A0A077ZBG6_TRITR Loading...

Asp23 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	41.2	Very low	244 Å²	244	144.5 Å²	144.5	100%	1.202	83%	0.832	S	S	*	*				0	128.1	0	-81.4	161.2	167.9	0	0	107.4
2	E	43.8	Very low	41.8	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	82%	0.824	S	S	*	*			trans	65.2	110.5	165.6	-124	157.5	-170.5	0	0	120.8
3	N	31.2	Very low	42.1	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	81%	0.811	S	S	*	*			trans	-96.5	120.5	171	-163.9	34.8	0	0	0	106.3
4	T	44.4	Very low	43.2	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	80%	0.801	S	S	*	*			trans	-136	89.7	168.6	-45.5	0	0	0	0	111.1
5	T	39.9	Very low	43.8	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	79%	0.788	S	S	*	*				39.6	105.9	126.5	-46.8	0	0	0	0	118.6
6	T	36.6	Very low	44.7	Very low	137 Å²	137	136.6 Å²	136.6	84%	0.84	78%	0.782	S	S	*	*			trans	-51.7	132.4	149.3	36.3	0	0	0	0	112.1
7	K	48.2	Very low	45.7	Very low	200 Å²	200	137.1 Å²	137.1	87%	0.87	78%	0.776	S	S	*	*			trans	-135.2	100.8	153.8	-119.6	-177.9	-176.4	-179.1	0	110.1
8	S	40.8	Very low	47.2	Very low	122 Å²	122	136.8 Å²	136.8	85%	0.853	77%	0.772	S	S	*	*			trans	-48.1	133.6	155.4	173.2	0	0	0	0	109.9
9	G	40	Very low	49	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	77%	0.773	S	S	*	*			trans	-145.5	78.9	178.9	0	0	0	0	0	109.9
10	A	45.3	Very low	51.1	Low	80 Å²	80	139.8 Å²	139.8	66%	0.661	78%	0.779	S	S	*	*			trans	49.8	100.5	148.4	0	0	0	0	0	118.5	T12	A10-T12 PolarHBondContact O-N 2.9Å
11	D	39.8	Very low	53	Low	162 Å²	162	136.5 Å²	136.5	87%	0.866	78%	0.776	S	S	*	*			trans	-37.5	96.5	144.4	-68.2	-63.6	0	0	0	111.7	N13	D11-N13 VanDerWaalsContact C-N 3.25Å; D11-N13 PolarHBondContact O-N 3.38Å
12	T	48	Very low	55.3	Low	120 Å²	120	132.2 Å²	132.2	74%	0.736	76%	0.758	S	S	*	*			trans	-93.1	75	155.8	-40	0	0	0	0	106.2	A10 V14	A10-T12 PolarHBondContact O-N 2.9Å; T12-V14 HydrophobicContact CG2-CG2 3.74Å; T12-V14 PolarHBondContact O-N 2.84Å
13	N	46	Very low	57.7	Low	123 Å²	123	129.5 Å²	129.5	66%	0.658	75%	0.749	S	S	*	*			trans	-70.5	78.9	166.8	-158	-40.8	0	0	0	106.6	D11 N15	D11-N13 VanDerWaalsContact C-N 3.25Å; D11-N13 PolarHBondContact O-N 3.38Å; N13-N15 PolarHBondContact O-N 2.83Å
14	V	57.9	Low	60.8	Low	110 Å²	110	127 Å²	127	67%	0.667	74%	0.74	S	S	*	*			trans	-64.9	93.5	166.2	-170.2	0	0	0	0	104.3	T12 N16	T12-V14 HydrophobicContact CG2-CG2 3.74Å; T12-V14 PolarHBondContact O-N 2.84Å; V14-N16 PolarHBondContact O-N 2.69Å
15	N	51.5	Low	63.3	Low	114 Å²	114	124.3 Å²	124.3	61%	0.61	72%	0.716	S	S	*	*			trans	-59.3	78.8	165.2	-101.7	-54.1	0	0	0	107.2	N13 Q17	N13-N15 PolarHBondContact O-N 2.83Å; N15-Q17 HydrophobicContact CB-CG 4.4Å; N15-Q17 PolarHBondContact O-N 2.84Å; N15-Q17 PolarHBondContact OD1-NE2 3.11Å; N15-Q17 VanDerWaalsContact OD1-NE2 3.11Å
16	N	59	Low	65.9	Low	130 Å²	130	125.4 Å²	125.4	70%	0.695	71%	0.714	S	S	*	*			trans	-74.4	74.5	168	-155.8	-0.6	0	0	0	105.2	V14 N18	V14-N16 PolarHBondContact O-N 2.69Å; N16-N18 PolarHBondContact O-N 2.77Å
17	Q	60.2	Low	68.6	Low	145 Å²	145	122.1 Å²	122.1	68%	0.678	69%	0.691	S	S	*	*			trans	-63.9	86.1	166.2	-64	-65.4	-39.5	0	0	104.7	N15 V19	N15-Q17 HydrophobicContact CB-CG 4.4Å; N15-Q17 PolarHBondContact O-N 2.84Å; N15-Q17 PolarHBondContact OD1-NE2 3.11Å; N15-Q17 VanDerWaalsContact OD1-NE2 3.11Å; Q17-V19 VanDerWaalsContact C-N 3.33Å; Q17-V19 PolarHBondContact O-N 3.08Å
18	N	72.9	Confident	70.7	Confident	131 Å²	131	118.8 Å²	118.8	70%	0.701	68%	0.677	S	S	*	*			trans	-66	96.9	-175	-161.6	-13.5	0	0	0	106.7	N16 K20	N16-N18 PolarHBondContact O-N 2.77Å; N18-K20 PolarHBondContact O-N 2.86Å; N18-K20 VanDerWaalsContact O-N 3.08Å
19	V	82.7	Confident	73.2	Confident	131 Å²	131	115.8 Å²	115.8	79%	0.794	65%	0.653	S	S	*	*			trans	-64.4	110.5	179.9	179.6	0	0	0	0	106.7	Q17	Q17-V19 VanDerWaalsContact C-N 3.33Å; Q17-V19 PolarHBondContact O-N 3.08Å
20	K	89.8	Confident	75.8	Confident	203 Å²	203	112.3 Å²	112.3	88%	0.883	62%	0.617	S	S	*	*			trans	-70.3	136.7	174.9	-63.7	-175.6	178.9	-177.6	0	109.2	N18	N18-K20 PolarHBondContact O-N 2.86Å; N18-K20 VanDerWaalsContact O-N 3.08Å
21	G	91.2	Very high	78.1	Confident	71 Å²	71	109.4 Å²	109.4	73%	0.732	59%	0.59	S	S	*	*			trans	-158	161	175.2	0	0	0	0	0	111.2
22	D	92.2	Very high	80.6	Confident	154 Å²	154	106.4 Å²	106.4	82%	0.824	57%	0.57	S	S	*	*			trans	-111.7	140.3	175.4	-69.3	-42.7	0	0	0	109.4
23	L	94.4	Very high	82.7	Confident	130 Å²	130	101.6 Å²	101.6	68%	0.681	54%	0.539	S	S	*	.			trans	-114.4	127.3	171.3	177.1	62.5	0	0	0	108	Y25	L23-Y25 HydrophobicContact CD2-CE2 4.31Å; L23-Y25 WeakPolarHBondContact CD2-OH 3.04Å; L23-Y25 HydrophobicContact CG-CE2 4.24Å
24	T	95.5	Very high	85.1	Confident	104 Å²	104	95.8 Å²	95.8	64%	0.638	51%	0.508	S	S	*	.			trans	-133.3	154	177.5	55.9	0	0	0	0	109.4
25	Y	96.9	Very high	86.6	Confident	62 Å²	62	90.5 Å²	90.5	24%	0.243	48%	0.476	C	S	.	.			trans	-116.3	137.1	177.5	-61.2	-84.8	0	0	0	109.2	L23 V29 I30 T111 L113	L23-Y25 HydrophobicContact CD2-CE2 4.31Å; L23-Y25 WeakPolarHBondContact CD2-OH 3.04Å; L23-Y25 HydrophobicContact CG-CE2 4.24Å; Y25-V29 HydrophobicContact CD1-CG1 4.24Å; Y25-I30 HydrophobicContact CG-CD1 4.24Å; Y25-T111 HydrophobicContact CD1-CG2 4.29Å; Y25-T111 HydrophobicContact CD2-CG2 4.47Å; Y25-T111 HydrophobicContact CE1-CG2 4.01Å; Y25-T111 HydrophobicContact CE2-CG2 4.2Å; Y25-L113 HydrophobicContact CD2-CD1 3.92Å; Y25-L113 HydrophobicContact CD2-CG 4.44Å
26	E	94.9	Very high	88.4	Confident	131 Å²	131	89.1 Å²	89.1	61%	0.612	47%	0.468	S	S	*	.			trans	-75.1	147.8	168.1	-65	-72.1	160.2	0	0	109.4	K28 V29	E26-K28 HydrophobicContact CB-CG 4Å; E26-K28 PolarHBondContact O-N 3.47Å; E26-K28 VanDerWaalsContact O-N 3.16Å; E26-V29 HydrophobicContact CB-CG2 4.31Å; E26-V29 WeakPolarHBondContact O-CB 3.27Å; E26-V29 PolarHBondContact O-N 3.01Å
27	D	93.6	Very high	90	Very high	68 Å²	68	83.8 Å²	83.8	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-48.4	-45.9	177	-65.2	-13.1	0	0	0	111.8	V29 I30 Q31 T71 V73	D27-V29 PolarHBondContact O-N 2.86Å; D27-I30 PolarHBondContact O-N 3.21Å; D27-Q31 VanDerWaalsContact O-CG 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.31Å; D27-Q31 PolarHBondContact O-N 3.09Å; D27-T71 WeakPolarHBondContact CB-OG1 3.36Å; D27-V73 WeakPolarHBondContact OD1-CB 3.22Å; D27-V73 WeakPolarHBondContact OD1-CG2 3.4Å; D27-V73 PolarHBondContact OD1-N 3.2Å
28	K	92.3	Very high	91.6	Very high	130 Å²	130	77 Å²	77	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-57.2	-27.6	179.3	70.8	-177.1	178.9	-175.4	0	114.7	E26 K32 T66	E26-K28 HydrophobicContact CB-CG 4Å; E26-K28 PolarHBondContact O-N 3.47Å; E26-K28 VanDerWaalsContact O-N 3.16Å; K28-K32 VanDerWaalsContact O-CB 3.3Å; K28-K32 WeakPolarHBondContact O-CB 3.4Å; K28-K32 PolarHBondContact O-N 2.88Å; K28-K32 VanDerWaalsContact O-N 3.13Å; K28-T66 HydrophobicContact CB-CG2 4.23Å
29	V	93.4	Very high	92.2	Very high	59 Å²	59	74.9 Å²	74.9	36%	0.358	40%	0.396	S	S	.	.	H	α-helix	trans	-73.3	-44.7	177	178.5	0	0	0	0	109.5	Y25 E26 D27 K32 I33	Y25-V29 HydrophobicContact CD1-CG1 4.24Å; E26-V29 HydrophobicContact CB-CG2 4.31Å; E26-V29 WeakPolarHBondContact O-CB 3.27Å; E26-V29 PolarHBondContact O-N 3.01Å; D27-V29 PolarHBondContact O-N 2.86Å; V29-K32 PolarHBondContact O-N 2.97Å; V29-I33 HydrophobicContact CG1-CD1 4.33Å; V29-I33 WeakPolarHBondContact O-CG1 3.17Å; V29-I33 PolarHBondContact O-N 2.76Å
30	I	95.4	Very high	92.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-67.2	-45.3	178.5	-55.1	-51.7	0	0	0	110.5	Y25 D27 K32 I33 I34 T71 V73 V78 V107 T111 L113	Y25-I30 HydrophobicContact CG-CD1 4.24Å; D27-I30 PolarHBondContact O-N 3.21Å; I30-K32 PolarHBondContact O-N 3.21Å; I30-I33 HydrophobicContact CD1-CD1 4.36Å; I30-I33 PolarHBondContact O-N 2.86Å; I30-I33 VanDerWaalsContact O-N 3.11Å; I30-I34 HydrophobicContact CG2-CD1 3.89Å; I30-I34 WeakPolarHBondContact O-CG1 3.23Å; I30-I34 PolarHBondContact O-N 3.17Å; I30-T71 HydrophobicContact CG2-CG2 4.15Å; I30-V73 HydrophobicContact CB-CG2 3.98Å; I30-V73 HydrophobicContact CG1-CG1 4.15Å; I30-V73 HydrophobicContact CG1-CG2 3.52Å; I30-V73 HydrophobicContact CG2-CG2 4.41Å; I30-V78 HydrophobicContact CG2-CG1 3.88Å; I30-V78 HydrophobicContact CG2-CG2 4.34Å; I30-V107 HydrophobicContact CG2-CG1 4.44Å; I30-V107 HydrophobicContact CG2-CG2 4.16Å; I30-T111 HydrophobicContact CD1-CG2 3.79Å; I30-L113 HydrophobicContact CD1-CD1 4.1Å
31	Q	93	Very high	92.5	Very high	20 Å²	20	66.3 Å²	66.3	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-54.3	-41.6	173.3	-68.7	165.6	-8.1	0	0	111.7	D27 I34 G35 T66 I69 T71	D27-Q31 VanDerWaalsContact O-CG 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.31Å; D27-Q31 PolarHBondContact O-N 3.09Å; Q31-I34 PolarHBondContact O-N 3.31Å; Q31-G35 PolarHBondContact O-N 3.1Å; Q31-T66 HydrophobicContact CB-CG2 3.53Å; Q31-T66 HydrophobicContact CG-CG2 4.4Å; Q31-T66 VanDerWaalsContact OE1-CG2 3.22Å; Q31-T66 PolarHBondContact OE1-OG1 3.38Å; Q31-I69 HydrophobicContact CB-CB 4.47Å; Q31-I69 HydrophobicContact CB-CG2 4.42Å; Q31-I69 VanDerWaalsContact CD-O 3.24Å; Q31-I69 HydrophobicContact CG-CB 4.34Å; Q31-I69 HydrophobicContact CG-CG2 4.13Å; Q31-I69 WeakPolarHBondContact CG-O 3.39Å; Q31-I69 PolarHBondContact NE2-O 2.97Å; Q31-I69 VanDerWaalsContact NE2-O 3.12Å; Q31-T71 HydrophobicContact CG-CG2 3.68Å; Q31-T71 WeakPolarHBondContact CG-OG1 3.37Å; Q31-T71 PolarHBondContact NE2-OG1 3.29Å
32	K	91.4	Very high	92.7	Very high	99 Å²	99	67.3 Å²	67.3	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-40.1	177.3	-172.7	168.5	-172.6	169.8	0	113.1	K28 V29 I30 I34 I36	K28-K32 VanDerWaalsContact O-CB 3.3Å; K28-K32 WeakPolarHBondContact O-CB 3.4Å; K28-K32 PolarHBondContact O-N 2.88Å; K28-K32 VanDerWaalsContact O-N 3.13Å; V29-K32 PolarHBondContact O-N 2.97Å; I30-K32 PolarHBondContact O-N 3.21Å; K32-I34 VanDerWaalsContact C-N 3.34Å; K32-I36 HydrophobicContact CG-CD1 3.93Å; K32-I36 WeakPolarHBondContact O-CB 3.4Å; K32-I36 WeakPolarHBondContact O-CD1 3.37Å; K32-I36 VanDerWaalsContact O-CG1 3.25Å; K32-I36 WeakPolarHBondContact O-CG1 3.23Å; K32-I36 PolarHBondContact O-N 3.27Å
33	I	93.9	Very high	92.9	Very high	18 Å²	18	60 Å²	60	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-48.9	174.6	-68.3	165.7	0	0	0	109.5	V29 I30 I36 A37 E106 V107 M110 T111	V29-I33 HydrophobicContact CG1-CD1 4.33Å; V29-I33 WeakPolarHBondContact O-CG1 3.17Å; V29-I33 PolarHBondContact O-N 2.76Å; I30-I33 HydrophobicContact CD1-CD1 4.36Å; I30-I33 PolarHBondContact O-N 2.86Å; I30-I33 VanDerWaalsContact O-N 3.11Å; I33-I36 PolarHBondContact O-N 3.37Å; I33-A37 WeakPolarHBondContact O-CB 3.42Å; I33-A37 PolarHBondContact O-N 3.37Å; I33-E106 HydrophobicContact CG2-CB 4.19Å; I33-V107 HydrophobicContact CG2-CG2 4.21Å; I33-M110 HydrophobicContact CD1-CB 4.28Å; I33-M110 HydrophobicContact CD1-CE 4.4Å; I33-M110 HydrophobicContact CD1-SD 4.23Å; I33-M110 HydrophobicContact CG1-CE 4.37Å; I33-M110 HydrophobicContact CG1-SD 4.07Å; I33-M110 HydrophobicContact CG2-SD 4.1Å; I33-T111 HydrophobicContact CD1-CG2 3.8Å
