L111-K115 HydrophobicContact CD1-CG 4.21Å; L111-K115 HydrophobicContact CG-CD 4.22Å; L111-K115 WeakPolarHBondContact O-CB 3.31Å; L111-K115 WeakPolarHBondContact O-CG 2.97Å; L111-K115 PolarHBondContact O-N 3.3Å; L111-T121 HydrophobicContact CD1-CG2 4.14Å; L111-E125 WeakPolarHBondContact CD2-OE2 3.48Å; L111-P126 HydrophobicContact CD2-CG 4.12Å; L111-L136 HydrophobicContact CB-CD2 4.23Å; L111-L136 HydrophobicContact CD1-CD1 4.45Å; L111-L136 HydrophobicContact CD1-CD2 3.76Å; L111-L136 HydrophobicContact CG-CD2 4.49Å
112	K	97.7	Very high	97.7	Very high	130 Å²	130	61 Å²	61	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-58.1	-48.7	174.9	-175.4	-175.6	176.6	-171	0	110.9	Y108 N109 C110 L114 K115 E116	Y108-K112 PolarHBondContact O-N 2.88Å; N109-K112 PolarHBondContact O-N 2.8Å; C110-K112 VanDerWaalsContact C-N 3.33Å; C110-K112 PolarHBondContact O-N 2.91Å; K112-L114 PolarHBondContact O-N 3.39Å; K112-K115 PolarHBondContact O-N 2.86Å; K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.32Å
113	H	97	Very high	97.6	Very high	51 Å²	51	60.9 Å²	60.9	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-42.1	177.3	-179.8	-151.8	0	0	0	112	W20 N109 C110 L111 K115 E116 K117	W20-H113 AromaticContact CE2-ND1 3.5Å; W20-H113 AromaticContact CZ2-ND1 3.31Å; W20-H113 VanDerWaalsContact CZ2-ND1 3.31Å; W20-H113 WeakPolarHBondContact CZ2-ND1 3.07Å; W20-H113 AromaticContact NE1-CG 3.61Å; W20-H113 AromaticContact NE1-ND1 3.17Å; W20-H113 PolarHBondContact NE1-ND1 2.85Å; W20-H113 VanDerWaalsContact NE1-ND1 3.17Å; N109-H113 WeakPolarHBondContact O-CB 3.5Å; N109-H113 PolarHBondContact O-N 2.92Å; C110-H113 WeakPolarHBondContact O-CB 3.28Å; C110-H113 PolarHBondContact O-N 2.93Å; C110-H113 VanDerWaalsContact O-N 3.13Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.47Å; H113-K115 PolarHBondContact O-N 2.84Å; H113-E116 PolarHBondContact O-N 3.05Å; H113-K117 VanDerWaalsContact NE2-CE 3.28Å; H113-K117 WeakPolarHBondContact NE2-CE 3.34Å; H113-K117 WeakPolarHBondContact O-CG 3.3Å; H113-K117 PolarHBondContact O-N 2.97Å
114	L	97.7	Very high	97.6	Very high	20 Å²	20	64.1 Å²	64.1	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-43.9	176.1	-68.8	169.1	0	0	0	111.8	C110 L111 K112 K117 N118 I119 T121 L136 L138 L150	C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.23Å; C110-L114 PolarHBondContact O-N 3.36Å; L111-L114 PolarHBondContact O-N 3.01Å; K112-L114 PolarHBondContact O-N 3.39Å; L114-K117 CarbonylContact O-C 3.45Å; L114-K117 PolarHBondContact O-N 3.39Å; L114-N118 PolarHBondContact O-N 2.88Å; L114-N118 VanDerWaalsContact O-N 3.16Å; L114-I119 HydrophobicContact CB-CB 4.31Å; L114-I119 HydrophobicContact CD2-CB 3.95Å; L114-I119 HydrophobicContact CD2-CG1 4.22Å; L114-I119 HydrophobicContact CD2-CG2 3.93Å; L114-I119 PolarHBondContact O-N 2.64Å; L114-T121 HydrophobicContact CD1-CG2 4.41Å; L114-L136 HydrophobicContact CD1-CD2 4.03Å; L114-L138 HydrophobicContact CD1-CD2 3.68Å; L114-L138 HydrophobicContact CD2-CD2 4.33Å; L114-L150 HydrophobicContact CD1-CD1 3.89Å
115	K	97.5	Very high	97.6	Very high	98 Å²	98	68.9 Å²	68.9	43%	0.426	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-46.1	175.4	-74.5	175	177	171.2	0	111.3	L111 K112 H113 K117 N118 A124 E125	L111-K115 HydrophobicContact CD1-CD 4.29Å; L111-K115 HydrophobicContact CD1-CG 4.21Å; L111-K115 HydrophobicContact CG-CD 4.22Å; L111-K115 WeakPolarHBondContact O-CB 3.31Å; L111-K115 WeakPolarHBondContact O-CG 2.97Å; L111-K115 PolarHBondContact O-N 3.3Å; K112-K115 PolarHBondContact O-N 2.86Å; H113-K115 PolarHBondContact O-N 2.84Å; K115-K117 PolarHBondContact O-N 3.36Å; K115-N118 PolarHBondContact O-N 2.82Å; K115-A124 WeakPolarHBondContact CE-O 3.33Å; K115-A124 PolarHBondContact NZ-O 3.06Å; K115-E125 IonicContact NZ-OE1 2.6Å; K115-E125 PolarHBondContact NZ-OE1 3.48Å
