A0A3Q0KEJ3_SCHMA Loading...

Thioredoxin (Mitochondrial), Trx M

AlphaFold DB , UniProt , Accession A0A3Q0KEJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

						>A0A3Q0KEJ3_SCHMA|A0A3Q0KEJ3
MINFPSIRLLKCTVGSAFCSVPFSRLLSNTTTYPEYGIINIQDDSDFHKRVLNNPAPVIVDFHAKWCGPCKILGPRLENIMKSYMNSVLLAKVDIDQLDSVAEKYKIKVVPTVISIKNGKEIERFEGNKEEEFIRRRIENVLAHNG
					

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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	44.1	Very low	50.8	Low	243 Å²	243	173.6 Å²	173.6	100%	1.197	87%	0.871	S	S	*	*				0	107.6	0	-57.4	173	177.7	0	0	104.7
2	I	49.1	Very low	50	Low	168 Å²	168	169.4 Å²	169.4	86%	0.862	87%	0.868	S	S	*	*			cis	-139.6	138.9	29.9	-66.4	154.2	0	0	0	106.7
3	N	45.7	Very low	49.9	Very low	159 Å²	159	166.3 Å²	166.3	85%	0.85	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-98.4	130.6	-174.8	-148.8	-14.1	0	0	0	109.1
4	F	60.2	Low	50.2	Low	193 Å²	193	164 Å²	164	85%	0.846	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-82.3	139.7	177.6	-104.5	-94.8	0	0	0	110.5
5	P	64.2	Low	50.2	Low	116 Å²	116	156.9 Å²	156.9	75%	0.753	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.6	139.5	176.8	31.8	-31	0	0	0	111.5
6	S	55.1	Low	50.3	Low	119 Å²	119	154.9 Å²	154.9	83%	0.832	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-59.9	126.1	-178.2	-152.6	0	0	0	0	113	R8	S6-R8 PolarHBondContact O-N 2.94Å
7	I	54.6	Low	50.5	Low	160 Å²	160	150.7 Å²	150.7	82%	0.821	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.7	161.7	-70.1	165	0	0	0	107.5	L9	I7-L9 PolarHBondContact O-N 3.2Å
8	R	49.9	Very low	50.6	Low	233 Å²	233	154.3 Å²	154.3	88%	0.879	84%	0.84	S	S	*	*			trans	-77.6	112.2	176.2	-120	176.6	-178.9	-178.6	0.3	108.9	S6 L10	S6-R8 PolarHBondContact O-N 2.94Å; R8-L10 PolarHBondContact O-N 3.48Å
9	L	47.8	Very low	50.2	Low	160 Å²	160	151.8 Å²	151.8	84%	0.838	83%	0.834	S	S	*	*			trans	-60.7	120.7	166.2	-80.1	150.3	0	0	0	109.9	I7 K11	I7-L9 PolarHBondContact O-N 3.2Å; L9-K11 PolarHBondContact O-N 2.85Å
10	L	47	Very low	50.5	Low	165 Å²	165	150 Å²	150	86%	0.864	83%	0.832	S	S	*	*			trans	-73.7	117.5	158.2	-97	93.4	0	0	0	108.3	R8 C12	R8-L10 PolarHBondContact O-N 3.48Å; L10-C12 PolarHBondContact O-N 3.4Å
11	K	41.2	Very low	50.8	Low	194 Å²	194	148.7 Å²	148.7	84%	0.843	83%	0.828	S	S	*	*			trans	-78	110.7	165	-74.8	179.3	173.3	-179.2	0	108.4	L9	L9-K11 PolarHBondContact O-N 2.85Å
12	C	41.6	Very low	51.2	Low	123 Å²	123	141.5 Å²	141.5	83%	0.831	80%	0.8	S	S	*	*			trans	-90.6	113.9	159.2	-84.1	0	0	0	0	108.4	L10	L10-C12 PolarHBondContact O-N 3.4Å
13	T	48.1	Very low	51.7	Low	129 Å²	129	143.1 Å²	143.1	79%	0.791	80%	0.801	S	S	*	*			trans	-105.1	105.7	168	-32	0	0	0	0	106.3
14	V	54.5	Low	52	Low	134 Å²	134	140.1 Å²	140.1	81%	0.812	79%	0.792	S	S	*	*			trans	-135.1	111.5	165.6	-176.1	0	0	0	0	107.6
15	G	50.1	Low	51.2	Low	57 Å²	57	141.9 Å²	141.9	59%	0.588	79%	0.793	S	S	*	*			trans	-65.6	154.6	172	0	0	0	0	0	112	A17	G15-A17 PolarHBondContact O-N 3.46Å
16	S	51.5	Low	50.7	Low	125 Å²	125	143.9 Å²	143.9	87%	0.874	80%	0.797	S	S	*	*			trans	6.9	92	155.8	57.5	0	0	0	0	116.9
17	A	54	Low	50.7	Low	84 Å²	84	145.3 Å²	145.3	69%	0.694	80%	0.795	S	S	*	*			trans	-132	111	145.6	0	0	0	0	0	106.4	G15 C19	G15-A17 PolarHBondContact O-N 3.46Å; A17-C19 PolarHBondContact O-N 3.43Å
18	F	52.5	Low	50.4	Low	216 Å²	216	141.9 Å²	141.9	95%	0.947	78%	0.784	S	S	*	*			trans	-63.8	90.8	165.5	-84.7	-93.4	0	0	0	107.1	S20	F18-S20 PolarHBondContact O-N 3.46Å
19	C	43.3	Very low	50.4	Low	106 Å²	106	137.4 Å²	137.4	72%	0.716	78%	0.778	S	S	*	*			trans	-91	100.2	173.4	-149.1	0	0	0	0	107	A17 V21	A17-C19 PolarHBondContact O-N 3.43Å; C19-V21 VanDerWaalsContact C-N 3.26Å; C19-V21 PolarHBondContact O-N 3.42Å
20	S	54.9	Low	50.7	Low	115 Å²	115	134.9 Å²	134.9	80%	0.804	77%	0.77	S	S	*	*			trans	-65.8	89.6	164	44.7	0	0	0	0	108.1	F18 P22	F18-S20 PolarHBondContact O-N 3.46Å; S20-P22 WeakPolarHBondContact O-CD 3.35Å
21	V	58.2	Low	51	Low	123 Å²	123	131.9 Å²	131.9	75%	0.745	76%	0.758	S	S	*	*			trans	-69.6	117	173.2	-170.1	0	0	0	0	107.1	C19 F23	C19-V21 VanDerWaalsContact C-N 3.26Å; C19-V21 PolarHBondContact O-N 3.42Å; V21-F23 PolarHBondContact O-N 3.5Å
22	P	52.3	Low	52.4	Low	93 Å²	93	126.1 Å²	126.1	60%	0.604	74%	0.739	S	S	*	*			trans	-64.8	135.7	175.8	28.2	-32	0	0	0	108.5	S20 S24	S20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-S24 PolarHBondContact O-N 2.89Å
23	F	59.6	Low	54.3	Low	202 Å²	202	129.1 Å²	129.1	89%	0.886	73%	0.734	S	S	*	*	S	Bend	trans	-60.2	-2.1	-177.1	-174.3	-107.4	0	0	0	114.5	V21 R25	V21-F23 PolarHBondContact O-N 3.5Å; F23-R25 PolarHBondContact O-N 3.2Å
24	S	51.5	Low	56.1	Low	96 Å²	96	125.2 Å²	125.2	67%	0.671	71%	0.711	S	S	*	*			trans	-90.9	64.8	-175.9	44.7	0	0	0	0	112.5	P22	P22-S24 PolarHBondContact O-N 2.89Å
25	R	44.1	Very low	57.8	Low	230 Å²	230	121.8 Å²	121.8	87%	0.868	69%	0.686	S	S	*	*			trans	-163.3	59.9	165.8	-111.5	175.6	-158	-150.6	5.7	113	F23	F23-R25 PolarHBondContact O-N 3.2Å
26	L	53.8	Low	59.8	Low	157 Å²	157	123.5 Å²	123.5	82%	0.822	68%	0.676	S	S	*	*			trans	-105.3	68.1	153.8	-96.3	154.8	0	0	0	107.9	S28	L26-S28 PolarHBondContact O-N 3.08Å; L26-S28 VanDerWaalsContact O-N 3.08Å
27	L	54.9	Low	61.9	Low	150 Å²	150	118.1 Å²	118.1	79%	0.785	64%	0.64	S	S	*	*			trans	-73.3	90	152.8	-68.7	175.7	0	0	0	105.1	N29	L27-N29 PolarHBondContact O-N 2.84Å
28	S	48.1	Very low	63.9	Low	87 Å²	87	117 Å²	117	61%	0.608	62%	0.622	S	S	*	*			trans	-67.1	90.2	166.7	-172.4	0	0	0	0	106.7	L26 T30	L26-S28 PolarHBondContact O-N 3.08Å; L26-S28 VanDerWaalsContact O-N 3.08Å; S28-T30 PolarHBondContact O-N 2.88Å
29	N	49	Very low	66.1	Low	140 Å²	140	107.5 Å²	107.5	75%	0.749	58%	0.581	S	S	*	*			trans	-64.9	88	157.9	-82	-3.2	0	0	0	105.8	L27 T31	L27-N29 PolarHBondContact O-N 2.84Å; N29-T31 PolarHBondContact O-N 2.86Å
30	T	53.7	Low	68.7	Low	107 Å²	107	106.7 Å²	106.7	66%	0.656	57%	0.569	S	S	*	*			trans	-66.9	87.2	165.3	51.8	0	0	0	0	106.5	S28 T32	S28-T30 PolarHBondContact O-N 2.88Å; T30-T32 PolarHBondContact O-N 3.05Å
31	T	54.1	Low	70.8	Confident	102 Å²	102	101.7 Å²	101.7	63%	0.626	53%	0.533	S	S	*	.			trans	-61.7	97.3	159.1	46.3	0	0	0	0	106	N29 Y33	N29-T31 PolarHBondContact O-N 2.86Å; T31-Y33 PolarHBondContact O-N 2.91Å
32	T	70.6	Confident	72.7	Confident	72 Å²	72	102.2 Å²	102.2	44%	0.442	53%	0.528	S	S	.	.			trans	-66.6	106.2	176.7	-55.8	0	0	0	0	107.3	T30 P55	T30-T32 PolarHBondContact O-N 3.05Å; T32-P55 WeakPolarHBondContact O-CG 3.33Å
33	Y	81.1	Confident	74.8	Confident	187 Å²	187	101.5 Å²	101.5	73%	0.733	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-64.3	142.7	168.7	-71.1	-81.9	0	0	0	109	T31 E35	T31-Y33 PolarHBondContact O-N 2.91Å; Y33-E35 PolarHBondContact O-N 2.88Å
34	P	85.9	Confident	76.7	Confident	46 Å²	46	96 Å²	96	30%	0.299	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-55.9	127.3	172.9	24	-32.2	0	0	0	109.6	Y36 P55 A56	P34-Y36 HydrophobicContact CB-CE1 4.21Å; P34-Y36 HydrophobicContact CB-CE2 3.81Å; P34-Y36 WeakPolarHBondContact CB-OH 3.35Å; P34-Y36 HydrophobicContact CG-CE2 3.76Å; P34-Y36 WeakPolarHBondContact CG-OH 3.29Å; P34-P55 HydrophobicContact CB-CB 4.24Å; P34-A56 HydrophobicContact CB-CB 3.84Å
35	E	90.4	Very high	78.9	Confident	63 Å²	63	95.8 Å²	95.8	29%	0.294	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-89.7	137.9	171.1	-170.3	174.9	178.1	0	0	108.2	Y33 R50 N54 L89	Y33-E35 PolarHBondContact O-N 2.88Å; E35-R50 IonicContact OE1-CZ 3.86Å; E35-R50 IonicContact OE1-NE 2.94Å; E35-R50 PolarHBondContact OE1-NE 3.38Å; E35-R50 VanDerWaalsContact OE1-NE 3.13Å; E35-R50 IonicContact OE1-NH2 3.93Å; E35-R50 PolarHBondContact OE1-NH2 2.77Å; E35-R50 VanDerWaalsContact OE2-CG 3.29Å; E35-R50 WeakPolarHBondContact OE2-CG 3.37Å; E35-R50 IonicContact OE2-CZ 3.25Å; E35-R50 IonicContact OE2-NE 2.67Å; E35-R50 PolarHBondContact OE2-NE 3.26Å; E35-R50 IonicContact OE2-NH2 3.04Å; E35-N54 PolarHBondContact N-OD1 3.21Å; E35-N54 PolarHBondContact O-ND2 3.02Å; E35-L89 HydrophobicContact CB-CD2 4.47Å; E35-L89 HydrophobicContact CG-CD1 4.14Å; E35-L89 WeakPolarHBondContact O-CB 3.31Å
36	Y	93.1	Very high	81.4	Confident	92 Å²	92	86.2 Å²	86.2	36%	0.361	46%	0.463	S	S	.	.			trans	-130.8	171	176.5	-50	-81.5	0	0	0	110.5	P34 A56 M85 N86	P34-Y36 HydrophobicContact CB-CE1 4.21Å; P34-Y36 HydrophobicContact CB-CE2 3.81Å; P34-Y36 WeakPolarHBondContact CB-OH 3.35Å; P34-Y36 HydrophobicContact CG-CE2 3.76Å; P34-Y36 WeakPolarHBondContact CG-OH 3.29Å; Y36-A56 HydrophobicContact CD1-CB 3.9Å; Y36-A56 HydrophobicContact CE1-CB 3.48Å; Y36-A56 VanDerWaalsContact CE1-CB 3.48Å; Y36-M85 WeakPolarHBondContact CB-O 3.35Å; Y36-N86 VanDerWaalsContact CD1-C 3.4Å; Y36-N86 VanDerWaalsContact CE1-C 3.42Å; Y36-N86 WeakPolarHBondContact CE1-O 3.26Å; Y36-N86 VanDerWaalsContact CZ-O 3.28Å
37	G	94.6	Very high	83.5	Confident	12 Å²	12	79 Å²	79	12%	0.124	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.8	-148.6	178.6	0	0	0	0	0	112.9	L90	G37-L90 PolarHBondContact O-N 3.13Å
38	I	97	Very high	85.6	Confident	62 Å²	62	76.2 Å²	76.2	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.7	-177.4	-55.2	166.6	0	0	0	108.2	E78 M81 M85 L90 K92	I38-E78 HydrophobicContact CD1-CB 3.88Å; I38-E78 HydrophobicContact CD1-CG 3.99Å; I38-E78 HydrophobicContact CG2-CG 4.26Å; I38-M81 HydrophobicContact CD1-CB 4.41Å; I38-M81 HydrophobicContact CG1-CB 4.37Å; I38-M85 HydrophobicContact CD1-CE 3.71Å; I38-M85 HydrophobicContact CG1-CE 4.1Å; I38-L90 WeakPolarHBondContact CA-O 3.22Å; I38-L90 HydrophobicContact CG1-CB 4.21Å; I38-L90 HydrophobicContact CG1-CD2 4.16Å; I38-L90 HydrophobicContact CG2-CB 4.48Å; I38-L90 HydrophobicContact CG2-CD2 3.96Å; I38-L90 HydrophobicContact CG2-CG 4.27Å; I38-K92 HydrophobicContact CG2-CD 4.1Å
39	I	97.3	Very high	87.9	Confident	16 Å²	16	78.6 Å²	78.6	8%	0.082	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.9	-172.5	68	164.5	0	0	0	110.8	I41 R50 L89 L90 A91 K92	I39-I41 HydrophobicContact CD1-CD1 3.58Å; I39-I41 HydrophobicContact CG1-CD1 4.19Å; I39-R50 HydrophobicContact CD1-CB 4.01Å; I39-L89 HydrophobicContact CD1-CD1 4.06Å; I39-L89 HydrophobicContact CD1-CD2 3.7Å; I39-L89 HydrophobicContact CD1-CG 4.18Å; I39-L89 HydrophobicContact CG1-CD1 3.96Å; I39-L89 HydrophobicContact CG1-CD2 4.34Å; I39-L89 HydrophobicContact CG1-CG 4.29Å; I39-L89 HydrophobicContact CG2-CD1 3.83Å; I39-L90 WeakPolarHBondContact CG1-O 3.5Å; I39-L90 PolarHBondContact N-O 3.28Å; I39-A91 HydrophobicContact CD1-CB 4.28Å; I39-A91 HydrophobicContact CG1-CB 4.11Å; I39-K92 WeakPolarHBondContact O-CB 3.33Å; I39-K92 PolarHBondContact O-N 2.97Å