34	I	94.4	Very high	92.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-53.6	179.1	-69.7	167.7	0	0	0	110.3	I30 Q31 K32 I36 A37 L38 I69 T71 V80 M82 I103 V107	I30-I34 HydrophobicContact CG2-CD1 3.89Å; I30-I34 WeakPolarHBondContact O-CG1 3.23Å; I30-I34 PolarHBondContact O-N 3.17Å; Q31-I34 PolarHBondContact O-N 3.31Å; K32-I34 VanDerWaalsContact C-N 3.34Å; I34-I36 VanDerWaalsContact C-N 3.29Å; I34-I36 PolarHBondContact O-N 3.37Å; I34-A37 WeakPolarHBondContact O-CA 3.44Å; I34-A37 WeakPolarHBondContact O-CB 3.35Å; I34-A37 PolarHBondContact O-N 3.47Å; I34-L38 HydrophobicContact CG2-CD1 3.69Å; I34-L38 HydrophobicContact CG2-CG 4.2Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.02Å; I34-I69 HydrophobicContact CB-CD1 4.32Å; I34-I69 HydrophobicContact CB-CG2 4.42Å; I34-I69 HydrophobicContact CD1-CG2 4.21Å; I34-I69 HydrophobicContact CG2-CD1 3.8Å; I34-I69 HydrophobicContact CG2-CG1 4.42Å; I34-I69 HydrophobicContact CG2-CG2 4.01Å; I34-T71 HydrophobicContact CD1-CG2 3.86Å; I34-V80 HydrophobicContact CD1-CB 4.43Å; I34-V80 HydrophobicContact CD1-CG1 3.83Å; I34-V80 HydrophobicContact CD1-CG2 3.64Å; I34-M82 HydrophobicContact CG2-CE 3.95Å; I34-I103 HydrophobicContact CD1-CG2 4.3Å; I34-I103 HydrophobicContact CG1-CG2 4.1Å; I34-I103 HydrophobicContact CG2-CD1 4.22Å; I34-I103 HydrophobicContact CG2-CG1 4.03Å; I34-V107 HydrophobicContact CD1-CG2 4.38Å; I34-V107 HydrophobicContact CG1-CG2 3.91Å
35	G	90.8	Very high	92.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-33.8	-176.2	0	0	0	0	0	113.4	Q31 F51 F52	Q31-G35 PolarHBondContact O-N 3.1Å; G35-F51 WeakPolarHBondContact O-CE1 3.42Å; G35-F52 WeakPolarHBondContact O-CE1 3.48Å
36	I	89.6	Confident	92.4	Very high	85 Å²	85	47.1 Å²	47.1	44%	0.436	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-42.4	171.1	-68.3	167	0	0	0	110.8	K32 I33 I34 L38 E39	K32-I36 HydrophobicContact CG-CD1 3.93Å; K32-I36 WeakPolarHBondContact O-CB 3.4Å; K32-I36 WeakPolarHBondContact O-CD1 3.37Å; K32-I36 VanDerWaalsContact O-CG1 3.25Å; K32-I36 WeakPolarHBondContact O-CG1 3.23Å; K32-I36 PolarHBondContact O-N 3.27Å; I33-I36 PolarHBondContact O-N 3.37Å; I34-I36 VanDerWaalsContact C-N 3.29Å; I34-I36 PolarHBondContact O-N 3.37Å; I36-L38 VanDerWaalsContact C-N 3.26Å; I36-L38 PolarHBondContact O-N 3Å; I36-E39 PolarHBondContact O-N 2.86Å
37	A	92.3	Very high	92.1	Very high	18 Å²	18	40.9 Å²	40.9	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-38.6	179.7	0	0	0	0	0	111.5	I33 I34 E39 L102 E106	I33-A37 WeakPolarHBondContact O-CB 3.42Å; I33-A37 PolarHBondContact O-N 3.37Å; I34-A37 WeakPolarHBondContact O-CA 3.44Å; I34-A37 WeakPolarHBondContact O-CB 3.35Å; I34-A37 PolarHBondContact O-N 3.47Å; A37-E39 VanDerWaalsContact C-N 3.34Å; A37-E39 PolarHBondContact O-N 3.03Å; A37-L102 HydrophobicContact CB-CD2 4.48Å; A37-L102 HydrophobicContact CB-CG 4.17Å; A37-L102 WeakPolarHBondContact O-CD2 3.36Å; A37-E106 HydrophobicContact CB-CB 4.22Å; A37-E106 HydrophobicContact CB-CG 4.17Å
38	L	92.9	Very high	91.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-76.8	-10.5	-176.1	-64.6	179	0	0	0	115.1	I34 I36 N40 I41 L44 V47 F52 M82 M99 I103	I34-L38 HydrophobicContact CG2-CD1 3.69Å; I34-L38 HydrophobicContact CG2-CG 4.2Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.02Å; I36-L38 VanDerWaalsContact C-N 3.26Å; I36-L38 PolarHBondContact O-N 3Å; L38-N40 PolarHBondContact O-N 3.02Å; L38-I41 HydrophobicContact CD2-CD1 3.44Å; L38-I41 VanDerWaalsContact CD2-CD1 3.44Å; L38-I41 PolarHBondContact O-N 2.94Å; L38-L44 HydrophobicContact CB-CD2 3.99Å; L38-L44 HydrophobicContact CD2-CD2 4.48Å; L38-V47 HydrophobicContact CD1-CG2 3.85Å; L38-F52 HydrophobicContact CB-CZ 4.02Å; L38-M82 HydrophobicContact CD1-CE 4.19Å; L38-M82 HydrophobicContact CD1-SD 3.86Å; L38-M99 HydrophobicContact CD1-CE 4.34Å; L38-M99 HydrophobicContact CD2-CB 3.98Å; L38-M99 HydrophobicContact CD2-CE 4.35Å; L38-M99 HydrophobicContact CD2-CG 3.85Å; L38-I103 HydrophobicContact CD1-CD1 4.38Å; L38-I103 HydrophobicContact CD2-CD1 4.06Å; L38-I103 HydrophobicContact CD2-CG1 3.99Å; L38-I103 HydrophobicContact CG-CG1 4.44Å
39	E	86.5	Confident	89.7	Confident	88 Å²	88	36.9 Å²	36.9	41%	0.411	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.1	-172.5	-174.5	179.8	-168.7	0	0	114.2	I36 A37 F52 M55	I36-E39 PolarHBondContact O-N 2.86Å; A37-E39 VanDerWaalsContact C-N 3.34Å; A37-E39 PolarHBondContact O-N 3.03Å; E39-F52 HydrophobicContact CB-CE1 4.19Å; E39-M55 HydrophobicContact CG-CE 4.12Å; E39-M55 VanDerWaalsContact OE1-CE 3.25Å; E39-M55 WeakPolarHBondContact OE1-CE 3.29Å; E39-M55 WeakPolarHBondContact OE2-CE 3.37Å
40	N	84.7	Confident	88.1	Confident	140 Å²	140	35.1 Å²	35.1	75%	0.749	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	27	-171.4	-63.1	-73.7	0	0	0	114.1	L38 D42	L38-N40 PolarHBondContact O-N 3.02Å; N40-D42 PolarHBondContact O-N 2.64Å
41	I	94.1	Very high	86.2	Confident	13 Å²	13	35.3 Å²	35.3	7%	0.067	20%	0.196	C	C	.	.			trans	-80.1	120.8	174.3	-67.8	-175.2	0	0	0	109.8	L38 G43 L44 V95 Q98 M99 L102	L38-I41 HydrophobicContact CD2-CD1 3.44Å; L38-I41 VanDerWaalsContact CD2-CD1 3.44Å; L38-I41 PolarHBondContact O-N 2.94Å; I41-G43 PolarHBondContact O-N 3.07Å; I41-L44 HydrophobicContact CB-CB 3.97Å; I41-L44 HydrophobicContact CB-CD2 4.31Å; I41-L44 HydrophobicContact CG2-CB 3.92Å; I41-L44 PolarHBondContact O-N 3.42Å; I41-L44 VanDerWaalsContact O-N 3.13Å; I41-V95 HydrophobicContact CG2-CG1 4.07Å; I41-Q98 HydrophobicContact CG2-CB 4.32Å; I41-M99 HydrophobicContact CD1-CB 4.02Å; I41-M99 HydrophobicContact CD1-CG 3.45Å; I41-M99 VanDerWaalsContact CD1-CG 3.45Å; I41-M99 HydrophobicContact CG2-CG 4.34Å; I41-L102 HydrophobicContact CD1-CD2 4.08Å; I41-L102 HydrophobicContact CG1-CD2 4.07Å
42	D	95	Very high	84.6	Confident	93 Å²	93	35.8 Å²	35.8	50%	0.497	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	124.9	177.4	179.6	49.5	0	0	0	110.3	N40 L44 K90	N40-D42 PolarHBondContact O-N 2.64Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-K90 IonicContact OD1-NZ 3.5Å; D42-K90 PolarHBondContact OD1-NZ 3.27Å; D42-K90 IonicContact OD2-NZ 2.73Å; D42-K90 PolarHBondContact OD2-NZ 2.77Å
43	G	96	Very high	82.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-9.8	-178	0	0	0	0	0	115.8	I41 V86 E87	I41-G43 PolarHBondContact O-N 3.07Å; G43-V86 CarbonylContact O-C 3.49Å; G43-V86 WeakPolarHBondContact O-CA 3.35Å; G43-V86 WeakPolarHBondContact O-CG1 3.24Å; G43-E87 PolarHBondContact O-N 3.16Å
44	L	94.8	Very high	80.8	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.7	166	-178.4	62	0	0	0	108.6	L38 I41 D42 V47 F52 I84 V95 M99	L38-L44 HydrophobicContact CB-CD2 3.99Å; L38-L44 HydrophobicContact CD2-CD2 4.48Å; I41-L44 HydrophobicContact CB-CB 3.97Å; I41-L44 HydrophobicContact CB-CD2 4.31Å; I41-L44 HydrophobicContact CG2-CB 3.92Å; I41-L44 PolarHBondContact O-N 3.42Å; I41-L44 VanDerWaalsContact O-N 3.13Å; D42-L44 VanDerWaalsContact C-N 3.34Å; L44-V47 HydrophobicContact CD2-CG2 4.41Å; L44-F52 HydrophobicContact CD2-CE2 4.35Å; L44-F52 HydrophobicContact CD2-CZ 4.33Å; L44-F52 HydrophobicContact CG-CE2 4.45Å; L44-I84 HydrophobicContact CD1-CB 3.74Å; L44-I84 HydrophobicContact CD1-CD1 4.03Å; L44-I84 HydrophobicContact CD1-CG1 4.46Å; L44-I84 HydrophobicContact CD1-CG2 3.85Å; L44-V95 HydrophobicContact CB-CG1 4.27Å; L44-M99 HydrophobicContact CD1-SD 4.3Å; L44-M99 HydrophobicContact CD2-CE 4.44Å; L44-M99 HydrophobicContact CD2-CG 4.47Å; L44-M99 HydrophobicContact CD2-SD 4.33Å
45	L	91.5	Very high	78.8	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-51.6	176.6	-67	178.4	0	0	0	110.8	V85 E87 K126 Y131	L45-V85 HydrophobicContact CB-CB 4.38Å; L45-V85 HydrophobicContact CB-CG1 4.21Å; L45-V85 WeakPolarHBondContact CB-O 3.42Å; L45-V85 HydrophobicContact CD1-CG1 4Å; L45-V85 PolarHBondContact N-O 3.04Å; L45-E87 HydrophobicContact CD1-CB 4.2Å; L45-E87 HydrophobicContact CD2-CB 3.87Å; L45-E87 HydrophobicContact CD2-CG 4.18Å; L45-E87 HydrophobicContact CG-CB 3.87Å; L45-K126 HydrophobicContact CD1-CB 3.83Å; L45-K126 WeakPolarHBondContact CD1-O 3.45Å; L45-Y131 HydrophobicContact CB-CD1 4.39Å; L45-Y131 HydrophobicContact CB-CD2 4.2Å; L45-Y131 HydrophobicContact CB-CE2 4.47Å; L45-Y131 HydrophobicContact CB-CG 4.17Å; L45-Y131 HydrophobicContact CD1-CG 4.31Å; L45-Y131 HydrophobicContact CD2-CD1 4.41Å; L45-Y131 HydrophobicContact CD2-CG 4.5Å
46	T	90.4	Very high	77	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.6	173.7	-164.3	0	0	0	0	112.8	I84 V85 Y131	T46-I84 CarbonylContact O-C 3.59Å; T46-I84 WeakPolarHBondContact O-CA 3.42Å; T46-V85 HydrophobicContact CG2-CB 3.87Å; T46-V85 HydrophobicContact CG2-CG2 3.75Å; T46-V85 PolarHBondContact N-O 3.32Å; T46-V85 PolarHBondContact O-N 3.44Å; T46-Y131 WeakPolarHBondContact CB-OH 3.42Å; T46-Y131 HydrophobicContact CG2-CE2 3.7Å
47	V	89.1	Confident	75.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.9	153	-170.3	0	0	0	0	106.7	L38 L44 F52 G68 I69 M82 D83 I84	L38-V47 HydrophobicContact CD1-CG2 3.85Å; L44-V47 HydrophobicContact CD2-CG2 4.41Å; V47-F52 HydrophobicContact CG2-CE2 4.26Å; V47-F52 HydrophobicContact CG2-CZ 4.2Å; V47-G68 VanDerWaalsContact CG1-O 3.31Å; V47-G68 WeakPolarHBondContact CG1-O 3.4Å; V47-I69 HydrophobicContact CG1-CG1 3.8Å; V47-M82 HydrophobicContact CG1-CB 4.04Å; V47-D83 CarbonylContact C-O 3.55Å; V47-D83 WeakPolarHBondContact CA-O 3.37Å; V47-D83 VanDerWaalsContact CG1-O 3.24Å; V47-D83 WeakPolarHBondContact CG1-O 3.04Å; V47-I84 HydrophobicContact CG1-CG2 4.43Å; V47-I84 HydrophobicContact CG2-CG2 4.24Å
48	D	73.1	Confident	73	Confident	75 Å²	75	54.9 Å²	54.9	40%	0.401	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	151.7	-175.8	-174.9	39.6	0	0	0	111	G68 D83 V123	D48-G68 WeakPolarHBondContact O-CA 3.35Å; D48-G68 PolarHBondContact O-N 3.41Å; D48-D83 HydrophobicContact CB-CB 3.59Å; D48-D83 PolarHBondContact N-O 3.49Å; D48-V123 HydrophobicContact CB-CG2 4.02Å
49	G	62.4	Low	70.8	Confident	39 Å²	39	63.5 Å²	63.5	40%	0.402	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	1.4	-171	0	0	0	0	0	115.1	A67	G49-A67 VanDerWaalsContact O-CB 3.31Å; G49-A67 WeakPolarHBondContact O-CB 3.38Å
50	G	57.9	Low	68.7	Low	21 Å²	21	64.2 Å²	64.2	22%	0.216	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	22	167.9	0	0	0	0	0	114.7	F52 S53 N54	G50-F52 VanDerWaalsContact C-N 3.29Å; G50-F52 PolarHBondContact O-N 3.05Å; G50-S53 WeakPolarHBondContact O-CB 3.48Å; G50-S53 PolarHBondContact O-N 2.79Å; G50-N54 PolarHBondContact O-N 3.09Å; G50-N54 PolarHBondContact O-OD1 3.02Å
51	F	55.9	Low	66.8	Low	5 Å²	5	65.6 Å²	65.6	2%	0.022	35%	0.35	C	S	.	.	H	α-helix	trans	-49.5	-48.3	-179.2	-176.4	-87.3	0	0	0	112.4	G35 N54 M65 I69	G35-F51 WeakPolarHBondContact O-CE1 3.42Å; F51-N54 PolarHBondContact O-N 3.31Å; F51-M65 WeakPolarHBondContact CD2-O 3.19Å; F51-M65 WeakPolarHBondContact CE2-O 3.37Å; F51-I69 HydrophobicContact CD2-CD1 4.28Å; F51-I69 HydrophobicContact CE2-CD1 4.43Å
52	F	60.6	Low	64.6	Low	30 Å²	30	68.3 Å²	68.3	13%	0.132	37%	0.367	C	S	.	.	H	α-helix	trans	-73.2	-32	179.9	-60.8	-45.2	0	0	0	113.3	G35 L38 E39 L44 V47 G50 N54 M55	G35-F52 WeakPolarHBondContact O-CE1 3.48Å; L38-F52 HydrophobicContact CB-CZ 4.02Å; E39-F52 HydrophobicContact CB-CE1 4.19Å; L44-F52 HydrophobicContact CD2-CE2 4.35Å; L44-F52 HydrophobicContact CD2-CZ 4.33Å; L44-F52 HydrophobicContact CG-CE2 4.45Å; V47-F52 HydrophobicContact CG2-CE2 4.26Å; V47-F52 HydrophobicContact CG2-CZ 4.2Å; G50-F52 VanDerWaalsContact C-N 3.29Å; G50-F52 PolarHBondContact O-N 3.05Å; F52-N54 VanDerWaalsContact C-N 3.27Å; F52-N54 PolarHBondContact O-N 3.49Å; F52-M55 PolarHBondContact O-N 3.5Å
