A0A3B3VIK1_9TELE Loading...

Polysaccharide biosynthesis domain containing 1

AlphaFold DB , UniProt , Accession A0A3B3VIK1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 166 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	36.4	Very low	39.7	Very low	247 Å²	247	124 Å²	124	100%	1.217	77%	0.771	S	S	*	*				0	63	0	-72.4	-82.6	-83.9	0	0	109.3
2	A	38.4	Very low	40.6	Very low	102 Å²	102	124.6 Å²	124.6	84%	0.843	77%	0.773	S	S	*	*			trans	-154.6	66.8	177.7	0	0	0	0	0	108.1
3	S	47.3	Very low	40.9	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	78%	0.775	S	S	*	*	S	Bend	trans	-142.4	15	-178	56.9	0	0	0	0	113.3
4	H	35.8	Very low	41.7	Very low	168 Å²	168	120.5 Å²	120.5	78%	0.778	74%	0.735	S	S	*	*	S	Bend	trans	-120.7	-10.1	-178.8	-152	-63.4	0	0	0	114.2
5	E	35.9	Very low	42.4	Very low	171 Å²	171	116.3 Å²	116.3	80%	0.799	72%	0.718	S	S	*	*	S	Bend	trans	-96.1	-18.5	-172.8	-75	-175.6	139.7	0	0	115.1
6	G	35.9	Very low	42.9	Very low	65 Å²	65	114 Å²	114	67%	0.67	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-33.9	-176.5	0	0	0	0	0	114.5
7	L	40.2	Very low	43.5	Very low	163 Å²	163	111.1 Å²	111.1	85%	0.853	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-21.7	-177.7	-87.3	135.4	0	0	0	113.5	A9	L7-A9 VanDerWaalsContact C-N 3.32Å
8	A	36.3	Very low	44.1	Very low	84 Å²	84	106.3 Å²	106.3	69%	0.694	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-14.4	-179.6	0	0	0	0	0	113.5
9	A	39.7	Very low	44.7	Very low	85 Å²	85	103.7 Å²	103.7	70%	0.702	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-13.4	-175.9	0	0	0	0	0	114.3	L7	L7-A9 VanDerWaalsContact C-N 3.32Å
10	L	46.4	Very low	45.2	Very low	110 Å²	110	104.3 Å²	104.3	58%	0.576	65%	0.653	S	S	*	*	S	Bend	trans	-102	94.9	176.7	-68.2	165.9	0	0	0	107.9
11	G	44.6	Very low	45.6	Very low	51 Å²	51	100 Å²	100	53%	0.526	63%	0.628	S	S	.	*			trans	-54.9	176.5	169.1	0	0	0	0	0	112.1	E13 G14 A15	G11-E13 PolarHBondContact O-N 3.32Å; G11-G14 PolarHBondContact O-N 3.32Å; G11-A15 PolarHBondContact O-N 3.28Å; G11-A15 VanDerWaalsContact O-N 3.17Å
12	V	50.6	Low	46.5	Very low	131 Å²	131	89 Å²	89	79%	0.794	57%	0.574	S	S	*	*	H	α-helix	trans	-50	-34.9	-176.7	179.1	0	0	0	0	112.8	S16	V12-S16 PolarHBondContact O-N 3.12Å; V12-S16 VanDerWaalsContact O-N 3.08Å
13	E	44.2	Very low	47.6	Very low	172 Å²	172	86.9 Å²	86.9	80%	0.804	55%	0.553	S	S	*	*	H	α-helix	trans	-69.1	-38.4	176.7	-63.9	-175.7	161.3	0	0	113.6	G11 S16 A17	G11-E13 PolarHBondContact O-N 3.32Å; E13-S16 PolarHBondContact O-N 3.46Å; E13-A17 WeakPolarHBondContact O-CB 3.23Å; E13-A17 PolarHBondContact O-N 3.19Å
14	G	51.9	Low	48	Very low	20 Å²	20	84.6 Å²	84.6	21%	0.206	53%	0.531	C	S	.	.	H	α-helix	trans	-68.7	-37.4	176.9	0	0	0	0	0	112.4	G11 A18	G11-G14 PolarHBondContact O-N 3.32Å; G14-A18 WeakPolarHBondContact O-CB 3.28Å; G14-A18 PolarHBondContact O-N 2.73Å
15	A	52.2	Low	48.9	Very low	58 Å²	58	79.7 Å²	79.7	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-39.7	172.9	0	0	0	0	0	112	G11 A19	G11-A15 PolarHBondContact O-N 3.28Å; G11-A15 VanDerWaalsContact O-N 3.17Å; A15-A19 WeakPolarHBondContact O-CB 3.38Å; A15-A19 PolarHBondContact O-N 3.25Å
16	S	49.8	Very low	49.7	Very low	79 Å²	79	74 Å²	74	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-40.4	176.6	-170.6	0	0	0	0	112.6	V12 E13 A19 H20	V12-S16 PolarHBondContact O-N 3.12Å; V12-S16 VanDerWaalsContact O-N 3.08Å; E13-S16 PolarHBondContact O-N 3.46Å; S16-A19 PolarHBondContact O-N 3.32Å; S16-H20 WeakPolarHBondContact O-CB 3.45Å; S16-H20 PolarHBondContact O-N 3.02Å
17	A	53.7	Low	50.6	Low	65 Å²	65	79 Å²	79	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-66.3	-39.8	176.3	0	0	0	0	0	111.7	E13 A21	E13-A17 WeakPolarHBondContact O-CB 3.23Å; E13-A17 PolarHBondContact O-N 3.19Å; A17-A21 WeakPolarHBondContact O-CB 3.28Å; A17-A21 PolarHBondContact O-N 3.03Å
18	A	54.4	Low	51.4	Low	25 Å²	25	74.3 Å²	74.3	21%	0.207	49%	0.488	C	S	.	.	H	α-helix	trans	-64.7	-43.8	173.2	0	0	0	0	0	111.6	G14 H20 A21 L22 M38	G14-A18 WeakPolarHBondContact O-CB 3.28Å; G14-A18 PolarHBondContact O-N 2.73Å; A18-H20 PolarHBondContact O-N 3.22Å; A18-A21 PolarHBondContact O-N 2.72Å; A18-L22 VanDerWaalsContact O-CD1 3.28Å; A18-L22 WeakPolarHBondContact O-CD1 3.41Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3.46Å; A18-L22 VanDerWaalsContact O-N 3.11Å; A18-M38 HydrophobicContact CB-SD 4.37Å
19	A	55.7	Low	52.3	Low	57 Å²	57	73.8 Å²	73.8	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-45	177.4	0	0	0	0	0	112.3	A15 S16 L22 S23	A15-A19 WeakPolarHBondContact O-CB 3.38Å; A15-A19 PolarHBondContact O-N 3.25Å; S16-A19 PolarHBondContact O-N 3.32Å; A19-L22 PolarHBondContact O-N 3.34Å; A19-S23 PolarHBondContact O-N 3Å
20	H	54.3	Low	52.9	Low	114 Å²	114	73 Å²	73	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-67.2	-35.3	176.5	-173.9	-66	0	0	0	112.7	S16 A18 L22 S23	S16-H20 WeakPolarHBondContact O-CB 3.45Å; S16-H20 PolarHBondContact O-N 3.02Å; A18-H20 PolarHBondContact O-N 3.22Å; H20-L22 VanDerWaalsContact C-N 3.25Å; H20-L22 PolarHBondContact O-N 3.18Å; H20-S23 PolarHBondContact O-N 3.05Å; H20-S23 PolarHBondContact O-OG 3.1Å
21	A	54.3	Low	53.5	Low	14 Å²	14	74.8 Å²	74.8	12%	0.116	48%	0.478	C	S	.	.	H	α-helix	trans	-68.3	-27.6	177.2	0	0	0	0	0	113.1	A17 A18 Y29 L35	A17-A21 WeakPolarHBondContact O-CB 3.28Å; A17-A21 PolarHBondContact O-N 3.03Å; A18-A21 PolarHBondContact O-N 2.72Å; A21-Y29 VanDerWaalsContact CA-OH 3.28Å; A21-Y29 WeakPolarHBondContact CA-OH 3.21Å; A21-Y29 HydrophobicContact CB-CE1 4.37Å; A21-Y29 HydrophobicContact CB-CE2 4.31Å; A21-Y29 WeakPolarHBondContact O-CE2 3.49Å; A21-L35 HydrophobicContact CB-CD1 4.34Å
22	L	56	Low	55	Low	16 Å²	16	74.8 Å²	74.8	8%	0.084	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.9	-178.7	-60.3	164.4	0	0	0	113.1	A18 A19 H20 L35 M38 W39 K42 Y117	A18-L22 VanDerWaalsContact O-CD1 3.28Å; A18-L22 WeakPolarHBondContact O-CD1 3.41Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3.46Å; A18-L22 VanDerWaalsContact O-N 3.11Å; A19-L22 PolarHBondContact O-N 3.34Å; H20-L22 VanDerWaalsContact C-N 3.25Å; H20-L22 PolarHBondContact O-N 3.18Å; L22-L35 HydrophobicContact CD2-CD1 4.02Å; L22-M38 HydrophobicContact CD2-CB 4.02Å; L22-W39 HydrophobicContact CD2-CG 3.92Å; L22-W39 VanDerWaalsContact CD2-NE1 3.34Å; L22-K42 HydrophobicContact CD1-CD 3.75Å; L22-Y117 HydrophobicContact CB-CE2 4.4Å
23	S	60	Low	56.3	Low	58 Å²	58	72.7 Å²	72.7	41%	0.406	46%	0.455	S	S	.	.	S	Bend	trans	-101	-9.2	-179.9	65.4	0	0	0	0	114.2	A19 H20	A19-S23 PolarHBondContact O-N 3Å; H20-S23 PolarHBondContact O-N 3.05Å; H20-S23 PolarHBondContact O-OG 3.1Å
24	L	55.8	Low	58	Low	70 Å²	70	73 Å²	73	37%	0.366	45%	0.449	S	S	.	.	S	Bend	trans	-92.7	156.9	177.2	-64.9	172.3	0	0	0	111.5	A28 Y29	L24-A28 HydrophobicContact CB-CB 4.42Å; L24-Y29 HydrophobicContact CB-CE2 3.89Å; L24-Y29 HydrophobicContact CD1-CE2 4.08Å; L24-Y29 WeakPolarHBondContact CD1-OH 3.11Å