40	N	98.3	Very high	90.2	Very high	89 Å²	89	74.1 Å²	74.1	48%	0.476	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.1	166.5	-59	-51.8	0	0	0	108.1	Q42	N40-Q42 PolarHBondContact O-NE2 3.4Å
41	I	98.5	Very high	92.3	Very high	10 Å²	10	69 Å²	69	5%	0.051	35%	0.349	C	S	.	.			trans	-75.4	134	175.6	-59.5	-51.4	0	0	0	109.3	I39 D46 F47 V51 A91 K92 V93 L98	I39-I41 HydrophobicContact CD1-CD1 3.58Å; I39-I41 HydrophobicContact CG1-CD1 4.19Å; I41-D46 HydrophobicContact CG2-CB 4.4Å; I41-F47 HydrophobicContact CG1-CD2 4.32Å; I41-F47 HydrophobicContact CG2-CB 3.77Å; I41-F47 HydrophobicContact CG2-CD2 4.16Å; I41-F47 HydrophobicContact CG2-CG 4.49Å; I41-V51 HydrophobicContact CD1-CG2 3.83Å; I41-V51 HydrophobicContact CG1-CG2 4.29Å; I41-A91 HydrophobicContact CD1-CB 4Å; I41-A91 HydrophobicContact CG1-CB 4.05Å; I41-K92 PolarHBondContact N-O 2.96Å; I41-V93 HydrophobicContact CB-CG2 4.14Å; I41-V93 HydrophobicContact CG1-CG2 3.87Å; I41-L98 HydrophobicContact CB-CD1 4.27Å; I41-L98 HydrophobicContact CG2-CD1 4.17Å; I41-L98 HydrophobicContact CG2-CD2 3.91Å; I41-L98 WeakPolarHBondContact O-CD1 3.48Å
42	Q	98	Very high	94.3	Very high	134 Å²	134	65.3 Å²	65.3	63%	0.626	33%	0.325	S	S	*	.			trans	-96.2	-39.2	-175.1	-56.9	-54.6	-65.4	0	0	113.5	N40 D46	N40-Q42 PolarHBondContact O-NE2 3.4Å; Q42-D46 HydrophobicContact CB-CB 4.42Å; Q42-D46 PolarHBondContact N-OD2 2.89Å
43	D	98.2	Very high	95.5	Very high	78 Å²	78	66 Å²	66	42%	0.417	33%	0.326	S	S	.	.	S	Bend	trans	-156.8	177.9	-177.3	59.2	51.7	0	0	0	111.1	S45 D46 F47 L98	D43-S45 VanDerWaalsContact C-N 3.27Å; D43-S45 PolarHBondContact O-N 2.94Å; D43-S45 WeakPolarHBondContact OD1-CA 3.17Å; D43-S45 VanDerWaalsContact OD1-CB 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 3.29Å; D43-D46 PolarHBondContact O-N 2.94Å; D43-D46 PolarHBondContact OD1-N 3.28Å; D43-F47 PolarHBondContact O-N 3.18Å; D43-L98 VanDerWaalsContact C-CD2 3.49Å
44	D	97.8	Very high	96.3	Very high	87 Å²	87	57.4 Å²	57.4	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-34.4	177.7	-65.7	-109.6	0	0	0	113.7	H48 S100	D44-H48 WeakPolarHBondContact O-CB 2.94Å; D44-H48 PolarHBondContact O-N 2.9Å; D44-S100 VanDerWaalsContact CG-OG 3.23Å; D44-S100 WeakPolarHBondContact OD1-CB 3.49Å; D44-S100 PolarHBondContact OD1-OG 3.32Å; D44-S100 PolarHBondContact OD2-OG 2.7Å; D44-S100 VanDerWaalsContact OD2-OG 3.08Å
45	S	97.6	Very high	96.6	Very high	91 Å²	91	58.4 Å²	58.4	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-70.3	-43.1	179.3	-165.8	0	0	0	0	110.5	D43 F47 H48 K49	D43-S45 VanDerWaalsContact C-N 3.27Å; D43-S45 PolarHBondContact O-N 2.94Å; D43-S45 WeakPolarHBondContact OD1-CA 3.17Å; D43-S45 VanDerWaalsContact OD1-CB 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 3.29Å; S45-F47 VanDerWaalsContact C-N 3.34Å; S45-H48 PolarHBondContact O-N 3.48Å; S45-K49 WeakPolarHBondContact O-CB 3.17Å; S45-K49 PolarHBondContact O-N 3.13Å
46	D	98	Very high	96.8	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.15	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-44.2	174.9	-162.1	47.5	0	0	0	110.7	I41 Q42 D43 H48 K49 R50	I41-D46 HydrophobicContact CG2-CB 4.4Å; Q42-D46 HydrophobicContact CB-CB 4.42Å; Q42-D46 PolarHBondContact N-OD2 2.89Å; D43-D46 PolarHBondContact O-N 2.94Å; D43-D46 PolarHBondContact OD1-N 3.28Å; D46-H48 PolarHBondContact O-N 2.97Å; D46-K49 PolarHBondContact O-N 3.33Å; D46-R50 WeakPolarHBondContact O-CB 2.83Å; D46-R50 PolarHBondContact O-N 3.4Å; D46-R50 WeakPolarHBondContact OD1-CD 3.45Å; D46-R50 IonicContact OD1-NE 2.7Å; D46-R50 IonicContact OD1-NH1 3.36Å; D46-R50 PolarHBondContact OD1-NH1 3.28Å; D46-R50 IonicContact OD2-NH1 2.88Å; D46-R50 PolarHBondContact OD2-NH1 2.9Å
47	F	98.2	Very high	97	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-50.2	173.7	-171.1	-89.3	0	0	0	111.2	I41 D43 S45 K49 V51 L52 V60 V93 V101 Y105 I116	I41-F47 HydrophobicContact CG1-CD2 4.32Å; I41-F47 HydrophobicContact CG2-CB 3.77Å; I41-F47 HydrophobicContact CG2-CD2 4.16Å; I41-F47 HydrophobicContact CG2-CG 4.49Å; D43-F47 PolarHBondContact O-N 3.18Å; S45-F47 VanDerWaalsContact C-N 3.34Å; F47-K49 VanDerWaalsContact C-N 3.34Å; F47-K49 PolarHBondContact O-N 2.89Å; F47-V51 HydrophobicContact CD1-CB 4.37Å; F47-V51 HydrophobicContact CD2-CB 4.2Å; F47-V51 HydrophobicContact CD2-CG2 3.8Å; F47-V51 HydrophobicContact CE1-CB 4.23Å; F47-V51 HydrophobicContact CE1-CG1 4.18Å; F47-V51 HydrophobicContact CE2-CB 4.08Å; F47-V51 HydrophobicContact CE2-CG1 3.98Å; F47-V51 HydrophobicContact CE2-CG2 3.89Å; F47-V51 HydrophobicContact CG-CB 4.35Å; F47-V51 HydrophobicContact CG-CG2 4.27Å; F47-V51 HydrophobicContact CZ-CB 4.09Å; F47-V51 HydrophobicContact CZ-CG1 3.75Å; F47-V51 HydrophobicContact CZ-CG2 4.41Å; F47-V51 WeakPolarHBondContact O-CA 3.49Å; F47-V51 WeakPolarHBondContact O-CB 3.41Å; F47-V51 PolarHBondContact O-N 2.87Å; F47-L52 HydrophobicContact CD1-CD1 4.31Å; F47-L52 HydrophobicContact CD1-CG 4.11Å; F47-L52 HydrophobicContact CE1-CD1 4.24Å; F47-L52 HydrophobicContact CE1-CD2 3.95Å; F47-L52 HydrophobicContact CE1-CG 3.87Å; F47-L52 PolarHBondContact O-N 3.3Å; F47-V60 HydrophobicContact CE2-CG1 4.19Å; F47-V93 HydrophobicContact CD2-CG2 4.09Å; F47-V93 HydrophobicContact CE2-CG2 4.03Å; F47-V101 HydrophobicContact CB-CG2 4.35Å; F47-V101 HydrophobicContact CD1-CG1 4.1Å; F47-V101 HydrophobicContact CD2-CG1 3.64Å; F47-V101 HydrophobicContact CE1-CG1 4.07Å; F47-V101 HydrophobicContact CE2-CG1 3.58Å; F47-V101 HydrophobicContact CG-CG1 3.9Å; F47-V101 HydrophobicContact CG-CG2 4.29Å; F47-V101 HydrophobicContact CZ-CG1 3.81Å; F47-Y105 AromaticContact CE1-CE2 3.5Å; F47-Y105 HydrophobicContact CE1-CE2 3.5Å; F47-Y105 AromaticContact CE1-CZ 3.97Å; F47-Y105 HydrophobicContact CZ-CD2 4.22Å; F47-Y105 AromaticContact CZ-CE2 3.43Å; F47-Y105 HydrophobicContact CZ-CE2 3.43Å; F47-Y105 VanDerWaalsContact CZ-CE2 3.43Å; F47-Y105 AromaticContact CZ-CZ 3.84Å; F47-I116 HydrophobicContact CZ-CD1 4.41Å
48	H	97.2	Very high	97.1	Very high	93 Å²	93	51.3 Å²	51.3	43%	0.431	27%	0.268	S	S	.	.	I	π-helix	trans	-60.2	-45	179.7	-171.9	-73.5	0	0	0	111.9	D44 S45 D46 L52 N53	D44-H48 WeakPolarHBondContact O-CB 2.94Å; D44-H48 PolarHBondContact O-N 2.9Å; S45-H48 PolarHBondContact O-N 3.48Å; D46-H48 PolarHBondContact O-N 2.97Å; H48-L52 WeakPolarHBondContact O-CB 3.49Å; H48-L52 PolarHBondContact O-N 3.34Å; H48-N53 PolarHBondContact CE1-ND2 3.34Å; H48-N53 VanDerWaalsContact CE1-ND2 3.29Å; H48-N53 PolarHBondContact ND1-ND2 3.49Å; H48-N53 WeakPolarHBondContact O-CB 3.27Å; H48-N53 PolarHBondContact O-N 2.94Å
49	K	96.9	Very high	97.2	Very high	137 Å²	137	48.5 Å²	48.5	60%	0.596	25%	0.254	S	S	*	.	I	π-helix	trans	-68.4	-46	-177.2	-179.7	-179.1	173.3	-172.9	0	112.8	S45 D46 F47	S45-K49 WeakPolarHBondContact O-CB 3.17Å; S45-K49 PolarHBondContact O-N 3.13Å; D46-K49 PolarHBondContact O-N 3.33Å; F47-K49 VanDerWaalsContact C-N 3.34Å; F47-K49 PolarHBondContact O-N 2.89Å
50	R	97.3	Very high	97.2	Very high	45 Å²	45	47.8 Å²	47.8	17%	0.17	25%	0.25	C	C	.	.	I	π-helix	trans	-102.3	-15.8	-167.3	-60.2	169.9	71.9	-165.5	11	114	E35 I39 D46 N54 L89	E35-R50 IonicContact OE1-CZ 3.86Å; E35-R50 IonicContact OE1-NE 2.94Å; E35-R50 PolarHBondContact OE1-NE 3.38Å; E35-R50 VanDerWaalsContact OE1-NE 3.13Å; E35-R50 IonicContact OE1-NH2 3.93Å; E35-R50 PolarHBondContact OE1-NH2 2.77Å; E35-R50 VanDerWaalsContact OE2-CG 3.29Å; E35-R50 WeakPolarHBondContact OE2-CG 3.37Å; E35-R50 IonicContact OE2-CZ 3.25Å; E35-R50 IonicContact OE2-NE 2.67Å; E35-R50 PolarHBondContact OE2-NE 3.26Å; E35-R50 IonicContact OE2-NH2 3.04Å; I39-R50 HydrophobicContact CD1-CB 4.01Å; D46-R50 WeakPolarHBondContact O-CB 2.83Å; D46-R50 PolarHBondContact O-N 3.4Å; D46-R50 WeakPolarHBondContact OD1-CD 3.45Å; D46-R50 IonicContact OD1-NE 2.7Å; D46-R50 IonicContact OD1-NH1 3.36Å; D46-R50 PolarHBondContact OD1-NH1 3.28Å; D46-R50 IonicContact OD2-NH1 2.88Å; D46-R50 PolarHBondContact OD2-NH1 2.9Å; R50-N54 VanDerWaalsContact O-CB 3.27Å; R50-N54 WeakPolarHBondContact O-CB 3.15Å; R50-N54 PolarHBondContact O-ND2 3.33Å; R50-L89 WeakPolarHBondContact O-CD2 3.44Å
51	V	97.6	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.228	C	C	.	.	I	π-helix	trans	-106.4	-59.6	175.3	-176	0	0	0	0	110.5	I41 F47 V58 V60 A91 I116	I41-V51 HydrophobicContact CD1-CG2 3.83Å; I41-V51 HydrophobicContact CG1-CG2 4.29Å; F47-V51 HydrophobicContact CD1-CB 4.37Å; F47-V51 HydrophobicContact CD2-CB 4.2Å; F47-V51 HydrophobicContact CD2-CG2 3.8Å; F47-V51 HydrophobicContact CE1-CB 4.23Å; F47-V51 HydrophobicContact CE1-CG1 4.18Å; F47-V51 HydrophobicContact CE2-CB 4.08Å; F47-V51 HydrophobicContact CE2-CG1 3.98Å; F47-V51 HydrophobicContact CE2-CG2 3.89Å; F47-V51 HydrophobicContact CG-CB 4.35Å; F47-V51 HydrophobicContact CG-CG2 4.27Å; F47-V51 HydrophobicContact CZ-CB 4.09Å; F47-V51 HydrophobicContact CZ-CG1 3.75Å; F47-V51 HydrophobicContact CZ-CG2 4.41Å; F47-V51 WeakPolarHBondContact O-CA 3.49Å; F47-V51 WeakPolarHBondContact O-CB 3.41Å; F47-V51 PolarHBondContact O-N 2.87Å; V51-V58 HydrophobicContact CB-CG1 4.48Å; V51-V58 HydrophobicContact CG1-CB 4.27Å; V51-V58 HydrophobicContact CG1-CG1 3.97Å; V51-V58 HydrophobicContact CG2-CG1 4.32Å; V51-V60 HydrophobicContact CG1-CG2 3.67Å; V51-A91 HydrophobicContact CG2-CB 3.76Å; V51-I116 HydrophobicContact CG1-CD1 3.65Å
52	L	97	Very high	97.3	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.126	23%	0.225	C	C	.	.	I	π-helix	trans	-72.5	-39.2	-172.5	-61.9	-178.2	0	0	0	113.1	F47 H48 Y105 G119	F47-L52 HydrophobicContact CD1-CD1 4.31Å; F47-L52 HydrophobicContact CD1-CG 4.11Å; F47-L52 HydrophobicContact CE1-CD1 4.24Å; F47-L52 HydrophobicContact CE1-CD2 3.95Å; F47-L52 HydrophobicContact CE1-CG 3.87Å; F47-L52 PolarHBondContact O-N 3.3Å; H48-L52 WeakPolarHBondContact O-CB 3.49Å; H48-L52 PolarHBondContact O-N 3.34Å; L52-Y105 WeakPolarHBondContact CD2-OH 3.47Å; L52-G119 VanDerWaalsContact O-CA 3.23Å; L52-G119 WeakPolarHBondContact O-CA 3.39Å; L52-G119 PolarHBondContact O-N 2.96Å
