A0A077Z8W0_TRITR Loading...

DNA mismatch repair protein Mlh1

AlphaFold DB , UniProt , Accession A0A077Z8W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.8	Very low	74.7	Confident	240 Å²	240	165.2 Å²	165.2	100%	1.182	84%	0.844	S	S	*	*				0	106.2	0	-76.7	171.7	160.7	0	0	108.1	T3	M1-T3 PolarHBondContact O-N 3.05Å
2	S	57.3	Low	76	Confident	123 Å²	123	160.4 Å²	160.4	86%	0.86	82%	0.821	S	S	*	*			trans	-78.8	104.9	172.2	176.3	0	0	0	0	107.3	S4	S2-S4 PolarHBondContact O-N 2.77Å
3	T	58.3	Low	76.8	Confident	123 Å²	123	157.6 Å²	157.6	76%	0.755	81%	0.809	S	S	*	*			trans	-66.7	105.7	170.2	43.5	0	0	0	0	106.9	M1 K5	M1-T3 PolarHBondContact O-N 3.05Å; T3-K5 VanDerWaalsContact C-N 3.26Å; T3-K5 PolarHBondContact O-N 3.05Å
4	S	62.3	Low	77.3	Confident	110 Å²	110	156.8 Å²	156.8	77%	0.769	80%	0.796	S	S	*	*			trans	-59.8	94.6	171.8	-177.1	0	0	0	0	107.7	S2 I6	S2-S4 PolarHBondContact O-N 2.77Å; S4-I6 PolarHBondContact O-N 3.33Å
5	K	74.2	Confident	77.5	Confident	189 Å²	189	153.6 Å²	153.6	82%	0.822	78%	0.782	S	S	*	*			trans	-66.8	108.3	179	-133.8	178.8	-175.8	-179	0	106.1	T3 R7	T3-K5 VanDerWaalsContact C-N 3.26Å; T3-K5 PolarHBondContact O-N 3.05Å; K5-R7 PolarHBondContact O-N 3.08Å; K5-R7 VanDerWaalsContact O-N 3.08Å
6	I	77.4	Confident	77.7	Confident	163 Å²	163	147.4 Å²	147.4	84%	0.836	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-54.3	117.8	177.9	-61.4	171.4	0	0	0	107.2	S4	S4-I6 PolarHBondContact O-N 3.33Å
7	R	86.1	Confident	78	Confident	227 Å²	227	142.6 Å²	142.6	86%	0.857	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-73.9	136.3	179	-62.6	-170.3	-144.4	178.9	7.8	108.9	K5	K5-R7 PolarHBondContact O-N 3.08Å; K5-R7 VanDerWaalsContact O-N 3.08Å
8	P	85.1	Confident	77.9	Confident	107 Å²	107	135.3 Å²	135.3	70%	0.695	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-64.4	142.6	175.1	27.1	-32.9	0	0	0	110.3	V10	P8-V10 PolarHBondContact O-N 3.39Å
9	I	90.5	Very high	77.6	Confident	176 Å²	176	130.4 Å²	130.4	90%	0.903	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-69.7	123	172.7	-61.2	174.2	0	0	0	107.6
10	V	92	Very high	77.6	Confident	111 Å²	111	128.5 Å²	128.5	67%	0.673	66%	0.659	S	S	*	*			trans	-125.4	149.1	177.8	-62.8	0	0	0	0	109.9	P8	P8-V10 PolarHBondContact O-N 3.39Å
11	R	92.2	Very high	77.5	Confident	248 Å²	248	123.3 Å²	123.3	94%	0.936	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-65.6	137	173.4	-70.2	-176.5	-179.7	153.3	0.1	109.4
12	L	89.4	Confident	78.8	Confident	108 Å²	108	111.9 Å²	111.9	57%	0.565	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-71.7	147.6	170.1	-65.1	176	0	0	0	109.7	V16 V17 I20	L12-V16 HydrophobicContact CB-CB 4.44Å; L12-V16 HydrophobicContact CB-CG1 4.46Å; L12-V16 HydrophobicContact CD1-CG1 4.27Å; L12-V16 HydrophobicContact CD2-CG1 4.33Å; L12-V17 HydrophobicContact CB-CG2 3.8Å; L12-V17 HydrophobicContact CD1-CG2 4.42Å; L12-I20 HydrophobicContact CD1-CD1 4.29Å
13	D	87.3	Confident	79.5	Confident	124 Å²	124	107.1 Å²	107.1	66%	0.663	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.8	168	-78.8	-51.6	0	0	0	110.3	N15 V16 V17	D13-N15 PolarHBondContact O-N 3.15Å; D13-N15 VanDerWaalsContact O-N 3.15Å; D13-V16 HydrophobicContact CB-CG2 4.15Å; D13-V16 WeakPolarHBondContact O-CA 3.47Å; D13-V16 WeakPolarHBondContact O-CB 3.37Å; D13-V16 PolarHBondContact O-N 2.87Å; D13-V17 PolarHBondContact O-N 3.14Å; D13-V17 VanDerWaalsContact O-N 3.15Å
14	K	83.6	Confident	80.3	Confident	146 Å²	146	108.2 Å²	108.2	64%	0.635	55%	0.547	S	S	*	.	H	α-helix	trans	-51.5	-42.6	-179.6	-176.4	-179.4	-178.6	-65.7	0	112.1	V16 V17 D18	K14-V16 VanDerWaalsContact C-N 3.27Å; K14-V16 PolarHBondContact O-N 3.01Å; K14-V17 WeakPolarHBondContact O-CB 3.27Å; K14-V17 PolarHBondContact O-N 3.15Å; K14-V17 VanDerWaalsContact O-N 3.14Å; K14-D18 IonicContact NZ-OD2 2.92Å; K14-D18 PolarHBondContact NZ-OD2 3.45Å; K14-D18 PolarHBondContact O-N 2.97Å
15	N	79.5	Confident	80.8	Confident	109 Å²	109	104.5 Å²	104.5	58%	0.583	52%	0.519	S	S	*	.	H	α-helix	trans	-60.7	-35.9	178.2	-67.8	-18	0	0	0	112.6	D13 Q19	D13-N15 PolarHBondContact O-N 3.15Å; D13-N15 VanDerWaalsContact O-N 3.15Å; N15-Q19 VanDerWaalsContact O-CB 3.23Å; N15-Q19 WeakPolarHBondContact O-CB 3.23Å; N15-Q19 WeakPolarHBondContact O-CG 3.49Å; N15-Q19 PolarHBondContact O-N 3.41Å
16	V	80.6	Confident	80.9	Confident	54 Å²	54	95.5 Å²	95.5	33%	0.327	48%	0.48	S	S	.	.	H	α-helix	trans	-69.1	-42.7	177	177.2	0	0	0	0	110.1	L12 D13 K14 Q19 I20	L12-V16 HydrophobicContact CB-CB 4.44Å; L12-V16 HydrophobicContact CB-CG1 4.46Å; L12-V16 HydrophobicContact CD1-CG1 4.27Å; L12-V16 HydrophobicContact CD2-CG1 4.33Å; D13-V16 HydrophobicContact CB-CG2 4.15Å; D13-V16 WeakPolarHBondContact O-CA 3.47Å; D13-V16 WeakPolarHBondContact O-CB 3.37Å; D13-V16 PolarHBondContact O-N 2.87Å; K14-V16 VanDerWaalsContact C-N 3.27Å; K14-V16 PolarHBondContact O-N 3.01Å; V16-Q19 PolarHBondContact O-N 2.88Å; V16-I20 HydrophobicContact CG1-CD1 3.8Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.43Å; V16-I20 PolarHBondContact O-N 3.21Å
17	V	83.4	Confident	81.1	Confident	67 Å²	67	93 Å²	93	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-47.4	176.4	178.4	0	0	0	0	111.1	L12 D13 K14 Q19 I20 A21	L12-V17 HydrophobicContact CB-CG2 3.8Å; L12-V17 HydrophobicContact CD1-CG2 4.42Å; D13-V17 PolarHBondContact O-N 3.14Å; D13-V17 VanDerWaalsContact O-N 3.15Å; K14-V17 WeakPolarHBondContact O-CB 3.27Å; K14-V17 PolarHBondContact O-N 3.15Å; K14-V17 VanDerWaalsContact O-N 3.14Å; V17-Q19 VanDerWaalsContact C-N 3.32Å; V17-Q19 PolarHBondContact O-N 3.37Å; V17-I20 PolarHBondContact O-N 3.39Å; V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.17Å
18	D	76.7	Confident	81	Confident	11 Å²	11	84 Å²	84	6%	0.059	44%	0.439	C	S	.	.	H	α-helix	trans	-63.6	-39.4	179.9	-70.3	-27.7	0	0	0	111.8	K14 A22 R80	K14-D18 IonicContact NZ-OD2 2.92Å; K14-D18 PolarHBondContact NZ-OD2 3.45Å; K14-D18 PolarHBondContact O-N 2.97Å; D18-A22 VanDerWaalsContact O-CB 3.27Å; D18-A22 WeakPolarHBondContact O-CB 3.38Å; D18-A22 PolarHBondContact O-N 3.41Å; D18-R80 WeakPolarHBondContact OD1-CD 3.48Å; D18-R80 IonicContact OD1-CZ 3.61Å; D18-R80 IonicContact OD1-NE 3.69Å; D18-R80 IonicContact OD1-NH1 2.84Å; D18-R80 PolarHBondContact OD1-NH1 3.16Å
19	Q	72.6	Confident	81.1	Confident	42 Å²	42	80.1 Å²	80.1	20%	0.196	41%	0.414	C	S	.	.	H	α-helix	trans	-65.9	-43.2	176	-79.7	178.2	5.7	0	0	113.6	N15 V16 V17 G23 K135 V137	N15-Q19 VanDerWaalsContact O-CB 3.23Å; N15-Q19 WeakPolarHBondContact O-CB 3.23Å; N15-Q19 WeakPolarHBondContact O-CG 3.49Å; N15-Q19 PolarHBondContact O-N 3.41Å; V16-Q19 PolarHBondContact O-N 2.88Å; V17-Q19 VanDerWaalsContact C-N 3.32Å; V17-Q19 PolarHBondContact O-N 3.37Å; Q19-G23 PolarHBondContact O-N 3.37Å; Q19-K135 PolarHBondContact NE2-O 3.31Å; Q19-V137 HydrophobicContact CB-CG2 3.57Å; Q19-V137 VanDerWaalsContact CD-CG2 3.43Å; Q19-V137 HydrophobicContact CG-CG2 3.4Å; Q19-V137 VanDerWaalsContact CG-CG2 3.4Å
20	I	77.3	Confident	81.1	Confident	91 Å²	91	75 Å²	75	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-50.4	177.7	-70.6	167.6	0	0	0	109.6	L12 V16 V17 A22 G23 E24	L12-I20 HydrophobicContact CD1-CD1 4.29Å; V16-I20 HydrophobicContact CG1-CD1 3.8Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.43Å; V16-I20 PolarHBondContact O-N 3.21Å; V17-I20 PolarHBondContact O-N 3.39Å; I20-A22 VanDerWaalsContact C-N 3.29Å; I20-A22 PolarHBondContact O-N 3.46Å; I20-G23 WeakPolarHBondContact O-CA 3.11Å; I20-G23 PolarHBondContact O-N 3.01Å; I20-E24 PolarHBondContact O-N 3.37Å
21	A	76.1	Confident	80.9	Confident	20 Å²	20	71.6 Å²	71.6	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-69.2	-28.5	-176.2	0	0	0	0	0	112.2	V17 G23 E24 V25	V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.17Å; A21-G23 PolarHBondContact O-N 3.39Å; A21-E24 PolarHBondContact O-N 2.92Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.68Å
22	A	73.5	Confident	80.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-36.6	169.3	0	0	0	0	0	112.5	D18 I20 E24 V25 I26 H110	D18-A22 VanDerWaalsContact O-CB 3.27Å; D18-A22 WeakPolarHBondContact O-CB 3.38Å; D18-A22 PolarHBondContact O-N 3.41Å; I20-A22 VanDerWaalsContact C-N 3.29Å; I20-A22 PolarHBondContact O-N 3.46Å; A22-E24 VanDerWaalsContact C-N 3.29Å; A22-E24 PolarHBondContact O-N 2.84Å; A22-V25 PolarHBondContact O-N 3Å; A22-I26 PolarHBondContact O-N 2.91Å; A22-H110 HydrophobicContact CB-CB 3.87Å
23	G	70.9	Confident	80.8	Confident	22 Å²	22	55.5 Å²	55.5	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-71.2	-20.4	177	0	0	0	0	0	114.7	Q19 I20 A21	Q19-G23 PolarHBondContact O-N 3.37Å; I20-G23 WeakPolarHBondContact O-CA 3.11Å; I20-G23 PolarHBondContact O-N 3.01Å; A21-G23 PolarHBondContact O-N 3.39Å
24	E	74.9	Confident	81	Confident	147 Å²	147	53.7 Å²	53.7	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-84.5	-29.7	174.4	-65.3	179.4	166.9	0	0	112.1	I20 A21 A22 I27	I20-E24 PolarHBondContact O-N 3.37Å; A21-E24 PolarHBondContact O-N 2.92Å; A22-E24 VanDerWaalsContact C-N 3.29Å; A22-E24 PolarHBondContact O-N 2.84Å; E24-I27 WeakPolarHBondContact O-CG2 3.45Å
25	V	73.9	Confident	81.3	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-80.8	-49.6	177.7	178.5	0	0	0	0	110.6	A21 A22 N31 S107	A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.68Å; A22-V25 PolarHBondContact O-N 3Å; V25-N31 PolarHBondContact O-ND2 3.49Å; V25-S107 WeakPolarHBondContact CB-OG 3.25Å
