A0A077YYA5_TRITR Loading...

UDP glucose pyrophosphatase

AlphaFold DB , UniProt , Accession A0A077YYA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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	39.7	Very low	55.6	Low	245 Å²	245	143.3 Å²	143.3	100%	1.207	82%	0.816	S	S	*	*				0	95.9	0	-153.9	-168.8	-154.8	0	0	106.3
2	A	44.2	Very low	58	Low	105 Å²	105	142.2 Å²	142.2	87%	0.868	80%	0.804	S	S	*	*			trans	-91	114	171.8	0	0	0	0	0	106.5	M4	A2-M4 PolarHBondContact O-N 3.32Å
3	Q	41.4	Very low	60.5	Low	153 Å²	153	137.5 Å²	137.5	72%	0.715	78%	0.776	S	S	*	*			trans	-83.8	101.8	176.7	-158.1	171.5	2.9	0	0	106.8	M5	Q3-M5 VanDerWaalsContact C-N 3.33Å; Q3-M5 HydrophobicContact CG-CE 4.24Å; Q3-M5 HydrophobicContact CG-CG 4.19Å; Q3-M5 PolarHBondContact O-N 3.43Å
4	M	48.4	Very low	62.7	Low	191 Å²	191	133.8 Å²	133.8	94%	0.941	76%	0.758	S	S	*	*			trans	-76.7	89.7	171.3	-124.6	175.5	93.4	0	0	107.7	A2 G6	A2-M4 PolarHBondContact O-N 3.32Å; M4-G6 PolarHBondContact O-N 3.25Å
5	M	42.6	Very low	64.7	Low	145 Å²	145	135.4 Å²	135.4	71%	0.714	76%	0.761	S	S	*	*			trans	-84.3	88.8	167.5	-70.2	-160.8	-176.9	0	0	108.5	Q3	Q3-M5 VanDerWaalsContact C-N 3.33Å; Q3-M5 HydrophobicContact CG-CE 4.24Å; Q3-M5 HydrophobicContact CG-CG 4.19Å; Q3-M5 PolarHBondContact O-N 3.43Å
6	G	54.5	Low	66.5	Low	48 Å²	48	135 Å²	135	50%	0.495	75%	0.749	S	S	.	*			trans	-116.5	61.5	172	0	0	0	0	0	111	M4 H8	M4-G6 PolarHBondContact O-N 3.25Å; G6-H8 PolarHBondContact O-N 3.46Å; G6-H8 VanDerWaalsContact O-N 3.1Å
7	N	53.5	Low	68	Low	166 Å²	166	134.5 Å²	134.5	89%	0.888	73%	0.734	S	S	*	*			trans	-81.5	67.9	161.8	-111.7	10.6	0	0	0	107.8
8	H	58.7	Low	69.4	Low	168 Å²	168	129.8 Å²	129.8	78%	0.778	71%	0.711	S	S	*	*			trans	-101.8	83.9	173.4	-66.5	-53.7	0	0	0	108.6	G6 G10	G6-H8 PolarHBondContact O-N 3.46Å; G6-H8 VanDerWaalsContact O-N 3.1Å; H8-G10 PolarHBondContact O-N 3.41Å
9	S	63.9	Low	70.6	Confident	133 Å²	133	129.5 Å²	129.5	93%	0.93	71%	0.707	S	S	*	*			trans	-83	33.9	165.2	63.6	0	0	0	0	111.5
10	G	78.5	Confident	71.7	Confident	52 Å²	52	127.1 Å²	127.1	54%	0.536	70%	0.7	S	S	.	*	S	Bend	trans	-109	150	178.6	0	0	0	0	0	110.6	H8 I12	H8-G10 PolarHBondContact O-N 3.41Å; G10-I12 PolarHBondContact O-N 3.34Å
11	D	86.4	Confident	72.6	Confident	170 Å²	170	126.7 Å²	126.7	91%	0.909	70%	0.696	S	S	*	*			trans	-54.6	137	171.3	-65.1	-35	0	0	0	110.1	D13	D11-D13 PolarHBondContact O-N 3.49Å
12	I	83.9	Confident	75.1	Confident	130 Å²	130	117.8 Å²	117.8	67%	0.667	67%	0.668	S	S	*	*			trans	-72	123.4	174.4	-63.2	170.8	0	0	0	107.7	G10 T14	G10-I12 PolarHBondContact O-N 3.34Å; I12-T14 HydrophobicContact CG2-CG2 4.47Å; I12-T14 PolarHBondContact O-N 3.04Å
13	D	90.2	Very high	77.6	Confident	82 Å²	82	116.5 Å²	116.5	44%	0.439	65%	0.645	S	S	.	*			trans	-69	93.8	170.8	-179.1	-9	0	0	0	109.6	D11 I15 K16 Y17	D11-D13 PolarHBondContact O-N 3.49Å; D13-I15 PolarHBondContact O-N 3.36Å; D13-I15 WeakPolarHBondContact OD1-CA 3.41Å; D13-I15 WeakPolarHBondContact OD1-CB 3.49Å; D13-I15 PolarHBondContact OD1-N 3.08Å; D13-K16 HydrophobicContact CB-CB 4.04Å; D13-K16 VanDerWaalsContact CG-CB 3.42Å; D13-K16 PolarHBondContact O-N 2.78Å; D13-K16 PolarHBondContact OD1-N 2.92Å; D13-K16 VanDerWaalsContact OD2-CB 3.27Å; D13-K16 WeakPolarHBondContact OD2-CB 3.38Å; D13-Y17 PolarHBondContact O-N 3.27Å
14	T	91.6	Very high	80.2	Confident	85 Å²	85	112.1 Å²	112.1	52%	0.521	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-9	179.9	55.2	0	0	0	0	113.5	I12 P18	I12-T14 HydrophobicContact CG2-CG2 4.47Å; I12-T14 PolarHBondContact O-N 3.04Å; T14-P18 WeakPolarHBondContact O-CA 3.37Å
15	I	92.7	Very high	82.6	Confident	158 Å²	158	106.5 Å²	106.5	81%	0.81	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-45.3	169.2	-58.3	177.7	0	0	0	108.8	D13	D13-I15 PolarHBondContact O-N 3.36Å; D13-I15 WeakPolarHBondContact OD1-CA 3.41Å; D13-I15 WeakPolarHBondContact OD1-CB 3.49Å; D13-I15 PolarHBondContact OD1-N 3.08Å
16	K	93.6	Very high	85.2	Confident	129 Å²	129	105.6 Å²	105.6	56%	0.561	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-37.4	176.9	-175.6	179.5	178.4	-165.1	0	112.9	D13 P18	D13-K16 HydrophobicContact CB-CB 4.04Å; D13-K16 VanDerWaalsContact CG-CB 3.42Å; D13-K16 PolarHBondContact O-N 2.78Å; D13-K16 PolarHBondContact OD1-N 2.92Å; D13-K16 VanDerWaalsContact OD2-CB 3.27Å; D13-K16 WeakPolarHBondContact OD2-CB 3.38Å; K16-P18 WeakPolarHBondContact O-CD 3.39Å
17	Y	92.5	Very high	87.2	Confident	127 Å²	127	106.6 Å²	106.6	50%	0.498	59%	0.585	S	S	.	*	S	Bend	trans	-121.7	75.5	-179.7	-56.7	-72.1	0	0	0	109.9	D13 L21	D13-Y17 PolarHBondContact O-N 3.27Å; Y17-L21 HydrophobicContact CD1-CD1 4.49Å
18	P	93.7	Very high	89.4	Confident	50 Å²	50	100.4 Å²	100.4	33%	0.325	55%	0.554	S	S	.	*			trans	-61.8	146	179	24.5	-32.8	0	0	0	111	T14 K16 S20 L21	T14-P18 WeakPolarHBondContact O-CA 3.37Å; K16-P18 WeakPolarHBondContact O-CD 3.39Å; P18-S20 PolarHBondContact O-N 3.06Å; P18-L21 HydrophobicContact CG-CD1 4.19Å; P18-L21 HydrophobicContact CG-CG 4.08Å; P18-L21 WeakPolarHBondContact O-CB 3.49Å; P18-L21 PolarHBondContact O-N 3.27Å
19	I	91.1	Very high	91.2	Very high	123 Å²	123	95.4 Å²	95.4	63%	0.631	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-53.3	-33	-178.3	-62.8	170.2	0	0	0	111.6	L21 G22 M23	I19-L21 PolarHBondContact O-N 3.49Å; I19-G22 PolarHBondContact O-N 2.8Å; I19-M23 HydrophobicContact CG2-SD 4.37Å
20	S	92.1	Very high	92.6	Very high	81 Å²	81	90.7 Å²	90.7	57%	0.566	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-55.2	-23.6	177.3	60	0	0	0	0	114.1	P18 G22 M23	P18-S20 PolarHBondContact O-N 3.06Å; S20-G22 VanDerWaalsContact C-N 3.27Å; S20-G22 PolarHBondContact O-N 3.34Å; S20-M23 PolarHBondContact O-N 3Å
21	L	92	Very high	93.4	Very high	119 Å²	119	94 Å²	94	62%	0.623	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-68.4	-25.4	175.1	-67.5	176.5	0	0	0	113.2	Y17 P18 I19	Y17-L21 HydrophobicContact CD1-CD1 4.49Å; P18-L21 HydrophobicContact CG-CD1 4.19Å; P18-L21 HydrophobicContact CG-CG 4.08Å; P18-L21 WeakPolarHBondContact O-CB 3.49Å; P18-L21 PolarHBondContact O-N 3.27Å; I19-L21 PolarHBondContact O-N 3.49Å
22	G	92.2	Very high	93.7	Very high	59 Å²	59	91.3 Å²	91.3	61%	0.608	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.6	176.8	0	0	0	0	0	113.9	I19 S20 T24	I19-G22 PolarHBondContact O-N 2.8Å; S20-G22 VanDerWaalsContact C-N 3.27Å; S20-G22 PolarHBondContact O-N 3.34Å; G22-T24 PolarHBondContact O-N 3.15Å; G22-T24 PolarHBondContact O-OG1 3.13Å
23	M	95.2	Very high	94.1	Very high	78 Å²	78	89.3 Å²	89.3	38%	0.384	49%	0.493	S	S	.	.			trans	-71.2	123.2	-177.4	-63	-58.1	-64.3	0	0	110.6	I19 S20 F101	I19-M23 HydrophobicContact CG2-SD 4.37Å; S20-M23 PolarHBondContact O-N 3Å; M23-F101 HydrophobicContact CE-CD1 3.93Å; M23-F101 HydrophobicContact CE-CE1 3.92Å; M23-F101 HydrophobicContact SD-CD1 3.84Å; M23-F101 HydrophobicContact SD-CE1 3.94Å
24	T	97.2	Very high	94.3	Very high	60 Å²	60	89.7 Å²	89.7	37%	0.368	49%	0.492	S	S	.	.			trans	-130.8	138.2	-176.8	-56.9	0	0	0	0	109.3	G22 E26 P122	G22-T24 PolarHBondContact O-N 3.15Å; G22-T24 PolarHBondContact O-OG1 3.13Å; T24-E26 HydrophobicContact CG2-CG 3.78Å; T24-P122 HydrophobicContact CG2-CB 4.26Å
25	Y	98	Very high	94.5	Very high	74 Å²	74	94.4 Å²	94.4	29%	0.29	51%	0.512	S	S	.	.			trans	-78.9	122.2	170.6	-66.3	-91.2	0	0	0	108.7	V105 F115 R121 P122 P124 L127	Y25-V105 HydrophobicContact CD1-CB 4.46Å; Y25-V105 HydrophobicContact CD1-CG1 4.46Å; Y25-V105 HydrophobicContact CD1-CG2 4.3Å; Y25-V105 HydrophobicContact CE1-CB 4.32Å; Y25-V105 HydrophobicContact CE1-CG1 4.04Å; Y25-V105 HydrophobicContact CE1-CG2 3.96Å; Y25-F115 HydrophobicContact CD1-CE2 4.02Å; Y25-F115 AromaticContact CD1-CZ 3.82Å; Y25-F115 HydrophobicContact CD1-CZ 3.82Å; Y25-F115 HydrophobicContact CD2-CE2 4.42Å; Y25-F115 HydrophobicContact CD2-CZ 4.4Å; Y25-F115 HydrophobicContact CE1-CE2 4.18Å; Y25-F115 HydrophobicContact CE1-CZ 4.43Å; Y25-F115 HydrophobicContact CG-CE2 4.15Å; Y25-F115 AromaticContact CG-CZ 3.8Å; Y25-F115 HydrophobicContact CG-CZ 3.8Å; Y25-R121 HydrophobicContact CD2-CB 3.91Å; Y25-R121 HydrophobicContact CE2-CB 3.7Å; Y25-R121 HydrophobicContact CE2-CG 3.86Å; Y25-R121 PolarHBondContact OH-NH1 2.87Å; Y25-P122 PolarHBondContact N-O 3.46Å; Y25-P124 WeakPolarHBondContact O-CD 3.48Å; Y25-L127 WeakPolarHBondContact O-CD2 3.36Å
26	E	97.3	Very high	94.6	Very high	125 Å²	125	90 Å²	90	58%	0.584	49%	0.489	S	S	*	.			trans	-133	167.1	-177.3	-53.4	-160.5	154.5	0	0	111.3	T24 P124	T24-E26 HydrophobicContact CG2-CG 3.78Å; E26-P124 HydrophobicContact CB-CG 4.36Å; E26-P124 HydrophobicContact CG-CG 3.91Å
27	L	97.8	Very high	94.7	Very high	69 Å²	69	85.9 Å²	85.9	36%	0.361	48%	0.476	S	S	.	.			trans	-77.1	149.6	165.9	-64.6	171.7	0	0	0	108.5	A29 Y78 S126 L127	L27-A29 PolarHBondContact O-N 3Å; L27-Y78 HydrophobicContact CD1-CD1 4.29Å; L27-Y78 HydrophobicContact CD1-CE1 4.39Å; L27-S126 WeakPolarHBondContact CD1-O 3.34Å; L27-L127 HydrophobicContact CD2-CD1 3.52Å; L27-L127 HydrophobicContact CG-CB 4.35Å; L27-L127 HydrophobicContact CG-CD1 3.9Å
28	C	97.8	Very high	94.8	Very high	37 Å²	37	81.8 Å²	81.8	25%	0.25	47%	0.465	C	S	.	.			trans	-53.2	127	165.8	170	0	0	0	0	109.8	E49 V50	C28-E49 WeakPolarHBondContact CA-OE2 3.38Å; C28-E49 WeakPolarHBondContact CB-OE2 3.48Å; C28-E49 PolarHBondContact SG-OE2 3.2Å; C28-V50 HydrophobicContact CB-CG1 4.11Å