53	N	96.6	Very high	97.3	Very high	86 Å²	86	38.2 Å²	38.2	46%	0.46	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.9	-178.6	-71.8	-9.6	0	0	0	113.6	H48 P55	H48-N53 PolarHBondContact CE1-ND2 3.34Å; H48-N53 VanDerWaalsContact CE1-ND2 3.29Å; H48-N53 PolarHBondContact ND1-ND2 3.49Å; H48-N53 WeakPolarHBondContact O-CB 3.27Å; H48-N53 PolarHBondContact O-N 2.94Å; N53-P55 VanDerWaalsContact O-CD 3.31Å; N53-P55 WeakPolarHBondContact O-CD 3.47Å
54	N	96.1	Very high	97.3	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	18%	0.183	C	C	.	.			trans	-74.2	125.1	179.2	-166.6	-15.9	0	0	0	110.3	E35 R50 A56 V58 L89	E35-N54 PolarHBondContact N-OD1 3.21Å; E35-N54 PolarHBondContact O-ND2 3.02Å; R50-N54 VanDerWaalsContact O-CB 3.27Å; R50-N54 WeakPolarHBondContact O-CB 3.15Å; R50-N54 PolarHBondContact O-ND2 3.33Å; N54-A56 PolarHBondContact O-N 3.08Å; N54-A56 PolarHBondContact OD1-N 3.18Å; N54-V58 HydrophobicContact CB-CG2 3.78Å; N54-L89 WeakPolarHBondContact ND2-CD2 3.23Å
55	P	93.5	Very high	97.3	Very high	67 Å²	67	37.6 Å²	37.6	44%	0.435	19%	0.192	S	C	.	.	S	Bend	trans	-62.7	-29.1	172.6	-20.7	29.7	0	0	0	113.7	T32 P34 N53	T32-P55 WeakPolarHBondContact O-CG 3.33Å; P34-P55 HydrophobicContact CB-CB 4.24Å; N53-P55 VanDerWaalsContact O-CD 3.31Å; N53-P55 WeakPolarHBondContact O-CD 3.47Å
56	A	94.6	Very high	97.3	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	19%	0.192	C	C	.	.	S	Bend	trans	-79.4	150.5	174.9	0	0	0	0	0	110.9	P34 Y36 N54 V58	P34-A56 HydrophobicContact CB-CB 3.84Å; Y36-A56 HydrophobicContact CD1-CB 3.9Å; Y36-A56 HydrophobicContact CE1-CB 3.48Å; Y36-A56 VanDerWaalsContact CE1-CB 3.48Å; N54-A56 PolarHBondContact O-N 3.08Å; N54-A56 PolarHBondContact OD1-N 3.18Å; A56-V58 WeakPolarHBondContact O-CG2 3.43Å
57	P	96.5	Very high	97.3	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.071	19%	0.187	C	C	.	.			trans	-59.6	144.9	167.5	-17.5	29.5	0	0	0	111.7	V88 L89 I116 K117 V141 L142	P57-V88 WeakPolarHBondContact O-CA 3.29Å; P57-V88 WeakPolarHBondContact O-CG1 3.34Å; P57-L89 PolarHBondContact O-N 2.72Å; P57-I116 WeakPolarHBondContact CA-O 3.23Å; P57-K117 HydrophobicContact CB-CG 4.44Å; P57-K117 HydrophobicContact CG-CD 4.09Å; P57-K117 HydrophobicContact CG-CG 4.26Å; P57-V141 HydrophobicContact CB-CG1 3.43Å; P57-V141 VanDerWaalsContact CB-CG1 3.43Å; P57-V141 HydrophobicContact CG-CG1 4.21Å; P57-L142 HydrophobicContact CG-CD2 4.43Å
58	V	97.6	Very high	97.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.9	-176.1	-170.5	0	0	0	0	109.6	V51 N54 A56 V60 L89 A91 I116	V51-V58 HydrophobicContact CB-CG1 4.48Å; V51-V58 HydrophobicContact CG1-CB 4.27Å; V51-V58 HydrophobicContact CG1-CG1 3.97Å; V51-V58 HydrophobicContact CG2-CG1 4.32Å; N54-V58 HydrophobicContact CB-CG2 3.78Å; A56-V58 WeakPolarHBondContact O-CG2 3.43Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V58-L89 CarbonylContact C-O 3.46Å; V58-L89 WeakPolarHBondContact CA-O 3.44Å; V58-L89 HydrophobicContact CB-CB 4.46Å; V58-L89 HydrophobicContact CG1-CB 4.13Å; V58-L89 HydrophobicContact CG1-CD2 4.04Å; V58-L89 HydrophobicContact CG1-CG 4.17Å; V58-L89 HydrophobicContact CG2-CB 4.16Å; V58-L89 HydrophobicContact CG2-CD2 4.18Å; V58-A91 HydrophobicContact CG1-CB 3.85Å; V58-I116 PolarHBondContact N-O 2.93Å; V58-I116 PolarHBondContact O-N 2.91Å
59	I	98	Very high	97.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.2	166.9	-58.6	-62.4	0	0	0	106.8	V88 L89 L90 A91 V113 S115 I138	I59-V88 HydrophobicContact CB-CG1 4.45Å; I59-V88 HydrophobicContact CG1-CG1 3.59Å; I59-L89 PolarHBondContact N-O 3.04Å; I59-L90 HydrophobicContact CB-CD1 4.23Å; I59-L90 HydrophobicContact CG2-CD1 3.99Å; I59-L90 CarbonylContact O-C 3.57Å; I59-L90 WeakPolarHBondContact O-CA 3.24Å; I59-A91 PolarHBondContact O-N 3.13Å; I59-V113 HydrophobicContact CG2-CG1 3.46Å; I59-V113 VanDerWaalsContact CG2-CG1 3.46Å; I59-S115 VanDerWaalsContact CD1-OG 3.29Å; I59-S115 WeakPolarHBondContact CD1-OG 3.4Å; I59-I138 HydrophobicContact CD1-CG1 4.34Å; I59-I138 HydrophobicContact CG1-CG1 4.29Å
60	V	98.6	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	179.7	-170.2	0	0	0	0	109.1	F47 V51 V58 F62 A91 V93 V113 I114 I116	F47-V60 HydrophobicContact CE2-CG1 4.19Å; V51-V60 HydrophobicContact CG1-CG2 3.67Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V60-F62 HydrophobicContact CB-CD2 4.41Å; V60-F62 HydrophobicContact CB-CE2 3.91Å; V60-F62 HydrophobicContact CG1-CD2 3.85Å; V60-F62 HydrophobicContact CG1-CE1 4.42Å; V60-F62 HydrophobicContact CG1-CE2 3.38Å; V60-F62 HydrophobicContact CG1-CZ 3.73Å; V60-A91 CarbonylContact C-O 3.56Å; V60-A91 VanDerWaalsContact CA-O 3.26Å; V60-A91 WeakPolarHBondContact CA-O 3.4Å; V60-A91 HydrophobicContact CG2-CB 4.44Å; V60-V93 HydrophobicContact CG1-CB 4.37Å; V60-V93 HydrophobicContact CG1-CG2 3.59Å; V60-V113 CarbonylContact O-C 3.54Å; V60-V113 VanDerWaalsContact O-CA 3.23Å; V60-V113 WeakPolarHBondContact O-CA 3.4Å; V60-I114 PolarHBondContact N-O 3.13Å; V60-I114 PolarHBondContact O-N 3.07Å; V60-I116 HydrophobicContact CG2-CD1 3.75Å; V60-I116 HydrophobicContact CG2-CG1 4.31Å
61	D	98.7	Very high	97.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	102	173.6	177.5	28.5	0	0	0	109.8	H63 L77 L90 A91 V93	D61-H63 IonicContact OD2-CD2 3.13Å; D61-L77 HydrophobicContact CB-CD1 3.96Å; D61-L90 HydrophobicContact CB-CD1 4.16Å; D61-A91 PolarHBondContact N-O 3.41Å; D61-V93 PolarHBondContact O-N 3.21Å
62	F	98.9	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.2	171.3	-66.5	-92.2	0	0	0	109.2	V60 V93 I95 V101 Y105 I107 V110 P111 T112 I114	V60-F62 HydrophobicContact CB-CD2 4.41Å; V60-F62 HydrophobicContact CB-CE2 3.91Å; V60-F62 HydrophobicContact CG1-CD2 3.85Å; V60-F62 HydrophobicContact CG1-CE1 4.42Å; V60-F62 HydrophobicContact CG1-CE2 3.38Å; V60-F62 HydrophobicContact CG1-CZ 3.73Å; F62-V93 WeakPolarHBondContact CA-O 3.39Å; F62-V93 HydrophobicContact CD1-CB 3.78Å; F62-V93 HydrophobicContact CD1-CG1 3.57Å; F62-V93 HydrophobicContact CD1-CG2 4.5Å; F62-V93 HydrophobicContact CE1-CB 4.02Å; F62-V93 HydrophobicContact CE1-CG1 3.67Å; F62-V93 HydrophobicContact CE1-CG2 4.3Å; F62-V93 HydrophobicContact CG-CB 4.38Å; F62-I95 HydrophobicContact CB-CG2 4.03Å; F62-I95 HydrophobicContact CD1-CG2 4.08Å; F62-V101 HydrophobicContact CE1-CG1 4.07Å; F62-V101 HydrophobicContact CZ-CG1 4.43Å; F62-Y105 HydrophobicContact CZ-CD2 4.08Å; F62-Y105 AromaticContact CZ-CG 3.98Å; F62-Y105 HydrophobicContact CZ-CG 3.98Å; F62-I107 HydrophobicContact CB-CD1 4.31Å; F62-I107 HydrophobicContact CB-CG1 4.34Å; F62-I107 HydrophobicContact CB-CG2 4.17Å; F62-I107 HydrophobicContact CD1-CD1 4.09Å; F62-I107 HydrophobicContact CD1-CG1 3.68Å; F62-I107 HydrophobicContact CD2-CD1 3.65Å; F62-I107 HydrophobicContact CD2-CG1 4.19Å; F62-I107 HydrophobicContact CE1-CD1 4.27Å; F62-I107 HydrophobicContact CE1-CG1 3.9Å; F62-I107 HydrophobicContact CE2-CD1 3.87Å; F62-I107 HydrophobicContact CE2-CG1 4.41Å; F62-I107 HydrophobicContact CG-CD1 3.75Å; F62-I107 HydrophobicContact CG-CG1 3.81Å; F62-I107 HydrophobicContact CZ-CD1 4.17Å; F62-I107 HydrophobicContact CZ-CG1 4.27Å; F62-V110 WeakPolarHBondContact O-CG1 3.35Å; F62-P111 WeakPolarHBondContact O-CA 3.45Å; F62-T112 WeakPolarHBondContact CB-O 3.09Å; F62-T112 PolarHBondContact N-O 2.93Å; F62-T112 PolarHBondContact O-N 2.98Å; F62-T112 VanDerWaalsContact O-N 3.16Å; F62-I114 HydrophobicContact CD2-CD1 4.27Å; F62-I114 HydrophobicContact CD2-CG1 4.2Å; F62-I114 HydrophobicContact CE2-CB 4.3Å; F62-I114 HydrophobicContact CE2-CD1 3.66Å; F62-I114 HydrophobicContact CE2-CG1 3.88Å; F62-I114 HydrophobicContact CZ-CD1 4.43Å
63	H	98.7	Very high	97.4	Very high	30 Å²	30	42.7 Å²	42.7	14%	0.139	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	172	-175.1	71.6	72.4	0	0	0	111.9	D61 C70 V93 D94 I95	D61-H63 IonicContact OD2-CD2 3.13Å; H63-C70 HydrophobicContact CB-CB 4.11Å; H63-V93 PolarHBondContact N-O 2.94Å; H63-D94 WeakPolarHBondContact O-CA 3.42Å; H63-I95 PolarHBondContact O-N 2.83Å
64	A	98.4	Very high	97.5	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.2	C	C	.	.			trans	-141.2	153.9	169	0	0	0	0	0	110.5	W66 C67 I95 V110	A64-W66 VanDerWaalsContact C-N 3.3Å; A64-W66 HydrophobicContact CB-CD2 3.91Å; A64-W66 HydrophobicContact CB-CG 4.29Å; A64-W66 HydrophobicContact CB-CH2 4.28Å; A64-W66 HydrophobicContact CB-CZ2 3.57Å; A64-W66 PolarHBondContact O-N 3.15Å; A64-C67 HydrophobicContact CB-CB 4.29Å; A64-C67 WeakPolarHBondContact O-CB 3.3Å; A64-C67 PolarHBondContact O-N 2.89Å; A64-I95 HydrophobicContact CB-CD1 4.34Å; A64-I95 HydrophobicContact CB-CG1 3.94Å; A64-V110 HydrophobicContact CB-CG2 4.15Å
65	K	97.6	Very high	97.5	Very high	150 Å²	150	42.1 Å²	42.1	65%	0.652	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.8	-175.9	-66	176.8	-174.8	165	0	113.3	C67 K71 D94	K65-C67 VanDerWaalsContact C-N 3.29Å; K65-K71 WeakPolarHBondContact O-CE 3.28Å; K65-D94 VanDerWaalsContact CE-OD2 3.31Å; K65-D94 WeakPolarHBondContact CE-OD2 3.42Å; K65-D94 IonicContact NZ-OD2 3.9Å
66	W	97.4	Very high	97.7	Very high	167 Å²	167	41.9 Å²	41.9	63%	0.633	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9	179.3	49.7	-100.5	0	0	0	113.2	A64 G68 I95 D96 V110	A64-W66 VanDerWaalsContact C-N 3.3Å; A64-W66 HydrophobicContact CB-CD2 3.91Å; A64-W66 HydrophobicContact CB-CG 4.29Å; A64-W66 HydrophobicContact CB-CH2 4.28Å; A64-W66 HydrophobicContact CB-CZ2 3.57Å; A64-W66 PolarHBondContact O-N 3.15Å; W66-G68 PolarHBondContact O-N 3.02Å; W66-I95 HydrophobicContact CZ2-CD1 4.26Å; W66-D96 PolarHBondContact NE1-OD1 2.88Å; W66-D96 VanDerWaalsContact NE1-OD1 3.14Å; W66-D96 PolarHBondContact NE1-OD2 3.49Å; W66-V110 HydrophobicContact CH2-CG2 3.76Å; W66-V110 HydrophobicContact CZ2-CG2 4.34Å; W66-V110 HydrophobicContact CZ3-CG2 4.21Å
67	C	97.7	Very high	97.9	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.034	21%	0.21	C	C	.	.			trans	-82.4	111	-174.7	166.9	0	0	0	0	112.1	A64 K65 C70 K71 V110	A64-C67 HydrophobicContact CB-CB 4.29Å; A64-C67 WeakPolarHBondContact O-CB 3.3Å; A64-C67 PolarHBondContact O-N 2.89Å; K65-C67 VanDerWaalsContact C-N 3.29Å; C67-C70 HydrophobicContact CB-CB 3.66Å; C67-C70 WeakPolarHBondContact CB-SG 3.35Å; C67-C70 WeakPolarHBondContact O-CB 3.5Å; C67-C70 PolarHBondContact O-N 2.83Å; C67-C70 WeakPolarHBondContact SG-CB 3.37Å; C67-C70 PolarHBondContact SG-N 2.83Å; C67-C70 CovalentContact SG-SG 2.05Å; C67-C70 PolarHBondContact SG-SG 3.2Å; C67-K71 PolarHBondContact O-N 2.67Å; C67-V110 HydrophobicContact CB-CG2 3.94Å