26	I	76.8	Confident	81.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.			trans	-105.7	88.6	179.9	-54.6	-60.7	0	0	0	109.9	A22 A32 E35 M108 L140 F142 L144	A22-I26 PolarHBondContact O-N 2.91Å; I26-A32 HydrophobicContact CG2-CB 3.92Å; I26-E35 HydrophobicContact CD1-CG 4.27Å; I26-M108 HydrophobicContact CD1-CE 3.65Å; I26-M108 HydrophobicContact CD1-CG 4Å; I26-M108 HydrophobicContact CG1-CG 3.87Å; I26-L140 WeakPolarHBondContact O-CD2 3.42Å; I26-F142 HydrophobicContact CG2-CE2 4.45Å; I26-F142 HydrophobicContact CG2-CZ 4.44Å; I26-F142 WeakPolarHBondContact O-CZ 3.4Å; I26-L144 HydrophobicContact CG2-CD1 4.23Å
27	I	80	Confident	82.5	Confident	110 Å²	110	44.1 Å²	44.1	56%	0.564	25%	0.247	S	C	*	.			trans	-90.5	-14	-176.4	62.8	170.1	0	0	0	114.5	E24 N31 F142	E24-I27 WeakPolarHBondContact O-CG2 3.45Å; I27-N31 HydrophobicContact CG1-CB 4.17Å; I27-F142 WeakPolarHBondContact O-CE1 3.39Å
28	S	85.4	Confident	82.9	Confident	39 Å²	39	42.5 Å²	42.5	27%	0.273	24%	0.235	S	C	.	.	S	Bend	trans	-157.1	159.3	177.6	70.7	0	0	0	0	111.4	A30 N31 A32	S28-A30 PolarHBondContact O-N 3.35Å; S28-A30 PolarHBondContact OG-N 3.19Å; S28-N31 PolarHBondContact O-N 3.43Å; S28-N31 VanDerWaalsContact O-N 3.08Å; S28-N31 PolarHBondContact OG-N 3.25Å; S28-A32 PolarHBondContact O-N 2.78Å; S28-A32 VanDerWaalsContact O-N 3.09Å
29	P	86.9	Confident	83.5	Confident	25 Å²	25	44.2 Å²	44.2	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-54.6	-37.6	169.7	-26.7	35.8	0	0	0	112.6	N31 A32 V33 L57 I60 F142 L144	P29-N31 PolarHBondContact O-N 3.18Å; P29-A32 WeakPolarHBondContact O-CB 3.33Å; P29-A32 PolarHBondContact O-N 3.31Å; P29-V33 WeakPolarHBondContact O-CG2 3.17Å; P29-V33 PolarHBondContact O-N 3.14Å; P29-L57 HydrophobicContact CG-CD2 4.24Å; P29-I60 HydrophobicContact CB-CD1 4.06Å; P29-F142 HydrophobicContact CG-CD2 3.8Å; P29-F142 HydrophobicContact CG-CE2 4.2Å; P29-F142 HydrophobicContact CG-CG 4.26Å; P29-L144 HydrophobicContact CB-CD2 4.12Å; P29-L144 HydrophobicContact CG-CD2 4.09Å
30	A	89.7	Confident	84.5	Confident	70 Å²	70	42.3 Å²	42.3	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-64	-39.6	176.4	0	0	0	0	0	112.1	S28 A32 V33 K34	S28-A30 PolarHBondContact O-N 3.35Å; S28-A30 PolarHBondContact OG-N 3.19Å; A30-A32 VanDerWaalsContact C-N 3.32Å; A30-A32 PolarHBondContact O-N 3.13Å; A30-V33 PolarHBondContact O-N 3.14Å; A30-K34 WeakPolarHBondContact O-CB 3.37Å; A30-K34 PolarHBondContact O-N 3.48Å
31	N	88	Confident	85.2	Confident	39 Å²	39	42.1 Å²	42.1	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-39.4	175.1	-158.3	24.8	0	0	0	111.2	V25 I27 S28 P29 V33 K34 E35	V25-N31 PolarHBondContact O-ND2 3.49Å; I27-N31 HydrophobicContact CG1-CB 4.17Å; S28-N31 PolarHBondContact O-N 3.43Å; S28-N31 VanDerWaalsContact O-N 3.08Å; S28-N31 PolarHBondContact OG-N 3.25Å; P29-N31 PolarHBondContact O-N 3.18Å; N31-V33 VanDerWaalsContact C-N 3.35Å; N31-V33 PolarHBondContact O-N 3.31Å; N31-K34 PolarHBondContact O-N 3.14Å; N31-E35 WeakPolarHBondContact O-CG 3.45Å; N31-E35 PolarHBondContact O-N 3.36Å
32	A	88.7	Confident	85.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.5	0	0	0	0	0	112.3	I26 S28 P29 A30 E35 L36 I60 M108 L144	I26-A32 HydrophobicContact CG2-CB 3.92Å; S28-A32 PolarHBondContact O-N 2.78Å; S28-A32 VanDerWaalsContact O-N 3.09Å; P29-A32 WeakPolarHBondContact O-CB 3.33Å; P29-A32 PolarHBondContact O-N 3.31Å; A30-A32 VanDerWaalsContact C-N 3.32Å; A30-A32 PolarHBondContact O-N 3.13Å; A32-E35 PolarHBondContact O-N 2.68Å; A32-L36 VanDerWaalsContact O-CG 3.29Å; A32-L36 WeakPolarHBondContact O-CG 3.14Å; A32-L36 PolarHBondContact O-N 3.41Å; A32-L36 VanDerWaalsContact O-N 3.08Å; A32-I60 HydrophobicContact CB-CD1 3.98Å; A32-M108 HydrophobicContact CB-CE 4.11Å; A32-M108 HydrophobicContact CB-SD 4.46Å; A32-M108 WeakPolarHBondContact O-CE 3.44Å; A32-L144 HydrophobicContact CB-CD1 3.96Å
33	V	91.7	Very high	86.7	Confident	18 Å²	18	44.4 Å²	44.4	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-46.9	174.9	174.4	0	0	0	0	111.2	P29 A30 N31 E35 L36 M37 V50 I52 I60	P29-V33 WeakPolarHBondContact O-CG2 3.17Å; P29-V33 PolarHBondContact O-N 3.14Å; A30-V33 PolarHBondContact O-N 3.14Å; N31-V33 VanDerWaalsContact C-N 3.35Å; N31-V33 PolarHBondContact O-N 3.31Å; V33-E35 PolarHBondContact O-N 2.79Å; V33-L36 PolarHBondContact O-N 3.44Å; V33-M37 HydrophobicContact CG1-CG 4.18Å; V33-M37 HydrophobicContact CG1-SD 3.75Å; V33-M37 VanDerWaalsContact O-CG 3.31Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 2.74Å; V33-V50 HydrophobicContact CG1-CG1 3.97Å; V33-I52 HydrophobicContact CG2-CD1 4.05Å; V33-I60 HydrophobicContact CG2-CD1 4.16Å; V33-I60 HydrophobicContact CG2-CG1 4.39Å; V33-I60 HydrophobicContact CG2-CG2 3.67Å
34	K	91.4	Very high	87.7	Confident	86 Å²	86	46.3 Å²	46.3	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-55.6	-50.4	178.7	175.3	-90.6	-169.3	-156.2	0	111.3	A30 N31 L36 M37 E38	A30-K34 WeakPolarHBondContact O-CB 3.37Å; A30-K34 PolarHBondContact O-N 3.48Å; N31-K34 PolarHBondContact O-N 3.14Å; K34-L36 PolarHBondContact O-N 3.25Å; K34-M37 PolarHBondContact O-N 2.73Å; K34-E38 VanDerWaalsContact CE-CD 3.46Å; K34-E38 WeakPolarHBondContact CE-OE1 3.14Å; K34-E38 IonicContact NZ-OE1 2.68Å; K34-E38 PolarHBondContact NZ-OE1 3.48Å; K34-E38 IonicContact NZ-OE2 3.81Å; K34-E38 PolarHBondContact NZ-OE2 3.2Å; K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.5Å
35	E	90.1	Very high	88.6	Confident	33 Å²	33	40.2 Å²	40.2	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-37.7	179.5	-66.6	-65.4	136.6	0	0	112.8	I26 N31 A32 V33 N39 A104 M108	I26-E35 HydrophobicContact CD1-CG 4.27Å; N31-E35 WeakPolarHBondContact O-CG 3.45Å; N31-E35 PolarHBondContact O-N 3.36Å; A32-E35 PolarHBondContact O-N 2.68Å; V33-E35 PolarHBondContact O-N 2.79Å; E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 VanDerWaalsContact O-N 3.11Å; E35-N39 PolarHBondContact O-ND2 2.98Å; E35-N39 VanDerWaalsContact O-ND2 3.16Å; E35-A104 HydrophobicContact CB-CB 3.97Å; E35-A104 HydrophobicContact CG-CB 4.28Å; E35-M108 HydrophobicContact CB-CE 3.73Å
36	L	91.7	Very high	89.7	Confident	3 Å²	3	44 Å²	44	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-42.9	175.5	-68.9	175.6	0	0	0	111.9	A32 V33 K34 E38 N39 S40 I60 V62 L105 M108 V147 I149	A32-L36 VanDerWaalsContact O-CG 3.29Å; A32-L36 WeakPolarHBondContact O-CG 3.14Å; A32-L36 PolarHBondContact O-N 3.41Å; A32-L36 VanDerWaalsContact O-N 3.08Å; V33-L36 PolarHBondContact O-N 3.44Å; K34-L36 PolarHBondContact O-N 3.25Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-E38 PolarHBondContact O-N 2.84Å; L36-N39 WeakPolarHBondContact O-CB 3.26Å; L36-N39 PolarHBondContact O-N 3.48Å; L36-S40 PolarHBondContact O-N 3.35Å; L36-S40 PolarHBondContact O-OG 2.94Å; L36-I60 HydrophobicContact CD1-CG2 4.13Å; L36-V62 HydrophobicContact CB-CB 4.13Å; L36-V62 HydrophobicContact CB-CG1 4.3Å; L36-V62 HydrophobicContact CB-CG2 3.72Å; L36-V62 HydrophobicContact CD1-CB 4.26Å; L36-V62 HydrophobicContact CD1-CG2 3.65Å; L36-V62 HydrophobicContact CG-CG2 4.34Å; L36-L105 HydrophobicContact CD2-CD2 3.81Å; L36-M108 HydrophobicContact CD1-SD 4.33Å; L36-M108 HydrophobicContact CD2-CE 4.12Å; L36-M108 HydrophobicContact CD2-SD 3.85Å; L36-M108 HydrophobicContact CG-CE 3.96Å; L36-M108 HydrophobicContact CG-SD 4.02Å; L36-V147 HydrophobicContact CD1-CG1 3.66Å; L36-I149 HydrophobicContact CD2-CD1 3.47Å; L36-I149 VanDerWaalsContact CD2-CD1 3.47Å; L36-I149 HydrophobicContact CD2-CG1 3.88Å
37	M	92.7	Very high	90.7	Very high	71 Å²	71	50 Å²	50	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-40.9	177.1	-72.3	179.1	64.2	0	0	111.9	V33 K34 N39 S40 I41 I48 V50	V33-M37 HydrophobicContact CG1-CG 4.18Å; V33-M37 HydrophobicContact CG1-SD 3.75Å; V33-M37 VanDerWaalsContact O-CG 3.31Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 2.74Å; K34-M37 PolarHBondContact O-N 2.73Å; M37-N39 VanDerWaalsContact C-N 3.32Å; M37-N39 PolarHBondContact O-N 2.86Å; M37-S40 WeakPolarHBondContact O-CB 3.43Å; M37-S40 PolarHBondContact O-N 3.31Å; M37-I41 WeakPolarHBondContact O-CG1 3.21Å; M37-I41 PolarHBondContact O-N 3.25Å; M37-I48 HydrophobicContact CG-CG2 4.5Å; M37-V50 HydrophobicContact CG-CG2 4.18Å; M37-V50 HydrophobicContact SD-CG2 4.18Å
38	E	91.6	Very high	91.5	Very high	33 Å²	33	47.2 Å²	47.2	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-40.2	175	-74.7	-176.9	168.9	0	0	112	K34 L36 S40 I41 D42 L98	K34-E38 VanDerWaalsContact CE-CD 3.46Å; K34-E38 WeakPolarHBondContact CE-OE1 3.14Å; K34-E38 IonicContact NZ-OE1 2.68Å; K34-E38 PolarHBondContact NZ-OE1 3.48Å; K34-E38 IonicContact NZ-OE2 3.81Å; K34-E38 PolarHBondContact NZ-OE2 3.2Å; K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.5Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-E38 PolarHBondContact O-N 2.84Å; E38-S40 PolarHBondContact O-N 3.26Å; E38-I41 PolarHBondContact O-N 3.27Å; E38-D42 WeakPolarHBondContact O-CB 3.47Å; E38-D42 VanDerWaalsContact O-CG 3.23Å; E38-D42 PolarHBondContact O-N 3.47Å; E38-L98 HydrophobicContact CB-CB 3.69Å; E38-L98 HydrophobicContact CB-CD1 4.16Å; E38-L98 HydrophobicContact CG-CB 3.71Å; E38-L98 HydrophobicContact CG-CD1 3.86Å; E38-L98 HydrophobicContact CG-CG 4.34Å