29	A	96.4	Very high	95	Very high	62 Å²	62	82.5 Å²	82.5	51%	0.512	46%	0.464	S	S	.	.			trans	-163.3	130.7	-170.8	0	0	0	0	0	111.3	L27 E49	L27-A29 PolarHBondContact O-N 3Å; A29-E49 PolarHBondContact N-OE2 3.09Å; A29-E49 VanDerWaalsContact O-OE1 3.04Å
30	G	94.8	Very high	95.3	Very high	35 Å²	35	80.8 Å²	80.8	36%	0.361	45%	0.453	S	S	.	.			trans	-129.7	163.3	170.2	0	0	0	0	0	112.2
31	I	94	Very high	95.6	Very high	122 Å²	122	77.3 Å²	77.3	63%	0.626	43%	0.429	S	S	*	.			trans	-77.9	146.9	175.3	57.5	172.3	0	0	0	110.3	D33	I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 HydrophobicContact CD1-CB 3.92Å; I31-D33 HydrophobicContact CG1-CB 4.01Å; I31-D33 PolarHBondContact O-N 2.89Å; I31-D33 VanDerWaalsContact O-N 3.11Å
32	M	94.2	Very high	95.9	Very high	112 Å²	112	72.8 Å²	72.8	55%	0.552	41%	0.405	S	S	*	.			trans	-83.9	79.9	171.5	-66.7	177.5	65.2	0	0	109.6	P38 T41	M32-P38 HydrophobicContact CE-CB 4.3Å; M32-P38 HydrophobicContact CE-CG 3.71Å; M32-P38 HydrophobicContact SD-CB 4.29Å; M32-P38 HydrophobicContact SD-CG 4.11Å; M32-T41 HydrophobicContact CG-CG2 4.16Å
33	D	92.2	Very high	96.1	Very high	89 Å²	89	71.4 Å²	71.4	48%	0.476	38%	0.384	S	S	.	.			trans	-103.8	-4.5	-177.8	68.7	-24.7	0	0	0	113.8	I31	I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 HydrophobicContact CD1-CB 3.92Å; I31-D33 HydrophobicContact CG1-CB 4.01Å; I31-D33 PolarHBondContact O-N 2.89Å; I31-D33 VanDerWaalsContact O-N 3.11Å
34	Q	93.5	Very high	96.2	Very high	90 Å²	90	69.1 Å²	69.1	42%	0.421	37%	0.372	S	S	.	.	S	Bend	trans	-113.9	161.1	177.7	-63.8	177.4	11.4	0	0	111.6	M36	Q34-M36 VanDerWaalsContact C-N 3.26Å; Q34-M36 HydrophobicContact CB-CG 4.22Å; Q34-M36 HydrophobicContact CB-SD 4.13Å; Q34-M36 PolarHBondContact O-N 2.92Å; Q34-M36 PolarHBondContact OE1-SD 3.31Å
35	I	95.3	Very high	96.3	Very high	184 Å²	184	66.5 Å²	66.5	94%	0.944	36%	0.356	S	S	*	.	S	Bend	trans	-79.6	77.9	176.6	-52.9	178.1	0	0	0	108.9
36	M	95.2	Very high	96.3	Very high	65 Å²	65	63.6 Å²	63.6	32%	0.32	35%	0.345	S	S	.	.	S	Bend	trans	-140.6	156.8	-178.6	-63.8	177.2	67.3	0	0	110	Q34 E40 K44	Q34-M36 VanDerWaalsContact C-N 3.26Å; Q34-M36 HydrophobicContact CB-CG 4.22Å; Q34-M36 HydrophobicContact CB-SD 4.13Å; Q34-M36 PolarHBondContact O-N 2.92Å; Q34-M36 PolarHBondContact OE1-SD 3.31Å; M36-E40 HydrophobicContact CB-CB 4.17Å; M36-E40 HydrophobicContact CE-CB 3.6Å; M36-K44 HydrophobicContact SD-CD 4.46Å
37	S	95.7	Very high	96.3	Very high	42 Å²	42	63.5 Å²	63.5	29%	0.294	34%	0.34	S	S	.	.			trans	-67.6	155	169.4	62.3	0	0	0	0	111	E39 E40 T41	S37-E39 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact CB-OE2 3.4Å; S37-E40 PolarHBondContact N-OE2 3.13Å; S37-E40 PolarHBondContact O-N 3.42Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CB 3.37Å; S37-E40 WeakPolarHBondContact OG-CG 3.41Å; S37-E40 PolarHBondContact OG-N 3.24Å; S37-E40 PolarHBondContact OG-OE2 2.52Å; S37-T41 PolarHBondContact O-N 2.74Å; S37-T41 PolarHBondContact O-OG1 3.45Å
38	P	95.9	Very high	96.3	Very high	42 Å²	42	63 Å²	63	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-51.2	-37.8	174	-28.3	35.4	0	0	0	113.9	M32 M42 Y79	M32-P38 HydrophobicContact CE-CB 4.3Å; M32-P38 HydrophobicContact CE-CG 3.71Å; M32-P38 HydrophobicContact SD-CB 4.29Å; M32-P38 HydrophobicContact SD-CG 4.11Å; P38-M42 WeakPolarHBondContact O-CB 3.29Å; P38-M42 PolarHBondContact O-N 2.82Å; P38-Y79 VanDerWaalsContact CB-OH 3.25Å; P38-Y79 WeakPolarHBondContact CB-OH 3.13Å
39	E	97.4	Very high	96.3	Very high	65 Å²	65	61.9 Å²	61.9	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-44.7	178.3	-67.7	69	-153.7	0	0	112	S37 M42 V43 L56 L59 Y79	S37-E39 PolarHBondContact O-N 2.99Å; E39-M42 PolarHBondContact O-N 3.42Å; E39-V43 WeakPolarHBondContact O-CG2 3.38Å; E39-V43 PolarHBondContact O-N 3.42Å; E39-L56 HydrophobicContact CB-CD2 3.77Å; E39-L59 HydrophobicContact CB-CD1 4.13Å; E39-L59 WeakPolarHBondContact O-CD1 3.49Å; E39-Y79 VanDerWaalsContact CD-OH 3.31Å; E39-Y79 HydrophobicContact CG-CE1 4.02Å; E39-Y79 PolarHBondContact OE1-OH 3.48Å
40	E	97.6	Very high	96.3	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-40.9	177	-70.9	165.1	136.1	0	0	111.6	M36 S37 V43 K44 L56	M36-E40 HydrophobicContact CB-CB 4.17Å; M36-E40 HydrophobicContact CE-CB 3.6Å; S37-E40 WeakPolarHBondContact CB-OE2 3.4Å; S37-E40 PolarHBondContact N-OE2 3.13Å; S37-E40 PolarHBondContact O-N 3.42Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CB 3.37Å; S37-E40 WeakPolarHBondContact OG-CG 3.41Å; S37-E40 PolarHBondContact OG-N 3.24Å; S37-E40 PolarHBondContact OG-OE2 2.52Å; E40-V43 PolarHBondContact O-N 2.88Å; E40-K44 PolarHBondContact O-N 2.94Å; E40-L56 HydrophobicContact CG-CD1 4.26Å; E40-L56 HydrophobicContact CG-CD2 4.13Å
41	T	97.3	Very high	96.5	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-51.4	171.5	-60.2	0	0	0	0	109.8	M32 S37 V43 K44 E45	M32-T41 HydrophobicContact CG-CG2 4.16Å; S37-T41 PolarHBondContact O-N 2.74Å; S37-T41 PolarHBondContact O-OG1 3.45Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.23Å; T41-K44 WeakPolarHBondContact O-CA 3.07Å; T41-K44 WeakPolarHBondContact O-CB 3.44Å; T41-K44 PolarHBondContact O-N 3.4Å; T41-E45 HydrophobicContact CG2-CG 4.2Å; T41-E45 WeakPolarHBondContact O-CG 3.03Å; T41-E45 PolarHBondContact O-N 2.86Å
42	M	98	Very high	96.7	Very high	25 Å²	25	53 Å²	53	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-39	-179	-169.5	74.2	-98.3	0	0	112.9	P38 E39 E45 I46 L59 Y79	P38-M42 WeakPolarHBondContact O-CB 3.29Å; P38-M42 PolarHBondContact O-N 2.82Å; E39-M42 PolarHBondContact O-N 3.42Å; M42-E45 HydrophobicContact CE-CB 3.97Å; M42-E45 PolarHBondContact O-N 2.95Å; M42-I46 HydrophobicContact CE-CD1 4.32Å; M42-I46 HydrophobicContact CE-CG1 3.84Å; M42-I46 HydrophobicContact CG-CD1 4.01Å; M42-I46 WeakPolarHBondContact O-CB 2.91Å; M42-I46 WeakPolarHBondContact O-CD1 3.42Å; M42-I46 WeakPolarHBondContact O-CG1 3.25Å; M42-I46 PolarHBondContact O-N 3.3Å; M42-L59 HydrophobicContact CB-CD1 3.96Å; M42-L59 HydrophobicContact CG-CD1 4.22Å; M42-L59 HydrophobicContact CG-CD2 4.22Å; M42-Y79 HydrophobicContact CB-CD2 4.08Å; M42-Y79 HydrophobicContact CB-CE2 4.35Å; M42-Y79 HydrophobicContact CG-CD2 3.78Å; M42-Y79 HydrophobicContact CG-CG 4.09Å; M42-Y79 HydrophobicContact SD-CD2 3.98Å
43	V	98	Very high	96.9	Very high	29 Å²	29	50.2 Å²	50.2	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-39.7	174.7	172	0	0	0	0	111.9	E39 E40 T41 R47 V54 L56 L59	E39-V43 WeakPolarHBondContact O-CG2 3.38Å; E39-V43 PolarHBondContact O-N 3.42Å; E40-V43 PolarHBondContact O-N 2.88Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.23Å; V43-R47 PolarHBondContact O-N 3.07Å; V43-V54 WeakPolarHBondContact CG1-O 3.5Å; V43-V54 WeakPolarHBondContact CG2-O 3.11Å; V43-L56 HydrophobicContact CG2-CD2 3.73Å; V43-L56 HydrophobicContact CG2-CG 4.33Å; V43-L59 HydrophobicContact CG2-CD1 3.64Å; V43-L59 HydrophobicContact CG2-CG 4.14Å
44	K	97.4	Very high	97.1	Very high	31 Å²	31	46.1 Å²	46.1	14%	0.135	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-51.8	173.7	171.1	-173	167.9	-68.5	0	110.5	M36 E40 T41 I46 R47 E48	M36-K44 HydrophobicContact SD-CD 4.46Å; E40-K44 PolarHBondContact O-N 2.94Å; T41-K44 WeakPolarHBondContact O-CA 3.07Å; T41-K44 WeakPolarHBondContact O-CB 3.44Å; T41-K44 PolarHBondContact O-N 3.4Å; K44-I46 PolarHBondContact O-N 2.99Å; K44-R47 WeakPolarHBondContact O-CA 3.32Å; K44-R47 WeakPolarHBondContact O-CB 3.27Å; K44-R47 PolarHBondContact O-N 2.95Å; K44-E48 WeakPolarHBondContact CE-OE1 3.45Å; K44-E48 WeakPolarHBondContact CE-OE2 3.08Å; K44-E48 HydrophobicContact CG-CG 4.44Å; K44-E48 VanDerWaalsContact CG-OE1 3.29Å; K44-E48 WeakPolarHBondContact CG-OE1 3.42Å; K44-E48 IonicContact NZ-OE1 2.73Å; K44-E48 PolarHBondContact NZ-OE1 2.84Å; K44-E48 IonicContact NZ-OE2 3.17Å; K44-E48 PolarHBondContact NZ-OE2 2.88Å; K44-E48 PolarHBondContact O-N 3.43Å
45	E	98	Very high	97.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.019	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-40	-178.1	-56.9	-47	137.9	0	0	112.3	T41 M42 R47 E48 E49	T41-E45 HydrophobicContact CG2-CG 4.2Å; T41-E45 WeakPolarHBondContact O-CG 3.03Å; T41-E45 PolarHBondContact O-N 2.86Å; M42-E45 HydrophobicContact CE-CB 3.97Å; M42-E45 PolarHBondContact O-N 2.95Å; E45-R47 PolarHBondContact O-N 2.95Å; E45-E48 PolarHBondContact O-N 3.23Å; E45-E49 WeakPolarHBondContact O-CB 3.45Å; E45-E49 PolarHBondContact O-N 3.07Å
46	I	98.2	Very high	97.4	Very high	13 Å²	13	40 Å²	40	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-36.2	174.3	-69.2	164.2	0	0	0	111.1	M42 K44 V50 G51 Y52 V54 L59	M42-I46 HydrophobicContact CE-CD1 4.32Å; M42-I46 HydrophobicContact CE-CG1 3.84Å; M42-I46 HydrophobicContact CG-CD1 4.01Å; M42-I46 WeakPolarHBondContact O-CB 2.91Å; M42-I46 WeakPolarHBondContact O-CD1 3.42Å; M42-I46 WeakPolarHBondContact O-CG1 3.25Å; M42-I46 PolarHBondContact O-N 3.3Å; K44-I46 PolarHBondContact O-N 2.99Å; I46-V50 HydrophobicContact CB-CG2 4.33Å; I46-V50 HydrophobicContact CG2-CG2 3.77Å; I46-V50 CarbonylContact O-C 3.56Å; I46-V50 WeakPolarHBondContact O-CG2 3.24Å; I46-V50 PolarHBondContact O-N 2.82Å; I46-G51 PolarHBondContact O-N 3.33Å; I46-Y52 CarbonylContact C-O 3.48Å; I46-Y52 PolarHBondContact O-N 2.95Å; I46-V54 HydrophobicContact CG2-CG2 3.82Å; I46-L59 HydrophobicContact CD1-CD2 3.86Å