68	G	97.5	Very high	97.9	Very high	42 Å²	42	44.2 Å²	44.2	43%	0.433	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-54.4	176.1	0	0	0	0	0	113.8	W66 C70 K71	W66-G68 PolarHBondContact O-N 3.02Å; G68-C70 PolarHBondContact O-N 2.94Å; G68-K71 WeakPolarHBondContact O-CB 3.44Å; G68-K71 PolarHBondContact O-N 2.9Å; G68-K71 VanDerWaalsContact O-N 3.08Å
69	P	97.7	Very high	97.9	Very high	65 Å²	65	47.8 Å²	47.8	42%	0.422	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.8	178.7	-26.4	35.6	0	0	0	114.2	K71 I72 L73	P69-K71 VanDerWaalsContact C-N 3.27Å; P69-K71 PolarHBondContact O-N 2.87Å; P69-I72 PolarHBondContact O-N 3.16Å; P69-I72 VanDerWaalsContact O-N 3.09Å; P69-L73 PolarHBondContact O-N 2.97Å
70	C	98.3	Very high	97.8	Very high	10 Å²	10	47.6 Å²	47.6	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-33.7	177	-56.1	0	0	0	0	111.9	H63 C67 G68 I72 L73 G74	H63-C70 HydrophobicContact CB-CB 4.11Å; C67-C70 HydrophobicContact CB-CB 3.66Å; C67-C70 WeakPolarHBondContact CB-SG 3.35Å; C67-C70 WeakPolarHBondContact O-CB 3.5Å; C67-C70 PolarHBondContact O-N 2.83Å; C67-C70 WeakPolarHBondContact SG-CB 3.37Å; C67-C70 PolarHBondContact SG-N 2.83Å; C67-C70 CovalentContact SG-SG 2.05Å; C67-C70 PolarHBondContact SG-SG 3.2Å; G68-C70 PolarHBondContact O-N 2.94Å; C70-I72 PolarHBondContact O-N 2.81Å; C70-L73 PolarHBondContact O-N 2.79Å; C70-G74 PolarHBondContact O-N 2.81Å
71	K	97.6	Very high	97.7	Very high	148 Å²	148	47.6 Å²	47.6	64%	0.643	24%	0.239	S	C	*	.	H	α-helix	trans	-67.4	-17	175.7	-63.7	175.3	-179.1	176.2	0	113.3	K65 C67 G68 P69 P75	K65-K71 WeakPolarHBondContact O-CE 3.28Å; C67-K71 PolarHBondContact O-N 2.67Å; G68-K71 WeakPolarHBondContact O-CB 3.44Å; G68-K71 PolarHBondContact O-N 2.9Å; G68-K71 VanDerWaalsContact O-N 3.08Å; P69-K71 VanDerWaalsContact C-N 3.27Å; P69-K71 PolarHBondContact O-N 2.87Å; K71-P75 WeakPolarHBondContact O-CD 3.44Å; K71-P75 WeakPolarHBondContact O-CG 3.17Å
72	I	97.6	Very high	97.5	Very high	93 Å²	93	53.9 Å²	53.9	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-92.7	-48.9	173.6	-57.3	172.5	0	0	0	110	P69 C70 R76	P69-I72 PolarHBondContact O-N 3.16Å; P69-I72 VanDerWaalsContact O-N 3.09Å; C70-I72 PolarHBondContact O-N 2.81Å; I72-R76 WeakPolarHBondContact O-CB 3.19Å; I72-R76 PolarHBondContact O-N 3.43Å
73	L	98.1	Very high	97.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-41.2	-175.4	-174.5	67.2	0	0	0	112.6	P69 C70 R76 L77 P111 V113 F125 I134	P69-L73 PolarHBondContact O-N 2.97Å; C70-L73 PolarHBondContact O-N 2.79Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.98Å; L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CD1-CG 4.26Å; L73-L77 HydrophobicContact CD2-CD1 4.11Å; L73-L77 HydrophobicContact CG-CD1 3.83Å; L73-L77 HydrophobicContact CG-CG 4.15Å; L73-L77 PolarHBondContact O-N 3.24Å; L73-P111 HydrophobicContact CB-CG 4.18Å; L73-P111 HydrophobicContact CD2-CB 3.52Å; L73-P111 HydrophobicContact CD2-CG 3.51Å; L73-P111 HydrophobicContact CG-CG 4.49Å; L73-V113 HydrophobicContact CD2-CG2 3.78Å; L73-F125 HydrophobicContact CD2-CE2 4.31Å; L73-I134 HydrophobicContact CD1-CD1 3.61Å
74	G	97.6	Very high	97.2	Very high	5 Å²	5	57.4 Å²	57.4	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-55.7	-59.1	-177.1	0	0	0	0	0	113	C70 R76 L77 E78	C70-G74 PolarHBondContact O-N 2.81Å; G74-R76 PolarHBondContact O-N 3.29Å; G74-L77 PolarHBondContact O-N 2.69Å; G74-E78 WeakPolarHBondContact O-CG 3.36Å; G74-E78 PolarHBondContact O-N 3.33Å
75	P	97.7	Very high	96.6	Very high	76 Å²	76	60 Å²	60	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-32.9	176.7	-25.9	35.5	0	0	0	113.7	K71 N79	K71-P75 WeakPolarHBondContact O-CD 3.44Å; K71-P75 WeakPolarHBondContact O-CG 3.17Å; P75-N79 VanDerWaalsContact O-CB 3.31Å; P75-N79 WeakPolarHBondContact O-CB 3.46Å; P75-N79 PolarHBondContact O-N 3.11Å
76	R	97.6	Very high	96.4	Very high	61 Å²	61	59.1 Å²	59.1	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-48	175.8	-178.8	179	-69.7	-178.3	-10	111.1	I72 L73 G74 N79 I80 N128 K129 E130 I134	I72-R76 WeakPolarHBondContact O-CB 3.19Å; I72-R76 PolarHBondContact O-N 3.43Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.98Å; G74-R76 PolarHBondContact O-N 3.29Å; R76-N79 PolarHBondContact O-N 3.49Å; R76-I80 HydrophobicContact CG-CD1 3.94Å; R76-I80 WeakPolarHBondContact O-CD1 3.35Å; R76-I80 VanDerWaalsContact O-CG1 3.25Å; R76-I80 WeakPolarHBondContact O-CG1 3.4Å; R76-I80 PolarHBondContact O-N 3.31Å; R76-N128 PolarHBondContact NH1-OD1 3.32Å; R76-K129 WeakPolarHBondContact CD-O 3.37Å; R76-K129 PolarHBondContact NH1-O 3.36Å; R76-E130 IonicContact CZ-OE2 3.61Å; R76-E130 IonicContact NH1-OE1 2.67Å; R76-E130 PolarHBondContact NH1-OE1 3.47Å; R76-E130 IonicContact NH1-OE2 3.53Å; R76-E130 IonicContact NH2-OE2 2.84Å; R76-I134 HydrophobicContact CG-CD1 4.12Å
77	L	97.6	Very high	96.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-50.1	173.9	-81.3	168.9	0	0	0	111	D61 L73 G74 N79 I80 M81 L90 V113 I134	D61-L77 HydrophobicContact CB-CD1 3.96Å; L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CD1-CG 4.26Å; L73-L77 HydrophobicContact CD2-CD1 4.11Å; L73-L77 HydrophobicContact CG-CD1 3.83Å; L73-L77 HydrophobicContact CG-CG 4.15Å; L73-L77 PolarHBondContact O-N 3.24Å; G74-L77 PolarHBondContact O-N 2.69Å; L77-N79 VanDerWaalsContact C-N 3.27Å; L77-N79 PolarHBondContact O-N 2.88Å; L77-I80 PolarHBondContact O-N 3.29Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 WeakPolarHBondContact O-CG 3.2Å; L77-M81 PolarHBondContact O-N 2.94Å; L77-L90 HydrophobicContact CB-CD2 4.1Å; L77-V113 HydrophobicContact CD1-CG2 3.93Å; L77-I134 HydrophobicContact CD2-CG2 3.66Å
78	E	97.4	Very high	96.2	Very high	65 Å²	65	53.5 Å²	53.5	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-39.4	178.8	-67.8	179.8	-170.4	0	0	112	I38 G74 L90 K92	I38-E78 HydrophobicContact CD1-CB 3.88Å; I38-E78 HydrophobicContact CD1-CG 3.99Å; I38-E78 HydrophobicContact CG2-CG 4.26Å; G74-E78 WeakPolarHBondContact O-CG 3.36Å; G74-E78 PolarHBondContact O-N 3.33Å; E78-L90 HydrophobicContact CG-CD2 4.18Å; E78-K92 IonicContact OE1-NZ 3.48Å; E78-K92 PolarHBondContact OE1-NZ 2.99Å
79	N	97.2	Very high	96.2	Very high	76 Å²	76	51.5 Å²	51.5	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-44.3	176.8	-170.7	62.6	0	0	0	112.6	P75 R76 L77 M81 K82	P75-N79 VanDerWaalsContact O-CB 3.31Å; P75-N79 WeakPolarHBondContact O-CB 3.46Å; P75-N79 PolarHBondContact O-N 3.11Å; R76-N79 PolarHBondContact O-N 3.49Å; L77-N79 VanDerWaalsContact C-N 3.27Å; L77-N79 PolarHBondContact O-N 2.88Å; N79-M81 VanDerWaalsContact C-N 3.32Å; N79-M81 PolarHBondContact O-N 3.07Å; N79-K82 WeakPolarHBondContact O-CB 3.46Å; N79-K82 PolarHBondContact O-N 3.04Å; N79-K82 PolarHBondContact OD1-NZ 2.86Å
80	I	96.7	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-42.3	177.8	-68.5	165.3	0	0	0	110.6	R76 L77 K82 S83 Y84 E131 I134 R135 I138	R76-I80 HydrophobicContact CG-CD1 3.94Å; R76-I80 WeakPolarHBondContact O-CD1 3.35Å; R76-I80 VanDerWaalsContact O-CG1 3.25Å; R76-I80 WeakPolarHBondContact O-CG1 3.4Å; R76-I80 PolarHBondContact O-N 3.31Å; L77-I80 PolarHBondContact O-N 3.29Å; I80-K82 PolarHBondContact O-N 3.31Å; I80-K82 VanDerWaalsContact O-N 3.11Å; I80-S83 PolarHBondContact O-N 3.27Å; I80-Y84 HydrophobicContact CG2-CD2 4.3Å; I80-Y84 HydrophobicContact CG2-CE2 3.86Å; I80-Y84 WeakPolarHBondContact O-CD2 3.36Å; I80-E131 HydrophobicContact CD1-CB 4.03Å; I80-E131 HydrophobicContact CD1-CG 3.69Å; I80-E131 HydrophobicContact CG1-CG 3.79Å; I80-I134 HydrophobicContact CD1-CB 3.79Å; I80-I134 HydrophobicContact CD1-CD1 3.96Å; I80-I134 HydrophobicContact CD1-CG1 4.49Å; I80-I134 HydrophobicContact CD1-CG2 3.65Å; I80-I134 HydrophobicContact CG2-CG2 4.4Å; I80-R135 HydrophobicContact CG2-CG 3.77Å; I80-I138 HydrophobicContact CG2-CD1 3.61Å
81	M	95.9	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-21.4	-178.8	-74.4	-62.7	-56.4	0	0	113.6	I38 L77 N79 S83 Y84 M85 V88 L90 I138	I38-M81 HydrophobicContact CD1-CB 4.41Å; I38-M81 HydrophobicContact CG1-CB 4.37Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 WeakPolarHBondContact O-CG 3.2Å; L77-M81 PolarHBondContact O-N 2.94Å; N79-M81 VanDerWaalsContact C-N 3.32Å; N79-M81 PolarHBondContact O-N 3.07Å; M81-S83 PolarHBondContact O-N 2.7Å; M81-S83 VanDerWaalsContact O-N 3.15Å; M81-Y84 CarbonylContact O-C 3.49Å; M81-Y84 PolarHBondContact O-N 2.93Å; M81-M85 WeakPolarHBondContact O-CG 3.31Å; M81-M85 PolarHBondContact O-N 3.36Å; M81-M85 VanDerWaalsContact O-N 3.13Å; M81-V88 HydrophobicContact CE-CB 3.85Å; M81-V88 HydrophobicContact CE-CG1 3.91Å; M81-V88 VanDerWaalsContact CE-O 3.3Å; M81-V88 WeakPolarHBondContact CE-O 3.3Å; M81-V88 HydrophobicContact SD-CG1 4.38Å; M81-L90 HydrophobicContact CE-CB 3.87Å; M81-L90 HydrophobicContact CG-CB 3.83Å; M81-L90 HydrophobicContact CG-CD2 3.85Å; M81-L90 HydrophobicContact CG-CG 4.34Å; M81-L90 HydrophobicContact SD-CB 4.19Å; M81-I138 HydrophobicContact SD-CD1 4.07Å
82	K	95.3	Very high	96.2	Very high	135 Å²	135	42.5 Å²	42.5	59%	0.587	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.5	172.9	-66.1	174.2	-174.2	167.2	0	112.8	N79 I80 Y84 M85	N79-K82 WeakPolarHBondContact O-CB 3.46Å; N79-K82 PolarHBondContact O-N 3.04Å; N79-K82 PolarHBondContact OD1-NZ 2.86Å; I80-K82 PolarHBondContact O-N 3.31Å; I80-K82 VanDerWaalsContact O-N 3.11Å; K82-Y84 VanDerWaalsContact C-N 3.32Å; K82-M85 HydrophobicContact CB-CE 4.32Å; K82-M85 HydrophobicContact CG-CE 3.87Å
83	S	95.5	Very high	96.3	Very high	78 Å²	78	38.1 Å²	38.1	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12	176.3	-55	0	0	0	0	113.9	I80 M81 R135	I80-S83 PolarHBondContact O-N 3.27Å; M81-S83 PolarHBondContact O-N 2.7Å; M81-S83 VanDerWaalsContact O-N 3.15Å; S83-R135 PolarHBondContact OG-NH1 3.45Å