39	N	90.7	Very high	92	Very high	47 Å²	47	48 Å²	48	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-40.3	173.2	-73.6	-35.8	0	0	0	112.5	E35 L36 M37 D42 A43 K85	E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 VanDerWaalsContact O-N 3.11Å; E35-N39 PolarHBondContact O-ND2 2.98Å; E35-N39 VanDerWaalsContact O-ND2 3.16Å; L36-N39 WeakPolarHBondContact O-CB 3.26Å; L36-N39 PolarHBondContact O-N 3.48Å; M37-N39 VanDerWaalsContact C-N 3.32Å; M37-N39 PolarHBondContact O-N 2.86Å; N39-D42 PolarHBondContact O-N 2.94Å; N39-A43 WeakPolarHBondContact O-CB 3.37Å; N39-A43 PolarHBondContact O-N 2.81Å; N39-K85 PolarHBondContact OD1-NZ 3.44Å
40	S	92.2	Very high	92.4	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-41.1	175.1	-60.3	0	0	0	0	112	L36 M37 E38 A43 G44 A45 D64	L36-S40 PolarHBondContact O-N 3.35Å; L36-S40 PolarHBondContact O-OG 2.94Å; M37-S40 WeakPolarHBondContact O-CB 3.43Å; M37-S40 PolarHBondContact O-N 3.31Å; E38-S40 PolarHBondContact O-N 3.26Å; S40-A43 WeakPolarHBondContact O-CB 3.4Å; S40-A43 PolarHBondContact O-N 2.84Å; S40-G44 PolarHBondContact O-N 3.14Å; S40-A45 WeakPolarHBondContact O-CB 3.19Å; S40-A45 PolarHBondContact O-N 3.31Å; S40-D64 VanDerWaalsContact CB-OD2 3.28Å; S40-D64 WeakPolarHBondContact CB-OD2 3.37Å; S40-D64 WeakPolarHBondContact OG-CB 3.49Å; S40-D64 PolarHBondContact OG-OD2 3.46Å
41	I	92.7	Very high	92.7	Very high	87 Å²	87	49.4 Å²	49.4	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-45.8	175.6	-67.4	163.9	0	0	0	110.5	M37 E38 A43 G44 I48 L98	M37-I41 WeakPolarHBondContact O-CG1 3.21Å; M37-I41 PolarHBondContact O-N 3.25Å; E38-I41 PolarHBondContact O-N 3.27Å; I41-A43 PolarHBondContact O-N 3.11Å; I41-G44 WeakPolarHBondContact O-CA 3.06Å; I41-G44 PolarHBondContact O-N 2.8Å; I41-I48 HydrophobicContact CG1-CD1 3.87Å; I41-L98 HydrophobicContact CB-CD1 3.95Å; I41-L98 HydrophobicContact CD1-CD1 3.92Å; I41-L98 HydrophobicContact CG2-CD1 3.73Å
42	D	89.4	Confident	92.9	Very high	40 Å²	40	52 Å²	52	21%	0.214	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-25.9	177.1	-72	-25.1	0	0	0	112.1	E38 N39 G44 K85 T97 L98 G99	E38-D42 WeakPolarHBondContact O-CB 3.47Å; E38-D42 VanDerWaalsContact O-CG 3.23Å; E38-D42 PolarHBondContact O-N 3.47Å; N39-D42 PolarHBondContact O-N 2.94Å; D42-G44 PolarHBondContact O-N 3.26Å; D42-K85 IonicContact OD2-NZ 2.7Å; D42-K85 PolarHBondContact OD2-NZ 3.47Å; D42-T97 HydrophobicContact CB-CG2 4.48Å; D42-T97 VanDerWaalsContact OD1-CA 3.26Å; D42-T97 WeakPolarHBondContact OD1-CA 3.26Å; D42-T97 WeakPolarHBondContact OD1-CB 3.35Å; D42-L98 PolarHBondContact OD1-N 2.94Å; D42-L98 PolarHBondContact OD2-N 2.97Å; D42-L98 VanDerWaalsContact OD2-N 3.09Å; D42-G99 PolarHBondContact OD2-N 3.02Å; D42-G99 VanDerWaalsContact OD2-N 3.11Å
43	A	90.5	Very high	93	Very high	29 Å²	29	54.5 Å²	54.5	24%	0.24	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.5	171.9	0	0	0	0	0	113.7	N39 S40 I41 G66 C67	N39-A43 WeakPolarHBondContact O-CB 3.37Å; N39-A43 PolarHBondContact O-N 2.81Å; S40-A43 WeakPolarHBondContact O-CB 3.4Å; S40-A43 PolarHBondContact O-N 2.84Å; I41-A43 PolarHBondContact O-N 3.11Å; A43-G66 WeakPolarHBondContact O-CA 3.12Å; A43-C67 PolarHBondContact O-N 2.7Å; A43-C67 PolarHBondContact O-SG 2.86Å
44	G	92.8	Very high	93	Very high	61 Å²	61	58.6 Å²	58.6	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	21.4	179.4	0	0	0	0	0	114.3	S40 I41 D42 S46	S40-G44 PolarHBondContact O-N 3.14Å; I41-G44 WeakPolarHBondContact O-CA 3.06Å; I41-G44 PolarHBondContact O-N 2.8Å; D42-G44 PolarHBondContact O-N 3.26Å; G44-S46 PolarHBondContact O-N 3.45Å
45	A	94.8	Very high	92.8	Very high	19 Å²	19	59.4 Å²	59.4	16%	0.157	36%	0.359	C	S	.	.			trans	-63.2	134	179	0	0	0	0	0	111.8	S40 I48 D64 N65	S40-A45 WeakPolarHBondContact O-CB 3.19Å; S40-A45 PolarHBondContact O-N 3.31Å; A45-I48 HydrophobicContact CB-CD1 4.38Å; A45-I48 HydrophobicContact CB-CG1 3.92Å; A45-D64 HydrophobicContact CB-CB 3.75Å; A45-N65 WeakPolarHBondContact CA-OD1 3.29Å
46	S	96.4	Very high	92.5	Very high	111 Å²	111	57.9 Å²	57.9	78%	0.776	35%	0.352	S	S	*	.	S	Bend	trans	-96.7	-16.3	171	60.2	0	0	0	0	112.7	G44 N65	G44-S46 PolarHBondContact O-N 3.45Å; S46-N65 PolarHBondContact N-OD1 2.99Å; S46-N65 PolarHBondContact OG-ND2 3.3Å
47	Q	97.2	Very high	92.2	Very high	127 Å²	127	60.9 Å²	60.9	59%	0.593	37%	0.368	S	S	*	.			trans	-135.2	126.3	177.2	-171.4	176.3	18.9	0	0	109.4	D64 N65	Q47-D64 WeakPolarHBondContact O-CA 2.83Å; Q47-N65 PolarHBondContact N-OD1 2.82Å; Q47-N65 PolarHBondContact O-N 3Å; Q47-N65 PolarHBondContact O-OD1 3.23Å
48	I	96.2	Very high	91.9	Very high	50 Å²	50	65.4 Å²	65.4	26%	0.256	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.1	176.7	-54.8	169.2	0	0	0	107.4	M37 I41 A45 V50 V62 Q63 D64	M37-I48 HydrophobicContact CG-CG2 4.5Å; I41-I48 HydrophobicContact CG1-CD1 3.87Å; A45-I48 HydrophobicContact CB-CD1 4.38Å; A45-I48 HydrophobicContact CB-CG1 3.92Å; I48-V50 HydrophobicContact CG2-CG2 4.27Å; I48-V62 HydrophobicContact CG2-CG1 3.87Å; I48-Q63 CarbonylContact C-O 3.56Å; I48-Q63 WeakPolarHBondContact CA-O 3.44Å; I48-D64 HydrophobicContact CG1-CB 4.18Å
49	S	96.8	Very high	91.8	Very high	56 Å²	56	66.1 Å²	66.1	39%	0.392	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.1	175.9	-66.3	0	0	0	0	109.9	V62 Q63	S49-V62 WeakPolarHBondContact O-CA 2.92Å; S49-Q63 PolarHBondContact N-O 3.03Å; S49-Q63 PolarHBondContact O-N 3.03Å
50	V	95.5	Very high	91.8	Very high	56 Å²	56	63.9 Å²	63.9	34%	0.339	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.2	179.3	-176	0	0	0	0	109.1	V33 M37 I48 I52 K61 V62	V33-V50 HydrophobicContact CG1-CG1 3.97Å; M37-V50 HydrophobicContact CG-CG2 4.18Å; M37-V50 HydrophobicContact SD-CG2 4.18Å; I48-V50 HydrophobicContact CG2-CG2 4.27Å; V50-I52 HydrophobicContact CG1-CD1 4.16Å; V50-I52 HydrophobicContact CG1-CG1 3.95Å; V50-K61 CarbonylContact C-O 3.55Å; V50-K61 WeakPolarHBondContact CA-O 3.43Å; V50-V62 HydrophobicContact CG1-CG2 4.43Å; V50-V62 HydrophobicContact CG2-CG2 4.3Å
51	S	94.8	Very high	91.9	Very high	68 Å²	68	66.3 Å²	66.3	48%	0.476	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.3	174.7	-63.5	0	0	0	0	109.6	K61	S51-K61 PolarHBondContact N-O 3.09Å; S51-K61 PolarHBondContact O-N 3.23Å
52	I	93.2	Very high	92.1	Very high	94 Å²	94	62.2 Å²	62.2	48%	0.482	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.1	-176.5	-59.9	178	0	0	0	108.3	V33 V50	V33-I52 HydrophobicContact CG2-CD1 4.05Å; V50-I52 HydrophobicContact CG1-CD1 4.16Å; V50-I52 HydrophobicContact CG1-CG1 3.95Å
53	T	91.9	Very high	92.4	Very high	53 Å²	53	64.6 Å²	64.6	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.5	173.6	-54.2	0	0	0	0	109.8	S55 G56 R58 Q59	T53-S55 PolarHBondContact O-N 3.5Å; T53-G56 WeakPolarHBondContact O-CA 3.14Å; T53-G56 PolarHBondContact O-N 3.08Å; T53-R58 HydrophobicContact CG2-CB 4.17Å; T53-R58 HydrophobicContact CG2-CG 4.29Å; T53-R58 PolarHBondContact O-N 3.16Å; T53-Q59 PolarHBondContact N-O 2.9Å; T53-Q59 PolarHBondContact O-N 3.4Å
54	D	91.2	Very high	92.7	Very high	104 Å²	104	64.8 Å²	64.8	56%	0.556	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	53.3	53.5	176.6	-168.2	30.1	0	0	0	112.5	G56 L57 R58	D54-G56 PolarHBondContact O-N 3.04Å; D54-L57 WeakPolarHBondContact O-CB 3.29Å; D54-L57 WeakPolarHBondContact O-CG 3.45Å; D54-L57 PolarHBondContact O-N 3.5Å; D54-R58 HydrophobicContact CB-CB 3.68Å
55	S	87.6	Confident	92.8	Very high	102 Å²	102	65.5 Å²	65.5	71%	0.713	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	54.7	22	-176.3	-50.6	0	0	0	0	114.7	T53 L57	T53-S55 PolarHBondContact O-N 3.5Å; S55-L57 VanDerWaalsContact C-N 3.32Å
56	G	83.8	Confident	92.8	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.01	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	88	-4.9	-179.4	0	0	0	0	0	114	T53 D54 L144	T53-G56 WeakPolarHBondContact O-CA 3.14Å; T53-G56 PolarHBondContact O-N 3.08Å; D54-G56 PolarHBondContact O-N 3.04Å; G56-L144 WeakPolarHBondContact O-CD2 3.49Å
57	L	83.9	Confident	92.7	Very high	67 Å²	67	64.4 Å²	64.4	35%	0.351	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.9	177.5	-56.7	179.6	0	0	0	110.9	P29 D54 S55 F142 S145	P29-L57 HydrophobicContact CG-CD2 4.24Å; D54-L57 WeakPolarHBondContact O-CB 3.29Å; D54-L57 WeakPolarHBondContact O-CG 3.45Å; D54-L57 PolarHBondContact O-N 3.5Å; S55-L57 VanDerWaalsContact C-N 3.32Å; L57-F142 HydrophobicContact CD2-CB 3.39Å; L57-F142 HydrophobicContact CD2-CG 4.41Å; L57-S145 PolarHBondContact O-N 3.29Å; L57-S145 PolarHBondContact O-OG 2.7Å
58	R	86.2	Confident	92.5	Very high	166 Å²	166	59.4 Å²	59.4	63%	0.626	33%	0.334	S	S	*	.	S	Bend	trans	-83.2	-49.3	177.2	-174.7	173.2	175.5	-172.1	-0.4	112.4	T53 D54 S145 K146	T53-R58 HydrophobicContact CG2-CB 4.17Å; T53-R58 HydrophobicContact CG2-CG 4.29Å; T53-R58 PolarHBondContact O-N 3.16Å; D54-R58 HydrophobicContact CB-CB 3.68Å; R58-S145 VanDerWaalsContact O-CB 3.28Å; R58-S145 WeakPolarHBondContact O-CB 3.43Å; R58-K146 PolarHBondContact O-N 3.25Å
59	Q	89.8	Confident	92.3	Very high	47 Å²	47	59.1 Å²	59.1	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	136.8	-178.5	-170.2	174.2	30.9	0	0	112.1	T53 K146 E148	T53-Q59 PolarHBondContact N-O 2.9Å; T53-Q59 PolarHBondContact O-N 3.4Å; Q59-K146 WeakPolarHBondContact CA-O 3.39Å; Q59-K146 HydrophobicContact CG-CB 4.28Å; Q59-E148 PolarHBondContact NE2-OE1 2.88Å