47	R	97.8	Very high	97.5	Very high	124 Å²	124	43.8 Å²	43.8	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-72.9	-43.2	177.9	-176	-176	176.3	90.2	7	111.9	V43 K44 E45 G51 Y52 V89	V43-R47 PolarHBondContact O-N 3.07Å; K44-R47 WeakPolarHBondContact O-CA 3.32Å; K44-R47 WeakPolarHBondContact O-CB 3.27Å; K44-R47 PolarHBondContact O-N 2.95Å; E45-R47 PolarHBondContact O-N 2.95Å; R47-G51 WeakPolarHBondContact O-CA 3.34Å; R47-G51 PolarHBondContact O-N 3.13Å; R47-Y52 VanDerWaalsContact CA-O 3.26Å; R47-Y52 WeakPolarHBondContact CA-O 3.32Å; R47-Y52 PolarHBondContact N-O 3.21Å; R47-V89 HydrophobicContact CG-CG2 4.12Å
48	E	97.1	Very high	97.5	Very high	57 Å²	57	46.3 Å²	46.3	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-73.1	-51.7	-176.4	-70.8	173.9	-175.3	0	0	111.1	K44 E45 G92 G93 G94	K44-E48 WeakPolarHBondContact CE-OE1 3.45Å; K44-E48 WeakPolarHBondContact CE-OE2 3.08Å; K44-E48 HydrophobicContact CG-CG 4.44Å; K44-E48 VanDerWaalsContact CG-OE1 3.29Å; K44-E48 WeakPolarHBondContact CG-OE1 3.42Å; K44-E48 IonicContact NZ-OE1 2.73Å; K44-E48 PolarHBondContact NZ-OE1 2.84Å; K44-E48 IonicContact NZ-OE2 3.17Å; K44-E48 PolarHBondContact NZ-OE2 2.88Å; K44-E48 PolarHBondContact O-N 3.43Å; E45-E48 PolarHBondContact O-N 3.23Å; E48-G92 CarbonylContact O-C 3.55Å; E48-G92 WeakPolarHBondContact O-CA 3.33Å; E48-G93 PolarHBondContact O-N 3.43Å; E48-G94 WeakPolarHBondContact O-CA 3.46Å; E48-G94 PolarHBondContact O-N 2.99Å
49	E	97.8	Very high	97.6	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-80.1	-43.9	-172.4	-60.8	-168.5	143.3	0	0	113.3	C28 A29 E45 G92 G93 I102	C28-E49 WeakPolarHBondContact CA-OE2 3.38Å; C28-E49 WeakPolarHBondContact CB-OE2 3.48Å; C28-E49 PolarHBondContact SG-OE2 3.2Å; A29-E49 PolarHBondContact N-OE2 3.09Å; A29-E49 VanDerWaalsContact O-OE1 3.04Å; E45-E49 WeakPolarHBondContact O-CB 3.45Å; E45-E49 PolarHBondContact O-N 3.07Å; E49-G92 CarbonylContact O-C 3.51Å; E49-G92 WeakPolarHBondContact O-CA 3.37Å; E49-G93 PolarHBondContact O-N 2.82Å; E49-I102 HydrophobicContact CB-CD1 4.09Å; E49-I102 HydrophobicContact CG-CD1 3.69Å; E49-I102 WeakPolarHBondContact OE1-CD1 3.41Å
50	V	97.6	Very high	97.6	Very high	28 Å²	28	46 Å²	46	17%	0.17	23%	0.229	C	C	.	.	S	Bend	trans	-116	-2	-173.5	-58.4	0	0	0	0	114.2	C28 I46 Y52 K88 T104	C28-V50 HydrophobicContact CB-CG1 4.11Å; I46-V50 HydrophobicContact CB-CG2 4.33Å; I46-V50 HydrophobicContact CG2-CG2 3.77Å; I46-V50 CarbonylContact O-C 3.56Å; I46-V50 WeakPolarHBondContact O-CG2 3.24Å; I46-V50 PolarHBondContact O-N 2.82Å; V50-Y52 HydrophobicContact CB-CD2 4.36Å; V50-Y52 HydrophobicContact CG2-CD2 4.1Å; V50-Y52 WeakPolarHBondContact O-CD2 3.44Å; V50-Y52 WeakPolarHBondContact O-CE2 3.2Å; V50-K88 PolarHBondContact O-NZ 3.17Å; V50-T104 WeakPolarHBondContact CA-OG1 3.34Å; V50-T104 HydrophobicContact CB-CG2 4.43Å; V50-T104 HydrophobicContact CG1-CG2 4.39Å
51	G	97.7	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.			trans	77	19.3	167.9	0	0	0	0	0	115.8	I46 R47 V89 S90	I46-G51 PolarHBondContact O-N 3.33Å; R47-G51 WeakPolarHBondContact O-CA 3.34Å; R47-G51 PolarHBondContact O-N 3.13Å; G51-V89 VanDerWaalsContact O-CG2 3.24Å; G51-V89 WeakPolarHBondContact O-CG2 3.4Å; G51-V89 PolarHBondContact O-N 3.07Å; G51-S90 VanDerWaalsContact CA-OG 3.27Å; G51-S90 WeakPolarHBondContact CA-OG 3.15Å; G51-S90 PolarHBondContact O-N 3.3Å
52	Y	98.4	Very high	97.7	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.024	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-108.2	140.5	179	-69.3	-89.8	0	0	0	111.8	I46 R47 V50 I83 N84 M87 K88	I46-Y52 CarbonylContact C-O 3.48Å; I46-Y52 PolarHBondContact O-N 2.95Å; R47-Y52 VanDerWaalsContact CA-O 3.26Å; R47-Y52 WeakPolarHBondContact CA-O 3.32Å; R47-Y52 PolarHBondContact N-O 3.21Å; V50-Y52 HydrophobicContact CB-CD2 4.36Å; V50-Y52 HydrophobicContact CG2-CD2 4.1Å; V50-Y52 WeakPolarHBondContact O-CD2 3.44Å; V50-Y52 WeakPolarHBondContact O-CE2 3.2Å; Y52-I83 HydrophobicContact CD1-CB 4.15Å; Y52-I83 HydrophobicContact CD1-CD1 4.01Å; Y52-I83 HydrophobicContact CD2-CD1 3.67Å; Y52-I83 HydrophobicContact CE1-CB 4.43Å; Y52-I83 HydrophobicContact CE1-CD1 3.87Å; Y52-I83 HydrophobicContact CE2-CD1 3.55Å; Y52-I83 HydrophobicContact CG-CB 4.46Å; Y52-I83 HydrophobicContact CG-CD1 3.91Å; Y52-I83 HydrophobicContact CG-CG2 4.46Å; Y52-N84 WeakPolarHBondContact CE1-O 3.14Å; Y52-M87 WeakPolarHBondContact CA-O 3.5Å; Y52-M87 HydrophobicContact CD1-CB 3.99Å; Y52-K88 HydrophobicContact CD1-CB 4.17Å; Y52-K88 HydrophobicContact CD1-CD 4.08Å; Y52-K88 HydrophobicContact CD2-CD 4.13Å; Y52-K88 HydrophobicContact CE1-CB 3.89Å; Y52-K88 HydrophobicContact CE1-CD 3.71Å; Y52-K88 HydrophobicContact CE1-CG 4.38Å; Y52-K88 HydrophobicContact CE2-CD 3.76Å; Y52-K88 HydrophobicContact CG-CD 4.28Å
53	S	98.2	Very high	97.7	Very high	52 Å²	52	50.3 Å²	50.3	36%	0.364	25%	0.248	S	C	.	.			trans	-100	96.7	174.3	-167.9	0	0	0	0	109.9	M87	S53-M87 PolarHBondContact N-O 3.23Å
54	V	98	Very high	97.7	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	25%	0.252	C	S	.	.			trans	-97.6	127.1	-176.1	-179.4	0	0	0	0	110.6	V43 I46 R58 L59 C81 I83	V43-V54 WeakPolarHBondContact CG1-O 3.5Å; V43-V54 WeakPolarHBondContact CG2-O 3.11Å; I46-V54 HydrophobicContact CG2-CG2 3.82Å; V54-R58 HydrophobicContact CG1-CB 3.87Å; V54-L59 HydrophobicContact CG1-CD2 4.48Å; V54-C81 HydrophobicContact CG1-CB 4.04Å; V54-I83 HydrophobicContact CG2-CG2 3.61Å
55	P	97.3	Very high	97.6	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	26%	0.262	S	S	.	.			trans	-60.1	142.5	169.8	-26	36	0	0	0	112.6	D57 R58	P55-D57 WeakPolarHBondContact CB-OD1 3.03Å; P55-D57 PolarHBondContact O-N 3.21Å; P55-R58 HydrophobicContact CB-CG 4.33Å; P55-R58 WeakPolarHBondContact O-CB 3.26Å; P55-R58 PolarHBondContact O-N 3.26Å
56	L	97.4	Very high	97.6	Very high	88 Å²	88	59.4 Å²	59.4	46%	0.461	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-55.5	-37.3	-179.2	-76.4	168.5	0	0	0	113.2	E39 E40 V43 R58 L59	E39-L56 HydrophobicContact CB-CD2 3.77Å; E40-L56 HydrophobicContact CG-CD1 4.26Å; E40-L56 HydrophobicContact CG-CD2 4.13Å; V43-L56 HydrophobicContact CG2-CD2 3.73Å; V43-L56 HydrophobicContact CG2-CG 4.33Å; L56-R58 PolarHBondContact O-N 3.47Å; L56-L59 PolarHBondContact O-N 3.26Å; L56-L59 VanDerWaalsContact O-N 3.13Å
57	D	96.8	Very high	97.3	Very high	144 Å²	144	60.9 Å²	60.9	77%	0.77	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-70.1	-9.3	179.1	66.9	-39.7	0	0	0	113.8	P55	P55-D57 WeakPolarHBondContact CB-OD1 3.03Å; P55-D57 PolarHBondContact O-N 3.21Å
58	R	96.5	Very high	97	Very high	95 Å²	95	56.9 Å²	56.9	36%	0.358	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-94.9	-3.7	172.8	-66.3	-169.1	65.6	143.2	-2.2	113.8	V54 P55 L56 C81 E82 M87	V54-R58 HydrophobicContact CG1-CB 3.87Å; P55-R58 HydrophobicContact CB-CG 4.33Å; P55-R58 WeakPolarHBondContact O-CB 3.26Å; P55-R58 PolarHBondContact O-N 3.26Å; L56-R58 PolarHBondContact O-N 3.47Å; R58-C81 WeakPolarHBondContact O-CB 3.49Å; R58-E82 PolarHBondContact NE-O 3.2Å; R58-E82 PolarHBondContact NH2-O 2.96Å; R58-M87 VanDerWaalsContact CZ-CE 3.41Å
59	L	97.9	Very high	96.8	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.12	32%	0.32	C	S	.	.			trans	-80.2	120.8	169.4	-70.4	-175.1	0	0	0	110.3	E39 M42 V43 I46 V54 L56 Y79 C81	E39-L59 HydrophobicContact CB-CD1 4.13Å; E39-L59 WeakPolarHBondContact O-CD1 3.49Å; M42-L59 HydrophobicContact CB-CD1 3.96Å; M42-L59 HydrophobicContact CG-CD1 4.22Å; M42-L59 HydrophobicContact CG-CD2 4.22Å; V43-L59 HydrophobicContact CG2-CD1 3.64Å; V43-L59 HydrophobicContact CG2-CG 4.14Å; I46-L59 HydrophobicContact CD1-CD2 3.86Å; V54-L59 HydrophobicContact CG1-CD2 4.48Å; L56-L59 PolarHBondContact O-N 3.26Å; L56-L59 VanDerWaalsContact O-N 3.13Å; L59-Y79 HydrophobicContact CB-CD1 4.17Å; L59-C81 HydrophobicContact CD2-CB 4.11Å
60	E	97.7	Very high	96.6	Very high	78 Å²	78	63.1 Å²	63.1	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.7	169.2	179.7	169.9	138	0	0	109.8	I62 Y79 Y80 K138	E60-I62 PolarHBondContact O-N 3.39Å; E60-Y79 CarbonylContact O-C 3.58Å; E60-Y79 VanDerWaalsContact O-CA 3.29Å; E60-Y79 WeakPolarHBondContact O-CA 3.27Å; E60-Y80 HydrophobicContact CB-CD1 4.44Å; E60-Y80 PolarHBondContact N-O 3.01Å; E60-Y80 PolarHBondContact O-N 3.39Å; E60-K138 WeakPolarHBondContact OE1-CE 3.24Å; E60-K138 IonicContact OE1-NZ 3.45Å; E60-K138 PolarHBondContact OE1-NZ 2.7Å; E60-K138 IonicContact OE2-NZ 2.52Å; E60-K138 PolarHBondContact OE2-NZ 3.31Å
61	R	98.1	Very high	96.4	Very high	115 Å²	115	68.4 Å²	68.4	43%	0.434	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.4	171.4	-174.8	-176.8	174.8	95.9	5.8	110	S64 T77 Y79	R61-S64 VanDerWaalsContact NH2-CB 3.3Å; R61-S64 PolarHBondContact NH2-OG 3.26Å; R61-T77 HydrophobicContact CG-CG2 4.28Å; R61-Y79 HydrophobicContact CB-CD1 4.13Å; R61-Y79 HydrophobicContact CB-CE1 3.86Å; R61-Y79 HydrophobicContact CG-CE1 4.2Å
62	I	98.3	Very high	96.2	Very high	35 Å²	35	72.9 Å²	72.9	18%	0.179	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-64.7	176	-59.3	176.9	0	0	0	110.2	E60 Y78 F129 W133	E60-I62 PolarHBondContact O-N 3.39Å; I62-Y78 WeakPolarHBondContact CB-O 3.32Å; I62-Y78 PolarHBondContact N-O 2.87Å; I62-F129 HydrophobicContact CG2-CE1 4.15Å; I62-F129 HydrophobicContact CG2-CZ 3.99Å; I62-W133 HydrophobicContact CB-CZ2 4.37Å; I62-W133 HydrophobicContact CD1-CD2 3.9Å; I62-W133 HydrophobicContact CD1-CE3 3.65Å; I62-W133 HydrophobicContact CD1-CH2 3.95Å; I62-W133 HydrophobicContact CD1-CZ2 4.26Å; I62-W133 HydrophobicContact CD1-CZ3 3.67Å; I62-W133 HydrophobicContact CG1-CD2 4.17Å; I62-W133 HydrophobicContact CG1-CE3 4.2Å; I62-W133 HydrophobicContact CG1-CH2 3.69Å; I62-W133 HydrophobicContact CG1-CZ2 3.72Å; I62-W133 HydrophobicContact CG1-CZ3 3.98Å; I62-W133 HydrophobicContact CG2-CD2 3.89Å; I62-W133 HydrophobicContact CG2-CG 3.88Å; I62-W133 HydrophobicContact CG2-CZ2 4.19Å
