G4V933_SCHMA Loading...

Iron-sulfur cluster assembly 2 homolog, mitochondrial

Involved in the maturation of mitochondrial 4Fe-4S proteins functioning late in the iron-sulfur cluster assembly pathway. May be involved in the binding of an intermediate of Fe/S cluster assembly.

AlphaFold DB , UniProt , Accession G4V933, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 aa.

						>G4V933_SCHMA|G4V933
MQPSILRNVQTLSWKPFCQLPLPVRKCSTKHLLFLTENSIQRLKQIEAKGFLMRILVDSGGCSGFQYKFQLVDKIQETDKVVKQDGVVVVVDDVSLEFIKGSTIDYEDELIRSGFCVVDNPQVDKSCSCGVSFSTKLD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	59.9	Low	245 Å²	245	163.5 Å²	163.5	100%	1.207	85%	0.85	S	S	*	*				0	103.9	0	-72.9	167.1	179.3	0	0	107.1
2	Q	57.5	Low	59.3	Low	196 Å²	196	162.8 Å²	162.8	92%	0.916	85%	0.847	S	S	*	*			trans	-99.6	141.2	-175.3	-71.3	176.6	-47.5	0	0	110
3	P	64.4	Low	59.2	Low	115 Å²	115	158.2 Å²	158.2	75%	0.747	84%	0.837	S	S	*	*			trans	-97.5	126.1	164.7	27.4	-13.6	0	0	0	112
4	S	67	Low	58.1	Low	113 Å²	113	163.4 Å²	163.4	79%	0.79	84%	0.84	S	S	*	*				46	87.9	122.3	-34.8	0	0	0	0	120.3
5	I	61.5	Low	58.4	Low	152 Å²	152	164.3 Å²	164.3	78%	0.779	84%	0.835	S	S	*	*				7.2	125.4	120	-41.8	175.2	0	0	0	116.3
6	L	58.6	Low	58.2	Low	165 Å²	165	161.7 Å²	161.7	86%	0.864	83%	0.833	S	S	*	*				173.5	117.4	110.3	-87.8	166.7	0	0	0	111.3
7	R	56.8	Low	58.1	Low	236 Å²	236	164.1 Å²	164.1	89%	0.891	84%	0.836	S	S	*	*			trans	-74	129.9	172.8	-73.2	178.7	-163.7	-126.8	-0.9	109.4	V9	R7-V9 PolarHBondContact O-N 3.43Å
8	N	66.4	Low	57.7	Low	149 Å²	149	160.8 Å²	160.8	80%	0.797	83%	0.829	S	S	*	*			trans	-70	116.5	176.2	-158.9	-0.8	0	0	0	109.7
9	V	62.8	Low	57.4	Low	125 Å²	125	162.5 Å²	162.5	76%	0.758	83%	0.832	S	S	*	*			trans	-88.6	103.8	172.2	177.2	0	0	0	0	106.6	R7 T11	R7-V9 PolarHBondContact O-N 3.43Å; V9-T11 PolarHBondContact O-N 3.43Å
10	Q	56.7	Low	57.3	Low	175 Å²	175	161.3 Å²	161.3	82%	0.818	83%	0.827	S	S	*	*			trans	-73.9	115.7	171	-76.6	-175.4	-50.9	0	0	109.1	L12	Q10-L12 PolarHBondContact O-N 3.3Å
11	T	56.6	Low	57.5	Low	128 Å²	128	159.3 Å²	159.3	79%	0.785	83%	0.825	S	S	*	*			trans	-60.7	123.8	174.7	42.3	0	0	0	0	110.3	V9 S13	V9-T11 PolarHBondContact O-N 3.43Å; T11-S13 PolarHBondContact O-N 2.91Å
12	L	52.6	Low	57.6	Low	155 Å²	155	152 Å²	152	81%	0.812	79%	0.79	S	S	*	*			trans	-61.8	100.4	169	-84	151.1	0	0	0	109	Q10 W14	Q10-L12 PolarHBondContact O-N 3.3Å; L12-W14 PolarHBondContact O-N 3.16Å
13	S	57.9	Low	57.5	Low	103 Å²	103	148.1 Å²	148.1	72%	0.72	78%	0.782	S	S	*	*			trans	-67.9	97.3	165.6	179.2	0	0	0	0	108.6	T11 K15	T11-S13 PolarHBondContact O-N 2.91Å; S13-K15 PolarHBondContact O-N 3.19Å; S13-K15 VanDerWaalsContact O-N 3.12Å
14	W	43.8	Very low	57.1	Low	230 Å²	230	146.9 Å²	146.9	87%	0.871	77%	0.772	S	S	*	*			trans	-70	101	166.5	-82.4	48.2	0	0	0	107.9	L12	L12-W14 PolarHBondContact O-N 3.16Å
15	K	62.2	Low	56.5	Low	178 Å²	178	152.7 Å²	152.7	77%	0.774	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66	136.4	165.4	-70.1	-171.8	175.2	-167.9	0	108.5	S13 F17	S13-K15 PolarHBondContact O-N 3.19Å; S13-K15 VanDerWaalsContact O-N 3.12Å; K15-F17 PolarHBondContact O-N 3.12Å
16	P	56.1	Low	56	Low	122 Å²	122	155 Å²	155	79%	0.792	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.2	121.4	173.2	28.7	-30.4	0	0	0	107.4	C18	P16-C18 PolarHBondContact O-N 3.07Å; P16-C18 VanDerWaalsContact O-N 3.16Å
17	F	55.4	Low	55.2	Low	203 Å²	203	151 Å²	151	89%	0.89	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-61.6	118.2	176.3	-153	-101.2	0	0	0	107.8	K15 Q19	K15-F17 PolarHBondContact O-N 3.12Å; F17-Q19 PolarHBondContact O-N 2.99Å
18	C	51.7	Low	54.6	Low	104 Å²	104	144.7 Å²	144.7	70%	0.703	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-48.2	124.2	177.1	-85	0	0	0	0	110.7	P16 L20	P16-C18 PolarHBondContact O-N 3.07Å; P16-C18 VanDerWaalsContact O-N 3.16Å; C18-L20 VanDerWaalsContact C-N 3.28Å; C18-L20 PolarHBondContact O-N 2.8Å
19	Q	52.6	Low	54.2	Low	193 Å²	193	138.1 Å²	138.1	90%	0.902	72%	0.723	S	S	*	*			trans	-60.1	93.7	156.1	-91.5	147.8	-63.1	0	0	108.7	F17	F17-Q19 PolarHBondContact O-N 2.99Å
20	L	54.6	Low	53.9	Low	138 Å²	138	139.7 Å²	139.7	72%	0.723	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-74.4	122.5	158.1	-81	156.4	0	0	0	107.1	C18 L22	C18-L20 VanDerWaalsContact C-N 3.28Å; C18-L20 PolarHBondContact O-N 2.8Å; L20-L22 PolarHBondContact O-N 2.88Å; L20-L22 VanDerWaalsContact O-N 3.09Å
21	P	61.8	Low	54.3	Low	120 Å²	120	138.7 Å²	138.7	78%	0.779	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.7	116.1	167.3	25.5	-29.9	0	0	0	107.1
22	L	51.7	Low	55.5	Low	91 Å²	91	134.3 Å²	134.3	48%	0.476	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-62.9	144.7	-178.9	-69.6	158.3	0	0	0	109.9	L20 V24 E77	L20-L22 PolarHBondContact O-N 2.88Å; L20-L22 VanDerWaalsContact O-N 3.09Å; L22-V24 VanDerWaalsContact C-N 3.29Å; L22-V24 PolarHBondContact O-N 2.8Å; L22-E77 HydrophobicContact CD1-CB 4.31Å; L22-E77 HydrophobicContact CD1-CG 3.3Å; L22-E77 WeakPolarHBondContact CD1-OE1 2.96Å; L22-E77 WeakPolarHBondContact CD1-OE2 3.46Å
23	P	57.1	Low	57.3	Low	116 Å²	116	127 Å²	127	75%	0.753	65%	0.648	S	S	*	*			trans	-65.4	95.9	171.5	28	-31.8	0	0	0	107.6	R25	P23-R25 PolarHBondContact O-N 3.09Å
24	V	56.1	Low	58.9	Low	89 Å²	89	126.7 Å²	126.7	54%	0.539	63%	0.634	S	S	.	*			trans	-54.7	108.6	168.2	-174.9	0	0	0	0	105.4	L22 K26 V81	L22-V24 VanDerWaalsContact C-N 3.29Å; L22-V24 PolarHBondContact O-N 2.8Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.27Å; V24-V81 HydrophobicContact CG1-CG2 3.99Å
25	R	53.2	Low	61.2	Low	234 Å²	234	116.4 Å²	116.4	88%	0.883	60%	0.596	S	S	*	*			trans	-59	100.9	177.7	-74	-174.9	176.9	-161.5	1.4	106.7	P23 C27	P23-R25 PolarHBondContact O-N 3.09Å; R25-C27 PolarHBondContact O-N 2.85Å
26	K	50.6	Low	62.7	Low	200 Å²	200	109.5 Å²	109.5	87%	0.87	57%	0.569	S	S	*	*			trans	-67.5	86.4	170.1	-66.6	-178.3	-174.6	176.7	0	106.8	V24	V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.27Å
27	C	42.3	Very low	64.5	Low	82 Å²	82	111 Å²	111	55%	0.554	57%	0.565	S	S	*	*			trans	-77.9	123	160.2	-165.9	0	0	0	0	105.8	R25 T29	R25-C27 PolarHBondContact O-N 2.85Å; C27-T29 HydrophobicContact CB-CG2 3.74Å; C27-T29 WeakPolarHBondContact O-CG2 3.47Å; C27-T29 PolarHBondContact O-N 2.83Å; C27-T29 PolarHBondContact O-OG1 3.09Å
28	S	45.1	Very low	66.4	Low	104 Å²	104	105.4 Å²	105.4	73%	0.727	55%	0.545	S	S	*	.			trans	-73.4	78.8	175.2	-177.3	0	0	0	0	108.1	K30	S28-K30 PolarHBondContact O-N 3.37Å; S28-K30 VanDerWaalsContact O-N 3.09Å
29	T	56.6	Low	68.4	Low	10 Å²	10	100.4 Å²	100.4	6%	0.061	51%	0.511	C	S	.	.			trans	-81.1	30.2	-168.6	42.1	0	0	0	0	114.1	C27 H31 L32 V81 V82	C27-T29 HydrophobicContact CB-CG2 3.74Å; C27-T29 WeakPolarHBondContact O-CG2 3.47Å; C27-T29 PolarHBondContact O-N 2.83Å; C27-T29 PolarHBondContact O-OG1 3.09Å; T29-H31 PolarHBondContact O-N 2.87Å; T29-L32 HydrophobicContact CG2-CD1 3.34Å; T29-L32 HydrophobicContact CG2-CG 4.11Å; T29-L32 PolarHBondContact O-N 2.92Å; T29-L32 VanDerWaalsContact O-N 3.15Å; T29-V81 PolarHBondContact OG1-O 3.01Å; T29-V82 WeakPolarHBondContact OG1-CA 3.32Å
30	K	56.5	Low	70.4	Confident	158 Å²	158	91.9 Å²	91.9	69%	0.687	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-12.2	-177.6	-73.1	-170.3	177.6	-173.7	0	114.7	S28	S28-K30 PolarHBondContact O-N 3.37Å; S28-K30 VanDerWaalsContact O-N 3.09Å
31	H	66.4	Low	72.3	Confident	155 Å²	155	90.8 Å²	90.8	72%	0.718	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	7.4	-178	-67.9	-66.9	0	0	0	114.5	T29	T29-H31 PolarHBondContact O-N 2.87Å
32	L	82.1	Confident	73.9	Confident	35 Å²	35	89.1 Å²	89.1	18%	0.183	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-33.9	-177.1	-65.1	-173.5	0	0	0	113.3	T29 L96 K100 G101	T29-L32 HydrophobicContact CG2-CD1 3.34Å; T29-L32 HydrophobicContact CG2-CG 4.11Å; T29-L32 PolarHBondContact O-N 2.92Å; T29-L32 VanDerWaalsContact O-N 3.15Å; L32-L96 HydrophobicContact CB-CD1 4.27Å; L32-L96 HydrophobicContact CD1-CD1 4.16Å; L32-L96 HydrophobicContact CD1-CD2 3.87Å; L32-K100 HydrophobicContact CD2-CD 4.38Å; L32-K100 HydrophobicContact CD2-CG 4.2Å; L32-G101 PolarHBondContact O-N 3.22Å
33	L	88.8	Confident	75.9	Confident	2 Å²	2	85 Å²	85	1%	0.01	42%	0.42	C	S	.	.			trans	-144.9	146.2	178.7	-66	175.4	0	0	0	108.9	V82 V91 I99 S102	L33-V82 HydrophobicContact CB-CG1 4.41Å; L33-V82 HydrophobicContact CD1-CG2 4.16Å; L33-V91 HydrophobicContact CD1-CG2 3.89Å; L33-I99 HydrophobicContact CD1-CD1 3.82Å; L33-I99 HydrophobicContact CD2-CB 4.11Å; L33-I99 HydrophobicContact CD2-CD1 3.86Å; L33-I99 HydrophobicContact CD2-CG1 3.86Å; L33-I99 WeakPolarHBondContact CD2-O 3.44Å; L33-I99 HydrophobicContact CG-CD1 4.47Å; L33-S102 WeakPolarHBondContact CD2-OG 3.08Å