60	I	91.9	Very high	92	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.7	162	-61.9	170.2	0	0	0	106.9	P29 A32 V33 L36 V62 L144 K146 V147 E148	P29-I60 HydrophobicContact CB-CD1 4.06Å; A32-I60 HydrophobicContact CB-CD1 3.98Å; V33-I60 HydrophobicContact CG2-CD1 4.16Å; V33-I60 HydrophobicContact CG2-CG1 4.39Å; V33-I60 HydrophobicContact CG2-CG2 3.67Å; L36-I60 HydrophobicContact CD1-CG2 4.13Å; I60-V62 HydrophobicContact CG2-CG2 4.34Å; I60-L144 HydrophobicContact CD1-CD1 4.31Å; I60-L144 HydrophobicContact CD1-CD2 3.59Å; I60-L144 HydrophobicContact CG1-CD2 4.39Å; I60-K146 PolarHBondContact N-O 3.05Å; I60-V147 CarbonylContact O-C 3.55Å; I60-V147 VanDerWaalsContact O-CA 3.25Å; I60-V147 WeakPolarHBondContact O-CA 3.36Å; I60-E148 PolarHBondContact O-N 3.39Å
61	K	94.1	Very high	91.8	Very high	54 Å²	54	62.5 Å²	62.5	24%	0.235	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.9	175.1	175.6	176.8	-177.3	173.7	0	109.2	V50 S51 E148 L150	V50-K61 CarbonylContact C-O 3.55Å; V50-K61 WeakPolarHBondContact CA-O 3.43Å; S51-K61 PolarHBondContact N-O 3.09Å; S51-K61 PolarHBondContact O-N 3.23Å; K61-E148 CarbonylContact C-O 3.59Å; K61-E148 WeakPolarHBondContact CA-O 3.47Å; K61-E148 HydrophobicContact CB-CB 4.13Å; K61-E148 HydrophobicContact CD-CB 4.39Å; K61-E148 WeakPolarHBondContact CD-OE2 3.29Å; K61-E148 HydrophobicContact CG-CB 3.88Å; K61-E148 IonicContact NZ-OE2 3.67Å; K61-L150 VanDerWaalsContact NZ-CD1 3.32Å
62	V	95.4	Very high	91.6	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.4	175.3	-179.1	0	0	0	0	107.3	L36 I48 S49 V50 I60 E148 I149 L150	L36-V62 HydrophobicContact CB-CB 4.13Å; L36-V62 HydrophobicContact CB-CG1 4.3Å; L36-V62 HydrophobicContact CB-CG2 3.72Å; L36-V62 HydrophobicContact CD1-CB 4.26Å; L36-V62 HydrophobicContact CD1-CG2 3.65Å; L36-V62 HydrophobicContact CG-CG2 4.34Å; I48-V62 HydrophobicContact CG2-CG1 3.87Å; S49-V62 WeakPolarHBondContact O-CA 2.92Å; V50-V62 HydrophobicContact CG1-CG2 4.43Å; V50-V62 HydrophobicContact CG2-CG2 4.3Å; I60-V62 HydrophobicContact CG2-CG2 4.34Å; V62-E148 PolarHBondContact N-O 2.9Å; V62-I149 CarbonylContact O-C 3.51Å; V62-I149 VanDerWaalsContact O-CA 3.27Å; V62-I149 WeakPolarHBondContact O-CA 3.44Å; V62-L150 PolarHBondContact O-N 3.37Å
63	Q	95.9	Very high	91.5	Very high	91 Å²	91	64 Å²	64	43%	0.425	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.2	176	176.6	172.5	-20.5	0	0	108.3	I48 S49 L150	I48-Q63 CarbonylContact C-O 3.56Å; I48-Q63 WeakPolarHBondContact CA-O 3.44Å; S49-Q63 PolarHBondContact N-O 3.03Å; S49-Q63 PolarHBondContact O-N 3.03Å; Q63-L150 WeakPolarHBondContact CA-O 3.38Å; Q63-L150 HydrophobicContact CB-CB 3.81Å; Q63-L150 HydrophobicContact CB-CD1 4.41Å; Q63-L150 HydrophobicContact CG-CB 3.65Å; Q63-L150 HydrophobicContact CG-CD1 4.38Å
64	D	96.6	Very high	91.3	Very high	33 Å²	33	61.6 Å²	61.6	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	171.1	177.4	71.6	70.1	0	0	0	112.7	S40 A45 Q47 I48 G66 L150	S40-D64 VanDerWaalsContact CB-OD2 3.28Å; S40-D64 WeakPolarHBondContact CB-OD2 3.37Å; S40-D64 WeakPolarHBondContact OG-CB 3.49Å; S40-D64 PolarHBondContact OG-OD2 3.46Å; A45-D64 HydrophobicContact CB-CB 3.75Å; Q47-D64 WeakPolarHBondContact O-CA 2.83Å; I48-D64 HydrophobicContact CG1-CB 4.18Å; D64-G66 WeakPolarHBondContact OD1-CA 3.37Å; D64-G66 PolarHBondContact OD1-N 2.78Å; D64-L150 PolarHBondContact N-O 3.26Å
65	N	95.8	Very high	91.1	Very high	76 Å²	76	60 Å²	60	41%	0.406	32%	0.318	S	S	.	.			trans	-115.7	29.9	175.5	69.8	-15.9	0	0	0	111.6	A45 S46 Q47	A45-N65 WeakPolarHBondContact CA-OD1 3.29Å; S46-N65 PolarHBondContact N-OD1 2.99Å; S46-N65 PolarHBondContact OG-ND2 3.3Å; Q47-N65 PolarHBondContact N-OD1 2.82Å; Q47-N65 PolarHBondContact O-N 3Å; Q47-N65 PolarHBondContact O-OD1 3.23Å
66	G	95	Very high	91.1	Very high	21 Å²	21	58.7 Å²	58.7	22%	0.216	30%	0.303	C	S	.	.	S	Bend	trans	-70.2	-169	176.6	0	0	0	0	0	112.8	A43 D64 G68	A43-G66 WeakPolarHBondContact O-CA 3.12Å; D64-G66 WeakPolarHBondContact OD1-CA 3.37Å; D64-G66 PolarHBondContact OD1-N 2.78Å; G66-G68 PolarHBondContact O-N 2.95Å
67	C	94	Very high	91.1	Very high	85 Å²	85	59.7 Å²	59.7	57%	0.574	31%	0.31	S	S	*	.	S	Bend	trans	-68.4	-16.9	-177.4	62.9	0	0	0	0	114.7	A43 T120	A43-C67 PolarHBondContact O-N 2.7Å; A43-C67 PolarHBondContact O-SG 2.86Å; C67-T120 WeakPolarHBondContact O-CA 3.33Å
68	G	93.2	Very high	91	Very high	22 Å²	22	57 Å²	57	23%	0.227	30%	0.296	C	S	.	.			trans	76.2	-179	-176.9	0	0	0	0	0	114.3	G66 S118	G66-G68 PolarHBondContact O-N 2.95Å; G68-S118 WeakPolarHBondContact CA-OG 3.48Å
69	I	92.3	Very high	90.6	Very high	45 Å²	45	54.2 Å²	54.2	23%	0.231	29%	0.29	C	S	.	.			trans	-116.7	133.9	-179.1	-54.1	174.1	0	0	0	108	D73 L74 I116 S118	I69-D73 HydrophobicContact CG2-CB 3.92Å; I69-L74 HydrophobicContact CB-CD2 4.03Å; I69-L74 HydrophobicContact CB-CG 4.43Å; I69-L74 HydrophobicContact CD1-CD2 4.3Å; I69-L74 HydrophobicContact CG2-CD2 3.93Å; I69-L74 HydrophobicContact CG2-CG 4.04Å; I69-I116 HydrophobicContact CD1-CG2 4.05Å; I69-S118 PolarHBondContact N-OG 2.98Å
70	R	90.8	Very high	89.8	Confident	131 Å²	131	54.1 Å²	54.1	49%	0.494	29%	0.288	S	S	.	.			trans	-66.4	151.4	176.6	-63.6	178.9	177.1	-176.8	-0.8	110.9	E72 D73 L74 T120	R70-E72 VanDerWaalsContact C-N 3.28Å; R70-E72 HydrophobicContact CB-CG 4.26Å; R70-E72 PolarHBondContact O-N 3.35Å; R70-D73 HydrophobicContact CB-CB 4.34Å; R70-D73 PolarHBondContact O-N 3.32Å; R70-L74 PolarHBondContact O-N 3.08Å; R70-L74 VanDerWaalsContact O-N 3.12Å; R70-T120 HydrophobicContact CG-CG2 4.02Å
71	C	90.6	Very high	89	Confident	51 Å²	51	61.2 Å²	61.2	35%	0.345	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.8	-179.9	-175.2	0	0	0	0	112.1	D73 L74 Y127	C71-D73 PolarHBondContact O-N 3.02Å; C71-L74 PolarHBondContact O-N 2.83Å; C71-Y127 HydrophobicContact CB-CD1 4.1Å; C71-Y127 HydrophobicContact CB-CD2 3.67Å; C71-Y127 HydrophobicContact CB-CE1 4.1Å; C71-Y127 HydrophobicContact CB-CE2 3.67Å; C71-Y127 HydrophobicContact CB-CG 3.87Å; C71-Y127 WeakPolarHBondContact SG-CD1 3.41Å; C71-Y127 VanDerWaalsContact SG-CE1 3.56Å
72	E	91	Very high	88.3	Confident	125 Å²	125	60 Å²	60	58%	0.584	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.9	178.5	59.2	-95.8	-154.1	0	0	113.8	R70	R70-E72 VanDerWaalsContact C-N 3.28Å; R70-E72 HydrophobicContact CB-CG 4.26Å; R70-E72 PolarHBondContact O-N 3.35Å
73	D	90.7	Very high	87.6	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.3	-177.1	-66.8	-35.8	0	0	0	112.7	I69 R70 C71 L76 S77	I69-D73 HydrophobicContact CG2-CB 3.92Å; R70-D73 HydrophobicContact CB-CB 4.34Å; R70-D73 PolarHBondContact O-N 3.32Å; C71-D73 PolarHBondContact O-N 3.02Å; D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 2.9Å; D73-S77 PolarHBondContact O-N 2.68Å
74	L	87.6	Confident	86.8	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-48.3	-179.6	-83	171.8	0	0	0	112.9	I69 R70 C71 L76 S77 I116 C129 F131	I69-L74 HydrophobicContact CB-CD2 4.03Å; I69-L74 HydrophobicContact CB-CG 4.43Å; I69-L74 HydrophobicContact CD1-CD2 4.3Å; I69-L74 HydrophobicContact CG2-CD2 3.93Å; I69-L74 HydrophobicContact CG2-CG 4.04Å; R70-L74 PolarHBondContact O-N 3.08Å; R70-L74 VanDerWaalsContact O-N 3.12Å; C71-L74 PolarHBondContact O-N 2.83Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.09Å; L74-S77 WeakPolarHBondContact O-CB 3.48Å; L74-S77 PolarHBondContact O-N 3.2Å; L74-S77 PolarHBondContact O-OG 3.48Å; L74-I116 HydrophobicContact CD2-CB 4.16Å; L74-I116 HydrophobicContact CD2-CG2 3.55Å; L74-C129 HydrophobicContact CB-CB 4.09Å; L74-C129 HydrophobicContact CD1-CB 4.5Å; L74-F131 WeakPolarHBondContact O-CZ 3.5Å
75	P	87	Confident	85.7	Confident	69 Å²	69	63.2 Å²	63.2	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.6	176.5	-23.6	35	0	0	0	113	S77	P75-S77 VanDerWaalsContact C-N 3.32Å; P75-S77 PolarHBondContact O-N 3.11Å
76	L	86.5	Confident	84.8	Confident	75 Å²	75	61.4 Å²	61.4	39%	0.393	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-71.7	-25.8	-178.4	-65	176.1	0	0	0	112.7	D73 L74 C78 E79 A82	D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 2.9Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.09Å; L76-C78 PolarHBondContact O-N 3.23Å; L76-E79 WeakPolarHBondContact O-CB 3.46Å; L76-E79 PolarHBondContact O-N 3.5Å; L76-A82 HydrophobicContact CB-CB 4.48Å; L76-A82 WeakPolarHBondContact O-CB 3.44Å
77	S	84	Confident	84	Confident	23 Å²	23	69 Å²	69	16%	0.161	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.5	-22.6	-176.7	71.4	0	0	0	0	114.5	D73 L74 P75 L105 I116	D73-S77 PolarHBondContact O-N 2.68Å; L74-S77 WeakPolarHBondContact O-CB 3.48Å; L74-S77 PolarHBondContact O-N 3.2Å; L74-S77 PolarHBondContact O-OG 3.48Å; P75-S77 VanDerWaalsContact C-N 3.32Å; P75-S77 PolarHBondContact O-N 3.11Å; S77-L105 VanDerWaalsContact O-CB 3.27Å; S77-L105 WeakPolarHBondContact O-CB 3.44Å; S77-I116 WeakPolarHBondContact OG-CD1 3.49Å
78	C	82.1	Confident	83.3	Confident	9 Å²	9	71.5 Å²	71.5	6%	0.061	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-105.7	1.4	177.3	-72.4	0	0	0	0	113.7	L76 S106 L114 F131	L76-C78 PolarHBondContact O-N 3.23Å; C78-S106 VanDerWaalsContact O-CA 3.29Å; C78-S106 WeakPolarHBondContact O-CA 3.27Å; C78-S106 WeakPolarHBondContact O-CB 3.47Å; C78-S106 PolarHBondContact O-OG 3.31Å; C78-L114 WeakPolarHBondContact SG-CD2 3.46Å; C78-F131 HydrophobicContact CB-CD1 3.58Å; C78-F131 HydrophobicContact CB-CD2 4.36Å; C78-F131 HydrophobicContact CB-CE1 3.39Å; C78-F131 HydrophobicContact CB-CE2 4.21Å; C78-F131 HydrophobicContact CB-CG 4.07Å; C78-F131 HydrophobicContact CB-CZ 3.73Å; C78-F131 WeakPolarHBondContact SG-CD2 3.41Å; C78-F131 WeakPolarHBondContact SG-CE2 3.48Å; C78-F131 WeakPolarHBondContact SG-CZ 3.36Å