25	P	54.9	Low	59.3	Low	65 Å²	65	72.4 Å²	72.4	42%	0.422	44%	0.441	S	S	.	.			trans	-58	145	176.8	-19.6	30.7	0	0	0	111.6	E27 A28	P25-E27 WeakPolarHBondContact CB-OE2 3.29Å; P25-E27 PolarHBondContact O-N 3.14Å; P25-A28 WeakPolarHBondContact O-CB 3.36Å; P25-A28 PolarHBondContact O-N 3.11Å
26	A	53.3	Low	60.5	Low	53 Å²	53	74 Å²	74	44%	0.438	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.8	-178.3	0	0	0	0	0	112.6	A28 Y29 W39	A26-A28 PolarHBondContact O-N 3.23Å; A26-Y29 PolarHBondContact O-N 3.1Å; A26-W39 HydrophobicContact CB-CH2 3.81Å; A26-W39 HydrophobicContact CB-CZ3 4.36Å
27	E	55.4	Low	62.2	Low	168 Å²	168	73.8 Å²	73.8	79%	0.785	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.4	177.5	-61.7	77.5	-172	0	0	113.7	P25 Y29	P25-E27 WeakPolarHBondContact CB-OE2 3.29Å; P25-E27 PolarHBondContact O-N 3.14Å; E27-Y29 VanDerWaalsContact C-N 3.3Å
28	A	56.4	Low	63.7	Low	66 Å²	66	74 Å²	74	55%	0.545	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-78.1	-16.7	177.4	0	0	0	0	0	112.9	L24 P25 A26	L24-A28 HydrophobicContact CB-CB 4.42Å; P25-A28 WeakPolarHBondContact O-CB 3.36Å; P25-A28 PolarHBondContact O-N 3.11Å; A26-A28 PolarHBondContact O-N 3.23Å
29	Y	54.6	Low	65.1	Low	73 Å²	73	75.7 Å²	75.7	29%	0.286	43%	0.425	S	S	.	.	S	Bend	trans	-119.6	102.7	179.8	-65.8	-76	0	0	0	108.2	A21 L24 A26 E27 N31 L35	A21-Y29 VanDerWaalsContact CA-OH 3.28Å; A21-Y29 WeakPolarHBondContact CA-OH 3.21Å; A21-Y29 HydrophobicContact CB-CE1 4.37Å; A21-Y29 HydrophobicContact CB-CE2 4.31Å; A21-Y29 WeakPolarHBondContact O-CE2 3.49Å; L24-Y29 HydrophobicContact CB-CE2 3.89Å; L24-Y29 HydrophobicContact CD1-CE2 4.08Å; L24-Y29 WeakPolarHBondContact CD1-OH 3.11Å; A26-Y29 PolarHBondContact O-N 3.1Å; E27-Y29 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 3.08Å; Y29-L35 HydrophobicContact CD1-CD2 4.04Å; Y29-L35 HydrophobicContact CD2-CD2 3.64Å; Y29-L35 HydrophobicContact CG-CD2 3.35Å
30	G	53.4	Low	66.6	Low	67 Å²	67	75.9 Å²	75.9	69%	0.691	43%	0.427	S	S	*	.			trans	-50.2	144.5	169.3	0	0	0	0	0	109.9	D32	G30-D32 VanDerWaalsContact C-N 3.28Å; G30-D32 PolarHBondContact O-N 3.47Å
31	N	59.2	Low	68.4	Low	149 Å²	149	76 Å²	76	80%	0.797	43%	0.429	S	S	*	.	S	Bend	trans	-37.8	79.2	-174	-120.4	31.5	0	0	0	113.9	Y29 P33 E36	Y29-N31 PolarHBondContact O-N 3.08Å; N31-P33 WeakPolarHBondContact O-CD 3.34Å; N31-E36 PolarHBondContact OD1-OE1 2.7Å
32	D	74.6	Confident	70.1	Confident	51 Å²	51	78.7 Å²	78.7	27%	0.273	44%	0.438	S	S	.	.			trans	-97.6	110.7	179.6	-173.9	-28.3	0	0	0	106.9	G30 R34 L35 E36	G30-D32 VanDerWaalsContact C-N 3.28Å; G30-D32 PolarHBondContact O-N 3.47Å; D32-R34 PolarHBondContact O-N 3.06Å; D32-R34 VanDerWaalsContact OD1-CB 3.28Å; D32-R34 WeakPolarHBondContact OD1-CB 3.35Å; D32-R34 IonicContact OD1-CZ 2.78Å; D32-R34 PolarHBondContact OD1-N 3Å; D32-R34 IonicContact OD1-NE 3.8Å; D32-R34 PolarHBondContact OD1-NE 3.34Å; D32-R34 VanDerWaalsContact OD1-NE 3.09Å; D32-R34 IonicContact OD1-NH2 2.68Å; D32-R34 IonicContact OD2-CZ 2.68Å; D32-R34 IonicContact OD2-NE 3.54Å; D32-R34 PolarHBondContact OD2-NE 2.91Å; D32-R34 IonicContact OD2-NH2 3.63Å; D32-R34 PolarHBondContact OD2-NH2 3.15Å; D32-L35 HydrophobicContact CB-CB 4.22Å; D32-L35 WeakPolarHBondContact O-CB 3.49Å; D32-L35 PolarHBondContact O-N 2.79Å; D32-E36 PolarHBondContact O-N 2.72Å
33	P	78.3	Confident	71.9	Confident	87 Å²	87	78.1 Å²	78.1	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-55.7	-26.2	-178.5	-26.7	35.4	0	0	0	113.5	N31 V37	N31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-V37 VanDerWaalsContact O-CG2 3.3Å; P33-V37 WeakPolarHBondContact O-CG2 3.39Å; P33-V37 PolarHBondContact O-N 3.14Å; P33-V37 VanDerWaalsContact O-N 3.1Å
34	R	80.3	Confident	73.5	Confident	179 Å²	179	81.2 Å²	81.2	68%	0.675	44%	0.44	S	S	*	.	H	α-helix	trans	-71.4	-35.1	177.7	-59.9	172.3	-65.3	176.1	3.4	111.6	D32 V37 M38	D32-R34 PolarHBondContact O-N 3.06Å; D32-R34 VanDerWaalsContact OD1-CB 3.28Å; D32-R34 WeakPolarHBondContact OD1-CB 3.35Å; D32-R34 IonicContact OD1-CZ 2.78Å; D32-R34 PolarHBondContact OD1-N 3Å; D32-R34 IonicContact OD1-NE 3.8Å; D32-R34 PolarHBondContact OD1-NE 3.34Å; D32-R34 VanDerWaalsContact OD1-NE 3.09Å; D32-R34 IonicContact OD1-NH2 2.68Å; D32-R34 IonicContact OD2-CZ 2.68Å; D32-R34 IonicContact OD2-NE 3.54Å; D32-R34 PolarHBondContact OD2-NE 2.91Å; D32-R34 IonicContact OD2-NH2 3.63Å; D32-R34 PolarHBondContact OD2-NH2 3.15Å; R34-V37 PolarHBondContact O-N 3.1Å; R34-M38 WeakPolarHBondContact O-CG 3.41Å; R34-M38 PolarHBondContact O-N 3.29Å
35	L	77.9	Confident	75.3	Confident	7 Å²	7	82.2 Å²	82.2	4%	0.037	45%	0.445	C	S	.	.	H	α-helix	trans	-69.9	-40.7	176.4	-174.7	63.1	0	0	0	110.9	A21 L22 Y29 D32 V37 M38 W39	A21-L35 HydrophobicContact CB-CD1 4.34Å; L22-L35 HydrophobicContact CD2-CD1 4.02Å; Y29-L35 HydrophobicContact CD1-CD2 4.04Å; Y29-L35 HydrophobicContact CD2-CD2 3.64Å; Y29-L35 HydrophobicContact CG-CD2 3.35Å; D32-L35 HydrophobicContact CB-CB 4.22Å; D32-L35 WeakPolarHBondContact O-CB 3.49Å; D32-L35 PolarHBondContact O-N 2.79Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.34Å; L35-M38 HydrophobicContact CB-CE 4.49Å; L35-M38 HydrophobicContact CD1-CE 3.88Å; L35-M38 PolarHBondContact O-N 3.21Å; L35-W39 HydrophobicContact CD1-CD2 4.48Å; L35-W39 HydrophobicContact CD1-CZ2 4.16Å; L35-W39 HydrophobicContact CD2-CH2 3.36Å; L35-W39 HydrophobicContact CD2-CZ2 3.6Å; L35-W39 HydrophobicContact CD2-CZ3 3.89Å; L35-W39 HydrophobicContact CG-CD2 4.05Å; L35-W39 HydrophobicContact CG-CE3 4.03Å; L35-W39 HydrophobicContact CG-CH2 3.73Å; L35-W39 HydrophobicContact CG-CZ2 3.77Å; L35-W39 HydrophobicContact CG-CZ3 3.88Å; L35-W39 PolarHBondContact O-N 2.96Å
36	E	78.7	Confident	77.3	Confident	90 Å²	90	81.4 Å²	81.4	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-58.4	-44.5	173.6	-65.2	-179.9	172.3	0	0	111.7	N31 D32 M38 W39 A40	N31-E36 PolarHBondContact OD1-OE1 2.7Å; D32-E36 PolarHBondContact O-N 2.72Å; E36-M38 PolarHBondContact O-N 3.4Å; E36-W39 PolarHBondContact O-N 3.46Å; E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.44Å
37	V	85.1	Confident	79.3	Confident	76 Å²	76	79 Å²	79	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.5	170.9	0	0	0	0	111.5	P33 R34 L35 A40 M41	P33-V37 VanDerWaalsContact O-CG2 3.3Å; P33-V37 WeakPolarHBondContact O-CG2 3.39Å; P33-V37 PolarHBondContact O-N 3.14Å; P33-V37 VanDerWaalsContact O-N 3.1Å; R34-V37 PolarHBondContact O-N 3.1Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.34Å; V37-A40 PolarHBondContact O-N 3.33Å; V37-M41 HydrophobicContact CG1-CE 3.67Å; V37-M41 HydrophobicContact CG1-CG 4.45Å; V37-M41 HydrophobicContact CG1-SD 4.15Å; V37-M41 WeakPolarHBondContact O-CG 3.39Å; V37-M41 PolarHBondContact O-N 2.8Å