116	E	97.3	Very high	97.7	Very high	120 Å²	120	68.7 Å²	68.7	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-31	176.4	-71.8	169.3	-175.9	0	0	113	K112 H113 N118	K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.32Å; H113-E116 PolarHBondContact O-N 3.05Å; E116-N118 VanDerWaalsContact C-N 3.34Å
117	K	97	Very high	97.7	Very high	131 Å²	131	73.1 Å²	73.1	57%	0.57	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	5	177.2	-62.1	-59.5	-178.9	-174.8	0	113.8	H113 L114 K115 I119	H113-K117 VanDerWaalsContact NE2-CE 3.28Å; H113-K117 WeakPolarHBondContact NE2-CE 3.34Å; H113-K117 WeakPolarHBondContact O-CG 3.3Å; H113-K117 PolarHBondContact O-N 2.97Å; L114-K117 CarbonylContact O-C 3.45Å; L114-K117 PolarHBondContact O-N 3.39Å; K115-K117 PolarHBondContact O-N 3.36Å; K117-I119 HydrophobicContact CB-CG1 3.95Å; K117-I119 PolarHBondContact O-N 3.22Å
118	N	97.2	Very high	97.7	Very high	143 Å²	143	78.3 Å²	78.3	77%	0.765	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	32.1	-176.5	-56.3	-71.2	0	0	0	113.4	L114 K115 E116	L114-N118 PolarHBondContact O-N 2.88Å; L114-N118 VanDerWaalsContact O-N 3.16Å; K115-N118 PolarHBondContact O-N 2.82Å; E116-N118 VanDerWaalsContact C-N 3.34Å
119	I	98.2	Very high	97.6	Very high	60 Å²	60	72.5 Å²	72.5	31%	0.308	36%	0.361	S	S	.	.			trans	-82.5	130.9	173.5	-56.7	-58	0	0	0	108.8	L114 K117 D142	L114-I119 HydrophobicContact CB-CB 4.31Å; L114-I119 HydrophobicContact CD2-CB 3.95Å; L114-I119 HydrophobicContact CD2-CG1 4.22Å; L114-I119 HydrophobicContact CD2-CG2 3.93Å; L114-I119 PolarHBondContact O-N 2.64Å; K117-I119 HydrophobicContact CB-CG1 3.95Å; K117-I119 PolarHBondContact O-N 3.22Å; I119-D142 HydrophobicContact CG2-CB 4.21Å
120	R	98.5	Very high	97.4	Very high	107 Å²	107	71 Å²	71	40%	0.404	36%	0.355	S	S	.	.			trans	-80.5	139	-177	-62.2	169.4	-75.8	-163.5	-8.3	111	H139 D142	R120-H139 HydrophobicContact CB-CB 3.52Å; R120-H139 WeakPolarHBondContact O-CB 3.29Å; R120-H139 PolarHBondContact O-N 3.04Å; R120-D142 WeakPolarHBondContact CB-OD2 3.17Å; R120-D142 WeakPolarHBondContact CG-OD2 3.42Å; R120-D142 IonicContact CZ-OD1 2.64Å; R120-D142 VanDerWaalsContact CZ-OD1 3.32Å; R120-D142 IonicContact CZ-OD2 3.8Å; R120-D142 PolarHBondContact N-OD2 3.28Å; R120-D142 IonicContact NE-OD1 2.75Å; R120-D142 PolarHBondContact NE-OD1 2.98Å; R120-D142 IonicContact NE-OD2 3.32Å; R120-D142 PolarHBondContact NE-OD2 2.91Å; R120-D142 IonicContact NH2-OD1 3.22Å; R120-D142 PolarHBondContact NH2-OD1 3.48Å; R120-D142 IonicContact NH2-OD2 2.88Å
121	T	98.5	Very high	97.1	Very high	34 Å²	34	73.4 Å²	73.4	21%	0.209	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-117.4	155	172.7	56.4	0	0	0	0	109.7	L111 L114 S123 L136 F137 L138	L111-T121 HydrophobicContact CD1-CG2 4.14Å; L114-T121 HydrophobicContact CD1-CG2 4.41Å; T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 WeakPolarHBondContact CB-O 3.42Å; T121-S123 PolarHBondContact OG1-O 2.67Å; T121-L136 HydrophobicContact CG2-CD1 4.09Å; T121-L136 HydrophobicContact CG2-CD2 3.83Å; T121-L136 HydrophobicContact CG2-CG 4.07Å; T121-F137 CarbonylContact C-O 3.5Å; T121-F137 WeakPolarHBondContact CA-O 3.3Å; T121-L138 HydrophobicContact CG2-CD2 4.18Å
122	L	97.9	Very high	97	Very high	97 Å²	97	75.7 Å²	75.7	51%	0.508	40%	0.397	S	S	.	.	S	Bend	trans	-77	-18.5	177.4	-60.9	-170.2	0	0	0	112.9	F137 H139 L147	L122-F137 HydrophobicContact CB-CB 4.06Å; L122-F137 HydrophobicContact CD1-CB 3.75Å; L122-F137 HydrophobicContact CG-CB 3.94Å; L122-F137 PolarHBondContact N-O 2.75Å; L122-H139 HydrophobicContact CD2-CB 4.06Å; L122-L147 HydrophobicContact CD1-CD1 3.77Å