84	Y	95	Very high	96.3	Very high	26 Å²	26	39 Å²	39	10%	0.102	21%	0.206	C	C	.	.	S	Bend	trans	-126.6	17.7	-172.6	-52.7	-85.9	0	0	0	112.9	I80 M81 K82 N86 S87 V88 R135 I138 E139 L142	I80-Y84 HydrophobicContact CG2-CD2 4.3Å; I80-Y84 HydrophobicContact CG2-CE2 3.86Å; I80-Y84 WeakPolarHBondContact O-CD2 3.36Å; M81-Y84 CarbonylContact O-C 3.49Å; M81-Y84 PolarHBondContact O-N 2.93Å; K82-Y84 VanDerWaalsContact C-N 3.32Å; Y84-N86 PolarHBondContact O-N 3.06Å; Y84-S87 PolarHBondContact O-N 2.81Å; Y84-V88 PolarHBondContact O-N 2.78Å; Y84-R135 PolarHBondContact OH-NH1 3.04Å; Y84-I138 HydrophobicContact CD1-CG2 3.79Å; Y84-I138 HydrophobicContact CD2-CD1 4.34Å; Y84-I138 HydrophobicContact CD2-CG2 3.95Å; Y84-I138 HydrophobicContact CE1-CG2 3.93Å; Y84-I138 HydrophobicContact CE2-CD1 4.32Å; Y84-I138 HydrophobicContact CE2-CG2 4.08Å; Y84-I138 HydrophobicContact CG-CG2 3.81Å; Y84-E139 HydrophobicContact CE1-CG 4.29Å; Y84-E139 PolarHBondContact OH-OE1 3.16Å; Y84-L142 HydrophobicContact CD1-CD1 3.7Å; Y84-L142 HydrophobicContact CE1-CD1 4.08Å
85	M	86.8	Confident	96.4	Very high	58 Å²	58	40.3 Å²	40.3	29%	0.286	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.8	-173.3	-72.6	-68.1	-177.6	0	0	115.2	Y36 I38 M81 K82	Y36-M85 WeakPolarHBondContact CB-O 3.35Å; I38-M85 HydrophobicContact CD1-CE 3.71Å; I38-M85 HydrophobicContact CG1-CE 4.1Å; M81-M85 WeakPolarHBondContact O-CG 3.31Å; M81-M85 PolarHBondContact O-N 3.36Å; M81-M85 VanDerWaalsContact O-N 3.13Å; K82-M85 HydrophobicContact CB-CE 4.32Å; K82-M85 HydrophobicContact CG-CE 3.87Å
86	N	92.3	Very high	96.4	Very high	130 Å²	130	40.5 Å²	40.5	70%	0.695	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	9.2	-179.9	-60.5	2.4	0	0	0	112.5	Y36 Y84	Y36-N86 VanDerWaalsContact CD1-C 3.4Å; Y36-N86 VanDerWaalsContact CE1-C 3.42Å; Y36-N86 WeakPolarHBondContact CE1-O 3.26Å; Y36-N86 VanDerWaalsContact CZ-O 3.28Å; Y84-N86 PolarHBondContact O-N 3.06Å
87	S	94.6	Very high	96.4	Very high	54 Å²	54	44.1 Å²	44.1	38%	0.378	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-28.5	-172.6	-51.4	0	0	0	0	112.8	Y84	Y84-S87 PolarHBondContact O-N 2.81Å
88	V	95.8	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.			trans	-140.6	144.4	-176.1	-175.4	0	0	0	0	109.7	P57 I59 M81 Y84 I138 L142	P57-V88 WeakPolarHBondContact O-CA 3.29Å; P57-V88 WeakPolarHBondContact O-CG1 3.34Å; I59-V88 HydrophobicContact CB-CG1 4.45Å; I59-V88 HydrophobicContact CG1-CG1 3.59Å; M81-V88 HydrophobicContact CE-CB 3.85Å; M81-V88 HydrophobicContact CE-CG1 3.91Å; M81-V88 VanDerWaalsContact CE-O 3.3Å; M81-V88 WeakPolarHBondContact CE-O 3.3Å; M81-V88 HydrophobicContact SD-CG1 4.38Å; Y84-V88 PolarHBondContact O-N 2.78Å; V88-I138 HydrophobicContact CG2-CG2 4.08Å; V88-L142 HydrophobicContact CG2-CD1 3.92Å; V88-L142 HydrophobicContact CG2-CD2 3.48Å; V88-L142 VanDerWaalsContact CG2-CD2 3.48Å; V88-L142 HydrophobicContact CG2-CG 3.73Å
89	L	97.3	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.2	168.6	-179.3	66.2	0	0	0	110.3	E35 I39 R50 N54 P57 V58 I59	E35-L89 HydrophobicContact CB-CD2 4.47Å; E35-L89 HydrophobicContact CG-CD1 4.14Å; E35-L89 WeakPolarHBondContact O-CB 3.31Å; I39-L89 HydrophobicContact CD1-CD1 4.06Å; I39-L89 HydrophobicContact CD1-CD2 3.7Å; I39-L89 HydrophobicContact CD1-CG 4.18Å; I39-L89 HydrophobicContact CG1-CD1 3.96Å; I39-L89 HydrophobicContact CG1-CD2 4.34Å; I39-L89 HydrophobicContact CG1-CG 4.29Å; I39-L89 HydrophobicContact CG2-CD1 3.83Å; R50-L89 WeakPolarHBondContact O-CD2 3.44Å; N54-L89 WeakPolarHBondContact ND2-CD2 3.23Å; P57-L89 PolarHBondContact O-N 2.72Å; V58-L89 CarbonylContact C-O 3.46Å; V58-L89 WeakPolarHBondContact CA-O 3.44Å; V58-L89 HydrophobicContact CB-CB 4.46Å; V58-L89 HydrophobicContact CG1-CB 4.13Å; V58-L89 HydrophobicContact CG1-CD2 4.04Å; V58-L89 HydrophobicContact CG1-CG 4.17Å; V58-L89 HydrophobicContact CG2-CB 4.16Å; V58-L89 HydrophobicContact CG2-CD2 4.18Å; I59-L89 PolarHBondContact N-O 3.04Å
90	L	98.1	Very high	96.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.8	163.8	175.6	62.8	0	0	0	109.4	G37 I38 I39 I59 D61 L77 E78 M81 K92	G37-L90 PolarHBondContact O-N 3.13Å; I38-L90 WeakPolarHBondContact CA-O 3.22Å; I38-L90 HydrophobicContact CG1-CB 4.21Å; I38-L90 HydrophobicContact CG1-CD2 4.16Å; I38-L90 HydrophobicContact CG2-CB 4.48Å; I38-L90 HydrophobicContact CG2-CD2 3.96Å; I38-L90 HydrophobicContact CG2-CG 4.27Å; I39-L90 WeakPolarHBondContact CG1-O 3.5Å; I39-L90 PolarHBondContact N-O 3.28Å; I59-L90 HydrophobicContact CB-CD1 4.23Å; I59-L90 HydrophobicContact CG2-CD1 3.99Å; I59-L90 CarbonylContact O-C 3.57Å; I59-L90 WeakPolarHBondContact O-CA 3.24Å; D61-L90 HydrophobicContact CB-CD1 4.16Å; L77-L90 HydrophobicContact CB-CD2 4.1Å; E78-L90 HydrophobicContact CG-CD2 4.18Å; M81-L90 HydrophobicContact CE-CB 3.87Å; M81-L90 HydrophobicContact CG-CB 3.83Å; M81-L90 HydrophobicContact CG-CD2 3.85Å; M81-L90 HydrophobicContact CG-CG 4.34Å; M81-L90 HydrophobicContact SD-CB 4.19Å; L90-K92 HydrophobicContact CG-CG 4.43Å
91	A	98.4	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.2	173.9	0	0	0	0	0	110.4	I39 I41 V51 V58 I59 V60 D61	I39-A91 HydrophobicContact CD1-CB 4.28Å; I39-A91 HydrophobicContact CG1-CB 4.11Å; I41-A91 HydrophobicContact CD1-CB 4Å; I41-A91 HydrophobicContact CG1-CB 4.05Å; V51-A91 HydrophobicContact CG2-CB 3.76Å; V58-A91 HydrophobicContact CG1-CB 3.85Å; I59-A91 PolarHBondContact O-N 3.13Å; V60-A91 CarbonylContact C-O 3.56Å; V60-A91 VanDerWaalsContact CA-O 3.26Å; V60-A91 WeakPolarHBondContact CA-O 3.4Å; V60-A91 HydrophobicContact CG2-CB 4.44Å; D61-A91 PolarHBondContact N-O 3.41Å
92	K	98.7	Very high	96.6	Very high	35 Å²	35	45.7 Å²	45.7	15%	0.152	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.9	177.4	-60.6	178.4	67.9	179.6	0	109.5	I38 I39 I41 E78 L90	I38-K92 HydrophobicContact CG2-CD 4.1Å; I39-K92 WeakPolarHBondContact O-CB 3.33Å; I39-K92 PolarHBondContact O-N 2.97Å; I41-K92 PolarHBondContact N-O 2.96Å; E78-K92 IonicContact OE1-NZ 3.48Å; E78-K92 PolarHBondContact OE1-NZ 2.99Å; L90-K92 HydrophobicContact CG-CG 4.43Å
93	V	98.8	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.2	-177.8	176.6	0	0	0	0	108.3	I41 F47 V60 D61 F62 H63 I95 L98	I41-V93 HydrophobicContact CB-CG2 4.14Å; I41-V93 HydrophobicContact CG1-CG2 3.87Å; F47-V93 HydrophobicContact CD2-CG2 4.09Å; F47-V93 HydrophobicContact CE2-CG2 4.03Å; V60-V93 HydrophobicContact CG1-CB 4.37Å; V60-V93 HydrophobicContact CG1-CG2 3.59Å; D61-V93 PolarHBondContact O-N 3.21Å; F62-V93 WeakPolarHBondContact CA-O 3.39Å; F62-V93 HydrophobicContact CD1-CB 3.78Å; F62-V93 HydrophobicContact CD1-CG1 3.57Å; F62-V93 HydrophobicContact CD1-CG2 4.5Å; F62-V93 HydrophobicContact CE1-CB 4.02Å; F62-V93 HydrophobicContact CE1-CG1 3.67Å; F62-V93 HydrophobicContact CE1-CG2 4.3Å; F62-V93 HydrophobicContact CG-CB 4.38Å; H63-V93 PolarHBondContact N-O 2.94Å; V93-I95 PolarHBondContact O-N 2.85Å; V93-L98 HydrophobicContact CG1-CB 3.92Å; V93-L98 HydrophobicContact CG1-CD1 3.96Å
94	D	98.6	Very high	96.9	Very high	18 Å²	18	49.6 Å²	49.6	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.4	171.2	-168.5	-20	0	0	0	108.8	H63 K65 D96 Q97 L98	H63-D94 WeakPolarHBondContact O-CA 3.42Å; K65-D94 VanDerWaalsContact CE-OD2 3.31Å; K65-D94 WeakPolarHBondContact CE-OD2 3.42Å; K65-D94 IonicContact NZ-OD2 3.9Å; D94-D96 PolarHBondContact O-N 2.87Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D94-D96 VanDerWaalsContact OD1-N 3.13Å; D94-Q97 HydrophobicContact CB-CB 4.24Å; D94-Q97 HydrophobicContact CB-CG 4.07Å; D94-Q97 PolarHBondContact O-N 2.9Å; D94-L98 PolarHBondContact O-N 2.93Å
95	I	98.3	Very high	97	Very high	34 Å²	34	49.5 Å²	49.5	17%	0.174	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.5	-176.1	64.5	158.8	0	0	0	112.8	F62 H63 A64 W66 V93 A102 I107 V110	F62-I95 HydrophobicContact CB-CG2 4.03Å; F62-I95 HydrophobicContact CD1-CG2 4.08Å; H63-I95 PolarHBondContact O-N 2.83Å; A64-I95 HydrophobicContact CB-CD1 4.34Å; A64-I95 HydrophobicContact CB-CG1 3.94Å; W66-I95 HydrophobicContact CZ2-CD1 4.26Å; V93-I95 PolarHBondContact O-N 2.85Å; I95-A102 HydrophobicContact CB-CB 4.05Å; I95-A102 HydrophobicContact CG2-CB 3.91Å; I95-I107 HydrophobicContact CG2-CG2 4.3Å; I95-V110 HydrophobicContact CD1-CG1 3.64Å; I95-V110 HydrophobicContact CD1-CG2 4.29Å; I95-V110 HydrophobicContact CG1-CG1 4.15Å; I95-V110 HydrophobicContact CG2-CG1 4.03Å
96	D	97.8	Very high	97.5	Very high	80 Å²	80	54.3 Å²	54.3	43%	0.428	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.6	175.9	-62.2	-34.1	0	0	0	111.4	W66 D94	W66-D96 PolarHBondContact NE1-OD1 2.88Å; W66-D96 VanDerWaalsContact NE1-OD1 3.14Å; W66-D96 PolarHBondContact NE1-OD2 3.49Å; D94-D96 PolarHBondContact O-N 2.87Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D94-D96 VanDerWaalsContact OD1-N 3.13Å
97	Q	98	Very high	97.8	Very high	136 Å²	136	49.3 Å²	49.3	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-27.5	178.9	-59.6	-60	-66.8	0	0	112.9	D94	D94-Q97 HydrophobicContact CB-CB 4.24Å; D94-Q97 HydrophobicContact CB-CG 4.07Å; D94-Q97 PolarHBondContact O-N 2.9Å
98	L	98.3	Very high	97.9	Very high	3 Å²	3	56 Å²	56	2%	0.016	27%	0.267	C	S	.	.			trans	-124.4	57.2	-174.2	-68	132.5	0	0	0	110	I41 D43 V93 D94 S100 V101 A102	I41-L98 HydrophobicContact CB-CD1 4.27Å; I41-L98 HydrophobicContact CG2-CD1 4.17Å; I41-L98 HydrophobicContact CG2-CD2 3.91Å; I41-L98 WeakPolarHBondContact O-CD1 3.48Å; D43-L98 VanDerWaalsContact C-CD2 3.49Å; V93-L98 HydrophobicContact CG1-CB 3.92Å; V93-L98 HydrophobicContact CG1-CD1 3.96Å; D94-L98 PolarHBondContact O-N 2.93Å; L98-S100 PolarHBondContact O-N 3.29Å; L98-V101 HydrophobicContact CB-CB 4.21Å; L98-V101 HydrophobicContact CB-CG2 4.24Å; L98-V101 HydrophobicContact CD2-CG2 4.02Å; L98-V101 PolarHBondContact O-N 2.98Å; L98-A102 PolarHBondContact O-N 3.24Å
99	D	96.7	Very high	98	Very high	119 Å²	119	59 Å²	59	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-61.8	-40.7	-177.2	63.4	-20.4	0	0	0	112.4	V101 A102 E103	D99-V101 PolarHBondContact O-N 2.89Å; D99-A102 PolarHBondContact O-N 3.44Å; D99-E103 WeakPolarHBondContact O-CB 3.31Å; D99-E103 PolarHBondContact O-N 2.67Å