38	M	85.4	Confident	81.3	Confident	68 Å²	68	75 Å²	75	34%	0.335	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-41	177.4	-72.4	-172.2	-67	0	0	112.3	A18 L22 R34 L35 E36 M41 K42	A18-M38 HydrophobicContact CB-SD 4.37Å; L22-M38 HydrophobicContact CD2-CB 4.02Å; R34-M38 WeakPolarHBondContact O-CG 3.41Å; R34-M38 PolarHBondContact O-N 3.29Å; L35-M38 HydrophobicContact CB-CE 4.49Å; L35-M38 HydrophobicContact CD1-CE 3.88Å; L35-M38 PolarHBondContact O-N 3.21Å; E36-M38 PolarHBondContact O-N 3.4Å; M38-M41 PolarHBondContact O-N 3.19Å; M38-K42 WeakPolarHBondContact O-CB 3.16Å; M38-K42 PolarHBondContact O-N 3.49Å
39	W	84.4	Confident	83.2	Confident	61 Å²	61	76.8 Å²	76.8	23%	0.231	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-45.1	173.5	-78.5	-40.2	0	0	0	111.8	L22 A26 L35 E36 K42 A43	L22-W39 HydrophobicContact CD2-CG 3.92Å; L22-W39 VanDerWaalsContact CD2-NE1 3.34Å; A26-W39 HydrophobicContact CB-CH2 3.81Å; A26-W39 HydrophobicContact CB-CZ3 4.36Å; L35-W39 HydrophobicContact CD1-CD2 4.48Å; L35-W39 HydrophobicContact CD1-CZ2 4.16Å; L35-W39 HydrophobicContact CD2-CH2 3.36Å; L35-W39 HydrophobicContact CD2-CZ2 3.6Å; L35-W39 HydrophobicContact CD2-CZ3 3.89Å; L35-W39 HydrophobicContact CG-CD2 4.05Å; L35-W39 HydrophobicContact CG-CE3 4.03Å; L35-W39 HydrophobicContact CG-CH2 3.73Å; L35-W39 HydrophobicContact CG-CZ2 3.77Å; L35-W39 HydrophobicContact CG-CZ3 3.88Å; L35-W39 PolarHBondContact O-N 2.96Å; E36-W39 PolarHBondContact O-N 3.46Å; W39-K42 PolarHBondContact O-N 3.07Å; W39-A43 VanDerWaalsContact O-CB 3.28Å; W39-A43 WeakPolarHBondContact O-CB 3.26Å; W39-A43 PolarHBondContact O-N 3.31Å
40	A	87.2	Confident	85.2	Confident	61 Å²	61	73.8 Å²	73.8	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-46.1	177.7	0	0	0	0	0	111.8	E36 V37 K42 A43 Y44	E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.44Å; V37-A40 PolarHBondContact O-N 3.33Å; A40-K42 PolarHBondContact O-N 2.87Å; A40-A43 PolarHBondContact O-N 3.4Å; A40-Y44 WeakPolarHBondContact O-CB 3.44Å; A40-Y44 PolarHBondContact O-N 2.82Å
41	M	90.1	Very high	87.2	Confident	118 Å²	118	71.6 Å²	71.6	58%	0.581	36%	0.36	S	S	*	.	H	α-helix	trans	-60.6	-45.6	176.3	-74	178.9	177.2	0	0	111.9	V37 M38 Y44 N45	V37-M41 HydrophobicContact CG1-CE 3.67Å; V37-M41 HydrophobicContact CG1-CG 4.45Å; V37-M41 HydrophobicContact CG1-SD 4.15Å; V37-M41 WeakPolarHBondContact O-CG 3.39Å; V37-M41 PolarHBondContact O-N 2.8Å; M38-M41 PolarHBondContact O-N 3.19Å; M41-Y44 PolarHBondContact O-N 3.44Å; M41-N45 WeakPolarHBondContact O-CB 3.31Å; M41-N45 PolarHBondContact O-N 3.33Å; M41-N45 PolarHBondContact O-ND2 3.49Å
42	K	91.3	Very high	88.9	Confident	70 Å²	70	68.9 Å²	68.9	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-36.7	-179.8	-174.5	172.9	164.2	-167	0	111.9	L22 M38 W39 A40 H46 Y117	L22-K42 HydrophobicContact CD1-CD 3.75Å; M38-K42 WeakPolarHBondContact O-CB 3.16Å; M38-K42 PolarHBondContact O-N 3.49Å; W39-K42 PolarHBondContact O-N 3.07Å; A40-K42 PolarHBondContact O-N 2.87Å; K42-H46 WeakPolarHBondContact O-CB 3.27Å; K42-H46 PolarHBondContact O-N 2.99Å; K42-Y117 VanDerWaalsContact CB-OH 3.23Å; K42-Y117 WeakPolarHBondContact CB-OH 3.33Å; K42-Y117 HydrophobicContact CD-CE1 4.49Å; K42-Y117 HydrophobicContact CD-CE2 4.16Å; K42-Y117 WeakPolarHBondContact CD-OH 3.43Å; K42-Y117 HydrophobicContact CG-CE1 4.43Å; K42-Y117 WeakPolarHBondContact CG-OH 3.44Å
43	A	93.2	Very high	89.9	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-38.7	174.8	0	0	0	0	0	112.1	W39 A40 H46 A47 L120	W39-A43 VanDerWaalsContact O-CB 3.28Å; W39-A43 WeakPolarHBondContact O-CB 3.26Å; W39-A43 PolarHBondContact O-N 3.31Å; A40-A43 PolarHBondContact O-N 3.4Å; A43-H46 PolarHBondContact O-N 2.92Å; A43-A47 PolarHBondContact O-N 3.14Å; A43-L120 HydrophobicContact CB-CD2 4.47Å; A43-L120 HydrophobicContact CB-CG 4Å
44	Y	93.3	Very high	90.7	Very high	123 Å²	123	65.7 Å²	65.7	48%	0.482	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-48.9	173.6	-176.1	-98.6	0	0	0	112	A40 M41 H46 A47 E48	A40-Y44 WeakPolarHBondContact O-CB 3.44Å; A40-Y44 PolarHBondContact O-N 2.82Å; M41-Y44 PolarHBondContact O-N 3.44Å; Y44-H46 VanDerWaalsContact C-N 3.27Å; Y44-H46 PolarHBondContact O-N 2.93Å; Y44-A47 WeakPolarHBondContact O-CA 3.35Å; Y44-A47 WeakPolarHBondContact O-CB 3.49Å; Y44-A47 PolarHBondContact O-N 3.17Å; Y44-E48 HydrophobicContact CD1-CG 4.2Å; Y44-E48 HydrophobicContact CE1-CG 3.78Å; Y44-E48 WeakPolarHBondContact CE1-OE2 3.37Å; Y44-E48 PolarHBondContact O-N 2.8Å
45	N	94.3	Very high	91.4	Very high	91 Å²	91	57.7 Å²	57.7	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-41.1	176.3	-69.9	-15.3	0	0	0	111.7	M41 E48 V49	M41-N45 WeakPolarHBondContact O-CB 3.31Å; M41-N45 PolarHBondContact O-N 3.33Å; M41-N45 PolarHBondContact O-ND2 3.49Å; N45-E48 PolarHBondContact O-N 3Å; N45-V49 WeakPolarHBondContact O-CB 3.13Å; N45-V49 VanDerWaalsContact O-CG2 3.27Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.68Å
46	H	96.1	Very high	92.1	Very high	48 Å²	48	61.5 Å²	61.5	22%	0.222	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-44.8	174.5	173.9	-88.2	0	0	0	111.9	K42 A43 Y44 V49 Y50 F142	K42-H46 WeakPolarHBondContact O-CB 3.27Å; K42-H46 PolarHBondContact O-N 2.99Å; A43-H46 PolarHBondContact O-N 2.92Å; Y44-H46 VanDerWaalsContact C-N 3.27Å; Y44-H46 PolarHBondContact O-N 2.93Å; H46-V49 PolarHBondContact O-N 2.73Å; H46-Y50 WeakPolarHBondContact O-CB 3.48Å; H46-Y50 PolarHBondContact O-N 2.89Å; H46-F142 AromaticContact CE1-CD1 3.78Å; H46-F142 AromaticContact CE1-CE1 3.49Å; H46-F142 VanDerWaalsContact CE1-CE1 3.49Å; H46-F142 WeakPolarHBondContact CE1-CE1 3.32Å; H46-F142 AromaticContact CE1-CE2 3.8Å; H46-F142 AromaticContact CE1-CZ 3.5Å; H46-F142 VanDerWaalsContact CE1-CZ 3.5Å; H46-F142 WeakPolarHBondContact CE1-CZ 3.39Å; H46-F142 AromaticContact NE2-CE1 3.98Å
47	A	96.8	Very high	92.8	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-45.4	177.2	0	0	0	0	0	112.3	A43 Y44 Y50 F51 L120 Y129	A43-A47 PolarHBondContact O-N 3.14Å; Y44-A47 WeakPolarHBondContact O-CA 3.35Å; Y44-A47 WeakPolarHBondContact O-CB 3.49Å; Y44-A47 PolarHBondContact O-N 3.17Å; A47-Y50 PolarHBondContact O-N 2.75Å; A47-F51 VanDerWaalsContact O-CB 3.27Å; A47-F51 WeakPolarHBondContact O-CB 3Å; A47-F51 PolarHBondContact O-N 2.91Å; A47-L120 HydrophobicContact CB-CB 4.11Å; A47-L120 HydrophobicContact CB-CD1 4.24Å; A47-Y129 HydrophobicContact CB-CD1 4.04Å; A47-Y129 HydrophobicContact CB-CD2 3.99Å; A47-Y129 HydrophobicContact CB-CE1 3.75Å; A47-Y129 HydrophobicContact CB-CE2 3.71Å; A47-Y129 HydrophobicContact CB-CG 4.14Å; A47-Y129 WeakPolarHBondContact O-CE2 3.27Å