123	S	97.5	Very high	97	Very high	22 Å²	22	71.3 Å²	71.3	15%	0.154	38%	0.381	C	S	.	.	S	Bend	trans	-130.7	150.1	171.9	59.2	0	0	0	0	111.1	T121 E125	T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 WeakPolarHBondContact CB-O 3.42Å; T121-S123 PolarHBondContact OG1-O 2.67Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 WeakPolarHBondContact CB-O 3.45Å; S123-E125 PolarHBondContact O-N 2.81Å; S123-E125 PolarHBondContact OG-O 3.37Å
124	A	97.4	Very high	97.1	Very high	74 Å²	74	69.8 Å²	69.8	61%	0.612	38%	0.376	S	S	*	.	S	Bend	trans	-68.3	-30.2	179.7	0	0	0	0	0	113.1	K115	K115-A124 WeakPolarHBondContact CE-O 3.33Å; K115-A124 PolarHBondContact NZ-O 3.06Å
125	E	98.2	Very high	97.1	Very high	99 Å²	99	69.3 Å²	69.3	46%	0.463	37%	0.374	S	S	.	.	S	Bend	trans	-133.6	158.1	179	-63.4	-55.3	139.4	0	0	110.1	L111 K115 S123	L111-E125 WeakPolarHBondContact CD2-OE2 3.48Å; K115-E125 IonicContact NZ-OE1 2.6Å; K115-E125 PolarHBondContact NZ-OE1 3.48Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 WeakPolarHBondContact CB-O 3.45Å; S123-E125 PolarHBondContact O-N 2.81Å; S123-E125 PolarHBondContact OG-O 3.37Å
126	P	98.4	Very high	97.2	Very high	20 Å²	20	64.7 Å²	64.7	13%	0.13	35%	0.354	C	S	.	.			trans	-63.5	152.3	174	-17.8	34.4	0	0	0	110.8	I107 Y108 L111 P134 V135	I107-P126 HydrophobicContact CD1-CB 4.16Å; I107-P126 HydrophobicContact CD1-CG 4.45Å; I107-P126 HydrophobicContact CG1-CB 4.48Å; I107-P126 HydrophobicContact CG1-CG 4.23Å; I107-P126 HydrophobicContact CG2-CB 4.36Å; I107-P126 HydrophobicContact CG2-CG 4.1Å; Y108-P126 HydrophobicContact CD1-CG 4.11Å; Y108-P126 HydrophobicContact CE1-CG 3.93Å; L111-P126 HydrophobicContact CD2-CG 4.12Å; P126-P134 HydrophobicContact CB-CB 4.1Å; P126-V135 CarbonylContact C-O 3.59Å; P126-V135 VanDerWaalsContact CA-O 3.28Å; P126-V135 WeakPolarHBondContact CA-O 3.44Å
127	K	97.5	Very high	97.2	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.617	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	155	177.3	-65.3	-176.8	179.3	-179.2	0	109.8	G129 P134 V135	K127-G129 PolarHBondContact O-N 3.3Å; K127-P134 CarbonylContact O-C 3.46Å; K127-P134 WeakPolarHBondContact O-CA 3.38Å; K127-V135 PolarHBondContact N-O 3.28Å; K127-V135 WeakPolarHBondContact O-CG2 3.32Å; K127-V135 PolarHBondContact O-N 3.08Å
128	I	97.1	Very high	97.3	Very high	109 Å²	109	55.9 Å²	55.9	56%	0.559	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.9	173.6	-57.1	-54.6	0	0	0	109.1	P134	I128-P134 HydrophobicContact CD1-CG 4Å
129	G	95	Very high	97.4	Very high	7 Å²	7	51.6 Å²	51.6	7%	0.072	29%	0.29	C	S	.	.			trans	-89.7	-177.3	177.2	0	0	0	0	0	112.8	K127 S131 G132 V133	K127-G129 PolarHBondContact O-N 3.3Å; G129-S131 PolarHBondContact O-N 3.43Å; G129-S131 VanDerWaalsContact O-N 3.15Å; G129-G132 PolarHBondContact O-N 3.22Å; G129-V133 PolarHBondContact N-O 2.95Å
130	A	93.6	Very high	97.4	Very high	22 Å²	22	50.4 Å²	50.4	18%	0.182	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.7	-176.8	0	0	0	0	0	113.6	F56 H59 F61 G132	F56-A130 HydrophobicContact CD1-CB 3.76Å; F56-A130 HydrophobicContact CE1-CB 4.05Å; F56-A130 WeakPolarHBondContact CE1-O 3.19Å; F56-A130 HydrophobicContact CG-CB 4.26Å; H59-A130 PolarHBondContact NE2-N 3.33Å; F61-A130 HydrophobicContact CE2-CB 4.31Å; F61-A130 HydrophobicContact CZ-CB 3.72Å; A130-G132 PolarHBondContact O-N 3Å