63	T	98	Very high	96	Very high	59 Å²	59	73.8 Å²	73.8	36%	0.362	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	179.9	-178.2	-165.6	0	0	0	0	109.8	Y78 F129	T63-Y78 HydrophobicContact CG2-CD2 4.38Å; T63-Y78 PolarHBondContact O-N 3.27Å; T63-F129 HydrophobicContact CG2-CE1 4.01Å; T63-F129 HydrophobicContact CG2-CZ 3.63Å
64	S	97.6	Very high	95.8	Very high	37 Å²	37	73.9 Å²	73.9	26%	0.259	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.8	167.3	53.4	0	0	0	0	110.7	R61 F75 S76	R61-S64 VanDerWaalsContact NH2-CB 3.3Å; R61-S64 PolarHBondContact NH2-OG 3.26Å; S64-F75 VanDerWaalsContact CB-CZ 3.41Å; S64-F75 WeakPolarHBondContact OG-CZ 3.21Å; S64-S76 CarbonylContact C-O 3.49Å; S64-S76 WeakPolarHBondContact CA-O 3.43Å; S64-S76 WeakPolarHBondContact CB-O 3.29Å
65	C	96.4	Very high	95.7	Very high	51 Å²	51	79.5 Å²	79.5	35%	0.345	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	168.3	-180	65.9	0	0	0	0	111.9	S76 Y78	C65-S76 PolarHBondContact N-O 3.37Å; C65-S76 PolarHBondContact O-N 3.29Å; C65-Y78 WeakPolarHBondContact SG-CE2 3.41Å
66	R	96.2	Very high	95.6	Very high	167 Å²	167	78.7 Å²	78.7	63%	0.63	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.5	171.9	-67.5	-175.4	-179	-79.7	-1	110.8	V69 G73 S74 F75	R66-V69 HydrophobicContact CB-CG1 4.37Å; R66-G73 PolarHBondContact NH1-O 3.44Å; R66-G73 VanDerWaalsContact NH1-O 3.08Å; R66-S74 CarbonylContact C-O 3.57Å; R66-S74 WeakPolarHBondContact CA-O 3.32Å; R66-F75 HydrophobicContact CG-CD2 4.03Å
67	S	93.3	Very high	95.7	Very high	44 Å²	44	76.3 Å²	76.3	31%	0.308	44%	0.44	S	S	.	.			trans	-128.2	168	174.7	63.2	0	0	0	0	110.5	V69 G73 S74	S67-V69 PolarHBondContact O-N 2.82Å; S67-G73 CarbonylContact O-C 3.41Å; S67-G73 WeakPolarHBondContact O-CA 3.49Å; S67-S74 PolarHBondContact N-O 3.05Å; S67-S74 PolarHBondContact O-N 3.33Å; S67-S74 VanDerWaalsContact O-N 3.1Å
68	G	91.9	Very high	95.7	Very high	40 Å²	40	70.7 Å²	70.7	41%	0.412	41%	0.408	S	S	.	.	S	Bend	trans	60.6	30.3	178.8	0	0	0	0	0	114.1	G70 V71 T72 G73	G68-G70 PolarHBondContact O-N 3.25Å; G68-V71 PolarHBondContact O-N 2.86Å; G68-T72 PolarHBondContact O-N 3.12Å; G68-G73 PolarHBondContact O-N 3.24Å; G68-G73 VanDerWaalsContact O-N 3.12Å
69	V	91.7	Very high	95.8	Very high	115 Å²	115	67.9 Å²	67.9	70%	0.697	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	126.5	-179.8	-60.1	0	0	0	0	109.9	R66 S67	R66-V69 HydrophobicContact CB-CG1 4.37Å; S67-V69 PolarHBondContact O-N 2.82Å
70	G	93.8	Very high	95.9	Very high	86 Å²	86	68.6 Å²	68.6	89%	0.887	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	-15.2	-171.1	0	0	0	0	0	114.6	G68	G68-G70 PolarHBondContact O-N 3.25Å
71	V	93.6	Very high	95.9	Very high	139 Å²	139	66.4 Å²	66.4	84%	0.842	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-60.8	177.3	-172	0	0	0	0	111.7	G68	G68-V71 PolarHBondContact O-N 2.86Å
72	T	92.8	Very high	95.8	Very high	95 Å²	95	64.5 Å²	64.5	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-35.1	-173.2	65.2	0	0	0	0	113.8	G68 S74	G68-T72 PolarHBondContact O-N 3.12Å; T72-S74 WeakPolarHBondContact CB-OG 2.92Å; T72-S74 PolarHBondContact O-N 3.37Å; T72-S74 PolarHBondContact OG1-N 3.34Å; T72-S74 PolarHBondContact OG1-OG 2.92Å
73	G	94	Very high	95.7	Very high	25 Å²	25	66.1 Å²	66.1	26%	0.258	40%	0.396	S	S	.	.			trans	62.4	25.4	-175.6	0	0	0	0	0	114.6	R66 S67 G68	R66-G73 PolarHBondContact NH1-O 3.44Å; R66-G73 VanDerWaalsContact NH1-O 3.08Å; S67-G73 CarbonylContact O-C 3.41Å; S67-G73 WeakPolarHBondContact O-CA 3.49Å; G68-G73 PolarHBondContact O-N 3.24Å; G68-G73 VanDerWaalsContact O-N 3.12Å
74	S	94.7	Very high	95.6	Very high	54 Å²	54	66.6 Å²	66.6	38%	0.378	40%	0.397	S	S	.	.			trans	-52.6	141.1	-177.1	-55.7	0	0	0	0	111.8	R66 S67 T72	R66-S74 CarbonylContact C-O 3.57Å; R66-S74 WeakPolarHBondContact CA-O 3.32Å; S67-S74 PolarHBondContact N-O 3.05Å; S67-S74 PolarHBondContact O-N 3.33Å; S67-S74 VanDerWaalsContact O-N 3.1Å; T72-S74 WeakPolarHBondContact CB-OG 2.92Å; T72-S74 PolarHBondContact O-N 3.37Å; T72-S74 PolarHBondContact OG1-N 3.34Å; T72-S74 PolarHBondContact OG1-OG 2.92Å
75	F	95.9	Very high	95.6	Very high	121 Å²	121	71.5 Å²	71.5	53%	0.531	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120	175.5	-175.4	-100.1	0	0	0	109.5	S64 R66	S64-F75 VanDerWaalsContact CB-CZ 3.41Å; S64-F75 WeakPolarHBondContact OG-CZ 3.21Å; R66-F75 HydrophobicContact CG-CD2 4.03Å
76	S	96.2	Very high	95.7	Very high	42 Å²	42	74.3 Å²	74.3	29%	0.294	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.8	-176.1	-55.6	0	0	0	0	110.2	S64 C65	S64-S76 CarbonylContact C-O 3.49Å; S64-S76 WeakPolarHBondContact CA-O 3.43Å; S64-S76 WeakPolarHBondContact CB-O 3.29Å; C65-S76 PolarHBondContact N-O 3.37Å; C65-S76 PolarHBondContact O-N 3.29Å
77	T	97.6	Very high	95.7	Very high	37 Å²	37	67.5 Å²	67.5	23%	0.227	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133	168	-60.7	0	0	0	0	108.8	R61 Y79	R61-T77 HydrophobicContact CG-CG2 4.28Å; T77-Y79 HydrophobicContact CG2-CD2 4.08Å; T77-Y79 HydrophobicContact CG2-CE1 4.41Å; T77-Y79 HydrophobicContact CG2-CE2 3.32Å
78	Y	98.3	Very high	96	Very high	26 Å²	26	68.6 Å²	68.6	10%	0.102	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	-177.3	-65.3	-100.9	0	0	0	110	L27 I62 T63 C65 S126 F129	L27-Y78 HydrophobicContact CD1-CD1 4.29Å; L27-Y78 HydrophobicContact CD1-CE1 4.39Å; I62-Y78 WeakPolarHBondContact CB-O 3.32Å; I62-Y78 PolarHBondContact N-O 2.87Å; T63-Y78 HydrophobicContact CG2-CD2 4.38Å; T63-Y78 PolarHBondContact O-N 3.27Å; C65-Y78 WeakPolarHBondContact SG-CE2 3.41Å; Y78-S126 WeakPolarHBondContact OH-CB 3.35Å; Y78-F129 AromaticContact CD1-CD1 3.95Å; Y78-F129 HydrophobicContact CD1-CD1 3.95Å; Y78-F129 HydrophobicContact CD1-CE1 4.02Å; Y78-F129 HydrophobicContact CD2-CE1 4.35Å; Y78-F129 AromaticContact CE1-CD1 3.97Å; Y78-F129 HydrophobicContact CE1-CD1 3.97Å; Y78-F129 HydrophobicContact CE1-CE1 4.41Å; Y78-F129 HydrophobicContact CG-CD1 4.36Å; Y78-F129 AromaticContact CG-CE1 3.98Å; Y78-F129 HydrophobicContact CG-CE1 3.98Å
79	Y	98.5	Very high	96.3	Very high	36 Å²	36	70.1 Å²	70.1	14%	0.141	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.7	177.2	-65.8	-88.4	0	0	0	111	P38 E39 M42 L59 E60 R61 T77	P38-Y79 VanDerWaalsContact CB-OH 3.25Å; P38-Y79 WeakPolarHBondContact CB-OH 3.13Å; E39-Y79 VanDerWaalsContact CD-OH 3.31Å; E39-Y79 HydrophobicContact CG-CE1 4.02Å; E39-Y79 PolarHBondContact OE1-OH 3.48Å; M42-Y79 HydrophobicContact CB-CD2 4.08Å; M42-Y79 HydrophobicContact CB-CE2 4.35Å; M42-Y79 HydrophobicContact CG-CD2 3.78Å; M42-Y79 HydrophobicContact CG-CG 4.09Å; M42-Y79 HydrophobicContact SD-CD2 3.98Å; L59-Y79 HydrophobicContact CB-CD1 4.17Å; E60-Y79 CarbonylContact O-C 3.58Å; E60-Y79 VanDerWaalsContact O-CA 3.29Å; E60-Y79 WeakPolarHBondContact O-CA 3.27Å; R61-Y79 HydrophobicContact CB-CD1 4.13Å; R61-Y79 HydrophobicContact CB-CE1 3.86Å; R61-Y79 HydrophobicContact CG-CE1 4.2Å; T77-Y79 HydrophobicContact CG2-CD2 4.08Å; T77-Y79 HydrophobicContact CG2-CE1 4.41Å; T77-Y79 HydrophobicContact CG2-CE2 3.32Å
80	Y	98.4	Very high	96.5	Very high	39 Å²	39	67.2 Å²	67.2	15%	0.153	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.9	168.7	169.4	-95.3	0	0	0	109.1	E60 E82 W133 F134 K138	E60-Y80 HydrophobicContact CB-CD1 4.44Å; E60-Y80 PolarHBondContact N-O 3.01Å; E60-Y80 PolarHBondContact O-N 3.39Å; Y80-E82 HydrophobicContact CE1-CG 3.75Å; Y80-E82 WeakPolarHBondContact OH-CG 3.33Å; Y80-E82 PolarHBondContact OH-OE1 2.96Å; Y80-E82 VanDerWaalsContact OH-OE1 3.13Å; Y80-W133 HydrophobicContact CD1-CH2 4.41Å; Y80-W133 AromaticContact CD2-CZ3 3.85Å; Y80-W133 HydrophobicContact CD2-CZ3 3.85Å; Y80-W133 AromaticContact CG-CH2 3.96Å; Y80-W133 HydrophobicContact CG-CH2 3.96Å; Y80-W133 AromaticContact CG-CZ3 3.75Å; Y80-W133 HydrophobicContact CG-CZ3 3.75Å; Y80-F134 HydrophobicContact CD2-CD2 4.36Å; Y80-F134 AromaticContact CE2-CD2 3.65Å; Y80-F134 HydrophobicContact CE2-CD2 3.65Å; Y80-F134 AromaticContact CE2-CE2 3.87Å; Y80-F134 HydrophobicContact CE2-CE2 3.87Å; Y80-K138 HydrophobicContact CD1-CD 4.28Å; Y80-K138 HydrophobicContact CE1-CD 3.97Å; Y80-K138 VanDerWaalsContact CE1-CE 3.43Å; Y80-K138 HydrophobicContact CE1-CG 4.29Å; Y80-K138 HydrophobicContact CE2-CG 4.29Å
81	C	98	Very high	96.6	Very high	31 Å²	31	68.1 Å²	68.1	21%	0.209	39%	0.39	C	S	.	.			trans	-142.8	149.9	166	62.5	0	0	0	0	110.5	V54 R58 L59	V54-C81 HydrophobicContact CG1-CB 4.04Å; R58-C81 WeakPolarHBondContact O-CB 3.49Å; L59-C81 HydrophobicContact CD2-CB 4.11Å
82	E	96.8	Very high	96.7	Very high	76 Å²	76	62.2 Å²	62.2	36%	0.355	36%	0.356	S	S	.	.			trans	-92	128.7	167.8	-71.5	174.9	-151.2	0	0	108.4	R58 Y80	R58-E82 PolarHBondContact NE-O 3.2Å; R58-E82 PolarHBondContact NH2-O 2.96Å; Y80-E82 HydrophobicContact CE1-CG 3.75Å; Y80-E82 WeakPolarHBondContact OH-CG 3.33Å; Y80-E82 PolarHBondContact OH-OE1 2.96Å; Y80-E82 VanDerWaalsContact OH-OE1 3.13Å
