A0A087YAM4_POEFO Loading...

Ribonuclease P/MRP 14 subunit

AlphaFold DB , UniProt , Accession A0A087YAM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

						>A0A087YAM4_POEFO|A0A087YAM4
LDTAQQKMRAGAEEAESSGYQRVVLKNASPHHYLKVRLVLEDESARVSAIDLKTFITSCLRSLFGEVGAALNVDVLKYDEETLTALLRVPSRGLVKLWSSLTLQGFYQNRACAFRVLQVSPFLLALTGNSRDLQLD
					

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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	L	49.2	Very low	36.5	Very low	216 Å²	216	145.3 Å²	145.3	100%	1.131	78%	0.78	S	S	*	*				0	40.1	0	-60.3	170.3	0	0	0	107.1
2	D	33.3	Very low	37	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	78%	0.784	S	S	*	*				50.7	79.8	91.1	-90.1	-75.1	0	0	0	111.4
3	T	34.9	Very low	37.3	Very low	120 Å²	120	144.8 Å²	144.8	74%	0.736	79%	0.79	S	S	*	*				71.1	111.5	74.3	-44.4	0	0	0	0	112.5
4	A	35	Very low	38	Very low	73 Å²	73	147.1 Å²	147.1	60%	0.603	79%	0.793	S	S	*	*			trans	24.1	133.7	143.8	0	0	0	0	0	121
5	Q	34.8	Very low	38.6	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	79%	0.786	S	S	*	*			trans	77.4	140	139.2	-77.6	174.8	-101.7	0	0	120.5
6	Q	33.3	Very low	39.6	Very low	148 Å²	148	144.9 Å²	144.9	69%	0.692	79%	0.788	S	S	*	*			trans	90.3	91.8	141.8	-129	93.5	6.6	0	0	118.7
7	K	41.7	Very low	41	Very low	202 Å²	202	143.4 Å²	143.4	88%	0.878	79%	0.791	S	S	*	*				176.3	89.8	118.1	-100.7	178.3	173.8	-174.2	0	107.7
8	M	32.4	Very low	42.4	Very low	134 Å²	134	141.7 Å²	141.7	66%	0.66	79%	0.791	S	S	*	*				35.4	116.5	80.3	-78.5	-72.8	-82.7	0	0	114
9	R	34.1	Very low	44.3	Very low	228 Å²	228	137.6 Å²	137.6	86%	0.86	78%	0.783	S	S	*	*			trans	71	141	152.1	-63.3	174.3	169.9	-168.7	-3.2	114.4
10	A	33.9	Very low	46.3	Very low	104 Å²	104	140.8 Å²	140.8	86%	0.86	78%	0.784	S	S	*	*			cis	-169	162.4	12.3	0	0	0	0	0	104.4
11	G	38.5	Very low	48.2	Very low	57 Å²	57	141.7 Å²	141.7	59%	0.588	78%	0.782	S	S	*	*			cis	-149.6	164.7	0.5	0	0	0	0	0	106.7	E13	G11-E13 PolarHBondContact O-N 3.38Å
12	A	43.3	Very low	50.2	Low	100 Å²	100	140.8 Å²	140.8	83%	0.826	76%	0.764	S	S	*	*				38.6	48.2	50.3	0	0	0	0	0	111.5	E14	A12-E14 PolarHBondContact O-N 3.02Å
13	E	40.4	Very low	53	Low	184 Å²	184	138.1 Å²	138.1	86%	0.86	75%	0.752	S	S	*	*			trans	-80.4	75.7	146	-74.4	-175.8	152.5	0	0	106.4	G11 A15	G11-E13 PolarHBondContact O-N 3.38Å; E13-A15 PolarHBondContact O-N 3.33Å
14	E	46.9	Very low	55.7	Low	178 Å²	178	137.1 Å²	137.1	83%	0.832	75%	0.746	S	S	*	*			trans	-52	85.6	130.5	-79.2	176.6	152	0	0	105.1	A12 E16	A12-E14 PolarHBondContact O-N 3.02Å; E14-E16 PolarHBondContact O-N 2.91Å
15	A	46.7	Very low	58.2	Low	84 Å²	84	139.8 Å²	139.8	69%	0.694	75%	0.749	S	S	*	*			trans	-62	95.1	162.1	0	0	0	0	0	103.8	E13 S17	E13-A15 PolarHBondContact O-N 3.33Å; A15-S17 PolarHBondContact O-N 3.03Å
16	E	55.8	Low	60.5	Low	175 Å²	175	140.9 Å²	140.9	82%	0.818	75%	0.752	S	S	*	*			trans	-41.7	109.4	164.2	-77	-178.9	141	0	0	105.9	E14 S18	E14-E16 PolarHBondContact O-N 2.91Å; E16-S18 PolarHBondContact O-N 3.41Å
17	S	62.4	Low	62.8	Low	119 Å²	119	141.7 Å²	141.7	83%	0.832	76%	0.761	S	S	*	*			trans	-72.2	64.7	176.5	61.2	0	0	0	0	108.3	A15 G19	A15-S17 PolarHBondContact O-N 3.03Å; S17-G19 PolarHBondContact O-N 3.26Å; S17-G19 VanDerWaalsContact O-N 3.09Å
18	S	66.9	Low	64.7	Low	113 Å²	113	135.1 Å²	135.1	79%	0.79	74%	0.744	S	S	*	*			trans	-73.7	15.4	169.6	63.3	0	0	0	0	111.6	E16 Y20	E16-S18 PolarHBondContact O-N 3.41Å; S18-Y20 PolarHBondContact O-N 3.18Å
19	G	77.1	Confident	67.2	Low	63 Å²	63	129.7 Å²	129.7	65%	0.649	72%	0.719	S	S	*	*			trans	-80.4	110.2	174	0	0	0	0	0	110.7	S17 Q21	S17-G19 PolarHBondContact O-N 3.26Å; S17-G19 VanDerWaalsContact O-N 3.09Å; G19-Q21 PolarHBondContact O-N 2.73Å
20	Y	84.6	Confident	69.9	Low	201 Å²	201	122.9 Å²	122.9	79%	0.788	71%	0.705	S	S	*	*			trans	-64.7	121	166.3	172	-99	0	0	0	109.9	S18 R22	S18-Y20 PolarHBondContact O-N 3.18Å; Y20-R22 HydrophobicContact CE1-CB 3.82Å
21	Q	87.6	Confident	72.7	Confident	161 Å²	161	120.7 Å²	120.7	75%	0.752	68%	0.677	S	S	*	*			trans	-113.5	117.5	175.1	-166.7	-179	2.9	0	0	110.7	G19 V23	G19-Q21 PolarHBondContact O-N 2.73Å; Q21-V23 HydrophobicContact CG-CG2 3.88Å
22	R	90.7	Very high	75.4	Confident	196 Å²	196	120.1 Å²	120.1	74%	0.74	66%	0.658	S	S	*	*			trans	-93.4	111.9	170.2	-176	178.7	176.8	-162.8	1	109.7	Y20 V24	Y20-R22 HydrophobicContact CE1-CB 3.82Å; R22-V24 HydrophobicContact CG-CG2 4.45Å
23	V	91.8	Very high	77.8	Confident	92 Å²	92	117 Å²	117	56%	0.558	63%	0.626	S	S	*	*			trans	-110.4	126.1	173.3	-173.8	0	0	0	0	109.2	Q21 L25	Q21-V23 HydrophobicContact CG-CG2 3.88Å; V23-L25 HydrophobicContact CG1-CD2 3.76Å; V23-L25 HydrophobicContact CG1-CG 4.1Å
24	V	91.2	Very high	80.4	Confident	100 Å²	100	108.3 Å²	108.3	61%	0.606	59%	0.585	S	S	*	*			trans	-113.3	117.1	174.1	-179.6	0	0	0	0	108	R22	R22-V24 HydrophobicContact CG-CG2 4.45Å
25	L	87.5	Confident	82.6	Confident	128 Å²	128	103.7 Å²	103.7	67%	0.67	56%	0.562	S	S	*	*			trans	-104.5	127.4	177.1	-53.5	173.5	0	0	0	109.7	V23 A28	V23-L25 HydrophobicContact CG1-CD2 3.76Å; V23-L25 HydrophobicContact CG1-CG 4.1Å; L25-A28 HydrophobicContact CB-CB 3.74Å; L25-A28 HydrophobicContact CD1-CB 4.04Å
26	K	84.4	Confident	84.8	Confident	191 Å²	191	99.8 Å²	99.8	83%	0.83	53%	0.529	S	S	*	.	S	Bend	trans	-97.9	125.9	175	-65.4	-178.8	-179.9	179.3	0	108.9	A28	K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 3.39Å
27	N	80.8	Confident	86.6	Confident	166 Å²	166	97.3 Å²	97.3	89%	0.888	51%	0.513	S	S	*	.	S	Bend	trans	51.8	41.6	179	-63.7	-21.9	0	0	0	114.2	S29	N27-S29 PolarHBondContact O-N 2.62Å; N27-S29 VanDerWaalsContact O-N 3.12Å
28	A	81.3	Confident	87.9	Confident	63 Å²	63	91.8 Å²	91.8	52%	0.521	47%	0.474	S	S	.	.			trans	-66.1	-12.7	-177.1	0	0	0	0	0	114.7	L25 K26 P30	L25-A28 HydrophobicContact CB-CB 3.74Å; L25-A28 HydrophobicContact CD1-CB 4.04Å; K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 3.39Å; A28-P30 WeakPolarHBondContact O-CD 3.35Å
29	S	85.6	Confident	89.1	Confident	21 Å²	21	88.9 Å²	88.9	15%	0.147	45%	0.451	C	S	.	.			trans	-84.1	112.5	-178.4	-166.6	0	0	0	0	111.2	N27 H31 S91 P121	N27-S29 PolarHBondContact O-N 2.62Å; N27-S29 VanDerWaalsContact O-N 3.12Å; S29-H31 PolarHBondContact O-N 3.03Å; S29-H31 PolarHBondContact OG-O 2.7Å; S29-S91 PolarHBondContact O-OG 2.94Å; S29-P121 PolarHBondContact OG-O 2.8Å
30	P	90.3	Very high	89.6	Confident	85 Å²	85	86.7 Å²	86.7	55%	0.552	43%	0.425	S	S	*	.			trans	-74.9	-15.1	176.5	28.5	-31.2	0	0	0	112.8	A28 P90 S91	A28-P30 WeakPolarHBondContact O-CD 3.35Å; P30-P90 WeakPolarHBondContact O-CA 3.46Å; P30-S91 VanDerWaalsContact C-OG 3.24Å; P30-S91 PolarHBondContact O-N 3.39Å; P30-S91 PolarHBondContact O-OG 3.34Å; P30-S91 VanDerWaalsContact O-OG 3.12Å
31	H	93.4	Very high	89.6	Confident	58 Å²	58	84.4 Å²	84.4	27%	0.269	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.1	-174.2	-60.6	97.3	0	0	0	111.9	S29 R88 V89	S29-H31 PolarHBondContact O-N 3.03Å; S29-H31 PolarHBondContact OG-O 2.7Å; H31-R88 HydrophobicContact CB-CG 4.01Å; H31-V89 CarbonylContact C-O 3.34Å; H31-V89 WeakPolarHBondContact CA-O 3.26Å
32	H	94.3	Very high	89.4	Confident	44 Å²	44	79.4 Å²	79.4	20%	0.204	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.3	168.6	-73.5	67.6	0	0	0	109.3	R88 V89 S91 L94	H32-R88 WeakPolarHBondContact O-CA 3.28Å; H32-V89 HydrophobicContact CB-CG1 4.29Å; H32-V89 PolarHBondContact N-O 2.92Å; H32-V89 PolarHBondContact O-N 3.48Å; H32-S91 PolarHBondContact CE1-OG 3.01Å; H32-S91 WeakPolarHBondContact ND1-CB 3.42Å; H32-S91 PolarHBondContact ND1-OG 3.07Å; H32-L94 HydrophobicContact CB-CD1 4.05Å; H32-L94 HydrophobicContact CB-CD2 4.08Å; H32-L94 HydrophobicContact CB-CG 4.46Å
33	Y	94.3	Very high	88.4	Confident	36 Å²	36	79.5 Å²	79.5	14%	0.141	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.3	-178.9	-55.2	-86.1	0	0	0	109	L76 L87 R88 V119 S120 P121 L123	Y33-L76 HydrophobicContact CD1-CD1 3.66Å; Y33-L76 HydrophobicContact CE1-CD1 3.67Å; Y33-L87 CarbonylContact C-O 3.52Å; Y33-L87 VanDerWaalsContact CA-O 3.23Å; Y33-L87 WeakPolarHBondContact CA-O 3.29Å; Y33-R88 HydrophobicContact CD1-CB 4.02Å; Y33-R88 HydrophobicContact CD1-CG 4.19Å; Y33-R88 HydrophobicContact CE1-CB 4.03Å; Y33-R88 HydrophobicContact CE1-CG 3.82Å; Y33-V119 WeakPolarHBondContact O-CA 3.46Å; Y33-S120 WeakPolarHBondContact CB-O 3.15Å; Y33-S120 WeakPolarHBondContact CD2-O 3.49Å; Y33-S120 PolarHBondContact N-O 2.98Å; Y33-S120 PolarHBondContact O-N 3.05Å; Y33-P121 WeakPolarHBondContact CE2-O 3.46Å; Y33-L123 HydrophobicContact CD1-CD1 4.47Å; Y33-L123 HydrophobicContact CD1-CD2 3.42Å; Y33-L123 VanDerWaalsContact CD1-CD2 3.42Å; Y33-L123 HydrophobicContact CD1-CG 3.83Å; Y33-L123 HydrophobicContact CD2-CD2 4.25Å; Y33-L123 HydrophobicContact CD2-CG 4.16Å; Y33-L123 HydrophobicContact CE1-CD1 3.99Å; Y33-L123 HydrophobicContact CE1-CD2 3.8Å; Y33-L123 HydrophobicContact CE1-CG 3.71Å; Y33-L123 HydrophobicContact CE2-CG 4.08Å; Y33-L123 HydrophobicContact CG-CD2 3.66Å; Y33-L123 HydrophobicContact CG-CG 4.03Å