79	E	78.9	Confident	82.4	Confident	109 Å²	109	78.4 Å²	78.4	51%	0.509	38%	0.383	S	S	.	.	S	Bend	trans	-76.3	141.1	170.2	-68.1	-168.2	-168.6	0	0	110.2	L76 F81 A82	L76-E79 WeakPolarHBondContact O-CB 3.46Å; L76-E79 PolarHBondContact O-N 3.5Å; E79-F81 PolarHBondContact O-N 2.97Å; E79-A82 HydrophobicContact CB-CB 4.08Å; E79-A82 PolarHBondContact O-N 3.48Å
80	R	72.3	Confident	81.8	Confident	44 Å²	44	81.7 Å²	81.7	17%	0.166	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	138.9	174.7	-75.6	-171.1	142.7	-164.8	-20.2	109.8	D18 A82 S106	D18-R80 WeakPolarHBondContact OD1-CD 3.48Å; D18-R80 IonicContact OD1-CZ 3.61Å; D18-R80 IonicContact OD1-NE 3.69Å; D18-R80 IonicContact OD1-NH1 2.84Å; D18-R80 PolarHBondContact OD1-NH1 3.16Å; R80-A82 PolarHBondContact O-N 3.28Å; R80-S106 WeakPolarHBondContact CG-OG 3.3Å; R80-S106 PolarHBondContact N-OG 2.86Å
81	F	75.4	Confident	81.1	Confident	150 Å²	150	78.2 Å²	78.2	66%	0.658	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	15.1	176.7	-40.2	-60.8	0	0	0	114.1	E79 G102 E103	E79-F81 PolarHBondContact O-N 2.97Å; F81-G102 PolarHBondContact N-O 3.12Å; F81-E103 HydrophobicContact CE1-CG 4.49Å; F81-E103 VanDerWaalsContact CE1-OE1 3.32Å; F81-E103 WeakPolarHBondContact CE1-OE1 3.07Å
82	A	78.3	Confident	80.2	Confident	29 Å²	29	78.9 Å²	78.9	24%	0.24	39%	0.388	C	S	.	.			trans	-93	119	169.5	0	0	0	0	0	109.4	L76 E79 R80 G102	L76-A82 HydrophobicContact CB-CB 4.48Å; L76-A82 WeakPolarHBondContact O-CB 3.44Å; E79-A82 HydrophobicContact CB-CB 4.08Å; E79-A82 PolarHBondContact O-N 3.48Å; R80-A82 PolarHBondContact O-N 3.28Å; A82-G102 WeakPolarHBondContact O-CA 3.48Å
83	T	80.9	Confident	79.3	Confident	38 Å²	38	80.1 Å²	80.1	23%	0.233	40%	0.398	C	S	.	.			trans	-147.8	147	-179.9	-178.7	0	0	0	0	110.6	K85 L86 R87	T83-K85 PolarHBondContact OG1-N 2.9Å; T83-K85 VanDerWaalsContact OG1-N 3.14Å; T83-L86 HydrophobicContact CG2-CB 4.02Å; T83-R87 PolarHBondContact O-NH1 3.42Å
84	S	78.9	Confident	78.3	Confident	98 Å²	98	82.9 Å²	82.9	69%	0.685	41%	0.413	S	S	*	.	S	Bend	trans	-86.7	-9.7	170.1	54.9	0	0	0	0	113
85	K	75.1	Confident	77.5	Confident	56 Å²	56	84.9 Å²	84.9	24%	0.243	42%	0.423	C	S	.	.	S	Bend	trans	-98	-11.4	-165.3	-56.4	167.6	-174.3	178.6	0	114	N39 D42 T83 T97 G99	N39-K85 PolarHBondContact OD1-NZ 3.44Å; D42-K85 IonicContact OD2-NZ 2.7Å; D42-K85 PolarHBondContact OD2-NZ 3.47Å; T83-K85 PolarHBondContact OG1-N 2.9Å; T83-K85 VanDerWaalsContact OG1-N 3.14Å; K85-T97 HydrophobicContact CB-CG2 4.47Å; K85-T97 HydrophobicContact CD-CG2 4.1Å; K85-T97 HydrophobicContact CG-CG2 4.19Å; K85-G99 WeakPolarHBondContact CD-O 3.31Å; K85-G99 WeakPolarHBondContact CE-O 3.48Å; K85-G99 PolarHBondContact NZ-O 3.47Å
86	L	77	Confident	76.6	Confident	37 Å²	37	87.7 Å²	87.7	19%	0.194	44%	0.443	C	S	.	.			trans	-137.9	140.1	177.2	-140	94.8	0	0	0	110.1	T83 K88 D91 L92 I95	T83-L86 HydrophobicContact CG2-CB 4.02Å; L86-K88 WeakPolarHBondContact CD2-O 3.34Å; L86-D91 HydrophobicContact CD1-CB 3.84Å; L86-D91 HydrophobicContact CG-CB 3.88Å; L86-L92 HydrophobicContact CD1-CD2 4.39Å; L86-L92 HydrophobicContact CD1-CG 4.2Å; L86-L92 HydrophobicContact CD2-CG 4.1Å; L86-I95 HydrophobicContact CD1-CD1 3.4Å; L86-I95 HydrophobicContact CD1-CG1 3.72Å
87	R	78.2	Confident	76	Confident	181 Å²	181	86.2 Å²	86.2	68%	0.683	44%	0.437	S	S	*	.	S	Bend	trans	-124.5	-33.2	172.3	-68.3	-71.9	176.5	-97.9	7.9	111.8	T83 D91	T83-R87 PolarHBondContact O-NH1 3.42Å; R87-D91 WeakPolarHBondContact CA-OD2 3.3Å; R87-D91 PolarHBondContact N-OD2 3.07Å
88	K	79.2	Confident	75.4	Confident	138 Å²	138	89.2 Å²	89.2	60%	0.6	45%	0.451	S	S	*	.	S	Bend	trans	-136.6	163.9	-179.8	-55.7	-178.3	-179.8	176.9	0	111.1	L86 E90 D91	L86-K88 WeakPolarHBondContact CD2-O 3.34Å; K88-E90 WeakPolarHBondContact CB-OE2 3.26Å; K88-E90 PolarHBondContact O-N 2.96Å; K88-D91 PolarHBondContact N-OD2 2.65Å; K88-D91 WeakPolarHBondContact O-CB 3.49Å; K88-D91 PolarHBondContact O-N 3.23Å
89	F	74.6	Confident	74.7	Confident	166 Å²	166	89.5 Å²	89.5	73%	0.728	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-61.6	-33.5	179.5	-170.1	-94.1	0	0	0	111.7	D91 L92	F89-D91 PolarHBondContact O-N 3.08Å; F89-L92 HydrophobicContact CD1-CD1 4.46Å; F89-L92 HydrophobicContact CD2-CD1 3.5Å; F89-L92 VanDerWaalsContact CD2-CD1 3.5Å; F89-L92 HydrophobicContact CE1-CD1 4.47Å; F89-L92 HydrophobicContact CE2-CD1 3.51Å; F89-L92 HydrophobicContact CG-CD1 4Å; F89-L92 HydrophobicContact CZ-CD1 4.03Å; F89-L92 VanDerWaalsContact O-CB 3.26Å; F89-L92 WeakPolarHBondContact O-CB 3.37Å; F89-L92 WeakPolarHBondContact O-CD1 3.21Å; F89-L92 PolarHBondContact O-N 3.24Å; F89-L92 VanDerWaalsContact O-N 3.14Å
90	E	78.9	Confident	74.1	Confident	115 Å²	115	87.7 Å²	87.7	54%	0.537	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.2	179.7	-56.6	81.6	-162.7	0	0	113.1	K88 L92 L93	K88-E90 WeakPolarHBondContact CB-OE2 3.26Å; K88-E90 PolarHBondContact O-N 2.96Å; E90-L92 PolarHBondContact O-N 3.33Å; E90-L93 WeakPolarHBondContact O-CB 3.28Å; E90-L93 PolarHBondContact O-N 3.49Å; E90-L93 VanDerWaalsContact O-N 3.13Å
91	D	75.7	Confident	73.8	Confident	57 Å²	57	93.6 Å²	93.6	31%	0.305	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-63.2	-24	177.6	-58.8	-27.2	0	0	0	111.3	L86 R87 K88 F89 L93 N94 I95	L86-D91 HydrophobicContact CD1-CB 3.84Å; L86-D91 HydrophobicContact CG-CB 3.88Å; R87-D91 WeakPolarHBondContact CA-OD2 3.3Å; R87-D91 PolarHBondContact N-OD2 3.07Å; K88-D91 PolarHBondContact N-OD2 2.65Å; K88-D91 WeakPolarHBondContact O-CB 3.49Å; K88-D91 PolarHBondContact O-N 3.23Å; F89-D91 PolarHBondContact O-N 3.08Å; D91-L93 PolarHBondContact O-N 3Å; D91-L93 VanDerWaalsContact O-N 3.14Å; D91-N94 CarbonylContact O-C 3.56Å; D91-N94 PolarHBondContact O-N 2.92Å; D91-I95 WeakPolarHBondContact O-CG1 3.39Å; D91-I95 PolarHBondContact O-N 3.39Å
92	L	72.8	Confident	73.8	Confident	66 Å²	66	87.4 Å²	87.4	35%	0.346	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-55.6	-30.5	175.2	-77.8	155.9	0	0	0	112.5	L86 F89 E90 N94 I95 F100	L86-L92 HydrophobicContact CD1-CD2 4.39Å; L86-L92 HydrophobicContact CD1-CG 4.2Å; L86-L92 HydrophobicContact CD2-CG 4.1Å; F89-L92 HydrophobicContact CD1-CD1 4.46Å; F89-L92 HydrophobicContact CD2-CD1 3.5Å; F89-L92 VanDerWaalsContact CD2-CD1 3.5Å; F89-L92 HydrophobicContact CE1-CD1 4.47Å; F89-L92 HydrophobicContact CE2-CD1 3.51Å; F89-L92 HydrophobicContact CG-CD1 4Å; F89-L92 HydrophobicContact CZ-CD1 4.03Å; F89-L92 VanDerWaalsContact O-CB 3.26Å; F89-L92 WeakPolarHBondContact O-CB 3.37Å; F89-L92 WeakPolarHBondContact O-CD1 3.21Å; F89-L92 PolarHBondContact O-N 3.24Å; F89-L92 VanDerWaalsContact O-N 3.14Å; E90-L92 PolarHBondContact O-N 3.33Å; L92-N94 PolarHBondContact O-N 2.95Å; L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 HydrophobicContact CG-CD1 4.41Å; L92-F100 HydrophobicContact CD2-CD2 4.16Å; L92-F100 HydrophobicContact CD2-CE2 3.93Å
93	L	70.9	Confident	74	Confident	150 Å²	150	87.8 Å²	87.8	79%	0.785	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-73.5	-18.7	179.7	-60.9	173.9	0	0	0	112.7	E90 D91	E90-L93 WeakPolarHBondContact O-CB 3.28Å; E90-L93 PolarHBondContact O-N 3.49Å; E90-L93 VanDerWaalsContact O-N 3.13Å; D91-L93 PolarHBondContact O-N 3Å; D91-L93 VanDerWaalsContact O-N 3.14Å
94	N	70.1	Confident	74.2	Confident	126 Å²	126	86.5 Å²	86.5	67%	0.674	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-119	15.7	-174.5	-61.1	-51.5	0	0	0	112.7	D91 L92 C96	D91-N94 CarbonylContact O-C 3.56Å; D91-N94 PolarHBondContact O-N 2.92Å; L92-N94 PolarHBondContact O-N 2.95Å; N94-C96 PolarHBondContact O-N 3.48Å; N94-C96 VanDerWaalsContact O-N 3.08Å
95	I	70.4	Confident	74.6	Confident	46 Å²	46	82.9 Å²	82.9	24%	0.236	41%	0.41	C	S	.	.			trans	-66	114.1	179.4	-71.6	177.5	0	0	0	109.7	L86 D91 L92 T97 F100	L86-I95 HydrophobicContact CD1-CD1 3.4Å; L86-I95 HydrophobicContact CD1-CG1 3.72Å; D91-I95 WeakPolarHBondContact O-CG1 3.39Å; D91-I95 PolarHBondContact O-N 3.39Å; L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 HydrophobicContact CG-CD1 4.41Å; I95-T97 VanDerWaalsContact CG2-O 3.29Å; I95-T97 WeakPolarHBondContact CG2-O 3.38Å; I95-F100 HydrophobicContact CD1-CB 3.65Å; I95-F100 HydrophobicContact CD1-CD1 3.84Å; I95-F100 HydrophobicContact CD1-CD2 3.87Å; I95-F100 HydrophobicContact CD1-CE1 4.45Å; I95-F100 HydrophobicContact CD1-CE2 4.47Å; I95-F100 HydrophobicContact CD1-CG 3.51Å; I95-F100 HydrophobicContact CG2-CD1 4.19Å
96	C	68.7	Low	75.1	Confident	129 Å²	129	80.2 Å²	80.2	87%	0.872	40%	0.398	S	S	*	.			trans	-107.4	16.3	167.9	-61.8	0	0	0	0	112.2	N94	N94-C96 PolarHBondContact O-N 3.48Å; N94-C96 VanDerWaalsContact O-N 3.08Å
97	T	73.7	Confident	75.4	Confident	43 Å²	43	78.5 Å²	78.5	26%	0.264	39%	0.389	S	S	.	.	S	Bend	trans	-105.9	151.8	178.6	57.2	0	0	0	0	110.9	D42 K85 I95	D42-T97 HydrophobicContact CB-CG2 4.48Å; D42-T97 VanDerWaalsContact OD1-CA 3.26Å; D42-T97 WeakPolarHBondContact OD1-CA 3.26Å; D42-T97 WeakPolarHBondContact OD1-CB 3.35Å; K85-T97 HydrophobicContact CB-CG2 4.47Å; K85-T97 HydrophobicContact CD-CG2 4.1Å; K85-T97 HydrophobicContact CG-CG2 4.19Å; I95-T97 VanDerWaalsContact CG2-O 3.29Å; I95-T97 WeakPolarHBondContact CG2-O 3.38Å