34	F	91.3	Very high	77.7	Confident	96 Å²	96	84.7 Å²	84.7	42%	0.421	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.3	170.9	-58.1	-80.4	0	0	0	108.9	S102 T103 I104	F34-S102 PolarHBondContact N-O 3.3Å; F34-T103 HydrophobicContact CB-CG2 4.26Å; F34-T103 CarbonylContact O-C 3.54Å; F34-T103 VanDerWaalsContact O-CA 3.26Å; F34-T103 WeakPolarHBondContact O-CA 3.47Å; F34-I104 PolarHBondContact O-N 2.95Å
35	L	92.8	Very high	79.5	Confident	14 Å²	14	85.2 Å²	85.2	7%	0.073	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.7	171	-53.3	-179.5	0	0	0	109.6	I40 L43 Q84 V87 V89 I104	L35-I40 HydrophobicContact CB-CD1 4.1Å; L35-I40 HydrophobicContact CB-CG1 3.75Å; L35-I40 HydrophobicContact CD1-CG1 4.23Å; L35-L43 HydrophobicContact CD1-CD1 3.98Å; L35-Q84 HydrophobicContact CD1-CB 4Å; L35-Q84 HydrophobicContact CG-CB 4.41Å; L35-Q84 PolarHBondContact O-NE2 3.2Å; L35-V87 HydrophobicContact CD1-CG2 3.59Å; L35-V89 HydrophobicContact CD1-CG2 4.02Å; L35-V89 HydrophobicContact CD2-CG2 4.37Å; L35-I104 HydrophobicContact CD2-CB 3.62Å; L35-I104 HydrophobicContact CD2-CG1 3.82Å; L35-I104 HydrophobicContact CD2-CG2 4.4Å
36	T	93.9	Very high	81.4	Confident	33 Å²	33	75 Å²	75	20%	0.202	37%	0.365	C	S	.	.			trans	-74.3	163.9	170	67.1	0	0	0	0	111.2	N38 S39 I40 T103 I104 D105	T36-N38 VanDerWaalsContact C-N 3.31Å; T36-N38 PolarHBondContact O-N 2.91Å; T36-S39 PolarHBondContact O-N 3.21Å; T36-S39 WeakPolarHBondContact OG1-CB 3.42Å; T36-S39 PolarHBondContact OG1-N 2.79Å; T36-I40 WeakPolarHBondContact O-CD1 3.41Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.35Å; T36-I40 PolarHBondContact O-N 3.5Å; T36-T103 HydrophobicContact CG2-CG2 3.65Å; T36-I104 PolarHBondContact N-O 3.15Å; T36-I104 VanDerWaalsContact N-O 3.11Å; T36-D105 VanDerWaalsContact CB-OD1 3.32Å; T36-D105 WeakPolarHBondContact CB-OD1 3.06Å; T36-D105 HydrophobicContact CG2-CB 3.68Å; T36-D105 WeakPolarHBondContact CG2-OD1 3.26Å; T36-D105 WeakPolarHBondContact OG1-CA 3.49Å; T36-D105 PolarHBondContact OG1-OD1 3.02Å
37	E	93.8	Very high	83.4	Confident	153 Å²	153	69 Å²	69	72%	0.715	34%	0.341	S	S	*	.	H	α-helix	trans	-59.1	-41.4	176	-63.7	-177.4	-174.8	0	0	112.2	S39 I40 Q41	E37-S39 PolarHBondContact O-N 3.15Å; E37-I40 PolarHBondContact O-N 2.88Å; E37-Q41 VanDerWaalsContact O-CG 3.32Å; E37-Q41 WeakPolarHBondContact O-CG 3.41Å; E37-Q41 PolarHBondContact O-N 2.72Å
38	N	94.8	Very high	85.8	Confident	86 Å²	86	69.3 Å²	69.3	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-45.8	177.7	-66.9	-17.6	0	0	0	111.4	T36 Q41 R42	T36-N38 VanDerWaalsContact C-N 3.31Å; T36-N38 PolarHBondContact O-N 2.91Å; N38-Q41 PolarHBondContact O-N 3.11Å; N38-R42 PolarHBondContact O-N 2.88Å
39	S	93.9	Very high	88.1	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.4	-174.8	0	0	0	0	111.4	T36 E37 Q41 R42 L43 I104	T36-S39 PolarHBondContact O-N 3.21Å; T36-S39 WeakPolarHBondContact OG1-CB 3.42Å; T36-S39 PolarHBondContact OG1-N 2.79Å; E37-S39 PolarHBondContact O-N 3.15Å; S39-Q41 PolarHBondContact O-N 3.31Å; S39-R42 PolarHBondContact O-N 3.36Å; S39-L43 WeakPolarHBondContact O-CB 3.39Å; S39-L43 WeakPolarHBondContact O-CG 3.43Å; S39-L43 PolarHBondContact O-N 2.91Å; S39-I104 VanDerWaalsContact CB-O 3.28Å; S39-I104 WeakPolarHBondContact CB-O 3.47Å; S39-I104 PolarHBondContact OG-O 2.96Å
40	I	94.7	Very high	89.8	Confident	13 Å²	13	73.8 Å²	73.8	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-46.2	177.5	-67.2	159.3	0	0	0	111.2	L35 T36 E37 R42 L43 K44 D85 V87	L35-I40 HydrophobicContact CB-CD1 4.1Å; L35-I40 HydrophobicContact CB-CG1 3.75Å; L35-I40 HydrophobicContact CD1-CG1 4.23Å; T36-I40 WeakPolarHBondContact O-CD1 3.41Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.35Å; T36-I40 PolarHBondContact O-N 3.5Å; E37-I40 PolarHBondContact O-N 2.88Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 3.26Å; I40-L43 PolarHBondContact O-N 2.89Å; I40-K44 HydrophobicContact CG2-CD 4.25Å; I40-K44 WeakPolarHBondContact O-CG 2.82Å; I40-K44 PolarHBondContact O-N 2.92Å; I40-D85 HydrophobicContact CD1-CB 3.82Å; I40-D85 WeakPolarHBondContact CD1-OD2 3.22Å; I40-D85 HydrophobicContact CG1-CB 4.38Å; I40-D85 HydrophobicContact CG2-CB 4.01Å; I40-V87 HydrophobicContact CG1-CG2 4.22Å; I40-V87 HydrophobicContact CG2-CG1 4.15Å; I40-V87 HydrophobicContact CG2-CG2 4.36Å
41	Q	94.6	Very high	91.6	Very high	116 Å²	116	70.5 Å²	70.5	54%	0.542	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-44.3	178.2	-73.4	179	13.9	0	0	111.4	E37 N38 S39 K44 Q45	E37-Q41 VanDerWaalsContact O-CG 3.32Å; E37-Q41 WeakPolarHBondContact O-CG 3.41Å; E37-Q41 PolarHBondContact O-N 2.72Å; N38-Q41 PolarHBondContact O-N 3.11Å; S39-Q41 PolarHBondContact O-N 3.31Å; Q41-K44 PolarHBondContact O-N 2.92Å; Q41-Q45 PolarHBondContact O-N 3.05Å
42	R	94.8	Very high	92.8	Very high	84 Å²	84	64.5 Å²	64.5	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-41.9	178.5	-171.6	58	166.7	171.3	-8.6	112.3	N38 S39 I40 K44 Q45 I46 Y106 F115	N38-R42 PolarHBondContact O-N 2.88Å; S39-R42 PolarHBondContact O-N 3.36Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 3.26Å; R42-K44 VanDerWaalsContact C-N 3.34Å; R42-K44 PolarHBondContact O-N 3.33Å; R42-Q45 WeakPolarHBondContact O-CB 3.35Å; R42-Q45 PolarHBondContact O-N 2.95Å; R42-I46 HydrophobicContact CG-CD1 4.22Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 3.46Å; R42-Y106 HydrophobicContact CB-CD1 3.89Å; R42-Y106 HydrophobicContact CB-CD2 4.26Å; R42-Y106 HydrophobicContact CB-CE1 4.21Å; R42-Y106 HydrophobicContact CB-CG 3.9Å; R42-Y106 HydrophobicContact CG-CD1 3.94Å; R42-Y106 HydrophobicContact CG-CD2 3.84Å; R42-Y106 HydrophobicContact CG-CE1 3.81Å; R42-Y106 HydrophobicContact CG-CE2 3.75Å; R42-Y106 HydrophobicContact CG-CG 3.94Å; R42-Y106 PolarHBondContact NE-OH 3.38Å; R42-Y106 VanDerWaalsContact NE-OH 3.16Å; R42-Y106 PolarHBondContact NH2-OH 3.16Å; R42-F115 HydrophobicContact CB-CE1 4.47Å; R42-F115 HydrophobicContact CB-CZ 4.22Å; R42-F115 HydrophobicContact CG-CE1 4.4Å; R42-F115 HydrophobicContact CG-CE2 4.35Å; R42-F115 HydrophobicContact CG-CZ 3.74Å
43	L	94.7	Very high	93.3	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-38.2	177.7	-72.9	170.7	0	0	0	112	L35 S39 I40 Q45 I46 E47 M53 V87 V89 F115	L35-L43 HydrophobicContact CD1-CD1 3.98Å; S39-L43 WeakPolarHBondContact O-CB 3.39Å; S39-L43 WeakPolarHBondContact O-CG 3.43Å; S39-L43 PolarHBondContact O-N 2.91Å; I40-L43 PolarHBondContact O-N 2.89Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 3.4Å; L43-I46 HydrophobicContact CD2-CD1 4.45Å; L43-I46 PolarHBondContact O-N 2.78Å; L43-I46 VanDerWaalsContact O-N 3.1Å; L43-E47 WeakPolarHBondContact O-CB 3.23Å; L43-E47 PolarHBondContact O-N 3.45Å; L43-M53 HydrophobicContact CD2-CB 3.33Å; L43-M53 HydrophobicContact CD2-CG 3.76Å; L43-V87 HydrophobicContact CB-CB 4Å; L43-V87 HydrophobicContact CB-CG1 3.8Å; L43-V87 HydrophobicContact CB-CG2 4.31Å; L43-V87 HydrophobicContact CD1-CG2 4.06Å; L43-V89 HydrophobicContact CD1-CG2 3.66Å; L43-F115 HydrophobicContact CD2-CE1 4.12Å; L43-F115 HydrophobicContact CD2-CZ 3.98Å; L43-F115 HydrophobicContact CG-CE1 4.09Å; L43-F115 HydrophobicContact CG-CZ 4.27Å
44	K	94.6	Very high	93.6	Very high	108 Å²	108	64.1 Å²	64.1	47%	0.47	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-39.4	173.2	-74.7	176.4	179.6	173.2	0	112.4	I40 Q41 R42 I46 A48 D85 V87	I40-K44 HydrophobicContact CG2-CD 4.25Å; I40-K44 WeakPolarHBondContact O-CG 2.82Å; I40-K44 PolarHBondContact O-N 2.92Å; Q41-K44 PolarHBondContact O-N 2.92Å; R42-K44 VanDerWaalsContact C-N 3.34Å; R42-K44 PolarHBondContact O-N 3.33Å; K44-I46 VanDerWaalsContact C-N 3.35Å; K44-A48 WeakPolarHBondContact O-CB 3.29Å; K44-A48 PolarHBondContact O-N 3.43Å; K44-D85 VanDerWaalsContact CE-O 3.26Å; K44-D85 WeakPolarHBondContact CE-O 3.22Å; K44-D85 PolarHBondContact NZ-O 2.97Å; K44-V87 HydrophobicContact CB-CG1 4.39Å; K44-V87 HydrophobicContact CD-CG1 4.43Å; K44-V87 HydrophobicContact CG-CG1 3.43Å; K44-V87 VanDerWaalsContact CG-CG1 3.43Å
45	Q	94	Very high	93.7	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-34.2	176.9	-63.9	174.2	-0.7	0	0	112.6	Q41 R42 L43 K49	Q41-Q45 PolarHBondContact O-N 3.05Å; R42-Q45 WeakPolarHBondContact O-CB 3.35Å; R42-Q45 PolarHBondContact O-N 2.95Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 3.4Å; Q45-K49 WeakPolarHBondContact O-CG 3.36Å