53	S	55.8	Low	62.5	Low	57 Å²	57	71.3 Å²	71.3	40%	0.399	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-33.4	176.8	-47.9	0	0	0	0	111.7	G50	G50-S53 WeakPolarHBondContact O-CB 3.48Å; G50-S53 PolarHBondContact O-N 2.79Å
54	N	49.5	Very low	60.5	Low	54 Å²	54	76.3 Å²	76.3	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-79.3	-21.8	-176.7	-69.2	-0.5	0	0	0	113.6	G50 F51 F52 K56	G50-N54 PolarHBondContact O-N 3.09Å; G50-N54 PolarHBondContact O-OD1 3.02Å; F51-N54 PolarHBondContact O-N 3.31Å; F52-N54 VanDerWaalsContact C-N 3.27Å; F52-N54 PolarHBondContact O-N 3.49Å; N54-K56 PolarHBondContact O-N 2.93Å
55	M	52	Low	58.4	Low	63 Å²	63	79.3 Å²	79.3	31%	0.31	43%	0.425	S	S	.	.	H	α-helix	trans	-74.6	-27.4	-174.4	-155	167.5	62.3	0	0	113.1	E39 F52	E39-M55 HydrophobicContact CG-CE 4.12Å; E39-M55 VanDerWaalsContact OE1-CE 3.25Å; E39-M55 WeakPolarHBondContact OE1-CE 3.29Å; E39-M55 WeakPolarHBondContact OE2-CE 3.37Å; F52-M55 PolarHBondContact O-N 3.5Å
56	K	52.9	Low	56.9	Low	182 Å²	182	80.4 Å²	80.4	79%	0.791	43%	0.432	S	S	*	.	H	α-helix	trans	-84.5	-23.8	-178.3	-77.5	-179.5	179.6	171.5	0	114.6	N54	N54-K56 PolarHBondContact O-N 2.93Å
57	E	52	Low	55.7	Low	128 Å²	128	81.4 Å²	81.4	60%	0.598	44%	0.441	S	S	*	.	H	α-helix	trans	-133.7	-9.2	-163.6	-93.3	173.2	172.2	0	0	118.8	Q139	E57-Q139 PolarHBondContact OE2-NE2 2.91Å
58	K	45.4	Very low	55.2	Low	138 Å²	138	82.7 Å²	82.7	60%	0.6	45%	0.454	S	S	*	.			trans	-136.6	93.9	-175.2	-83.7	-178.6	174.7	176.4	0	115.7	V60	K58-V60 PolarHBondContact O-N 2.95Å
59	L	47.3	Very low	56.1	Low	182 Å²	182	79.4 Å²	79.4	95%	0.953	44%	0.437	S	S	*	.			trans	-78.9	39.7	155.6	-168.4	70.8	0	0	0	111.4
60	V	42.9	Very low	57.5	Low	102 Å²	102	80.8 Å²	80.8	62%	0.618	44%	0.44	S	S	*	.	S	Bend	trans	-120.9	90.9	-179.9	-176.5	0	0	0	0	108.2	K58 T62	K58-V60 PolarHBondContact O-N 2.95Å; V60-T62 PolarHBondContact O-N 3.06Å
61	N	43.2	Very low	59.2	Low	169 Å²	169	80.1 Å²	80.1	90%	0.904	43%	0.432	S	S	*	.			trans	19.7	66.2	160.4	-74.2	6.8	0	0	0	116.4
62	T	47.9	Very low	61.2	Low	70 Å²	70	87.1 Å²	87.1	43%	0.429	46%	0.464	S	S	.	.			trans	-124.8	117	162.7	53.9	0	0	0	0	107.4	V60 D64	V60-T62 PolarHBondContact O-N 3.06Å; T62-D64 PolarHBondContact O-N 2.81Å
63	D	51.6	Low	62.9	Low	157 Å²	157	87.1 Å²	87.1	84%	0.84	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-10.2	172.4	-67.3	-50.6	0	0	0	112.2	M65	D63-M65 PolarHBondContact O-N 3.4Å; D63-M65 VanDerWaalsContact O-N 3.1Å
64	D	53.2	Low	64.9	Low	104 Å²	104	86.3 Å²	86.3	56%	0.556	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	16.2	178.1	-57.3	-40.1	0	0	0	115	T62 T66 A67	T62-D64 PolarHBondContact O-N 2.81Å; D64-T66 PolarHBondContact O-N 2.94Å; D64-A67 PolarHBondContact O-N 3.45Å
65	M	52.2	Low	67.1	Low	74 Å²	74	92.2 Å²	92.2	37%	0.365	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	2	177.4	-134.5	-170.8	136.2	0	0	113	F51 D63	F51-M65 WeakPolarHBondContact CD2-O 3.19Å; F51-M65 WeakPolarHBondContact CE2-O 3.37Å; D63-M65 PolarHBondContact O-N 3.4Å; D63-M65 VanDerWaalsContact O-N 3.1Å
66	T	59.6	Low	69.2	Low	28 Å²	28	97 Å²	97	17%	0.172	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	9.5	-178.2	61	0	0	0	0	113.2	K28 Q31 D64 G68 I69	K28-T66 HydrophobicContact CB-CG2 4.23Å; Q31-T66 HydrophobicContact CB-CG2 3.53Å; Q31-T66 HydrophobicContact CG-CG2 4.4Å; Q31-T66 VanDerWaalsContact OE1-CG2 3.22Å; Q31-T66 PolarHBondContact OE1-OG1 3.38Å; D64-T66 PolarHBondContact O-N 2.94Å; T66-G68 PolarHBondContact O-N 3.11Å; T66-G68 VanDerWaalsContact O-N 3.16Å; T66-I69 PolarHBondContact O-N 3.27Å; T66-I69 VanDerWaalsContact O-N 3.17Å
67	A	65.2	Low	71.3	Confident	32 Å²	32	92.4 Å²	92.4	26%	0.264	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.1	174.9	0	0	0	0	0	110.1	G49 D64	G49-A67 VanDerWaalsContact O-CB 3.31Å; G49-A67 WeakPolarHBondContact O-CB 3.38Å; D64-A67 PolarHBondContact O-N 3.45Å
68	G	79.2	Confident	73.6	Confident	27 Å²	27	86.4 Å²	86.4	28%	0.278	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.4	-21.4	-178.3	0	0	0	0	0	117	V47 D48 T66 M82	V47-G68 VanDerWaalsContact CG1-O 3.31Å; V47-G68 WeakPolarHBondContact CG1-O 3.4Å; D48-G68 WeakPolarHBondContact O-CA 3.35Å; D48-G68 PolarHBondContact O-N 3.41Å; T66-G68 PolarHBondContact O-N 3.11Å; T66-G68 VanDerWaalsContact O-N 3.16Å; G68-M82 WeakPolarHBondContact O-CA 3.21Å; G68-M82 WeakPolarHBondContact O-CB 3.33Å
69	I	90.7	Very high	76.1	Confident	6 Å²	6	80.5 Å²	80.5	3%	0.031	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.2	-179.2	-53.9	164.1	0	0	0	107.1	Q31 I34 V47 F51 T66 T71 V80 M82	Q31-I69 HydrophobicContact CB-CB 4.47Å; Q31-I69 HydrophobicContact CB-CG2 4.42Å; Q31-I69 VanDerWaalsContact CD-O 3.24Å; Q31-I69 HydrophobicContact CG-CB 4.34Å; Q31-I69 HydrophobicContact CG-CG2 4.13Å; Q31-I69 WeakPolarHBondContact CG-O 3.39Å; Q31-I69 PolarHBondContact NE2-O 2.97Å; Q31-I69 VanDerWaalsContact NE2-O 3.12Å; I34-I69 HydrophobicContact CB-CD1 4.32Å; I34-I69 HydrophobicContact CB-CG2 4.42Å; I34-I69 HydrophobicContact CD1-CG2 4.21Å; I34-I69 HydrophobicContact CG2-CD1 3.8Å; I34-I69 HydrophobicContact CG2-CG1 4.42Å; I34-I69 HydrophobicContact CG2-CG2 4.01Å; V47-I69 HydrophobicContact CG1-CG1 3.8Å; F51-I69 HydrophobicContact CD2-CD1 4.28Å; F51-I69 HydrophobicContact CE2-CD1 4.43Å; T66-I69 PolarHBondContact O-N 3.27Å; T66-I69 VanDerWaalsContact O-N 3.17Å; I69-T71 HydrophobicContact CG2-CG2 4.08Å; I69-V80 HydrophobicContact CG2-CG1 4.04Å; I69-M82 HydrophobicContact CG2-CE 4.44Å
70	S	91.9	Very high	78.5	Confident	67 Å²	67	71.9 Å²	71.9	47%	0.469	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.8	167.6	-176.3	0	0	0	0	109	V80 D81	S70-V80 WeakPolarHBondContact O-CA 3.4Å; S70-D81 PolarHBondContact N-O 2.93Å; S70-D81 PolarHBondContact O-N 3.23Å
71	T	94.9	Very high	81	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.043	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.5	177.7	55.7	0	0	0	0	109.6	D27 I30 Q31 I34 I69 A79 V80	D27-T71 WeakPolarHBondContact CB-OG1 3.36Å; I30-T71 HydrophobicContact CG2-CG2 4.15Å; Q31-T71 HydrophobicContact CG-CG2 3.68Å; Q31-T71 WeakPolarHBondContact CG-OG1 3.37Å; Q31-T71 PolarHBondContact NE2-OG1 3.29Å; I34-T71 HydrophobicContact CD1-CG2 3.86Å; I69-T71 HydrophobicContact CG2-CG2 4.08Å; T71-A79 CarbonylContact C-O 3.55Å; T71-A79 VanDerWaalsContact CA-O 3.24Å; T71-A79 WeakPolarHBondContact CA-O 3.47Å; T71-V80 HydrophobicContact CG2-CG1 4.37Å; T71-V80 HydrophobicContact CG2-CG2 4.32Å
72	E	96.7	Very high	83.4	Confident	152 Å²	152	62.7 Å²	62.7	71%	0.71	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.8	165.8	-173.3	176	170.3	0	0	108.4	V78 A79	E72-V78 WeakPolarHBondContact O-CA 3.32Å; E72-A79 HydrophobicContact CB-CB 4.39Å; E72-A79 PolarHBondContact N-O 2.87Å; E72-A79 PolarHBondContact O-N 3.48Å
73	V	97.3	Very high	85.5	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.4	-174.9	-176.4	0	0	0	0	111	D27 I30 V78 L113	D27-V73 WeakPolarHBondContact OD1-CB 3.22Å; D27-V73 WeakPolarHBondContact OD1-CG2 3.4Å; D27-V73 PolarHBondContact OD1-N 3.2Å; I30-V73 HydrophobicContact CB-CG2 3.98Å; I30-V73 HydrophobicContact CG1-CG1 4.15Å; I30-V73 HydrophobicContact CG1-CG2 3.52Å; I30-V73 HydrophobicContact CG2-CG2 4.41Å; V73-V78 HydrophobicContact CG1-CG2 4.25Å; V73-V78 HydrophobicContact CG2-CG2 4.27Å; V73-L113 HydrophobicContact CG1-CD1 3.87Å
74	G	96.6	Very high	87.5	Confident	41 Å²	41	54.9 Å²	54.9	42%	0.423	30%	0.298	S	S	.	.			trans	-89.1	-175.6	169.9	0	0	0	0	0	112.9	K76 Q77	G74-K76 PolarHBondContact O-N 3.45Å; G74-Q77 WeakPolarHBondContact CA-O 3.15Å; G74-Q77 PolarHBondContact N-O 3.01Å
75	K	95.3	Very high	89.4	Confident	177 Å²	177	50.4 Å²	50.4	77%	0.77	28%	0.275	S	S	*	.	S	Bend	trans	-68.9	-20.2	177.2	-67.5	-170	176.6	-168.8	0	114.4
76	K	97	Very high	91.5	Very high	163 Å²	163	47 Å²	47	71%	0.709	26%	0.258	S	S	*	.	S	Bend	trans	-138.4	-17.4	-175.5	-68.3	-170.7	175.9	-174.3	0	113.6	G74 L113 E114	G74-K76 PolarHBondContact O-N 3.45Å; K76-L113 WeakPolarHBondContact O-CA 3.4Å; K76-E114 PolarHBondContact O-N 2.85Å
77	Q	98.1	Very high	93.2	Very high	87 Å²	87	47.5 Å²	47.5	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.3	-166.3	-71.6	178.3	-22.9	0	0	110	G74 E114 I116	G74-Q77 WeakPolarHBondContact CA-O 3.15Å; G74-Q77 PolarHBondContact N-O 3.01Å; Q77-E114 CarbonylContact C-O 3.49Å; Q77-E114 WeakPolarHBondContact CA-O 3.36Å; Q77-E114 HydrophobicContact CG-CB 4.29Å; Q77-E114 PolarHBondContact NE2-OE2 3.5Å; Q77-E114 VanDerWaalsContact NE2-OE2 3.09Å; Q77-I116 HydrophobicContact CB-CD1 4.23Å; Q77-I116 HydrophobicContact CB-CG1 4.38Å; Q77-I116 HydrophobicContact CB-CG2 4.07Å; Q77-I116 HydrophobicContact CG-CG2 3.73Å
78	V	98.4	Very high	94.7	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.4	177.6	176.1	0	0	0	0	108.9	I30 E72 V73 V80 V107 L113 E114 V115 I116	I30-V78 HydrophobicContact CG2-CG1 3.88Å; I30-V78 HydrophobicContact CG2-CG2 4.34Å; E72-V78 WeakPolarHBondContact O-CA 3.32Å; V73-V78 HydrophobicContact CG1-CG2 4.25Å; V73-V78 HydrophobicContact CG2-CG2 4.27Å; V78-V80 HydrophobicContact CG1-CG2 3.82Å; V78-V107 HydrophobicContact CG2-CG1 4.33Å; V78-L113 HydrophobicContact CG2-CB 3.92Å; V78-L113 HydrophobicContact CG2-CD1 3.63Å; V78-L113 HydrophobicContact CG2-CG 4.41Å; V78-E114 PolarHBondContact N-O 2.81Å; V78-V115 HydrophobicContact CB-CG2 4.42Å; V78-V115 WeakPolarHBondContact O-CA 3.24Å; V78-I116 WeakPolarHBondContact O-CG1 3.31Å; V78-I116 PolarHBondContact O-N 3.4Å
79	A	98.4	Very high	95.6	Very high	15 Å²	15	56.2 Å²	56.2	12%	0.124	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.8	161	0	0	0	0	0	109.4	T71 E72 E117	T71-A79 CarbonylContact C-O 3.55Å; T71-A79 VanDerWaalsContact CA-O 3.24Å; T71-A79 WeakPolarHBondContact CA-O 3.47Å; E72-A79 HydrophobicContact CB-CB 4.39Å; E72-A79 PolarHBondContact N-O 2.87Å; E72-A79 PolarHBondContact O-N 3.48Å; A79-E117 HydrophobicContact CB-CB 4.23Å
80	V	97.3	Very high	96	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.9	-176.5	-172.2	0	0	0	0	109.6	I34 I69 S70 T71 V78 M82 I103 V115 E117 V118 N119	I34-V80 HydrophobicContact CD1-CB 4.43Å; I34-V80 HydrophobicContact CD1-CG1 3.83Å; I34-V80 HydrophobicContact CD1-CG2 3.64Å; I69-V80 HydrophobicContact CG2-CG1 4.04Å; S70-V80 WeakPolarHBondContact O-CA 3.4Å; T71-V80 HydrophobicContact CG2-CG1 4.37Å; T71-V80 HydrophobicContact CG2-CG2 4.32Å; V78-V80 HydrophobicContact CG1-CG2 3.82Å; V80-M82 HydrophobicContact CG1-CE 3.27Å; V80-I103 HydrophobicContact CG2-CG2 4.31Å; V80-V115 HydrophobicContact CG2-CG1 4.19Å; V80-E117 PolarHBondContact N-O 3.44Å; V80-V118 HydrophobicContact CB-CG1 4.43Å; V80-V118 HydrophobicContact CB-CG2 4.36Å; V80-V118 CarbonylContact O-C 3.58Å; V80-V118 WeakPolarHBondContact O-CA 3.38Å; V80-N119 PolarHBondContact O-N 3.19Å