34	L	94.6	Very high	87.4	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.9	177.3	-59.5	78.8	0	0	0	109	V36 L86 L87 V89 L94 L97 Q118 V119	L34-V36 HydrophobicContact CB-CG1 4.02Å; L34-L86 WeakPolarHBondContact O-CA 3.38Å; L34-L87 PolarHBondContact N-O 2.82Å; L34-L87 PolarHBondContact O-N 2.95Å; L34-V89 HydrophobicContact CD1-CG1 3.64Å; L34-L94 HydrophobicContact CD1-CD1 3.4Å; L34-L94 VanDerWaalsContact CD1-CD1 3.4Å; L34-L94 HydrophobicContact CD2-CD1 3.79Å; L34-L94 HydrophobicContact CG-CD1 3.84Å; L34-L97 HydrophobicContact CD1-CD2 4.36Å; L34-Q118 WeakPolarHBondContact CA-O 3.46Å; L34-V119 HydrophobicContact CB-CG2 4.47Å; L34-V119 HydrophobicContact CD2-CG2 4.19Å; L34-V119 HydrophobicContact CG-CG1 4.16Å; L34-V119 HydrophobicContact CG-CG2 3.98Å
35	K	93.3	Very high	86.6	Confident	81 Å²	81	75.5 Å²	75.5	35%	0.352	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.1	164.2	-167.6	177.3	-179.2	177.7	0	107.6	T84 A85 L117 Q118 L126	K35-T84 HydrophobicContact CD-CG2 4.45Å; K35-T84 HydrophobicContact CG-CG2 3.88Å; K35-A85 WeakPolarHBondContact CA-O 3.29Å; K35-L117 HydrophobicContact CB-CB 4.36Å; K35-L117 HydrophobicContact CD-CB 4.43Å; K35-L117 HydrophobicContact CD-CD1 4.26Å; K35-L117 HydrophobicContact CG-CB 4.29Å; K35-L117 HydrophobicContact CG-CD1 4.19Å; K35-L117 PolarHBondContact O-N 3.12Å; K35-Q118 HydrophobicContact CB-CB 4.23Å; K35-Q118 PolarHBondContact N-O 3.12Å; K35-Q118 PolarHBondContact O-N 3.01Å; K35-L126 HydrophobicContact CB-CD2 4.06Å
36	V	93.4	Very high	86.3	Confident	2 Å²	2	80 Å²	80	1%	0.012	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.7	-179.3	-56.8	0	0	0	0	109.9	L34 T84 A85 L87 L101 F114 R115 V116	L34-V36 HydrophobicContact CB-CG1 4.02Å; V36-T84 CarbonylContact O-C 3.58Å; V36-T84 WeakPolarHBondContact O-CA 3.49Å; V36-T84 WeakPolarHBondContact O-CG2 3.34Å; V36-A85 HydrophobicContact CG2-CB 3.96Å; V36-A85 PolarHBondContact N-O 2.84Å; V36-A85 PolarHBondContact O-N 3.22Å; V36-L87 HydrophobicContact CG1-CD1 4.26Å; V36-L87 HydrophobicContact CG2-CD1 3.77Å; V36-L87 HydrophobicContact CG2-CG 4.02Å; V36-L101 HydrophobicContact CG1-CD1 4.32Å; V36-F114 HydrophobicContact CG2-CD1 4.48Å; V36-R115 CarbonylContact C-O 3.5Å; V36-R115 WeakPolarHBondContact CA-O 3.09Å; V36-V116 HydrophobicContact CG1-CG2 4.13Å
37	R	92.4	Very high	86.3	Confident	123 Å²	123	71 Å²	71	46%	0.464	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.8	172.3	-177.2	176.2	-178.6	-168.2	-3.3	108.7	T82 L83 R115 L117	R37-T82 PolarHBondContact NE-O 3.45Å; R37-L83 WeakPolarHBondContact CA-O 3.23Å; R37-R115 PolarHBondContact N-O 2.87Å; R37-R115 PolarHBondContact O-N 2.84Å; R37-L117 HydrophobicContact CB-CD1 4.06Å; R37-L117 HydrophobicContact CB-CD2 4.4Å; R37-L117 HydrophobicContact CB-CG 4.19Å
38	L	91.4	Very high	86.7	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.5	171.1	178.3	62.7	0	0	0	108.5	L40 V47 L52 F55 L83 C112 F114	L38-L40 HydrophobicContact CD1-CD2 4.25Å; L38-L40 HydrophobicContact CD2-CD1 4.25Å; L38-L40 HydrophobicContact CD2-CD2 4.14Å; L38-L40 HydrophobicContact CD2-CG 4.21Å; L38-L40 HydrophobicContact CG-CD2 4.12Å; L38-L40 HydrophobicContact CG-CG 4.07Å; L38-V47 HydrophobicContact CD2-CG2 4.09Å; L38-L52 HydrophobicContact CD2-CD1 4.22Å; L38-F55 HydrophobicContact CD1-CE1 4.15Å; L38-L83 HydrophobicContact CB-CB 4.2Å; L38-L83 PolarHBondContact N-O 3.29Å; L38-L83 WeakPolarHBondContact O-CB 3.48Å; L38-C112 HydrophobicContact CD1-CB 4.11Å; L38-F114 HydrophobicContact CB-CD1 4.39Å; L38-F114 HydrophobicContact CB-CE1 4.13Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å; L38-F114 HydrophobicContact CD1-CD2 4.33Å; L38-F114 HydrophobicContact CD1-CE1 3.91Å; L38-F114 HydrophobicContact CD1-CE2 4.08Å; L38-F114 HydrophobicContact CD1-CG 4.4Å; L38-F114 HydrophobicContact CD1-CZ 3.86Å; L38-F114 HydrophobicContact CG-CE1 4.5Å
39	V	90.4	Very high	87.1	Confident	51 Å²	51	63.9 Å²	63.9	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.9	173.6	-177.3	0	0	0	0	107	C112 A113 R115	V39-C112 CarbonylContact O-C 3.52Å; V39-C112 VanDerWaalsContact O-CA 3.29Å; V39-C112 WeakPolarHBondContact O-CA 3.41Å; V39-A113 PolarHBondContact N-O 2.84Å; V39-A113 PolarHBondContact O-N 3.03Å; V39-R115 HydrophobicContact CG2-CG 4.05Å
40	L	88.3	Confident	87.3	Confident	18 Å²	18	69 Å²	69	9%	0.094	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.9	175.2	-62.8	169.6	0	0	0	108.5	L38 D42 A45 V47 L83 C112	L38-L40 HydrophobicContact CD1-CD2 4.25Å; L38-L40 HydrophobicContact CD2-CD1 4.25Å; L38-L40 HydrophobicContact CD2-CD2 4.14Å; L38-L40 HydrophobicContact CD2-CG 4.21Å; L38-L40 HydrophobicContact CG-CD2 4.12Å; L38-L40 HydrophobicContact CG-CG 4.07Å; L40-D42 PolarHBondContact O-N 3.34Å; L40-A45 HydrophobicContact CD1-CB 3.68Å; L40-V47 HydrophobicContact CD1-CG2 3.68Å; L40-L83 HydrophobicContact CD1-CD1 3.87Å; L40-L83 HydrophobicContact CG-CD1 4.29Å; L40-C112 HydrophobicContact CD2-CB 3.63Å
41	E	85.6	Confident	87.4	Confident	152 Å²	152	68 Å²	68	71%	0.71	34%	0.335	S	S	*	.	S	Bend	trans	-63.3	-32.5	172.8	-174.3	176.6	-172.8	0	0	112.3	A111	E41-A111 HydrophobicContact CB-CB 4.42Å; E41-A111 PolarHBondContact N-O 3.23Å
42	D	82.4	Confident	87.3	Confident	57 Å²	57	65.3 Å²	65.3	31%	0.305	32%	0.323	S	S	.	.			trans	-101.4	109.7	177.8	-176.4	-2.9	0	0	0	110	L40 S44 A45 R110	L40-D42 PolarHBondContact O-N 3.34Å; D42-S44 PolarHBondContact O-N 3.01Å; D42-S44 WeakPolarHBondContact OD1-CB 3.29Å; D42-S44 PolarHBondContact OD1-N 2.93Å; D42-S44 PolarHBondContact OD1-OG 2.91Å; D42-S44 PolarHBondContact OD2-OG 3.27Å; D42-A45 HydrophobicContact CB-CB 4.27Å; D42-A45 VanDerWaalsContact O-CB 3.28Å; D42-A45 WeakPolarHBondContact O-CB 3.18Å; D42-A45 PolarHBondContact O-N 3.41Å; D42-R110 IonicContact OD2-CZ 3.45Å; D42-R110 IonicContact OD2-NH1 3.14Å; D42-R110 PolarHBondContact OD2-NH1 2.8Å
43	E	70.6	Confident	87.2	Confident	198 Å²	198	68.2 Å²	68.2	93%	0.925	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.5	-179.5	-64.9	-169.9	151.9	0	0	113.2	A45	E43-A45 VanDerWaalsContact C-N 3.32Å
44	S	70.6	Confident	87.1	Confident	89 Å²	89	70.6 Å²	70.6	62%	0.622	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.2	176.7	73.8	0	0	0	0	113.3	D42 R46	D42-S44 PolarHBondContact O-N 3.01Å; D42-S44 WeakPolarHBondContact OD1-CB 3.29Å; D42-S44 PolarHBondContact OD1-N 2.93Å; D42-S44 PolarHBondContact OD1-OG 2.91Å; D42-S44 PolarHBondContact OD2-OG 3.27Å; S44-R46 PolarHBondContact O-N 3.39Å
45	A	74.6	Confident	87.1	Confident	19 Å²	19	70.9 Å²	70.9	16%	0.157	36%	0.355	C	S	.	.			trans	-71.4	104.9	-177.3	0	0	0	0	0	110.7	L40 D42 E43	L40-A45 HydrophobicContact CD1-CB 3.68Å; D42-A45 HydrophobicContact CB-CB 4.27Å; D42-A45 VanDerWaalsContact O-CB 3.28Å; D42-A45 WeakPolarHBondContact O-CB 3.18Å; D42-A45 PolarHBondContact O-N 3.41Å; E43-A45 VanDerWaalsContact C-N 3.32Å
46	R	79.4	Confident	87.1	Confident	222 Å²	222	67.1 Å²	67.1	84%	0.838	34%	0.339	S	S	*	.			trans	-83	123.2	170.8	-63.2	-172.7	-179.2	177.5	-0.8	109.2	S44	S44-R46 PolarHBondContact O-N 3.39Å
47	V	84.9	Confident	87.1	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.018	35%	0.352	C	S	.	.			trans	-106	125.8	171.8	178.9	0	0	0	0	106.6	L38 L40 D51 L52 Y78 L83 Y107	L38-V47 HydrophobicContact CD2-CG2 4.09Å; L40-V47 HydrophobicContact CD1-CG2 3.68Å; V47-D51 HydrophobicContact CG1-CB 3.8Å; V47-L52 HydrophobicContact CG1-CB 4.1Å; V47-Y78 WeakPolarHBondContact O-CE1 3.12Å; V47-Y78 VanDerWaalsContact O-CZ 3.26Å; V47-Y78 PolarHBondContact O-OH 2.86Å; V47-L83 HydrophobicContact CB-CD2 4.38Å; V47-Y107 HydrophobicContact CG2-CE1 4.08Å
48	S	89.3	Confident	87.2	Confident	36 Å²	36	65.8 Å²	65.8	25%	0.252	35%	0.346	S	S	.	.			trans	-75.6	163.1	176	75.9	0	0	0	0	111.2	I50 D51 L52	S48-I50 PolarHBondContact O-N 3.01Å; S48-I50 PolarHBondContact OG-N 3.13Å; S48-D51 WeakPolarHBondContact CB-OD2 3.47Å; S48-D51 PolarHBondContact N-OD2 2.83Å; S48-D51 PolarHBondContact O-N 2.9Å; S48-D51 PolarHBondContact OG-N 2.96Å; S48-D51 VanDerWaalsContact OG-N 3.11Å; S48-D51 PolarHBondContact OG-OD2 3.34Å; S48-L52 PolarHBondContact O-N 2.82Å