83	I	96.4	Very high	96.9	Very high	69 Å²	69	58.9 Å²	58.9	35%	0.354	34%	0.341	S	S	.	.			trans	-118.7	162.6	178.8	56.1	166.1	0	0	0	110.8	Y52 V54 M87	Y52-I83 HydrophobicContact CD1-CB 4.15Å; Y52-I83 HydrophobicContact CD1-CD1 4.01Å; Y52-I83 HydrophobicContact CD2-CD1 3.67Å; Y52-I83 HydrophobicContact CE1-CB 4.43Å; Y52-I83 HydrophobicContact CE1-CD1 3.87Å; Y52-I83 HydrophobicContact CE2-CD1 3.55Å; Y52-I83 HydrophobicContact CG-CB 4.46Å; Y52-I83 HydrophobicContact CG-CD1 3.91Å; Y52-I83 HydrophobicContact CG-CG2 4.46Å; V54-I83 HydrophobicContact CG2-CG2 3.61Å; I83-M87 HydrophobicContact CB-SD 4.39Å; I83-M87 HydrophobicContact CG2-SD 4.35Å
84	N	96.1	Very high	96.9	Very high	69 Å²	69	58.5 Å²	58.5	37%	0.369	34%	0.337	S	S	.	.			trans	-148.5	173.3	171.1	64.2	33.1	0	0	0	110.2	Y52 S86 M87	Y52-N84 WeakPolarHBondContact CE1-O 3.14Å; N84-S86 PolarHBondContact O-N 2.83Å; N84-S86 PolarHBondContact OD1-N 3.42Å; N84-S86 VanDerWaalsContact OD1-N 3.15Å; N84-S86 PolarHBondContact OD1-OG 3.42Å; N84-M87 WeakPolarHBondContact O-CB 3.42Å; N84-M87 PolarHBondContact O-N 3.36Å; N84-M87 PolarHBondContact OD1-N 2.84Å
85	E	96.7	Very high	96.8	Very high	139 Å²	139	57.6 Å²	57.6	65%	0.65	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.4	-175.9	-63.4	-51.3	128.2	0	0	114.1	M87 K88	E85-M87 PolarHBondContact O-N 3.2Å; E85-M87 VanDerWaalsContact O-N 3.13Å; E85-K88 WeakPolarHBondContact O-CB 3.19Å; E85-K88 PolarHBondContact O-N 2.83Å; E85-K88 VanDerWaalsContact O-N 3.09Å
86	S	97.9	Very high	96.4	Very high	111 Å²	111	56.8 Å²	56.8	78%	0.776	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.9	-11.9	177.6	73.7	0	0	0	0	113	N84	N84-S86 PolarHBondContact O-N 2.83Å; N84-S86 PolarHBondContact OD1-N 3.42Å; N84-S86 VanDerWaalsContact OD1-N 3.15Å; N84-S86 PolarHBondContact OD1-OG 3.42Å
87	M	98	Very high	96.2	Very high	23 Å²	23	61.6 Å²	61.6	11%	0.113	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-94.2	-8.9	175.2	-61.5	176.5	170.1	0	0	113.1	Y52 S53 R58 I83 N84 E85 V89	Y52-M87 WeakPolarHBondContact CA-O 3.5Å; Y52-M87 HydrophobicContact CD1-CB 3.99Å; S53-M87 PolarHBondContact N-O 3.23Å; R58-M87 VanDerWaalsContact CZ-CE 3.41Å; I83-M87 HydrophobicContact CB-SD 4.39Å; I83-M87 HydrophobicContact CG2-SD 4.35Å; N84-M87 WeakPolarHBondContact O-CB 3.42Å; N84-M87 PolarHBondContact O-N 3.36Å; N84-M87 PolarHBondContact OD1-N 2.84Å; E85-M87 PolarHBondContact O-N 3.2Å; E85-M87 VanDerWaalsContact O-N 3.13Å; M87-V89 PolarHBondContact O-N 2.58Å
88	K	98.3	Very high	95.9	Very high	67 Å²	67	63.5 Å²	63.5	29%	0.291	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-70.4	126.9	-178.9	-167.7	67.2	161.9	153.4	0	109.5	V50 Y52 E85 S90 S91	V50-K88 PolarHBondContact O-NZ 3.17Å; Y52-K88 HydrophobicContact CD1-CB 4.17Å; Y52-K88 HydrophobicContact CD1-CD 4.08Å; Y52-K88 HydrophobicContact CD2-CD 4.13Å; Y52-K88 HydrophobicContact CE1-CB 3.89Å; Y52-K88 HydrophobicContact CE1-CD 3.71Å; Y52-K88 HydrophobicContact CE1-CG 4.38Å; Y52-K88 HydrophobicContact CE2-CD 3.76Å; Y52-K88 HydrophobicContact CG-CD 4.28Å; E85-K88 WeakPolarHBondContact O-CB 3.19Å; E85-K88 PolarHBondContact O-N 2.83Å; E85-K88 VanDerWaalsContact O-N 3.09Å; K88-S90 VanDerWaalsContact CD-O 3.29Å; K88-S90 WeakPolarHBondContact CD-O 3.43Å; K88-S90 WeakPolarHBondContact CE-O 3.48Å; K88-S90 PolarHBondContact NZ-O 2.8Å; K88-S91 PolarHBondContact NZ-O 2.72Å
89	V	97.9	Very high	95.4	Very high	72 Å²	72	70 Å²	70	44%	0.436	40%	0.399	S	S	.	.			trans	-123.1	-17.8	-178.4	-66	0	0	0	0	113.3	R47 G51 M87	R47-V89 HydrophobicContact CG-CG2 4.12Å; G51-V89 VanDerWaalsContact O-CG2 3.24Å; G51-V89 WeakPolarHBondContact O-CG2 3.4Å; G51-V89 PolarHBondContact O-N 3.07Å; M87-V89 PolarHBondContact O-N 2.58Å
90	S	96.8	Very high	95.1	Very high	55 Å²	55	70.5 Å²	70.5	39%	0.385	40%	0.403	S	S	.	.	S	Bend	trans	-156.9	175.3	175.4	72.1	0	0	0	0	110.5	G51 K88 G92	G51-S90 VanDerWaalsContact CA-OG 3.27Å; G51-S90 WeakPolarHBondContact CA-OG 3.15Å; G51-S90 PolarHBondContact O-N 3.3Å; K88-S90 VanDerWaalsContact CD-O 3.29Å; K88-S90 WeakPolarHBondContact CD-O 3.43Å; K88-S90 WeakPolarHBondContact CE-O 3.48Å; K88-S90 PolarHBondContact NZ-O 2.8Å; S90-G92 PolarHBondContact O-N 3.04Å; S90-G92 PolarHBondContact OG-N 2.97Å; S90-G92 VanDerWaalsContact OG-N 3.12Å
91	S	95.3	Very high	94.8	Very high	105 Å²	105	76.3 Å²	76.3	73%	0.734	43%	0.429	S	S	*	.			trans	-63.1	-16.8	170	47.7	0	0	0	0	113.7	K88	K88-S91 PolarHBondContact NZ-O 2.72Å
92	G	96.5	Very high	94.8	Very high	14 Å²	14	77.7 Å²	77.7	14%	0.144	43%	0.434	C	S	.	.			trans	73.2	-158.1	-158.8	0	0	0	0	0	110.4	E48 E49 S90	E48-G92 CarbonylContact O-C 3.55Å; E48-G92 WeakPolarHBondContact O-CA 3.33Å; E49-G92 CarbonylContact O-C 3.51Å; E49-G92 WeakPolarHBondContact O-CA 3.37Å; S90-G92 PolarHBondContact O-N 3.04Å; S90-G92 PolarHBondContact OG-N 2.97Å; S90-G92 VanDerWaalsContact OG-N 3.12Å
93	G	96.1	Very high	94.7	Very high	26 Å²	26	81.7 Å²	81.7	27%	0.268	45%	0.452	S	S	.	.			trans	118.8	-8.2	178.7	0	0	0	0	0	114.5	E48 E49 I102	E48-G93 PolarHBondContact O-N 3.43Å; E49-G93 PolarHBondContact O-N 2.82Å; G93-I102 WeakPolarHBondContact CA-O 3.47Å
94	G	95.1	Very high	94.7	Very high	16 Å²	16	80.1 Å²	80.1	17%	0.165	45%	0.446	C	S	.	.			trans	86.7	-177.5	-178.9	0	0	0	0	0	113.6	E48 P96 E100	E48-G94 WeakPolarHBondContact O-CA 3.46Å; E48-G94 PolarHBondContact O-N 2.99Å; G94-P96 WeakPolarHBondContact O-CD 3.36Å; G94-E100 VanDerWaalsContact C-OE2 3.25Å; G94-E100 WeakPolarHBondContact CA-OE2 3.47Å
95	N	91.4	Very high	94.7	Very high	36 Å²	36	80.3 Å²	80.3	19%	0.193	45%	0.45	C	S	.	.			trans	-83.1	113.7	173	-174.6	-8.8	0	0	0	110.3	N97 E98 E100	N95-N97 PolarHBondContact O-N 3.26Å; N95-N97 VanDerWaalsContact O-N 3.09Å; N95-N97 WeakPolarHBondContact OD1-CB 3.33Å; N95-N97 PolarHBondContact OD1-N 2.86Å; N95-N97 PolarHBondContact OD1-ND2 2.82Å; N95-E98 HydrophobicContact CB-CB 4.16Å; N95-E98 HydrophobicContact CB-CG 4.03Å; N95-E98 PolarHBondContact ND2-OE1 3.3Å; N95-E98 PolarHBondContact O-N 3.39Å; N95-E100 PolarHBondContact N-OE2 3.02Å
96	P	88.2	Confident	94.6	Very high	104 Å²	104	79.9 Å²	79.9	68%	0.675	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-64.8	-18	-179.6	25.2	-33.4	0	0	0	113.5	G94 E98	G94-P96 WeakPolarHBondContact O-CD 3.36Å; P96-E98 VanDerWaalsContact C-N 3.28Å
97	N	92.4	Very high	94.6	Very high	143 Å²	143	76.5 Å²	76.5	77%	0.765	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-78.2	-15.2	174	-55.5	-65.7	0	0	0	112.8	N95	N95-N97 PolarHBondContact O-N 3.26Å; N95-N97 VanDerWaalsContact O-N 3.09Å; N95-N97 WeakPolarHBondContact OD1-CB 3.33Å; N95-N97 PolarHBondContact OD1-N 2.86Å; N95-N97 PolarHBondContact OD1-ND2 2.82Å
98	E	90.3	Very high	94.6	Very high	77 Å²	77	77.8 Å²	77.8	36%	0.36	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-98.7	7.7	178.7	-65.1	179.9	-143	0	0	112	N95 P96 E100	N95-E98 HydrophobicContact CB-CB 4.16Å; N95-E98 HydrophobicContact CB-CG 4.03Å; N95-E98 PolarHBondContact ND2-OE1 3.3Å; N95-E98 PolarHBondContact O-N 3.39Å; P96-E98 VanDerWaalsContact C-N 3.28Å; E98-E100 HydrophobicContact CB-CG 4.06Å; E98-E100 PolarHBondContact O-N 3.23Å
99	L	88.9	Confident	94.5	Very high	161 Å²	161	78.8 Å²	78.8	84%	0.843	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	27.2	-179.1	-53.9	175.9	0	0	0	113.1
100	E	92.1	Very high	94.4	Very high	48 Å²	48	82.9 Å²	82.9	22%	0.224	45%	0.454	C	S	.	.			trans	-70.1	140.1	176.1	-66.9	178.8	165	0	0	110.9	G94 N95 E98 I102	G94-E100 VanDerWaalsContact C-OE2 3.25Å; G94-E100 WeakPolarHBondContact CA-OE2 3.47Å; N95-E100 PolarHBondContact N-OE2 3.02Å; E98-E100 HydrophobicContact CB-CG 4.06Å; E98-E100 PolarHBondContact O-N 3.23Å; E100-I102 HydrophobicContact CB-CD1 4.1Å; E100-I102 HydrophobicContact CB-CG1 4.39Å; E100-I102 HydrophobicContact CG-CD1 4.44Å
101	F	92.6	Very high	94.5	Very high	160 Å²	160	85 Å²	85	70%	0.702	46%	0.458	S	S	*	.			trans	-134.4	83.5	178	-171.1	-103.8	0	0	0	109	M23	M23-F101 HydrophobicContact CE-CD1 3.93Å; M23-F101 HydrophobicContact CE-CE1 3.92Å; M23-F101 HydrophobicContact SD-CD1 3.84Å; M23-F101 HydrophobicContact SD-CE1 3.94Å
102	I	96.3	Very high	94.6	Very high	60 Å²	60	80.9 Å²	80.9	31%	0.308	43%	0.428	S	S	.	.			trans	-121.6	137	-168.1	-59.7	170.8	0	0	0	110.1	E49 G93 E100	E49-I102 HydrophobicContact CB-CD1 4.09Å; E49-I102 HydrophobicContact CG-CD1 3.69Å; E49-I102 WeakPolarHBondContact OE1-CD1 3.41Å; G93-I102 WeakPolarHBondContact CA-O 3.47Å; E100-I102 HydrophobicContact CB-CD1 4.1Å; E100-I102 HydrophobicContact CB-CG1 4.39Å; E100-I102 HydrophobicContact CG-CD1 4.44Å
103	E	95.3	Very high	94.6	Very high	160 Å²	160	87.5 Å²	87.5	75%	0.748	45%	0.449	S	S	*	.			trans	-123.9	131.8	168.9	-174.2	-178.1	162.4	0	0	109.1	V105	E103-V105 PolarHBondContact O-N 3.19Å
104	T	95.9	Very high	94.7	Very high	37 Å²	37	93.9 Å²	93.9	23%	0.227	47%	0.466	C	S	.	.			trans	-74.6	126.3	176.1	-59	0	0	0	0	110.1	V50	V50-T104 WeakPolarHBondContact CA-OG1 3.34Å; V50-T104 HydrophobicContact CB-CG2 4.43Å; V50-T104 HydrophobicContact CG1-CG2 4.39Å
105	V	96.3	Very high	94.9	Very high	72 Å²	72	93.7 Å²	93.7	44%	0.436	46%	0.46	S	S	.	.			trans	-115.2	129.5	176	-179.9	0	0	0	0	110	Y25 E103 V107	Y25-V105 HydrophobicContact CD1-CB 4.46Å; Y25-V105 HydrophobicContact CD1-CG1 4.46Å; Y25-V105 HydrophobicContact CD1-CG2 4.3Å; Y25-V105 HydrophobicContact CE1-CB 4.32Å; Y25-V105 HydrophobicContact CE1-CG1 4.04Å; Y25-V105 HydrophobicContact CE1-CG2 3.96Å; E103-V105 PolarHBondContact O-N 3.19Å; V105-V107 HydrophobicContact CG1-CG2 4.31Å