81	D	95.5	Very high	96.3	Very high	70 Å²	70	60.6 Å²	60.6	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.1	171.1	-57.8	-87.9	0	0	0	109.3	S70 N119	S70-D81 PolarHBondContact N-O 2.93Å; S70-D81 PolarHBondContact O-N 3.23Å; D81-N119 CarbonylContact C-O 3.58Å; D81-N119 WeakPolarHBondContact CA-O 3.48Å; D81-N119 VanDerWaalsContact OD1-CB 3.25Å; D81-N119 WeakPolarHBondContact OD1-CB 2.77Å; D81-N119 PolarHBondContact OD1-ND2 3Å
82	M	93.8	Very high	96.4	Very high	9 Å²	9	62.9 Å²	62.9	4%	0.044	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	149.4	178.5	62.5	-174.4	74.3	0	0	113.7	I34 L38 V47 G68 I69 V80 I84 M99 I103 V118 N119 V120 N121	I34-M82 HydrophobicContact CG2-CE 3.95Å; L38-M82 HydrophobicContact CD1-CE 4.19Å; L38-M82 HydrophobicContact CD1-SD 3.86Å; V47-M82 HydrophobicContact CG1-CB 4.04Å; G68-M82 WeakPolarHBondContact O-CA 3.21Å; G68-M82 WeakPolarHBondContact O-CB 3.33Å; I69-M82 HydrophobicContact CG2-CE 4.44Å; V80-M82 HydrophobicContact CG1-CE 3.27Å; M82-I84 HydrophobicContact CG-CG2 4.25Å; M82-I84 HydrophobicContact SD-CG2 4.34Å; M82-M99 HydrophobicContact CG-CE 4.37Å; M82-M99 HydrophobicContact SD-CE 3.3Å; M82-M99 WeakPolarHBondContact SD-CE 3.35Å; M82-I103 HydrophobicContact CE-CD1 3.5Å; M82-I103 HydrophobicContact SD-CD1 4.31Å; M82-V118 HydrophobicContact CE-CG1 4.42Å; M82-N119 PolarHBondContact N-O 2.85Å; M82-V120 HydrophobicContact CG-CB 4.4Å; M82-V120 HydrophobicContact CG-CG1 4.43Å; M82-V120 HydrophobicContact CG-CG2 3.76Å; M82-V120 CarbonylContact O-C 3.58Å; M82-V120 WeakPolarHBondContact O-CA 3.42Å; M82-V120 HydrophobicContact SD-CG2 4.1Å; M82-N121 PolarHBondContact O-N 2.91Å
83	D	92.3	Very high	96.5	Very high	60 Å²	60	62.8 Å²	62.8	32%	0.321	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.6	171.1	-76.2	-33.7	0	0	0	108.9	V47 D48 N121 V123	V47-D83 CarbonylContact C-O 3.55Å; V47-D83 WeakPolarHBondContact CA-O 3.37Å; V47-D83 VanDerWaalsContact CG1-O 3.24Å; V47-D83 WeakPolarHBondContact CG1-O 3.04Å; D48-D83 HydrophobicContact CB-CB 3.59Å; D48-D83 PolarHBondContact N-O 3.49Å; D83-N121 CarbonylContact C-O 3.49Å; D83-N121 VanDerWaalsContact CA-O 3.29Å; D83-N121 WeakPolarHBondContact CA-O 3.31Å; D83-N121 VanDerWaalsContact OD1-CB 3.25Å; D83-N121 WeakPolarHBondContact OD1-CB 3.29Å; D83-N121 PolarHBondContact OD1-ND2 3.17Å; D83-V123 HydrophobicContact CB-CG1 3.66Å; D83-V123 HydrophobicContact CB-CG2 4.49Å
84	I	93.7	Very high	96.5	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.9	-177.6	67.2	168	0	0	0	113.9	L44 T46 V47 M82 V86 M99 V120 N121 V122 V123	L44-I84 HydrophobicContact CD1-CB 3.74Å; L44-I84 HydrophobicContact CD1-CD1 4.03Å; L44-I84 HydrophobicContact CD1-CG1 4.46Å; L44-I84 HydrophobicContact CD1-CG2 3.85Å; T46-I84 CarbonylContact O-C 3.59Å; T46-I84 WeakPolarHBondContact O-CA 3.42Å; V47-I84 HydrophobicContact CG1-CG2 4.43Å; V47-I84 HydrophobicContact CG2-CG2 4.24Å; M82-I84 HydrophobicContact CG-CG2 4.25Å; M82-I84 HydrophobicContact SD-CG2 4.34Å; I84-V86 HydrophobicContact CD1-CG2 3.58Å; I84-V86 HydrophobicContact CG1-CG2 4.08Å; I84-M99 HydrophobicContact CD1-CE 4.17Å; I84-M99 HydrophobicContact CD1-SD 3.78Å; I84-M99 HydrophobicContact CG2-CE 3.73Å; I84-V120 HydrophobicContact CB-CG1 4.44Å; I84-V120 HydrophobicContact CD1-CG1 3.39Å; I84-V120 HydrophobicContact CG1-CG1 3.57Å; I84-V120 HydrophobicContact CG2-CG1 4.07Å; I84-N121 PolarHBondContact N-O 3.43Å; I84-V122 HydrophobicContact CD1-CG2 4.11Å; I84-V122 HydrophobicContact CG1-CB 4.48Å; I84-V122 HydrophobicContact CG1-CG2 3.96Å; I84-V122 CarbonylContact O-C 3.59Å; I84-V122 WeakPolarHBondContact O-CA 3.36Å; I84-V123 VanDerWaalsContact O-CG2 3.31Å; I84-V123 WeakPolarHBondContact O-CG2 3.47Å; I84-V123 PolarHBondContact O-N 3.45Å
85	V	92.8	Very high	96.6	Very high	10 Å²	10	65.3 Å²	65.3	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.1	167.5	-177.6	0	0	0	0	108.6	L45 T46 V123 D124 K126	L45-V85 HydrophobicContact CB-CB 4.38Å; L45-V85 HydrophobicContact CB-CG1 4.21Å; L45-V85 WeakPolarHBondContact CB-O 3.42Å; L45-V85 HydrophobicContact CD1-CG1 4Å; L45-V85 PolarHBondContact N-O 3.04Å; T46-V85 HydrophobicContact CG2-CB 3.87Å; T46-V85 HydrophobicContact CG2-CG2 3.75Å; T46-V85 PolarHBondContact N-O 3.32Å; T46-V85 PolarHBondContact O-N 3.44Å; V85-V123 HydrophobicContact CG2-CG2 3.94Å; V85-D124 WeakPolarHBondContact CA-O 3.46Å; V85-D124 HydrophobicContact CG1-CB 4.11Å; V85-D124 HydrophobicContact CG2-CB 4.09Å; V85-K126 HydrophobicContact CG1-CB 4.41Å; V85-K126 HydrophobicContact CG1-CD 4.34Å; V85-K126 HydrophobicContact CG1-CG 4.14Å
86	V	95.9	Very high	96.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.9	-177.2	-178.5	0	0	0	0	110.4	G43 I84 K90 V92 V95 V122 D124 I125 K126	G43-V86 CarbonylContact O-C 3.49Å; G43-V86 WeakPolarHBondContact O-CA 3.35Å; G43-V86 WeakPolarHBondContact O-CG1 3.24Å; I84-V86 HydrophobicContact CD1-CG2 3.58Å; I84-V86 HydrophobicContact CG1-CG2 4.08Å; V86-K90 HydrophobicContact CG1-CB 4.36Å; V86-V92 HydrophobicContact CG1-CG2 4.18Å; V86-V95 HydrophobicContact CG1-CG2 4.39Å; V86-V122 HydrophobicContact CB-CG1 4.47Å; V86-V122 HydrophobicContact CG2-CG1 4.03Å; V86-V122 HydrophobicContact CG2-CG2 4.23Å; V86-D124 PolarHBondContact N-O 2.89Å; V86-D124 VanDerWaalsContact N-O 3.13Å; V86-I125 VanDerWaalsContact O-CA 3.29Å; V86-I125 WeakPolarHBondContact O-CA 3.49Å; V86-K126 PolarHBondContact O-N 3.19Å; V86-K126 VanDerWaalsContact O-N 3.08Å
87	E	96.4	Very high	96.7	Very high	40 Å²	40	57.2 Å²	57.2	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.8	177.8	-172.6	-177.2	148.7	0	0	111.2	G43 L45 G89 K90 K126 R128	G43-E87 PolarHBondContact O-N 3.16Å; L45-E87 HydrophobicContact CD1-CB 4.2Å; L45-E87 HydrophobicContact CD2-CB 3.87Å; L45-E87 HydrophobicContact CD2-CG 4.18Å; L45-E87 HydrophobicContact CG-CB 3.87Å; E87-G89 PolarHBondContact O-N 2.95Å; E87-K90 HydrophobicContact CB-CG 3.82Å; E87-K90 HydrophobicContact CG-CG 4.27Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 WeakPolarHBondContact O-CG 3.47Å; E87-K90 PolarHBondContact O-N 3.48Å; E87-K126 CarbonylContact C-O 3.5Å; E87-K126 VanDerWaalsContact CA-O 3.31Å; E87-K126 WeakPolarHBondContact CA-O 3.25Å; E87-R128 IonicContact OE2-CZ 2.73Å; E87-R128 IonicContact OE2-NE 2.78Å; E87-R128 IonicContact OE2-NH2 2.62Å; E87-R128 PolarHBondContact OE2-NH2 3.06Å
88	Y	97.7	Very high	96.7	Very high	168 Å²	168	56.4 Å²	56.4	66%	0.659	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	132.8	178.1	-179.2	-93.8	0	0	0	111.6	K90 I125 K126	Y88-K90 VanDerWaalsContact C-N 3.34Å; Y88-I125 HydrophobicContact CD2-CG2 4.13Å; Y88-K126 PolarHBondContact N-O 2.81Å
89	G	97.8	Very high	96.7	Very high	73 Å²	73	56.3 Å²	56.3	75%	0.753	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	0.4	180	0	0	0	0	0	114.9	E87	E87-G89 PolarHBondContact O-N 2.95Å
90	K	97.8	Very high	96.6	Very high	66 Å²	66	57 Å²	57	29%	0.287	29%	0.294	S	S	.	.	S	Bend	trans	-87.9	156.1	171.3	-59.5	-69	-167.4	163.9	0	111.7	D42 V86 E87 Y88 V92	D42-K90 IonicContact OD1-NZ 3.5Å; D42-K90 PolarHBondContact OD1-NZ 3.27Å; D42-K90 IonicContact OD2-NZ 2.73Å; D42-K90 PolarHBondContact OD2-NZ 2.77Å; V86-K90 HydrophobicContact CG1-CB 4.36Å; E87-K90 HydrophobicContact CB-CG 3.82Å; E87-K90 HydrophobicContact CG-CG 4.27Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 WeakPolarHBondContact O-CG 3.47Å; E87-K90 PolarHBondContact O-N 3.48Å; Y88-K90 VanDerWaalsContact C-N 3.34Å; K90-V92 PolarHBondContact O-N 3.33Å
91	D	98.1	Very high	96.6	Very high	100 Å²	100	63.7 Å²	63.7	54%	0.535	33%	0.325	S	S	.	.			trans	-82.5	108.8	175.3	-176.3	-23.9	0	0	0	109.7	E93 K94 V95	D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 2.89Å; D91-E93 PolarHBondContact OD1-N 3.49Å; D91-K94 HydrophobicContact CB-CB 3.87Å; D91-K94 PolarHBondContact O-N 3.38Å; D91-K94 PolarHBondContact OD1-N 3.03Å; D91-V95 WeakPolarHBondContact O-CG2 3.25Å; D91-V95 PolarHBondContact O-N 2.73Å
92	V	97.6	Very high	96.7	Very high	55 Å²	55	62.7 Å²	62.7	33%	0.333	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-38.6	-176	178.6	0	0	0	0	111.9	V86 K90 K94 V95 F96 V122	V86-V92 HydrophobicContact CG1-CG2 4.18Å; K90-V92 PolarHBondContact O-N 3.33Å; V92-K94 VanDerWaalsContact C-N 3.34Å; V92-V95 PolarHBondContact O-N 3.38Å; V92-F96 WeakPolarHBondContact O-CB 3.29Å; V92-F96 PolarHBondContact O-N 3.37Å; V92-V122 HydrophobicContact CG1-CG2 3.8Å
93	E	98.2	Very high	96.9	Very high	149 Å²	149	62.2 Å²	62.2	70%	0.696	32%	0.317	S	S	*	.	H	α-helix	trans	-66	-42.1	178.9	-68.4	-177	-159	0	0	110.1	D91 V95 F96 D97	D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 2.89Å; D91-E93 PolarHBondContact OD1-N 3.49Å; E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 PolarHBondContact O-N 3.01Å; E93-F96 WeakPolarHBondContact O-CB 3.47Å; E93-F96 PolarHBondContact O-N 2.78Å; E93-D97 PolarHBondContact O-N 3.13Å
94	K	98	Very high	97.2	Very high	121 Å²	121	61.2 Å²	61.2	53%	0.526	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-39.5	175.5	-172.7	179.6	178.8	-175.5	0	112.8	D91 V92 Q98	D91-K94 HydrophobicContact CB-CB 3.87Å; D91-K94 PolarHBondContact O-N 3.38Å; D91-K94 PolarHBondContact OD1-N 3.03Å; V92-K94 VanDerWaalsContact C-N 3.34Å; K94-Q98 VanDerWaalsContact O-CG 3.29Å; K94-Q98 WeakPolarHBondContact O-CG 3.3Å; K94-Q98 PolarHBondContact O-N 3.06Å; K94-Q98 VanDerWaalsContact O-N 3.07Å
95	V	97.7	Very high	97.4	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-46.9	174.9	173.4	0	0	0	0	109.6	I41 L44 V86 D91 V92 E93 D97 Q98 M99	I41-V95 HydrophobicContact CG2-CG1 4.07Å; L44-V95 HydrophobicContact CB-CG1 4.27Å; V86-V95 HydrophobicContact CG1-CG2 4.39Å; D91-V95 WeakPolarHBondContact O-CG2 3.25Å; D91-V95 PolarHBondContact O-N 2.73Å; V92-V95 PolarHBondContact O-N 3.38Å; E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 PolarHBondContact O-N 3.01Å; V95-D97 PolarHBondContact O-N 3.28Å; V95-Q98 PolarHBondContact O-N 2.87Å; V95-M99 HydrophobicContact CG1-CG 4.35Å; V95-M99 HydrophobicContact CG1-SD 3.89Å; V95-M99 WeakPolarHBondContact O-CG 3.48Å; V95-M99 PolarHBondContact O-N 2.95Å
96	F	97.9	Very high	97.6	Very high	74 Å²	74	68 Å²	68	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-45.6	176.8	175	-103.2	0	0	0	112.8	V92 E93 Q98 M99 T100 V120	V92-F96 WeakPolarHBondContact O-CB 3.29Å; V92-F96 PolarHBondContact O-N 3.37Å; E93-F96 WeakPolarHBondContact O-CB 3.47Å; E93-F96 PolarHBondContact O-N 2.78Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 3.05Å; F96-M99 WeakPolarHBondContact O-CB 3.46Å; F96-M99 PolarHBondContact O-N 3.31Å; F96-T100 HydrophobicContact CD1-CG2 4.33Å; F96-T100 HydrophobicContact CD2-CG2 4.05Å; F96-T100 HydrophobicContact CE1-CG2 3.9Å; F96-T100 HydrophobicContact CE2-CG2 3.58Å; F96-T100 HydrophobicContact CG-CG2 4.41Å; F96-T100 HydrophobicContact CZ-CG2 3.5Å; F96-T100 WeakPolarHBondContact O-CG2 3.38Å; F96-T100 PolarHBondContact O-N 3.13Å; F96-T100 PolarHBondContact O-OG1 3.06Å; F96-T100 VanDerWaalsContact O-OG1 3.05Å; F96-V120 HydrophobicContact CD2-CB 3.71Å; F96-V120 HydrophobicContact CD2-CG1 4.39Å; F96-V120 HydrophobicContact CD2-CG2 3.63Å; F96-V120 HydrophobicContact CE2-CB 3.83Å; F96-V120 HydrophobicContact CE2-CG2 3.61Å