131	S	92.7	Very high	97.3	Very high	51 Å²	51	52 Å²	52	36%	0.357	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.3	174.5	-54.1	0	0	0	0	113.5	G129 V133 E151	G129-S131 PolarHBondContact O-N 3.43Å; G129-S131 VanDerWaalsContact O-N 3.15Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-E151 VanDerWaalsContact CB-OE2 3.23Å; S131-E151 WeakPolarHBondContact CB-OE2 3.46Å; S131-E151 PolarHBondContact OG-OE2 2.72Å
132	G	95.3	Very high	97.3	Very high	53 Å²	53	53.1 Å²	53.1	55%	0.546	30%	0.301	S	S	.	.	S	Bend	trans	81.2	6.9	-179.6	0	0	0	0	0	114.4	G129 A130	G129-G132 PolarHBondContact O-N 3.22Å; A130-G132 PolarHBondContact O-N 3Å
133	V	97.4	Very high	97.3	Very high	37 Å²	37	49.7 Å²	49.7	22%	0.224	28%	0.283	C	S	.	.	S	Bend	trans	-114.5	159.7	178.3	-66.3	0	0	0	0	111.2	G129 S131 V135 E151 I153	G129-V133 PolarHBondContact N-O 2.95Å; S131-V133 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 3.18Å; V133-E151 HydrophobicContact CG2-CG 3.36Å; V133-I153 HydrophobicContact CG1-CD1 4.46Å; V133-I153 HydrophobicContact CG2-CD1 4.31Å
134	P	98.6	Very high	97.3	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	132.8	173.5	-25	34.6	0	0	0	112.7	I107 P126 K127 I128 H152	I107-P134 HydrophobicContact CG2-CB 4.03Å; P126-P134 HydrophobicContact CB-CB 4.1Å; K127-P134 CarbonylContact O-C 3.46Å; K127-P134 WeakPolarHBondContact O-CA 3.38Å; I128-P134 HydrophobicContact CD1-CG 4Å; P134-H152 HydrophobicContact CB-CB 3.96Å; P134-H152 HydrophobicContact CG-CB 4.29Å; P134-H152 VanDerWaalsContact O-CB 3.32Å; P134-H152 WeakPolarHBondContact O-CB 3.2Å; P134-H152 PolarHBondContact O-N 3.02Å
135	V	98.6	Very high	97.2	Very high	10 Å²	10	57.3 Å²	57.3	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.9	174.8	-57.2	0	0	0	0	111.4	P126 K127 V133 F137 E149 L150 E151	P126-V135 CarbonylContact C-O 3.59Å; P126-V135 VanDerWaalsContact CA-O 3.28Å; P126-V135 WeakPolarHBondContact CA-O 3.44Å; K127-V135 PolarHBondContact N-O 3.28Å; K127-V135 WeakPolarHBondContact O-CG2 3.32Å; K127-V135 PolarHBondContact O-N 3.08Å; V133-V135 PolarHBondContact O-N 3.18Å; V135-F137 HydrophobicContact CG2-CE2 4.38Å; V135-E149 HydrophobicContact CB-CG 4.09Å; V135-E149 HydrophobicContact CG1-CG 4.4Å; V135-L150 CarbonylContact C-O 3.57Å; V135-L150 WeakPolarHBondContact CA-O 3.49Å; V135-E151 HydrophobicContact CG1-CB 4.26Å; V135-E151 HydrophobicContact CG1-CG 4.07Å
136	L	98.6	Very high	97.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	127.7	177	-179	71.9	0	0	0	109.9	I107 L111 L114 T121 L150	I107-L136 HydrophobicContact CD1-CB 3.85Å; I107-L136 HydrophobicContact CG1-CB 4.3Å; L111-L136 HydrophobicContact CB-CD2 4.23Å; L111-L136 HydrophobicContact CD1-CD1 4.45Å; L111-L136 HydrophobicContact CD1-CD2 3.76Å; L111-L136 HydrophobicContact CG-CD2 4.49Å; L114-L136 HydrophobicContact CD1-CD2 4.03Å; T121-L136 HydrophobicContact CG2-CD1 4.09Å; T121-L136 HydrophobicContact CG2-CD2 3.83Å; T121-L136 HydrophobicContact CG2-CG 4.07Å; L136-L150 HydrophobicContact CB-CB 4.47Å; L136-L150 HydrophobicContact CD2-CD1 4.48Å; L136-L150 PolarHBondContact N-O 3.3Å; L136-L150 PolarHBondContact O-N 2.57Å
137	F	98.7	Very high	97.2	Very high	50 Å²	50	55.3 Å²	55.3	22%	0.219	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.8	175.4	-73.8	-91.7	0	0	0	111.6	H99 T121 L122 V135 L147 H148 E149	H99-F137 HydrophobicContact CB-CE1 4.37Å; T121-F137 CarbonylContact C-O 3.5Å; T121-F137 WeakPolarHBondContact CA-O 3.3Å; L122-F137 HydrophobicContact CB-CB 4.06Å; L122-F137 HydrophobicContact CD1-CB 3.75Å; L122-F137 HydrophobicContact CG-CB 3.94Å; L122-F137 PolarHBondContact N-O 2.75Å; V135-F137 HydrophobicContact CG2-CE2 4.38Å; F137-L147 HydrophobicContact CB-CD1 4.22Å; F137-L147 HydrophobicContact CD1-CD1 3.69Å; F137-L147 HydrophobicContact CD1-CD2 4.02Å; F137-L147 HydrophobicContact CD1-CG 