48	E	95.9	Very high	93.2	Very high	86 Å²	86	59.2 Å²	59.2	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177.5	-70.4	-163.8	104.4	0	0	112.3	Y44 N45 Y50 F51 N52	Y44-E48 HydrophobicContact CD1-CG 4.2Å; Y44-E48 HydrophobicContact CE1-CG 3.78Å; Y44-E48 WeakPolarHBondContact CE1-OE2 3.37Å; Y44-E48 PolarHBondContact O-N 2.8Å; N45-E48 PolarHBondContact O-N 3Å; E48-Y50 VanDerWaalsContact C-N 3.33Å; E48-Y50 PolarHBondContact O-N 3.45Å; E48-F51 PolarHBondContact O-N 3.45Å; E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 VanDerWaalsContact O-CG 3.24Å; E48-N52 PolarHBondContact O-N 3.31Å; E48-N52 PolarHBondContact O-ND2 3.28Å
49	V	96.3	Very high	93.6	Very high	103 Å²	103	56 Å²	56	62%	0.624	30%	0.297	S	S	*	.	H	α-helix	trans	-59.7	-46.4	178.4	169.8	0	0	0	0	110.6	N45 H46 N52 L53	N45-V49 WeakPolarHBondContact O-CB 3.13Å; N45-V49 VanDerWaalsContact O-CG2 3.27Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.68Å; H46-V49 PolarHBondContact O-N 2.73Å; V49-N52 PolarHBondContact O-N 2.78Å; V49-L53 PolarHBondContact O-N 2.95Å
50	Y	96.8	Very high	94.1	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-44.6	178.3	176.9	-107.5	0	0	0	112.2	H46 A47 E48 N52 L53 I54 L64 F142 E146 N150 N155	H46-Y50 WeakPolarHBondContact O-CB 3.48Å; H46-Y50 PolarHBondContact O-N 2.89Å; A47-Y50 PolarHBondContact O-N 2.75Å; E48-Y50 VanDerWaalsContact C-N 3.33Å; E48-Y50 PolarHBondContact O-N 3.45Å; Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 2.85Å; Y50-L53 WeakPolarHBondContact O-CB 3Å; Y50-L53 PolarHBondContact O-N 3.33Å; Y50-L53 VanDerWaalsContact O-N 3.08Å; Y50-I54 HydrophobicContact CD2-CG2 4.39Å; Y50-I54 HydrophobicContact CE1-CD1 3.93Å; Y50-I54 HydrophobicContact CE1-CG2 4.02Å; Y50-I54 HydrophobicContact CE2-CG2 3.69Å; Y50-I54 VanDerWaalsContact CZ-CG2 3.45Å; Y50-I54 PolarHBondContact O-N 3.31Å; Y50-I54 VanDerWaalsContact O-N 3.07Å; Y50-I54 WeakPolarHBondContact OH-CG2 3.05Å; Y50-L64 HydrophobicContact CD2-CD2 4.33Å; Y50-L64 HydrophobicContact CE2-CD1 3.96Å; Y50-L64 HydrophobicContact CE2-CD2 3.85Å; Y50-F142 AromaticContact CD1-CE2 3.96Å; Y50-F142 HydrophobicContact CD1-CE2 3.96Å; Y50-F142 AromaticContact CD1-CZ 3.61Å; Y50-F142 HydrophobicContact CD1-CZ 3.61Å; Y50-F142 HydrophobicContact CD2-CE1 4.37Å; Y50-F142 AromaticContact CD2-CZ 3.76Å; Y50-F142 HydrophobicContact CD2-CZ 3.76Å; Y50-F142 HydrophobicContact CE1-CE2 4.25Å; Y50-F142 AromaticContact CE1-CZ 3.9Å; Y50-F142 HydrophobicContact CE1-CZ 3.9Å; Y50-F142 HydrophobicContact CE2-CZ 4.05Å; Y50-F142 HydrophobicContact CG-CE2 4.29Å; Y50-F142 AromaticContact CG-CZ 3.54Å; Y50-F142 HydrophobicContact CG-CZ 3.54Å; Y50-E146 HydrophobicContact CE1-CB 4.33Å; Y50-E146 HydrophobicContact CE1-CG 3.75Å; Y50-E146 HydrophobicContact CE2-CB 4.45Å; Y50-E146 WeakPolarHBondContact OH-CB 3.24Å; Y50-E146 PolarHBondContact OH-OE2 3.31Å; Y50-N150 PolarHBondContact OH-OD1 2.71Å; Y50-N155 PolarHBondContact OH-ND2 3.35Å; Y50-N155 VanDerWaalsContact OH-ND2 3.14Å
51	F	96.4	Very high	94.3	Very high	20 Å²	20	63.3 Å²	63.3	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-39.1	179.3	-166.8	-99.4	0	0	0	112	A47 E48 L53 I54 S55 D128 Y129 V158	A47-F51 VanDerWaalsContact O-CB 3.27Å; A47-F51 WeakPolarHBondContact O-CB 3Å; A47-F51 PolarHBondContact O-N 2.91Å; E48-F51 PolarHBondContact O-N 3.45Å; F51-L53 VanDerWaalsContact C-N 3.31Å; F51-L53 PolarHBondContact O-N 3.36Å; F51-I54 HydrophobicContact CD2-CD1 4.19Å; F51-I54 WeakPolarHBondContact O-CG1 3.23Å; F51-S55 WeakPolarHBondContact O-CB 3.14Å; F51-S55 PolarHBondContact O-N 2.87Å; F51-S55 VanDerWaalsContact O-N 3.1Å; F51-S55 PolarHBondContact O-OG 3.28Å; F51-D128 HydrophobicContact CZ-CB 4.32Å; F51-D128 WeakPolarHBondContact CZ-OD1 3.17Å; F51-Y129 HydrophobicContact CB-CD2 4.18Å; F51-Y129 HydrophobicContact CB-CE2 4.1Å; F51-Y129 HydrophobicContact CD2-CD2 4.14Å; F51-Y129 HydrophobicContact CD2-CE2 4.26Å; F51-Y129 HydrophobicContact CG-CD2 4.36Å; F51-V158 HydrophobicContact CE2-CG1 3.87Å; F51-V158 HydrophobicContact CE2-CG2 4.47Å; F51-V158 HydrophobicContact CZ-CG1 3.82Å
52	N	95.2	Very high	94.5	Very high	93 Å²	93	59 Å²	59	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-37.5	173.4	-73.4	-26.7	0	0	0	112	E48 V49 Y50 S55 S56	E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 VanDerWaalsContact O-CG 3.24Å; E48-N52 PolarHBondContact O-N 3.31Å; E48-N52 PolarHBondContact O-ND2 3.28Å; V49-N52 PolarHBondContact O-N 2.78Å; Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 2.85Å; N52-S55 VanDerWaalsContact CA-OG 3.29Å; N52-S55 WeakPolarHBondContact CA-OG 3.16Å; N52-S55 PolarHBondContact O-OG 2.87Å; N52-S56 VanDerWaalsContact O-CB 3.23Å; N52-S56 WeakPolarHBondContact O-CB 3.32Å; N52-S56 PolarHBondContact O-N 3.3Å; N52-S56 VanDerWaalsContact O-N 3.11Å; N52-S56 PolarHBondContact O-OG 3.17Å
53	L	94.6	Very high	94.7	Very high	70 Å²	70	64 Å²	64	37%	0.366	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-55.1	178	-172.7	66.5	0	0	0	111.2	V49 Y50 F51 S55 S56 V57 L62	V49-L53 PolarHBondContact O-N 2.95Å; Y50-L53 WeakPolarHBondContact O-CB 3Å; Y50-L53 PolarHBondContact O-N 3.33Å; Y50-L53 VanDerWaalsContact O-N 3.08Å; F51-L53 VanDerWaalsContact C-N 3.31Å; F51-L53 PolarHBondContact O-N 3.36Å; L53-S55 PolarHBondContact O-N 2.88Å; L53-S56 PolarHBondContact O-N 2.68Å; L53-S56 VanDerWaalsContact O-N 3.14Å; L53-V57 HydrophobicContact CD1-CG2 3.87Å; L53-V57 HydrophobicContact CG-CG2 4.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.85Å; L53-L62 HydrophobicContact CD1-CD2 3.8Å; L53-L62 HydrophobicContact CD2-CD1 3.86Å; L53-L62 HydrophobicContact CD2-CD2 3.69Å; L53-L62 HydrophobicContact CD2-CG 4.34Å; L53-L62 HydrophobicContact CG-CD1 3.73Å; L53-L62 HydrophobicContact CG-CD2 3.6Å; L53-L62 HydrophobicContact CG-CG 4.31Å
54	I	95.7	Very high	94.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-17.8	-179.1	63.3	171.5	0	0	0	114	Y50 F51 P59 L62 V158 F159	Y50-I54 HydrophobicContact CD2-CG2 4.39Å; Y50-I54 HydrophobicContact CE1-CD1 3.93Å; Y50-I54 HydrophobicContact CE1-CG2 4.02Å; Y50-I54 HydrophobicContact CE2-CG2 3.69Å; Y50-I54 VanDerWaalsContact CZ-CG2 3.45Å; Y50-I54 PolarHBondContact O-N 3.31Å; Y50-I54 VanDerWaalsContact O-N 3.07Å; Y50-I54 WeakPolarHBondContact OH-CG2 3.05Å; F51-I54 HydrophobicContact CD2-CD1 4.19Å; F51-I54 WeakPolarHBondContact O-CG1 3.23Å; I54-P59 HydrophobicContact CB-CG 4.2Å; I54-P59 HydrophobicContact CG2-CB 4.5Å; I54-L62 HydrophobicContact CG2-CD1 3.69Å; I54-V158 HydrophobicContact CD1-CB 4.33Å; I54-V158 HydrophobicContact CD1-CG1 4.13Å; I54-V158 HydrophobicContact CD1-CG2 4.33Å; I54-V158 HydrophobicContact CG1-CG1 4.09Å; I54-F159 WeakPolarHBondContact O-CA 3.03Å; I54-F159 WeakPolarHBondContact O-CB 3.32Å