97	D	98	Very high	97.7	Very high	96 Å²	96	68 Å²	68	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-43.6	177.1	-73.4	-14.3	0	0	0	111.4	E93 V95 M99 T100 E101	E93-D97 PolarHBondContact O-N 3.13Å; V95-D97 PolarHBondContact O-N 3.28Å; D97-M99 PolarHBondContact O-N 2.95Å; D97-T100 PolarHBondContact O-N 3.29Å; D97-T100 PolarHBondContact O-OG1 2.9Å; D97-E101 WeakPolarHBondContact O-CB 3.47Å; D97-E101 PolarHBondContact O-N 3.2Å
98	Q	97.7	Very high	97.8	Very high	69 Å²	69	71.7 Å²	71.7	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-40.8	176.1	-73.2	179.6	-12.9	0	0	112.2	I41 K94 V95 F96 L102	I41-Q98 HydrophobicContact CG2-CB 4.32Å; K94-Q98 VanDerWaalsContact O-CG 3.29Å; K94-Q98 WeakPolarHBondContact O-CG 3.3Å; K94-Q98 PolarHBondContact O-N 3.06Å; K94-Q98 VanDerWaalsContact O-N 3.07Å; V95-Q98 PolarHBondContact O-N 2.87Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 3.05Å; Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 PolarHBondContact O-N 3.12Å; Q98-L102 VanDerWaalsContact O-N 3.1Å
99	M	97.3	Very high	97.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-52.1	176.6	-69.6	171	64.9	0	0	111.2	L38 I41 L44 M82 I84 V95 F96 D97 E101 L102 I103 V120	L38-M99 HydrophobicContact CD1-CE 4.34Å; L38-M99 HydrophobicContact CD2-CB 3.98Å; L38-M99 HydrophobicContact CD2-CE 4.35Å; L38-M99 HydrophobicContact CD2-CG 3.85Å; I41-M99 HydrophobicContact CD1-CB 4.02Å; I41-M99 HydrophobicContact CD1-CG 3.45Å; I41-M99 VanDerWaalsContact CD1-CG 3.45Å; I41-M99 HydrophobicContact CG2-CG 4.34Å; L44-M99 HydrophobicContact CD1-SD 4.3Å; L44-M99 HydrophobicContact CD2-CE 4.44Å; L44-M99 HydrophobicContact CD2-CG 4.47Å; L44-M99 HydrophobicContact CD2-SD 4.33Å; M82-M99 HydrophobicContact CG-CE 4.37Å; M82-M99 HydrophobicContact SD-CE 3.3Å; M82-M99 WeakPolarHBondContact SD-CE 3.35Å; I84-M99 HydrophobicContact CD1-CE 4.17Å; I84-M99 HydrophobicContact CD1-SD 3.78Å; I84-M99 HydrophobicContact CG2-CE 3.73Å; V95-M99 HydrophobicContact CG1-CG 4.35Å; V95-M99 HydrophobicContact CG1-SD 3.89Å; V95-M99 WeakPolarHBondContact O-CG 3.48Å; V95-M99 PolarHBondContact O-N 2.95Å; F96-M99 WeakPolarHBondContact O-CB 3.46Å; F96-M99 PolarHBondContact O-N 3.31Å; D97-M99 PolarHBondContact O-N 2.95Å; M99-E101 PolarHBondContact O-N 3.44Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-I103 HydrophobicContact CB-CD1 4.42Å; M99-I103 WeakPolarHBondContact O-CB 3.37Å; M99-I103 WeakPolarHBondContact O-CD1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.41Å; M99-I103 PolarHBondContact O-N 2.89Å; M99-V120 HydrophobicContact CE-CG1 4.15Å; M99-V120 HydrophobicContact CE-CG2 3.97Å
100	T	97.6	Very high	97.8	Very high	30 Å²	30	71.9 Å²	71.9	18%	0.184	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-42	-176.3	52.3	0	0	0	0	112.5	F96 D97 S104 V118	F96-T100 HydrophobicContact CD1-CG2 4.33Å; F96-T100 HydrophobicContact CD2-CG2 4.05Å; F96-T100 HydrophobicContact CE1-CG2 3.9Å; F96-T100 HydrophobicContact CE2-CG2 3.58Å; F96-T100 HydrophobicContact CG-CG2 4.41Å; F96-T100 HydrophobicContact CZ-CG2 3.5Å; F96-T100 WeakPolarHBondContact O-CG2 3.38Å; F96-T100 PolarHBondContact O-N 3.13Å; F96-T100 PolarHBondContact O-OG1 3.06Å; F96-T100 VanDerWaalsContact O-OG1 3.05Å; D97-T100 PolarHBondContact O-N 3.29Å; D97-T100 PolarHBondContact O-OG1 2.9Å; T100-S104 WeakPolarHBondContact O-CB 3.38Å; T100-S104 PolarHBondContact O-N 2.9Å; T100-S104 VanDerWaalsContact O-N 3.09Å; T100-S104 PolarHBondContact O-OG 2.89Å; T100-V118 HydrophobicContact CG2-CB 3.89Å; T100-V118 HydrophobicContact CG2-CG1 3.92Å; T100-V118 HydrophobicContact CG2-CG2 4.41Å
101	E	97.7	Very high	97.8	Very high	139 Å²	139	69.1 Å²	69.1	65%	0.65	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-47.9	174.6	-175.8	-176.6	174.7	0	0	110.8	D97 M99 K105	D97-E101 WeakPolarHBondContact O-CB 3.47Å; D97-E101 PolarHBondContact O-N 3.2Å; M99-E101 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact O-CB 3.23Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 PolarHBondContact O-N 2.83Å
102	L	97.1	Very high	97.8	Very high	49 Å²	49	72 Å²	72	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-70.8	-41.4	-174.5	-171	58	0	0	0	112.4	A37 I41 Q98 M99 K105 E106	A37-L102 HydrophobicContact CB-CD2 4.48Å; A37-L102 HydrophobicContact CB-CG 4.17Å; A37-L102 WeakPolarHBondContact O-CD2 3.36Å; I41-L102 HydrophobicContact CD1-CD2 4.08Å; I41-L102 HydrophobicContact CG1-CD2 4.07Å; Q98-L102 WeakPolarHBondContact O-CB 3.38Å; Q98-L102 PolarHBondContact O-N 3.12Å; Q98-L102 VanDerWaalsContact O-N 3.1Å; M99-L102 PolarHBondContact O-N 3.31Å; L102-K105 PolarHBondContact O-N 2.91Å; L102-E106 HydrophobicContact CD1-CG 4.23Å; L102-E106 PolarHBondContact O-N 2.93Å
103	I	97.5	Very high	97.8	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.9	-54.8	173.9	-73.4	165.5	0	0	0	110.2	I34 L38 V80 M82 M99 K105 E106 V107 V115 V118	I34-I103 HydrophobicContact CD1-CG2 4.3Å; I34-I103 HydrophobicContact CG1-CG2 4.1Å; I34-I103 HydrophobicContact CG2-CD1 4.22Å; I34-I103 HydrophobicContact CG2-CG1 4.03Å; L38-I103 HydrophobicContact CD1-CD1 4.38Å; L38-I103 HydrophobicContact CD2-CD1 4.06Å; L38-I103 HydrophobicContact CD2-CG1 3.99Å; L38-I103 HydrophobicContact CG-CG1 4.44Å; V80-I103 HydrophobicContact CG2-CG2 4.31Å; M82-I103 HydrophobicContact CE-CD1 3.5Å; M82-I103 HydrophobicContact SD-CD1 4.31Å; M99-I103 HydrophobicContact CB-CD1 4.42Å; M99-I103 WeakPolarHBondContact O-CB 3.37Å; M99-I103 WeakPolarHBondContact O-CD1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.41Å; M99-I103 PolarHBondContact O-N 2.89Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.73Å; I103-E106 PolarHBondContact O-N 3.41Å; I103-V107 HydrophobicContact CG2-CG2 4.5Å; I103-V107 WeakPolarHBondContact O-CB 3.28Å; I103-V107 WeakPolarHBondContact O-CG2 3.35Å; I103-V107 PolarHBondContact O-N 2.84Å; I103-V115 HydrophobicContact CG2-CG1 4.25Å; I103-V115 HydrophobicContact CG2-CG2 4.27Å; I103-V118 HydrophobicContact CD1-CG1 3.98Å; I103-V118 HydrophobicContact CG2-CG2 4.23Å
104	S	98	Very high	97.8	Very high	39 Å²	39	68 Å²	68	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-46.5	-176.9	-56.3	0	0	0	0	110.6	T100 E108	T100-S104 WeakPolarHBondContact O-CB 3.38Å; T100-S104 PolarHBondContact O-N 2.9Å; T100-S104 VanDerWaalsContact O-N 3.09Å; T100-S104 PolarHBondContact O-OG 2.89Å; S104-E108 VanDerWaalsContact O-CB 3.23Å; S104-E108 WeakPolarHBondContact O-CB 3.25Å; S104-E108 PolarHBondContact O-N 3.08Å
105	K	98.3	Very high	97.9	Very high	117 Å²	117	63.1 Å²	63.1	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-49.8	180	179.4	-180	176.3	-178.6	0	112.9	E101 L102 I103 K109	E101-K105 VanDerWaalsContact O-CB 3.23Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 PolarHBondContact O-N 2.83Å; L102-K105 PolarHBondContact O-N 2.91Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.73Å; K105-K109 WeakPolarHBondContact O-CB 2.96Å; K105-K109 PolarHBondContact O-N 3.34Å
106	E	97.8	Very high	97.9	Very high	38 Å²	38	67.3 Å²	67.3	18%	0.178	33%	0.325	C	S	.	.	H	α-helix	trans	-76.2	-35.8	-174.3	-71	-56.9	143.1	0	0	112.6	I33 A37 L102 I103 K109 M110	I33-E106 HydrophobicContact CG2-CB 4.19Å; A37-E106 HydrophobicContact CB-CB 4.22Å; A37-E106 HydrophobicContact CB-CG 4.17Å; L102-E106 HydrophobicContact CD1-CG 4.23Å; L102-E106 PolarHBondContact O-N 2.93Å; I103-E106 PolarHBondContact O-N 3.41Å; E106-K109 VanDerWaalsContact CD-NZ 3.31Å; E106-K109 IonicContact OE1-NZ 2.97Å; E106-K109 PolarHBondContact OE1-NZ 2.77Å; E106-K109 IonicContact OE2-NZ 2.76Å; E106-K109 PolarHBondContact OE2-NZ 3.17Å; E106-M110 WeakPolarHBondContact O-CB 3.17Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.16Å
107	V	98.1	Very high	97.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-50.4	173.5	173	0	0	0	0	110.5	I30 I33 I34 V78 I103 K109 M110 T111 L113 V115	I30-V107 HydrophobicContact CG2-CG1 4.44Å; I30-V107 HydrophobicContact CG2-CG2 4.16Å; I33-V107 HydrophobicContact CG2-CG2 4.21Å; I34-V107 HydrophobicContact CD1-CG2 4.38Å; I34-V107 HydrophobicContact CG1-CG2 3.91Å; V78-V107 HydrophobicContact CG2-CG1 4.33Å; I103-V107 HydrophobicContact CG2-CG2 4.5Å; I103-V107 WeakPolarHBondContact O-CB 3.28Å; I103-V107 WeakPolarHBondContact O-CG2 3.35Å; I103-V107 PolarHBondContact O-N 2.84Å; V107-K109 PolarHBondContact O-N 2.83Å; V107-M110 PolarHBondContact O-N 3.4Å; V107-T111 WeakPolarHBondContact O-CB 3.36Å; V107-T111 PolarHBondContact O-N 2.76Å; V107-T111 PolarHBondContact O-OG1 2.81Å; V107-L113 HydrophobicContact CG1-CB 4.3Å; V107-V115 HydrophobicContact CB-CG2 3.73Å; V107-V115 HydrophobicContact CG1-CG2 3.76Å; V107-V115 HydrophobicContact CG2-CG2 4.16Å
108	E	98.2	Very high	97.9	Very high	118 Å²	118	64.9 Å²	64.9	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-45.5	-179.4	-173.6	-176.5	-179.6	0	0	111.5	S104 M110 H112 L113	S104-E108 VanDerWaalsContact O-CB 3.23Å; S104-E108 WeakPolarHBondContact O-CB 3.25Å; S104-E108 PolarHBondContact O-N 3.08Å; E108-M110 VanDerWaalsContact C-N 3.3Å; E108-M110 PolarHBondContact O-N 3.21Å; E108-H112 VanDerWaalsContact O-CA 3.27Å; E108-H112 WeakPolarHBondContact O-CA 3.43Å; E108-H112 PolarHBondContact O-N 3.13Å; E108-L113 VanDerWaalsContact CA-O 3.31Å; E108-L113 WeakPolarHBondContact CA-O 3.25Å
109	K	98.1	Very high	97.8	Very high	133 Å²	133	64.7 Å²	64.7	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-37.3	-179.5	173.8	176.9	154.2	-136.7	0	113.3	K105 E106 V107	K105-K109 WeakPolarHBondContact O-CB 2.96Å; K105-K109 PolarHBondContact O-N 3.34Å; E106-K109 VanDerWaalsContact CD-NZ 3.31Å; E106-K109 IonicContact OE1-NZ 2.97Å; E106-K109 PolarHBondContact OE1-NZ 2.77Å; E106-K109 IonicContact OE2-NZ 2.76Å; E106-K109 PolarHBondContact OE2-NZ 3.17Å; V107-K109 PolarHBondContact O-N 2.83Å
110	M	97	Very high	97.8	Very high	112 Å²	112	66.4 Å²	66.4	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-91.7	-29.8	-176.3	-68.2	-172.1	68.2	0	0	113.8	I33 E106 V107 E108	I33-M110 HydrophobicContact CD1-CB 4.28Å; I33-M110 HydrophobicContact CD1-CE 4.4Å; I33-M110 HydrophobicContact CD1-SD 4.23Å; I33-M110 HydrophobicContact CG1-CE 4.37Å; I33-M110 HydrophobicContact CG1-SD 4.07Å; I33-M110 HydrophobicContact CG2-SD 4.1Å; E106-M110 WeakPolarHBondContact O-CB 3.17Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.16Å; V107-M110 PolarHBondContact O-N 3.4Å; E108-M110 VanDerWaalsContact C-N 3.3Å; E108-M110 PolarHBondContact O-N 3.21Å
111	T	97.7	Very high	97.6	Very high	8 Å²	8	69.2 Å²	69.2	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-122.4	-13.5	-167.2	71	0	0	0	0	114.1	Y25 I30 I33 V107 L113	Y25-T111 HydrophobicContact CD1-CG2 4.29Å; Y25-T111 HydrophobicContact CD2-CG2 4.47Å; Y25-T111 HydrophobicContact CE1-CG2 4.01Å; Y25-T111 HydrophobicContact CE2-CG2 4.2Å; I30-T111 HydrophobicContact CD1-CG2 3.79Å; I33-T111 HydrophobicContact CD1-CG2 3.8Å; V107-T111 WeakPolarHBondContact O-CB 3.36Å; V107-T111 PolarHBondContact O-N 2.76Å; V107-T111 PolarHBondContact O-OG1 2.81Å; T111-L113 PolarHBondContact O-N 2.93Å; T111-L113 WeakPolarHBondContact OG1-CB 3.29Å; T111-L113 WeakPolarHBondContact OG1-CG 3.44Å; T111-L113 PolarHBondContact OG1-N 3.35Å
112	H	97.7	Very high	97.5	Very high	162 Å²	162	65 Å²	65	75%	0.75	32%	0.323	S	S	*	.			trans	57.3	20.6	-169.8	-54	-62.3	0	0	0	114.1	E108	E108-H112 VanDerWaalsContact O-CA 3.27Å; E108-H112 WeakPolarHBondContact O-CA 3.43Å; E108-H112 PolarHBondContact O-N 3.13Å