3.73Å; F137-L147 HydrophobicContact CE1-CD2 4.13Å; F137-L147 HydrophobicContact CE1-CG 4.17Å; F137-L147 HydrophobicContact CG-CD1 4.38Å; F137-H148 CarbonylContact C-O 3.55Å; F137-H148 WeakPolarHBondContact CA-O 3.41Å; F137-E149 HydrophobicContact CD1-CB 3.96Å; F137-E149 HydrophobicContact CD1-CG 4.41Å; F137-E149 HydrophobicContact CD2-CG 4.49Å; F137-E149 HydrophobicContact CE1-CB 3.58Å; F137-E149 HydrophobicContact CE1-CG 3.95Å; F137-E149 HydrophobicContact CE2-CG 4Å; F137-E149 VanDerWaalsContact CE2-OE1 3.31Å; F137-E149 WeakPolarHBondContact CE2-OE1 3.05Å; F137-E149 HydrophobicContact CZ-CB 3.88Å; F137-E149 HydrophobicContact CZ-CG 3.72Å; F137-E149 WeakPolarHBondContact CZ-OE1 3.42Å
138	L	98.8	Very high	97.3	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.089	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-78.9	145.6	170.4	-55.5	-173.9	0	0	0	110.3	L114 T121 P140 T143 H148 L150	L114-L138 HydrophobicContact CD1-CD2 3.68Å; L114-L138 HydrophobicContact CD2-CD2 4.33Å; T121-L138 HydrophobicContact CG2-CD2 4.18Å; L138-P140 WeakPolarHBondContact O-CD 3.38Å; L138-T143 HydrophobicContact CB-CG2 4.1Å; L138-T143 HydrophobicContact CD1-CG2 3.91Å; L138-H148 HydrophobicContact CB-CB 4.21Å; L138-H148 HydrophobicContact CD1-CB 4.04Å; L138-H148 HydrophobicContact CG-CB 4.19Å; L138-H148 PolarHBondContact N-O 3.43Å; L138-L150 HydrophobicContact CD2-CD1 4.01Å; L138-L150 HydrophobicContact CD2-CG 4.47Å; L138-L150 HydrophobicContact CG-CD1 4.42Å; L138-L150 HydrophobicContact CG-CG 4.42Å
139	H	98.5	Very high	97.4	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.245	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.6	125.8	177.6	-169.1	-64.6	0	0	0	110.1	R120 L122 K141 D142 T143	R120-H139 HydrophobicContact CB-CB 3.52Å; R120-H139 WeakPolarHBondContact O-CB 3.29Å; R120-H139 PolarHBondContact O-N 3.04Å; L122-H139 HydrophobicContact CD2-CB 4.06Å; H139-K141 VanDerWaalsContact CE1-CD 3.48Å; H139-K141 WeakPolarHBondContact CE1-CD 3.37Å; H139-K141 VanDerWaalsContact CE1-CG 3.46Å; H139-K141 WeakPolarHBondContact CE1-CG 3.33Å; H139-K141 WeakPolarHBondContact ND1-CB 3.5Å; H139-K141 PolarHBondContact ND1-N 3.31Å; H139-K141 PolarHBondContact O-N 3.2Å; H139-D142 PolarHBondContact O-N 3.27Å; H139-T143 PolarHBondContact O-OG1 2.95Å
140	P	97.9	Very high	97.5	Very high	35 Å²	35	46.4 Å²	46.4	23%	0.227	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-55.3	-30.1	-173.4	-29.9	35.7	0	0	0	115.6	L138 D142 T143 C144 N145 L147	L138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-D142 PolarHBondContact O-N 3.27Å; P140-T143 WeakPolarHBondContact CA-OG1 3.26Å; P140-T143 CarbonylContact O-C 3.6Å; P140-T143 PolarHBondContact O-N 3.03Å; P140-T143 PolarHBondContact O-OG1 3.16Å; P140-C144 PolarHBondContact O-N 3.27Å; P140-N145 VanDerWaalsContact O-CA 3.32Å; P140-N145 WeakPolarHBondContact O-CA 3.49Å; P140-N145 PolarHBondContact O-N 3.46Å; P140-L147 HydrophobicContact CG-CB 4.37Å; P140-L147 HydrophobicContact CG-CD1 4.05Å
141	K	98.1	Very high	97.8	Very high	140 Å²	140	45.7 Å²	45.7	61%	0.609	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.3	-21.7	174.3	-69.9	176.9	-179	177	0	114.8	H139	H139-K141 VanDerWaalsContact CE1-CD 3.48Å; H139-K141 WeakPolarHBondContact CE1-CD 3.37Å; H139-K141 VanDerWaalsContact CE1-CG 3.46Å; H139-K141 WeakPolarHBondContact CE1-CG 3.33Å; H139-K141 WeakPolarHBondContact ND1-CB 3.5Å; H139-K141 PolarHBondContact ND1-N 3.31Å; H139-K141 PolarHBondContact O-N 3.2Å