55	S	94.7	Very high	94.9	Very high	12 Å²	12	61 Å²	61	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-87.1	-21.8	174.2	51.1	0	0	0	0	113.5	F51 N52 L53	F51-S55 WeakPolarHBondContact O-CB 3.14Å; F51-S55 PolarHBondContact O-N 2.87Å; F51-S55 VanDerWaalsContact O-N 3.1Å; F51-S55 PolarHBondContact O-OG 3.28Å; N52-S55 VanDerWaalsContact CA-OG 3.29Å; N52-S55 WeakPolarHBondContact CA-OG 3.16Å; N52-S55 PolarHBondContact O-OG 2.87Å; L53-S55 PolarHBondContact O-N 2.88Å
56	S	92.5	Very high	95	Very high	87 Å²	87	66.8 Å²	66.8	61%	0.608	33%	0.334	S	S	*	.	H	α-helix	trans	-102	-28	-173.7	-56.7	0	0	0	0	113.6	N52 L53	N52-S56 VanDerWaalsContact O-CB 3.23Å; N52-S56 WeakPolarHBondContact O-CB 3.32Å; N52-S56 PolarHBondContact O-N 3.3Å; N52-S56 VanDerWaalsContact O-N 3.11Å; N52-S56 PolarHBondContact O-OG 3.17Å; L53-S56 PolarHBondContact O-N 2.68Å; L53-S56 VanDerWaalsContact O-N 3.14Å
57	V	92.5	Very high	95.1	Very high	65 Å²	65	66 Å²	66	39%	0.394	33%	0.332	S	S	.	.	S	Bend	trans	-129.8	154.2	179.2	-64.1	0	0	0	0	110.8	L53 P59 L62 F159	L53-V57 HydrophobicContact CD1-CG2 3.87Å; L53-V57 HydrophobicContact CG-CG2 4.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.85Å; V57-P59 VanDerWaalsContact O-CD 3.28Å; V57-P59 WeakPolarHBondContact O-CD 3.36Å; V57-L62 HydrophobicContact CG2-CD1 4.37Å; V57-L62 HydrophobicContact CG2-CD2 3.52Å; V57-L62 HydrophobicContact CG2-CG 4.15Å; V57-F159 VanDerWaalsContact C-CD2 3.5Å; V57-F159 VanDerWaalsContact C-CE2 3.45Å; V57-F159 WeakPolarHBondContact O-CD2 3.45Å
58	D	94	Very high	95.2	Very high	52 Å²	52	66.3 Å²	66.3	28%	0.278	33%	0.334	S	S	.	.			trans	-61.1	117.3	179.5	178.9	-20.2	0	0	0	109.8	K60 F61 F159	D58-K60 PolarHBondContact O-N 2.98Å; D58-K60 VanDerWaalsContact O-N 3.1Å; D58-K60 WeakPolarHBondContact OD1-CB 3.24Å; D58-K60 PolarHBondContact OD1-N 3.47Å; D58-F61 HydrophobicContact CB-CD2 3.83Å; D58-F61 HydrophobicContact CB-CE2 4.18Å; D58-F61 PolarHBondContact O-N 2.78Å; D58-F159 HydrophobicContact CB-CD1 4.36Å; D58-F159 HydrophobicContact CB-CE1 3.92Å; D58-F159 HydrophobicContact CB-CZ 4.13Å
59	P	95.2	Very high	95.3	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-59.4	-25	-173.1	-25.3	34.8	0	0	0	114.3	I54 V57 F61 L62 N150 N155 F159	I54-P59 HydrophobicContact CB-CG 4.2Å; I54-P59 HydrophobicContact CG2-CB 4.5Å; V57-P59 VanDerWaalsContact O-CD 3.28Å; V57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-F61 PolarHBondContact O-N 3.14Å; P59-L62 HydrophobicContact CB-CD1 4.45Å; P59-L62 WeakPolarHBondContact O-CB 3.49Å; P59-L62 PolarHBondContact O-N 2.85Å; P59-L62 VanDerWaalsContact O-N 3.1Å; P59-N150 HydrophobicContact CB-CB 4.2Å; P59-N150 WeakPolarHBondContact CB-OD1 3.41Å; P59-N150 WeakPolarHBondContact O-CB 3.44Å; P59-N155 HydrophobicContact CB-CB 4.01Å; P59-N155 HydrophobicContact CG-CB 3.97Å; P59-F159 HydrophobicContact CG-CB 4.26Å
60	K	93.4	Very high	95.4	Very high	109 Å²	109	66.5 Å²	66.5	47%	0.474	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22.8	-179.1	-70.5	174.2	-174.7	157.7	0	113.5	D58 N150 D156	D58-K60 PolarHBondContact O-N 2.98Å; D58-K60 VanDerWaalsContact O-N 3.1Å; D58-K60 WeakPolarHBondContact OD1-CB 3.24Å; D58-K60 PolarHBondContact OD1-N 3.47Å; K60-N150 WeakPolarHBondContact CG-O 3.21Å; K60-D156 WeakPolarHBondContact CE-OD2 3.5Å; K60-D156 IonicContact NZ-OD2 2.71Å; K60-D156 PolarHBondContact NZ-OD2 3.35Å
61	F	91.6	Very high	95.4	Very high	167 Å²	167	66 Å²	66	73%	0.732	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-95.6	-2.6	178.5	-59.3	-74.2	0	0	0	113.2	D58 P59	D58-F61 HydrophobicContact CB-CD2 3.83Å; D58-F61 HydrophobicContact CB-CE2 4.18Å; D58-F61 PolarHBondContact O-N 2.78Å; P59-F61 PolarHBondContact O-N 3.14Å
62	L	94.6	Very high	95.5	Very high	28 Å²	28	67.9 Å²	67.9	15%	0.147	34%	0.336	C	S	.	.			trans	-75.5	130.2	178.8	-67	179.5	0	0	0	111.2	L53 I54 V57 P59 L64	L53-L62 HydrophobicContact CD1-CD2 3.8Å; L53-L62 HydrophobicContact CD2-CD1 3.86Å; L53-L62 HydrophobicContact CD2-CD2 3.69Å; L53-L62 HydrophobicContact CD2-CG 4.34Å; L53-L62 HydrophobicContact CG-CD1 3.73Å; L53-L62 HydrophobicContact CG-CD2 3.6Å; L53-L62 HydrophobicContact CG-CG 4.31Å; I54-L62 HydrophobicContact CG2-CD1 3.69Å; V57-L62 HydrophobicContact CG2-CD1 4.37Å; V57-L62 HydrophobicContact CG2-CD2 3.52Å; V57-L62 HydrophobicContact CG2-CG 4.15Å; P59-L62 HydrophobicContact CB-CD1 4.45Å; P59-L62 WeakPolarHBondContact O-CB 3.49Å; P59-L62 PolarHBondContact O-N 2.85Å; P59-L62 VanDerWaalsContact O-N 3.1Å; L62-L64 HydrophobicContact CB-CD2 4.34Å
63	K	94.8	Very high	95.7	Very high	174 Å²	174	66.5 Å²	66.5	76%	0.757	33%	0.334	S	S	*	.			trans	-107.3	118	165.8	-69.5	-167.2	173.7	-168.5	0	109.2	D68	K63-D68 VanDerWaalsContact CA-OD2 3.26Å; K63-D68 WeakPolarHBondContact CA-OD2 3.35Å
64	L	95.8	Very high	95.9	Very high	34 Å²	34	63.9 Å²	63.9	18%	0.178	32%	0.321	C	S	.	.			trans	-88.1	-29.5	-176.9	-55	-169.9	0	0	0	111.8	Y50 L62 D68 F142 F143 E146 I147	Y50-L64 HydrophobicContact CD2-CD2 4.33Å; Y50-L64 HydrophobicContact CE2-CD1 3.96Å; Y50-L64 HydrophobicContact CE2-CD2 3.85Å; L62-L64 HydrophobicContact CB-CD2 4.34Å; L64-D68 PolarHBondContact N-OD1 3.29Å; L64-D68 PolarHBondContact N-OD2 2.92Å; L64-F142 HydrophobicContact CD1-CE1 4.32Å; L64-F143 HydrophobicContact CB-CD1 3.69Å; L64-F143 HydrophobicContact CB-CE1 3.77Å; L64-F143 HydrophobicContact CD1-CD1 4.14Å; L64-E146 HydrophobicContact CD1-CB 3.87Å; L64-I147 HydrophobicContact CB-CG1 4.31Å; L64-I147 HydrophobicContact CD1-CG1 3.97Å; L64-I147 HydrophobicContact CG-CG1 4.2Å
65	T	96.1	Very high	96	Very high	31 Å²	31	63.9 Å²	63.9	19%	0.19	32%	0.321	C	S	.	.	S	Bend	trans	-147.2	171.1	172.9	-179.7	0	0	0	0	111.6	V67 D68 I71 F143	T65-V67 HydrophobicContact CG2-CG2 3.88Å; T65-V67 PolarHBondContact O-N 2.71Å; T65-D68 WeakPolarHBondContact CA-OD1 3.36Å; T65-D68 WeakPolarHBondContact CG2-OD1 3.23Å; T65-D68 PolarHBondContact N-OD1 3.42Å; T65-D68 VanDerWaalsContact O-OD1 3.11Å; T65-I71 HydrophobicContact CG2-CD1 3.54Å; T65-F143 HydrophobicContact CG2-CD2 4.13Å; T65-F143 HydrophobicContact CG2-CE2 4.32Å; T65-F143 HydrophobicContact CG2-CG 4.47Å
66	K	96.7	Very high	96.2	Very high	213 Å²	213	65.7 Å²	65.7	93%	0.926	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.3	177.3	-65.6	179.8	-177.4	170.7	0	112.8
67	V	97.6	Very high	96.4	Very high	31 Å²	31	68.2 Å²	68.2	19%	0.188	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	26.6	-173.7	-64.4	0	0	0	0	112.9	T65 D69 Q70 I71 I111 V112	T65-V67 HydrophobicContact CG2-CG2 3.88Å; T65-V67 PolarHBondContact O-N 2.71Å; V67-D69 PolarHBondContact O-N 2.71Å; V67-Q70 HydrophobicContact CB-CB 4.32Å; V67-Q70 PolarHBondContact O-N 3.43Å; V67-Q70 VanDerWaalsContact O-N 3.07Å; V67-I71 HydrophobicContact CG2-CD1 3.95Å; V67-I71 HydrophobicContact CG2-CG1 4.15Å; V67-I71 PolarHBondContact O-N 3.02Å; V67-I111 HydrophobicContact CB-CG2 4.47Å; V67-I111 HydrophobicContact CG1-CG2 3.88Å; V67-I111 HydrophobicContact CG2-CG2 4.14Å; V67-V112 HydrophobicContact CG2-CG2 3.86Å