98	L	71.3	Confident	75.8	Confident	87 Å²	87	69.9 Å²	69.9	46%	0.455	36%	0.357	S	S	.	.	S	Bend	trans	-77.6	-33.6	-175	-66	169.6	0	0	0	112.1	E38 I41 D42	E38-L98 HydrophobicContact CB-CB 3.69Å; E38-L98 HydrophobicContact CB-CD1 4.16Å; E38-L98 HydrophobicContact CG-CB 3.71Å; E38-L98 HydrophobicContact CG-CD1 3.86Å; E38-L98 HydrophobicContact CG-CG 4.34Å; I41-L98 HydrophobicContact CB-CD1 3.95Å; I41-L98 HydrophobicContact CD1-CD1 3.92Å; I41-L98 HydrophobicContact CG2-CD1 3.73Å; D42-L98 PolarHBondContact OD1-N 2.94Å; D42-L98 PolarHBondContact OD2-N 2.97Å; D42-L98 VanDerWaalsContact OD2-N 3.09Å
99	G	68.2	Low	76.1	Confident	15 Å²	15	63.9 Å²	63.9	16%	0.155	33%	0.332	C	S	.	.			trans	-126.1	129.6	175	0	0	0	0	0	112.5	D42 K85	D42-G99 PolarHBondContact OD2-N 3.02Å; D42-G99 VanDerWaalsContact OD2-N 3.11Å; K85-G99 WeakPolarHBondContact CD-O 3.31Å; K85-G99 WeakPolarHBondContact CE-O 3.48Å; K85-G99 PolarHBondContact NZ-O 3.47Å
100	F	65.1	Low	76.4	Confident	71 Å²	71	58.2 Å²	58.2	31%	0.311	31%	0.308	S	S	.	.			trans	-129.2	-13.1	-176.3	57.6	-91.7	0	0	0	115.3	L92 I95 G102	L92-F100 HydrophobicContact CD2-CD2 4.16Å; L92-F100 HydrophobicContact CD2-CE2 3.93Å; I95-F100 HydrophobicContact CD1-CB 3.65Å; I95-F100 HydrophobicContact CD1-CD1 3.84Å; I95-F100 HydrophobicContact CD1-CD2 3.87Å; I95-F100 HydrophobicContact CD1-CE1 4.45Å; I95-F100 HydrophobicContact CD1-CE2 4.47Å; I95-F100 HydrophobicContact CD1-CG 3.51Å; I95-F100 HydrophobicContact CG2-CD1 4.19Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 3.46Å
101	R	67	Low	76.3	Confident	168 Å²	168	53.3 Å²	53.3	63%	0.634	29%	0.287	S	S	*	.	S	Bend	trans	-74.1	-18.8	-171.5	-62.9	-174.2	177.9	-157.1	0.2	114.4	E103	R101-E103 VanDerWaalsContact C-N 3.27Å; R101-E103 HydrophobicContact CB-CB 4.24Å; R101-E103 HydrophobicContact CB-CG 3.96Å; R101-E103 PolarHBondContact O-N 3.36Å
102	G	75.1	Confident	76.5	Confident	20 Å²	20	50.7 Å²	50.7	21%	0.206	27%	0.274	C	S	.	.	S	Bend	trans	65	32.9	-173	0	0	0	0	0	112.3	F81 A82 F100	F81-G102 PolarHBondContact N-O 3.12Å; A82-G102 WeakPolarHBondContact O-CA 3.48Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 3.46Å
103	E	81.6	Confident	77.1	Confident	37 Å²	37	55.4 Å²	55.4	17%	0.173	29%	0.287	C	S	.	.			trans	-114.9	-21.1	-174.6	-70.6	-171.8	157.4	0	0	113.7	F81 R101 S107	F81-E103 HydrophobicContact CE1-CG 4.49Å; F81-E103 VanDerWaalsContact CE1-OE1 3.32Å; F81-E103 WeakPolarHBondContact CE1-OE1 3.07Å; R101-E103 VanDerWaalsContact C-N 3.27Å; R101-E103 HydrophobicContact CB-CB 4.24Å; R101-E103 HydrophobicContact CB-CG 3.96Å; R101-E103 PolarHBondContact O-N 3.36Å; E103-S107 WeakPolarHBondContact O-CB 3.29Å; E103-S107 PolarHBondContact O-N 3.04Å; E103-S107 PolarHBondContact O-OG 2.92Å
104	A	85.1	Confident	78	Confident	11 Å²	11	48.5 Å²	48.5	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-60.1	-172.3	0	0	0	0	0	112.4	E35 S106 S107 M108	E35-A104 HydrophobicContact CB-CB 3.97Å; E35-A104 HydrophobicContact CG-CB 4.28Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.31Å; A104-S107 PolarHBondContact O-N 2.88Å; A104-S107 VanDerWaalsContact O-N 3.16Å; A104-M108 HydrophobicContact CB-CE 4.34Å; A104-M108 WeakPolarHBondContact O-CG 3.43Å; A104-M108 PolarHBondContact O-N 2.77Å
105	L	88.2	Confident	78.9	Confident	21 Å²	21	42.6 Å²	42.6	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-38.9	179.6	-66.2	-179.9	0	0	0	112	L36 S77 S107 M108 S109 L114 I116 I149	L36-L105 HydrophobicContact CD2-CD2 3.81Å; S77-L105 VanDerWaalsContact O-CB 3.27Å; S77-L105 WeakPolarHBondContact O-CB 3.44Å; L105-S107 PolarHBondContact O-N 3.35Å; L105-M108 PolarHBondContact O-N 3.43Å; L105-S109 WeakPolarHBondContact O-CB 3.45Å; L105-S109 PolarHBondContact O-N 3.25Å; L105-L114 HydrophobicContact CB-CD2 4.49Å; L105-L114 HydrophobicContact CD2-CD2 4.4Å; L105-I116 HydrophobicContact CD1-CD1 4.05Å; L105-I116 HydrophobicContact CD2-CD1 4.46Å; L105-I149 HydrophobicContact CD2-CD1 3.4Å
106	S	85.6	Confident	80	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-45	173.7	-164.8	0	0	0	0	111.8	C78 R80 A104 M108 S109 H110	C78-S106 VanDerWaalsContact O-CA 3.29Å; C78-S106 WeakPolarHBondContact O-CA 3.27Å; C78-S106 WeakPolarHBondContact O-CB 3.47Å; C78-S106 PolarHBondContact O-OG 3.31Å; R80-S106 WeakPolarHBondContact CG-OG 3.3Å; R80-S106 PolarHBondContact N-OG 2.86Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.31Å; S106-M108 PolarHBondContact O-N 2.68Å; S106-S109 PolarHBondContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; S106-H110 PolarHBondContact O-N 2.78Å; S106-H110 PolarHBondContact O-ND1 2.95Å
107	S	83.9	Confident	81.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-40.1	178.1	-59.6	0	0	0	0	111.5	V25 E103 A104 L105 S109 H110 A111	V25-S107 WeakPolarHBondContact CB-OG 3.25Å; E103-S107 WeakPolarHBondContact O-CB 3.29Å; E103-S107 PolarHBondContact O-N 3.04Å; E103-S107 PolarHBondContact O-OG 2.92Å; A104-S107 PolarHBondContact O-N 2.88Å; A104-S107 VanDerWaalsContact O-N 3.16Å; L105-S107 PolarHBondContact O-N 3.35Å; S107-S109 PolarHBondContact O-N 3.24Å; S107-H110 PolarHBondContact O-N 3.44Å; S107-A111 PolarHBondContact O-N 3.4Å
108	M	85.8	Confident	82.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-40.4	174.1	-68.1	178	-155.4	0	0	112.1	I26 A32 E35 L36 A104 L105 S106 H110 A111 A112 L114 V147	I26-M108 HydrophobicContact CD1-CE 3.65Å; I26-M108 HydrophobicContact CD1-CG 4Å; I26-M108 HydrophobicContact CG1-CG 3.87Å; A32-M108 HydrophobicContact CB-CE 4.11Å; A32-M108 HydrophobicContact CB-SD 4.46Å; A32-M108 WeakPolarHBondContact O-CE 3.44Å; E35-M108 HydrophobicContact CB-CE 3.73Å; L36-M108 HydrophobicContact CD1-SD 4.33Å; L36-M108 HydrophobicContact CD2-CE 4.12Å; L36-M108 HydrophobicContact CD2-SD 3.85Å; L36-M108 HydrophobicContact CG-CE 3.96Å; L36-M108 HydrophobicContact CG-SD 4.02Å; A104-M108 HydrophobicContact CB-CE 4.34Å; A104-M108 WeakPolarHBondContact O-CG 3.43Å; A104-M108 PolarHBondContact O-N 2.77Å; L105-M108 PolarHBondContact O-N 3.43Å; S106-M108 PolarHBondContact O-N 2.68Å; M108-H110 PolarHBondContact O-N 2.88Å; M108-A111 PolarHBondContact O-N 2.92Å; M108-A111 VanDerWaalsContact O-N 3.12Å; M108-A112 WeakPolarHBondContact O-CA 3.34Å; M108-A112 VanDerWaalsContact O-CB 3.3Å; M108-A112 WeakPolarHBondContact O-CB 3.49Å; M108-A112 PolarHBondContact O-N 3.42Å; M108-L114 HydrophobicContact CB-CD2 4.39Å; M108-V147 HydrophobicContact SD-CG1 4.44Å
109	S	85	Confident	83.3	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-21	-179.9	77.8	0	0	0	0	113.5	L105 S106 S107 V133	L105-S109 WeakPolarHBondContact O-CB 3.45Å; L105-S109 PolarHBondContact O-N 3.25Å; S106-S109 PolarHBondContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; S107-S109 PolarHBondContact O-N 3.24Å; S109-V133 WeakPolarHBondContact O-CG2 3.31Å
110	H	80.7	Confident	84.5	Confident	46 Å²	46	39.8 Å²	39.8	21%	0.213	18%	0.176	C	C	.	.	H	α-helix	trans	-87.5	-22.3	172.6	-70	87.8	0	0	0	113.2	A22 S106 S107 M108 V133	A22-H110 HydrophobicContact CB-CB 3.87Å; S106-H110 PolarHBondContact O-N 2.78Å; S106-H110 PolarHBondContact O-ND1 2.95Å; S107-H110 PolarHBondContact O-N 3.44Å; M108-H110 PolarHBondContact O-N 2.88Å; H110-V133 VanDerWaalsContact O-CG1 3.29Å; H110-V133 WeakPolarHBondContact O-CG1 3.35Å
111	A	78.2	Confident	85.9	Confident	13 Å²	13	41.1 Å²	41.1	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-99.4	-20.4	-178.4	0	0	0	0	0	113.7	S107 M108 L140	S107-A111 PolarHBondContact O-N 3.4Å; M108-A111 PolarHBondContact O-N 2.92Å; M108-A111 VanDerWaalsContact O-N 3.12Å; A111-L140 HydrophobicContact CB-CD1 3.67Å
112	A	80.2	Confident	87.1	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.2	-167.2	0	0	0	0	0	112.2	M108 L114 V133 L144 V147	M108-A112 WeakPolarHBondContact O-CA 3.34Å; M108-A112 VanDerWaalsContact O-CB 3.3Å; M108-A112 WeakPolarHBondContact O-CB 3.49Å; M108-A112 PolarHBondContact O-N 3.42Å; A112-L114 PolarHBondContact O-N 3.21Å; A112-V133 VanDerWaalsContact C-CG2 3.43Å; A112-V133 WeakPolarHBondContact O-CG2 3.23Å; A112-L144 VanDerWaalsContact CA-O 3.26Å; A112-L144 WeakPolarHBondContact CA-O 3.42Å; A112-L144 HydrophobicContact CB-CB 3.56Å; A112-L144 WeakPolarHBondContact CB-O 3.39Å; A112-V147 HydrophobicContact CB-CG2 4.11Å
113	R	85.3	Confident	87.9	Confident	165 Å²	165	38.9 Å²	38.9	62%	0.623	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.1	159.9	-65.4	179.5	177.6	134.3	-2.5	108.1	K146 V147	R113-K146 CarbonylContact O-C 3.53Å; R113-K146 VanDerWaalsContact O-CA 3.3Å; R113-K146 WeakPolarHBondContact O-CA 3.34Å; R113-V147 PolarHBondContact O-N 3.07Å
114	L	88.2	Confident	88.5	Confident	4 Å²	4	43 Å²	43	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	-178.4	172.5	64.6	0	0	0	109.1	C78 L105 M108 A112 I116 F131 V147 I149	C78-L114 WeakPolarHBondContact SG-CD2 3.46Å; L105-L114 HydrophobicContact CB-CD2 4.49Å; L105-L114 HydrophobicContact CD2-CD2 4.4Å; M108-L114 HydrophobicContact CB-CD2 4.39Å; A112-L114 PolarHBondContact O-N 3.21Å; L114-I116 HydrophobicContact CD1-CG1 4.15Å; L114-I116 HydrophobicContact CD2-CD1 4.17Å; L114-I116 HydrophobicContact CD2-CG1 4.33Å; L114-I116 HydrophobicContact CG-CD1 4.41Å; L114-I116 HydrophobicContact CG-CG1 4.02Å; L114-F131 HydrophobicContact CB-CB 4.26Å; L114-F131 HydrophobicContact CB-CD2 4.47Å; L114-F131 HydrophobicContact CD2-CD2 4.24Å; L114-F131 HydrophobicContact CG-CD2 4.19Å; L114-F131 PolarHBondContact N-O 3Å; L114-F131 PolarHBondContact O-N 2.63Å; L114-V147 HydrophobicContact CD1-CB 3.58Å; L114-V147 HydrophobicContact CD1-CG1 3.46Å; L114-V147 VanDerWaalsContact CD1-CG1 3.46Å; L114-I149 HydrophobicContact CD1-CD1 4.43Å