49	A	89.1	Confident	87.2	Confident	42 Å²	42	65.6 Å²	65.6	35%	0.347	35%	0.345	S	S	.	.	H	α-helix	trans	-56.9	-34.4	174	0	0	0	0	0	112.7	K53 Y78	A49-K53 PolarHBondContact O-N 2.8Å; A49-K53 VanDerWaalsContact O-N 3.07Å; A49-Y78 HydrophobicContact CB-CD1 3.68Å; A49-Y78 HydrophobicContact CB-CE1 4.41Å; A49-Y78 HydrophobicContact CB-CG 4.27Å
50	I	91.1	Very high	87.4	Confident	128 Å²	128	63.2 Å²	63.2	66%	0.656	33%	0.331	S	S	*	.	H	α-helix	trans	-70.5	-45	179.8	-59.3	173.2	0	0	0	109.9	S48 L52 K53 T54	S48-I50 PolarHBondContact O-N 3.01Å; S48-I50 PolarHBondContact OG-N 3.13Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-K53 PolarHBondContact O-N 2.81Å; I50-T54 WeakPolarHBondContact O-CB 3.48Å; I50-T54 PolarHBondContact O-N 2.93Å; I50-T54 PolarHBondContact O-OG1 2.6Å
51	D	91.4	Very high	87.8	Confident	65 Å²	65	68.2 Å²	68.2	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-42.6	178.1	-65.5	-42.5	0	0	0	111.1	V47 S48 K53 T54 F55	V47-D51 HydrophobicContact CG1-CB 3.8Å; S48-D51 WeakPolarHBondContact CB-OD2 3.47Å; S48-D51 PolarHBondContact N-OD2 2.83Å; S48-D51 PolarHBondContact O-N 2.9Å; S48-D51 PolarHBondContact OG-N 2.96Å; S48-D51 VanDerWaalsContact OG-N 3.11Å; S48-D51 PolarHBondContact OG-OD2 3.34Å; D51-K53 PolarHBondContact O-N 3.44Å; D51-T54 PolarHBondContact O-N 3.44Å; D51-F55 WeakPolarHBondContact O-CB 3.3Å; D51-F55 PolarHBondContact O-N 2.91Å
52	L	91.3	Very high	88.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.4	-176.9	73.4	0	0	0	111.2	L38 V47 S48 I50 T54 F55 I56 Y78 A85 F114	L38-L52 HydrophobicContact CD2-CD1 4.22Å; V47-L52 HydrophobicContact CG1-CB 4.1Å; S48-L52 PolarHBondContact O-N 2.82Å; I50-L52 VanDerWaalsContact C-N 3.34Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 2.92Å; L52-F55 WeakPolarHBondContact O-CB 3.44Å; L52-F55 PolarHBondContact O-N 3.36Å; L52-I56 HydrophobicContact CD1-CD1 4.43Å; L52-I56 HydrophobicContact CD2-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.48Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 3.36Å; L52-Y78 HydrophobicContact CD2-CD2 3.61Å; L52-Y78 HydrophobicContact CD2-CE2 3.64Å; L52-Y78 HydrophobicContact CD2-CG 4.37Å; L52-A85 HydrophobicContact CD2-CB 3.38Å; L52-F114 HydrophobicContact CD1-CE1 4.03Å; L52-F114 HydrophobicContact CD1-CZ 4.17Å
53	K	93.1	Very high	88.7	Confident	104 Å²	104	66.6 Å²	66.6	45%	0.452	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-44.3	178.5	-175.5	175.8	-178	177.2	0	111.5	A49 I50 D51 F55 I56 T57 V75	A49-K53 PolarHBondContact O-N 2.8Å; A49-K53 VanDerWaalsContact O-N 3.07Å; I50-K53 PolarHBondContact O-N 2.81Å; D51-K53 PolarHBondContact O-N 3.44Å; K53-F55 VanDerWaalsContact C-N 3.27Å; K53-F55 PolarHBondContact O-N 3.29Å; K53-I56 PolarHBondContact O-N 3.4Å; K53-T57 WeakPolarHBondContact O-CB 3.26Å; K53-T57 PolarHBondContact O-N 3.41Å; K53-T57 PolarHBondContact O-OG1 2.82Å; K53-V75 HydrophobicContact CB-CG2 4.21Å
54	T	92.9	Very high	89.8	Confident	86 Å²	86	60.8 Å²	60.8	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.4	-54.1	0	0	0	0	110.6	I50 D51 L52 T57 S58	I50-T54 WeakPolarHBondContact O-CB 3.48Å; I50-T54 PolarHBondContact O-N 2.93Å; I50-T54 PolarHBondContact O-OG1 2.6Å; D51-T54 PolarHBondContact O-N 3.44Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 2.92Å; T54-T57 WeakPolarHBondContact O-CB 3.33Å; T54-T57 PolarHBondContact O-N 2.87Å; T54-S58 PolarHBondContact O-N 2.8Å
55	F	92.7	Very high	90.9	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-46.1	178.2	-178.6	-144.7	0	0	0	112.5	L38 D51 L52 K53 T57 S58 C59 Q104 Y107 F114	L38-F55 HydrophobicContact CD1-CE1 4.15Å; D51-F55 WeakPolarHBondContact O-CB 3.3Å; D51-F55 PolarHBondContact O-N 2.91Å; L52-F55 WeakPolarHBondContact O-CB 3.44Å; L52-F55 PolarHBondContact O-N 3.36Å; K53-F55 VanDerWaalsContact C-N 3.27Å; K53-F55 PolarHBondContact O-N 3.29Å; F55-T57 PolarHBondContact O-N 3.33Å; F55-S58 PolarHBondContact O-N 3.32Å; F55-S58 VanDerWaalsContact O-N 3.1Å; F55-S58 PolarHBondContact O-OG 2.91Å; F55-C59 PolarHBondContact O-N 2.79Å; F55-C59 PolarHBondContact O-SG 3.11Å; F55-Q104 HydrophobicContact CE2-CG 3.61Å; F55-Q104 HydrophobicContact CZ-CG 3.47Å; F55-Q104 VanDerWaalsContact CZ-CG 3.47Å; F55-Y107 HydrophobicContact CB-CD2 4.13Å; F55-Y107 HydrophobicContact CB-CE2 3.8Å; F55-Y107 AromaticContact CD1-CD2 3.77Å; F55-Y107 HydrophobicContact CD1-CD2 3.77Å; F55-Y107 HydrophobicContact CD1-CE2 4.17Å; F55-Y107 HydrophobicContact CD1-CG 4.32Å; F55-Y107 AromaticContact CD2-CD2 3.38Å; F55-Y107 HydrophobicContact CD2-CD2 3.38Å; F55-Y107 AromaticContact CD2-CE2 3.88Å; F55-Y107 HydrophobicContact CD2-CE2 3.88Å; F55-Y107 HydrophobicContact CD2-CG 4.42Å; F55-Y107 AromaticContact CE1-CD2 3.92Å; F55-Y107 HydrophobicContact CE1-CD2 3.92Å; F55-Y107 HydrophobicContact CE1-CG 4.14Å; F55-Y107 AromaticContact CE2-CD2 3.57Å; F55-Y107 HydrophobicContact CE2-CD2 3.57Å; F55-Y107 HydrophobicContact CE2-CE2 4.5Å; F55-Y107 HydrophobicContact CE2-CG 4.26Å; F55-Y107 AromaticContact CG-CD2 3.49Å; F55-Y107 HydrophobicContact CG-CD2 3.49Å; F55-Y107 VanDerWaalsContact CG-CD2 3.49Å; F55-Y107 AromaticContact CG-CE2 3.7Å; F55-Y107 HydrophobicContact CG-CE2 3.7Å; F55-Y107 HydrophobicContact CG-CG 4.46Å; F55-Y107 AromaticContact CZ-CD2 3.84Å; F55-Y107 HydrophobicContact CZ-CD2 3.84Å; F55-Y107 HydrophobicContact CZ-CG 4.12Å; F55-F114 AromaticContact CD1-CE2 3.83Å; F55-F114 HydrophobicContact CD1-CE2 3.83Å; F55-F114 AromaticContact CD1-CZ 3.57Å; F55-F114 HydrophobicContact CD1-CZ 3.57Å; F55-F114 HydrophobicContact CE1-CD2 4.4Å; F55-F114 AromaticContact CE1-CE2 3.23Å; F55-F114 HydrophobicContact CE1-CE2 3.23Å; F55-F114 AromaticContact CE1-CZ 3.42Å; F55-F114 HydrophobicContact CE1-CZ 3.42Å; F55-F114 VanDerWaalsContact CE1-CZ 3.42Å; F55-F114 AromaticContact CZ-CE2 3.82Å; F55-F114 HydrophobicContact CZ-CE2 3.82Å; F55-F114 HydrophobicContact CZ-CZ 4.41Å
56	I	93.4	Very high	91.8	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-41.7	174.3	-66.5	164.1	0	0	0	110.3	L52 K53 S58 C59 L60 V73 V75 L87 L97 L101	L52-I56 HydrophobicContact CD1-CD1 4.43Å; L52-I56 HydrophobicContact CD2-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.48Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 3.36Å; K53-I56 PolarHBondContact O-N 3.4Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.76Å; I56-C59 WeakPolarHBondContact O-CB 3.49Å; I56-C59 PolarHBondContact O-N 3.21Å; I56-L60 HydrophobicContact CG2-CD1 4.37Å; I56-L60 PolarHBondContact O-N 3.43Å; I56-V73 HydrophobicContact CG2-CG1 4.27Å; I56-V75 HydrophobicContact CD1-CG2 4.46Å; I56-L87 HydrophobicContact CD1-CD1 3.81Å; I56-L87 HydrophobicContact CD1-CD2 3.61Å; I56-L87 HydrophobicContact CD1-CG 4.38Å; I56-L97 HydrophobicContact CG2-CD1 3.56Å; I56-L101 HydrophobicContact CG1-CD2 4.07Å; I56-L101 HydrophobicContact CG2-CD2 4.47Å
57	T	94.4	Very high	92.4	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-40	177.2	-52.8	0	0	0	0	111.3	K53 T54 F55 L60 R61 A69	K53-T57 WeakPolarHBondContact O-CB 3.26Å; K53-T57 PolarHBondContact O-N 3.41Å; K53-T57 PolarHBondContact O-OG1 2.82Å; T54-T57 WeakPolarHBondContact O-CB 3.33Å; T54-T57 PolarHBondContact O-N 2.87Å; F55-T57 PolarHBondContact O-N 3.33Å; T57-L60 PolarHBondContact O-N 3.49Å; T57-R61 WeakPolarHBondContact O-CB 3.43Å; T57-R61 PolarHBondContact O-N 3.14Å; T57-A69 HydrophobicContact CG2-CB 4.1Å
58	S	93.4	Very high	92.7	Very high	49 Å²	49	58.3 Å²	58.3	34%	0.343	33%	0.327	S	S	.	.	H	α-helix	trans	-69.2	-35.3	175.4	70.1	0	0	0	0	112.9	T54 F55 I56 R61 S62	T54-S58 PolarHBondContact O-N 2.8Å; F55-S58 PolarHBondContact O-N 3.32Å; F55-S58 VanDerWaalsContact O-N 3.1Å; F55-S58 PolarHBondContact O-OG 2.91Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.76Å; S58-R61 PolarHBondContact O-N 3.2Å; S58-S62 WeakPolarHBondContact O-CB 3.39Å; S58-S62 PolarHBondContact O-N 3.19Å
59	C	93.3	Very high	92.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-48	174.1	-60.9	0	0	0	0	110.5	F55 I56 R61 S62 L63 Q104	F55-C59 PolarHBondContact O-N 2.79Å; F55-C59 PolarHBondContact O-SG 3.11Å; I56-C59 WeakPolarHBondContact O-CB 3.49Å; I56-C59 PolarHBondContact O-N 3.21Å; C59-R61 VanDerWaalsContact C-N 3.35Å; C59-R61 PolarHBondContact O-N 3.2Å; C59-S62 PolarHBondContact O-N 2.6Å; C59-L63 PolarHBondContact O-N 3.37Å; C59-L63 VanDerWaalsContact O-N 3.15Å; C59-Q104 WeakPolarHBondContact SG-CG 3.44Å