100	S	97.8	Very high	98.1	Very high	41 Å²	41	59.8 Å²	59.8	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-45.2	173.8	57	0	0	0	0	112.8	D44 L98 K104	D44-S100 VanDerWaalsContact CG-OG 3.23Å; D44-S100 WeakPolarHBondContact OD1-CB 3.49Å; D44-S100 PolarHBondContact OD1-OG 3.32Å; D44-S100 PolarHBondContact OD2-OG 2.7Å; D44-S100 VanDerWaalsContact OD2-OG 3.08Å; L98-S100 PolarHBondContact O-N 3.29Å; S100-K104 WeakPolarHBondContact O-CB 3.25Å; S100-K104 PolarHBondContact O-N 2.8Å
101	V	98.4	Very high	98.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-44.6	177.8	-177	0	0	0	0	109.7	F47 F62 L98 D99 E103 K104 Y105	F47-V101 HydrophobicContact CB-CG2 4.35Å; F47-V101 HydrophobicContact CD1-CG1 4.1Å; F47-V101 HydrophobicContact CD2-CG1 3.64Å; F47-V101 HydrophobicContact CE1-CG1 4.07Å; F47-V101 HydrophobicContact CE2-CG1 3.58Å; F47-V101 HydrophobicContact CG-CG1 3.9Å; F47-V101 HydrophobicContact CG-CG2 4.29Å; F47-V101 HydrophobicContact CZ-CG1 3.81Å; F62-V101 HydrophobicContact CE1-CG1 4.07Å; F62-V101 HydrophobicContact CZ-CG1 4.43Å; L98-V101 HydrophobicContact CB-CB 4.21Å; L98-V101 HydrophobicContact CB-CG2 4.24Å; L98-V101 HydrophobicContact CD2-CG2 4.02Å; L98-V101 PolarHBondContact O-N 2.98Å; D99-V101 PolarHBondContact O-N 2.89Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.08Å; V101-K104 PolarHBondContact O-N 3.49Å; V101-Y105 HydrophobicContact CG1-CD2 4.12Å; V101-Y105 HydrophobicContact CG1-CE2 4.37Å; V101-Y105 WeakPolarHBondContact O-CD2 3.32Å; V101-Y105 PolarHBondContact O-N 3.25Å; V101-Y105 VanDerWaalsContact O-N 3.08Å
102	A	98.4	Very high	98.1	Very high	10 Å²	10	59.9 Å²	59.9	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-42.5	176.9	0	0	0	0	0	111.9	I95 L98 D99 Y105 K106 I107	I95-A102 HydrophobicContact CB-CB 4.05Å; I95-A102 HydrophobicContact CG2-CB 3.91Å; L98-A102 PolarHBondContact O-N 3.24Å; D99-A102 PolarHBondContact O-N 3.44Å; A102-Y105 PolarHBondContact O-N 2.91Å; A102-K106 PolarHBondContact O-N 3.08Å; A102-K106 VanDerWaalsContact O-N 3.08Å; A102-I107 HydrophobicContact CB-CB 4.23Å; A102-I107 HydrophobicContact CB-CG1 4.31Å; A102-I107 WeakPolarHBondContact O-CG1 3.47Å; A102-I107 PolarHBondContact O-N 3.44Å
103	E	98.1	Very high	98.1	Very high	157 Å²	157	58.2 Å²	58.2	73%	0.734	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-47.7	175.8	-174.3	179.9	-175.8	0	0	111.4	D99 V101 Y105 K106	D99-E103 WeakPolarHBondContact O-CB 3.31Å; D99-E103 PolarHBondContact O-N 2.67Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.08Å; E103-Y105 PolarHBondContact O-N 2.83Å; E103-K106 WeakPolarHBondContact O-CA 3.46Å; E103-K106 PolarHBondContact O-N 2.84Å
104	K	97.8	Very high	98.1	Very high	138 Å²	138	58.2 Å²	58.2	60%	0.6	28%	0.284	S	S	*	.	H	α-helix	trans	-55.7	-40	178.2	-179.3	177.8	179.3	179	0	112.4	S100 V101 K106	S100-K104 WeakPolarHBondContact O-CB 3.25Å; S100-K104 PolarHBondContact O-N 2.8Å; V101-K104 PolarHBondContact O-N 3.49Å; K104-K106 VanDerWaalsContact C-N 3.3Å
105	Y	98.1	Very high	98	Very high	23 Å²	23	57.5 Å²	57.5	9%	0.09	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4	177.4	-78.8	-87.4	0	0	0	114.2	F47 L52 F62 V101 A102 E103 I107 I114 I116 R124	F47-Y105 AromaticContact CE1-CE2 3.5Å; F47-Y105 HydrophobicContact CE1-CE2 3.5Å; F47-Y105 AromaticContact CE1-CZ 3.97Å; F47-Y105 HydrophobicContact CZ-CD2 4.22Å; F47-Y105 AromaticContact CZ-CE2 3.43Å; F47-Y105 HydrophobicContact CZ-CE2 3.43Å; F47-Y105 VanDerWaalsContact CZ-CE2 3.43Å; F47-Y105 AromaticContact CZ-CZ 3.84Å; L52-Y105 WeakPolarHBondContact CD2-OH 3.47Å; F62-Y105 HydrophobicContact CZ-CD2 4.08Å; F62-Y105 AromaticContact CZ-CG 3.98Å; F62-Y105 HydrophobicContact CZ-CG 3.98Å; V101-Y105 HydrophobicContact CG1-CD2 4.12Å; V101-Y105 HydrophobicContact CG1-CE2 4.37Å; V101-Y105 WeakPolarHBondContact O-CD2 3.32Å; V101-Y105 PolarHBondContact O-N 3.25Å; V101-Y105 VanDerWaalsContact O-N 3.08Å; A102-Y105 PolarHBondContact O-N 2.91Å; E103-Y105 PolarHBondContact O-N 2.83Å; Y105-I107 VanDerWaalsContact C-N 3.29Å; Y105-I107 PolarHBondContact O-N 3.24Å; Y105-I114 HydrophobicContact CD1-CD1 3.64Å; Y105-I114 HydrophobicContact CG-CD1 4.17Å; Y105-I116 HydrophobicContact CE1-CD1 3.91Å; Y105-I116 WeakPolarHBondContact OH-CD1 3.36Å; Y105-R124 PolarHBondContact O-NH1 3.39Å; Y105-R124 PolarHBondContact O-NH2 3.17Å; Y105-R124 VanDerWaalsContact O-NH2 3.09Å
106	K	98.1	Very high	98	Very high	159 Å²	159	56 Å²	56	69%	0.691	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	43.3	178.8	-56.7	175.1	-178.8	176.4	0	111.9	A102 E103 K104 K108	A102-K106 PolarHBondContact O-N 3.08Å; A102-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 WeakPolarHBondContact O-CA 3.46Å; E103-K106 PolarHBondContact O-N 2.84Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K106-K108 PolarHBondContact O-N 3.18Å
107	I	98.3	Very high	97.8	Very high	26 Å²	26	53.2 Å²	53.2	13%	0.133	26%	0.257	C	S	.	.			trans	-71.6	112.6	178.6	-53.7	-58.1	0	0	0	108.8	F62 I95 A102 Y105 V110 T112 I114	F62-I107 HydrophobicContact CB-CD1 4.31Å; F62-I107 HydrophobicContact CB-CG1 4.34Å; F62-I107 HydrophobicContact CB-CG2 4.17Å; F62-I107 HydrophobicContact CD1-CD1 4.09Å; F62-I107 HydrophobicContact CD1-CG1 3.68Å; F62-I107 HydrophobicContact CD2-CD1 3.65Å; F62-I107 HydrophobicContact CD2-CG1 4.19Å; F62-I107 HydrophobicContact CE1-CD1 4.27Å; F62-I107 HydrophobicContact CE1-CG1 3.9Å; F62-I107 HydrophobicContact CE2-CD1 3.87Å; F62-I107 HydrophobicContact CE2-CG1 4.41Å; F62-I107 HydrophobicContact CG-CD1 3.75Å; F62-I107 HydrophobicContact CG-CG1 3.81Å; F62-I107 HydrophobicContact CZ-CD1 4.17Å; F62-I107 HydrophobicContact CZ-CG1 4.27Å; I95-I107 HydrophobicContact CG2-CG2 4.3Å; A102-I107 HydrophobicContact CB-CB 4.23Å; A102-I107 HydrophobicContact CB-CG1 4.31Å; A102-I107 WeakPolarHBondContact O-CG1 3.47Å; A102-I107 PolarHBondContact O-N 3.44Å; Y105-I107 VanDerWaalsContact C-N 3.29Å; Y105-I107 PolarHBondContact O-N 3.24Å; I107-V110 HydrophobicContact CG2-CG1 4.09Å; I107-T112 HydrophobicContact CD1-CG2 3.78Å; I107-I114 HydrophobicContact CD1-CD1 3.88Å
108	K	96.9	Very high	97.6	Very high	193 Å²	193	51.4 Å²	51.4	84%	0.839	25%	0.251	S	S	*	.			trans	-104.8	-22.6	-179.2	-64.1	-178.4	-178.5	-178.7	0	113.3	K106	K106-K108 PolarHBondContact O-N 3.18Å
109	V	97.6	Very high	97.4	Very high	64 Å²	64	52.6 Å²	52.6	39%	0.388	27%	0.265	S	S	.	.	S	Bend	trans	-142.2	148.8	-177.1	64.8	0	0	0	0	108.8	T112 E126	V109-T112 PolarHBondContact O-OG1 3.19Å; V109-E126 HydrophobicContact CG1-CB 3.98Å; V109-E126 HydrophobicContact CG1-CG 3.87Å; V109-E126 VanDerWaalsContact CG1-OE2 3.3Å; V109-E126 WeakPolarHBondContact CG1-OE2 3.4Å
110	V	98.3	Very high	97.4	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.097	27%	0.266	C	S	.	.	S	Bend	trans	-121.8	145.2	172.1	-70	0	0	0	0	110.7	F62 A64 W66 C67 I95 I107	F62-V110 WeakPolarHBondContact O-CG1 3.35Å; A64-V110 HydrophobicContact CB-CG2 4.15Å; W66-V110 HydrophobicContact CH2-CG2 3.76Å; W66-V110 HydrophobicContact CZ2-CG2 4.34Å; W66-V110 HydrophobicContact CZ3-CG2 4.21Å; C67-V110 HydrophobicContact CB-CG2 3.94Å; I95-V110 HydrophobicContact CD1-CG1 3.64Å; I95-V110 HydrophobicContact CD1-CG2 4.29Å; I95-V110 HydrophobicContact CG1-CG1 4.15Å; I95-V110 HydrophobicContact CG2-CG1 4.03Å; I107-V110 HydrophobicContact CG2-CG1 4.09Å
111	P	98.5	Very high	97.3	Very high	1 Å²	1	56 Å²	56	1%	0.006	27%	0.27	C	S	.	.	S	Bend	cis	-75.3	142.2	-2.1	31.1	-33.7	0	0	0	112.2	F62 L73 G127	F62-P111 WeakPolarHBondContact O-CA 3.45Å; L73-P111 HydrophobicContact CB-CG 4.18Å; L73-P111 HydrophobicContact CD2-CB 3.52Å; L73-P111 HydrophobicContact CD2-CG 3.51Å; L73-P111 HydrophobicContact CG-CG 4.49Å; P111-G127 PolarHBondContact O-N 3.23Å
112	T	98.8	Very high	97.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.9	166.1	-69.8	0	0	0	0	107.7	F62 I107 V109 I114 E126	F62-T112 WeakPolarHBondContact CB-O 3.09Å; F62-T112 PolarHBondContact N-O 2.93Å; F62-T112 PolarHBondContact O-N 2.98Å; F62-T112 VanDerWaalsContact O-N 3.16Å; I107-T112 HydrophobicContact CD1-CG2 3.78Å; V109-T112 PolarHBondContact O-OG1 3.19Å; T112-I114 HydrophobicContact CG2-CD1 4.5Å; T112-I114 HydrophobicContact CG2-CG1 4.07Å; T112-E126 HydrophobicContact CG2-CG 4.39Å
113	V	98.6	Very high	97.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129	178.1	179.5	0	0	0	0	109.2	I59 V60 L73 L77 R124 F125	I59-V113 HydrophobicContact CG2-CG1 3.46Å; I59-V113 VanDerWaalsContact CG2-CG1 3.46Å; V60-V113 CarbonylContact O-C 3.54Å; V60-V113 VanDerWaalsContact O-CA 3.23Å; V60-V113 WeakPolarHBondContact O-CA 3.4Å; L73-V113 HydrophobicContact CD2-CG2 3.78Å; L77-V113 HydrophobicContact CD1-CG2 3.93Å; V113-R124 CarbonylContact O-C 3.53Å; V113-R124 WeakPolarHBondContact O-CA 3.44Å; V113-R124 WeakPolarHBondContact O-CB 3.32Å; V113-F125 HydrophobicContact CB-CD1 4.02Å; V113-F125 HydrophobicContact CB-CD2 4.21Å; V113-F125 HydrophobicContact CB-CE1 3.52Å; V113-F125 HydrophobicContact CB-CE2 3.72Å; V113-F125 HydrophobicContact CB-CG 4.36Å; V113-F125 HydrophobicContact CB-CZ 3.36Å; V113-F125 HydrophobicContact CG1-CD1 4.35Å; V113-F125 HydrophobicContact CG1-CE1 3.57Å; V113-F125 HydrophobicContact CG1-CZ 3.68Å; V113-F125 HydrophobicContact CG2-CD2 4.43Å; V113-F125 HydrophobicContact CG2-CE1 4.19Å; V113-F125 HydrophobicContact CG2-CE2 3.62Å; V113-F125 HydrophobicContact CG2-CZ 3.48Å; V113-F125 VanDerWaalsContact CG2-CZ 3.48Å; V113-F125 PolarHBondContact N-O 3.4Å; V113-F125 PolarHBondContact O-N 2.99Å
114	I	98.3	Very high	97.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131	-179.9	-55.1	-169.9	0	0	0	109.4	V60 F62 Y105 I107 T112 I116 E121 R124	V60-I114 PolarHBondContact N-O 3.13Å; V60-I114 PolarHBondContact O-N 3.07Å; F62-I114 HydrophobicContact CD2-CD1 4.27Å; F62-I114 HydrophobicContact CD2-CG1 4.2Å; F62-I114 HydrophobicContact CE2-CB 4.3Å; F62-I114 HydrophobicContact CE2-CD1 3.66Å; F62-I114 HydrophobicContact CE2-CG1 3.88Å; F62-I114 HydrophobicContact CZ-CD1 4.43Å; Y105-I114 HydrophobicContact CD1-CD1 3.64Å; Y105-I114 HydrophobicContact CG-CD1 4.17Å; I107-I114 HydrophobicContact CD1-CD1 3.88Å; T112-I114 HydrophobicContact CG2-CD1 4.5Å; T112-I114 HydrophobicContact CG2-CG1 4.07Å; I114-I116 HydrophobicContact CG2-CD1 4.47Å; I114-I116 HydrophobicContact CG2-CG1 3.96Å; I114-E121 HydrophobicContact CG2-CB 4.21Å; I114-E121 HydrophobicContact CG2-CG 3.57Å; I114-R124 HydrophobicContact CB-CB 4.49Å; I114-R124 HydrophobicContact CG1-CB 3.92Å