46	I	93.6	Very high	93.6	Very high	18 Å²	18	60.4 Å²	60.4	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-72.1	-43.4	177.4	-67.7	166.3	0	0	0	110	R42 L43 K44 A48 K49 F51 L71 F115	R42-I46 HydrophobicContact CG-CD1 4.22Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 3.46Å; L43-I46 HydrophobicContact CD2-CD1 4.45Å; L43-I46 PolarHBondContact O-N 2.78Å; L43-I46 VanDerWaalsContact O-N 3.1Å; K44-I46 VanDerWaalsContact C-N 3.35Å; I46-A48 VanDerWaalsContact C-N 3.34Å; I46-A48 PolarHBondContact O-N 3.33Å; I46-K49 WeakPolarHBondContact O-CA 3.19Å; I46-K49 WeakPolarHBondContact O-CB 3.34Å; I46-K49 PolarHBondContact O-N 3.2Å; I46-F51 CarbonylContact C-O 3.5Å; I46-F51 HydrophobicContact CG2-CB 3.81Å; I46-F51 PolarHBondContact O-N 2.96Å; I46-L71 HydrophobicContact CD1-CD2 4.23Å; I46-L71 HydrophobicContact CG2-CD1 4.45Å; I46-L71 HydrophobicContact CG2-CD2 3.49Å; I46-L71 VanDerWaalsContact CG2-CD2 3.49Å; I46-F115 HydrophobicContact CD1-CE2 3.9Å; I46-F115 HydrophobicContact CD1-CZ 3.76Å
47	E	91.9	Very high	93.5	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-37.4	177.7	-163	178.2	155	0	0	111.8	L43 K49 G50 F51 L52 V87 V88	L43-E47 WeakPolarHBondContact O-CB 3.23Å; L43-E47 PolarHBondContact O-N 3.45Å; E47-K49 PolarHBondContact O-N 3.1Å; E47-K49 VanDerWaalsContact O-N 3.15Å; E47-G50 PolarHBondContact O-N 3.18Å; E47-F51 VanDerWaalsContact CA-O 3.29Å; E47-F51 WeakPolarHBondContact CA-O 3.44Å; E47-F51 PolarHBondContact N-O 3.18Å; E47-L52 HydrophobicContact CG-CD2 4.29Å; E47-V87 WeakPolarHBondContact OE2-CA 3.35Å; E47-V88 PolarHBondContact OE2-N 3.39Å
48	A	92.4	Very high	93.3	Very high	89 Å²	89	56.2 Å²	56.2	74%	0.736	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.7	172.4	0	0	0	0	0	113.5	K44 I46	K44-A48 WeakPolarHBondContact O-CB 3.29Å; K44-A48 PolarHBondContact O-N 3.43Å; I46-A48 VanDerWaalsContact C-N 3.34Å; I46-A48 PolarHBondContact O-N 3.33Å
49	K	93.6	Very high	92.9	Very high	155 Å²	155	56.6 Å²	56.6	67%	0.674	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-1.1	173.6	-64.7	174.7	-178.8	-178.5	0	113.2	Q45 I46 E47 F51	Q45-K49 WeakPolarHBondContact O-CG 3.36Å; I46-K49 WeakPolarHBondContact O-CA 3.19Å; I46-K49 WeakPolarHBondContact O-CB 3.34Å; I46-K49 PolarHBondContact O-N 3.2Å; E47-K49 PolarHBondContact O-N 3.1Å; E47-K49 VanDerWaalsContact O-N 3.15Å; K49-F51 HydrophobicContact CB-CD2 3.96Å; K49-F51 HydrophobicContact CB-CE2 4.39Å
50	G	92.3	Very high	92.5	Very high	52 Å²	52	57.9 Å²	57.9	54%	0.536	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	15.1	-179.2	0	0	0	0	0	114.8	E47	E47-G50 PolarHBondContact O-N 3.18Å
51	F	94	Very high	91.6	Very high	89 Å²	89	59.7 Å²	59.7	39%	0.39	34%	0.336	S	S	.	.			trans	-108.6	147.7	176.1	-63	-76.3	0	0	0	111.2	I46 E47 K49 L71	I46-F51 CarbonylContact C-O 3.5Å; I46-F51 HydrophobicContact CG2-CB 3.81Å; I46-F51 PolarHBondContact O-N 2.96Å; E47-F51 VanDerWaalsContact CA-O 3.29Å; E47-F51 WeakPolarHBondContact CA-O 3.44Å; E47-F51 PolarHBondContact N-O 3.18Å; K49-F51 HydrophobicContact CB-CD2 3.96Å; K49-F51 HydrophobicContact CB-CE2 4.39Å; F51-L71 HydrophobicContact CB-CB 4.19Å; F51-L71 HydrophobicContact CD1-CB 4.31Å; F51-L71 HydrophobicContact CG-CB 4.36Å
52	L	92.6	Very high	90.6	Very high	29 Å²	29	60 Å²	60	15%	0.152	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.4	171.5	-62.3	177.4	0	0	0	109.4	E47 L71 V72 I75 V88 V90	E47-L52 HydrophobicContact CG-CD2 4.29Å; L52-L71 WeakPolarHBondContact O-CA 3.33Å; L52-V72 HydrophobicContact CB-CG2 4.09Å; L52-V72 PolarHBondContact N-O 2.94Å; L52-V72 PolarHBondContact O-N 3.47Å; L52-I75 HydrophobicContact CD1-CD1 3.74Å; L52-I75 HydrophobicContact CD1-CG1 3.54Å; L52-V88 HydrophobicContact CD2-CB 3.98Å; L52-V88 HydrophobicContact CD2-CG1 4.37Å; L52-V90 HydrophobicContact CB-CG2 4.25Å; L52-V90 HydrophobicContact CD1-CG2 4.34Å
53	M	93.4	Very high	89.6	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.034	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.3	178.2	-172.8	68.1	158.1	0	0	110.2	L43 F69 L71 V90 F115	L43-M53 HydrophobicContact CD2-CB 3.33Å; L43-M53 HydrophobicContact CD2-CG 3.76Å; M53-F69 HydrophobicContact CE-CB 3.43Å; M53-F69 VanDerWaalsContact CE-CB 3.43Å; M53-F69 HydrophobicContact CE-CD1 3.42Å; M53-F69 VanDerWaalsContact CE-CD1 3.42Å; M53-F69 HydrophobicContact CE-CE1 4.31Å; M53-F69 HydrophobicContact CE-CG 3.6Å; M53-F69 HydrophobicContact SD-CB 4.4Å; M53-L71 HydrophobicContact SD-CD2 3.81Å; M53-V90 PolarHBondContact O-N 3.31Å; M53-F115 HydrophobicContact CE-CB 4.08Å; M53-F115 HydrophobicContact CE-CD1 4.06Å; M53-F115 HydrophobicContact CE-CD2 3.17Å; M53-F115 HydrophobicContact CE-CE1 4.29Å; M53-F115 HydrophobicContact CE-CE2 3.44Å; M53-F115 VanDerWaalsContact CE-CE2 3.44Å; M53-F115 HydrophobicContact CE-CG 3.5Å; M53-F115 VanDerWaalsContact CE-CG 3.5Å; M53-F115 HydrophobicContact CE-CZ 4Å; M53-F115 HydrophobicContact SD-CD2 4.44Å; M53-F115 HydrophobicContact SD-CE2 4.19Å
54	R	93.8	Very high	89.1	Confident	22 Å²	22	58.9 Å²	58.9	8%	0.083	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.3	170.9	-169.5	179.6	-173.5	177.5	10.9	110.7	L56 F69 Q70 V72 D79 V90	R54-L56 HydrophobicContact CB-CD1 4.38Å; R54-L56 HydrophobicContact CG-CD1 3.8Å; R54-L56 HydrophobicContact CG-CG 4.26Å; R54-F69 WeakPolarHBondContact O-CA 3.03Å; R54-Q70 HydrophobicContact CB-CB 4.35Å; R54-Q70 PolarHBondContact N-O 2.98Å; R54-Q70 PolarHBondContact O-N 3.22Å; R54-V72 HydrophobicContact CB-CG1 4.03Å; R54-V72 HydrophobicContact CB-CG2 4.08Å; R54-D79 IonicContact CZ-OD1 3.27Å; R54-D79 VanDerWaalsContact CZ-OD1 3.27Å; R54-D79 IonicContact CZ-OD2 3.78Å; R54-D79 IonicContact NE-OD1 3.39Å; R54-D79 PolarHBondContact NE-OD1 3.32Å; R54-D79 IonicContact NE-OD2 3.89Å; R54-D79 IonicContact NH2-OD1 2.67Å; R54-D79 PolarHBondContact NH2-OD1 2.87Å; R54-D79 IonicContact NH2-OD2 3.74Å; R54-V90 CarbonylContact C-O 3.5Å; R54-V90 WeakPolarHBondContact CA-O 3.21Å; R54-V90 HydrophobicContact CB-CB 4.33Å; R54-V90 HydrophobicContact CG-CB 4.36Å; R54-V90 HydrophobicContact CG-CG1 4.31Å
55	I	92.8	Very high	88.9	Confident	1 Å²	1	56 Å²	56	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.1	174	-48.2	177	0	0	0	108	F69 V89 V90 V91 I99 I104	I55-F69 HydrophobicContact CB-CD1 4.43Å; I55-F69 HydrophobicContact CB-CE1 4.46Å; I55-F69 HydrophobicContact CD1-CE1 4.22Å; I55-F69 HydrophobicContact CG1-CD1 3.97Å; I55-F69 HydrophobicContact CG1-CE1 3.97Å; I55-F69 HydrophobicContact CG2-CD1 4.17Å; I55-F69 HydrophobicContact CG2-CE1 3.89Å; I55-V89 HydrophobicContact CD1-CG1 3.66Å; I55-V89 HydrophobicContact CG1-CG1 3.9Å; I55-V90 PolarHBondContact N-O 3.5Å; I55-V91 HydrophobicContact CB-CG2 4.24Å; I55-I99 HydrophobicContact CB-CD1 4.21Å; I55-I99 HydrophobicContact CD1-CD1 4.33Å; I55-I99 HydrophobicContact CG2-CD1 3.85Å; I55-I104 HydrophobicContact CD1-CD1 3.74Å; I55-I104 HydrophobicContact CD1-CG1 3.87Å
56	L	91.9	Very high	88.7	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.7	173.1	-52.2	93.2	0	0	0	109.4	R54 K68 Q70 S95	R54-L56 HydrophobicContact CB-CD1 4.38Å; R54-L56 HydrophobicContact CG-CD1 3.8Å; R54-L56 HydrophobicContact CG-CG 4.26Å; L56-K68 HydrophobicContact CB-CB 4.41Å; L56-K68 PolarHBondContact N-O 3.47Å; L56-K68 PolarHBondContact O-N 3.29Å; L56-Q70 HydrophobicContact CD1-CB 4.26Å; L56-Q70 HydrophobicContact CD1-CG 3.82Å; L56-S95 WeakPolarHBondContact CA-OG 3.29Å
57	V	91.1	Very high	88.6	Confident	22 Å²	22	55 Å²	55	13%	0.133	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	168.2	176.4	0	0	0	0	107	F65 Q66 Y67 S95 F98 I99 F133	V57-F65 HydrophobicContact CG1-CB 3.96Å; V57-F65 HydrophobicContact CG1-CD1 3.83Å; V57-F65 HydrophobicContact CG1-CG 4.21Å; V57-Q66 WeakPolarHBondContact CA-O 3.37Å; V57-Y67 HydrophobicContact CG2-CD1 3.9Å; V57-Y67 HydrophobicContact CG2-CE1 4.09Å; V57-S95 PolarHBondContact N-OG 2.84Å; V57-F98 HydrophobicContact CB-CB 4.3Å; V57-F98 HydrophobicContact CB-CD2 4.29Å; V57-F98 HydrophobicContact CB-CG 4.5Å; V57-F98 HydrophobicContact CG1-CB 4.25Å; V57-F98 HydrophobicContact CG1-CD2 4.24Å; V57-F98 HydrophobicContact CG1-CG 4.2Å; V57-F98 HydrophobicContact CG2-CB 3.85Å; V57-I99 HydrophobicContact CG2-CG2 3.95Å; V57-F133 HydrophobicContact CG1-CE1 4.24Å; V57-F133 HydrophobicContact CG1-CZ 3.76Å; V57-F133 HydrophobicContact CG2-CZ 4.3Å
58	D	89.9	Confident	88.5	Confident	76 Å²	76	55.9 Å²	55.9	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.5	176.4	-152.7	-11.3	0	0	0	109.2	G60 F65 Q66	D58-G60 PolarHBondContact O-N 2.94Å; D58-F65 WeakPolarHBondContact O-CA 3.49Å; D58-Q66 PolarHBondContact N-O 3.3Å; D58-Q66 PolarHBondContact O-N 3.47Å
59	S	87.1	Confident	88.5	Confident	93 Å²	93	54.5 Å²	54.5	65%	0.65	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	97.5	173.8	60.2	0	0	0	0	108.5	G64	S59-G64 CarbonylContact C-O 3.59Å; S59-G64 WeakPolarHBondContact CA-O 3.38Å