68	D	98.2	Very high	96.7	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-53	-41.6	-177.8	-82.7	11.8	0	0	0	113.1	K63 L64 T65 I71 Y72 I147	K63-D68 VanDerWaalsContact CA-OD2 3.26Å; K63-D68 WeakPolarHBondContact CA-OD2 3.35Å; L64-D68 PolarHBondContact N-OD1 3.29Å; L64-D68 PolarHBondContact N-OD2 2.92Å; T65-D68 WeakPolarHBondContact CA-OD1 3.36Å; T65-D68 WeakPolarHBondContact CG2-OD1 3.23Å; T65-D68 PolarHBondContact N-OD1 3.42Å; T65-D68 VanDerWaalsContact O-OD1 3.11Å; D68-I71 PolarHBondContact O-N 3.02Å; D68-Y72 WeakPolarHBondContact O-CB 3.41Å; D68-Y72 PolarHBondContact O-N 3.48Å; D68-I147 HydrophobicContact CB-CD1 3.94Å; D68-I147 HydrophobicContact CB-CG1 4.43Å; D68-I147 HydrophobicContact CB-CG2 4.34Å; D68-I147 VanDerWaalsContact OD1-CD1 3.23Å; D68-I147 WeakPolarHBondContact OD1-CD1 3.34Å
69	D	98.1	Very high	96.9	Very high	98 Å²	98	66.8 Å²	66.8	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-44.6	179.4	-67.7	-39.5	0	0	0	111.6	V67 Y72 S73 R151	V67-D69 PolarHBondContact O-N 2.71Å; D69-Y72 PolarHBondContact O-N 3.37Å; D69-S73 WeakPolarHBondContact O-CB 3.21Å; D69-S73 PolarHBondContact O-N 2.96Å; D69-S73 PolarHBondContact O-OG 3.03Å; D69-R151 IonicContact OD1-CZ 2.72Å; D69-R151 IonicContact OD1-NH1 3.97Å; D69-R151 PolarHBondContact OD1-NH1 3.06Å; D69-R151 IonicContact OD1-NH2 3.14Å; D69-R151 PolarHBondContact OD1-NH2 2.92Å
70	Q	98.3	Very high	96.9	Very high	96 Å²	96	74 Å²	74	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-43.5	178.1	-173.8	-174.7	-9.2	0	0	111.3	V67 S74 F108	V67-Q70 HydrophobicContact CB-CB 4.32Å; V67-Q70 PolarHBondContact O-N 3.43Å; V67-Q70 VanDerWaalsContact O-N 3.07Å; Q70-S74 WeakPolarHBondContact O-CB 3.33Å; Q70-S74 PolarHBondContact O-N 2.99Å; Q70-F108 HydrophobicContact CG-CE1 4.12Å
71	I	98.5	Very high	96.9	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-49.4	177	-68.6	175.9	0	0	0	110.1	T65 V67 D68 S74 F75 F108 V112 F143 A144 I147	T65-I71 HydrophobicContact CG2-CD1 3.54Å; V67-I71 HydrophobicContact CG2-CD1 3.95Å; V67-I71 HydrophobicContact CG2-CG1 4.15Å; V67-I71 PolarHBondContact O-N 3.02Å; D68-I71 PolarHBondContact O-N 3.02Å; I71-S74 PolarHBondContact O-N 2.81Å; I71-F75 WeakPolarHBondContact O-CB 3.48Å; I71-F75 PolarHBondContact O-N 3.28Å; I71-F108 HydrophobicContact CB-CE1 4.43Å; I71-F108 HydrophobicContact CB-CZ 4.24Å; I71-F108 HydrophobicContact CG1-CD1 4.01Å; I71-F108 HydrophobicContact CG1-CE1 3.53Å; I71-F108 HydrophobicContact CG1-CE2 4.3Å; I71-F108 HydrophobicContact CG1-CZ 3.72Å; I71-V112 HydrophobicContact CD1-CG2 4.07Å; I71-F143 HydrophobicContact CD1-CB 4.07Å; I71-F143 HydrophobicContact CD1-CD2 4.31Å; I71-A144 HydrophobicContact CG2-CB 3.96Å; I71-I147 HydrophobicContact CB-CD1 4.15Å; I71-I147 HydrophobicContact CD1-CD1 4.32Å; I71-I147 HydrophobicContact CG2-CD1 3.98Å
72	Y	98.5	Very high	97.2	Very high	59 Å²	59	69.6 Å²	69.6	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-47	-177.8	179.5	-106.2	0	0	0	112.4	D68 D69 F75 R76 I147 A148 R151 E152	D68-Y72 WeakPolarHBondContact O-CB 3.41Å; D68-Y72 PolarHBondContact O-N 3.48Å; D69-Y72 PolarHBondContact O-N 3.37Å; Y72-F75 PolarHBondContact O-N 3.09Å; Y72-R76 HydrophobicContact CD2-CG 4.35Å; Y72-R76 HydrophobicContact CE2-CG 3.83Å; Y72-R76 PolarHBondContact O-N 3.31Å; Y72-I147 HydrophobicContact CD2-CG2 4.32Å; Y72-I147 HydrophobicContact CG-CG2 4.44Å; Y72-A148 HydrophobicContact CD2-CB 4.1Å; Y72-A148 HydrophobicContact CE2-CB 3.97Å; Y72-R151 HydrophobicContact CE2-CB 4.4Å; Y72-E152 WeakPolarHBondContact CE2-OE1 3.47Å; Y72-E152 PolarHBondContact OH-OE1 3.05Å
73	S	98.4	Very high	97.4	Very high	63 Å²	63	72.3 Å²	72.3	44%	0.441	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-51.2	177.6	-70.9	0	0	0	0	111.4	D69 F75 R76 E77	D69-S73 WeakPolarHBondContact O-CB 3.21Å; D69-S73 PolarHBondContact O-N 2.96Å; D69-S73 PolarHBondContact O-OG 3.03Å; S73-F75 VanDerWaalsContact C-N 3.29Å; S73-F75 PolarHBondContact O-N 3.24Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-E77 WeakPolarHBondContact O-CG 3.48Å; S73-E77 PolarHBondContact O-N 2.89Å
74	S	98.3	Very high	97.5	Very high	16 Å²	16	64 Å²	64	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-36.6	178.8	-176.1	0	0	0	0	112.3	Q70 I71 E77 T78 Q107	Q70-S74 WeakPolarHBondContact O-CB 3.33Å; Q70-S74 PolarHBondContact O-N 2.99Å; I71-S74 PolarHBondContact O-N 2.81Å; S74-E77 PolarHBondContact O-N 2.55Å; S74-T78 WeakPolarHBondContact O-CB 3.49Å; S74-T78 PolarHBondContact O-N 3.29Å; S74-T78 PolarHBondContact O-OG1 2.97Å; S74-Q107 PolarHBondContact OG-NE2 3.07Å; S74-Q107 PolarHBondContact OG-OE1 3.28Å
75	F	98.6	Very high	97.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-49	177.5	172.5	-108.7	0	0	0	110.7	I71 Y72 S73 E77 T78 F79 L82 V84 W101 F104 A144 A148	I71-F75 WeakPolarHBondContact O-CB 3.48Å; I71-F75 PolarHBondContact O-N 3.28Å; Y72-F75 PolarHBondContact O-N 3.09Å; S73-F75 VanDerWaalsContact C-N 3.29Å; S73-F75 PolarHBondContact O-N 3.24Å; F75-E77 VanDerWaalsContact C-N 3.33Å; F75-E77 PolarHBondContact O-N 3.19Å; F75-T78 PolarHBondContact O-N 3.4Å; F75-F79 HydrophobicContact CD2-CB 4.11Å; F75-F79 AromaticContact CD2-CD2 3.37Å; F75-F79 HydrophobicContact CD2-CD2 3.37Å; F75-F79 HydrophobicContact CD2-CE2 4.08Å; F75-F79 HydrophobicContact CD2-CG 4.05Å; F75-F79 HydrophobicContact CE2-CB 3.71Å; F75-F79 AromaticContact CE2-CD2 3.54Å; F75-F79 HydrophobicContact CE2-CD2 3.54Å; F75-F79 HydrophobicContact CE2-CE2 4.33Å; F75-F79 AromaticContact CE2-CG 3.78Å; F75-F79 HydrophobicContact CE2-CG 3.78Å; F75-F79 HydrophobicContact CG-CD2 4.38Å; F75-F79 HydrophobicContact CZ-CB 4.1Å; F75-F79 WeakPolarHBondContact O-CA 3.49Å; F75-F79 WeakPolarHBondContact O-CB 3.3Å; F75-F79 PolarHBondContact O-N 3.43Å; F75-L82 HydrophobicContact CE2-CD2 4.03Å; F75-L82 HydrophobicContact CZ-CD2 3.96Å; F75-V84 HydrophobicContact CE1-CG1 3.68Å; F75-V84 HydrophobicContact CZ-CG1 3.57Å; F75-W101 HydrophobicContact CD2-CH2 4.05Å; F75-W101 HydrophobicContact CD2-CZ3 4.4Å; F75-W101 AromaticContact CE2-CH2 3.61Å; F75-W101 HydrophobicContact CE2-CH2 3.61Å; F75-W101 HydrophobicContact CE2-CZ2 4.27Å; F75-W101 HydrophobicContact CE2-CZ3 4.39Å; F75-F104 HydrophobicContact CB-CE2 4.01Å; F75-F104 HydrophobicContact CB-CZ 3.87Å; F75-F104 HydrophobicContact CD2-CZ 4.31Å; F75-A144 HydrophobicContact CB-CB 4.16Å; F75-A144 HydrophobicContact CD2-CB 3.7Å; F75-A144 HydrophobicContact CE2-CB 4.35Å; F75-A144 HydrophobicContact CG-CB 3.97Å; F75-A148 HydrophobicContact CD1-CB 3.97Å; F75-A148 HydrophobicContact CE1-CB 3.68Å