115	S	97.5	Very high	97.1	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.2	170.2	-60	0	0	0	0	110	I59 I122 E123 V141	I59-S115 VanDerWaalsContact CD1-OG 3.29Å; I59-S115 WeakPolarHBondContact CD1-OG 3.4Å; S115-I122 PolarHBondContact O-N 3.41Å; S115-E123 PolarHBondContact N-O 3.25Å; S115-V141 WeakPolarHBondContact OG-CG2 3.06Å
116	I	96.9	Very high	97.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	-179.9	-62.9	179.2	0	0	0	109.5	F47 V51 P57 V58 V60 Y105 I114 K120	F47-I116 HydrophobicContact CZ-CD1 4.41Å; V51-I116 HydrophobicContact CG1-CD1 3.65Å; P57-I116 WeakPolarHBondContact CA-O 3.23Å; V58-I116 PolarHBondContact N-O 2.93Å; V58-I116 PolarHBondContact O-N 2.91Å; V60-I116 HydrophobicContact CG2-CD1 3.75Å; V60-I116 HydrophobicContact CG2-CG1 4.31Å; Y105-I116 HydrophobicContact CE1-CD1 3.91Å; Y105-I116 WeakPolarHBondContact OH-CD1 3.36Å; I114-I116 HydrophobicContact CG2-CD1 4.47Å; I114-I116 HydrophobicContact CG2-CG1 3.96Å; I116-K120 CarbonylContact C-O 3.52Å; I116-K120 VanDerWaalsContact CA-O 3.24Å; I116-K120 WeakPolarHBondContact CA-O 3.47Å
117	K	95	Very high	97.1	Very high	22 Å²	22	48.4 Å²	48.4	10%	0.096	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.1	172.6	-169.6	170.5	-172.5	162.8	0	109.2	P57 G119 K120 I122 V141 H144	P57-K117 HydrophobicContact CB-CG 4.44Å; P57-K117 HydrophobicContact CG-CD 4.09Å; P57-K117 HydrophobicContact CG-CG 4.26Å; K117-G119 PolarHBondContact O-N 3.42Å; K117-K120 PolarHBondContact N-O 3.17Å; K117-K120 PolarHBondContact O-N 2.91Å; K117-I122 HydrophobicContact CB-CD1 4.09Å; K117-I122 HydrophobicContact CB-CG1 3.82Å; K117-V141 PolarHBondContact NZ-O 2.82Å; K117-H144 VanDerWaalsContact CE-O 3.28Å; K117-H144 WeakPolarHBondContact CE-O 3.45Å; K117-H144 PolarHBondContact NZ-O 3.03Å
118	N	93.4	Very high	96.9	Very high	98 Å²	98	49.8 Å²	49.8	52%	0.524	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.5	-177.3	-56.7	-33.8	0	0	0	112.8	K120	N118-K120 PolarHBondContact O-N 3.11Å
119	G	94.9	Very high	96.9	Very high	29 Å²	29	44.2 Å²	44.2	30%	0.299	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	4.6	-177.8	0	0	0	0	0	115.7	L52 K117	L52-G119 VanDerWaalsContact O-CA 3.23Å; L52-G119 WeakPolarHBondContact O-CA 3.39Å; L52-G119 PolarHBondContact O-N 2.96Å; K117-G119 PolarHBondContact O-N 3.42Å
120	K	95.7	Very high	96.9	Very high	152 Å²	152	46.9 Å²	46.9	66%	0.661	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.7	179.5	-63.1	179.6	-175.8	176.2	0	111.1	I116 K117 N118	I116-K120 CarbonylContact C-O 3.52Å; I116-K120 VanDerWaalsContact CA-O 3.24Å; I116-K120 WeakPolarHBondContact CA-O 3.47Å; K117-K120 PolarHBondContact N-O 3.17Å; K117-K120 PolarHBondContact O-N 2.91Å; N118-K120 PolarHBondContact O-N 3.11Å
121	E	96.6	Very high	96.8	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.4	168	175	172.2	154.6	0	0	110.5	I114 R124	I114-E121 HydrophobicContact CG2-CB 4.21Å; I114-E121 HydrophobicContact CG2-CG 3.57Å; E121-R124 IonicContact OE1-CZ 4Å; E121-R124 VanDerWaalsContact OE1-CZ 3.25Å; E121-R124 IonicContact OE1-NE 3.8Å; E121-R124 PolarHBondContact OE1-NE 2.88Å; E121-R124 IonicContact OE1-NH2 3.89Å; E121-R124 PolarHBondContact OE1-NH2 3.3Å; E121-R124 IonicContact OE2-CZ 3.31Å; E121-R124 IonicContact OE2-NE 3.84Å; E121-R124 IonicContact OE2-NH2 3.73Å; E121-R124 PolarHBondContact OE2-NH2 3.25Å
122	I	95.6	Very high	96.8	Very high	73 Å²	73	56.1 Å²	56.1	37%	0.374	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-48.7	179.7	-55.5	-55.7	0	0	0	110.3	S115 K117	S115-I122 PolarHBondContact O-N 3.41Å; K117-I122 HydrophobicContact CB-CD1 4.09Å; K117-I122 HydrophobicContact CB-CG1 3.82Å
123	E	96.2	Very high	96.7	Very high	38 Å²	38	58.3 Å²	58.3	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	164.3	178.5	60.5	175.3	176.3	0	0	110.6	S115 R137	S115-E123 PolarHBondContact N-O 3.25Å; E123-R137 VanDerWaalsContact CD-CD 3.42Å; E123-R137 WeakPolarHBondContact OE1-CA 3.37Å; E123-R137 WeakPolarHBondContact OE1-CB 3.37Å; E123-R137 WeakPolarHBondContact OE1-CD 3.2Å; E123-R137 WeakPolarHBondContact OE2-CD 3.43Å; E123-R137 IonicContact OE2-NE 3.28Å; E123-R137 IonicContact OE2-NH1 2.83Å
124	R	97.9	Very high	96.7	Very high	83 Å²	83	58.3 Å²	58.3	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.8	172.6	65.5	170.7	67.1	-162.6	1.3	112.1	Y105 V113 I114 E121	Y105-R124 PolarHBondContact O-NH1 3.39Å; Y105-R124 PolarHBondContact O-NH2 3.17Å; Y105-R124 VanDerWaalsContact O-NH2 3.09Å; V113-R124 CarbonylContact O-C 3.53Å; V113-R124 WeakPolarHBondContact O-CA 3.44Å; V113-R124 WeakPolarHBondContact O-CB 3.32Å; I114-R124 HydrophobicContact CB-CB 4.49Å; I114-R124 HydrophobicContact CG1-CB 3.92Å; E121-R124 IonicContact OE1-CZ 4Å; E121-R124 VanDerWaalsContact OE1-CZ 3.25Å; E121-R124 IonicContact OE1-NE 3.8Å; E121-R124 PolarHBondContact OE1-NE 2.88Å; E121-R124 IonicContact OE1-NH2 3.89Å; E121-R124 PolarHBondContact OE1-NH2 3.3Å; E121-R124 IonicContact OE2-CZ 3.31Å; E121-R124 IonicContact OE2-NE 3.84Å; E121-R124 IonicContact OE2-NH2 3.73Å; E121-R124 PolarHBondContact OE2-NH2 3.25Å
125	F	98.2	Very high	96.6	Very high	17 Å²	17	61 Å²	61	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.6	166.8	67.1	-97	0	0	0	111.2	L73 V113 K129 F133 I134 R137	L73-F125 HydrophobicContact CD2-CE2 4.31Å; V113-F125 HydrophobicContact CB-CD1 4.02Å; V113-F125 HydrophobicContact CB-CD2 4.21Å; V113-F125 HydrophobicContact CB-CE1 3.52Å; V113-F125 HydrophobicContact CB-CE2 3.72Å; V113-F125 HydrophobicContact CB-CG 4.36Å; V113-F125 HydrophobicContact CB-CZ 3.36Å; V113-F125 HydrophobicContact CG1-CD1 4.35Å; V113-F125 HydrophobicContact CG1-CE1 3.57Å; V113-F125 HydrophobicContact CG1-CZ 3.68Å; V113-F125 HydrophobicContact CG2-CD2 4.43Å; V113-F125 HydrophobicContact CG2-CE1 4.19Å; V113-F125 HydrophobicContact CG2-CE2 3.62Å; V113-F125 HydrophobicContact CG2-CZ 3.48Å; V113-F125 VanDerWaalsContact CG2-CZ 3.48Å; V113-F125 PolarHBondContact N-O 3.4Å; V113-F125 PolarHBondContact O-N 2.99Å; F125-K129 HydrophobicContact CD2-CG 3.61Å; F125-K129 HydrophobicContact CE2-CB 4.31Å; F125-K129 HydrophobicContact CE2-CG 3.8Å; F125-K129 HydrophobicContact CG-CG 4.39Å; F125-F133 HydrophobicContact CB-CE1 4.06Å; F125-F133 HydrophobicContact CB-CZ 4.31Å; F125-F133 AromaticContact CD1-CE1 3.89Å; F125-F133 HydrophobicContact CD1-CE1 3.89Å; F125-F133 HydrophobicContact CD2-CE1 4.31Å; F125-F133 HydrophobicContact CE1-CE1 4.37Å; F125-F133 AromaticContact CG-CE1 3.84Å; F125-F133 HydrophobicContact CG-CE1 3.84Å; F125-I134 HydrophobicContact CZ-CG1 4.18Å; F125-R137 HydrophobicContact CD1-CG 4.44Å
126	E	98.1	Very high	96.6	Very high	96 Å²	96	66.4 Å²	66.4	45%	0.449	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.8	-179.6	-58.8	-179.7	169.7	0	0	110.9	V109 T112 K129	V109-E126 HydrophobicContact CG1-CB 3.98Å; V109-E126 HydrophobicContact CG1-CG 3.87Å; V109-E126 VanDerWaalsContact CG1-OE2 3.3Å; V109-E126 WeakPolarHBondContact CG1-OE2 3.4Å; T112-E126 HydrophobicContact CG2-CG 4.39Å; E126-K129 VanDerWaalsContact O-CE 3.27Å; E126-K129 WeakPolarHBondContact O-CE 3.43Å
127	G	97.4	Very high	96.5	Very high	25 Å²	25	69.5 Å²	69.5	26%	0.258	33%	0.327	S	S	.	.	S	Bend	trans	77.5	176.7	177.9	0	0	0	0	0	114	P111	P111-G127 PolarHBondContact O-N 3.23Å
128	N	95.2	Very high	96.5	Very high	54 Å²	54	68.6 Å²	68.6	29%	0.289	32%	0.323	S	S	.	.			trans	-71.4	134.7	175.1	-178.1	40.7	0	0	0	110.6	R76	R76-N128 PolarHBondContact NH1-OD1 3.32Å
129	K	97	Very high	96.6	Very high	76 Å²	76	68.3 Å²	68.3	33%	0.33	32%	0.319	S	S	.	.			trans	-127.9	153.9	179.2	-61.9	-64	-178.7	-167.1	0	110.7	R76 F125 E126 F133 I134	R76-K129 WeakPolarHBondContact CD-O 3.37Å; R76-K129 PolarHBondContact NH1-O 3.36Å; F125-K129 HydrophobicContact CD2-CG 3.61Å; F125-K129 HydrophobicContact CE2-CB 4.31Å; F125-K129 HydrophobicContact CE2-CG 3.8Å; F125-K129 HydrophobicContact CG-CG 4.39Å; E126-K129 VanDerWaalsContact O-CE 3.27Å; E126-K129 WeakPolarHBondContact O-CE 3.43Å; K129-F133 HydrophobicContact CB-CB 4.3Å; K129-F133 HydrophobicContact CB-CD1 3.57Å; K129-F133 HydrophobicContact CB-CE1 4.23Å; K129-F133 HydrophobicContact CB-CG 4.16Å; K129-F133 HydrophobicContact CD-CD1 4.14Å; K129-F133 HydrophobicContact CD-CE1 4.17Å; K129-F133 HydrophobicContact CG-CD1 3.64Å; K129-F133 HydrophobicContact CG-CE1 3.78Å; K129-F133 HydrophobicContact CG-CG 4.4Å; K129-I134 HydrophobicContact CB-CD1 4.44Å; K129-I134 HydrophobicContact CB-CG1 4.09Å; K129-I134 WeakPolarHBondContact O-CD1 3.17Å
130	E	96.4	Very high	96.6	Very high	120 Å²	120	70.2 Å²	70.2	56%	0.561	32%	0.322	S	S	*	.			trans	-68.8	155	176.5	-65.6	-50.6	125.8	0	0	112.5	R76 E132 F133 I134	R76-E130 IonicContact CZ-OE2 3.61Å; R76-E130 IonicContact NH1-OE1 2.67Å; R76-E130 PolarHBondContact NH1-OE1 3.47Å; R76-E130 IonicContact NH1-OE2 3.53Å; R76-E130 IonicContact NH2-OE2 2.84Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.93Å; E130-F133 WeakPolarHBondContact O-CB 3.39Å; E130-F133 PolarHBondContact O-N 3.14Å; E130-I134 PolarHBondContact O-N 3.16Å; E130-I134 VanDerWaalsContact O-N 3.16Å
131	E	97	Very high	96.4	Very high	71 Å²	71	63 Å²	63	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-55.7	-43.5	-174.5	170.4	160.1	175.1	0	0	112.8	I80 F133 I134 R135	I80-E131 HydrophobicContact CD1-CB 4.03Å; I80-E131 HydrophobicContact CD1-CG 3.69Å; I80-E131 HydrophobicContact CG1-CG 3.79Å; E131-F133 VanDerWaalsContact C-N 3.3Å; E131-F133 PolarHBondContact O-N 3.2Å; E131-I134 PolarHBondContact O-N 3.42Å; E131-I134 VanDerWaalsContact O-N 3.17Å; E131-R135 HydrophobicContact CG-CG 4.29Å; E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 3.37Å; E131-R135 IonicContact OE1-CZ 3.87Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 3.66Å; E131-R135 PolarHBondContact OE1-NE 3.23Å; E131-R135 IonicContact OE1-NH2 2.7Å; E131-R135 PolarHBondContact OE1-NH2 2.91Å
132	E	97.4	Very high	96.2	Very high	141 Å²	141	61.6 Å²	61.6	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-63.6	-35.1	178.7	-172.2	-178	171.9	0	0	112.7	E130 R136	E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.93Å; E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 PolarHBondContact O-N 2.67Å; E132-R136 PolarHBondContact O-NE 3.37Å