60	L	94.4	Very high	93.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-42.8	176.4	-77.2	169.4	0	0	0	111.8	I56 T57 F64 L71 V73 L97 S100	I56-L60 HydrophobicContact CG2-CD1 4.37Å; I56-L60 PolarHBondContact O-N 3.43Å; T57-L60 PolarHBondContact O-N 3.49Å; L60-F64 HydrophobicContact CD2-CD2 4.28Å; L60-F64 WeakPolarHBondContact O-CB 3.35Å; L60-F64 PolarHBondContact O-N 3.27Å; L60-L71 HydrophobicContact CD1-CB 4.35Å; L60-L71 HydrophobicContact CD1-CD2 4.38Å; L60-L71 HydrophobicContact CD2-CD2 4.33Å; L60-V73 HydrophobicContact CD1-CG2 3.97Å; L60-L97 HydrophobicContact CD1-CD1 4.23Å; L60-L97 HydrophobicContact CG-CD1 4.42Å; L60-S100 WeakPolarHBondContact CD2-OG 3.35Å
61	R	94.9	Very high	93.2	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-45.9	174.3	-175.1	-178.9	-78.5	158.3	-3.4	111.7	T57 S58 C59 L63 G65 E66 A69	T57-R61 WeakPolarHBondContact O-CB 3.43Å; T57-R61 PolarHBondContact O-N 3.14Å; S58-R61 PolarHBondContact O-N 3.2Å; C59-R61 VanDerWaalsContact C-N 3.35Å; C59-R61 PolarHBondContact O-N 3.2Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 2.97Å; R61-G65 WeakPolarHBondContact CA-O 3.5Å; R61-G65 WeakPolarHBondContact O-CA 3.35Å; R61-G65 PolarHBondContact O-N 3.25Å; R61-E66 WeakPolarHBondContact CD-OE1 3.39Å; R61-E66 IonicContact CZ-OE1 3.65Å; R61-E66 IonicContact CZ-OE2 2.92Å; R61-E66 VanDerWaalsContact NE-CD 3.3Å; R61-E66 IonicContact NE-OE1 2.66Å; R61-E66 PolarHBondContact NE-OE1 3.38Å; R61-E66 IonicContact NE-OE2 2.94Å; R61-E66 PolarHBondContact NE-OE2 3.16Å; R61-E66 IonicContact NH2-OE1 3.97Å; R61-E66 IonicContact NH2-OE2 2.94Å; R61-E66 PolarHBondContact NH2-OE2 3.46Å; R61-E66 VanDerWaalsContact NH2-OE2 3.14Å; R61-A69 HydrophobicContact CB-CB 3.88Å; R61-A69 HydrophobicContact CG-CB 4.48Å
62	S	93.3	Very high	93.2	Very high	98 Å²	98	56.5 Å²	56.5	69%	0.685	32%	0.322	S	S	*	.	H	α-helix	trans	-66.4	-35.7	-175	-170.9	0	0	0	0	112.6	S58 C59	S58-S62 WeakPolarHBondContact O-CB 3.39Å; S58-S62 PolarHBondContact O-N 3.19Å; C59-S62 PolarHBondContact O-N 2.6Å
63	L	94.1	Very high	93.3	Very high	77 Å²	77	57.2 Å²	57.2	40%	0.403	33%	0.326	S	S	.	.	H	α-helix	trans	-93.2	-35.2	-176.3	-172.5	61.8	0	0	0	113.3	C59 R61 L103	C59-L63 PolarHBondContact O-N 3.37Å; C59-L63 VanDerWaalsContact O-N 3.15Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 2.97Å; L63-L103 HydrophobicContact CD1-CD1 3.98Å; L63-L103 HydrophobicContact CD2-CD1 3.77Å
64	F	93.4	Very high	93.3	Very high	77 Å²	77	54.7 Å²	54.7	34%	0.338	32%	0.318	S	S	.	.	H	α-helix	trans	-120.5	5.7	-172.6	-63.6	-74.8	0	0	0	114	L60 K96 S99	L60-F64 HydrophobicContact CD2-CD2 4.28Å; L60-F64 WeakPolarHBondContact O-CB 3.35Å; L60-F64 PolarHBondContact O-N 3.27Å; F64-K96 HydrophobicContact CD1-CD 4.49Å; F64-K96 HydrophobicContact CD1-CG 4.39Å; F64-K96 HydrophobicContact CD2-CB 4.07Å; F64-K96 HydrophobicContact CE1-CB 4.39Å; F64-K96 HydrophobicContact CE1-CG 4.01Å; F64-K96 HydrophobicContact CE2-CB 3.67Å; F64-K96 HydrophobicContact CE2-CG 4.21Å; F64-K96 WeakPolarHBondContact CE2-O 3.44Å; F64-K96 HydrophobicContact CZ-CB 3.85Å; F64-K96 HydrophobicContact CZ-CG 3.91Å; F64-S99 WeakPolarHBondContact CE2-OG 3.37Å; F64-S99 VanDerWaalsContact CZ-OG 3.26Å; F64-S99 WeakPolarHBondContact CZ-OG 3.42Å
65	G	94.4	Very high	93.4	Very high	33 Å²	33	52.4 Å²	52.4	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	71.8	-170.1	-177.9	0	0	0	0	0	113.7	R61 V67 G68 A69	R61-G65 WeakPolarHBondContact CA-O 3.5Å; R61-G65 WeakPolarHBondContact O-CA 3.35Å; R61-G65 PolarHBondContact O-N 3.25Å; G65-V67 PolarHBondContact O-N 3.04Å; G65-G68 WeakPolarHBondContact O-CA 3.35Å; G65-G68 PolarHBondContact O-N 2.83Å; G65-A69 PolarHBondContact O-N 2.81Å; G65-A69 VanDerWaalsContact O-N 3.13Å
66	E	94.1	Very high	93.4	Very high	118 Å²	118	55.6 Å²	55.6	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-59.7	-32.7	-178.4	-64	-56.2	150.5	0	0	113.1	R61 G68 A69 A70	R61-E66 WeakPolarHBondContact CD-OE1 3.39Å; R61-E66 IonicContact CZ-OE1 3.65Å; R61-E66 IonicContact CZ-OE2 2.92Å; R61-E66 VanDerWaalsContact NE-CD 3.3Å; R61-E66 IonicContact NE-OE1 2.66Å; R61-E66 PolarHBondContact NE-OE1 3.38Å; R61-E66 IonicContact NE-OE2 2.94Å; R61-E66 PolarHBondContact NE-OE2 3.16Å; R61-E66 IonicContact NH2-OE1 3.97Å; R61-E66 IonicContact NH2-OE2 2.94Å; R61-E66 PolarHBondContact NH2-OE2 3.46Å; R61-E66 VanDerWaalsContact NH2-OE2 3.14Å; E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 3.03Å; E66-A69 WeakPolarHBondContact O-CB 3.36Å; E66-A69 PolarHBondContact O-N 2.94Å; E66-A70 PolarHBondContact O-N 3.15Å; E66-A70 VanDerWaalsContact O-N 3.07Å
67	V	92.4	Very high	93.4	Very high	126 Å²	126	62.6 Å²	62.6	76%	0.764	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-35.7	176	-177.2	0	0	0	0	111.2	G65	G65-V67 PolarHBondContact O-N 3.04Å
68	G	90.1	Very high	93.3	Very high	4 Å²	4	62.1 Å²	62.1	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-40.5	173.7	0	0	0	0	0	112.7	G65 E66 A70 L71	G65-G68 WeakPolarHBondContact O-CA 3.35Å; G65-G68 PolarHBondContact O-N 2.83Å; E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 3.03Å; G68-A70 PolarHBondContact O-N 3.35Å; G68-L71 WeakPolarHBondContact O-CB 3.32Å; G68-L71 PolarHBondContact O-N 2.97Å; G68-L71 VanDerWaalsContact O-N 3.08Å
69	A	92.9	Very high	93.2	Very high	15 Å²	15	62.5 Å²	62.5	12%	0.124	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-29.1	177.3	0	0	0	0	0	112.8	T57 R61 G65 E66 L71	T57-A69 HydrophobicContact CG2-CB 4.1Å; R61-A69 HydrophobicContact CB-CB 3.88Å; R61-A69 HydrophobicContact CG-CB 4.48Å; G65-A69 PolarHBondContact O-N 2.81Å; G65-A69 VanDerWaalsContact O-N 3.13Å; E66-A69 WeakPolarHBondContact O-CB 3.36Å; E66-A69 PolarHBondContact O-N 2.94Å; A69-L71 PolarHBondContact O-N 2.88Å
70	A	93.3	Very high	93	Very high	75 Å²	75	67.3 Å²	67.3	62%	0.62	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	0.7	174.6	0	0	0	0	0	114	E66 G68 N72	E66-A70 PolarHBondContact O-N 3.15Å; E66-A70 VanDerWaalsContact O-N 3.07Å; G68-A70 PolarHBondContact O-N 3.35Å; A70-N72 PolarHBondContact O-N 3.09Å
71	L	93.7	Very high	92.6	Very high	30 Å²	30	76.2 Å²	76.2	16%	0.157	41%	0.406	C	S	.	.	S	Bend	trans	-66	125.4	174.4	-177.2	67.1	0	0	0	110.1	L60 G68 A69 V73 V89	L60-L71 HydrophobicContact CD1-CB 4.35Å; L60-L71 HydrophobicContact CD1-CD2 4.38Å; L60-L71 HydrophobicContact CD2-CD2 4.33Å; G68-L71 WeakPolarHBondContact O-CB 3.32Å; G68-L71 PolarHBondContact O-N 2.97Å; G68-L71 VanDerWaalsContact O-N 3.08Å; A69-L71 PolarHBondContact O-N 2.88Å; L71-V73 HydrophobicContact CD2-CG2 4.03Å; L71-V73 HydrophobicContact CG-CG2 4.06Å; L71-V73 PolarHBondContact O-N 3.42Å; L71-V89 HydrophobicContact CD2-CG2 3.82Å; L71-V89 HydrophobicContact CG-CG2 4.32Å
72	N	92.1	Very high	92.3	Very high	112 Å²	112	73 Å²	73	60%	0.599	40%	0.4	S	S	*	.			trans	-66.2	98.6	175.8	-66.3	-33.5	0	0	0	110.6	A70 P90	A70-N72 PolarHBondContact O-N 3.09Å; N72-P90 WeakPolarHBondContact O-CD 3.42Å
73	V	93.4	Very high	92.1	Very high	17 Å²	17	69.4 Å²	69.4	10%	0.103	37%	0.373	C	S	.	.			trans	-115.4	124.2	172.7	-177.4	0	0	0	0	108.7	I56 L60 L71 L87 R88 V89 L97	I56-V73 HydrophobicContact CG2-CG1 4.27Å; L60-V73 HydrophobicContact CD1-CG2 3.97Å; L71-V73 HydrophobicContact CD2-CG2 4.03Å; L71-V73 HydrophobicContact CG-CG2 4.06Å; L71-V73 PolarHBondContact O-N 3.42Å; V73-L87 HydrophobicContact CG1-CB 4.49Å; V73-R88 WeakPolarHBondContact CA-O 3.2Å; V73-V89 HydrophobicContact CG2-CG2 4.22Å; V73-L97 HydrophobicContact CG1-CD1 4.37Å; V73-L97 HydrophobicContact CG1-CD2 3.94Å; V73-L97 HydrophobicContact CG2-CD1 4.24Å; V73-L97 HydrophobicContact CG2-CD2 4.21Å
74	D	93.6	Very high	92.1	Very high	51 Å²	51	66.7 Å²	66.7	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.5	179.4	-53.7	-57.6	0	0	0	110.5	L76 L87 R88	D74-L76 HydrophobicContact CB-CD2 4.4Å; D74-L87 CarbonylContact O-C 3.55Å; D74-L87 WeakPolarHBondContact O-CA 3.46Å; D74-R88 HydrophobicContact CB-CB 4.29Å; D74-R88 PolarHBondContact N-O 3.12Å; D74-R88 PolarHBondContact O-N 2.85Å; D74-R88 IonicContact OD2-CZ 3.68Å; D74-R88 IonicContact OD2-NE 3.21Å; D74-R88 PolarHBondContact OD2-NE 3.02Å; D74-R88 IonicContact OD2-NH2 2.73Å; D74-R88 PolarHBondContact OD2-NH2 3.47Å
75	V	94	Very high	92.1	Very high	39 Å²	39	63.1 Å²	63.1	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.2	169.5	-174.3	0	0	0	0	107.1	K53 I56 A85 L87	K53-V75 HydrophobicContact CB-CG2 4.21Å; I56-V75 HydrophobicContact CD1-CG2 4.46Å; V75-A85 HydrophobicContact CG1-CB 4.49Å; V75-L87 HydrophobicContact CB-CD2 4.34Å; V75-L87 HydrophobicContact CG1-CD2 4.38Å; V75-L87 HydrophobicContact CG2-CD2 3.76Å