106	H	96	Very high	95.2	Very high	130 Å²	130	92.3 Å²	92.3	60%	0.602	45%	0.453	S	S	*	.			trans	-101.5	121.4	173.8	-62.3	-83.9	0	0	0	109.8
107	V	97.4	Very high	95.6	Very high	41 Å²	41	94.7 Å²	94.7	25%	0.248	45%	0.453	C	S	.	.			trans	-104.7	123.7	178	-175	0	0	0	0	109.3	V105 E111 L112 F115	V105-V107 HydrophobicContact CG1-CG2 4.31Å; V107-E111 HydrophobicContact CG1-CB 4.19Å; V107-L112 HydrophobicContact CB-CD2 4.07Å; V107-L112 HydrophobicContact CG1-CD2 3.9Å; V107-L112 HydrophobicContact CG1-CG 4.49Å; V107-F115 HydrophobicContact CG1-CB 3.97Å; V107-F115 HydrophobicContact CG1-CD1 4.38Å; V107-F115 HydrophobicContact CG1-CD2 4.44Å; V107-F115 HydrophobicContact CG1-CG 4.02Å; V107-F115 HydrophobicContact CG2-CD1 4.24Å; V107-F115 HydrophobicContact CG2-CD2 4.18Å; V107-F115 HydrophobicContact CG2-CE1 4.18Å; V107-F115 HydrophobicContact CG2-CE2 4.13Å; V107-F115 HydrophobicContact CG2-CG 4.23Å; V107-F115 HydrophobicContact CG2-CZ 4.13Å
108	P	97.5	Very high	95.8	Very high	49 Å²	49	88.9 Å²	88.9	32%	0.318	42%	0.422	S	S	.	.			trans	-56.8	144.3	174.3	-24.1	34	0	0	0	112.2	E110 E111 L112	P108-E110 VanDerWaalsContact C-N 3.26Å; P108-E110 VanDerWaalsContact CB-CD 3.48Å; P108-E110 HydrophobicContact CB-CG 4.19Å; P108-E110 PolarHBondContact O-N 3.41Å; P108-E111 HydrophobicContact CB-CB 4.36Å; P108-E111 HydrophobicContact CB-CG 4.16Å; P108-E111 HydrophobicContact CG-CG 4.35Å; P108-E111 PolarHBondContact O-N 3.21Å; P108-L112 PolarHBondContact O-N 3.03Å
109	L	96.5	Very high	96.1	Very high	88 Å²	88	94.2 Å²	94.2	46%	0.461	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.1	-174.7	-71.3	178.7	0	0	0	112.4	E111 L112 F134 L139	L109-E111 PolarHBondContact O-N 2.95Å; L109-L112 HydrophobicContact CD2-CD1 3.84Å; L109-L112 PolarHBondContact O-N 3.41Å; L109-F134 HydrophobicContact CD2-CE1 3.63Å; L109-F134 HydrophobicContact CD2-CZ 3.8Å; L109-L139 HydrophobicContact CD1-CD1 4.42Å
110	E	96.5	Very high	96.5	Very high	158 Å²	158	91.2 Å²	91.2	74%	0.738	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.6	177	61.2	-87.2	-151.7	0	0	113	P108	P108-E110 VanDerWaalsContact C-N 3.26Å; P108-E110 VanDerWaalsContact CB-CD 3.48Å; P108-E110 HydrophobicContact CB-CG 4.19Å; P108-E110 PolarHBondContact O-N 3.41Å
111	E	98	Very high	96.6	Very high	99 Å²	99	93.1 Å²	93.1	46%	0.463	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-15.9	-179.6	-67.3	-177.4	-170.9	0	0	113	V107 P108 L109 R113 Y114 F115	V107-E111 HydrophobicContact CG1-CB 4.19Å; P108-E111 HydrophobicContact CB-CB 4.36Å; P108-E111 HydrophobicContact CB-CG 4.16Å; P108-E111 HydrophobicContact CG-CG 4.35Å; P108-E111 PolarHBondContact O-N 3.21Å; L109-E111 PolarHBondContact O-N 2.95Å; E111-R113 PolarHBondContact O-N 2.9Å; E111-Y114 PolarHBondContact O-N 3.16Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 PolarHBondContact O-N 3.42Å
112	L	97.8	Very high	96.8	Very high	19 Å²	19	88.6 Å²	88.6	10%	0.099	43%	0.431	C	S	.	.	H	α-helix	trans	-51.2	-40.1	-173.6	-78	177.9	0	0	0	113.8	V107 P108 L109 M116 I131 F134 L135	V107-L112 HydrophobicContact CB-CD2 4.07Å; V107-L112 HydrophobicContact CG1-CD2 3.9Å; V107-L112 HydrophobicContact CG1-CG 4.49Å; P108-L112 PolarHBondContact O-N 3.03Å; L109-L112 HydrophobicContact CD2-CD1 3.84Å; L109-L112 PolarHBondContact O-N 3.41Å; L112-M116 VanDerWaalsContact O-CB 3.24Å; L112-M116 WeakPolarHBondContact O-CB 3.49Å; L112-M116 PolarHBondContact O-N 2.7Å; L112-I131 HydrophobicContact CB-CG2 4.16Å; L112-I131 HydrophobicContact CD2-CG1 4.36Å; L112-I131 HydrophobicContact CD2-CG2 4.41Å; L112-F134 HydrophobicContact CD1-CD1 3.99Å; L112-F134 HydrophobicContact CD1-CE1 3.99Å; L112-L135 HydrophobicContact CB-CD2 4.44Å; L112-L135 HydrophobicContact CD1-CD2 4.12Å
113	R	97.2	Very high	96.9	Very high	153 Å²	153	87.6 Å²	87.6	58%	0.577	42%	0.424	S	S	*	.	H	α-helix	trans	-68.1	-41.9	179.1	-66.7	-174	-173.3	-76.3	-2	112	E111 F117 L135	E111-R113 PolarHBondContact O-N 2.9Å; R113-F117 WeakPolarHBondContact O-CD2 3.02Å; R113-L135 HydrophobicContact CG-CD1 3.95Å
114	Y	98	Very high	96.9	Very high	160 Å²	160	81.1 Å²	81.1	63%	0.627	40%	0.397	S	S	*	.	H	α-helix	trans	-67	-50.8	176.4	176.3	-93.7	0	0	0	110.1	E111 M116 F117 D118	E111-Y114 PolarHBondContact O-N 3.16Å; Y114-M116 VanDerWaalsContact C-N 3.27Å; Y114-M116 PolarHBondContact O-N 3.17Å; Y114-F117 PolarHBondContact O-N 3.11Å; Y114-D118 HydrophobicContact CD1-CB 4.46Å; Y114-D118 HydrophobicContact CE1-CB 4.04Å; Y114-D118 PolarHBondContact O-N 2.87Å
115	F	98.3	Very high	96.9	Very high	12 Å²	12	84.4 Å²	84.4	5%	0.053	42%	0.418	C	S	.	.	H	α-helix	trans	-52.5	-45.4	178.7	176.4	-99.8	0	0	0	111.8	Y25 V107 E111 F117 D118 K123 L127 I131	Y25-F115 HydrophobicContact CD1-CE2 4.02Å; Y25-F115 AromaticContact CD1-CZ 3.82Å; Y25-F115 HydrophobicContact CD1-CZ 3.82Å; Y25-F115 HydrophobicContact CD2-CE2 4.42Å; Y25-F115 HydrophobicContact CD2-CZ 4.4Å; Y25-F115 HydrophobicContact CE1-CE2 4.18Å; Y25-F115 HydrophobicContact CE1-CZ 4.43Å; Y25-F115 HydrophobicContact CG-CE2 4.15Å; Y25-F115 AromaticContact CG-CZ 3.8Å; Y25-F115 HydrophobicContact CG-CZ 3.8Å; V107-F115 HydrophobicContact CG1-CB 3.97Å; V107-F115 HydrophobicContact CG1-CD1 4.38Å; V107-F115 HydrophobicContact CG1-CD2 4.44Å; V107-F115 HydrophobicContact CG1-CG 4.02Å; V107-F115 HydrophobicContact CG2-CD1 4.24Å; V107-F115 HydrophobicContact CG2-CD2 4.18Å; V107-F115 HydrophobicContact CG2-CE1 4.18Å; V107-F115 HydrophobicContact CG2-CE2 4.13Å; V107-F115 HydrophobicContact CG2-CG 4.23Å; V107-F115 HydrophobicContact CG2-CZ 4.13Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 PolarHBondContact O-N 3.42Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.34Å; F115-D118 PolarHBondContact O-N 3.29Å; F115-K123 HydrophobicContact CD1-CD 4.3Å; F115-K123 HydrophobicContact CE1-CD 3.8Å; F115-K123 HydrophobicContact CZ-CD 4.06Å; F115-K123 WeakPolarHBondContact O-CE 3.23Å; F115-K123 PolarHBondContact O-NZ 2.98Å; F115-L127 HydrophobicContact CE1-CD2 4.04Å; F115-L127 HydrophobicContact CZ-CD2 4.38Å; F115-I131 HydrophobicContact CD1-CD1 3.86Å; F115-I131 HydrophobicContact CE1-CD1 4.07Å
116	M	97.4	Very high	96.9	Very high	7 Å²	7	82.7 Å²	82.7	3%	0.034	41%	0.409	C	S	.	.	H	α-helix	trans	-57.4	-36.2	179.7	-176.6	172.4	72.3	0	0	114.1	L112 Y114 I128 I131 L132	L112-M116 VanDerWaalsContact O-CB 3.24Å; L112-M116 WeakPolarHBondContact O-CB 3.49Å; L112-M116 PolarHBondContact O-N 2.7Å; Y114-M116 VanDerWaalsContact C-N 3.27Å; Y114-M116 PolarHBondContact O-N 3.17Å; M116-I128 HydrophobicContact CG-CB 4.36Å; M116-I128 HydrophobicContact CG-CG1 4.17Å; M116-I128 HydrophobicContact CG-CG2 3.85Å; M116-I128 HydrophobicContact SD-CG2 3.98Å; M116-I131 HydrophobicContact CB-CD1 4.33Å; M116-I131 HydrophobicContact CB-CG2 4.39Å; M116-I131 HydrophobicContact SD-CB 4.2Å; M116-I131 HydrophobicContact SD-CG2 3.83Å; M116-L132 HydrophobicContact CE-CD2 3.58Å; M116-L132 HydrophobicContact CE-CG 4.2Å; M116-L132 HydrophobicContact SD-CD1 4.38Å; M116-L132 HydrophobicContact SD-CD2 3.63Å; M116-L132 HydrophobicContact SD-CG 3.58Å; M116-L132 VanDerWaalsContact SD-CG 3.58Å
117	F	96.6	Very high	97	Very high	154 Å²	154	77.2 Å²	77.2	68%	0.675	39%	0.385	S	S	*	.	H	α-helix	trans	-103.2	-4	-176.9	-68.7	-66.4	0	0	0	114.2	R113 Y114 F115 E119	R113-F117 WeakPolarHBondContact O-CD2 3.02Å; Y114-F117 PolarHBondContact O-N 3.11Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.34Å; F117-E119 PolarHBondContact O-N 3.26Å
118	D	97.8	Very high	97	Very high	21 Å²	21	77.9 Å²	77.9	11%	0.112	39%	0.386	C	S	.	.			trans	-71	98.2	175	-178.5	3	0	0	0	110.5	Y114 F115 S120 R121 K123	Y114-D118 HydrophobicContact CD1-CB 4.46Å; Y114-D118 HydrophobicContact CE1-CB 4.04Å; Y114-D118 PolarHBondContact O-N 2.87Å; F115-D118 PolarHBondContact O-N 3.29Å; D118-S120 VanDerWaalsContact CG-OG 3.28Å; D118-S120 PolarHBondContact O-N 3.03Å; D118-S120 VanDerWaalsContact OD1-CB 3.32Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 2.94Å; D118-S120 VanDerWaalsContact OD1-N 3.07Å; D118-S120 PolarHBondContact OD1-OG 2.93Å; D118-S120 PolarHBondContact OD2-OG 2.97Å; D118-R121 PolarHBondContact O-N 3.12Å; D118-R121 WeakPolarHBondContact OD2-CD 3.44Å; D118-R121 IonicContact OD2-NE 2.88Å; D118-R121 PolarHBondContact OD2-NE 2.67Å; D118-R121 VanDerWaalsContact OD2-NE 3.17Å; D118-K123 PolarHBondContact O-NZ 2.87Å
119	E	96.6	Very high	97	Very high	189 Å²	189	79 Å²	79	88%	0.883	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.6	-179.5	-64.3	-174.5	139.8	0	0	113.3	F117 R121	F117-E119 PolarHBondContact O-N 3.26Å; E119-R121 PolarHBondContact O-N 3.24Å
120	S	96.2	Very high	97.1	Very high	98 Å²	98	75.4 Å²	75.4	69%	0.685	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.6	173	76.2	0	0	0	0	112.9	D118	D118-S120 VanDerWaalsContact CG-OG 3.28Å; D118-S120 PolarHBondContact O-N 3.03Å; D118-S120 VanDerWaalsContact OD1-CB 3.32Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 2.94Å; D118-S120 VanDerWaalsContact OD1-N 3.07Å; D118-S120 PolarHBondContact OD1-OG 2.93Å; D118-S120 PolarHBondContact OD2-OG 2.97Å