142	D	98.3	Very high	98	Very high	58 Å²	58	44.6 Å²	44.6	31%	0.31	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-97.5	-6.2	175.7	-67.4	-27.6	0	0	0	112.9	I119 R120 H139 P140	I119-D142 HydrophobicContact CG2-CB 4.21Å; R120-D142 WeakPolarHBondContact CB-OD2 3.17Å; R120-D142 WeakPolarHBondContact CG-OD2 3.42Å; R120-D142 IonicContact CZ-OD1 2.64Å; R120-D142 VanDerWaalsContact CZ-OD1 3.32Å; R120-D142 IonicContact CZ-OD2 3.8Å; R120-D142 PolarHBondContact N-OD2 3.28Å; R120-D142 IonicContact NE-OD1 2.75Å; R120-D142 PolarHBondContact NE-OD1 2.98Å; R120-D142 IonicContact NE-OD2 3.32Å; R120-D142 PolarHBondContact NE-OD2 2.91Å; R120-D142 IonicContact NH2-OD1 3.22Å; R120-D142 PolarHBondContact NH2-OD1 3.48Å; R120-D142 IonicContact NH2-OD2 2.88Å; H139-D142 PolarHBondContact O-N 3.27Å; P140-D142 PolarHBondContact O-N 3.27Å
143	T	97.5	Very high	98.1	Very high	24 Å²	24	44.6 Å²	44.6	15%	0.147	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	41.8	-172.2	48.7	0	0	0	0	111.2	L138 H139 P140 N145 V146	L138-T143 HydrophobicContact CB-CG2 4.1Å; L138-T143 HydrophobicContact CD1-CG2 3.91Å; H139-T143 PolarHBondContact O-OG1 2.95Å; P140-T143 WeakPolarHBondContact CA-OG1 3.26Å; P140-T143 CarbonylContact O-C 3.6Å; P140-T143 PolarHBondContact O-N 3.03Å; P140-T143 PolarHBondContact O-OG1 3.16Å; T143-N145 PolarHBondContact O-N 3.29Å; T143-N145 VanDerWaalsContact O-N 3.16Å; T143-V146 WeakPolarHBondContact CB-O 3.31Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.84Å; T143-V146 PolarHBondContact OG1-O 3.13Å
144	C	97.2	Very high	97.7	Very high	121 Å²	121	46.8 Å²	46.8	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	38.2	175.2	-59.9	0	0	0	0	114.2	P140 V146	P140-C144 PolarHBondContact O-N 3.27Å; C144-V146 PolarHBondContact O-N 3.49Å
145	N	96.2	Very high	96.9	Very high	135 Å²	135	50.7 Å²	50.7	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	16.6	-175	-58.3	-47.7	0	0	0	115.2	P140 T143	P140-N145 VanDerWaalsContact O-CA 3.32Å; P140-N145 WeakPolarHBondContact O-CA 3.49Å; P140-N145 PolarHBondContact O-N 3.46Å; T143-N145 PolarHBondContact O-N 3.29Å; T143-N145 VanDerWaalsContact O-N 3.16Å
146	V	97.7	Very high	95.7	Very high	48 Å²	48	57 Å²	57	29%	0.291	30%	0.304	S	S	.	.			trans	-94.3	130	170.9	-177.1	0	0	0	0	109.2	L100 T143 C144 H148	L100-V146 HydrophobicContact CD1-CG1 3.97Å; L100-V146 HydrophobicContact CG-CG1 4.2Å; T143-V146 WeakPolarHBondContact CB-O 3.31Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.84Å; T143-V146 PolarHBondContact OG1-O 3.13Å; C144-V146 PolarHBondContact O-N 3.49Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.49Å; V146-H148 PolarHBondContact O-CD2 2.95Å; V146-H148 PolarHBondContact O-N 3.37Å
147	L	98.4	Very high	94.1	Very high	30 Å²	30	63 Å²	63	16%	0.157	34%	0.336	C	S	.	.			trans	-78.4	116.2	171	-175.8	61.1	0	0	0	108.9	H99 L100 L122 F137 P140	H99-L147 WeakPolarHBondContact CA-O 3.41Å; H99-L147 HydrophobicContact CB-CB 3.95Å; H99-L147 HydrophobicContact CB-CD2 4.03Å; H99-L147 HydrophobicContact CB-CG 3.86Å; H99-L147 WeakPolarHBondContact CB-O 3.47Å; L100-L147 PolarHBondContact N-O 3Å; L122-L147 HydrophobicContact CD1-CD1 3.77Å; F137-L147 HydrophobicContact CB-CD1 4.22Å; F137-L147 HydrophobicContact CD1-CD1 3.69Å; F137-L147 HydrophobicContact CD1-CD2 4.02Å; F137-L147 HydrophobicContact CD1-CG 3.73Å; F137-L147 HydrophobicContact CE1-CD2 4.13Å; F137-L147 HydrophobicContact CE1-CG 4.17Å; F137-L147 HydrophobicContact CG-CD1 4.38Å; P140-L147 HydrophobicContact CG-CB 4.37Å; P140-L147 HydrophobicContact CG-CD1 4.05Å