76	L	93.3	Very high	92.1	Very high	72 Å²	72	63 Å²	63	38%	0.377	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-40.4	-176.5	-60.6	-177.5	0	0	0	112.6	Y33 D74 L86 R88 L123	Y33-L76 HydrophobicContact CD1-CD1 3.66Å; Y33-L76 HydrophobicContact CE1-CD1 3.67Å; D74-L76 HydrophobicContact CB-CD2 4.4Å; L76-L86 HydrophobicContact CB-CB 4.42Å; L76-L86 HydrophobicContact CB-CD2 4.14Å; L76-L86 HydrophobicContact CB-CG 4.15Å; L76-L86 HydrophobicContact CD1-CD2 4.18Å; L76-L86 HydrophobicContact CD1-CG 4.21Å; L76-L86 PolarHBondContact N-O 3.45Å; L76-R88 HydrophobicContact CD1-CB 4.07Å; L76-R88 HydrophobicContact CD2-CB 4.25Å; L76-R88 HydrophobicContact CG-CB 4.1Å; L76-L123 HydrophobicContact CD1-CD1 4.36Å; L76-L123 HydrophobicContact CD1-CD2 4.12Å
77	K	92.2	Very high	92.1	Very high	150 Å²	150	57.4 Å²	57.4	65%	0.652	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.7	178.9	-175.4	171.3	179.8	175.7	0	107.8	A85 L86	K77-A85 CarbonylContact O-C 3.53Å; K77-A85 WeakPolarHBondContact O-CA 3.41Å; K77-L86 HydrophobicContact CB-CB 4.06Å; K77-L86 HydrophobicContact CB-CD2 4.48Å; K77-L86 PolarHBondContact O-N 2.79Å
78	Y	93.4	Very high	92.2	Very high	38 Å²	38	55.2 Å²	55.2	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.9	174.2	-178.9	-122.2	0	0	0	109	V47 A49 L52 E80 L83 A85	V47-Y78 WeakPolarHBondContact O-CE1 3.12Å; V47-Y78 VanDerWaalsContact O-CZ 3.26Å; V47-Y78 PolarHBondContact O-OH 2.86Å; A49-Y78 HydrophobicContact CB-CD1 3.68Å; A49-Y78 HydrophobicContact CB-CE1 4.41Å; A49-Y78 HydrophobicContact CB-CG 4.27Å; L52-Y78 HydrophobicContact CD2-CD2 3.61Å; L52-Y78 HydrophobicContact CD2-CE2 3.64Å; L52-Y78 HydrophobicContact CD2-CG 4.37Å; Y78-E80 HydrophobicContact CD1-CG 3.82Å; Y78-E80 HydrophobicContact CE1-CB 4.39Å; Y78-E80 HydrophobicContact CE1-CG 3.35Å; Y78-L83 VanDerWaalsContact OH-CD2 3.29Å; Y78-L83 WeakPolarHBondContact OH-CD2 3.26Å; Y78-A85 HydrophobicContact CD2-CB 3.86Å
79	D	91.3	Very high	92.5	Very high	58 Å²	58	55 Å²	55	31%	0.31	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113	176.1	177.3	1.4	0	0	0	107.8	E81 T82 L83 T84	D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact OD1-N 2.79Å; D79-T82 PolarHBondContact OD1-N 3.47Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.49Å; D79-T82 PolarHBondContact OD2-OG1 3.33Å; D79-L83 CarbonylContact O-C 3.57Å; D79-L83 WeakPolarHBondContact O-CA 3.44Å; D79-L83 PolarHBondContact O-N 2.81Å; D79-T84 PolarHBondContact N-O 3.48Å; D79-T84 PolarHBondContact O-N 3.07Å; D79-T84 VanDerWaalsContact O-N 3.13Å
80	E	89.1	Confident	92.5	Very high	101 Å²	101	55.1 Å²	55.1	47%	0.472	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.8	-178.2	-75.3	179	-162.3	0	0	112.7	Y78	Y78-E80 HydrophobicContact CD1-CG 3.82Å; Y78-E80 HydrophobicContact CE1-CB 4.39Å; Y78-E80 HydrophobicContact CE1-CG 3.35Å
81	E	86.6	Confident	92.5	Very high	187 Å²	187	53.8 Å²	53.8	87%	0.874	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-44.4	-179.3	-62.7	-175.5	172.7	0	0	110.8	D79	D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact OD1-N 2.79Å
82	T	87.4	Confident	92.3	Very high	55 Å²	55	62.2 Å²	62.2	34%	0.337	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.2	-179.3	66.6	0	0	0	0	113.6	R37 D79 T84	R37-T82 PolarHBondContact NE-O 3.45Å; D79-T82 PolarHBondContact OD1-N 3.47Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.49Å; D79-T82 PolarHBondContact OD2-OG1 3.33Å; T82-T84 PolarHBondContact O-N 2.94Å; T82-T84 PolarHBondContact O-OG1 3.21Å; T82-T84 VanDerWaalsContact OG1-CB 3.29Å; T82-T84 WeakPolarHBondContact OG1-CB 3.49Å; T82-T84 PolarHBondContact OG1-OG1 2.91Å
83	L	90.4	Very high	92.3	Very high	22 Å²	22	56.9 Å²	56.9	12%	0.115	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.2	-170.3	-60.9	175.2	0	0	0	112.1	R37 L38 L40 V47 Y78 D79	R37-L83 WeakPolarHBondContact CA-O 3.23Å; L38-L83 HydrophobicContact CB-CB 4.2Å; L38-L83 PolarHBondContact N-O 3.29Å; L38-L83 WeakPolarHBondContact O-CB 3.48Å; L40-L83 HydrophobicContact CD1-CD1 3.87Å; L40-L83 HydrophobicContact CG-CD1 4.29Å; V47-L83 HydrophobicContact CB-CD2 4.38Å; Y78-L83 VanDerWaalsContact OH-CD2 3.29Å; Y78-L83 WeakPolarHBondContact OH-CD2 3.26Å; D79-L83 CarbonylContact O-C 3.57Å; D79-L83 WeakPolarHBondContact O-CA 3.44Å; D79-L83 PolarHBondContact O-N 2.81Å
84	T	92.2	Very high	92.2	Very high	21 Å²	21	57.3 Å²	57.3	13%	0.129	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.8	-178.4	-57	0	0	0	0	110.1	K35 V36 D79 T82 L117	K35-T84 HydrophobicContact CD-CG2 4.45Å; K35-T84 HydrophobicContact CG-CG2 3.88Å; V36-T84 CarbonylContact O-C 3.58Å; V36-T84 WeakPolarHBondContact O-CA 3.49Å; V36-T84 WeakPolarHBondContact O-CG2 3.34Å; D79-T84 PolarHBondContact N-O 3.48Å; D79-T84 PolarHBondContact O-N 3.07Å; D79-T84 VanDerWaalsContact O-N 3.13Å; T82-T84 PolarHBondContact O-N 2.94Å; T82-T84 PolarHBondContact O-OG1 3.21Å; T82-T84 VanDerWaalsContact OG1-CB 3.29Å; T82-T84 WeakPolarHBondContact OG1-CB 3.49Å; T82-T84 PolarHBondContact OG1-OG1 2.91Å; T84-L117 HydrophobicContact CG2-CD1 4.31Å
85	A	94	Very high	92.2	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.017	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.8	178.2	0	0	0	0	0	111.5	K35 V36 L52 V75 K77 Y78 L87	K35-A85 WeakPolarHBondContact CA-O 3.29Å; V36-A85 HydrophobicContact CG2-CB 3.96Å; V36-A85 PolarHBondContact N-O 2.84Å; V36-A85 PolarHBondContact O-N 3.22Å; L52-A85 HydrophobicContact CD2-CB 3.38Å; V75-A85 HydrophobicContact CG1-CB 4.49Å; K77-A85 CarbonylContact O-C 3.53Å; K77-A85 WeakPolarHBondContact O-CA 3.41Å; Y78-A85 HydrophobicContact CD2-CB 3.86Å; A85-L87 HydrophobicContact CB-CD2 4.15Å
86	L	94.3	Very high	92.2	Very high	30 Å²	30	63 Å²	63	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.9	170.3	-179.4	60.1	0	0	0	108.9	L34 L76 K77 L123 L126	L34-L86 WeakPolarHBondContact O-CA 3.38Å; L76-L86 HydrophobicContact CB-CB 4.42Å; L76-L86 HydrophobicContact CB-CD2 4.14Å; L76-L86 HydrophobicContact CB-CG 4.15Å; L76-L86 HydrophobicContact CD1-CD2 4.18Å; L76-L86 HydrophobicContact CD1-CG 4.21Å; L76-L86 PolarHBondContact N-O 3.45Å; K77-L86 HydrophobicContact CB-CB 4.06Å; K77-L86 HydrophobicContact CB-CD2 4.48Å; K77-L86 PolarHBondContact O-N 2.79Å; L86-L123 HydrophobicContact CD1-CD2 4.36Å; L86-L123 HydrophobicContact CD2-CD2 3.75Å; L86-L123 HydrophobicContact CG-CD2 4.41Å; L86-L126 HydrophobicContact CD1-CD2 3.18Å
87	L	94.9	Very high	92.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.1	-177.2	-53	-178.3	0	0	0	110.5	Y33 L34 V36 I56 V73 D74 V75 A85 L97 L101	Y33-L87 CarbonylContact C-O 3.52Å; Y33-L87 VanDerWaalsContact CA-O 3.23Å; Y33-L87 WeakPolarHBondContact CA-O 3.29Å; L34-L87 PolarHBondContact N-O 2.82Å; L34-L87 PolarHBondContact O-N 2.95Å; V36-L87 HydrophobicContact CG1-CD1 4.26Å; V36-L87 HydrophobicContact CG2-CD1 3.77Å; V36-L87 HydrophobicContact CG2-CG 4.02Å; I56-L87 HydrophobicContact CD1-CD1 3.81Å; I56-L87 HydrophobicContact CD1-CD2 3.61Å; I56-L87 HydrophobicContact CD1-CG 4.38Å; V73-L87 HydrophobicContact CG1-CB 4.49Å; D74-L87 CarbonylContact O-C 3.55Å; D74-L87 WeakPolarHBondContact O-CA 3.46Å; V75-L87 HydrophobicContact CB-CD2 4.34Å; V75-L87 HydrophobicContact CG1-CD2 4.38Å; V75-L87 HydrophobicContact CG2-CD2 3.76Å; A85-L87 HydrophobicContact CB-CD2 4.15Å; L87-L97 HydrophobicContact CB-CD2 4.47Å; L87-L97 HydrophobicContact CD1-CD2 4.2Å; L87-L101 HydrophobicContact CD1-CD1 4.06Å
88	R	95	Very high	92.4	Very high	81 Å²	81	57.6 Å²	57.6	31%	0.306	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.6	167.8	178.6	178	70.3	-179.8	1.8	109.2	H31 H32 Y33 V73 D74 L76	H31-R88 HydrophobicContact CB-CG 4.01Å; H32-R88 WeakPolarHBondContact O-CA 3.28Å; Y33-R88 HydrophobicContact CD1-CB 4.02Å; Y33-R88 HydrophobicContact CD1-CG 4.19Å; Y33-R88 HydrophobicContact CE1-CB 4.03Å; Y33-R88 HydrophobicContact CE1-CG 3.82Å; V73-R88 WeakPolarHBondContact CA-O 3.2Å; D74-R88 HydrophobicContact CB-CB 4.29Å; D74-R88 PolarHBondContact N-O 3.12Å; D74-R88 PolarHBondContact O-N 2.85Å; D74-R88 IonicContact OD2-CZ 3.68Å; D74-R88 IonicContact OD2-NE 3.21Å; D74-R88 PolarHBondContact OD2-NE 3.02Å; D74-R88 IonicContact OD2-NH2 2.73Å; D74-R88 PolarHBondContact OD2-NH2 3.47Å; L76-R88 HydrophobicContact CD1-CB 4.07Å; L76-R88 HydrophobicContact CD2-CB 4.25Å; L76-R88 HydrophobicContact CG-CB 4.1Å