113	L	98.5	Very high	97.3	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.042	33%	0.329	C	S	.	.			trans	-88	141.2	169	-56.7	176.2	0	0	0	109.8	Y25 I30 V73 K76 V78 V107 E108 T111	Y25-L113 HydrophobicContact CD2-CD1 3.92Å; Y25-L113 HydrophobicContact CD2-CG 4.44Å; I30-L113 HydrophobicContact CD1-CD1 4.1Å; V73-L113 HydrophobicContact CG1-CD1 3.87Å; K76-L113 WeakPolarHBondContact O-CA 3.4Å; V78-L113 HydrophobicContact CG2-CB 3.92Å; V78-L113 HydrophobicContact CG2-CD1 3.63Å; V78-L113 HydrophobicContact CG2-CG 4.41Å; V107-L113 HydrophobicContact CG1-CB 4.3Å; E108-L113 VanDerWaalsContact CA-O 3.31Å; E108-L113 WeakPolarHBondContact CA-O 3.25Å; T111-L113 PolarHBondContact O-N 2.93Å; T111-L113 WeakPolarHBondContact OG1-CB 3.29Å; T111-L113 WeakPolarHBondContact OG1-CG 3.44Å; T111-L113 PolarHBondContact OG1-N 3.35Å
114	E	98.4	Very high	97.2	Very high	110 Å²	110	69.2 Å²	69.2	51%	0.514	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.7	174.8	178.1	-176.4	-151.8	0	0	109.7	K76 Q77 V78 I116	K76-E114 PolarHBondContact O-N 2.85Å; Q77-E114 CarbonylContact C-O 3.49Å; Q77-E114 WeakPolarHBondContact CA-O 3.36Å; Q77-E114 HydrophobicContact CG-CB 4.29Å; Q77-E114 PolarHBondContact NE2-OE2 3.5Å; Q77-E114 VanDerWaalsContact NE2-OE2 3.09Å; V78-E114 PolarHBondContact N-O 2.81Å; E114-I116 HydrophobicContact CG-CG2 3.94Å; E114-I116 PolarHBondContact O-N 2.76Å
115	V	98.5	Very high	97	Very high	20 Å²	20	71.2 Å²	71.2	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	112.9	170.6	-178.1	0	0	0	0	107.9	V78 V80 I103 V107 V118	V78-V115 HydrophobicContact CB-CG2 4.42Å; V78-V115 WeakPolarHBondContact O-CA 3.24Å; V80-V115 HydrophobicContact CG2-CG1 4.19Å; I103-V115 HydrophobicContact CG2-CG1 4.25Å; I103-V115 HydrophobicContact CG2-CG2 4.27Å; V107-V115 HydrophobicContact CB-CG2 3.73Å; V107-V115 HydrophobicContact CG1-CG2 3.76Å; V107-V115 HydrophobicContact CG2-CG2 4.16Å; V115-V118 HydrophobicContact CG1-CG2 3.49Å; V115-V118 VanDerWaalsContact CG1-CG2 3.49Å
116	I	98.2	Very high	96.9	Very high	91 Å²	91	67.6 Å²	67.6	47%	0.467	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-23	-174.8	56.5	166.8	0	0	0	113.1	Q77 V78 E114	Q77-I116 HydrophobicContact CB-CD1 4.23Å; Q77-I116 HydrophobicContact CB-CG1 4.38Å; Q77-I116 HydrophobicContact CB-CG2 4.07Å; Q77-I116 HydrophobicContact CG-CG2 3.73Å; V78-I116 WeakPolarHBondContact O-CG1 3.31Å; V78-I116 PolarHBondContact O-N 3.4Å; E114-I116 HydrophobicContact CG-CG2 3.94Å; E114-I116 PolarHBondContact O-N 2.76Å
117	E	97.6	Very high	96.8	Very high	98 Å²	98	67.7 Å²	67.7	46%	0.458	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	136.4	-176	-173.1	171.4	176.5	0	0	109.9	A79 V80 N119	A79-E117 HydrophobicContact CB-CB 4.23Å; V80-E117 PolarHBondContact N-O 3.44Å; E117-N119 PolarHBondContact OE1-ND2 3.34Å; E117-N119 PolarHBondContact OE1-OD1 3.42Å
118	V	98	Very high	96.5	Very high	21 Å²	21	71.7 Å²	71.7	13%	0.127	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	107.5	172.5	-176.3	0	0	0	0	107.8	V80 M82 T100 I103 V115 V120	V80-V118 HydrophobicContact CB-CG1 4.43Å; V80-V118 HydrophobicContact CB-CG2 4.36Å; V80-V118 CarbonylContact O-C 3.58Å; V80-V118 WeakPolarHBondContact O-CA 3.38Å; M82-V118 HydrophobicContact CE-CG1 4.42Å; T100-V118 HydrophobicContact CG2-CB 3.89Å; T100-V118 HydrophobicContact CG2-CG1 3.92Å; T100-V118 HydrophobicContact CG2-CG2 4.41Å; I103-V118 HydrophobicContact CD1-CG1 3.98Å; I103-V118 HydrophobicContact CG2-CG2 4.23Å; V115-V118 HydrophobicContact CG1-CG2 3.49Å; V115-V118 VanDerWaalsContact CG1-CG2 3.49Å; V118-V120 HydrophobicContact CG1-CG2 4.01Å
119	N	96.8	Very high	96.2	Very high	66 Å²	66	71.7 Å²	71.7	35%	0.353	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.2	175.1	-63.4	-46.3	0	0	0	109.4	V80 D81 M82 E117	V80-N119 PolarHBondContact O-N 3.19Å; D81-N119 CarbonylContact C-O 3.58Å; D81-N119 WeakPolarHBondContact CA-O 3.48Å; D81-N119 VanDerWaalsContact OD1-CB 3.25Å; D81-N119 WeakPolarHBondContact OD1-CB 2.77Å; D81-N119 PolarHBondContact OD1-ND2 3Å; M82-N119 PolarHBondContact N-O 2.85Å; E117-N119 PolarHBondContact OE1-ND2 3.34Å; E117-N119 PolarHBondContact OE1-OD1 3.42Å
120	V	96	Very high	95.9	Very high	35 Å²	35	70 Å²	70	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.8	179.7	178.6	0	0	0	0	108.5	M82 I84 F96 M99 V118	M82-V120 HydrophobicContact CG-CB 4.4Å; M82-V120 HydrophobicContact CG-CG1 4.43Å; M82-V120 HydrophobicContact CG-CG2 3.76Å; M82-V120 CarbonylContact O-C 3.58Å; M82-V120 WeakPolarHBondContact O-CA 3.42Å; M82-V120 HydrophobicContact SD-CG2 4.1Å; I84-V120 HydrophobicContact CB-CG1 4.44Å; I84-V120 HydrophobicContact CD1-CG1 3.39Å; I84-V120 HydrophobicContact CG1-CG1 3.57Å; I84-V120 HydrophobicContact CG2-CG1 4.07Å; F96-V120 HydrophobicContact CD2-CB 3.71Å; F96-V120 HydrophobicContact CD2-CG1 4.39Å; F96-V120 HydrophobicContact CD2-CG2 3.63Å; F96-V120 HydrophobicContact CE2-CB 3.83Å; F96-V120 HydrophobicContact CE2-CG2 3.61Å; M99-V120 HydrophobicContact CE-CG1 4.15Å; M99-V120 HydrophobicContact CE-CG2 3.97Å; V118-V120 HydrophobicContact CG1-CG2 4.01Å
121	N	95	Very high	95.5	Very high	90 Å²	90	66.4 Å²	66.4	48%	0.481	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.8	173.3	171	57.8	0	0	0	109.6	M82 D83 I84 V123	M82-N121 PolarHBondContact O-N 2.91Å; D83-N121 CarbonylContact C-O 3.49Å; D83-N121 VanDerWaalsContact CA-O 3.29Å; D83-N121 WeakPolarHBondContact CA-O 3.31Å; D83-N121 VanDerWaalsContact OD1-CB 3.25Å; D83-N121 WeakPolarHBondContact OD1-CB 3.29Å; D83-N121 PolarHBondContact OD1-ND2 3.17Å; I84-N121 PolarHBondContact N-O 3.43Å; N121-V123 WeakPolarHBondContact ND2-CG1 3.41Å; N121-V123 PolarHBondContact O-N 3.02Å
122	V	95.2	Very high	94.9	Very high	51 Å²	51	71.1 Å²	71.1	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	104.4	178.6	-177.2	0	0	0	0	108.3	I84 V86 V92 D124 I125	I84-V122 HydrophobicContact CD1-CG2 4.11Å; I84-V122 HydrophobicContact CG1-CB 4.48Å; I84-V122 HydrophobicContact CG1-CG2 3.96Å; I84-V122 CarbonylContact O-C 3.59Å; I84-V122 WeakPolarHBondContact O-CA 3.36Å; V86-V122 HydrophobicContact CB-CG1 4.47Å; V86-V122 HydrophobicContact CG2-CG1 4.03Å; V86-V122 HydrophobicContact CG2-CG2 4.23Å; V92-V122 HydrophobicContact CG1-CG2 3.8Å; V122-D124 WeakPolarHBondContact CG1-O 3.29Å; V122-I125 HydrophobicContact CG1-CG1 4.13Å
123	V	93.7	Very high	94.4	Very high	63 Å²	63	69.5 Å²	69.5	38%	0.382	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-25	-176.7	-66.1	0	0	0	0	112.9	D48 D83 I84 V85 N121	D48-V123 HydrophobicContact CB-CG2 4.02Å; D83-V123 HydrophobicContact CB-CG1 3.66Å; D83-V123 HydrophobicContact CB-CG2 4.49Å; I84-V123 VanDerWaalsContact O-CG2 3.31Å; I84-V123 WeakPolarHBondContact O-CG2 3.47Å; I84-V123 PolarHBondContact O-N 3.45Å; V85-V123 HydrophobicContact CG2-CG2 3.94Å; N121-V123 WeakPolarHBondContact ND2-CG1 3.41Å; N121-V123 PolarHBondContact O-N 3.02Å
124	D	93.6	Very high	93.5	Very high	73 Å²	73	72.9 Å²	72.9	39%	0.39	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	161.7	178.2	-152	-5.8	0	0	0	112.6	V85 V86 V122 K126	V85-D124 WeakPolarHBondContact CA-O 3.46Å; V85-D124 HydrophobicContact CG1-CB 4.11Å; V85-D124 HydrophobicContact CG2-CB 4.09Å; V86-D124 PolarHBondContact N-O 2.89Å; V86-D124 VanDerWaalsContact N-O 3.13Å; V122-D124 WeakPolarHBondContact CG1-O 3.29Å; D124-K126 WeakPolarHBondContact OD2-CE 3.39Å; D124-K126 IonicContact OD2-NZ 3.51Å
125	I	95.6	Very high	92.3	Very high	81 Å²	81	69.5 Å²	69.5	42%	0.415	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.6	171.3	-61.6	178	0	0	0	108.4	V86 Y88 V122	V86-I125 VanDerWaalsContact O-CA 3.29Å; V86-I125 WeakPolarHBondContact O-CA 3.49Å; Y88-I125 HydrophobicContact CD2-CG2 4.13Å; V122-I125 HydrophobicContact CG1-CG1 4.13Å
126	K	94.3	Very high	91	Very high	41 Å²	41	75 Å²	75	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.8	-175.2	-64.1	-171.9	-178.3	-176.2	0	112.1	L45 V85 V86 E87 Y88 D124 E130 D134	L45-K126 HydrophobicContact CD1-CB 3.83Å; L45-K126 WeakPolarHBondContact CD1-O 3.45Å; V85-K126 HydrophobicContact CG1-CB 4.41Å; V85-K126 HydrophobicContact CG1-CD 4.34Å; V85-K126 HydrophobicContact CG1-CG 4.14Å; V86-K126 PolarHBondContact O-N 3.19Å; V86-K126 VanDerWaalsContact O-N 3.08Å; E87-K126 CarbonylContact C-O 3.5Å; E87-K126 VanDerWaalsContact CA-O 3.31Å; E87-K126 WeakPolarHBondContact CA-O 3.25Å; Y88-K126 PolarHBondContact N-O 2.81Å; D124-K126 WeakPolarHBondContact OD2-CE 3.39Å; D124-K126 IonicContact OD2-NZ 3.51Å; K126-E130 WeakPolarHBondContact CA-OE2 3.46Å; K126-E130 HydrophobicContact CB-CB 4.16Å; K126-D134 IonicContact NZ-OD2 3.7Å; K126-D134 PolarHBondContact NZ-OD2 2.88Å
127	T	96.6	Very high	89.5	Confident	41 Å²	41	73.8 Å²	73.8	25%	0.252	37%	0.374	S	S	.	.			trans	-68.8	163.8	162.2	85	0	0	0	0	110.3	E129 E130 Y131	T127-E129 VanDerWaalsContact C-N 3.25Å; T127-E129 VanDerWaalsContact CB-OE2 3.29Å; T127-E129 WeakPolarHBondContact CB-OE2 3.34Å; T127-E129 PolarHBondContact O-N 3.24Å; T127-E129 PolarHBondContact OG1-N 3Å; T127-E129 PolarHBondContact OG1-OE2 3.2Å; T127-E130 PolarHBondContact N-OE2 3.04Å; T127-E130 PolarHBondContact O-N 3.47Å; T127-E130 PolarHBondContact OG1-N 3.33Å; T127-Y131 PolarHBondContact O-N 3.1Å
128	R	91.7	Very high	88.2	Confident	83 Å²	83	73.6 Å²	73.6	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-39.8	175.6	-174.2	66.9	63.8	167.2	-0.2	110.6	E87 Y131 E132	E87-R128 IonicContact OE2-CZ 2.73Å; E87-R128 IonicContact OE2-NE 2.78Å; E87-R128 IonicContact OE2-NH2 2.62Å; E87-R128 PolarHBondContact OE2-NH2 3.06Å; R128-Y131 PolarHBondContact O-N 3Å; R128-E132 WeakPolarHBondContact CG-OE1 3.48Å; R128-E132 WeakPolarHBondContact O-CG 2.83Å; R128-E132 PolarHBondContact O-N 2.91Å
129	E	92.2	Very high	86.8	Confident	118 Å²	118	77.3 Å²	77.3	55%	0.551	40%	0.395	S	S	*	.	H	α-helix	trans	-62.6	-47.5	177.9	-59.2	77.8	-170.2	0	0	111.8	T127 Y131 E132 E133	T127-E129 VanDerWaalsContact C-N 3.25Å; T127-E129 VanDerWaalsContact CB-OE2 3.29Å; T127-E129 WeakPolarHBondContact CB-OE2 3.34Å; T127-E129 PolarHBondContact O-N 3.24Å; T127-E129 PolarHBondContact OG1-N 3Å; T127-E129 PolarHBondContact OG1-OE2 3.2Å; E129-Y131 VanDerWaalsContact C-N 3.28Å; E129-Y131 PolarHBondContact O-N 2.93Å; E129-E132 PolarHBondContact O-N 3.2Å; E129-E133 WeakPolarHBondContact O-CG 3.31Å; E129-E133 PolarHBondContact O-N 2.92Å
130	E	91	Very high	85.4	Confident	97 Å²	97	79.9 Å²	79.9	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-40.6	176.9	-72.9	175.9	144.4	0	0	111.8	K126 T127 D134	K126-E130 WeakPolarHBondContact CA-OE2 3.46Å; K126-E130 HydrophobicContact CB-CB 4.16Å; T127-E130 PolarHBondContact N-OE2 3.04Å; T127-E130 PolarHBondContact O-N 3.47Å; T127-E130 PolarHBondContact OG1-N 3.33Å; E130-D134 PolarHBondContact O-N 2.62Å; E130-D134 VanDerWaalsContact O-N 3.12Å