148	H	98.7	Very high	92.1	Very high	46 Å²	46	63.4 Å²	63.4	21%	0.213	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.7	175.2	-76.9	-98.9	0	0	0	110	L100 F137 L138 V146	L100-H148 CarbonylContact O-C 3.55Å; L100-H148 WeakPolarHBondContact O-CA 3.19Å; F137-H148 CarbonylContact C-O 3.55Å; F137-H148 WeakPolarHBondContact CA-O 3.41Å; L138-H148 HydrophobicContact CB-CB 4.21Å; L138-H148 HydrophobicContact CD1-CB 4.04Å; L138-H148 HydrophobicContact CG-CB 4.19Å; L138-H148 PolarHBondContact N-O 3.43Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.49Å; V146-H148 PolarHBondContact O-CD2 2.95Å; V146-H148 PolarHBondContact O-N 3.37Å
149	E	98.8	Very high	89.8	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.07	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.1	164.9	-171.9	177.1	-129.3	0	0	109.2	H27 H99 L100 C101 V102 V135 F137	H27-E149 IonicContact CE1-OE2 2.97Å; H27-E149 PolarHBondContact CE1-OE2 3.26Å; H27-E149 IonicContact NE2-OE2 2.83Å; H99-E149 IonicContact NE2-OE2 3.23Å; L100-E149 PolarHBondContact O-N 2.93Å; C101-E149 WeakPolarHBondContact CA-O 3.38Å; C101-E149 HydrophobicContact CB-CB 4Å; C101-E149 WeakPolarHBondContact CB-OE2 3.16Å; C101-E149 PolarHBondContact SG-OE2 3.16Å; V102-E149 PolarHBondContact N-O 3.17Å; V135-E149 HydrophobicContact CB-CG 4.09Å; V135-E149 HydrophobicContact CG1-CG 4.4Å; F137-E149 HydrophobicContact CD1-CB 3.96Å; F137-E149 HydrophobicContact CD1-CG 4.41Å; F137-E149 HydrophobicContact CD2-CG 4.49Å; F137-E149 HydrophobicContact CE1-CB 3.58Å; F137-E149 HydrophobicContact CE1-CG 3.95Å; F137-E149 HydrophobicContact CE2-CG 4Å; F137-E149 VanDerWaalsContact CE2-OE1 3.31Å; F137-E149 WeakPolarHBondContact CE2-OE1 3.05Å; F137-E149 HydrophobicContact CZ-CB 3.88Å; F137-E149 HydrophobicContact CZ-CG 3.72Å; F137-E149 WeakPolarHBondContact CZ-OE1 3.42Å
150	L	98.8	Very high	87	Confident	10 Å²	10	76.7 Å²	76.7	5%	0.052	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.3	167	-53.8	-176.6	0	0	0	107.6	V102 V104 I107 L114 V135 L136 L138	V102-L150 HydrophobicContact CG2-CD2 3.39Å; V102-L150 CarbonylContact O-C 3.51Å; V102-L150 WeakPolarHBondContact O-CA 2.93Å; V104-L150 HydrophobicContact CG1-CD2 4.48Å; V104-L150 HydrophobicContact CG2-CB 4.3Å; I107-L150 HydrophobicContact CD1-CB 4.41Å; I107-L150 WeakPolarHBondContact CD1-O 3.36Å; L114-L150 HydrophobicContact CD1-CD1 3.89Å; V135-L150 CarbonylContact C-O 3.57Å; V135-L150 WeakPolarHBondContact CA-O 3.49Å; L136-L150 HydrophobicContact CB-CB 4.47Å; L136-L150 HydrophobicContact CD2-CD1 4.48Å; L136-L150 PolarHBondContact N-O 3.3Å; L136-L150 PolarHBondContact O-N 2.57Å; L138-L150 HydrophobicContact CD2-CD1 4.01Å; L138-L150 HydrophobicContact CD2-CG 4.47Å; L138-L150 HydrophobicContact CG-CD1 4.42Å; L138-L150 HydrophobicContact CG-CG 4.42Å
151	E	98.5	Very high	86.5	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.028	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.4	177.9	-174	169.4	89.6	0	0	110.1	N26 C101 V102 E103 V104 S131 V133 V135 I153	N26-E151 PolarHBondContact ND2-OE1 3.19Å; C101-E151 VanDerWaalsContact SG-CB 3.59Å; V102-E151 PolarHBondContact O-N 2.83Å; E103-E151 CarbonylContact C-O 3.5Å; E103-E151 VanDerWaalsContact CA-O 3.3Å; E103-E151 WeakPolarHBondContact CA-O 3.36Å; V104-E151 PolarHBondContact N-O 2.95Å; S131-E151 VanDerWaalsContact CB-OE2 3.23Å; S131-E151 WeakPolarHBondContact CB-OE2 3.46Å; S131-E151 PolarHBondContact OG-OE2 2.72Å; V133-E151 HydrophobicContact CG2-CG 3.36Å; V135-E151 HydrophobicContact CG1-CB 4.26Å; V135-E151 HydrophobicContact CG1-CG 4.07Å; E151-I153 HydrophobicContact CG-CD1 4.3Å; E151-I153 HydrophobicContact CG-CG1 4.36Å; E151-I153 PolarHBondContact O-N 3.45Å