60	G	83.8	Confident	88.5	Confident	27 Å²	27	50.4 Å²	50.4	28%	0.278	31%	0.306	S	S	.	.			trans	179.6	-177.7	-176.6	0	0	0	0	0	113	D58 G64 F65	D58-G60 PolarHBondContact O-N 2.94Å; G60-G64 PolarHBondContact N-O 2.79Å; G60-G64 CarbonylContact O-C 3.18Å; G60-F65 CarbonylContact O-C 3.4Å; G60-F65 WeakPolarHBondContact O-CA 3.47Å; G60-F65 PolarHBondContact O-N 3.48Å; G60-F65 VanDerWaalsContact O-N 3.16Å
61	G	77	Confident	88.6	Confident	52 Å²	52	52.4 Å²	52.4	54%	0.536	30%	0.304	S	S	.	.	S	Bend	trans	83.9	-178.8	-177.4	0	0	0	0	0	113.7	S63	G61-S63 PolarHBondContact O-N 3.33Å
62	C	74.3	Confident	88.6	Confident	121 Å²	121	49.2 Å²	49.2	82%	0.818	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24	-174	-163.6	0	0	0	0	113.1
63	S	73.5	Confident	88.5	Confident	32 Å²	32	53 Å²	53	22%	0.224	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	5.5	-170.4	-53.9	0	0	0	0	113.9	G61 F133 S134	G61-S63 PolarHBondContact O-N 3.33Å; S63-F133 CarbonylContact C-O 3.32Å; S63-F133 CarbonylContact O-C 3.49Å; S63-S134 WeakPolarHBondContact O-CA 3.39Å; S63-S134 PolarHBondContact O-OG 3.4Å
64	G	84.1	Confident	88.4	Confident	36 Å²	36	60 Å²	60	37%	0.371	34%	0.342	S	S	.	.	S	Bend	trans	102	-33.6	175.1	0	0	0	0	0	115	S59 G60	S59-G64 CarbonylContact C-O 3.59Å; S59-G64 WeakPolarHBondContact CA-O 3.38Å; G60-G64 PolarHBondContact N-O 2.79Å; G60-G64 CarbonylContact O-C 3.18Å
65	F	89.3	Confident	88.2	Confident	48 Å²	48	62.2 Å²	62.2	21%	0.211	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149	174.4	-62.4	-78.6	0	0	0	112.6	V57 D58 G60 F98 S132 F133 T135	V57-F65 HydrophobicContact CG1-CB 3.96Å; V57-F65 HydrophobicContact CG1-CD1 3.83Å; V57-F65 HydrophobicContact CG1-CG 4.21Å; D58-F65 WeakPolarHBondContact O-CA 3.49Å; G60-F65 CarbonylContact O-C 3.4Å; G60-F65 WeakPolarHBondContact O-CA 3.47Å; G60-F65 PolarHBondContact O-N 3.48Å; G60-F65 VanDerWaalsContact O-N 3.16Å; F65-F98 HydrophobicContact CE1-CE1 4.33Å; F65-F98 HydrophobicContact CE1-CZ 4.24Å; F65-F98 HydrophobicContact CE2-CE1 4.49Å; F65-F98 HydrophobicContact CZ-CE1 4.14Å; F65-F98 HydrophobicContact CZ-CZ 4.31Å; F65-S132 CarbonylContact O-C 3.19Å; F65-S132 WeakPolarHBondContact O-CA 3.35Å; F65-S132 WeakPolarHBondContact O-CB 3.49Å; F65-F133 HydrophobicContact CB-CD1 4.16Å; F65-F133 HydrophobicContact CB-CD2 4.2Å; F65-F133 HydrophobicContact CB-CE1 3.72Å; F65-F133 HydrophobicContact CB-CE2 3.83Å; F65-F133 HydrophobicContact CB-CG 4.4Å; F65-F133 HydrophobicContact CB-CZ 3.58Å; F65-F133 HydrophobicContact CD2-CE2 4.47Å; F65-F133 HydrophobicContact CG-CE2 4.36Å; F65-F133 HydrophobicContact CG-CZ 4.37Å; F65-F133 PolarHBondContact N-O 2.84Å; F65-F133 VanDerWaalsContact N-O 3.08Å; F65-F133 PolarHBondContact O-N 3.16Å; F65-T135 HydrophobicContact CD2-CG2 3.71Å; F65-T135 HydrophobicContact CE2-CG2 3.78Å; F65-T135 WeakPolarHBondContact CE2-OG1 3.4Å
66	Q	90	Very high	88	Confident	77 Å²	77	67 Å²	67	36%	0.36	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.3	176.6	166.3	168.2	51.7	0	0	110.7	V57 D58 V131	V57-Q66 WeakPolarHBondContact CA-O 3.37Å; D58-Q66 PolarHBondContact N-O 3.3Å; D58-Q66 PolarHBondContact O-N 3.47Å; Q66-V131 WeakPolarHBondContact CA-O 3.44Å; Q66-V131 WeakPolarHBondContact CG-O 3.36Å
67	Y	91	Very high	87.6	Confident	21 Å²	21	73.1 Å²	73.1	8%	0.082	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.2	169.6	-55.6	-63.9	0	0	0	110.9	V57 I99 V117 N120 V131 F133	V57-Y67 HydrophobicContact CG2-CD1 3.9Å; V57-Y67 HydrophobicContact CG2-CE1 4.09Å; Y67-I99 HydrophobicContact CD1-CG2 3.95Å; Y67-I99 HydrophobicContact CE1-CG2 3.47Å; Y67-I99 VanDerWaalsContact CE1-CG2 3.47Å; Y67-V117 HydrophobicContact CD1-CB 4.49Å; Y67-V117 HydrophobicContact CD1-CG2 3.9Å; Y67-V117 HydrophobicContact CD2-CB 3.96Å; Y67-V117 HydrophobicContact CD2-CG2 3.83Å; Y67-V117 HydrophobicContact CE1-CB 4.29Å; Y67-V117 HydrophobicContact CE1-CG1 4.31Å; Y67-V117 HydrophobicContact CE1-CG2 4.13Å; Y67-V117 HydrophobicContact CE2-CB 3.69Å; Y67-V117 HydrophobicContact CE2-CG1 4.28Å; Y67-V117 HydrophobicContact CE2-CG2 4.03Å; Y67-V117 HydrophobicContact CG-CB 4.35Å; Y67-V117 HydrophobicContact CG-CG2 3.75Å; Y67-N120 PolarHBondContact OH-ND2 3.47Å; Y67-V131 PolarHBondContact N-O 3.03Å; Y67-F133 HydrophobicContact CD1-CD1 4.44Å; Y67-F133 AromaticContact CD1-CE1 3.65Å; Y67-F133 HydrophobicContact CD1-CE1 3.65Å; Y67-F133 HydrophobicContact CD1-CZ 4.31Å; Y67-F133 HydrophobicContact CD2-CD1 4.08Å; Y67-F133 HydrophobicContact CD2-CE1 4.07Å; Y67-F133 AromaticContact CE1-CD1 3.83Å; Y67-F133 HydrophobicContact CE1-CD1 3.83Å; Y67-F133 AromaticContact CE1-CE1 3.1Å; Y67-F133 HydrophobicContact CE1-CE1 3.1Å; Y67-F133 AromaticContact CE1-CZ 3.54Å; Y67-F133 HydrophobicContact CE1-CZ 3.54Å; Y67-F133 AromaticContact CE2-CD1 3.44Å; Y67-F133 HydrophobicContact CE2-CD1 3.44Å; Y67-F133 VanDerWaalsContact CE2-CD1 3.44Å; Y67-F133 AromaticContact CE2-CE1 3.63Å; Y67-F133 HydrophobicContact CE2-CE1 3.63Å; Y67-F133 HydrophobicContact CE2-CG 4.37Å; Y67-F133 HydrophobicContact CG-CE1 4.09Å; Y67-F133 AromaticContact CZ-CD1 3.3Å; Y67-F133 AromaticContact CZ-CE1 3.11Å; Y67-F133 AromaticContact CZ-CZ 3.75Å; Y67-F133 WeakPolarHBondContact OH-CD1 3.18Å; Y67-F133 WeakPolarHBondContact OH-CE1 3.42Å
68	K	91.3	Very high	87.4	Confident	93 Å²	93	76.6 Å²	76.6	40%	0.404	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.4	176.6	-168.5	173.1	-172.2	172.4	0	109.8	L56 Q70	L56-K68 HydrophobicContact CB-CB 4.41Å; L56-K68 PolarHBondContact N-O 3.47Å; L56-K68 PolarHBondContact O-N 3.29Å; K68-Q70 HydrophobicContact CG-CG 4.36Å
69	F	92.5	Very high	87.4	Confident	60 Å²	60	73.5 Å²	73.5	26%	0.263	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.7	-178.9	-64.6	-63.5	0	0	0	109.3	M53 R54 I55 F115 V117	M53-F69 HydrophobicContact CE-CB 3.43Å; M53-F69 VanDerWaalsContact CE-CB 3.43Å; M53-F69 HydrophobicContact CE-CD1 3.42Å; M53-F69 VanDerWaalsContact CE-CD1 3.42Å; M53-F69 HydrophobicContact CE-CE1 4.31Å; M53-F69 HydrophobicContact CE-CG 3.6Å; M53-F69 HydrophobicContact SD-CB 4.4Å; R54-F69 WeakPolarHBondContact O-CA 3.03Å; I55-F69 HydrophobicContact CB-CD1 4.43Å; I55-F69 HydrophobicContact CB-CE1 4.46Å; I55-F69 HydrophobicContact CD1-CE1 4.22Å; I55-F69 HydrophobicContact CG1-CD1 3.97Å; I55-F69 HydrophobicContact CG1-CE1 3.97Å; I55-F69 HydrophobicContact CG2-CD1 4.17Å; I55-F69 HydrophobicContact CG2-CE1 3.89Å; F69-F115 HydrophobicContact CD1-CB 4.19Å; F69-F115 HydrophobicContact CD2-CB 3.86Å; F69-F115 HydrophobicContact CE1-CB 3.98Å; F69-F115 HydrophobicContact CE2-CB 3.69Å; F69-F115 WeakPolarHBondContact CE2-O 3.5Å; F69-F115 HydrophobicContact CG-CB 4.09Å; F69-F115 HydrophobicContact CZ-CB 3.72Å; F69-V117 HydrophobicContact CE1-CG2 4.39Å; F69-V117 HydrophobicContact CZ-CG2 3.81Å
70	Q	93.3	Very high	87.6	Confident	68 Å²	68	72.3 Å²	72.3	32%	0.318	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	-178.2	-62.6	-177	14.8	0	0	110.4	R54 L56 K68 V72	R54-Q70 HydrophobicContact CB-CB 4.35Å; R54-Q70 PolarHBondContact N-O 2.98Å; R54-Q70 PolarHBondContact O-N 3.22Å; L56-Q70 HydrophobicContact CD1-CB 4.26Å; L56-Q70 HydrophobicContact CD1-CG 3.82Å; K68-Q70 HydrophobicContact CG-CG 4.36Å; Q70-V72 HydrophobicContact CB-CG1 4.48Å
71	L	94.1	Very high	87.9	Confident	95 Å²	95	72 Å²	72	50%	0.497	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.9	170.5	-62.5	-176.3	0	0	0	108.5	I46 F51 L52 M53	I46-L71 HydrophobicContact CD1-CD2 4.23Å; I46-L71 HydrophobicContact CG2-CD1 4.45Å; I46-L71 HydrophobicContact CG2-CD2 3.49Å; I46-L71 VanDerWaalsContact CG2-CD2 3.49Å; F51-L71 HydrophobicContact CB-CB 4.19Å; F51-L71 HydrophobicContact CD1-CB 4.31Å; F51-L71 HydrophobicContact CG-CB 4.36Å; L52-L71 WeakPolarHBondContact O-CA 3.33Å; M53-L71 HydrophobicContact SD-CD2 3.81Å
72	V	93.6	Very high	88.5	Confident	21 Å²	21	69.6 Å²	69.6	13%	0.127	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.2	-178.1	-60.9	0	0	0	0	110.2	L52 R54 Q70	L52-V72 HydrophobicContact CB-CG2 4.09Å; L52-V72 PolarHBondContact N-O 2.94Å; L52-V72 PolarHBondContact O-N 3.47Å; R54-V72 HydrophobicContact CB-CG1 4.03Å; R54-V72 HydrophobicContact CB-CG2 4.08Å; Q70-V72 HydrophobicContact CB-CG1 4.48Å
73	D	91.6	Very high	89.2	Confident	110 Å²	110	70.3 Å²	70.3	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	-89.8	-16.7	175	65	-31.9	0	0	0	112.2
74	K	89.4	Confident	89.9	Confident	153 Å²	153	71 Å²	71	67%	0.665	35%	0.35	S	S	*	.	S	Bend	trans	-133.9	140.4	-175.8	-65.3	174.1	-170.5	172.5	0	111.5
75	I	89.8	Confident	90.1	Very high	68 Å²	68	74.3 Å²	74.3	35%	0.349	36%	0.359	S	S	.	.			trans	-86.2	130.9	172.9	-57.9	169.8	0	0	0	108.1	L52 D79 V81 V90	L52-I75 HydrophobicContact CD1-CD1 3.74Å; L52-I75 HydrophobicContact CD1-CG1 3.54Å; I75-D79 HydrophobicContact CG2-CB 4.11Å; I75-V81 HydrophobicContact CD1-CG2 4.09Å; I75-V81 HydrophobicContact CG2-CG2 3.9Å; I75-V90 HydrophobicContact CG1-CG2 4.02Å; I75-V90 HydrophobicContact CG2-CG1 4.35Å