76	R	98.3	Very high	97.7	Very high	50 Å²	50	70.4 Å²	70.4	19%	0.189	34%	0.339	C	S	.	.	H	α-helix	trans	-74.4	-20.3	179.4	-72.1	-61	-175.4	-169.2	-2.8	113.9	Y72 S73 F79 K80 L82 E152	Y72-R76 HydrophobicContact CD2-CG 4.35Å; Y72-R76 HydrophobicContact CE2-CG 3.83Å; Y72-R76 PolarHBondContact O-N 3.31Å; S73-R76 PolarHBondContact O-N 3.38Å; R76-F79 PolarHBondContact NH1-O 3.21Å; R76-K80 WeakPolarHBondContact O-CG 3.38Å; R76-L82 PolarHBondContact NH1-O 2.97Å; R76-E152 IonicContact CZ-OE1 3.38Å; R76-E152 IonicContact CZ-OE2 3Å; R76-E152 IonicContact NE-OE1 2.75Å; R76-E152 PolarHBondContact NE-OE1 3.46Å; R76-E152 IonicContact NH2-OE1 3.09Å; R76-E152 PolarHBondContact NH2-OE1 2.75Å; R76-E152 IonicContact NH2-OE2 3.12Å; R76-E152 PolarHBondContact NH2-OE2 3.35Å
77	E	98.1	Very high	97.7	Very high	139 Å²	139	60.8 Å²	60.8	65%	0.65	30%	0.298	S	S	*	.	H	α-helix	trans	-70.1	-41.7	166.8	-76.1	172.9	-172.9	0	0	112.2	S73 S74 F75 K80	S73-E77 WeakPolarHBondContact O-CG 3.48Å; S73-E77 PolarHBondContact O-N 2.89Å; S74-E77 PolarHBondContact O-N 2.55Å; F75-E77 VanDerWaalsContact C-N 3.33Å; F75-E77 PolarHBondContact O-N 3.19Å; E77-K80 VanDerWaalsContact O-CE 3.3Å; E77-K80 WeakPolarHBondContact O-CE 3.49Å
78	T	97.9	Very high	97.7	Very high	65 Å²	65	65.1 Å²	65.1	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-81.6	-41.5	-175.8	-54	0	0	0	0	112.4	S74 F75 T100 F104	S74-T78 WeakPolarHBondContact O-CB 3.49Å; S74-T78 PolarHBondContact O-N 3.29Å; S74-T78 PolarHBondContact O-OG1 2.97Å; F75-T78 PolarHBondContact O-N 3.4Å; T78-T100 HydrophobicContact CG2-CG2 3.65Å; T78-F104 HydrophobicContact CG2-CD2 4.45Å
79	F	97.6	Very high	97.5	Very high	23 Å²	23	69.7 Å²	69.7	10%	0.101	34%	0.335	C	S	.	.			trans	-120.2	58.9	-172.4	-57.6	-83.7	0	0	0	110.7	F75 R76 D81 L82 T100 W101 F104	F75-F79 HydrophobicContact CD2-CB 4.11Å; F75-F79 AromaticContact CD2-CD2 3.37Å; F75-F79 HydrophobicContact CD2-CD2 3.37Å; F75-F79 HydrophobicContact CD2-CE2 4.08Å; F75-F79 HydrophobicContact CD2-CG 4.05Å; F75-F79 HydrophobicContact CE2-CB 3.71Å; F75-F79 AromaticContact CE2-CD2 3.54Å; F75-F79 HydrophobicContact CE2-CD2 3.54Å; F75-F79 HydrophobicContact CE2-CE2 4.33Å; F75-F79 AromaticContact CE2-CG 3.78Å; F75-F79 HydrophobicContact CE2-CG 3.78Å; F75-F79 HydrophobicContact CG-CD2 4.38Å; F75-F79 HydrophobicContact CZ-CB 4.1Å; F75-F79 WeakPolarHBondContact O-CA 3.49Å; F75-F79 WeakPolarHBondContact O-CB 3.3Å; F75-F79 PolarHBondContact O-N 3.43Å; R76-F79 PolarHBondContact NH1-O 3.21Å; F79-D81 VanDerWaalsContact C-N 3.3Å; F79-D81 PolarHBondContact O-N 2.88Å; F79-L82 HydrophobicContact CB-CB 3.85Å; F79-L82 HydrophobicContact CB-CD2 4.25Å; F79-L82 HydrophobicContact CD1-CD2 4.19Å; F79-L82 HydrophobicContact CG-CD2 4.35Å; F79-L82 PolarHBondContact O-N 2.93Å; F79-T100 HydrophobicContact CD1-CG2 4.44Å; F79-T100 HydrophobicContact CE1-CG2 3.62Å; F79-T100 HydrophobicContact CZ-CG2 3.71Å; F79-W101 HydrophobicContact CD1-CZ2 4.39Å; F79-W101 HydrophobicContact CD2-CH2 4.36Å; F79-W101 HydrophobicContact CD2-CZ3 4.47Å; F79-W101 AromaticContact CE1-CD2 3.96Å; F79-W101 HydrophobicContact CE1-CD2 3.96Å; F79-W101 AromaticContact CE1-CE2 3.65Å; F79-W101 HydrophobicContact CE1-CE3 4.48Å; F79-W101 HydrophobicContact CE1-CG 4.35Å; F79-W101 AromaticContact CE1-CZ2 3.98Å; F79-W101 HydrophobicContact CE1-CZ2 3.98Å; F79-W101 AromaticContact CE1-NE1 3.82Å; F79-W101 HydrophobicContact CE2-CD2 4.09Å; F79-W101 AromaticContact CE2-CE3 3.78Å; F79-W101 HydrophobicContact CE2-CE3 3.78Å; F79-W101 AromaticContact CE2-CH2 3.97Å; F79-W101 HydrophobicContact CE2-CH2 3.97Å; F79-W101 HydrophobicContact CE2-CZ2 4.23Å; F79-W101 AromaticContact CE2-CZ3 3.73Å; F79-W101 HydrophobicContact CE2-CZ3 3.73Å; F79-W101 AromaticContact CZ-CD2 3.38Å; F79-W101 HydrophobicContact CZ-CD2 3.38Å; F79-W101 AromaticContact CZ-CE2 3.54Å; F79-W101 AromaticContact CZ-CE3 3.55Å; F79-W101 HydrophobicContact CZ-CE3 3.55Å; F79-W101 AromaticContact CZ-CG 3.93Å; F79-W101 HydrophobicContact CZ-CG 3.93Å; F79-W101 HydrophobicContact CZ-CH2 4.08Å; F79-W101 AromaticContact CZ-CZ2 3.9Å; F79-W101 HydrophobicContact CZ-CZ2 3.9Å; F79-W101 AromaticContact CZ-CZ3 3.9Å; F79-W101 HydrophobicContact CZ-CZ3 3.9Å; F79-F104 HydrophobicContact CE2-CB 4.11Å; F79-F104 HydrophobicContact CE2-CD1 4.07Å; F79-F104 HydrophobicContact CE2-CD2 4.01Å; F79-F104 AromaticContact CE2-CG 3.75Å; F79-F104 HydrophobicContact CE2-CG 3.75Å; F79-F104 HydrophobicContact CZ-CB 4.45Å; F79-F104 HydrophobicContact CZ-CG 4.5Å
80	K	95.6	Very high	97.4	Very high	152 Å²	152	70.2 Å²	70.2	66%	0.661	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-46	-175.2	-67.5	177.3	-177	-177.8	0	112.9	R76 E77	R76-K80 WeakPolarHBondContact O-CG 3.38Å; E77-K80 VanDerWaalsContact O-CE 3.3Å; E77-K80 WeakPolarHBondContact O-CE 3.49Å
81	D	94.1	Very high	97.3	Very high	159 Å²	159	68 Å²	68	85%	0.85	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	7.5	-171	-51.6	-50.7	0	0	0	113.3	F79 D83	F79-D81 VanDerWaalsContact C-N 3.3Å; F79-D81 PolarHBondContact O-N 2.88Å; D81-D83 PolarHBondContact O-N 3.32Å
82	L	97.8	Very high	97	Very high	24 Å²	24	68.4 Å²	68.4	13%	0.126	33%	0.328	C	S	.	.			trans	-69.7	122	179.7	-176.1	64.8	0	0	0	109.9	F75 R76 F79 V84 L87 D91 W101	F75-L82 HydrophobicContact CE2-CD2 4.03Å; F75-L82 HydrophobicContact CZ-CD2 3.96Å; R76-L82 PolarHBondContact NH1-O 2.97Å; F79-L82 HydrophobicContact CB-CB 3.85Å; F79-L82 HydrophobicContact CB-CD2 4.25Å; F79-L82 HydrophobicContact CD1-CD2 4.19Å; F79-L82 HydrophobicContact CG-CD2 4.35Å; F79-L82 PolarHBondContact O-N 2.93Å; L82-V84 PolarHBondContact O-N 3Å; L82-V84 VanDerWaalsContact O-N 3.12Å; L82-L87 HydrophobicContact CD1-CD2 3.95Å; L82-L87 HydrophobicContact CD2-CD2 4.03Å; L82-L87 HydrophobicContact CG-CD2 3.96Å; L82-D91 HydrophobicContact CD1-CB 3.77Å; L82-W101 HydrophobicContact CD2-CZ2 3.91Å
83	D	97.8	Very high	96.6	Very high	85 Å²	85	70 Å²	70	46%	0.455	34%	0.336	S	S	.	.			trans	-75.5	96.9	174.4	-177.2	2.4	0	0	0	109.9	D81 K85 R86 L87	D81-D83 PolarHBondContact O-N 3.32Å; D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.38Å; D83-K85 WeakPolarHBondContact OD1-CA 3.19Å; D83-K85 WeakPolarHBondContact OD1-CB 3.3Å; D83-K85 PolarHBondContact OD1-N 3.4Å; D83-R86 CarbonylContact O-C 3.46Å; D83-R86 PolarHBondContact OD1-N 3.42Å; D83-L87 WeakPolarHBondContact O-CD2 3.38Å
84	V	98	Very high	96.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-74	-17.1	177.6	-61.4	0	0	0	0	112.4	F75 L82 V145 A148 R149	F75-V84 HydrophobicContact CE1-CG1 3.68Å; F75-V84 HydrophobicContact CZ-CG1 3.57Å; L82-V84 PolarHBondContact O-N 3Å; L82-V84 VanDerWaalsContact O-N 3.12Å; V84-V145 HydrophobicContact CB-CG1 4.4Å; V84-A148 HydrophobicContact CG1-CB 4.15Å; V84-A148 HydrophobicContact CG2-CB 4.31Å; V84-R149 HydrophobicContact CB-CG 4.15Å; V84-R149 HydrophobicContact CG2-CG 4.1Å; V84-R149 VanDerWaalsContact O-CZ 3.23Å; V84-R149 PolarHBondContact O-NE 2.81Å; V84-R149 PolarHBondContact O-NH2 2.89Å