115	S	90.9	Very high	88.9	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.7	166.8	-162.2	0	0	0	0	109.3	E128 C129 H130 V147 E148 I149	S115-E128 PolarHBondContact OG-OE1 2.83Å; S115-C129 WeakPolarHBondContact CA-O 3.16Å; S115-H130 PolarHBondContact OG-CE1 2.75Å; S115-H130 PolarHBondContact OG-ND1 2.81Å; S115-V147 PolarHBondContact N-O 2.67Å; S115-E148 VanDerWaalsContact O-CA 3.31Å; S115-E148 WeakPolarHBondContact O-CA 3.04Å; S115-I149 PolarHBondContact O-N 2.92Å
116	I	93.1	Very high	89.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.1	175.5	-53.6	-176.7	0	0	0	107	I69 L74 S77 L105 L114 E128 C129 F131 I149	I69-I116 HydrophobicContact CD1-CG2 4.05Å; L74-I116 HydrophobicContact CD2-CB 4.16Å; L74-I116 HydrophobicContact CD2-CG2 3.55Å; S77-I116 WeakPolarHBondContact OG-CD1 3.49Å; L105-I116 HydrophobicContact CD1-CD1 4.05Å; L105-I116 HydrophobicContact CD2-CD1 4.46Å; L114-I116 HydrophobicContact CD1-CG1 4.15Å; L114-I116 HydrophobicContact CD2-CD1 4.17Å; L114-I116 HydrophobicContact CD2-CG1 4.33Å; L114-I116 HydrophobicContact CG-CD1 4.41Å; L114-I116 HydrophobicContact CG-CG1 4.02Å; I116-E128 CarbonylContact O-C 3.59Å; I116-E128 VanDerWaalsContact O-CA 3.29Å; I116-E128 WeakPolarHBondContact O-CA 3.15Å; I116-C129 PolarHBondContact N-O 2.87Å; I116-C129 PolarHBondContact O-N 3.03Å; I116-F131 HydrophobicContact CD1-CD2 4.47Å; I116-F131 HydrophobicContact CD1-CE2 3.84Å; I116-F131 HydrophobicContact CG1-CE2 4.1Å; I116-I149 HydrophobicContact CD1-CD1 4.24Å; I116-I149 HydrophobicContact CG1-CD1 4.03Å; I116-I149 HydrophobicContact CG1-CG1 4.47Å; I116-I149 HydrophobicContact CG2-CB 4.18Å
117	R	93.7	Very high	89.4	Confident	97 Å²	97	52.3 Å²	52.3	37%	0.366	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.7	164.4	-50.9	-164.6	175.9	131.5	3.9	108.3	Y127 E128 I149 L150	R117-Y127 CarbonylContact C-O 3.58Å; R117-Y127 VanDerWaalsContact CA-O 3.23Å; R117-Y127 WeakPolarHBondContact CA-O 3.47Å; R117-E128 HydrophobicContact CG-CB 3.93Å; R117-E128 HydrophobicContact CG-CG 3.8Å; R117-E128 IonicContact CZ-OE1 3.29Å; R117-E128 VanDerWaalsContact CZ-OE1 3.29Å; R117-E128 IonicContact CZ-OE2 3.35Å; R117-E128 IonicContact NE-OE1 2.9Å; R117-E128 PolarHBondContact NE-OE1 2.9Å; R117-E128 IonicContact NE-OE2 2.79Å; R117-E128 PolarHBondContact NE-OE2 2.96Å; R117-E128 IonicContact NH2-OE1 2.91Å; R117-E128 PolarHBondContact NH2-OE1 3.47Å; R117-E128 IonicContact NH2-OE2 3.04Å; R117-E128 PolarHBondContact NH2-OE2 3.48Å; R117-I149 WeakPolarHBondContact CA-O 3.4Å; R117-I149 PolarHBondContact N-O 3Å; R117-L150 HydrophobicContact CB-CD2 3.64Å; R117-L150 VanDerWaalsContact CD-CD2 3.42Å; R117-L150 HydrophobicContact CG-CD2 3.61Å
118	S	94	Very high	89.8	Confident	13 Å²	13	56 Å²	56	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.8	174.7	-152.8	0	0	0	0	111.7	G68 I69 G126 Y127	G68-S118 WeakPolarHBondContact CA-OG 3.48Å; I69-S118 PolarHBondContact N-OG 2.98Å; S118-G126 WeakPolarHBondContact O-CA 3.49Å; S118-Y127 PolarHBondContact N-O 2.91Å; S118-Y127 PolarHBondContact O-N 2.79Å
119	R	94.1	Very high	90	Very high	134 Å²	134	57.2 Å²	57.2	51%	0.506	31%	0.305	S	S	.	.			trans	-144.1	124.4	174.5	-173.1	-179.8	75.2	82.4	4.3	109.1	S123 I125	R119-S123 PolarHBondContact NH1-O 2.87Å; R119-I125 WeakPolarHBondContact CG-O 3.4Å
120	T	94.7	Very high	90.1	Very high	17 Å²	17	62.3 Å²	62.3	10%	0.104	33%	0.327	C	S	.	.			trans	-81.8	157.6	171.2	56.9	0	0	0	0	111	C67 R70 D122 S123	C67-T120 WeakPolarHBondContact O-CA 3.33Å; R70-T120 HydrophobicContact CG-CG2 4.02Å; T120-D122 WeakPolarHBondContact CB-OD1 3.28Å; T120-D122 PolarHBondContact O-N 2.87Å; T120-D122 PolarHBondContact OG1-OD1 2.81Å; T120-S123 PolarHBondContact O-N 2.93Å; T120-S123 WeakPolarHBondContact OG1-CB 3.47Å
121	A	93.2	Very high	90.3	Very high	99 Å²	99	61.8 Å²	61.8	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-31.2	-177.2	0	0	0	0	0	113.5	S123	A121-S123 VanDerWaalsContact C-N 3.35Å
122	D	93.3	Very high	90.2	Very high	127 Å²	127	65.7 Å²	65.7	68%	0.679	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.3	177.6	60.9	-22.3	0	0	0	113.7	T120	T120-D122 WeakPolarHBondContact CB-OD1 3.28Å; T120-D122 PolarHBondContact O-N 2.87Å; T120-D122 PolarHBondContact OG1-OD1 2.81Å
123	S	92.2	Very high	89.7	Confident	14 Å²	14	67.2 Å²	67.2	10%	0.098	36%	0.356	C	S	.	.			trans	-95.4	127.7	177.8	-175.1	0	0	0	0	112.1	R119 T120 A121 I125	R119-S123 PolarHBondContact NH1-O 2.87Å; T120-S123 PolarHBondContact O-N 2.93Å; T120-S123 WeakPolarHBondContact OG1-CB 3.47Å; A121-S123 VanDerWaalsContact C-N 3.35Å; S123-I125 PolarHBondContact O-N 2.61Å; S123-I125 PolarHBondContact OG-N 3.21Å; S123-I125 PolarHBondContact OG-O 3.04Å
124	P	92.9	Very high	88.4	Confident	122 Å²	122	67.4 Å²	67.4	79%	0.792	37%	0.368	S	S	*	.	S	Bend	trans	-71.3	-18.7	175.6	30.2	-35	0	0	0	112.8
125	I	93.9	Very high	86.6	Confident	93 Å²	93	74.8 Å²	74.8	48%	0.477	40%	0.4	S	S	.	.	S	Bend	trans	-128.2	150.1	-178.1	61.3	170.9	0	0	0	111.3	R119 S123 Y127	R119-I125 WeakPolarHBondContact CG-O 3.4Å; S123-I125 PolarHBondContact O-N 2.61Å; S123-I125 PolarHBondContact OG-N 3.21Å; S123-I125 PolarHBondContact OG-O 3.04Å; I125-Y127 HydrophobicContact CD1-CE1 3.88Å; I125-Y127 HydrophobicContact CD1-CE2 4.46Å; I125-Y127 HydrophobicContact CG1-CE1 4.31Å; I125-Y127 HydrophobicContact CG1-CE2 4Å
126	G	91.8	Very high	84.5	Confident	48 Å²	48	77.8 Å²	77.8	50%	0.495	42%	0.424	S	S	.	.			trans	-86.1	153.5	168.6	0	0	0	0	0	111.4	S118	S118-G126 WeakPolarHBondContact O-CA 3.49Å
127	Y	92.6	Very high	82.3	Confident	88 Å²	88	79.1 Å²	79.1	35%	0.345	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.6	177.2	-63	-85.9	0	0	0	110	C71 R117 S118 I125	C71-Y127 HydrophobicContact CB-CD1 4.1Å; C71-Y127 HydrophobicContact CB-CD2 3.67Å; C71-Y127 HydrophobicContact CB-CE1 4.1Å; C71-Y127 HydrophobicContact CB-CE2 3.67Å; C71-Y127 HydrophobicContact CB-CG 3.87Å; C71-Y127 WeakPolarHBondContact SG-CD1 3.41Å; C71-Y127 VanDerWaalsContact SG-CE1 3.56Å; R117-Y127 CarbonylContact C-O 3.58Å; R117-Y127 VanDerWaalsContact CA-O 3.23Å; R117-Y127 WeakPolarHBondContact CA-O 3.47Å; S118-Y127 PolarHBondContact N-O 2.91Å; S118-Y127 PolarHBondContact O-N 2.79Å; I125-Y127 HydrophobicContact CD1-CE1 3.88Å; I125-Y127 HydrophobicContact CD1-CE2 4.46Å; I125-Y127 HydrophobicContact CG1-CE1 4.31Å; I125-Y127 HydrophobicContact CG1-CE2 4Å
128	E	92.2	Very high	80.1	Confident	77 Å²	77	84.4 Å²	84.4	36%	0.36	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.8	175.3	179.1	164.9	-151	0	0	109.8	S115 I116 R117 H130	S115-E128 PolarHBondContact OG-OE1 2.83Å; I116-E128 CarbonylContact O-C 3.59Å; I116-E128 VanDerWaalsContact O-CA 3.29Å; I116-E128 WeakPolarHBondContact O-CA 3.15Å; R117-E128 HydrophobicContact CG-CB 3.93Å; R117-E128 HydrophobicContact CG-CG 3.8Å; R117-E128 IonicContact CZ-OE1 3.29Å; R117-E128 VanDerWaalsContact CZ-OE1 3.29Å; R117-E128 IonicContact CZ-OE2 3.35Å; R117-E128 IonicContact NE-OE1 2.9Å; R117-E128 PolarHBondContact NE-OE1 2.9Å; R117-E128 IonicContact NE-OE2 2.79Å; R117-E128 PolarHBondContact NE-OE2 2.96Å; R117-E128 IonicContact NH2-OE1 2.91Å; R117-E128 PolarHBondContact NH2-OE1 3.47Å; R117-E128 IonicContact NH2-OE2 3.04Å; R117-E128 PolarHBondContact NH2-OE2 3.48Å; E128-H130 VanDerWaalsContact CD-NE2 3.28Å; E128-H130 IonicContact OE1-CE1 3.83Å; E128-H130 PolarHBondContact OE1-CE1 3.25Å; E128-H130 IonicContact OE1-ND1 3.44Å; E128-H130 IonicContact OE1-NE2 2.68Å; E128-H130 PolarHBondContact OE1-NE2 2.83Å; E128-H130 IonicContact OE2-NE2 2.86Å
129	C	89.3	Confident	77.9	Confident	27 Å²	27	93.1 Å²	93.1	18%	0.182	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.7	173.1	-163.4	0	0	0	0	109.9	L74 S115 I116 F131	L74-C129 HydrophobicContact CB-CB 4.09Å; L74-C129 HydrophobicContact CD1-CB 4.5Å; S115-C129 WeakPolarHBondContact CA-O 3.16Å; I116-C129 PolarHBondContact N-O 2.87Å; I116-C129 PolarHBondContact O-N 3.03Å; C129-F131 HydrophobicContact CB-CE2 3.9Å; C129-F131 HydrophobicContact CB-CZ 4.09Å; C129-F131 WeakPolarHBondContact SG-CZ 3.27Å
130	H	88.4	Confident	75.8	Confident	120 Å²	120	87.8 Å²	87.8	56%	0.556	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.1	-179.6	-64.3	-74.4	0	0	0	110.8	S115 E128	S115-H130 PolarHBondContact OG-CE1 2.75Å; S115-H130 PolarHBondContact OG-ND1 2.81Å; E128-H130 VanDerWaalsContact CD-NE2 3.28Å; E128-H130 IonicContact OE1-CE1 3.83Å; E128-H130 PolarHBondContact OE1-CE1 3.25Å; E128-H130 IonicContact OE1-ND1 3.44Å; E128-H130 IonicContact OE1-NE2 2.68Å; E128-H130 PolarHBondContact OE1-NE2 2.83Å; E128-H130 IonicContact OE2-NE2 2.86Å
131	F	84.9	Confident	73.5	Confident	34 Å²	34	99.3 Å²	99.3	15%	0.149	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.9	176	-54.5	-89.2	0	0	0	109	L74 C78 L114 I116 C129	L74-F131 WeakPolarHBondContact O-CZ 3.5Å; C78-F131 HydrophobicContact CB-CD1 3.58Å; C78-F131 HydrophobicContact CB-CD2 4.36Å; C78-F131 HydrophobicContact CB-CE1 3.39Å; C78-F131 HydrophobicContact CB-CE2 4.21Å; C78-F131 HydrophobicContact CB-CG 4.07Å; C78-F131 HydrophobicContact CB-CZ 3.73Å; C78-F131 WeakPolarHBondContact SG-CD2 3.41Å; C78-F131 WeakPolarHBondContact SG-CE2 3.48Å; C78-F131 WeakPolarHBondContact SG-CZ 3.36Å; L114-F131 HydrophobicContact CB-CB 4.26Å; L114-F131 HydrophobicContact CB-CD2 4.47Å; L114-F131 HydrophobicContact CD2-CD2 4.24Å; L114-F131 HydrophobicContact CG-CD2 4.19Å; L114-F131 PolarHBondContact N-O 3Å; L114-F131 PolarHBondContact O-N 2.63Å; I116-F131 HydrophobicContact CD1-CD2 4.47Å; I116-F131 HydrophobicContact CD1-CE2 3.84Å; I116-F131 HydrophobicContact CG1-CE2 4.1Å; C129-F131 HydrophobicContact CB-CE2 3.9Å; C129-F131 HydrophobicContact CB-CZ 4.09Å; C129-F131 WeakPolarHBondContact SG-CZ 3.27Å