76	Q	89.1	Confident	90	Very high	101 Å²	101	75 Å²	75	47%	0.472	38%	0.38	S	S	.	.			trans	-85.3	158.9	174.5	-53.8	-179.4	-14.4	0	0	110.6	T78 D79	Q76-T78 PolarHBondContact O-N 3.31Å; Q76-D79 VanDerWaalsContact CB-OD2 3.23Å; Q76-D79 WeakPolarHBondContact CB-OD2 3.47Å; Q76-D79 PolarHBondContact N-OD2 2.75Å; Q76-D79 WeakPolarHBondContact O-CB 3.5Å; Q76-D79 PolarHBondContact O-N 3.41Å; Q76-D79 VanDerWaalsContact O-N 3.11Å
77	E	84.3	Confident	90.1	Very high	162 Å²	162	71.4 Å²	71.4	76%	0.757	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-31.1	-177.5	-45.6	-176.4	-169.5	0	0	113.1	L22	L22-E77 HydrophobicContact CD1-CB 4.31Å; L22-E77 HydrophobicContact CD1-CG 3.3Å; L22-E77 WeakPolarHBondContact CD1-OE1 2.96Å; L22-E77 WeakPolarHBondContact CD1-OE2 3.46Å
78	T	86.8	Confident	90.1	Very high	94 Å²	94	71.4 Å²	71.4	58%	0.577	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.1	179	53	0	0	0	0	112.6	Q76	Q76-T78 PolarHBondContact O-N 3.31Å
79	D	90.2	Very high	90.1	Very high	12 Å²	12	67 Å²	67	6%	0.064	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.7	-178.7	-64.6	-30.6	0	0	0	111.8	R54 I75 Q76 V90	R54-D79 IonicContact CZ-OD1 3.27Å; R54-D79 VanDerWaalsContact CZ-OD1 3.27Å; R54-D79 IonicContact CZ-OD2 3.78Å; R54-D79 IonicContact NE-OD1 3.39Å; R54-D79 PolarHBondContact NE-OD1 3.32Å; R54-D79 IonicContact NE-OD2 3.89Å; R54-D79 IonicContact NH2-OD1 2.67Å; R54-D79 PolarHBondContact NH2-OD1 2.87Å; R54-D79 IonicContact NH2-OD2 3.74Å; I75-D79 HydrophobicContact CG2-CB 4.11Å; Q76-D79 VanDerWaalsContact CB-OD2 3.23Å; Q76-D79 WeakPolarHBondContact CB-OD2 3.47Å; Q76-D79 PolarHBondContact N-OD2 2.75Å; Q76-D79 WeakPolarHBondContact O-CB 3.5Å; Q76-D79 PolarHBondContact O-N 3.41Å; Q76-D79 VanDerWaalsContact O-N 3.11Å; D79-V90 HydrophobicContact CB-CG1 3.31Å; D79-V90 VanDerWaalsContact CG-CG1 3.46Å; D79-V90 WeakPolarHBondContact OD2-CG1 3.26Å
80	K	90.3	Very high	90.1	Very high	67 Å²	67	64.2 Å²	64.2	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136	167.4	-53.8	-60.5	-173.2	-162.8	0	109.2	V90 V91 D93 L96	K80-V90 WeakPolarHBondContact O-CA 3.4Å; K80-V91 PolarHBondContact N-O 2.74Å; K80-V91 PolarHBondContact O-N 2.85Å; K80-D93 WeakPolarHBondContact CE-OD1 3.28Å; K80-D93 WeakPolarHBondContact CE-OD2 3.43Å; K80-D93 VanDerWaalsContact NZ-CG 3.34Å; K80-D93 IonicContact NZ-OD1 2.89Å; K80-D93 PolarHBondContact NZ-OD1 2.63Å; K80-D93 IonicContact NZ-OD2 3.26Å; K80-D93 PolarHBondContact NZ-OD2 3.25Å; K80-L96 HydrophobicContact CB-CD2 4.23Å; K80-L96 HydrophobicContact CG-CD2 3.78Å
81	V	90.5	Very high	90.1	Very high	20 Å²	20	61 Å²	61	12%	0.121	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.7	179	-175.7	0	0	0	0	109.1	V24 T29 I75 K83 V88	V24-V81 HydrophobicContact CG1-CG2 3.99Å; T29-V81 PolarHBondContact OG1-O 3.01Å; I75-V81 HydrophobicContact CD1-CG2 4.09Å; I75-V81 HydrophobicContact CG2-CG2 3.9Å; V81-K83 HydrophobicContact CG1-CG 4.11Å; V81-V88 HydrophobicContact CG1-CG1 3.4Å
82	V	89.1	Confident	90	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.1	172.4	-175.1	0	0	0	0	108.8	T29 L33 V89	T29-V82 WeakPolarHBondContact OG1-CA 3.32Å; L33-V82 HydrophobicContact CB-CG1 4.41Å; L33-V82 HydrophobicContact CD1-CG2 4.16Å; V82-V89 PolarHBondContact N-O 2.67Å; V82-V89 PolarHBondContact O-N 3.11Å
83	K	89.5	Confident	89.8	Confident	135 Å²	135	60.3 Å²	60.3	59%	0.587	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.2	178.9	-59.9	-165.1	179.1	-164.6	0	109.8	V81 V87 V88	V81-K83 HydrophobicContact CG1-CG 4.11Å; K83-V87 WeakPolarHBondContact CA-O 3.49Å; K83-V88 HydrophobicContact CD-CG2 4.37Å; K83-V88 HydrophobicContact CG-CG2 4.23Å
84	Q	88.5	Confident	89.7	Confident	47 Å²	47	59.6 Å²	59.6	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.5	177.4	178.6	177.6	-21.7	0	0	108.8	L35 G86 V87	L35-Q84 HydrophobicContact CD1-CB 4Å; L35-Q84 HydrophobicContact CG-CB 4.41Å; L35-Q84 PolarHBondContact O-NE2 3.2Å; Q84-G86 PolarHBondContact O-N 3.39Å; Q84-V87 PolarHBondContact N-O 3.28Å; Q84-V87 WeakPolarHBondContact O-CG2 3.32Å; Q84-V87 PolarHBondContact O-N 2.52Å
85	D	88	Confident	89.8	Confident	105 Å²	105	52.4 Å²	52.4	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	31.5	174.4	-63.9	-61.3	0	0	0	116.7	I40 K44	I40-D85 HydrophobicContact CD1-CB 3.82Å; I40-D85 WeakPolarHBondContact CD1-OD2 3.22Å; I40-D85 HydrophobicContact CG1-CB 4.38Å; I40-D85 HydrophobicContact CG2-CB 4.01Å; K44-D85 VanDerWaalsContact CE-O 3.26Å; K44-D85 WeakPolarHBondContact CE-O 3.22Å; K44-D85 PolarHBondContact NZ-O 2.97Å
86	G	87.8	Confident	89.8	Confident	64 Å²	64	49.9 Å²	49.9	66%	0.66	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	1	179.4	0	0	0	0	0	115.2	Q84	Q84-G86 PolarHBondContact O-N 3.39Å
87	V	91.4	Very high	89.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	152.4	173	-62.7	0	0	0	0	112	L35 I40 L43 K44 E47 K83 Q84	L35-V87 HydrophobicContact CD1-CG2 3.59Å; I40-V87 HydrophobicContact CG1-CG2 4.22Å; I40-V87 HydrophobicContact CG2-CG1 4.15Å; I40-V87 HydrophobicContact CG2-CG2 4.36Å; L43-V87 HydrophobicContact CB-CB 4Å; L43-V87 HydrophobicContact CB-CG1 3.8Å; L43-V87 HydrophobicContact CB-CG2 4.31Å; L43-V87 HydrophobicContact CD1-CG2 4.06Å; K44-V87 HydrophobicContact CB-CG1 4.39Å; K44-V87 HydrophobicContact CD-CG1 4.43Å; K44-V87 HydrophobicContact CG-CG1 3.43Å; K44-V87 VanDerWaalsContact CG-CG1 3.43Å; E47-V87 WeakPolarHBondContact OE2-CA 3.35Å; K83-V87 WeakPolarHBondContact CA-O 3.49Å; Q84-V87 PolarHBondContact N-O 3.28Å; Q84-V87 WeakPolarHBondContact O-CG2 3.32Å; Q84-V87 PolarHBondContact O-N 2.52Å
88	V	90.7	Very high	90	Very high	22 Å²	22	46.1 Å²	46.1	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.9	178.7	-175.3	0	0	0	0	110.6	E47 L52 V81 K83	E47-V88 PolarHBondContact OE2-N 3.39Å; L52-V88 HydrophobicContact CD2-CB 3.98Å; L52-V88 HydrophobicContact CD2-CG1 4.37Å; V81-V88 HydrophobicContact CG1-CG1 3.4Å; K83-V88 HydrophobicContact CD-CG2 4.37Å; K83-V88 HydrophobicContact CG-CG2 4.23Å
89	V	92.3	Very high	90.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.2	173.7	-178.9	0	0	0	0	109.1	L35 L43 I55 V82 V91	L35-V89 HydrophobicContact CD1-CG2 4.02Å; L35-V89 HydrophobicContact CD2-CG2 4.37Å; L43-V89 HydrophobicContact CD1-CG2 3.66Å; I55-V89 HydrophobicContact CD1-CG1 3.66Å; I55-V89 HydrophobicContact CG1-CG1 3.9Å; V82-V89 PolarHBondContact N-O 2.67Å; V82-V89 PolarHBondContact O-N 3.11Å; V89-V91 HydrophobicContact CG1-CG2 4.33Å
90	V	92.8	Very high	90.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	-174.9	-173.7	0	0	0	0	108.3	L52 M53 R54 I55 I75 D79 K80	L52-V90 HydrophobicContact CB-CG2 4.25Å; L52-V90 HydrophobicContact CD1-CG2 4.34Å; M53-V90 PolarHBondContact O-N 3.31Å; R54-V90 CarbonylContact C-O 3.5Å; R54-V90 WeakPolarHBondContact CA-O 3.21Å; R54-V90 HydrophobicContact CB-CB 4.33Å; R54-V90 HydrophobicContact CG-CB 4.36Å; R54-V90 HydrophobicContact CG-CG1 4.31Å; I55-V90 PolarHBondContact N-O 3.5Å; I75-V90 HydrophobicContact CG1-CG2 4.02Å; I75-V90 HydrophobicContact CG2-CG1 4.35Å; D79-V90 HydrophobicContact CB-CG1 3.31Å; D79-V90 VanDerWaalsContact CG-CG1 3.46Å; D79-V90 WeakPolarHBondContact OD2-CG1 3.26Å; K80-V90 WeakPolarHBondContact O-CA 3.4Å
91	V	92.6	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.1	-179.7	-169.1	0	0	0	0	108.2	L33 I55 K80 V89 L96 I99	L33-V91 HydrophobicContact CD1-CG2 3.89Å; I55-V91 HydrophobicContact CB-CG2 4.24Å; K80-V91 PolarHBondContact N-O 2.74Å; K80-V91 PolarHBondContact O-N 2.85Å; V89-V91 HydrophobicContact CG1-CG2 4.33Å; V91-L96 HydrophobicContact CG1-CB 4.02Å; V91-I99 HydrophobicContact CG1-CD1 3.69Å; V91-I99 HydrophobicContact CG1-CG1 4.29Å; V91-I99 HydrophobicContact CG2-CD1 4.1Å
92	D	91.4	Very high	90.3	Very high	24 Å²	24	43.3 Å²	43.3	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	157.8	171.7	67.4	-86.4	0	0	0	111.5	V94 S95 L96	D92-V94 VanDerWaalsContact C-N 3.29Å; D92-V94 PolarHBondContact O-N 3Å; D92-V94 WeakPolarHBondContact OD2-CB 3.43Å; D92-V94 PolarHBondContact OD2-N 2.98Å; D92-S95 VanDerWaalsContact CG-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.26Å; D92-S95 WeakPolarHBondContact OD1-CB 3.45Å; D92-S95 PolarHBondContact OD1-OG 2.8Å; D92-S95 WeakPolarHBondContact OD2-CB 3.5Å; D92-S95 PolarHBondContact OD2-N 2.77Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; D92-L96 WeakPolarHBondContact O-CB 3.43Å; D92-L96 PolarHBondContact O-N 3.47Å