133	F	97.8	Very high	96	Very high	46 Å²	46	61.5 Å²	61.5	20%	0.202	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-47.9	174	178.3	-85.7	0	0	0	110.2	F125 K129 E130 E131 R136 R137	F125-F133 HydrophobicContact CB-CE1 4.06Å; F125-F133 HydrophobicContact CB-CZ 4.31Å; F125-F133 AromaticContact CD1-CE1 3.89Å; F125-F133 HydrophobicContact CD1-CE1 3.89Å; F125-F133 HydrophobicContact CD2-CE1 4.31Å; F125-F133 HydrophobicContact CE1-CE1 4.37Å; F125-F133 AromaticContact CG-CE1 3.84Å; F125-F133 HydrophobicContact CG-CE1 3.84Å; K129-F133 HydrophobicContact CB-CB 4.3Å; K129-F133 HydrophobicContact CB-CD1 3.57Å; K129-F133 HydrophobicContact CB-CE1 4.23Å; K129-F133 HydrophobicContact CB-CG 4.16Å; K129-F133 HydrophobicContact CD-CD1 4.14Å; K129-F133 HydrophobicContact CD-CE1 4.17Å; K129-F133 HydrophobicContact CG-CD1 3.64Å; K129-F133 HydrophobicContact CG-CE1 3.78Å; K129-F133 HydrophobicContact CG-CG 4.4Å; E130-F133 WeakPolarHBondContact O-CB 3.39Å; E130-F133 PolarHBondContact O-N 3.14Å; E131-F133 VanDerWaalsContact C-N 3.3Å; E131-F133 PolarHBondContact O-N 3.2Å; F133-R136 PolarHBondContact O-N 3.39Å; F133-R137 HydrophobicContact CD1-CG 4.26Å; F133-R137 HydrophobicContact CE1-CG 3.88Å; F133-R137 HydrophobicContact CZ-CG 4.28Å; F133-R137 WeakPolarHBondContact O-CG 3.35Å; F133-R137 PolarHBondContact O-N 2.87Å
134	I	97.6	Very high	94.8	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-46	-178.4	-63.1	167.8	0	0	0	110.9	L73 R76 L77 I80 F125 K129 E130 E131 R136 R137 I138	L73-I134 HydrophobicContact CD1-CD1 3.61Å; R76-I134 HydrophobicContact CG-CD1 4.12Å; L77-I134 HydrophobicContact CD2-CG2 3.66Å; I80-I134 HydrophobicContact CD1-CB 3.79Å; I80-I134 HydrophobicContact CD1-CD1 3.96Å; I80-I134 HydrophobicContact CD1-CG1 4.49Å; I80-I134 HydrophobicContact CD1-CG2 3.65Å; I80-I134 HydrophobicContact CG2-CG2 4.4Å; F125-I134 HydrophobicContact CZ-CG1 4.18Å; K129-I134 HydrophobicContact CB-CD1 4.44Å; K129-I134 HydrophobicContact CB-CG1 4.09Å; K129-I134 WeakPolarHBondContact O-CD1 3.17Å; E130-I134 PolarHBondContact O-N 3.16Å; E130-I134 VanDerWaalsContact O-N 3.16Å; E131-I134 PolarHBondContact O-N 3.42Å; E131-I134 VanDerWaalsContact O-N 3.17Å; I134-R136 PolarHBondContact O-N 2.92Å; I134-R137 WeakPolarHBondContact O-CB 3.43Å; I134-R137 PolarHBondContact O-N 2.86Å; I134-R137 VanDerWaalsContact O-N 3.11Å; I134-I138 HydrophobicContact CG2-CD1 3.96Å; I134-I138 WeakPolarHBondContact O-CG1 3.42Å; I134-I138 PolarHBondContact O-N 3.09Å
135	R	97.1	Very high	93	Very high	55 Å²	55	68 Å²	68	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-46.4	177.9	-76	-175.2	178.4	-76.9	-2.5	112.3	I80 S83 Y84 E131 R137 I138 E139	I80-R135 HydrophobicContact CG2-CG 3.77Å; S83-R135 PolarHBondContact OG-NH1 3.45Å; Y84-R135 PolarHBondContact OH-NH1 3.04Å; E131-R135 HydrophobicContact CG-CG 4.29Å; E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 3.37Å; E131-R135 IonicContact OE1-CZ 3.87Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 3.66Å; E131-R135 PolarHBondContact OE1-NE 3.23Å; E131-R135 IonicContact OE1-NH2 2.7Å; E131-R135 PolarHBondContact OE1-NH2 2.91Å; R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R135-I138 PolarHBondContact O-N 3.08Å; R135-I138 VanDerWaalsContact O-N 3.17Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 WeakPolarHBondContact O-CG 2.96Å; R135-E139 PolarHBondContact O-N 3.24Å
136	R	96.4	Very high	90.9	Very high	118 Å²	118	72.6 Å²	72.6	45%	0.445	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-36.6	176.7	-74.6	-174.2	-64.8	160	-6.5	112.7	E132 F133 I134 N140	E132-R136 WeakPolarHBondContact O-CG 3.41Å; E132-R136 PolarHBondContact O-N 2.67Å; E132-R136 PolarHBondContact O-NE 3.37Å; F133-R136 PolarHBondContact O-N 3.39Å; I134-R136 PolarHBondContact O-N 2.92Å; R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 PolarHBondContact O-N 3.05Å; R136-N140 PolarHBondContact O-ND2 3.29Å; R136-N140 PolarHBondContact O-OD1 3.17Å
137	R	95.1	Very high	90.5	Very high	66 Å²	66	71.4 Å²	71.4	25%	0.249	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-46	175.2	-62.9	-59.1	130.8	129.4	-1	111.9	E123 F125 F133 I134 R135 E139 N140 V141	E123-R137 VanDerWaalsContact CD-CD 3.42Å; E123-R137 WeakPolarHBondContact OE1-CA 3.37Å; E123-R137 WeakPolarHBondContact OE1-CB 3.37Å; E123-R137 WeakPolarHBondContact OE1-CD 3.2Å; E123-R137 WeakPolarHBondContact OE2-CD 3.43Å; E123-R137 IonicContact OE2-NE 3.28Å; E123-R137 IonicContact OE2-NH1 2.83Å; F125-R137 HydrophobicContact CD1-CG 4.44Å; F133-R137 HydrophobicContact CD1-CG 4.26Å; F133-R137 HydrophobicContact CE1-CG 3.88Å; F133-R137 HydrophobicContact CZ-CG 4.28Å; F133-R137 WeakPolarHBondContact O-CG 3.35Å; F133-R137 PolarHBondContact O-N 2.87Å; I134-R137 WeakPolarHBondContact O-CB 3.43Å; I134-R137 PolarHBondContact O-N 2.86Å; I134-R137 VanDerWaalsContact O-N 3.11Å; R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.4Å; R137-N140 WeakPolarHBondContact O-CB 3.41Å; R137-N140 PolarHBondContact O-N 3.38Å; R137-V141 VanDerWaalsContact O-CG2 3.3Å; R137-V141 WeakPolarHBondContact O-CG2 3.3Å; R137-V141 PolarHBondContact O-N 3.39Å
138	I	95.9	Very high	90.2	Very high	2 Å²	2	73.8 Å²	73.8	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-58.5	-45.5	175.9	-65.4	170.7	0	0	0	110.6	I59 I80 M81 Y84 V88 I134 R135 V141 L142	I59-I138 HydrophobicContact CD1-CG1 4.34Å; I59-I138 HydrophobicContact CG1-CG1 4.29Å; I80-I138 HydrophobicContact CG2-CD1 3.61Å; M81-I138 HydrophobicContact SD-CD1 4.07Å; Y84-I138 HydrophobicContact CD1-CG2 3.79Å; Y84-I138 HydrophobicContact CD2-CD1 4.34Å; Y84-I138 HydrophobicContact CD2-CG2 3.95Å; Y84-I138 HydrophobicContact CE1-CG2 3.93Å; Y84-I138 HydrophobicContact CE2-CD1 4.32Å; Y84-I138 HydrophobicContact CE2-CG2 4.08Å; Y84-I138 HydrophobicContact CG-CG2 3.81Å; V88-I138 HydrophobicContact CG2-CG2 4.08Å; I134-I138 HydrophobicContact CG2-CD1 3.96Å; I134-I138 WeakPolarHBondContact O-CG1 3.42Å; I134-I138 PolarHBondContact O-N 3.09Å; R135-I138 PolarHBondContact O-N 3.08Å; R135-I138 VanDerWaalsContact O-N 3.17Å; I138-V141 PolarHBondContact O-N 3.39Å; I138-L142 HydrophobicContact CG2-CD1 4.07Å; I138-L142 WeakPolarHBondContact O-CG 3.27Å; I138-L142 PolarHBondContact O-N 3.47Å
139	E	95.2	Very high	89.9	Confident	92 Å²	92	74.9 Å²	74.9	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-39.9	178.1	-73.1	164.7	-172.5	0	0	112.6	Y84 R135 R137 V141 L142 A143	Y84-E139 HydrophobicContact CE1-CG 4.29Å; Y84-E139 PolarHBondContact OH-OE1 3.16Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 WeakPolarHBondContact O-CG 2.96Å; R135-E139 PolarHBondContact O-N 3.24Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.4Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 3.01Å; E139-L142 PolarHBondContact O-N 2.74Å; E139-A143 WeakPolarHBondContact O-CB 3.36Å; E139-A143 PolarHBondContact O-N 3.31Å
140	N	93.8	Very high	89.5	Confident	69 Å²	69	74.9 Å²	74.9	37%	0.369	40%	0.399	S	S	.	.	H	α-helix	trans	-57.6	-48.7	173.6	-73.4	-15.6	0	0	0	110.8	R136 R137 L142 A143 H144	R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 PolarHBondContact O-N 3.05Å; R136-N140 PolarHBondContact O-ND2 3.29Å; R136-N140 PolarHBondContact O-OD1 3.17Å; R137-N140 WeakPolarHBondContact O-CB 3.41Å; R137-N140 PolarHBondContact O-N 3.38Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.34Å; N140-A143 PolarHBondContact O-N 2.05Å; N140-A143 VanDerWaalsContact O-N 3.13Å; N140-H144 PolarHBondContact O-N 3.19Å; N140-H144 PolarHBondContact O-ND1 2.65Å
141	V	92.4	Very high	89	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-36	-179.4	174.2	0	0	0	0	112	P57 S115 K117 R137 I138 E139	P57-V141 HydrophobicContact CB-CG1 3.43Å; P57-V141 VanDerWaalsContact CB-CG1 3.43Å; P57-V141 HydrophobicContact CG-CG1 4.21Å; S115-V141 WeakPolarHBondContact OG-CG2 3.06Å; K117-V141 PolarHBondContact NZ-O 2.82Å; R137-V141 VanDerWaalsContact O-CG2 3.3Å; R137-V141 WeakPolarHBondContact O-CG2 3.3Å; R137-V141 PolarHBondContact O-N 3.39Å; I138-V141 PolarHBondContact O-N 3.39Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 3.01Å
142	L	93.3	Very high	88.5	Confident	49 Å²	49	72.1 Å²	72.1	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-68.5	-38.4	173.9	-73.6	172.2	0	0	0	112.4	P57 Y84 V88 I138 E139 N140	P57-L142 HydrophobicContact CG-CD2 4.43Å; Y84-L142 HydrophobicContact CD1-CD1 3.7Å; Y84-L142 HydrophobicContact CE1-CD1 4.08Å; V88-L142 HydrophobicContact CG2-CD1 3.92Å; V88-L142 HydrophobicContact CG2-CD2 3.48Å; V88-L142 VanDerWaalsContact CG2-CD2 3.48Å; V88-L142 HydrophobicContact CG2-CG 3.73Å; I138-L142 HydrophobicContact CG2-CD1 4.07Å; I138-L142 WeakPolarHBondContact O-CG 3.27Å; I138-L142 PolarHBondContact O-N 3.47Å; E139-L142 PolarHBondContact O-N 2.74Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.34Å
143	A	89.6	Confident	87.9	Confident	71 Å²	71	67.2 Å²	67.2	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-73.1	-28.7	-179.6	0	0	0	0	0	113.7	E139 N140 N145	E139-A143 WeakPolarHBondContact O-CB 3.36Å; E139-A143 PolarHBondContact O-N 3.31Å; N140-A143 PolarHBondContact O-N 2.05Å; N140-A143 VanDerWaalsContact O-N 3.13Å; A143-N145 VanDerWaalsContact C-N 3.35Å; A143-N145 PolarHBondContact O-N 3.25Å
144	H	72.7	Confident	87.1	Confident	109 Å²	109	68.8 Å²	68.8	51%	0.505	39%	0.387	S	S	.	.			trans	-74.9	81	-178.7	-77.9	78	0	0	0	111.8	K117 N140 G146	K117-H144 VanDerWaalsContact CE-O 3.28Å; K117-H144 WeakPolarHBondContact CE-O 3.45Å; K117-H144 PolarHBondContact NZ-O 3.03Å; N140-H144 PolarHBondContact O-N 3.19Å; N140-H144 PolarHBondContact O-ND1 2.65Å; H144-G146 PolarHBondContact O-N 2.84Å; H144-G146 VanDerWaalsContact O-N 3.16Å
145	N	59.8	Low	86.2	Confident	147 Å²	147	74.4 Å²	74.4	79%	0.786	42%	0.419	S	S	*	.			trans	-81.7	83.3	171.2	-67.8	-39.5	0	0	0	110.5	A143	A143-N145 VanDerWaalsContact C-N 3.35Å; A143-N145 PolarHBondContact O-N 3.25Å
146	G	53.3	Low	85.2	Confident	114 Å²	114	76.2 Å²	76.2	100%	1.175	44%	0.438	S	S	*	.			trans	132.6	0	169.9	0	0	0	0	0	113.5	H144	H144-G146 PolarHBondContact O-N 2.84Å; H144-G146 VanDerWaalsContact O-N 3.16Å

Retrieved 146 of 146 residues in 83.2 ms (Link to these results)

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