89	V	95.3	Very high	92.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.4	176.9	65.7	0	0	0	0	110.2	H31 H32 L34 L71 V73 L94 L97	H31-V89 CarbonylContact C-O 3.34Å; H31-V89 WeakPolarHBondContact CA-O 3.26Å; H32-V89 HydrophobicContact CB-CG1 4.29Å; H32-V89 PolarHBondContact N-O 2.92Å; H32-V89 PolarHBondContact O-N 3.48Å; L34-V89 HydrophobicContact CD1-CG1 3.64Å; L71-V89 HydrophobicContact CD2-CG2 3.82Å; L71-V89 HydrophobicContact CG-CG2 4.32Å; V73-V89 HydrophobicContact CG2-CG2 4.22Å; V89-L94 HydrophobicContact CG1-CB 4.16Å; V89-L94 HydrophobicContact CG1-CD1 3.96Å; V89-L97 HydrophobicContact CB-CD2 3.89Å; V89-L97 HydrophobicContact CG1-CD2 4.12Å; V89-L97 HydrophobicContact CG2-CB 4.35Å; V89-L97 HydrophobicContact CG2-CD2 4.18Å
90	P	94.2	Very high	92.5	Very high	17 Å²	17	55 Å²	55	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	146.3	169	-26.3	34.2	0	0	0	111.2	P30 N72 R92 G93 L94	P30-P90 WeakPolarHBondContact O-CA 3.46Å; N72-P90 WeakPolarHBondContact O-CD 3.42Å; P90-R92 HydrophobicContact CB-CG 4.01Å; P90-R92 PolarHBondContact O-N 2.72Å; P90-G93 WeakPolarHBondContact O-CA 3.44Å; P90-G93 PolarHBondContact O-N 3.43Å; P90-L94 PolarHBondContact O-N 3.19Å
91	S	91.3	Very high	92.7	Very high	47 Å²	47	50.1 Å²	50.1	33%	0.329	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-53.8	-34.7	-178	-55.3	0	0	0	0	113.2	S29 P30 H32 G93	S29-S91 PolarHBondContact O-OG 2.94Å; P30-S91 VanDerWaalsContact C-OG 3.24Å; P30-S91 PolarHBondContact O-N 3.39Å; P30-S91 PolarHBondContact O-OG 3.34Å; P30-S91 VanDerWaalsContact O-OG 3.12Å; H32-S91 PolarHBondContact CE1-OG 3.01Å; H32-S91 WeakPolarHBondContact ND1-CB 3.42Å; H32-S91 PolarHBondContact ND1-OG 3.07Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.42Å
92	R	90.8	Very high	92.9	Very high	206 Å²	206	45.4 Å²	45.4	78%	0.777	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-66.3	-21.9	174.9	65.5	-179.2	-179.6	-149.4	1	115.1	P90	P90-R92 HydrophobicContact CB-CG 4.01Å; P90-R92 PolarHBondContact O-N 2.72Å
93	G	91.2	Very high	93.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-102.3	-8.4	-174.2	0	0	0	0	0	114.2	P90 S91 V95 K96 L97	P90-G93 WeakPolarHBondContact O-CA 3.44Å; P90-G93 PolarHBondContact O-N 3.43Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.42Å; G93-V95 PolarHBondContact O-N 3.15Å; G93-K96 PolarHBondContact O-N 3.27Å; G93-L97 PolarHBondContact O-N 3.16Å
94	L	92.6	Very high	92.9	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-54.8	-51.7	-175	176	62.8	0	0	0	112.5	H32 L34 V89 P90 K96 L97 W98 V119	H32-L94 HydrophobicContact CB-CD1 4.05Å; H32-L94 HydrophobicContact CB-CD2 4.08Å; H32-L94 HydrophobicContact CB-CG 4.46Å; L34-L94 HydrophobicContact CD1-CD1 3.4Å; L34-L94 VanDerWaalsContact CD1-CD1 3.4Å; L34-L94 HydrophobicContact CD2-CD1 3.79Å; L34-L94 HydrophobicContact CG-CD1 3.84Å; V89-L94 HydrophobicContact CG1-CB 4.16Å; V89-L94 HydrophobicContact CG1-CD1 3.96Å; P90-L94 PolarHBondContact O-N 3.19Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.25Å; L94-L97 PolarHBondContact O-N 3.07Å; L94-W98 WeakPolarHBondContact O-CB 3.48Å; L94-W98 PolarHBondContact O-N 2.94Å; L94-V119 HydrophobicContact CD1-CG1 4.13Å; L94-V119 HydrophobicContact CD2-CG1 4.36Å
95	V	93	Very high	92.5	Very high	114 Å²	114	50.1 Å²	50.1	69%	0.691	25%	0.254	S	S	*	.	H	α-helix	trans	-63.3	-41.2	-177.4	-178.6	0	0	0	0	110.8	G93 W98 S99	G93-V95 PolarHBondContact O-N 3.15Å; V95-W98 PolarHBondContact O-N 3.49Å; V95-S99 WeakPolarHBondContact O-CB 3.15Å; V95-S99 PolarHBondContact O-N 2.92Å; V95-S99 PolarHBondContact O-OG 3.46Å
96	K	94.4	Very high	92.1	Very high	97 Å²	97	56.6 Å²	56.6	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-47.4	178.4	-62.7	-177.6	-179.5	-179.9	0	111.2	F64 G93 L94 S99 S100	F64-K96 HydrophobicContact CD1-CD 4.49Å; F64-K96 HydrophobicContact CD1-CG 4.39Å; F64-K96 HydrophobicContact CD2-CB 4.07Å; F64-K96 HydrophobicContact CE1-CB 4.39Å; F64-K96 HydrophobicContact CE1-CG 4.01Å; F64-K96 HydrophobicContact CE2-CB 3.67Å; F64-K96 HydrophobicContact CE2-CG 4.21Å; F64-K96 WeakPolarHBondContact CE2-O 3.44Å; F64-K96 HydrophobicContact CZ-CB 3.85Å; F64-K96 HydrophobicContact CZ-CG 3.91Å; G93-K96 PolarHBondContact O-N 3.27Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.25Å; K96-S99 PolarHBondContact O-OG 3.26Å; K96-S99 VanDerWaalsContact O-OG 3.12Å; K96-S100 WeakPolarHBondContact O-CB 3.48Å; K96-S100 PolarHBondContact O-N 2.88Å; K96-S100 VanDerWaalsContact O-N 3.07Å; K96-S100 PolarHBondContact O-OG 3.32Å
97	L	94.3	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-51.8	177	178.8	60.8	0	0	0	110.5	L34 I56 L60 V73 L87 V89 G93 L94 S99 S100 L101	L34-L97 HydrophobicContact CD1-CD2 4.36Å; I56-L97 HydrophobicContact CG2-CD1 3.56Å; L60-L97 HydrophobicContact CD1-CD1 4.23Å; L60-L97 HydrophobicContact CG-CD1 4.42Å; V73-L97 HydrophobicContact CG1-CD1 4.37Å; V73-L97 HydrophobicContact CG1-CD2 3.94Å; V73-L97 HydrophobicContact CG2-CD1 4.24Å; V73-L97 HydrophobicContact CG2-CD2 4.21Å; L87-L97 HydrophobicContact CB-CD2 4.47Å; L87-L97 HydrophobicContact CD1-CD2 4.2Å; V89-L97 HydrophobicContact CB-CD2 3.89Å; V89-L97 HydrophobicContact CG1-CD2 4.12Å; V89-L97 HydrophobicContact CG2-CB 4.35Å; V89-L97 HydrophobicContact CG2-CD2 4.18Å; G93-L97 PolarHBondContact O-N 3.16Å; L94-L97 PolarHBondContact O-N 3.07Å; L97-S99 PolarHBondContact O-N 3.05Å; L97-S100 PolarHBondContact O-N 3.47Å; L97-S100 PolarHBondContact O-OG 2.79Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CG 4.09Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 HydrophobicContact CG-CG 4.49Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 3.1Å
98	W	94.1	Very high	91	Very high	108 Å²	108	63.3 Å²	63.3	41%	0.409	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-49.7	-177.3	-166.5	-10.6	0	0	0	112.1	L94 V95 S100 L101 T102 V116 V119	L94-W98 WeakPolarHBondContact O-CB 3.48Å; L94-W98 PolarHBondContact O-N 2.94Å; V95-W98 PolarHBondContact O-N 3.49Å; W98-S100 VanDerWaalsContact C-N 3.26Å; W98-S100 PolarHBondContact O-N 2.83Å; W98-L101 PolarHBondContact O-N 2.79Å; W98-L101 VanDerWaalsContact O-N 3.15Å; W98-T102 VanDerWaalsContact CD1-OG1 3.24Å; W98-T102 PolarHBondContact NE1-OG1 2.92Å; W98-T102 PolarHBondContact O-N 3.31Å; W98-T102 PolarHBondContact O-OG1 2.88Å; W98-T102 VanDerWaalsContact O-OG1 3.14Å; W98-V116 HydrophobicContact CG-CG2 4.41Å; W98-V116 HydrophobicContact CZ2-CB 4.27Å; W98-V116 HydrophobicContact CZ2-CG1 4.18Å; W98-V116 HydrophobicContact CZ2-CG2 4.5Å; W98-V119 HydrophobicContact CE3-CG2 4.45Å; W98-V119 HydrophobicContact CH2-CG2 4.24Å; W98-V119 HydrophobicContact CZ3-CG2 4.04Å
99	S	94.3	Very high	90.4	Very high	38 Å²	38	67.2 Å²	67.2	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-38.1	179.4	60.9	0	0	0	0	112.3	F64 V95 K96 L97 L103	F64-S99 WeakPolarHBondContact CE2-OG 3.37Å; F64-S99 VanDerWaalsContact CZ-OG 3.26Å; F64-S99 WeakPolarHBondContact CZ-OG 3.42Å; V95-S99 WeakPolarHBondContact O-CB 3.15Å; V95-S99 PolarHBondContact O-N 2.92Å; V95-S99 PolarHBondContact O-OG 3.46Å; K96-S99 PolarHBondContact O-OG 3.26Å; K96-S99 VanDerWaalsContact O-OG 3.12Å; L97-S99 PolarHBondContact O-N 3.05Å; S99-L103 WeakPolarHBondContact O-CB 3.49Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.01Å; S99-L103 VanDerWaalsContact O-N 3.16Å
100	S	94.1	Very high	89.9	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-39.3	177.5	70.3	0	0	0	0	112.7	L60 K96 L97 W98 Q104	L60-S100 WeakPolarHBondContact CD2-OG 3.35Å; K96-S100 WeakPolarHBondContact O-CB 3.48Å; K96-S100 PolarHBondContact O-N 2.88Å; K96-S100 VanDerWaalsContact O-N 3.07Å; K96-S100 PolarHBondContact O-OG 3.32Å; L97-S100 PolarHBondContact O-N 3.47Å; L97-S100 PolarHBondContact O-OG 2.79Å; W98-S100 VanDerWaalsContact C-N 3.26Å; W98-S100 PolarHBondContact O-N 2.83Å; S100-Q104 PolarHBondContact O-N 2.77Å
101	L	93.1	Very high	89.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-70	-42.1	178.1	-66	174.3	0	0	0	111.9	V36 I56 L87 L97 W98 L103 Q104 F114	V36-L101 HydrophobicContact CG1-CD1 4.32Å; I56-L101 HydrophobicContact CG1-CD2 4.07Å; I56-L101 HydrophobicContact CG2-CD2 4.47Å; L87-L101 HydrophobicContact CD1-CD1 4.06Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CG 4.09Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 HydrophobicContact CG-CG 4.49Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 3.1Å; W98-L101 PolarHBondContact O-N 2.79Å; W98-L101 VanDerWaalsContact O-N 3.15Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 2.92Å; L101-Q104 PolarHBondContact O-N 3.01Å; L101-F114 HydrophobicContact CB-CB 3.96Å; L101-F114 HydrophobicContact CB-CD2 4.13Å; L101-F114 HydrophobicContact CB-CG 4.05Å; L101-F114 HydrophobicContact CD2-CD1 4.15Å; L101-F114 HydrophobicContact CD2-CD2 3.81Å; L101-F114 HydrophobicContact CD2-CE1 4.08Å; L101-F114 HydrophobicContact CD2-CE2 3.71Å; L101-F114 HydrophobicContact CD2-CG 4.01Å; L101-F114 HydrophobicContact CD2-CZ 3.85Å