93	D	89.3	Confident	90.5	Very high	79 Å²	79	44.3 Å²	44.3	42%	0.422	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-38.6	-174.2	-142.5	-0.1	0	0	0	112.6	K80 L96	K80-D93 WeakPolarHBondContact CE-OD1 3.28Å; K80-D93 WeakPolarHBondContact CE-OD2 3.43Å; K80-D93 VanDerWaalsContact NZ-CG 3.34Å; K80-D93 IonicContact NZ-OD1 2.89Å; K80-D93 PolarHBondContact NZ-OD1 2.63Å; K80-D93 IonicContact NZ-OD2 3.26Å; K80-D93 PolarHBondContact NZ-OD2 3.25Å; D93-L96 WeakPolarHBondContact O-CB 3.37Å; D93-L96 PolarHBondContact O-N 2.85Å
94	V	89.6	Confident	90.6	Very high	94 Å²	94	38 Å²	38	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-69.7	-49.9	-178.4	178	0	0	0	0	109.9	D92 L96 E97 F98	D92-V94 VanDerWaalsContact C-N 3.29Å; D92-V94 PolarHBondContact O-N 3Å; D92-V94 WeakPolarHBondContact OD2-CB 3.43Å; D92-V94 PolarHBondContact OD2-N 2.98Å; V94-L96 PolarHBondContact O-N 3.38Å; V94-E97 PolarHBondContact O-N 2.81Å; V94-F98 HydrophobicContact CG1-CE2 3.9Å; V94-F98 WeakPolarHBondContact O-CD2 3.4Å
95	S	91.7	Very high	90.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-35.4	177	-62.2	0	0	0	0	112.4	L56 V57 D92 E97 F98 I99	L56-S95 WeakPolarHBondContact CA-OG 3.29Å; V57-S95 PolarHBondContact N-OG 2.84Å; D92-S95 VanDerWaalsContact CG-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.26Å; D92-S95 WeakPolarHBondContact OD1-CB 3.45Å; D92-S95 PolarHBondContact OD1-OG 2.8Å; D92-S95 WeakPolarHBondContact OD2-CB 3.5Å; D92-S95 PolarHBondContact OD2-N 2.77Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; S95-E97 PolarHBondContact O-N 2.8Å; S95-F98 WeakPolarHBondContact O-CB 3.43Å; S95-F98 PolarHBondContact O-N 2.82Å; S95-I99 WeakPolarHBondContact O-CG1 3.17Å; S95-I99 PolarHBondContact O-N 2.57Å; S95-I99 VanDerWaalsContact O-N 3.13Å
96	L	90.6	Very high	91.1	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-37.5	179	-179.8	64.7	0	0	0	111.9	L32 K80 V91 D92 D93 V94 F98 I99 K100	L32-L96 HydrophobicContact CB-CD1 4.27Å; L32-L96 HydrophobicContact CD1-CD1 4.16Å; L32-L96 HydrophobicContact CD1-CD2 3.87Å; K80-L96 HydrophobicContact CB-CD2 4.23Å; K80-L96 HydrophobicContact CG-CD2 3.78Å; V91-L96 HydrophobicContact CG1-CB 4.02Å; D92-L96 WeakPolarHBondContact O-CB 3.43Å; D92-L96 PolarHBondContact O-N 3.47Å; D93-L96 WeakPolarHBondContact O-CB 3.37Å; D93-L96 PolarHBondContact O-N 2.85Å; V94-L96 PolarHBondContact O-N 3.38Å; L96-F98 VanDerWaalsContact C-N 3.26Å; L96-F98 PolarHBondContact O-N 3.13Å; L96-I99 PolarHBondContact O-N 2.74Å; L96-K100 WeakPolarHBondContact O-CB 3.46Å; L96-K100 PolarHBondContact O-N 3.01Å
97	E	88.6	Confident	91.3	Very high	136 Å²	136	34.1 Å²	34.1	64%	0.636	18%	0.177	S	C	*	.	H	α-helix	trans	-62.2	-35.9	176.4	-64	-173.5	161.6	0	0	111.9	V94 S95 Q122	V94-E97 PolarHBondContact O-N 2.81Å; S95-E97 PolarHBondContact O-N 2.8Å; E97-Q122 WeakPolarHBondContact O-CG 3.38Å
98	F	89.3	Confident	91.2	Very high	49 Å²	49	39.9 Å²	39.9	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-78	-24	179.2	-66	-71.9	0	0	0	114.3	V57 F65 V94 S95 L96 N120 Q122 F133 T135	V57-F98 HydrophobicContact CB-CB 4.3Å; V57-F98 HydrophobicContact CB-CD2 4.29Å; V57-F98 HydrophobicContact CB-CG 4.5Å; V57-F98 HydrophobicContact CG1-CB 4.25Å; V57-F98 HydrophobicContact CG1-CD2 4.24Å; V57-F98 HydrophobicContact CG1-CG 4.2Å; V57-F98 HydrophobicContact CG2-CB 3.85Å; F65-F98 HydrophobicContact CE1-CE1 4.33Å; F65-F98 HydrophobicContact CE1-CZ 4.24Å; F65-F98 HydrophobicContact CE2-CE1 4.49Å; F65-F98 HydrophobicContact CZ-CE1 4.14Å; F65-F98 HydrophobicContact CZ-CZ 4.31Å; V94-F98 HydrophobicContact CG1-CE2 3.9Å; V94-F98 WeakPolarHBondContact O-CD2 3.4Å; S95-F98 WeakPolarHBondContact O-CB 3.43Å; S95-F98 PolarHBondContact O-N 2.82Å; L96-F98 VanDerWaalsContact C-N 3.26Å; L96-F98 PolarHBondContact O-N 3.13Å; F98-N120 PolarHBondContact O-ND2 2.85Å; F98-N120 PolarHBondContact O-OD1 2.85Å; F98-Q122 WeakPolarHBondContact O-CB 3.19Å; F98-F133 HydrophobicContact CB-CZ 4.47Å; F98-T135 HydrophobicContact CD1-CG2 3.52Å; F98-T135 HydrophobicContact CE1-CG2 3.74Å
99	I	90.5	Very high	91	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-111	4	-179.1	62.5	169.8	0	0	0	113.8	L33 I55 V57 Y67 V91 S95 L96 G101 S102	L33-I99 HydrophobicContact CD1-CD1 3.82Å; L33-I99 HydrophobicContact CD2-CB 4.11Å; L33-I99 HydrophobicContact CD2-CD1 3.86Å; L33-I99 HydrophobicContact CD2-CG1 3.86Å; L33-I99 WeakPolarHBondContact CD2-O 3.44Å; L33-I99 HydrophobicContact CG-CD1 4.47Å; I55-I99 HydrophobicContact CB-CD1 4.21Å; I55-I99 HydrophobicContact CD1-CD1 4.33Å; I55-I99 HydrophobicContact CG2-CD1 3.85Å; V57-I99 HydrophobicContact CG2-CG2 3.95Å; Y67-I99 HydrophobicContact CD1-CG2 3.95Å; Y67-I99 HydrophobicContact CE1-CG2 3.47Å; Y67-I99 VanDerWaalsContact CE1-CG2 3.47Å; V91-I99 HydrophobicContact CG1-CD1 3.69Å; V91-I99 HydrophobicContact CG1-CG1 4.29Å; V91-I99 HydrophobicContact CG2-CD1 4.1Å; S95-I99 WeakPolarHBondContact O-CG1 3.17Å; S95-I99 PolarHBondContact O-N 2.57Å; S95-I99 VanDerWaalsContact O-N 3.13Å; L96-I99 PolarHBondContact O-N 2.74Å; I99-G101 PolarHBondContact O-N 3.24Å; I99-S102 WeakPolarHBondContact O-CB 3.42Å; I99-S102 PolarHBondContact O-N 3.02Å; I99-S102 PolarHBondContact O-OG 3.31Å
100	K	90.8	Very high	90.8	Very high	109 Å²	109	53.4 Å²	53.4	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	123	-176.7	-173.5	177.7	177.1	-174.6	0	111.5	L32 L96 S102 P121	L32-K100 HydrophobicContact CD2-CD 4.38Å; L32-K100 HydrophobicContact CD2-CG 4.2Å; L96-K100 WeakPolarHBondContact O-CB 3.46Å; L96-K100 PolarHBondContact O-N 3.01Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-P121 VanDerWaalsContact O-CG 3.22Å; K100-P121 WeakPolarHBondContact O-CG 3.48Å
101	G	90.2	Very high	90.3	Very high	24 Å²	24	61.2 Å²	61.2	25%	0.247	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	2.6	-179.2	0	0	0	0	0	114.4	L32 I99	L32-G101 PolarHBondContact O-N 3.22Å; I99-G101 PolarHBondContact O-N 3.24Å
102	S	92.3	Very high	89.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.			trans	-77.9	161.4	176.4	68.9	0	0	0	0	112.6	L33 F34 I99 K100 V117	L33-S102 WeakPolarHBondContact CD2-OG 3.08Å; F34-S102 PolarHBondContact N-O 3.3Å; I99-S102 WeakPolarHBondContact O-CB 3.42Å; I99-S102 PolarHBondContact O-N 3.02Å; I99-S102 PolarHBondContact O-OG 3.31Å; K100-S102 VanDerWaalsContact C-N 3.32Å; S102-V117 WeakPolarHBondContact OG-CG1 3.37Å
103	T	91.8	Very high	89.8	Confident	25 Å²	25	68.8 Å²	68.8	15%	0.153	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.2	174.1	-58.1	0	0	0	0	109.5	F34 T36 V118	F34-T103 HydrophobicContact CB-CG2 4.26Å; F34-T103 CarbonylContact O-C 3.54Å; F34-T103 VanDerWaalsContact O-CA 3.26Å; F34-T103 WeakPolarHBondContact O-CA 3.47Å; T36-T103 HydrophobicContact CG2-CG2 3.65Å; T103-V118 HydrophobicContact CG2-CG2 3.96Å; T103-V118 PolarHBondContact N-O 3.14Å; T103-V118 PolarHBondContact O-N 2.92Å
104	I	93.3	Very high	89.9	Confident	3 Å²	3	66 Å²	66	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.6	174.3	-47.2	-60.5	0	0	0	108.4	F34 L35 T36 S39 I55 F115 V117	F34-I104 PolarHBondContact O-N 2.95Å; L35-I104 HydrophobicContact CD2-CB 3.62Å; L35-I104 HydrophobicContact CD2-CG1 3.82Å; L35-I104 HydrophobicContact CD2-CG2 4.4Å; T36-I104 PolarHBondContact N-O 3.15Å; T36-I104 VanDerWaalsContact N-O 3.11Å; S39-I104 VanDerWaalsContact CB-O 3.28Å; S39-I104 WeakPolarHBondContact CB-O 3.47Å; S39-I104 PolarHBondContact OG-O 2.96Å; I55-I104 HydrophobicContact CD1-CD1 3.74Å; I55-I104 HydrophobicContact CD1-CG1 3.87Å; I104-F115 HydrophobicContact CG2-CD1 4.35Å; I104-V117 HydrophobicContact CD1-CB 4.29Å; I104-V117 HydrophobicContact CD1-CG1 4.05Å; I104-V117 HydrophobicContact CD1-CG2 3.66Å
105	D	93	Very high	90	Very high	37 Å²	37	62.9 Å²	62.9	20%	0.198	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	163.2	176.5	-161.7	12.5	0	0	0	111.3	T36 F115 C116 V118	T36-D105 VanDerWaalsContact CB-OD1 3.32Å; T36-D105 WeakPolarHBondContact CB-OD1 3.06Å; T36-D105 HydrophobicContact CG2-CB 3.68Å; T36-D105 WeakPolarHBondContact CG2-OD1 3.26Å; T36-D105 WeakPolarHBondContact OG1-CA 3.49Å; T36-D105 PolarHBondContact OG1-OD1 3.02Å; D105-F115 WeakPolarHBondContact O-CA 3.44Å; D105-C116 PolarHBondContact N-O 2.95Å; D105-C116 PolarHBondContact O-N 3.22Å; D105-V118 HydrophobicContact CB-CG2 4.49Å