131	Y	88.4	Confident	84.2	Confident	37 Å²	37	84.9 Å²	84.9	15%	0.145	43%	0.428	C	S	.	.	H	α-helix	trans	-68.4	-37.3	178	178.1	-104.4	0	0	0	113.3	L45 T46 T127 R128 E129 S135	L45-Y131 HydrophobicContact CB-CD1 4.39Å; L45-Y131 HydrophobicContact CB-CD2 4.2Å; L45-Y131 HydrophobicContact CB-CE2 4.47Å; L45-Y131 HydrophobicContact CB-CG 4.17Å; L45-Y131 HydrophobicContact CD1-CG 4.31Å; L45-Y131 HydrophobicContact CD2-CD1 4.41Å; L45-Y131 HydrophobicContact CD2-CG 4.5Å; T46-Y131 WeakPolarHBondContact CB-OH 3.42Å; T46-Y131 HydrophobicContact CG2-CE2 3.7Å; T127-Y131 PolarHBondContact O-N 3.1Å; R128-Y131 PolarHBondContact O-N 3Å; E129-Y131 VanDerWaalsContact C-N 3.28Å; E129-Y131 PolarHBondContact O-N 2.93Å; Y131-S135 PolarHBondContact O-N 3.36Å; Y131-S135 PolarHBondContact O-OG 3.46Å
132	E	86.1	Confident	83.2	Confident	107 Å²	107	84.5 Å²	84.5	50%	0.5	43%	0.429	S	S	.	.	H	α-helix	trans	-69.3	-43.2	176.4	-73.2	174.1	-174.9	0	0	111.4	R128 E129 D134 S135 E136	R128-E132 WeakPolarHBondContact CG-OE1 3.48Å; R128-E132 WeakPolarHBondContact O-CG 2.83Å; R128-E132 PolarHBondContact O-N 2.91Å; E129-E132 PolarHBondContact O-N 3.2Å; E132-D134 PolarHBondContact O-N 3.07Å; E132-S135 WeakPolarHBondContact O-CB 3.47Å; E132-S135 PolarHBondContact O-N 3.16Å; E132-S135 VanDerWaalsContact O-N 3.16Å; E132-E136 PolarHBondContact O-N 2.94Å; E132-E136 VanDerWaalsContact O-N 3.07Å
133	E	86.4	Confident	82.2	Confident	129 Å²	129	84.8 Å²	84.8	60%	0.603	43%	0.432	S	S	*	.	H	α-helix	trans	-61.6	-41.9	176.6	-74.3	-176.7	-178.8	0	0	112.7	E129 S135 E136 T137	E129-E133 WeakPolarHBondContact O-CG 3.31Å; E129-E133 PolarHBondContact O-N 2.92Å; E133-S135 VanDerWaalsContact C-N 3.28Å; E133-S135 PolarHBondContact O-N 3.12Å; E133-E136 PolarHBondContact O-N 3.24Å; E133-T137 WeakPolarHBondContact O-CB 3.44Å; E133-T137 PolarHBondContact O-N 3.44Å; E133-T137 VanDerWaalsContact O-N 3.08Å; E133-T137 PolarHBondContact O-OG1 3.37Å
134	D	80.1	Confident	81.3	Confident	78 Å²	78	84.7 Å²	84.7	42%	0.417	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-38.3	175.5	-82.6	-18.4	0	0	0	111.5	K126 E130 E132 V138	K126-D134 IonicContact NZ-OD2 3.7Å; K126-D134 PolarHBondContact NZ-OD2 2.88Å; E130-D134 PolarHBondContact O-N 2.62Å; E130-D134 VanDerWaalsContact O-N 3.12Å; E132-D134 PolarHBondContact O-N 3.07Å; D134-V138 WeakPolarHBondContact O-CG2 3.34Å; D134-V138 PolarHBondContact O-N 3.11Å
135	S	74.2	Confident	80.5	Confident	39 Å²	39	83.8 Å²	83.8	27%	0.273	44%	0.437	S	S	.	.	H	α-helix	trans	-68.5	-42.6	-180	-64.3	0	0	0	0	112.3	Y131 E132 E133 Q139	Y131-S135 PolarHBondContact O-N 3.36Å; Y131-S135 PolarHBondContact O-OG 3.46Å; E132-S135 WeakPolarHBondContact O-CB 3.47Å; E132-S135 PolarHBondContact O-N 3.16Å; E132-S135 VanDerWaalsContact O-N 3.16Å; E133-S135 VanDerWaalsContact C-N 3.28Å; E133-S135 PolarHBondContact O-N 3.12Å; S135-Q139 PolarHBondContact O-N 3.08Å
136	E	71.6	Confident	79.7	Confident	137 Å²	137	83 Å²	83	64%	0.64	44%	0.443	S	S	*	.	H	α-helix	trans	-65.4	-42.8	177	-69.1	-170.1	165.8	0	0	111.9	E132 E133 V138 Q139 D140	E132-E136 PolarHBondContact O-N 2.94Å; E132-E136 VanDerWaalsContact O-N 3.07Å; E133-E136 PolarHBondContact O-N 3.24Å; E136-V138 VanDerWaalsContact C-N 3.25Å; E136-V138 PolarHBondContact O-N 3.44Å; E136-Q139 PolarHBondContact O-N 3.47Å; E136-Q139 VanDerWaalsContact O-N 3.11Å; E136-D140 PolarHBondContact O-N 3.33Å
137	T	66.4	Low	78.9	Confident	65 Å²	65	86.4 Å²	86.4	40%	0.399	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-36.4	-178.4	-63.2	0	0	0	0	112.2	E133 K141	E133-T137 WeakPolarHBondContact O-CB 3.44Å; E133-T137 PolarHBondContact O-N 3.44Å; E133-T137 VanDerWaalsContact O-N 3.08Å; E133-T137 PolarHBondContact O-OG1 3.37Å; T137-K141 HydrophobicContact CG2-CD 4.39Å; T137-K141 WeakPolarHBondContact O-CG 3.38Å; T137-K141 PolarHBondContact O-N 3.25Å
138	V	69.8	Low	78	Confident	94 Å²	94	88.8 Å²	88.8	57%	0.57	48%	0.475	S	S	*	.	H	α-helix	trans	-67.9	-46.6	177	-179.3	0	0	0	0	110.2	D134 E136 D140 K141 V142	D134-V138 WeakPolarHBondContact O-CG2 3.34Å; D134-V138 PolarHBondContact O-N 3.11Å; E136-V138 VanDerWaalsContact C-N 3.25Å; E136-V138 PolarHBondContact O-N 3.44Å; V138-D140 VanDerWaalsContact C-N 3.33Å; V138-D140 PolarHBondContact O-N 3.45Å; V138-K141 PolarHBondContact O-N 3.09Å; V138-V142 HydrophobicContact CG1-CG2 4.47Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 3.17Å; V138-V142 VanDerWaalsContact O-N 3.09Å
139	Q	67.3	Low	77.4	Confident	99 Å²	99	89.7 Å²	89.7	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-58.4	-42.6	179.8	-68.6	-168.9	11	0	0	112.7	E57 S135 E136 K141 V142 S143	E57-Q139 PolarHBondContact OE2-NE2 2.91Å; S135-Q139 PolarHBondContact O-N 3.08Å; E136-Q139 PolarHBondContact O-N 3.47Å; E136-Q139 VanDerWaalsContact O-N 3.11Å; Q139-K141 VanDerWaalsContact C-N 3.35Å; Q139-K141 PolarHBondContact O-N 3.07Å; Q139-V142 PolarHBondContact O-N 3.37Å; Q139-S143 WeakPolarHBondContact O-CB 3.3Å; Q139-S143 PolarHBondContact O-N 3.41Å
140	D	68	Low	76.8	Confident	119 Å²	119	86 Å²	86	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-63.6	-39.2	177.7	-93.2	-6	0	0	0	112.6	E136 V138 S144	E136-D140 PolarHBondContact O-N 3.33Å; V138-D140 VanDerWaalsContact C-N 3.33Å; V138-D140 PolarHBondContact O-N 3.45Å; D140-S144 VanDerWaalsContact O-CB 3.3Å; D140-S144 WeakPolarHBondContact O-CB 2.95Å; D140-S144 PolarHBondContact O-N 2.93Å; D140-S144 PolarHBondContact O-OG 3.3Å
141	K	71.3	Confident	76.2	Confident	141 Å²	141	88.3 Å²	88.3	61%	0.613	49%	0.492	S	S	*	.	H	α-helix	trans	-65.7	-42.5	176.2	-73.5	173.7	-176.7	173	0	111.9	T137 V138 Q139 S144 A145	T137-K141 HydrophobicContact CG2-CD 4.39Å; T137-K141 WeakPolarHBondContact O-CG 3.38Å; T137-K141 PolarHBondContact O-N 3.25Å; V138-K141 PolarHBondContact O-N 3.09Å; Q139-K141 VanDerWaalsContact C-N 3.35Å; Q139-K141 PolarHBondContact O-N 3.07Å; K141-S144 WeakPolarHBondContact CA-OG 3.33Å; K141-S144 PolarHBondContact O-OG 3.11Å; K141-A145 WeakPolarHBondContact O-CB 3.35Å; K141-A145 PolarHBondContact O-N 2.97Å; K141-A145 VanDerWaalsContact O-N 3.11Å
142	V	74.1	Confident	75.9	Confident	82 Å²	82	93.3 Å²	93.3	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-69.3	-40.9	177.1	-116.3	0	0	0	0	111.8	V138 Q139 A145 A146	V138-V142 HydrophobicContact CG1-CG2 4.47Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 3.17Å; V138-V142 VanDerWaalsContact O-N 3.09Å; Q139-V142 PolarHBondContact O-N 3.37Å; V142-A145 PolarHBondContact O-N 2.83Å; V142-A146 WeakPolarHBondContact O-CB 3.39Å; V142-A146 PolarHBondContact O-N 2.99Å
143	S	74.1	Confident	75.8	Confident	56 Å²	56	90.6 Å²	90.6	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-47.4	177.4	-178.7	0	0	0	0	111.6	Q139 A145 A146 Q147	Q139-S143 WeakPolarHBondContact O-CB 3.3Å; Q139-S143 PolarHBondContact O-N 3.41Å; S143-A145 PolarHBondContact O-N 2.93Å; S143-A146 PolarHBondContact O-N 3.46Å; S143-Q147 WeakPolarHBondContact O-CG 3.34Å; S143-Q147 PolarHBondContact O-N 3.3Å
144	S	74.8	Confident	75.6	Confident	61 Å²	61	86.7 Å²	86.7	43%	0.427	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-38.9	178.4	58.3	0	0	0	0	112.9	D140 K141 T148	D140-S144 VanDerWaalsContact O-CB 3.3Å; D140-S144 WeakPolarHBondContact O-CB 2.95Å; D140-S144 PolarHBondContact O-N 2.93Å; D140-S144 PolarHBondContact O-OG 3.3Å; K141-S144 WeakPolarHBondContact CA-OG 3.33Å; K141-S144 PolarHBondContact O-OG 3.11Å; S144-T148 WeakPolarHBondContact O-CB 3.44Å; S144-T148 PolarHBondContact O-N 3.35Å; S144-T148 PolarHBondContact O-OG1 3.4Å
145	A	77.2	Confident	75.6	Confident	54 Å²	54	89.1 Å²	89.1	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.4	0	0	0	0	0	112.3	K141 V142 S143 T148 T149	K141-A145 WeakPolarHBondContact O-CB 3.35Å; K141-A145 PolarHBondContact O-N 2.97Å; K141-A145 VanDerWaalsContact O-N 3.11Å; V142-A145 PolarHBondContact O-N 2.83Å; S143-A145 PolarHBondContact O-N 2.93Å; A145-T148 PolarHBondContact O-N 2.98Å; A145-T149 PolarHBondContact O-N 3.35Å; A145-T149 PolarHBondContact O-OG1 2.92Å; A145-T149 VanDerWaalsContact O-OG1 3.06Å
146	A	78.1	Confident	76.1	Confident	66 Å²	66	93.3 Å²	93.3	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-45.3	177	0	0	0	0	0	111.9	V142 S143 T148 T149 G150	V142-A146 WeakPolarHBondContact O-CB 3.39Å; V142-A146 PolarHBondContact O-N 2.99Å; S143-A146 PolarHBondContact O-N 3.46Å; A146-T148 VanDerWaalsContact C-N 3.3Å; A146-T148 PolarHBondContact O-N 2.77Å; A146-T149 PolarHBondContact O-N 3.05Å; A146-G150 PolarHBondContact O-N 3.06Å
147	Q	77.1	Confident	76.7	Confident	111 Å²	111	91 Å²	91	52%	0.519	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-38.1	176	-72.5	-178.8	11.5	0	0	112.3	S143 G150 K151	S143-Q147 WeakPolarHBondContact O-CG 3.34Å; S143-Q147 PolarHBondContact O-N 3.3Å; Q147-G150 PolarHBondContact O-N 2.96Å; Q147-K151 WeakPolarHBondContact O-CB 3.3Å; Q147-K151 VanDerWaalsContact O-CG 3.3Å; Q147-K151 WeakPolarHBondContact O-CG 3.41Å; Q147-K151 PolarHBondContact O-N 3.36Å
148	T	77.9	Confident	77.6	Confident	92 Å²	92	92.4 Å²	92.4	56%	0.564	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-45.3	178.8	-59.4	0	0	0	0	111	S144 A145 A146 K151 F152	S144-T148 WeakPolarHBondContact O-CB 3.44Å; S144-T148 PolarHBondContact O-N 3.35Å; S144-T148 PolarHBondContact O-OG1 3.4Å; A145-T148 PolarHBondContact O-N 2.98Å; A146-T148 VanDerWaalsContact C-N 3.3Å; A146-T148 PolarHBondContact O-N 2.77Å; T148-K151 PolarHBondContact O-N 2.91Å; T148-F152 PolarHBondContact O-N 3.44Å
149	T	79.5	Confident	78.3	Confident	101 Å²	101	95.9 Å²	95.9	62%	0.62	53%	0.526	S	S	*	.	H	α-helix	trans	-61.3	-44.7	174.9	-56.4	0	0	0	0	111.4	A145 A146 K151 F152 A153	A145-T149 PolarHBondContact O-N 3.35Å; A145-T149 PolarHBondContact O-OG1 2.92Å; A145-T149 VanDerWaalsContact O-OG1 3.06Å; A146-T149 PolarHBondContact O-N 3.05Å; T149-K151 PolarHBondContact O-N 2.98Å; T149-F152 PolarHBondContact O-N 3.46Å; T149-A153 PolarHBondContact O-N 2.97Å
150	G	80.3	Confident	79.2	Confident	41 Å²	41	94.1 Å²	94.1	42%	0.423	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-44.2	176.4	0	0	0	0	0	113.1	A146 Q147 F152 A153 A154	A146-G150 PolarHBondContact O-N 3.06Å; Q147-G150 PolarHBondContact O-N 2.96Å; G150-F152 VanDerWaalsContact C-N 3.33Å; G150-F152 PolarHBondContact O-N 3.23Å; G150-A153 PolarHBondContact O-N 3.2Å; G150-A154 WeakPolarHBondContact O-CB 3.42Å; G150-A154 PolarHBondContact O-N 3.42Å
151	K	76.7	Confident	80.1	Confident	146 Å²	146	95.5 Å²	95.5	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-37.9	175.4	-76.1	173.5	-177.4	170.6	0	112	Q147 T148 T149 K155	Q147-K151 WeakPolarHBondContact O-CB 3.3Å; Q147-K151 VanDerWaalsContact O-CG 3.3Å; Q147-K151 WeakPolarHBondContact O-CG 3.41Å; Q147-K151 PolarHBondContact O-N 3.36Å; T148-K151 PolarHBondContact O-N 2.91Å; T149-K151 PolarHBondContact O-N 2.98Å; K151-K155 VanDerWaalsContact O-CB 3.29Å; K151-K155 WeakPolarHBondContact O-CB 3.29Å; K151-K155 PolarHBondContact O-N 3Å
152	F	82.3	Confident	80.6	Confident	142 Å²	142	93.7 Å²	93.7	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-48	177	-177	-91.7	0	0	0	111.6	T148 T149 G150 A154 K155 Q156	T148-F152 PolarHBondContact O-N 3.44Å; T149-F152 PolarHBondContact O-N 3.46Å; G150-F152 VanDerWaalsContact C-N 3.33Å; G150-F152 PolarHBondContact O-N 3.23Å; F152-A154 PolarHBondContact O-N 2.87Å; F152-K155 PolarHBondContact O-N 3.36Å; F152-Q156 PolarHBondContact O-N 3.49Å