121	R	95.4	Very high	97.2	Very high	89 Å²	89	68.5 Å²	68.5	34%	0.336	34%	0.338	S	S	.	.	S	Bend	trans	-112.8	105.3	177.6	-65.2	175.8	-174.4	-116.4	6.5	109.2	Y25 D118 E119 K123	Y25-R121 HydrophobicContact CD2-CB 3.91Å; Y25-R121 HydrophobicContact CE2-CB 3.7Å; Y25-R121 HydrophobicContact CE2-CG 3.86Å; Y25-R121 PolarHBondContact OH-NH1 2.87Å; D118-R121 PolarHBondContact O-N 3.12Å; D118-R121 WeakPolarHBondContact OD2-CD 3.44Å; D118-R121 IonicContact OD2-NE 2.88Å; D118-R121 PolarHBondContact OD2-NE 2.67Å; D118-R121 VanDerWaalsContact OD2-NE 3.17Å; E119-R121 PolarHBondContact O-N 3.24Å; R121-K123 PolarHBondContact O-N 3.41Å; R121-K123 PolarHBondContact O-NZ 3.05Å
122	P	96.8	Very high	97.2	Very high	65 Å²	65	67.8 Å²	67.8	42%	0.422	34%	0.337	S	S	.	.			trans	-58.8	133.3	179.3	-24.3	34.2	0	0	0	112	T24 Y25	T24-P122 HydrophobicContact CG2-CB 4.26Å; Y25-P122 PolarHBondContact N-O 3.46Å
123	K	97.4	Very high	97.3	Very high	38 Å²	38	68.4 Å²	68.4	17%	0.165	34%	0.338	C	S	.	.			trans	-146.2	141.5	-179.2	-64.3	177.9	-147.3	78	0	111.1	F115 D118 R121 L127	F115-K123 HydrophobicContact CD1-CD 4.3Å; F115-K123 HydrophobicContact CE1-CD 3.8Å; F115-K123 HydrophobicContact CZ-CD 4.06Å; F115-K123 WeakPolarHBondContact O-CE 3.23Å; F115-K123 PolarHBondContact O-NZ 2.98Å; D118-K123 PolarHBondContact O-NZ 2.87Å; R121-K123 PolarHBondContact O-N 3.41Å; R121-K123 PolarHBondContact O-NZ 3.05Å; K123-L127 HydrophobicContact CB-CD2 4.29Å; K123-L127 HydrophobicContact CD-CD2 3.97Å; K123-L127 HydrophobicContact CG-CD2 3.9Å
124	P	95.6	Very high	97.3	Very high	25 Å²	25	62.6 Å²	62.6	16%	0.162	32%	0.317	C	S	.	.			trans	-78.6	156.7	168	33.8	-33.6	0	0	0	110.8	Y25 E26 S126 L127 I128	Y25-P124 WeakPolarHBondContact O-CD 3.48Å; E26-P124 HydrophobicContact CB-CG 4.36Å; E26-P124 HydrophobicContact CG-CG 3.91Å; P124-S126 WeakPolarHBondContact CB-OG 3.4Å; P124-S126 VanDerWaalsContact CG-OG 3.23Å; P124-S126 WeakPolarHBondContact CG-OG 3.33Å; P124-S126 PolarHBondContact O-N 2.73Å; P124-S126 VanDerWaalsContact O-N 3.11Å; P124-L127 HydrophobicContact CG-CB 4.25Å; P124-L127 PolarHBondContact O-N 3.45Å; P124-L127 VanDerWaalsContact O-N 3.16Å; P124-I128 PolarHBondContact O-N 3.47Å
125	P	95.5	Very high	97.3	Very high	106 Å²	106	55.6 Å²	55.6	69%	0.688	29%	0.291	S	S	*	.	H	α-helix	trans	-57.4	-24.4	173.4	-26.4	35.1	0	0	0	114.3	I128 F129	P125-I128 PolarHBondContact O-N 2.69Å; P125-F129 WeakPolarHBondContact O-CB 3.29Å; P125-F129 PolarHBondContact O-N 3.09Å
126	S	96.8	Very high	97.3	Very high	35 Å²	35	61 Å²	61	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-43.6	176	49	0	0	0	0	112.2	L27 Y78 P124 F129 G130	L27-S126 WeakPolarHBondContact CD1-O 3.34Å; Y78-S126 WeakPolarHBondContact OH-CB 3.35Å; P124-S126 WeakPolarHBondContact CB-OG 3.4Å; P124-S126 VanDerWaalsContact CG-OG 3.23Å; P124-S126 WeakPolarHBondContact CG-OG 3.33Å; P124-S126 PolarHBondContact O-N 2.73Å; P124-S126 VanDerWaalsContact O-N 3.11Å; S126-F129 PolarHBondContact O-N 2.78Å; S126-G130 PolarHBondContact O-N 3.02Å
127	L	98	Very high	97.3	Very high	16 Å²	16	66.8 Å²	66.8	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-44.3	176	176.9	57.2	0	0	0	111.3	Y25 L27 F115 K123 P124 F129 G130 I131	Y25-L127 WeakPolarHBondContact O-CD2 3.36Å; L27-L127 HydrophobicContact CD2-CD1 3.52Å; L27-L127 HydrophobicContact CG-CB 4.35Å; L27-L127 HydrophobicContact CG-CD1 3.9Å; F115-L127 HydrophobicContact CE1-CD2 4.04Å; F115-L127 HydrophobicContact CZ-CD2 4.38Å; K123-L127 HydrophobicContact CB-CD2 4.29Å; K123-L127 HydrophobicContact CD-CD2 3.97Å; K123-L127 HydrophobicContact CG-CD2 3.9Å; P124-L127 HydrophobicContact CG-CB 4.25Å; P124-L127 PolarHBondContact O-N 3.45Å; P124-L127 VanDerWaalsContact O-N 3.16Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.01Å; L127-G130 PolarHBondContact O-N 2.95Å; L127-I131 HydrophobicContact CD1-CD1 4.09Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 4.1Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3Å
128	I	98	Very high	97.3	Very high	54 Å²	54	60.3 Å²	60.3	28%	0.277	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-44.5	175.7	-63.9	176.1	0	0	0	110.6	M116 P124 P125 I131 L132	M116-I128 HydrophobicContact CG-CB 4.36Å; M116-I128 HydrophobicContact CG-CG1 4.17Å; M116-I128 HydrophobicContact CG-CG2 3.85Å; M116-I128 HydrophobicContact SD-CG2 3.98Å; P124-I128 PolarHBondContact O-N 3.47Å; P125-I128 PolarHBondContact O-N 2.69Å; I128-I131 PolarHBondContact O-N 2.91Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 WeakPolarHBondContact O-CG 3.2Å; I128-L132 PolarHBondContact O-N 3.11Å
129	F	97.7	Very high	97.2	Very high	72 Å²	72	61.2 Å²	61.2	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-47.4	174.7	166.8	-102.4	0	0	0	111.9	I62 T63 Y78 P125 S126 L127 I131 L132 W133	I62-F129 HydrophobicContact CG2-CE1 4.15Å; I62-F129 HydrophobicContact CG2-CZ 3.99Å; T63-F129 HydrophobicContact CG2-CE1 4.01Å; T63-F129 HydrophobicContact CG2-CZ 3.63Å; Y78-F129 AromaticContact CD1-CD1 3.95Å; Y78-F129 HydrophobicContact CD1-CD1 3.95Å; Y78-F129 HydrophobicContact CD1-CE1 4.02Å; Y78-F129 HydrophobicContact CD2-CE1 4.35Å; Y78-F129 AromaticContact CE1-CD1 3.97Å; Y78-F129 HydrophobicContact CE1-CD1 3.97Å; Y78-F129 HydrophobicContact CE1-CE1 4.41Å; Y78-F129 HydrophobicContact CG-CD1 4.36Å; Y78-F129 AromaticContact CG-CE1 3.98Å; Y78-F129 HydrophobicContact CG-CE1 3.98Å; P125-F129 WeakPolarHBondContact O-CB 3.29Å; P125-F129 PolarHBondContact O-N 3.09Å; S126-F129 PolarHBondContact O-N 2.78Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.01Å; F129-I131 VanDerWaalsContact C-N 3.35Å; F129-I131 PolarHBondContact O-N 3.06Å; F129-L132 PolarHBondContact O-N 2.94Å; F129-W133 VanDerWaalsContact O-CB 3.32Å; F129-W133 WeakPolarHBondContact O-CB 2.89Å; F129-W133 PolarHBondContact O-N 2.95Å
130	G	98.2	Very high	97.2	Very high	13 Å²	13	55.6 Å²	55.6	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-44.7	177.5	0	0	0	0	0	112.6	S126 L127 F134	S126-G130 PolarHBondContact O-N 3.02Å; L127-G130 PolarHBondContact O-N 2.95Å; G130-F134 WeakPolarHBondContact O-CB 3.38Å; G130-F134 PolarHBondContact O-N 3.03Å
131	I	98.4	Very high	97	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-50.4	176.5	-65.3	168	0	0	0	110.9	L112 F115 M116 L127 I128 F129 W133 F134 L135	L112-I131 HydrophobicContact CB-CG2 4.16Å; L112-I131 HydrophobicContact CD2-CG1 4.36Å; L112-I131 HydrophobicContact CD2-CG2 4.41Å; F115-I131 HydrophobicContact CD1-CD1 3.86Å; F115-I131 HydrophobicContact CE1-CD1 4.07Å; M116-I131 HydrophobicContact CB-CD1 4.33Å; M116-I131 HydrophobicContact CB-CG2 4.39Å; M116-I131 HydrophobicContact SD-CB 4.2Å; M116-I131 HydrophobicContact SD-CG2 3.83Å; L127-I131 HydrophobicContact CD1-CD1 4.09Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 4.1Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3Å; I128-I131 PolarHBondContact O-N 2.91Å; F129-I131 VanDerWaalsContact C-N 3.35Å; F129-I131 PolarHBondContact O-N 3.06Å; I131-W133 VanDerWaalsContact C-N 3.34Å; I131-W133 PolarHBondContact O-N 3.39Å; I131-F134 PolarHBondContact O-N 2.91Å; I131-L135 HydrophobicContact CG2-CD1 3.79Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.48Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.41Å; I131-L135 PolarHBondContact O-N 3.2Å
132	L	98.3	Very high	96.8	Very high	84 Å²	84	54.5 Å²	54.5	44%	0.44	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-44.4	179.4	-75.2	174.1	0	0	0	111.9	M116 I128 F129 L135 Q136	M116-L132 HydrophobicContact CE-CD2 3.58Å; M116-L132 HydrophobicContact CE-CG 4.2Å; M116-L132 HydrophobicContact SD-CD1 4.38Å; M116-L132 HydrophobicContact SD-CD2 3.63Å; M116-L132 HydrophobicContact SD-CG 3.58Å; M116-L132 VanDerWaalsContact SD-CG 3.58Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 WeakPolarHBondContact O-CG 3.2Å; I128-L132 PolarHBondContact O-N 3.11Å; F129-L132 PolarHBondContact O-N 2.94Å; L132-L135 PolarHBondContact O-N 2.86Å; L132-Q136 VanDerWaalsContact O-CB 3.25Å; L132-Q136 WeakPolarHBondContact O-CB 3.16Å; L132-Q136 PolarHBondContact O-N 3.08Å
133	W	98.3	Very high	96.4	Very high	32 Å²	32	55.3 Å²	55.3	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-45.5	176.4	176.4	91.8	0	0	0	111.2	I62 Y80 F129 I131 Q136 Y137 K138	I62-W133 HydrophobicContact CB-CZ2 4.37Å; I62-W133 HydrophobicContact CD1-CD2 3.9Å; I62-W133 HydrophobicContact CD1-CE3 3.65Å; I62-W133 HydrophobicContact CD1-CH2 3.95Å; I62-W133 HydrophobicContact CD1-CZ2 4.26Å; I62-W133 HydrophobicContact CD1-CZ3 3.67Å; I62-W133 HydrophobicContact CG1-CD2 4.17Å; I62-W133 HydrophobicContact CG1-CE3 4.2Å; I62-W133 HydrophobicContact CG1-CH2 3.69Å; I62-W133 HydrophobicContact CG1-CZ2 3.72Å; I62-W133 HydrophobicContact CG1-CZ3 3.98Å; I62-W133 HydrophobicContact CG2-CD2 3.89Å; I62-W133 HydrophobicContact CG2-CG 3.88Å; I62-W133 HydrophobicContact CG2-CZ2 4.19Å; Y80-W133 HydrophobicContact CD1-CH2 4.41Å; Y80-W133 AromaticContact CD2-CZ3 3.85Å; Y80-W133 HydrophobicContact CD2-CZ3 3.85Å; Y80-W133 AromaticContact CG-CH2 3.96Å; Y80-W133 HydrophobicContact CG-CH2 3.96Å; Y80-W133 AromaticContact CG-CZ3 3.75Å; Y80-W133 HydrophobicContact CG-CZ3 3.75Å; F129-W133 VanDerWaalsContact O-CB 3.32Å; F129-W133 WeakPolarHBondContact O-CB 2.89Å; F129-W133 PolarHBondContact O-N 2.95Å; I131-W133 VanDerWaalsContact C-N 3.34Å; I131-W133 PolarHBondContact O-N 3.39Å; W133-Q136 PolarHBondContact O-N 3.1Å; W133-Y137 HydrophobicContact CB-CD2 4.49Å; W133-Y137 AromaticContact CD1-CD2 3.31Å; W133-Y137 AromaticContact CD1-CE2 3.8Å; W133-Y137 HydrophobicContact CD2-CD2 4.46Å; W133-Y137 AromaticContact CG-CD2 3.88Å; W133-Y137 HydrophobicContact CG-CD2 3.88Å; W133-Y137 AromaticContact NE1-CD2 3.54Å; W133-Y137 WeakPolarHBondContact O-CB 3.37Å; W133-Y137 WeakPolarHBondContact O-CD2 3.32Å; W133-Y137 PolarHBondContact O-N 2.93Å; W133-K138 HydrophobicContact CE3-CG 4.11Å; W133-K138 HydrophobicContact CH2-CD 3.89Å; W133-K138 HydrophobicContact CH2-CG 3.5Å; W133-K138 VanDerWaalsContact CH2-CG 3.5Å; W133-K138 HydrophobicContact CZ2-CG 4.29Å; W133-K138 HydrophobicContact CZ3-CD 4.23Å; W133-K138 HydrophobicContact CZ3-CG 3.34Å