106	Y	93.4	Very high	90	Very high	23 Å²	23	63.5 Å²	63.5	9%	0.09	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.1	171.7	-175.2	-103.2	0	0	0	108.7	R42 D108 G114 F115	R42-Y106 HydrophobicContact CB-CD1 3.89Å; R42-Y106 HydrophobicContact CB-CD2 4.26Å; R42-Y106 HydrophobicContact CB-CE1 4.21Å; R42-Y106 HydrophobicContact CB-CG 3.9Å; R42-Y106 HydrophobicContact CG-CD1 3.94Å; R42-Y106 HydrophobicContact CG-CD2 3.84Å; R42-Y106 HydrophobicContact CG-CE1 3.81Å; R42-Y106 HydrophobicContact CG-CE2 3.75Å; R42-Y106 HydrophobicContact CG-CG 3.94Å; R42-Y106 PolarHBondContact NE-OH 3.38Å; R42-Y106 VanDerWaalsContact NE-OH 3.16Å; R42-Y106 PolarHBondContact NH2-OH 3.16Å; Y106-D108 HydrophobicContact CD1-CB 4.32Å; Y106-D108 HydrophobicContact CE1-CB 3.95Å; Y106-G114 WeakPolarHBondContact CD2-O 3.18Å; Y106-F115 AromaticContact CD2-CD1 3.79Å; Y106-F115 HydrophobicContact CD2-CD1 3.79Å; Y106-F115 AromaticContact CD2-CD2 3.92Å; Y106-F115 HydrophobicContact CD2-CD2 3.92Å; Y106-F115 AromaticContact CD2-CE1 3.79Å; Y106-F115 HydrophobicContact CD2-CE1 3.79Å; Y106-F115 AromaticContact CD2-CE2 3.94Å; Y106-F115 HydrophobicContact CD2-CE2 3.94Å; Y106-F115 AromaticContact CD2-CG 3.87Å; Y106-F115 HydrophobicContact CD2-CG 3.87Å; Y106-F115 AromaticContact CD2-CZ 3.88Å; Y106-F115 HydrophobicContact CD2-CZ 3.88Å; Y106-F115 HydrophobicContact CE2-CD2 4.16Å; Y106-F115 HydrophobicContact CE2-CE2 4.06Å; Y106-F115 HydrophobicContact CE2-CZ 4.33Å; Y106-F115 HydrophobicContact CG-CD1 4.46Å; Y106-F115 HydrophobicContact CG-CE1 4.34Å
107	E	91.2	Very high	90	Very high	74 Å²	74	63.5 Å²	63.5	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.2	172.4	-73.7	166	-163.3	0	0	108.4	S113 G114 C116	E107-S113 CarbonylContact O-C 3.57Å; E107-S113 WeakPolarHBondContact O-CA 3.46Å; E107-G114 PolarHBondContact N-O 3.19Å; E107-G114 PolarHBondContact O-N 2.88Å; E107-C116 VanDerWaalsContact CD-SG 3.58Å; E107-C116 PolarHBondContact OE1-SG 3.47Å
108	D	89.7	Confident	89.9	Confident	121 Å²	121	59.3 Å²	59.3	65%	0.647	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	76	172.4	-164.9	21	0	0	0	109	Y106 S113	Y106-D108 HydrophobicContact CD1-CB 4.32Å; Y106-D108 HydrophobicContact CE1-CB 3.95Å; D108-S113 VanDerWaalsContact OD1-CB 3.29Å; D108-S113 WeakPolarHBondContact OD1-CB 3.39Å; D108-S113 PolarHBondContact OD1-OG 2.87Å
109	E	87.3	Confident	89.8	Confident	120 Å²	120	63.3 Å²	63.3	56%	0.561	33%	0.332	S	S	*	.			trans	-97.7	156.7	176.2	-58.5	-170.1	161.4	0	0	110.8	I111 R112	E109-I111 PolarHBondContact O-N 2.77Å; E109-I111 VanDerWaalsContact O-N 3.07Å; E109-R112 WeakPolarHBondContact CA-O 3.45Å; E109-R112 WeakPolarHBondContact CB-O 3.43Å; E109-R112 PolarHBondContact N-O 3.18Å; E109-R112 CarbonylContact O-C 3.4Å; E109-R112 PolarHBondContact O-N 3.36Å; E109-R112 VanDerWaalsContact O-N 3.11Å; E109-R112 VanDerWaalsContact O-O 3.13Å
110	L	86.5	Confident	89.8	Confident	186 Å²	186	64.2 Å²	64.2	97%	0.974	34%	0.337	S	S	*	.	S	Bend	trans	-55.9	-32	-179.2	-171.8	69.7	0	0	0	113.3
111	I	83.5	Confident	89.6	Confident	165 Å²	165	62.1 Å²	62.1	85%	0.846	34%	0.335	S	S	*	.	S	Bend	trans	-93.1	-27.1	-176.4	-60.7	169.4	0	0	0	111	E109	E109-I111 PolarHBondContact O-N 2.77Å; E109-I111 VanDerWaalsContact O-N 3.07Å
112	R	83.2	Confident	89.4	Confident	117 Å²	117	64.8 Å²	64.8	44%	0.442	34%	0.341	S	S	.	.			trans	-153.8	124.5	-172.9	-177.9	176.6	177.4	166.7	-4.2	110.5	E109	E109-R112 WeakPolarHBondContact CA-O 3.45Å; E109-R112 WeakPolarHBondContact CB-O 3.43Å; E109-R112 PolarHBondContact N-O 3.18Å; E109-R112 CarbonylContact O-C 3.4Å; E109-R112 PolarHBondContact O-N 3.36Å; E109-R112 VanDerWaalsContact O-N 3.11Å; E109-R112 VanDerWaalsContact O-O 3.13Å
113	S	89.5	Confident	89	Confident	66 Å²	66	66 Å²	66	46%	0.462	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	165.7	-40.4	0	0	0	0	109.4	E107 D108	E107-S113 CarbonylContact O-C 3.57Å; E107-S113 WeakPolarHBondContact O-CA 3.46Å; D108-S113 VanDerWaalsContact OD1-CB 3.29Å; D108-S113 WeakPolarHBondContact OD1-CB 3.39Å; D108-S113 PolarHBondContact OD1-OG 2.87Å
114	G	91.6	Very high	88.6	Confident	19 Å²	19	69 Å²	69	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	161.9	-177.1	0	0	0	0	0	113.6	Y106 E107	Y106-G114 WeakPolarHBondContact CD2-O 3.18Å; E107-G114 PolarHBondContact N-O 3.19Å; E107-G114 PolarHBondContact O-N 2.88Å
115	F	92.5	Very high	88	Confident	29 Å²	29	75.7 Å²	75.7	13%	0.127	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.1	170.5	-67.7	-84.2	0	0	0	110	R42 L43 I46 M53 F69 I104 D105 Y106	R42-F115 HydrophobicContact CB-CE1 4.47Å; R42-F115 HydrophobicContact CB-CZ 4.22Å; R42-F115 HydrophobicContact CG-CE1 4.4Å; R42-F115 HydrophobicContact CG-CE2 4.35Å; R42-F115 HydrophobicContact CG-CZ 3.74Å; L43-F115 HydrophobicContact CD2-CE1 4.12Å; L43-F115 HydrophobicContact CD2-CZ 3.98Å; L43-F115 HydrophobicContact CG-CE1 4.09Å; L43-F115 HydrophobicContact CG-CZ 4.27Å; I46-F115 HydrophobicContact CD1-CE2 3.9Å; I46-F115 HydrophobicContact CD1-CZ 3.76Å; M53-F115 HydrophobicContact CE-CB 4.08Å; M53-F115 HydrophobicContact CE-CD1 4.06Å; M53-F115 HydrophobicContact CE-CD2 3.17Å; M53-F115 HydrophobicContact CE-CE1 4.29Å; M53-F115 HydrophobicContact CE-CE2 3.44Å; M53-F115 VanDerWaalsContact CE-CE2 3.44Å; M53-F115 HydrophobicContact CE-CG 3.5Å; M53-F115 VanDerWaalsContact CE-CG 3.5Å; M53-F115 HydrophobicContact CE-CZ 4Å; M53-F115 HydrophobicContact SD-CD2 4.44Å; M53-F115 HydrophobicContact SD-CE2 4.19Å; F69-F115 HydrophobicContact CD1-CB 4.19Å; F69-F115 HydrophobicContact CD2-CB 3.86Å; F69-F115 HydrophobicContact CE1-CB 3.98Å; F69-F115 HydrophobicContact CE2-CB 3.69Å; F69-F115 WeakPolarHBondContact CE2-O 3.5Å; F69-F115 HydrophobicContact CG-CB 4.09Å; F69-F115 HydrophobicContact CZ-CB 3.72Å; I104-F115 HydrophobicContact CG2-CD1 4.35Å; D105-F115 WeakPolarHBondContact O-CA 3.44Å; Y106-F115 AromaticContact CD2-CD1 3.79Å; Y106-F115 HydrophobicContact CD2-CD1 3.79Å; Y106-F115 AromaticContact CD2-CD2 3.92Å; Y106-F115 HydrophobicContact CD2-CD2 3.92Å; Y106-F115 AromaticContact CD2-CE1 3.79Å; Y106-F115 HydrophobicContact CD2-CE1 3.79Å; Y106-F115 AromaticContact CD2-CE2 3.94Å; Y106-F115 HydrophobicContact CD2-CE2 3.94Å; Y106-F115 AromaticContact CD2-CG 3.87Å; Y106-F115 HydrophobicContact CD2-CG 3.87Å; Y106-F115 AromaticContact CD2-CZ 3.88Å; Y106-F115 HydrophobicContact CD2-CZ 3.88Å; Y106-F115 HydrophobicContact CE2-CD2 4.16Å; Y106-F115 HydrophobicContact CE2-CE2 4.06Å; Y106-F115 HydrophobicContact CE2-CZ 4.33Å; Y106-F115 HydrophobicContact CG-CD1 4.46Å; Y106-F115 HydrophobicContact CG-CE1 4.34Å
116	C	90.6	Very high	87.4	Confident	15 Å²	15	78.5 Å²	78.5	10%	0.101	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.2	174.5	54.6	0	0	0	0	109.6	D105 E107	D105-C116 PolarHBondContact N-O 2.95Å; D105-C116 PolarHBondContact O-N 3.22Å; E107-C116 VanDerWaalsContact CD-SG 3.58Å; E107-C116 PolarHBondContact OE1-SG 3.47Å
117	V	90.7	Very high	86.6	Confident	16 Å²	16	78.9 Å²	78.9	10%	0.097	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.3	174.7	-176	0	0	0	0	107	Y67 F69 S102 I104 N120	Y67-V117 HydrophobicContact CD1-CB 4.49Å; Y67-V117 HydrophobicContact CD1-CG2 3.9Å; Y67-V117 HydrophobicContact CD2-CB 3.96Å; Y67-V117 HydrophobicContact CD2-CG2 3.83Å; Y67-V117 HydrophobicContact CE1-CB 4.29Å; Y67-V117 HydrophobicContact CE1-CG1 4.31Å; Y67-V117 HydrophobicContact CE1-CG2 4.13Å; Y67-V117 HydrophobicContact CE2-CB 3.69Å; Y67-V117 HydrophobicContact CE2-CG1 4.28Å; Y67-V117 HydrophobicContact CE2-CG2 4.03Å; Y67-V117 HydrophobicContact CG-CB 4.35Å; Y67-V117 HydrophobicContact CG-CG2 3.75Å; F69-V117 HydrophobicContact CE1-CG2 4.39Å; F69-V117 HydrophobicContact CZ-CG2 3.81Å; S102-V117 WeakPolarHBondContact OG-CG1 3.37Å; I104-V117 HydrophobicContact CD1-CB 4.29Å; I104-V117 HydrophobicContact CD1-CG1 4.05Å; I104-V117 HydrophobicContact CD1-CG2 3.66Å; V117-N120 HydrophobicContact CG1-CB 4.33Å
118	V	88.1	Confident	85.9	Confident	48 Å²	48	81.8 Å²	81.8	29%	0.291	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	160.6	-179.6	-57.2	0	0	0	0	110.3	T103 D105 N120	T103-V118 HydrophobicContact CG2-CG2 3.96Å; T103-V118 PolarHBondContact N-O 3.14Å; T103-V118 PolarHBondContact O-N 2.92Å; D105-V118 HydrophobicContact CB-CG2 4.49Å; V118-N120 VanDerWaalsContact C-N 3.26Å; V118-N120 PolarHBondContact O-N 2.62Å; V118-N120 VanDerWaalsContact O-N 3.14Å
119	D	87.1	Confident	84.9	Confident	133 Å²	133	79 Å²	79	71%	0.711	44%	0.438	S	S	*	.	S	Bend	trans	52	36.5	177.8	-59.9	-43.8	0	0	0	115.1	P121	D119-P121 VanDerWaalsContact O-CD 3.22Å; D119-P121 WeakPolarHBondContact O-CD 3.29Å
120	N	88.9	Confident	84.2	Confident	18 Å²	18	75.3 Å²	75.3	10%	0.096	43%	0.432	C	S	.	.			trans	-77	113.5	179.5	-175.1	-5.2	0	0	0	111.6	Y67 F98 V117 V118 Q122 V123	Y67-N120 PolarHBondContact OH-ND2 3.47Å; F98-N120 PolarHBondContact O-ND2 2.85Å; F98-N120 PolarHBondContact O-OD1 2.85Å; V117-N120 HydrophobicContact CG1-CB 4.33Å; V118-N120 VanDerWaalsContact C-N 3.26Å; V118-N120 PolarHBondContact O-N 2.62Å; V118-N120 VanDerWaalsContact O-N 3.14Å; N120-Q122 PolarHBondContact O-N 2.87Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N120-Q122 WeakPolarHBondContact OD1-CG 3.22Å; N120-Q122 PolarHBondContact OD1-N 2.91Å; N120-V123 HydrophobicContact CB-CG2 3.71Å; N120-V123 PolarHBondContact O-N 2.87Å