132	T	75.3	Confident	71.4	Confident	96 Å²	96	95.9 Å²	95.9	59%	0.589	49%	0.485	S	S	*	.			trans	-111.3	129.1	-177.8	-51.8	0	0	0	0	109.8	I134	T132-I134 PolarHBondContact O-N 3.31Å
133	V	70	Confident	69.5	Low	33 Å²	33	93.5 Å²	93.5	20%	0.2	48%	0.475	C	S	.	.			trans	-68.4	120.5	171.7	-165.2	0	0	0	0	109.2	S109 H110 A112 K135	S109-V133 WeakPolarHBondContact O-CG2 3.31Å; H110-V133 VanDerWaalsContact O-CG1 3.29Å; H110-V133 WeakPolarHBondContact O-CG1 3.35Å; A112-V133 VanDerWaalsContact C-CG2 3.43Å; A112-V133 WeakPolarHBondContact O-CG2 3.23Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 VanDerWaalsContact CG1-C 3.45Å; V133-K135 WeakPolarHBondContact CG1-O 3.29Å
134	I	57.3	Low	67.8	Low	170 Å²	170	93 Å²	93	87%	0.872	47%	0.471	S	S	*	.	S	Bend	trans	-75.9	-22.4	178.8	-52	177.1	0	0	0	110.9	T132	T132-I134 PolarHBondContact O-N 3.31Å
135	K	51.1	Low	66.3	Low	159 Å²	159	89.9 Å²	89.9	69%	0.691	45%	0.452	S	S	*	.	S	Bend	trans	-149.8	114.6	171.8	-85.4	179.9	176	172.5	0	111.5	Q19 V133	Q19-K135 PolarHBondContact NE2-O 3.31Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 VanDerWaalsContact CG1-C 3.45Å; V133-K135 WeakPolarHBondContact CG1-O 3.29Å
136	A	46.3	Very low	65	Low	65 Å²	65	89.5 Å²	89.5	54%	0.537	45%	0.447	S	S	.	.			trans	-63.6	132.2	174.6	0	0	0	0	0	110.9
137	V	46.7	Very low	63.9	Low	29 Å²	29	87.2 Å²	87.2	18%	0.176	42%	0.423	C	S	.	.			trans	-87.7	113.1	178.9	-170.4	0	0	0	0	108.7	Q19 F139	Q19-V137 HydrophobicContact CB-CG2 3.57Å; Q19-V137 VanDerWaalsContact CD-CG2 3.43Å; Q19-V137 HydrophobicContact CG-CG2 3.4Å; Q19-V137 VanDerWaalsContact CG-CG2 3.4Å; V137-F139 HydrophobicContact CG1-CB 3.9Å; V137-F139 PolarHBondContact O-N 2.98Å; V137-F139 VanDerWaalsContact O-N 3.14Å
138	F	48.8	Very low	62.6	Low	207 Å²	207	83.7 Å²	83.7	91%	0.908	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	1.4	176.6	-91.9	-87.7	0	0	0	114.5
139	F	47.5	Very low	61.6	Low	197 Å²	197	81 Å²	81	86%	0.864	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-19.6	-178.8	-148.6	-96.6	0	0	0	113.4	V137 R141	V137-F139 HydrophobicContact CG1-CB 3.9Å; V137-F139 PolarHBondContact O-N 2.98Å; V137-F139 VanDerWaalsContact O-N 3.14Å; F139-R141 PolarHBondContact O-N 2.88Å
140	L	48.5	Very low	60.6	Low	22 Å²	22	82.2 Å²	82.2	12%	0.115	40%	0.402	C	S	.	.	S	Bend	trans	-77.4	123.8	171.8	-81.4	156	0	0	0	108.8	I26 A111 F142	I26-L140 WeakPolarHBondContact O-CD2 3.42Å; A111-L140 HydrophobicContact CB-CD1 3.67Å; L140-F142 WeakPolarHBondContact CB-O 2.97Å; L140-F142 HydrophobicContact CD2-CE1 3.88Å; L140-F142 HydrophobicContact CD2-CZ 3.88Å; L140-F142 PolarHBondContact O-N 2.79Å
141	R	48.4	Very low	59.2	Low	258 Å²	258	80.3 Å²	80.3	97%	0.974	40%	0.395	S	S	*	.	S	Bend	trans	-60.1	-5.3	176.5	-103	-177.5	177.1	-165.9	-0.5	113.9	F139	F139-R141 PolarHBondContact O-N 2.88Å
142	F	48.7	Very low	57.8	Low	27 Å²	27	82.7 Å²	82.7	12%	0.118	41%	0.407	C	S	.	.	S	Bend	trans	-146.4	135.7	178.4	59.3	-76.3	0	0	0	108.6	I26 I27 P29 L57 L140 L144	I26-F142 HydrophobicContact CG2-CE2 4.45Å; I26-F142 HydrophobicContact CG2-CZ 4.44Å; I26-F142 WeakPolarHBondContact O-CZ 3.4Å; I27-F142 WeakPolarHBondContact O-CE1 3.39Å; P29-F142 HydrophobicContact CG-CD2 3.8Å; P29-F142 HydrophobicContact CG-CE2 4.2Å; P29-F142 HydrophobicContact CG-CG 4.26Å; L57-F142 HydrophobicContact CD2-CB 3.39Å; L57-F142 HydrophobicContact CD2-CG 4.41Å; L140-F142 WeakPolarHBondContact CB-O 2.97Å; L140-F142 HydrophobicContact CD2-CE1 3.88Å; L140-F142 HydrophobicContact CD2-CZ 3.88Å; L140-F142 PolarHBondContact O-N 2.79Å; F142-L144 HydrophobicContact CD2-CD2 4Å; F142-L144 HydrophobicContact CD2-CG 3.94Å; F142-L144 HydrophobicContact CE2-CD1 4.24Å; F142-L144 HydrophobicContact CE2-CD2 4.2Å; F142-L144 HydrophobicContact CE2-CG 3.92Å
143	V	51.9	Low	56.9	Low	78 Å²	78	82 Å²	82	47%	0.473	40%	0.397	S	S	.	.			trans	-102.6	114.2	170.2	178.9	0	0	0	0	106.5	S145	V143-S145 PolarHBondContact O-N 2.57Å
144	L	56.6	Low	56.1	Low	3 Å²	3	84.9 Å²	84.9	2%	0.016	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	113	171.9	-67.9	176.8	0	0	0	107.6	I26 P29 A32 G56 I60 A112 F142 V147	I26-L144 HydrophobicContact CG2-CD1 4.23Å; P29-L144 HydrophobicContact CB-CD2 4.12Å; P29-L144 HydrophobicContact CG-CD2 4.09Å; A32-L144 HydrophobicContact CB-CD1 3.96Å; G56-L144 WeakPolarHBondContact O-CD2 3.49Å; I60-L144 HydrophobicContact CD1-CD1 4.31Å; I60-L144 HydrophobicContact CD1-CD2 3.59Å; I60-L144 HydrophobicContact CG1-CD2 4.39Å; A112-L144 VanDerWaalsContact CA-O 3.26Å; A112-L144 WeakPolarHBondContact CA-O 3.42Å; A112-L144 HydrophobicContact CB-CB 3.56Å; A112-L144 WeakPolarHBondContact CB-O 3.39Å; F142-L144 HydrophobicContact CD2-CD2 4Å; F142-L144 HydrophobicContact CD2-CG 3.94Å; F142-L144 HydrophobicContact CE2-CD1 4.24Å; F142-L144 HydrophobicContact CE2-CD2 4.2Å; F142-L144 HydrophobicContact CE2-CG 3.92Å; L144-V147 HydrophobicContact CB-CG2 4.5Å; L144-V147 HydrophobicContact CD1-CG2 4.31Å
145	S	62.1	Low	56	Low	57 Å²	57	79.6 Å²	79.6	40%	0.399	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-33.6	-171.7	-43.6	0	0	0	0	112.4	L57 R58 V143	L57-S145 PolarHBondContact O-N 3.29Å; L57-S145 PolarHBondContact O-OG 2.7Å; R58-S145 VanDerWaalsContact O-CB 3.28Å; R58-S145 WeakPolarHBondContact O-CB 3.43Å; V143-S145 PolarHBondContact O-N 2.57Å
146	K	67.3	Low	56.3	Low	84 Å²	84	74.3 Å²	74.3	37%	0.365	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	128.9	178.3	-163.4	177.5	-168.6	-168.4	0	111.8	R58 Q59 I60 R113 E148	R58-K146 PolarHBondContact O-N 3.25Å; Q59-K146 WeakPolarHBondContact CA-O 3.39Å; Q59-K146 HydrophobicContact CG-CB 4.28Å; I60-K146 PolarHBondContact N-O 3.05Å; R113-K146 CarbonylContact O-C 3.53Å; R113-K146 VanDerWaalsContact O-CA 3.3Å; R113-K146 WeakPolarHBondContact O-CA 3.34Å; K146-E148 HydrophobicContact CD-CG 4.41Å; K146-E148 WeakPolarHBondContact CE-OE1 3.44Å; K146-E148 HydrophobicContact CG-CG 4.44Å; K146-E148 IonicContact NZ-OE1 2.61Å; K146-E148 PolarHBondContact NZ-OE1 3.2Å
147	V	67.9	Low	57.1	Low	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.2	168	-179	0	0	0	0	108.4	L36 I60 M108 A112 R113 L114 S115 L144	L36-V147 HydrophobicContact CD1-CG1 3.66Å; I60-V147 CarbonylContact O-C 3.55Å; I60-V147 VanDerWaalsContact O-CA 3.25Å; I60-V147 WeakPolarHBondContact O-CA 3.36Å; M108-V147 HydrophobicContact SD-CG1 4.44Å; A112-V147 HydrophobicContact CB-CG2 4.11Å; R113-V147 PolarHBondContact O-N 3.07Å; L114-V147 HydrophobicContact CD1-CB 3.58Å; L114-V147 HydrophobicContact CD1-CG1 3.46Å; L114-V147 VanDerWaalsContact CD1-CG1 3.46Å; S115-V147 PolarHBondContact N-O 2.67Å; L144-V147 HydrophobicContact CB-CG2 4.5Å; L144-V147 HydrophobicContact CD1-CG2 4.31Å
148	E	64.9	Low	57.9	Low	14 Å²	14	78.5 Å²	78.5	7%	0.065	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	175.6	-79.7	179.6	-162.1	0	0	110.5	Q59 I60 K61 V62 S115 K146	Q59-E148 PolarHBondContact NE2-OE1 2.88Å; I60-E148 PolarHBondContact O-N 3.39Å; K61-E148 CarbonylContact C-O 3.59Å; K61-E148 WeakPolarHBondContact CA-O 3.47Å; K61-E148 HydrophobicContact CB-CB 4.13Å; K61-E148 HydrophobicContact CD-CB 4.39Å; K61-E148 WeakPolarHBondContact CD-OE2 3.29Å; K61-E148 HydrophobicContact CG-CB 3.88Å; K61-E148 IonicContact NZ-OE2 3.67Å; V62-E148 PolarHBondContact N-O 2.9Å; S115-E148 VanDerWaalsContact O-CA 3.31Å; S115-E148 WeakPolarHBondContact O-CA 3.04Å; K146-E148 HydrophobicContact CD-CG 4.41Å; K146-E148 WeakPolarHBondContact CE-OE1 3.44Å; K146-E148 HydrophobicContact CG-CG 4.44Å; K146-E148 IonicContact NZ-OE1 2.61Å; K146-E148 PolarHBondContact NZ-OE1 3.2Å
149	I	72.2	Confident	58.6	Low	20 Å²	20	67.8 Å²	67.8	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.5	168.4	-52.1	178	0	0	0	107	L36 V62 L105 L114 S115 I116 R117	L36-I149 HydrophobicContact CD2-CD1 3.47Å; L36-I149 VanDerWaalsContact CD2-CD1 3.47Å; L36-I149 HydrophobicContact CD2-CG1 3.88Å; V62-I149 CarbonylContact O-C 3.51Å; V62-I149 VanDerWaalsContact O-CA 3.27Å; V62-I149 WeakPolarHBondContact O-CA 3.44Å; L105-I149 HydrophobicContact CD2-CD1 3.4Å; L114-I149 HydrophobicContact CD1-CD1 4.43Å; S115-I149 PolarHBondContact O-N 2.92Å; I116-I149 HydrophobicContact CD1-CD1 4.24Å; I116-I149 HydrophobicContact CG1-CD1 4.03Å; I116-I149 HydrophobicContact CG1-CG1 4.47Å; I116-I149 HydrophobicContact CG2-CB 4.18Å; R117-I149 WeakPolarHBondContact CA-O 3.4Å; R117-I149 PolarHBondContact N-O 3Å
150	L	67.6	Low	59.6	Low	53 Å²	53	56 Å²	56	28%	0.277	26%	0.264	S	S	.	.			trans	-125.2	0	179.5	-67.1	-171.4	0	0	0	111.7	K61 V62 Q63 D64 R117	K61-L150 VanDerWaalsContact NZ-CD1 3.32Å; V62-L150 PolarHBondContact O-N 3.37Å; Q63-L150 WeakPolarHBondContact CA-O 3.38Å; Q63-L150 HydrophobicContact CB-CB 3.81Å; Q63-L150 HydrophobicContact CB-CD1 4.41Å; Q63-L150 HydrophobicContact CG-CB 3.65Å; Q63-L150 HydrophobicContact CG-CD1 4.38Å; D64-L150 PolarHBondContact N-O 3.26Å; R117-L150 HydrophobicContact CB-CD2 3.64Å; R117-L150 VanDerWaalsContact CD-CD2 3.42Å; R117-L150 HydrophobicContact CG-CD2 3.61Å

Retrieved 150 of 150 residues in 31.9 ms (Link to these results)

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