153	A	84.1	Confident	81.1	Confident	49 Å²	49	92.6 Å²	92.6	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-58.7	-48.4	176.7	0	0	0	0	0	111.4	T149 G150 K155 Q156 T157	T149-A153 PolarHBondContact O-N 2.97Å; G150-A153 PolarHBondContact O-N 3.2Å; A153-K155 VanDerWaalsContact C-N 3.32Å; A153-K155 PolarHBondContact O-N 3.49Å; A153-Q156 PolarHBondContact O-N 3Å; A153-Q156 VanDerWaalsContact O-N 3.16Å; A153-T157 PolarHBondContact O-N 2.98Å; A153-T157 PolarHBondContact O-OG1 3.41Å
154	A	82.5	Confident	81.3	Confident	48 Å²	48	95.8 Å²	95.8	40%	0.397	54%	0.537	S	S	.	.	H	α-helix	trans	-56.6	-45.1	175.8	0	0	0	0	0	111.9	G150 F152 Q156 T157 D158	G150-A154 WeakPolarHBondContact O-CB 3.42Å; G150-A154 PolarHBondContact O-N 3.42Å; F152-A154 PolarHBondContact O-N 2.87Å; A154-Q156 VanDerWaalsContact C-N 3.31Å; A154-Q156 PolarHBondContact O-N 3.26Å; A154-T157 PolarHBondContact O-N 3.36Å; A154-D158 WeakPolarHBondContact O-CB 3.48Å; A154-D158 PolarHBondContact O-N 3.22Å
155	K	80	Confident	81.6	Confident	129 Å²	129	96.3 Å²	96.3	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-65	-32.9	179.6	-160.3	170.5	-168.9	173	0	112.7	K151 F152 A153 R159	K151-K155 VanDerWaalsContact O-CB 3.29Å; K151-K155 WeakPolarHBondContact O-CB 3.29Å; K151-K155 PolarHBondContact O-N 3Å; F152-K155 PolarHBondContact O-N 3.36Å; A153-K155 VanDerWaalsContact C-N 3.32Å; A153-K155 PolarHBondContact O-N 3.49Å; K155-R159 WeakPolarHBondContact O-CB 3.42Å; K155-R159 VanDerWaalsContact O-CG 3.26Å; K155-R159 WeakPolarHBondContact O-CG 3.44Å; K155-R159 PolarHBondContact O-N 2.94Å; K155-R159 VanDerWaalsContact O-N 3.15Å
156	Q	84.6	Confident	81.5	Confident	126 Å²	126	98.9 Å²	98.9	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-73.9	-40.9	175.6	-160.5	-179	11	0	0	111.6	F152 A153 A154 R159 A160	F152-Q156 PolarHBondContact O-N 3.49Å; A153-Q156 PolarHBondContact O-N 3Å; A153-Q156 VanDerWaalsContact O-N 3.16Å; A154-Q156 VanDerWaalsContact C-N 3.31Å; A154-Q156 PolarHBondContact O-N 3.26Å; Q156-R159 PolarHBondContact O-N 3.35Å; Q156-A160 PolarHBondContact O-N 2.97Å
157	T	85.1	Confident	81.2	Confident	90 Å²	90	101.9 Å²	101.9	55%	0.552	55%	0.55	S	S	*	.	H	α-helix	trans	-62.1	-44.1	173.5	-58.4	0	0	0	0	111.7	A153 A154 R159 A160 K161	A153-T157 PolarHBondContact O-N 2.98Å; A153-T157 PolarHBondContact O-OG1 3.41Å; A154-T157 PolarHBondContact O-N 3.36Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.16Å; T157-A160 PolarHBondContact O-N 3.22Å; T157-K161 WeakPolarHBondContact O-CB 3.34Å; T157-K161 PolarHBondContact O-N 2.92Å
158	D	84.4	Confident	80.9	Confident	93 Å²	93	104.2 Å²	104.2	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-40.9	177.2	-73.8	-27.2	0	0	0	111.6	A154 K161 N162	A154-D158 WeakPolarHBondContact O-CB 3.48Å; A154-D158 PolarHBondContact O-N 3.22Å; D158-K161 PolarHBondContact O-N 3.24Å; D158-N162 WeakPolarHBondContact O-CB 3.39Å; D158-N162 VanDerWaalsContact O-CG 3.22Å; D158-N162 PolarHBondContact O-N 3.46Å; D158-N162 PolarHBondContact O-ND2 2.86Å
159	R	84.4	Confident	80.5	Confident	168 Å²	168	102.4 Å²	102.4	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-61.9	-44.4	173.7	-77.5	175.4	177.7	-180	-0.9	112.1	K155 Q156 T157 N162 A163	K155-R159 WeakPolarHBondContact O-CB 3.42Å; K155-R159 VanDerWaalsContact O-CG 3.26Å; K155-R159 WeakPolarHBondContact O-CG 3.44Å; K155-R159 PolarHBondContact O-N 2.94Å; K155-R159 VanDerWaalsContact O-N 3.15Å; Q156-R159 PolarHBondContact O-N 3.35Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.16Å; R159-N162 PolarHBondContact O-N 3.44Å; R159-A163 WeakPolarHBondContact O-CB 3.26Å; R159-A163 PolarHBondContact O-N 2.9Å
160	A	87.1	Confident	79.9	Confident	62 Å²	62	105.2 Å²	105.2	51%	0.512	56%	0.556	S	S	.	*	H	α-helix	trans	-63.9	-43.1	177.4	0	0	0	0	0	111.9	Q156 T157 A163 L164	Q156-A160 PolarHBondContact O-N 2.97Å; T157-A160 PolarHBondContact O-N 3.22Å; A160-A163 PolarHBondContact O-N 3.35Å; A160-L164 WeakPolarHBondContact O-CB 3.49Å; A160-L164 PolarHBondContact O-N 3.15Å
161	K	86.2	Confident	78.9	Confident	148 Å²	148	106.7 Å²	106.7	64%	0.643	56%	0.557	S	S	*	*	H	α-helix	trans	-64.2	-40.6	177.6	-163.3	174.5	-175.9	-179.9	0	111.9	T157 D158 L164 S165	T157-K161 WeakPolarHBondContact O-CB 3.34Å; T157-K161 PolarHBondContact O-N 2.92Å; D158-K161 PolarHBondContact O-N 3.24Å; K161-L164 PolarHBondContact O-N 3.02Å; K161-S165 WeakPolarHBondContact O-CB 3.48Å; K161-S165 PolarHBondContact O-N 2.94Å
162	N	81.3	Confident	78.1	Confident	102 Å²	102	103.2 Å²	103.2	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-66.9	-41.8	175.4	-74.2	-25	0	0	0	112.3	D158 R159 S165 N166	D158-N162 WeakPolarHBondContact O-CB 3.39Å; D158-N162 VanDerWaalsContact O-CG 3.22Å; D158-N162 PolarHBondContact O-N 3.46Å; D158-N162 PolarHBondContact O-ND2 2.86Å; R159-N162 PolarHBondContact O-N 3.44Å; N162-S165 PolarHBondContact O-N 3.34Å; N162-N166 WeakPolarHBondContact O-CB 3.34Å; N162-N166 VanDerWaalsContact O-CG 3.31Å; N162-N166 PolarHBondContact O-N 3.4Å
163	A	85.5	Confident	77	Confident	60 Å²	60	102.7 Å²	102.7	50%	0.496	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-44.4	175.1	0	0	0	0	0	111.7	R159 A160 N166 Q167	R159-A163 WeakPolarHBondContact O-CB 3.26Å; R159-A163 PolarHBondContact O-N 2.9Å; A160-A163 PolarHBondContact O-N 3.35Å; A163-N166 PolarHBondContact O-N 3.47Å; A163-Q167 PolarHBondContact O-N 3.34Å
164	L	79.2	Confident	75.8	Confident	122 Å²	122	107.4 Å²	107.4	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-65.2	-40.6	177.4	-171.8	63.7	0	0	0	112.1	A160 K161 Q167 K168	A160-L164 WeakPolarHBondContact O-CB 3.49Å; A160-L164 PolarHBondContact O-N 3.15Å; K161-L164 PolarHBondContact O-N 3.02Å; L164-Q167 PolarHBondContact O-N 2.95Å; L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 2.97Å
165	S	79.9	Confident	74.5	Confident	72 Å²	72	111.9 Å²	111.9	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-61.3	-43.8	174.9	-173	0	0	0	0	111.7	K161 N162 Q167 K168 A169	K161-S165 WeakPolarHBondContact O-CB 3.48Å; K161-S165 PolarHBondContact O-N 2.94Å; N162-S165 PolarHBondContact O-N 3.34Å; S165-Q167 VanDerWaalsContact C-N 3.35Å; S165-Q167 PolarHBondContact O-N 3.34Å; S165-K168 PolarHBondContact O-N 3.48Å; S165-A169 PolarHBondContact O-N 2.97Å
166	N	75.9	Confident	73.4	Confident	108 Å²	108	112.9 Å²	112.9	58%	0.578	60%	0.596	S	S	*	*	H	α-helix	trans	-66.3	-35.6	177.9	-74.6	-12	0	0	0	112.5	N162 A163 K170	N162-N166 WeakPolarHBondContact O-CB 3.34Å; N162-N166 VanDerWaalsContact O-CG 3.31Å; N162-N166 PolarHBondContact O-N 3.4Å; A163-N166 PolarHBondContact O-N 3.47Å; N166-K170 PolarHBondContact O-N 3.06Å; N166-K170 VanDerWaalsContact O-N 3.12Å
167	Q	71.5	Confident	72.2	Confident	130 Å²	130	110.8 Å²	110.8	61%	0.607	60%	0.596	S	S	*	*	H	α-helix	trans	-69.7	-42.1	174.9	-169.6	173.9	-27.4	0	0	111.4	A163 L164 S165 A169 K170 T171	A163-Q167 PolarHBondContact O-N 3.34Å; L164-Q167 PolarHBondContact O-N 2.95Å; S165-Q167 VanDerWaalsContact C-N 3.35Å; S165-Q167 PolarHBondContact O-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.45Å; Q167-K170 PolarHBondContact O-N 3.32Å; Q167-T171 PolarHBondContact O-N 2.98Å; Q167-T171 PolarHBondContact O-OG1 3.16Å; Q167-T171 VanDerWaalsContact O-OG1 3.08Å
168	K	69.9	Low	70.8	Confident	159 Å²	159	114.7 Å²	114.7	69%	0.691	61%	0.608	S	S	*	*	H	α-helix	trans	-60.8	-42.5	176	-163.1	178.8	-176.1	-174.5	0	111.7	L164 S165 T171 S172	L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 2.97Å; S165-K168 PolarHBondContact O-N 3.48Å; K168-T171 PolarHBondContact O-N 3.25Å; K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 PolarHBondContact O-OG 3.2Å
169	A	70.8	Confident	69.5	Low	55 Å²	55	115.9 Å²	115.9	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-61.4	-45.8	175	0	0	0	0	0	112.1	S165 Q167 T171 S172 D173	S165-A169 PolarHBondContact O-N 2.97Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.45Å; A169-T171 PolarHBondContact O-N 3.43Å; A169-S172 PolarHBondContact O-N 3.08Å; A169-D173 PolarHBondContact O-N 3.45Å
170	K	66.8	Low	68.2	Low	160 Å²	160	119.5 Å²	119.5	70%	0.696	63%	0.634	S	S	*	*	H	α-helix	trans	-63.6	-37.8	177.8	-79.6	-173.9	177.4	-174	0	113.6	N166 Q167 Q174	N166-K170 PolarHBondContact O-N 3.06Å; N166-K170 VanDerWaalsContact O-N 3.12Å; Q167-K170 PolarHBondContact O-N 3.32Å; K170-Q174 PolarHBondContact O-N 3.34Å
171	T	59.9	Low	67.4	Low	71 Å²	71	123.1 Å²	123.1	44%	0.436	65%	0.65	S	S	.	*	H	α-helix	trans	-73.1	-32.6	178.2	-51.5	0	0	0	0	112	Q167 K168 A169 Q174 L175	Q167-T171 PolarHBondContact O-N 2.98Å; Q167-T171 PolarHBondContact O-OG1 3.16Å; Q167-T171 VanDerWaalsContact O-OG1 3.08Å; K168-T171 PolarHBondContact O-N 3.25Å; A169-T171 PolarHBondContact O-N 3.43Å; T171-Q174 PolarHBondContact O-N 3.43Å; T171-L175 HydrophobicContact CG2-CD1 4.38Å; T171-L175 PolarHBondContact O-N 3.37Å
172	S	58.4	Low	66	Low	74 Å²	74	128.7 Å²	128.7	52%	0.517	68%	0.677	S	S	.	*	H	α-helix	trans	-65.9	-37.1	174.3	-68.7	0	0	0	0	112.9	K168 A169	K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 PolarHBondContact O-OG 3.2Å; A169-S172 PolarHBondContact O-N 3.08Å
173	D	60	Low	65.2	Low	131 Å²	131	130 Å²	130	70%	0.701	68%	0.684	S	S	*	*	H	α-helix	trans	-69.3	-34	176.3	-80.7	-16	0	0	0	112.7	A169 N176	A169-D173 PolarHBondContact O-N 3.45Å; D173-N176 PolarHBondContact O-N 3.38Å
174	Q	58.7	Low	64.2	Low	148 Å²	148	133.7 Å²	133.7	69%	0.692	69%	0.694	S	S	*	*	H	α-helix	trans	-77.2	-23.4	-176.3	-135.6	169.6	13.8	0	0	113.8	K170 T171 N176 S177	K170-Q174 PolarHBondContact O-N 3.34Å; T171-Q174 PolarHBondContact O-N 3.43Å; Q174-N176 VanDerWaalsContact C-N 3.3Å; Q174-S177 PolarHBondContact O-OG 3.11Å; Q174-S177 VanDerWaalsContact O-OG 3.11Å
175	L	54.3	Low	63.3	Low	142 Å²	142	134.3 Å²	134.3	74%	0.743	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-17.5	174.2	-77.6	160.8	0	0	0	112.7	T171	T171-L175 HydrophobicContact CG2-CD1 4.38Å; T171-L175 PolarHBondContact O-N 3.37Å
176	N	58.5	Low	62.3	Low	149 Å²	149	138 Å²	138	80%	0.797	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	7.1	-178.3	-151	22	0	0	0	113.5	D173 Q174	D173-N176 PolarHBondContact O-N 3.38Å; Q174-N176 VanDerWaalsContact C-N 3.3Å
177	S	58.8	Low	61.5	Low	83 Å²	83	139.9 Å²	139.9	58%	0.58	72%	0.716	S	S	*	*			trans	-104.8	76.1	172.6	54.4	0	0	0	0	110.3	Q174	Q174-S177 PolarHBondContact O-OG 3.11Å; Q174-S177 VanDerWaalsContact O-OG 3.11Å
178	E	55.3	Low	60.8	Low	171 Å²	171	140.5 Å²	140.5	80%	0.799	72%	0.724	S	S	*	*			trans	-65.5	140.7	170.1	-72.5	-173.1	138	0	0	110.7	R180	E178-R180 PolarHBondContact O-N 3.2Å
179	P	57.4	Low	60.2	Low	118 Å²	118	139.2 Å²	139.2	77%	0.766	73%	0.726	S	S	*	*			trans	-74.3	118.4	178	30.3	-30	0	0	0	109.1	V181	P179-V181 PolarHBondContact O-N 3.28Å
180	R	57.3	Low	59.4	Low	245 Å²	245	145.7 Å²	145.7	93%	0.925	75%	0.747	S	S	*	*			trans	-73	107.3	167.9	-59.2	-160.6	78.4	-153.1	1.8	108.5	E178	E178-R180 PolarHBondContact O-N 3.2Å
181	V	70.8	Confident	58.8	Low	138 Å²	138	144.5 Å²	144.5	84%	0.836	75%	0.751	S	S	*	*			trans	-76.9	133.6	165.9	-76.3	0	0	0	0	109.6	P179	P179-V181 PolarHBondContact O-N 3.28Å
182	H	55.8	Low	58.7	Low	264 Å²	264	151.2 Å²	151.2	100%	1.222	78%	0.78	S	S	*	*			trans	-104.6	0	176.2	-143.9	55.5	0	0	0	109.3

Retrieved 182 of 182 residues in 150.2 ms (Link to these results)

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