121	P	87.3	Confident	83.8	Confident	66 Å²	66	68.4 Å²	68.4	43%	0.429	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.5	-177.7	29.5	-36.5	0	0	0	114.1	K100 D119 V123 K136	K100-P121 VanDerWaalsContact O-CG 3.22Å; K100-P121 WeakPolarHBondContact O-CG 3.48Å; D119-P121 VanDerWaalsContact O-CD 3.22Å; D119-P121 WeakPolarHBondContact O-CD 3.29Å; P121-V123 VanDerWaalsContact C-N 3.31Å; P121-K136 PolarHBondContact O-NZ 3.03Å
122	Q	85.5	Confident	83.6	Confident	79 Å²	79	61 Å²	61	37%	0.369	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.2	-179.1	-53.3	-57.3	-34.3	0	0	113	E97 F98 N120 K136	E97-Q122 WeakPolarHBondContact O-CG 3.38Å; F98-Q122 WeakPolarHBondContact O-CB 3.19Å; N120-Q122 PolarHBondContact O-N 2.87Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N120-Q122 WeakPolarHBondContact OD1-CG 3.22Å; N120-Q122 PolarHBondContact OD1-N 2.91Å; Q122-K136 PolarHBondContact O-N 2.97Å
123	V	84.8	Confident	83.6	Confident	25 Å²	25	55.5 Å²	55.5	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.6	-179.3	177	0	0	0	0	110	N120 P121 K125 F133 K136	N120-V123 HydrophobicContact CB-CG2 3.71Å; N120-V123 PolarHBondContact O-N 2.87Å; P121-V123 VanDerWaalsContact C-N 3.31Å; V123-K125 VanDerWaalsContact CG1-C 3.4Å; V123-K125 WeakPolarHBondContact CG1-O 3.47Å; V123-F133 HydrophobicContact CB-CD2 4.49Å; V123-F133 HydrophobicContact CG1-CB 3.84Å; V123-F133 HydrophobicContact CG2-CB 3.92Å; V123-F133 HydrophobicContact CG2-CD2 3.57Å; V123-F133 HydrophobicContact CG2-CE2 4.22Å; V123-F133 HydrophobicContact CG2-CG 3.85Å; V123-K136 WeakPolarHBondContact O-CE 3.43Å
124	D	82.8	Confident	83.3	Confident	89 Å²	89	54.1 Å²	54.1	48%	0.476	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-50.1	166.3	-170.2	43.9	0	0	0	110.4	S134 K136	D124-S134 PolarHBondContact N-O 3.07Å; D124-K136 HydrophobicContact CB-CB 4.49Å; D124-K136 HydrophobicContact CB-CG 3.6Å
125	K	81.3	Confident	82.8	Confident	143 Å²	143	54.4 Å²	54.4	62%	0.622	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	128	-178	-63.8	177.2	-171.7	172.2	0	110.5	V123 F133 S134	V123-K125 VanDerWaalsContact CG1-C 3.4Å; V123-K125 WeakPolarHBondContact CG1-O 3.47Å; K125-F133 CarbonylContact O-C 3.47Å; K125-F133 WeakPolarHBondContact O-CA 3.17Å; K125-S134 PolarHBondContact N-O 3.38Å; K125-S134 PolarHBondContact O-N 3.11Å
126	S	80.2	Confident	82	Confident	97 Å²	97	58.6 Å²	58.6	68%	0.678	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.8	171.9	54.8	0	0	0	0	110.7
127	C	77.3	Confident	80.7	Confident	31 Å²	31	65.5 Å²	65.5	21%	0.209	38%	0.381	C	S	.	.			trans	-70.8	145.2	169.3	-169.7	0	0	0	0	109.9	C129 G130 S132	C127-C129 PolarHBondContact O-N 3.07Å; C127-C129 PolarHBondContact SG-SG 3.08Å; C127-G130 PolarHBondContact O-N 2.67Å; C127-S132 WeakPolarHBondContact CB-O 3.48Å; C127-S132 PolarHBondContact N-O 2.91Å
128	S	75	Confident	78.8	Confident	134 Å²	134	75.6 Å²	75.6	94%	0.937	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	-179	54.6	0	0	0	0	114.2	G130	S128-G130 VanDerWaalsContact C-N 3.35Å
129	C	68.5	Low	78.3	Confident	62 Å²	62	77 Å²	77	42%	0.419	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.7	176.4	62.4	0	0	0	0	114.6	C127 V131	C127-C129 PolarHBondContact O-N 3.07Å; C127-C129 PolarHBondContact SG-SG 3.08Å; C129-V131 HydrophobicContact CB-CG2 4.4Å; C129-V131 PolarHBondContact O-N 2.94Å; C129-V131 VanDerWaalsContact SG-CG2 3.51Å
130	G	73	Confident	77.9	Confident	43 Å²	43	74.1 Å²	74.1	44%	0.443	43%	0.428	S	S	.	.	S	Bend	trans	72.4	-6.7	174.7	0	0	0	0	0	116.1	C127 S128	C127-G130 PolarHBondContact O-N 2.67Å; S128-G130 VanDerWaalsContact C-N 3.35Å
131	V	77.4	Confident	77.2	Confident	41 Å²	41	77.2 Å²	77.2	25%	0.248	45%	0.447	C	S	.	.	S	Bend	trans	-96.7	-16.8	-175.8	-62	0	0	0	0	114.3	Q66 Y67 C129	Q66-V131 WeakPolarHBondContact CA-O 3.44Å; Q66-V131 WeakPolarHBondContact CG-O 3.36Å; Y67-V131 PolarHBondContact N-O 3.03Å; C129-V131 HydrophobicContact CB-CG2 4.4Å; C129-V131 PolarHBondContact O-N 2.94Å; C129-V131 VanDerWaalsContact SG-CG2 3.51Å
132	S	80.3	Confident	76.7	Confident	10 Å²	10	77.8 Å²	77.8	7%	0.07	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.5	-176.3	-58.3	0	0	0	0	111.5	F65 C127	F65-S132 CarbonylContact O-C 3.19Å; F65-S132 WeakPolarHBondContact O-CA 3.35Å; F65-S132 WeakPolarHBondContact O-CB 3.49Å; C127-S132 WeakPolarHBondContact CB-O 3.48Å; C127-S132 PolarHBondContact N-O 2.91Å
133	F	84.2	Confident	76.1	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.009	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.1	-177.6	66.2	-82.7	0	0	0	111.5	V57 S63 F65 Y67 F98 V123 K125 T135	V57-F133 HydrophobicContact CG1-CE1 4.24Å; V57-F133 HydrophobicContact CG1-CZ 3.76Å; V57-F133 HydrophobicContact CG2-CZ 4.3Å; S63-F133 CarbonylContact C-O 3.32Å; S63-F133 CarbonylContact O-C 3.49Å; F65-F133 HydrophobicContact CB-CD1 4.16Å; F65-F133 HydrophobicContact CB-CD2 4.2Å; F65-F133 HydrophobicContact CB-CE1 3.72Å; F65-F133 HydrophobicContact CB-CE2 3.83Å; F65-F133 HydrophobicContact CB-CG 4.4Å; F65-F133 HydrophobicContact CB-CZ 3.58Å; F65-F133 HydrophobicContact CD2-CE2 4.47Å; F65-F133 HydrophobicContact CG-CE2 4.36Å; F65-F133 HydrophobicContact CG-CZ 4.37Å; F65-F133 PolarHBondContact N-O 2.84Å; F65-F133 VanDerWaalsContact N-O 3.08Å; F65-F133 PolarHBondContact O-N 3.16Å; Y67-F133 HydrophobicContact CD1-CD1 4.44Å; Y67-F133 AromaticContact CD1-CE1 3.65Å; Y67-F133 HydrophobicContact CD1-CE1 3.65Å; Y67-F133 HydrophobicContact CD1-CZ 4.31Å; Y67-F133 HydrophobicContact CD2-CD1 4.08Å; Y67-F133 HydrophobicContact CD2-CE1 4.07Å; Y67-F133 AromaticContact CE1-CD1 3.83Å; Y67-F133 HydrophobicContact CE1-CD1 3.83Å; Y67-F133 AromaticContact CE1-CE1 3.1Å; Y67-F133 HydrophobicContact CE1-CE1 3.1Å; Y67-F133 AromaticContact CE1-CZ 3.54Å; Y67-F133 HydrophobicContact CE1-CZ 3.54Å; Y67-F133 AromaticContact CE2-CD1 3.44Å; Y67-F133 HydrophobicContact CE2-CD1 3.44Å; Y67-F133 VanDerWaalsContact CE2-CD1 3.44Å; Y67-F133 AromaticContact CE2-CE1 3.63Å; Y67-F133 HydrophobicContact CE2-CE1 3.63Å; Y67-F133 HydrophobicContact CE2-CG 4.37Å; Y67-F133 HydrophobicContact CG-CE1 4.09Å; Y67-F133 AromaticContact CZ-CD1 3.3Å; Y67-F133 AromaticContact CZ-CE1 3.11Å; Y67-F133 AromaticContact CZ-CZ 3.75Å; Y67-F133 WeakPolarHBondContact OH-CD1 3.18Å; Y67-F133 WeakPolarHBondContact OH-CE1 3.42Å; F98-F133 HydrophobicContact CB-CZ 4.47Å; V123-F133 HydrophobicContact CB-CD2 4.49Å; V123-F133 HydrophobicContact CG1-CB 3.84Å; V123-F133 HydrophobicContact CG2-CB 3.92Å; V123-F133 HydrophobicContact CG2-CD2 3.57Å; V123-F133 HydrophobicContact CG2-CE2 4.22Å; V123-F133 HydrophobicContact CG2-CG 3.85Å; K125-F133 CarbonylContact O-C 3.47Å; K125-F133 WeakPolarHBondContact O-CA 3.17Å; F133-T135 HydrophobicContact CD2-CG2 4.11Å; F133-T135 HydrophobicContact CE2-CG2 3.65Å
134	S	82.5	Confident	75.5	Confident	37 Å²	37	81.3 Å²	81.3	26%	0.259	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.6	169.5	-56.3	0	0	0	0	109.4	S63 D124 K125	S63-S134 WeakPolarHBondContact O-CA 3.39Å; S63-S134 PolarHBondContact O-OG 3.4Å; D124-S134 PolarHBondContact N-O 3.07Å; K125-S134 PolarHBondContact N-O 3.38Å; K125-S134 PolarHBondContact O-N 3.11Å
135	T	81.2	Confident	75	Confident	24 Å²	24	80.7 Å²	80.7	15%	0.147	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	153.9	176.4	55.8	0	0	0	0	110.2	F65 F98 F133 L137	F65-T135 HydrophobicContact CD2-CG2 3.71Å; F65-T135 HydrophobicContact CE2-CG2 3.78Å; F65-T135 WeakPolarHBondContact CE2-OG1 3.4Å; F98-T135 HydrophobicContact CD1-CG2 3.52Å; F98-T135 HydrophobicContact CE1-CG2 3.74Å; F133-T135 HydrophobicContact CD2-CG2 4.11Å; F133-T135 HydrophobicContact CE2-CG2 3.65Å; T135-L137 PolarHBondContact O-N 3.24Å
136	K	75.2	Confident	74.5	Confident	117 Å²	117	75.9 Å²	75.9	51%	0.509	46%	0.461	S	S	.	.			trans	-66.4	114.4	167.1	-64.5	170.5	-174.1	155.1	0	106.9	P121 Q122 V123 D124	P121-K136 PolarHBondContact O-NZ 3.03Å; Q122-K136 PolarHBondContact O-N 2.97Å; V123-K136 WeakPolarHBondContact O-CE 3.43Å; D124-K136 HydrophobicContact CB-CB 4.49Å; D124-K136 HydrophobicContact CB-CG 3.6Å
137	L	62.9	Low	74	Confident	160 Å²	160	74.2 Å²	74.2	84%	0.838	44%	0.443	S	S	*	.			trans	-77.7	117.5	164.1	-102.6	77.6	0	0	0	106.3	T135	T135-L137 PolarHBondContact O-N 3.24Å
138	D	51.1	Low	73.8	Confident	229 Å²	229	78.1 Å²	78.1	100%	1.225	46%	0.464	S	S	*	.			trans	-71.9	0	162	-68.9	-47.8	0	0	0	110.9

Retrieved 138 of 138 residues in 184.9 ms (Link to these results)

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