102	T	90.9	Very high	89.5	Confident	88 Å²	88	71.7 Å²	71.7	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-35.3	-179.8	-57.2	0	0	0	0	112.2	W98	W98-T102 VanDerWaalsContact CD1-OG1 3.24Å; W98-T102 PolarHBondContact NE1-OG1 2.92Å; W98-T102 PolarHBondContact O-N 3.31Å; W98-T102 PolarHBondContact O-OG1 2.88Å; W98-T102 VanDerWaalsContact O-OG1 3.14Å
103	L	90.2	Very high	89.5	Confident	125 Å²	125	64 Å²	64	65%	0.654	34%	0.336	S	S	*	.	H	α-helix	trans	-83.2	-14.6	-179.2	-73.4	168.2	0	0	0	113.4	L63 S99 L101 G105	L63-L103 HydrophobicContact CD1-CD1 3.98Å; L63-L103 HydrophobicContact CD2-CD1 3.77Å; S99-L103 WeakPolarHBondContact O-CB 3.49Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.01Å; S99-L103 VanDerWaalsContact O-N 3.16Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 2.92Å; L103-G105 PolarHBondContact O-N 3.27Å
104	Q	87.1	Confident	89.6	Confident	42 Å²	42	64.8 Å²	64.8	20%	0.196	34%	0.339	C	S	.	.			trans	-75.3	109.6	179.5	-168.8	70.6	23.3	0	0	110.8	F55 C59 S100 L101 F106	F55-Q104 HydrophobicContact CE2-CG 3.61Å; F55-Q104 HydrophobicContact CZ-CG 3.47Å; F55-Q104 VanDerWaalsContact CZ-CG 3.47Å; C59-Q104 WeakPolarHBondContact SG-CG 3.44Å; S100-Q104 PolarHBondContact O-N 2.77Å; L101-Q104 PolarHBondContact O-N 3.01Å; Q104-F106 PolarHBondContact NE2-O 3.42Å
105	G	84.5	Confident	89.5	Confident	30 Å²	30	71.2 Å²	71.2	31%	0.309	36%	0.362	S	S	.	.			trans	-101.7	-9	-179.2	0	0	0	0	0	115.5	L103 A111 C112	L103-G105 PolarHBondContact O-N 3.27Å; G105-A111 WeakPolarHBondContact O-CA 3.41Å; G105-C112 CarbonylContact C-O 3.57Å; G105-C112 WeakPolarHBondContact CA-O 3.48Å; G105-C112 PolarHBondContact O-N 3.36Å
106	F	85.1	Confident	89.5	Confident	137 Å²	137	67.6 Å²	67.6	60%	0.601	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.4	-173	-62.6	-82.3	0	0	0	113.2	Q104 R110 C112	Q104-F106 PolarHBondContact NE2-O 3.42Å; F106-R110 VanDerWaalsContact CA-O 3.3Å; F106-R110 WeakPolarHBondContact CA-O 3.46Å; F106-C112 PolarHBondContact N-SG 3.43Å; F106-C112 VanDerWaalsContact N-SG 3.44Å
107	Y	83.3	Confident	89.3	Confident	34 Å²	34	65 Å²	65	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.7	170.6	-179.2	-111.4	0	0	0	109.3	V47 F55 N109 R110	V47-Y107 HydrophobicContact CG2-CE1 4.08Å; F55-Y107 HydrophobicContact CB-CD2 4.13Å; F55-Y107 HydrophobicContact CB-CE2 3.8Å; F55-Y107 AromaticContact CD1-CD2 3.77Å; F55-Y107 HydrophobicContact CD1-CD2 3.77Å; F55-Y107 HydrophobicContact CD1-CE2 4.17Å; F55-Y107 HydrophobicContact CD1-CG 4.32Å; F55-Y107 AromaticContact CD2-CD2 3.38Å; F55-Y107 HydrophobicContact CD2-CD2 3.38Å; F55-Y107 AromaticContact CD2-CE2 3.88Å; F55-Y107 HydrophobicContact CD2-CE2 3.88Å; F55-Y107 HydrophobicContact CD2-CG 4.42Å; F55-Y107 AromaticContact CE1-CD2 3.92Å; F55-Y107 HydrophobicContact CE1-CD2 3.92Å; F55-Y107 HydrophobicContact CE1-CG 4.14Å; F55-Y107 AromaticContact CE2-CD2 3.57Å; F55-Y107 HydrophobicContact CE2-CD2 3.57Å; F55-Y107 HydrophobicContact CE2-CE2 4.5Å; F55-Y107 HydrophobicContact CE2-CG 4.26Å; F55-Y107 AromaticContact CG-CD2 3.49Å; F55-Y107 HydrophobicContact CG-CD2 3.49Å; F55-Y107 VanDerWaalsContact CG-CD2 3.49Å; F55-Y107 AromaticContact CG-CE2 3.7Å; F55-Y107 HydrophobicContact CG-CE2 3.7Å; F55-Y107 HydrophobicContact CG-CG 4.46Å; F55-Y107 AromaticContact CZ-CD2 3.84Å; F55-Y107 HydrophobicContact CZ-CD2 3.84Å; F55-Y107 HydrophobicContact CZ-CG 4.12Å; Y107-N109 VanDerWaalsContact C-N 3.27Å; Y107-N109 PolarHBondContact O-N 2.66Å; Y107-R110 PolarHBondContact N-O 3.33Å; Y107-R110 WeakPolarHBondContact O-CB 3.47Å; Y107-R110 PolarHBondContact O-N 2.94Å
108	Q	81.5	Confident	89.1	Confident	138 Å²	138	66.1 Å²	66.1	65%	0.645	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	45.1	-178.4	-57.2	-172.8	23.5	0	0	114	R110	Q108-R110 PolarHBondContact O-N 2.7Å
109	N	82.4	Confident	89	Confident	162 Å²	162	63.2 Å²	63.2	87%	0.866	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	19	-178.1	-154.2	50.8	0	0	0	115.2	Y107	Y107-N109 VanDerWaalsContact C-N 3.27Å; Y107-N109 PolarHBondContact O-N 2.66Å
110	R	84.8	Confident	88.8	Confident	109 Å²	109	61.8 Å²	61.8	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.3	173.7	-56.7	177.8	-177.6	-154.7	-5.9	109.9	D42 F106 Y107 Q108 C112	D42-R110 IonicContact OD2-CZ 3.45Å; D42-R110 IonicContact OD2-NH1 3.14Å; D42-R110 PolarHBondContact OD2-NH1 2.8Å; F106-R110 VanDerWaalsContact CA-O 3.3Å; F106-R110 WeakPolarHBondContact CA-O 3.46Å; Y107-R110 PolarHBondContact N-O 3.33Å; Y107-R110 WeakPolarHBondContact O-CB 3.47Å; Y107-R110 PolarHBondContact O-N 2.94Å; Q108-R110 PolarHBondContact O-N 2.7Å; R110-C112 PolarHBondContact O-N 2.91Å
111	A	87.9	Confident	88.7	Confident	40 Å²	40	63.9 Å²	63.9	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.8	175.6	0	0	0	0	0	110.1	E41 G105	E41-A111 HydrophobicContact CB-CB 4.42Å; E41-A111 PolarHBondContact N-O 3.23Å; G105-A111 WeakPolarHBondContact O-CA 3.41Å
112	C	89.8	Confident	88.5	Confident	9 Å²	9	69.7 Å²	69.7	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.1	175.9	73	0	0	0	0	111.1	L38 V39 L40 G105 F106 R110	L38-C112 HydrophobicContact CD1-CB 4.11Å; V39-C112 CarbonylContact O-C 3.52Å; V39-C112 VanDerWaalsContact O-CA 3.29Å; V39-C112 WeakPolarHBondContact O-CA 3.41Å; L40-C112 HydrophobicContact CD2-CB 3.63Å; G105-C112 CarbonylContact C-O 3.57Å; G105-C112 WeakPolarHBondContact CA-O 3.48Å; G105-C112 PolarHBondContact O-N 3.36Å; F106-C112 PolarHBondContact N-SG 3.43Å; F106-C112 VanDerWaalsContact N-SG 3.44Å; R110-C112 PolarHBondContact O-N 2.91Å
113	A	91.4	Very high	88.3	Confident	45 Å²	45	68.8 Å²	68.8	37%	0.372	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.5	172.7	0	0	0	0	0	110.6	V39	V39-A113 PolarHBondContact N-O 2.84Å; V39-A113 PolarHBondContact O-N 3.03Å
114	F	92.1	Very high	88.1	Confident	17 Å²	17	69.9 Å²	69.9	8%	0.075	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.4	167.7	-77.5	-81	0	0	0	110.5	V36 L38 L52 F55 L101	V36-F114 HydrophobicContact CG2-CD1 4.48Å; L38-F114 HydrophobicContact CB-CD1 4.39Å; L38-F114 HydrophobicContact CB-CE1 4.13Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å; L38-F114 HydrophobicContact CD1-CD2 4.33Å; L38-F114 HydrophobicContact CD1-CE1 3.91Å; L38-F114 HydrophobicContact CD1-CE2 4.08Å; L38-F114 HydrophobicContact CD1-CG 4.4Å; L38-F114 HydrophobicContact CD1-CZ 3.86Å; L38-F114 HydrophobicContact CG-CE1 4.5Å; L52-F114 HydrophobicContact CD1-CE1 4.03Å; L52-F114 HydrophobicContact CD1-CZ 4.17Å; F55-F114 AromaticContact CD1-CE2 3.83Å; F55-F114 HydrophobicContact CD1-CE2 3.83Å; F55-F114 AromaticContact CD1-CZ 3.57Å; F55-F114 HydrophobicContact CD1-CZ 3.57Å; F55-F114 HydrophobicContact CE1-CD2 4.4Å; F55-F114 AromaticContact CE1-CE2 3.23Å; F55-F114 HydrophobicContact CE1-CE2 3.23Å; F55-F114 AromaticContact CE1-CZ 3.42Å; F55-F114 HydrophobicContact CE1-CZ 3.42Å; F55-F114 VanDerWaalsContact CE1-CZ 3.42Å; F55-F114 AromaticContact CZ-CE2 3.82Å; F55-F114 HydrophobicContact CZ-CE2 3.82Å; F55-F114 HydrophobicContact CZ-CZ 4.41Å; L101-F114 HydrophobicContact CB-CB 3.96Å; L101-F114 HydrophobicContact CB-CD2 4.13Å; L101-F114 HydrophobicContact CB-CG 4.05Å; L101-F114 HydrophobicContact CD2-CD1 4.15Å; L101-F114 HydrophobicContact CD2-CD2 3.81Å; L101-F114 HydrophobicContact CD2-CE1 4.08Å; L101-F114 HydrophobicContact CD2-CE2 3.71Å; L101-F114 HydrophobicContact CD2-CG 4.01Å; L101-F114 HydrophobicContact CD2-CZ 3.85Å
115	R	91.5	Very high	87.9	Confident	160 Å²	160	70.3 Å²	70.3	60%	0.604	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	114	169.8	-67.1	-170	176.7	-159.8	0.5	109.5	V36 R37 V39 L117	V36-R115 CarbonylContact C-O 3.5Å; V36-R115 WeakPolarHBondContact CA-O 3.09Å; R37-R115 PolarHBondContact N-O 2.87Å; R37-R115 PolarHBondContact O-N 2.84Å; V39-R115 HydrophobicContact CG2-CG 4.05Å; R115-L117 PolarHBondContact O-N 3.27Å
116	V	92.1	Very high	87.8	Confident	39 Å²	39	69.6 Å²	69.6	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	116.1	171.3	-176.4	0	0	0	0	108.2	V36 W98 V119	V36-V116 HydrophobicContact CG1-CG2 4.13Å; W98-V116 HydrophobicContact CG-CG2 4.41Å; W98-V116 HydrophobicContact CZ2-CB 4.27Å; W98-V116 HydrophobicContact CZ2-CG1 4.18Å; W98-V116 HydrophobicContact CZ2-CG2 4.5Å; V116-V119 HydrophobicContact CG1-CG2 3.51Å