152	H	98.3	Very high	85.9	Confident	29 Å²	29	75.5 Å²	75.5	13%	0.134	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.5	-179.2	-176	45	0	0	0	111.3	V104 D105 I107 P134	V104-H152 WeakPolarHBondContact O-CA 3.28Å; V104-H152 PolarHBondContact O-ND1 2.6Å; D105-H152 PolarHBondContact O-CE1 3.1Å; D105-H152 PolarHBondContact O-ND1 2.74Å; I107-H152 HydrophobicContact CB-CB 3.76Å; I107-H152 HydrophobicContact CD1-CB 4.23Å; I107-H152 HydrophobicContact CG2-CB 3.65Å; I107-H152 PolarHBondContact N-ND1 3.18Å; P134-H152 HydrophobicContact CB-CB 3.96Å; P134-H152 HydrophobicContact CG-CB 4.29Å; P134-H152 VanDerWaalsContact O-CB 3.32Å; P134-H152 WeakPolarHBondContact O-CB 3.2Å; P134-H152 PolarHBondContact O-N 3.02Å
153	I	96.7	Very high	85.2	Confident	52 Å²	52	76.5 Å²	76.5	27%	0.267	43%	0.432	S	S	.	.			trans	-127.7	99.9	174.8	-58.6	-63.3	0	0	0	107.3	E103 V104 D105 V133 E151	E103-I153 HydrophobicContact CB-CB 4.32Å; E103-I153 HydrophobicContact CB-CG1 4.21Å; E103-I153 VanDerWaalsContact CD-CG1 3.45Å; E103-I153 HydrophobicContact CG-CB 4.38Å; E103-I153 HydrophobicContact CG-CG1 3.8Å; V104-I153 PolarHBondContact O-N 3.05Å; D105-I153 VanDerWaalsContact CA-O 3.31Å; D105-I153 WeakPolarHBondContact CA-O 3.42Å; V133-I153 HydrophobicContact CG1-CD1 4.46Å; V133-I153 HydrophobicContact CG2-CD1 4.31Å; E151-I153 HydrophobicContact CG-CD1 4.3Å; E151-I153 HydrophobicContact CG-CG1 4.36Å; E151-I153 PolarHBondContact O-N 3.45Å
154	P	89.8	Confident	84.4	Confident	83 Å²	83	79.6 Å²	79.6	54%	0.539	45%	0.449	S	S	.	.			trans	-51.8	146.6	177.7	-24.9	33.4	0	0	0	111.3	D156	P154-D156 PolarHBondContact O-N 2.81Å
155	E	81.3	Confident	83.6	Confident	102 Å²	102	77 Å²	77	48%	0.477	43%	0.426	S	S	.	.			trans	-59	132.5	167.7	-76.2	-175.1	-130.7	0	0	109.4	K21 D105 D157	K21-E155 VanDerWaalsContact CE-CD 3.44Å; K21-E155 WeakPolarHBondContact CE-OE1 3.43Å; K21-E155 IonicContact NZ-OE1 2.74Å; K21-E155 PolarHBondContact NZ-OE1 3.01Å; K21-E155 IonicContact NZ-OE2 3.88Å; K21-E155 PolarHBondContact NZ-OE2 3.47Å; D105-E155 HydrophobicContact CB-CG 3.89Å; E155-D157 PolarHBondContact O-N 3.39Å; E155-D157 VanDerWaalsContact O-N 3.08Å
156	D	73.4	Confident	82.8	Confident	141 Å²	141	73.1 Å²	73.1	75%	0.754	41%	0.406	S	S	*	.			trans	-63	108.5	164	-175.1	0.2	0	0	0	106.8	P154 G158	P154-D156 PolarHBondContact O-N 2.81Å; D156-G158 PolarHBondContact O-N 3.07Å; D156-G158 PolarHBondContact OD1-N 2.74Å
157	D	63.6	Low	81.7	Confident	129 Å²	129	74.9 Å²	74.9	69%	0.69	41%	0.414	S	S	*	.			trans	-73.7	2.9	178.9	64.5	-0.6	0	0	0	112	E155 S159	E155-D157 PolarHBondContact O-N 3.39Å; E155-D157 VanDerWaalsContact O-N 3.08Å; D157-S159 VanDerWaalsContact CG-OG 3.25Å; D157-S159 PolarHBondContact O-N 3.44Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 2.72Å; D157-S159 PolarHBondContact OD1-OG 3.21Å; D157-S159 PolarHBondContact OD2-OG 2.72Å
158	G	56.8	Low	80.5	Confident	57 Å²	57	78.4 Å²	78.4	59%	0.588	43%	0.434	S	S	*	.			trans	68.3	15	-179.5	0	0	0	0	0	112.5	D156 Q160	D156-G158 PolarHBondContact O-N 3.07Å; D156-G158 PolarHBondContact OD1-N 2.74Å; G158-Q160 VanDerWaalsContact C-N 3.28Å; G158-Q160 PolarHBondContact O-N 3.08Å
159	S	50.3	Low	78.9	Confident	87 Å²	87	81.1 Å²	81.1	61%	0.608	45%	0.453	S	S	*	.			trans	-76	82.8	171.9	65.5	0	0	0	0	110	D157	D157-S159 VanDerWaalsContact CG-OG 3.25Å; D157-S159 PolarHBondContact O-N 3.44Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 2.72Å; D157-S159 PolarHBondContact OD1-OG 3.21Å; D157-S159 PolarHBondContact OD2-OG 2.72Å
160	Q	41	Very low	77.1	Confident	262 Å²	262	87.1 Å²	87.1	100%	1.224	49%	0.487	S	S	*	.			trans	-88.3	0	152.8	-70.5	-165.7	5.1	0	0	110.2	G158	G158-Q160 VanDerWaalsContact C-N 3.28Å; G158-Q160 PolarHBondContact O-N 3.08Å

Retrieved 160 of 160 residues in 171 ms (Link to these results)

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