134	F	98.3	Very high	95.6	Very high	31 Å²	31	56.9 Å²	56.9	14%	0.136	30%	0.301	C	S	.	.	I	π-helix	trans	-60.6	-49.6	177.8	172.3	-92.3	0	0	0	111.3	Y80 L109 L112 G130 I131 Q136 K138 L139 I142	Y80-F134 HydrophobicContact CD2-CD2 4.36Å; Y80-F134 AromaticContact CE2-CD2 3.65Å; Y80-F134 HydrophobicContact CE2-CD2 3.65Å; Y80-F134 AromaticContact CE2-CE2 3.87Å; Y80-F134 HydrophobicContact CE2-CE2 3.87Å; L109-F134 HydrophobicContact CD2-CE1 3.63Å; L109-F134 HydrophobicContact CD2-CZ 3.8Å; L112-F134 HydrophobicContact CD1-CD1 3.99Å; L112-F134 HydrophobicContact CD1-CE1 3.99Å; G130-F134 WeakPolarHBondContact O-CB 3.38Å; G130-F134 PolarHBondContact O-N 3.03Å; I131-F134 PolarHBondContact O-N 2.91Å; F134-Q136 VanDerWaalsContact C-N 3.26Å; F134-Q136 PolarHBondContact O-N 3.25Å; F134-K138 HydrophobicContact CD2-CB 3.49Å; F134-K138 VanDerWaalsContact CD2-CB 3.49Å; F134-K138 HydrophobicContact CD2-CG 4.06Å; F134-K138 HydrophobicContact CE2-CB 3.77Å; F134-K138 HydrophobicContact CG-CB 4.18Å; F134-K138 WeakPolarHBondContact O-CA 3.33Å; F134-K138 WeakPolarHBondContact O-CB 3.17Å; F134-K138 PolarHBondContact O-N 3.5Å; F134-L139 HydrophobicContact CD1-CB 4.47Å; F134-L139 HydrophobicContact CE1-CB 4.01Å; F134-L139 HydrophobicContact CE1-CD1 4.28Å; F134-L139 HydrophobicContact CZ-CB 4.42Å; F134-L139 HydrophobicContact CZ-CD1 4.44Å; F134-L139 PolarHBondContact O-N 2.82Å; F134-I142 HydrophobicContact CE2-CD1 3.98Å; F134-I142 HydrophobicContact CZ-CD1 4.17Å
135	L	97.7	Very high	94.7	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.073	33%	0.325	C	S	.	.	I	π-helix	trans	-60	-36.8	179	-69.4	175.6	0	0	0	112.2	L112 R113 I131 L132 L139 P140	L112-L135 HydrophobicContact CB-CD2 4.44Å; L112-L135 HydrophobicContact CD1-CD2 4.12Å; R113-L135 HydrophobicContact CG-CD1 3.95Å; I131-L135 HydrophobicContact CG2-CD1 3.79Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.48Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.41Å; I131-L135 PolarHBondContact O-N 3.2Å; L132-L135 PolarHBondContact O-N 2.86Å; L135-L139 HydrophobicContact CD2-CD2 3.73Å; L135-P140 WeakPolarHBondContact O-CD 3.38Å
136	Q	97.5	Very high	93.2	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	33%	0.328	S	S	*	.	I	π-helix	trans	-80.2	-43.9	-178.1	178.2	62.4	15.4	0	0	113.2	L132 W133 F134	L132-Q136 VanDerWaalsContact O-CB 3.25Å; L132-Q136 WeakPolarHBondContact O-CB 3.16Å; L132-Q136 PolarHBondContact O-N 3.08Å; W133-Q136 PolarHBondContact O-N 3.1Å; F134-Q136 VanDerWaalsContact C-N 3.26Å; F134-Q136 PolarHBondContact O-N 3.25Å
137	Y	97.4	Very high	91.5	Very high	129 Å²	129	70 Å²	70	51%	0.506	35%	0.348	S	S	.	.	I	π-helix	trans	-112.6	-24.2	-165.5	-63.5	-72.2	0	0	0	114.3	W133 K141	W133-Y137 HydrophobicContact CB-CD2 4.49Å; W133-Y137 AromaticContact CD1-CD2 3.31Å; W133-Y137 AromaticContact CD1-CE2 3.8Å; W133-Y137 HydrophobicContact CD2-CD2 4.46Å; W133-Y137 AromaticContact CG-CD2 3.88Å; W133-Y137 HydrophobicContact CG-CD2 3.88Å; W133-Y137 AromaticContact NE1-CD2 3.54Å; W133-Y137 WeakPolarHBondContact O-CB 3.37Å; W133-Y137 WeakPolarHBondContact O-CD2 3.32Å; W133-Y137 PolarHBondContact O-N 2.93Å; Y137-K141 WeakPolarHBondContact O-CD 3.47Å; Y137-K141 WeakPolarHBondContact O-CE 3.46Å
138	K	96.4	Very high	89	Confident	18 Å²	18	80.1 Å²	80.1	8%	0.078	39%	0.394	C	S	.	.	I	π-helix	trans	-102.8	-52.2	-177.7	-70.9	-58.7	-163.5	170.1	0	113.2	E60 Y80 W133 F134 P140 K141 I142	E60-K138 WeakPolarHBondContact OE1-CE 3.24Å; E60-K138 IonicContact OE1-NZ 3.45Å; E60-K138 PolarHBondContact OE1-NZ 2.7Å; E60-K138 IonicContact OE2-NZ 2.52Å; E60-K138 PolarHBondContact OE2-NZ 3.31Å; Y80-K138 HydrophobicContact CD1-CD 4.28Å; Y80-K138 HydrophobicContact CE1-CD 3.97Å; Y80-K138 VanDerWaalsContact CE1-CE 3.43Å; Y80-K138 HydrophobicContact CE1-CG 4.29Å; Y80-K138 HydrophobicContact CE2-CG 4.29Å; W133-K138 HydrophobicContact CE3-CG 4.11Å; W133-K138 HydrophobicContact CH2-CD 3.89Å; W133-K138 HydrophobicContact CH2-CG 3.5Å; W133-K138 VanDerWaalsContact CH2-CG 3.5Å; W133-K138 HydrophobicContact CZ2-CG 4.29Å; W133-K138 HydrophobicContact CZ3-CD 4.23Å; W133-K138 HydrophobicContact CZ3-CG 3.34Å; F134-K138 HydrophobicContact CD2-CB 3.49Å; F134-K138 VanDerWaalsContact CD2-CB 3.49Å; F134-K138 HydrophobicContact CD2-CG 4.06Å; F134-K138 HydrophobicContact CE2-CB 3.77Å; F134-K138 HydrophobicContact CG-CB 4.18Å; F134-K138 WeakPolarHBondContact O-CA 3.33Å; F134-K138 WeakPolarHBondContact O-CB 3.17Å; F134-K138 PolarHBondContact O-N 3.5Å; K138-P140 VanDerWaalsContact C-CD 3.48Å; K138-P140 VanDerWaalsContact C-N 3.34Å; K138-K141 WeakPolarHBondContact O-CB 3.38Å; K138-K141 PolarHBondContact O-N 3.28Å; K138-I142 PolarHBondContact O-N 3Å
139	L	96.4	Very high	88.6	Confident	39 Å²	39	81.4 Å²	81.4	20%	0.204	40%	0.399	C	S	.	.	H	α-helix	trans	-54.9	-41.9	-175.3	-176.1	62.6	0	0	0	113.4	L109 F134 L135 K141 I142 T143	L109-L139 HydrophobicContact CD1-CD1 4.42Å; F134-L139 HydrophobicContact CD1-CB 4.47Å; F134-L139 HydrophobicContact CE1-CB 4.01Å; F134-L139 HydrophobicContact CE1-CD1 4.28Å; F134-L139 HydrophobicContact CZ-CB 4.42Å; F134-L139 HydrophobicContact CZ-CD1 4.44Å; F134-L139 PolarHBondContact O-N 2.82Å; L135-L139 HydrophobicContact CD2-CD2 3.73Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.37Å; L139-I142 PolarHBondContact O-N 2.95Å; L139-T143 WeakPolarHBondContact O-CB 3.42Å; L139-T143 PolarHBondContact O-N 3.39Å; L139-T143 PolarHBondContact O-OG1 3.01Å
140	P	96.2	Very high	88.1	Confident	72 Å²	72	81.9 Å²	81.9	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-36.1	177.5	-25	36.5	0	0	0	113.2	L135 K138 S144	L135-P140 WeakPolarHBondContact O-CD 3.38Å; K138-P140 VanDerWaalsContact C-CD 3.48Å; K138-P140 VanDerWaalsContact C-N 3.34Å; P140-S144 PolarHBondContact O-N 2.93Å; P140-S144 VanDerWaalsContact O-N 3.08Å; P140-S144 PolarHBondContact O-OG 3.32Å
141	K	93.7	Very high	87.5	Confident	125 Å²	125	85.7 Å²	85.7	54%	0.543	42%	0.419	S	S	.	.	H	α-helix	trans	-74.1	-33.4	179	-61	179.2	-176.8	173.6	0	112.4	Y137 K138 L139 S144 R145	Y137-K141 WeakPolarHBondContact O-CD 3.47Å; Y137-K141 WeakPolarHBondContact O-CE 3.46Å; K138-K141 WeakPolarHBondContact O-CB 3.38Å; K138-K141 PolarHBondContact O-N 3.28Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.37Å; K141-S144 PolarHBondContact O-OG 2.91Å; K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.12Å
142	I	90.6	Very high	86.9	Confident	38 Å²	38	90 Å²	90	20%	0.195	44%	0.439	C	S	.	.	H	α-helix	trans	-72.4	-40.6	175.6	-65.3	169.4	0	0	0	110	F134 K138 L139 R145 K146	F134-I142 HydrophobicContact CE2-CD1 3.98Å; F134-I142 HydrophobicContact CZ-CD1 4.17Å; K138-I142 PolarHBondContact O-N 3Å; L139-I142 PolarHBondContact O-N 2.95Å; I142-R145 PolarHBondContact O-N 3.46Å; I142-K146 PolarHBondContact O-N 3.1Å
143	T	87.3	Confident	86.2	Confident	83 Å²	83	90.4 Å²	90.4	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-68.5	-38.8	-178.9	-52.5	0	0	0	0	111.6	L139 R145 K146	L139-T143 WeakPolarHBondContact O-CB 3.42Å; L139-T143 PolarHBondContact O-N 3.39Å; L139-T143 PolarHBondContact O-OG1 3.01Å; T143-R145 VanDerWaalsContact C-N 3.31Å; T143-R145 PolarHBondContact O-N 3.27Å; T143-K146 PolarHBondContact O-N 3.36Å
144	S	82.2	Confident	85.3	Confident	70 Å²	70	94.3 Å²	94.3	49%	0.49	46%	0.461	S	S	.	.	H	α-helix	trans	-64.3	-33.8	175.6	63.8	0	0	0	0	113.1	P140 K141 K146 S147	P140-S144 PolarHBondContact O-N 2.93Å; P140-S144 VanDerWaalsContact O-N 3.08Å; P140-S144 PolarHBondContact O-OG 3.32Å; K141-S144 PolarHBondContact O-OG 2.91Å; S144-K146 VanDerWaalsContact C-N 3.32Å; S144-K146 PolarHBondContact O-N 3.05Å; S144-S147 PolarHBondContact O-N 3.3Å
145	R	74.8	Confident	84.4	Confident	177 Å²	177	98.8 Å²	98.8	67%	0.668	48%	0.484	S	S	*	.	H	α-helix	trans	-65.8	-28.8	175.6	-73.6	174.6	-179	-179.7	-0.1	113.8	K141 I142 T143 S147	K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.12Å; I142-R145 PolarHBondContact O-N 3.46Å; T143-R145 VanDerWaalsContact C-N 3.31Å; T143-R145 PolarHBondContact O-N 3.27Å; R145-S147 VanDerWaalsContact C-N 3.32Å
146	K	64	Low	83.4	Confident	172 Å²	172	105.3 Å²	105.3	75%	0.748	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.8	178.8	-70.2	-173.7	177.6	-177.8	0	113.6	I142 T143 S144 H148	I142-K146 PolarHBondContact O-N 3.1Å; T143-K146 PolarHBondContact O-N 3.36Å; S144-K146 VanDerWaalsContact C-N 3.32Å; S144-K146 PolarHBondContact O-N 3.05Å; K146-H148 VanDerWaalsContact C-N 3.32Å
147	S	61	Low	82.2	Confident	94 Å²	94	103.7 Å²	103.7	66%	0.657	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	3.3	-179.9	-170.2	0	0	0	0	113.5	S144 R145	S144-S147 PolarHBondContact O-N 3.3Å; R145-S147 VanDerWaalsContact C-N 3.32Å
148	H	46.6	Very low	80.8	Confident	227 Å²	227	101.4 Å²	101.4	100%	1.051	51%	0.51	S	S	*	.			trans	-127.2	0	175.9	-65.4	-8.3	0	0	0	109	K146	K146-H148 VanDerWaalsContact C-N 3.32Å

Retrieved 148 of 148 residues in 69.7 ms (Link to these results)

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