117	L	90.7	Very high	87.4	Confident	43 Å²	43	68.5 Å²	68.5	23%	0.225	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-44	-178.6	-61.1	-178.6	0	0	0	111.3	K35 R37 T84 R115	K35-L117 HydrophobicContact CB-CB 4.36Å; K35-L117 HydrophobicContact CD-CB 4.43Å; K35-L117 HydrophobicContact CD-CD1 4.26Å; K35-L117 HydrophobicContact CG-CB 4.29Å; K35-L117 HydrophobicContact CG-CD1 4.19Å; K35-L117 PolarHBondContact O-N 3.12Å; R37-L117 HydrophobicContact CB-CD1 4.06Å; R37-L117 HydrophobicContact CB-CD2 4.4Å; R37-L117 HydrophobicContact CB-CG 4.19Å; T84-L117 HydrophobicContact CG2-CD1 4.31Å; R115-L117 PolarHBondContact O-N 3.27Å
118	Q	89.9	Confident	86.6	Confident	22 Å²	22	68.7 Å²	68.7	10%	0.103	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.4	-175.2	-166	173	-13.5	0	0	110.5	L34 K35 A125 L126 G128 S130	L34-Q118 WeakPolarHBondContact CA-O 3.46Å; K35-Q118 HydrophobicContact CB-CB 4.23Å; K35-Q118 PolarHBondContact N-O 3.12Å; K35-Q118 PolarHBondContact O-N 3.01Å; Q118-A125 PolarHBondContact NE2-O 3.42Å; Q118-L126 HydrophobicContact CB-CD1 4.24Å; Q118-L126 HydrophobicContact CG-CD1 3.99Å; Q118-L126 HydrophobicContact CG-CG 4.28Å; Q118-G128 PolarHBondContact NE2-O 2.85Å; Q118-G128 PolarHBondContact OE1-O 2.8Å; Q118-S130 PolarHBondContact NE2-OG 2.99Å
119	V	92.1	Very high	85.8	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.285	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	176	-177	0	0	0	0	108.5	Y33 L34 L94 W98 V116	Y33-V119 WeakPolarHBondContact O-CA 3.46Å; L34-V119 HydrophobicContact CB-CG2 4.47Å; L34-V119 HydrophobicContact CD2-CG2 4.19Å; L34-V119 HydrophobicContact CG-CG1 4.16Å; L34-V119 HydrophobicContact CG-CG2 3.98Å; L94-V119 HydrophobicContact CD1-CG1 4.13Å; L94-V119 HydrophobicContact CD2-CG1 4.36Å; W98-V119 HydrophobicContact CE3-CG2 4.45Å; W98-V119 HydrophobicContact CH2-CG2 4.24Å; W98-V119 HydrophobicContact CZ3-CG2 4.04Å; V116-V119 HydrophobicContact CG1-CG2 3.51Å
120	S	91.4	Very high	84.8	Confident	9 Å²	9	61.8 Å²	61.8	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	145.3	178.4	173.3	0	0	0	0	111.3	Y33 F122 A125	Y33-S120 WeakPolarHBondContact CB-O 3.15Å; Y33-S120 WeakPolarHBondContact CD2-O 3.49Å; Y33-S120 PolarHBondContact N-O 2.98Å; Y33-S120 PolarHBondContact O-N 3.05Å; S120-F122 WeakPolarHBondContact CB-O 3.21Å; S120-F122 PolarHBondContact O-N 3.08Å; S120-F122 PolarHBondContact OG-N 3.36Å; S120-F122 PolarHBondContact OG-O 3.23Å; S120-A125 WeakPolarHBondContact OG-CB 3.47Å
121	P	90.6	Very high	83.8	Confident	45 Å²	45	64.5 Å²	64.5	29%	0.292	36%	0.357	S	S	.	.	S	Bend	trans	-71.7	-8.4	169.6	29.4	-33.5	0	0	0	113.7	S29 Y33	S29-P121 PolarHBondContact OG-O 2.8Å; Y33-P121 WeakPolarHBondContact CE2-O 3.46Å
122	F	89.2	Confident	82.5	Confident	122 Å²	122	66.3 Å²	66.3	54%	0.535	36%	0.361	S	S	.	.	S	Bend	trans	-133.8	136	-179.8	-56.4	-73.5	0	0	0	111.8	S120 L124 A125 L126	S120-F122 WeakPolarHBondContact CB-O 3.21Å; S120-F122 PolarHBondContact O-N 3.08Å; S120-F122 PolarHBondContact OG-N 3.36Å; S120-F122 PolarHBondContact OG-O 3.23Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.13Å; F122-A125 HydrophobicContact CB-CB 4.48Å; F122-A125 PolarHBondContact O-N 2.92Å; F122-L126 PolarHBondContact O-N 2.94Å
123	L	86.6	Confident	80.9	Confident	69 Å²	69	73.7 Å²	73.7	36%	0.361	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-38.7	176.4	-73.7	175.1	0	0	0	112.8	Y33 L76 L86 A125 L126 T127	Y33-L123 HydrophobicContact CD1-CD1 4.47Å; Y33-L123 HydrophobicContact CD1-CD2 3.42Å; Y33-L123 VanDerWaalsContact CD1-CD2 3.42Å; Y33-L123 HydrophobicContact CD1-CG 3.83Å; Y33-L123 HydrophobicContact CD2-CD2 4.25Å; Y33-L123 HydrophobicContact CD2-CG 4.16Å; Y33-L123 HydrophobicContact CE1-CD1 3.99Å; Y33-L123 HydrophobicContact CE1-CD2 3.8Å; Y33-L123 HydrophobicContact CE1-CG 3.71Å; Y33-L123 HydrophobicContact CE2-CG 4.08Å; Y33-L123 HydrophobicContact CG-CD2 3.66Å; Y33-L123 HydrophobicContact CG-CG 4.03Å; L76-L123 HydrophobicContact CD1-CD1 4.36Å; L76-L123 HydrophobicContact CD1-CD2 4.12Å; L86-L123 HydrophobicContact CD1-CD2 4.36Å; L86-L123 HydrophobicContact CD2-CD2 3.75Å; L86-L123 HydrophobicContact CG-CD2 4.41Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 2.92Å; L123-L126 CarbonylContact O-C 3.55Å; L123-L126 WeakPolarHBondContact O-CA 3.12Å; L123-L126 VanDerWaalsContact O-CB 3.26Å; L123-L126 WeakPolarHBondContact O-CB 3.09Å; L123-L126 PolarHBondContact O-N 3.3Å; L123-T127 PolarHBondContact O-N 3.26Å
124	L	86.3	Confident	79.2	Confident	148 Å²	148	79.3 Å²	79.3	78%	0.775	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-40.6	179.8	-177.3	65	0	0	0	112.5	F122 L126 T127	F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.13Å; L124-L126 PolarHBondContact O-N 3.35Å; L124-T127 PolarHBondContact O-N 3.14Å; L124-T127 PolarHBondContact O-OG1 3.09Å
125	A	83.9	Confident	77.5	Confident	52 Å²	52	85.7 Å²	85.7	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-70.9	-17.5	174.6	0	0	0	0	0	112.2	Q118 S120 F122 L123	Q118-A125 PolarHBondContact NE2-O 3.42Å; S120-A125 WeakPolarHBondContact OG-CB 3.47Å; F122-A125 HydrophobicContact CB-CB 4.48Å; F122-A125 PolarHBondContact O-N 2.92Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 2.92Å
126	L	82.3	Confident	75.5	Confident	14 Å²	14	88.8 Å²	88.8	7%	0.073	48%	0.481	C	S	.	.	H	α-helix	trans	-89.1	-18.8	178.1	-152.3	108.9	0	0	0	113.5	K35 L86 Q118 F122 L123 L124 G128	K35-L126 HydrophobicContact CB-CD2 4.06Å; L86-L126 HydrophobicContact CD1-CD2 3.18Å; Q118-L126 HydrophobicContact CB-CD1 4.24Å; Q118-L126 HydrophobicContact CG-CD1 3.99Å; Q118-L126 HydrophobicContact CG-CG 4.28Å; F122-L126 PolarHBondContact O-N 2.94Å; L123-L126 CarbonylContact O-C 3.55Å; L123-L126 WeakPolarHBondContact O-CA 3.12Å; L123-L126 VanDerWaalsContact O-CB 3.26Å; L123-L126 WeakPolarHBondContact O-CB 3.09Å; L123-L126 PolarHBondContact O-N 3.3Å; L124-L126 PolarHBondContact O-N 3.35Å; L126-G128 VanDerWaalsContact C-N 3.35Å
127	T	74.9	Confident	74.7	Confident	114 Å²	114	91.3 Å²	91.3	70%	0.699	49%	0.493	S	S	*	.	H	α-helix	trans	-77.2	-24.2	175	53.4	0	0	0	0	112.3	L123 L124	L123-T127 PolarHBondContact O-N 3.26Å; L124-T127 PolarHBondContact O-N 3.14Å; L124-T127 PolarHBondContact O-OG1 3.09Å
128	G	68.1	Low	73.9	Confident	38 Å²	38	93.8 Å²	93.8	39%	0.392	51%	0.507	S	S	.	.	S	Bend	trans	-74.7	138.8	168.2	0	0	0	0	0	110.8	Q118 L126 S130	Q118-G128 PolarHBondContact NE2-O 2.85Å; Q118-G128 PolarHBondContact OE1-O 2.8Å; L126-G128 VanDerWaalsContact C-N 3.35Å; G128-S130 PolarHBondContact O-N 3.42Å
129	N	64.9	Low	73	Confident	71 Å²	71	97.8 Å²	97.8	38%	0.38	53%	0.53	S	S	.	.			trans	-71	93.6	173.9	-167.8	-9.8	0	0	0	109.2	R131 D132	N129-R131 PolarHBondContact O-N 2.86Å; N129-R131 PolarHBondContact OD1-N 3.21Å; N129-D132 WeakPolarHBondContact CB-O 3.48Å; N129-D132 PolarHBondContact ND2-O 3.07Å; N129-D132 PolarHBondContact OD1-N 3.23Å
130	S	60.8	Low	71.9	Confident	84 Å²	84	100.8 Å²	100.8	59%	0.587	54%	0.544	S	S	*	.	S	Bend	trans	-72.2	-9.6	174.6	-63.4	0	0	0	0	112.9	Q118 G128	Q118-S130 PolarHBondContact NE2-OG 2.99Å; G128-S130 PolarHBondContact O-N 3.42Å
131	R	62.3	Low	70.6	Confident	166 Å²	166	106.6 Å²	106.6	63%	0.626	57%	0.574	S	S	*	*	S	Bend	trans	-100.4	-40.3	-172.2	-156	177.4	70.5	147.3	6.7	112.8	N129	N129-R131 PolarHBondContact O-N 2.86Å; N129-R131 PolarHBondContact OD1-N 3.21Å
132	D	60.8	Low	69.3	Low	78 Å²	78	110.7 Å²	110.7	42%	0.417	59%	0.593	S	S	.	*			trans	-128.9	99.8	175.2	-61.2	-68.2	0	0	0	108.3	N129 Q134	N129-D132 WeakPolarHBondContact CB-O 3.48Å; N129-D132 PolarHBondContact ND2-O 3.07Å; N129-D132 PolarHBondContact OD1-N 3.23Å; D132-Q134 PolarHBondContact O-N 3.49Å
133	L	57.1	Low	67.9	Low	165 Å²	165	109.9 Å²	109.9	86%	0.864	60%	0.597	S	S	*	*	S	Bend	trans	-74.4	-13.1	-176	-134.1	96.8	0	0	0	112.8
134	Q	55.7	Low	66.4	Low	162 Å²	162	113 Å²	113	76%	0.757	62%	0.615	S	S	*	*			trans	-133.6	137.1	170.8	-73.2	-176.1	-88.3	0	0	108.8	D132	D132-Q134 PolarHBondContact O-N 3.49Å
135	L	55.5	Low	64.8	Low	152 Å²	152	110.1 Å²	110.1	80%	0.796	60%	0.602	S	S	*	*			trans	-107.5	107	164.9	-71.5	160.1	0	0	0	105
136	D	51.2	Low	63.1	Low	225 Å²	225	115.4 Å²	115.4	100%	1.203	62%	0.618	S	S	*	*			trans	-71.1	0	167.4	-84.6	-66.3	0	0	0	110.9

Retrieved 136 of 136 residues in 26.6 ms (Link to these results)

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