85	K	97.9	Very high	96.2	Very high	61 Å²	61	74 Å²	74	27%	0.265	36%	0.355	S	S	.	.	S	Bend	trans	-67.9	-45.8	177.5	-171.1	-177.5	176.8	173.3	0	110.3	D83 C125 E126	D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.38Å; D83-K85 WeakPolarHBondContact OD1-CA 3.19Å; D83-K85 WeakPolarHBondContact OD1-CB 3.3Å; D83-K85 PolarHBondContact OD1-N 3.4Å; K85-C125 PolarHBondContact O-N 3.34Å; K85-C125 VanDerWaalsContact O-N 3.09Å; K85-E126 WeakPolarHBondContact CE-OE1 3.36Å; K85-E126 WeakPolarHBondContact CE-OE2 3.19Å; K85-E126 IonicContact NZ-OE1 3.85Å; K85-E126 PolarHBondContact NZ-OE1 3.01Å; K85-E126 IonicContact NZ-OE2 3.73Å; K85-E126 PolarHBondContact NZ-OE2 3.29Å; K85-E126 VanDerWaalsContact NZ-OE2 3.14Å
86	R	97.6	Very high	96	Very high	138 Å²	138	81.9 Å²	81.9	52%	0.521	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-133.1	92	-179	-66.8	-175.4	-179.3	168.4	6.2	110.9	D83 L123 D124 E126	D83-R86 CarbonylContact O-C 3.46Å; D83-R86 PolarHBondContact OD1-N 3.42Å; R86-L123 WeakPolarHBondContact CA-O 3.12Å; R86-D124 IonicContact NE-OD2 3.84Å; R86-E126 IonicContact NE-OE2 3.58Å; R86-E126 IonicContact NH2-OE2 3.96Å; R86-E126 PolarHBondContact NH2-OE2 3.06Å; R86-E126 VanDerWaalsContact NH2-OE2 3.17Å
87	L	97.7	Very high	95.8	Very high	10 Å²	10	80.1 Å²	80.1	5%	0.052	39%	0.385	C	S	.	.			trans	-77.3	145.7	174.8	-66.1	171.5	0	0	0	110.7	L82 D83 L92 L121 L123 V145	L82-L87 HydrophobicContact CD1-CD2 3.95Å; L82-L87 HydrophobicContact CD2-CD2 4.03Å; L82-L87 HydrophobicContact CG-CD2 3.96Å; D83-L87 WeakPolarHBondContact O-CD2 3.38Å; L87-L92 HydrophobicContact CD1-CD1 4.36Å; L87-L121 HydrophobicContact CD1-CD2 3.77Å; L87-L121 HydrophobicContact CD1-CG 4.46Å; L87-L123 HydrophobicContact CB-CD2 4.2Å; L87-L123 PolarHBondContact N-O 3.43Å; L87-V145 HydrophobicContact CD1-CG1 3.77Å; L87-V145 HydrophobicContact CD1-CG2 4.13Å
88	K	96.5	Very high	95.5	Very high	123 Å²	123	78.7 Å²	78.7	54%	0.535	38%	0.377	S	S	.	.			trans	-101.6	154.1	165.3	-55.5	174.2	-176.8	173	0	109.6	E90 D91	K88-E90 HydrophobicContact CB-CG 3.75Å; K88-E90 HydrophobicContact CD-CG 4.06Å; K88-E90 WeakPolarHBondContact CD-OE1 3.28Å; K88-E90 IonicContact NZ-OE1 3.17Å; K88-E90 PolarHBondContact NZ-OE1 3.39Å; K88-E90 PolarHBondContact O-N 2.86Å; K88-D91 WeakPolarHBondContact CB-OD2 3.32Å; K88-D91 PolarHBondContact N-OD2 3.44Å; K88-D91 WeakPolarHBondContact O-CB 3.35Å; K88-D91 PolarHBondContact O-N 3.34Å; K88-D91 VanDerWaalsContact O-N 3.07Å
89	E	94.6	Very high	95.4	Very high	103 Å²	103	82.7 Å²	82.7	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.6	175.7	-67.5	-161	-134.2	0	0	112.9	D91 L92 K93 L123 I135	E89-D91 PolarHBondContact O-N 3.4Å; E89-L92 PolarHBondContact O-N 2.89Å; E89-L92 VanDerWaalsContact O-N 3.16Å; E89-K93 WeakPolarHBondContact O-CB 3.24Å; E89-K93 PolarHBondContact O-N 2.78Å; E89-K93 IonicContact OE2-NZ 3.88Å; E89-K93 PolarHBondContact OE2-NZ 3.46Å; E89-L123 HydrophobicContact CG-CD1 4.17Å; E89-L123 HydrophobicContact CG-CD2 4.49Å; E89-I135 HydrophobicContact CB-CD1 4.16Å; E89-I135 HydrophobicContact CG-CD1 3.95Å
90	E	95.6	Very high	95.4	Very high	109 Å²	109	84.1 Å²	84.1	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-28.3	178.3	63.5	-167.9	-162.3	0	0	113.4	K88 L92 S94 A97	K88-E90 HydrophobicContact CB-CG 3.75Å; K88-E90 HydrophobicContact CD-CG 4.06Å; K88-E90 WeakPolarHBondContact CD-OE1 3.28Å; K88-E90 IonicContact NZ-OE1 3.17Å; K88-E90 PolarHBondContact NZ-OE1 3.39Å; K88-E90 PolarHBondContact O-N 2.86Å; E90-L92 PolarHBondContact O-N 2.71Å; E90-S94 WeakPolarHBondContact O-CB 3.41Å; E90-S94 PolarHBondContact O-N 3.08Å; E90-S94 PolarHBondContact O-OG 3.46Å; E90-A97 WeakPolarHBondContact O-CB 3.45Å
91	D	95.2	Very high	95.4	Very high	48 Å²	48	77.1 Å²	77.1	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-69.6	-16.6	178.3	-59.4	-40.3	0	0	0	112.5	L82 K88 E89 A97 W101	L82-D91 HydrophobicContact CD1-CB 3.77Å; K88-D91 WeakPolarHBondContact CB-OD2 3.32Å; K88-D91 PolarHBondContact N-OD2 3.44Å; K88-D91 WeakPolarHBondContact O-CB 3.35Å; K88-D91 PolarHBondContact O-N 3.34Å; K88-D91 VanDerWaalsContact O-N 3.07Å; E89-D91 PolarHBondContact O-N 3.4Å; D91-A97 VanDerWaalsContact O-CB 3.25Å; D91-A97 WeakPolarHBondContact O-CB 3.39Å; D91-W101 PolarHBondContact O-NE1 2.86Å
92	L	93.7	Very high	95.5	Very high	10 Å²	10	78.4 Å²	78.4	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-116.1	-37.1	-177.4	-65.7	165.2	0	0	0	112.3	L87 E89 E90 W101 L121 I135	L87-L92 HydrophobicContact CD1-CD1 4.36Å; E89-L92 PolarHBondContact O-N 2.89Å; E89-L92 VanDerWaalsContact O-N 3.16Å; E90-L92 PolarHBondContact O-N 2.71Å; L92-W101 HydrophobicContact CD2-CZ2 3.8Å; L92-L121 HydrophobicContact CD1-CD2 4.22Å; L92-I135 HydrophobicContact CB-CD1 4.18Å; L92-I135 HydrophobicContact CD1-CD1 3.77Å; L92-I135 HydrophobicContact CD1-CG2 3.62Å
93	K	90.1	Very high	95.4	Very high	93 Å²	93	81 Å²	81	40%	0.404	38%	0.382	S	S	.	.	H	α-helix	trans	-107.1	-17.1	-168.9	-67.9	179.3	176.1	163.9	0	115.1	E89 K98 I135	E89-K93 WeakPolarHBondContact O-CB 3.24Å; E89-K93 PolarHBondContact O-N 2.78Å; E89-K93 IonicContact OE2-NZ 3.88Å; E89-K93 PolarHBondContact OE2-NZ 3.46Å; K93-K98 WeakPolarHBondContact O-CE 3.37Å; K93-K98 PolarHBondContact O-NZ 2.83Å; K93-I135 HydrophobicContact CD-CD1 3.95Å; K93-I135 VanDerWaalsContact CE-CD1 3.49Å; K93-I135 HydrophobicContact CG-CD1 4.09Å
94	S	94.4	Very high	95.4	Very high	46 Å²	46	77.2 Å²	77.2	32%	0.322	36%	0.362	S	S	.	.	S	Bend	trans	-61.4	154.1	178	68.3	0	0	0	0	110.9	E90 K96 A97 K98	E90-S94 WeakPolarHBondContact O-CB 3.41Å; E90-S94 PolarHBondContact O-N 3.08Å; E90-S94 PolarHBondContact O-OG 3.46Å; S94-K96 PolarHBondContact O-N 3.06Å; S94-A97 WeakPolarHBondContact O-CB 3.45Å; S94-A97 PolarHBondContact O-N 2.93Å; S94-A97 WeakPolarHBondContact OG-CB 3.4Å; S94-A97 PolarHBondContact OG-N 3.35Å; S94-A97 VanDerWaalsContact OG-N 3.09Å; S94-K98 WeakPolarHBondContact O-CG 3.5Å; S94-K98 PolarHBondContact O-N 3.08Å
95	D	93.4	Very high	95.4	Very high	117 Å²	117	77.7 Å²	77.7	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-37.3	-179.5	-65.8	-31.5	0	0	0	111.8	K98 Q99	D95-K98 PolarHBondContact O-N 3.01Å; D95-Q99 VanDerWaalsContact O-CG 3.3Å; D95-Q99 WeakPolarHBondContact O-CG 3.47Å; D95-Q99 PolarHBondContact O-N 2.82Å
96	K	93.9	Very high	95.3	Very high	165 Å²	165	78.2 Å²	78.2	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-62.8	-47.9	172.9	-174.5	-179.6	178.1	-174.7	0	111.4	S94 K98 Q99 T100	S94-K96 PolarHBondContact O-N 3.06Å; K96-K98 VanDerWaalsContact C-N 3.34Å; K96-K98 PolarHBondContact O-N 2.94Å; K96-Q99 PolarHBondContact O-N 2.88Å; K96-T100 PolarHBondContact O-N 3.44Å; K96-T100 PolarHBondContact O-OG1 3.49Å
97	A	94.6	Very high	95.2	Very high	12 Å²	12	75.7 Å²	75.7	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-45.7	177.2	0	0	0	0	0	111.4	E90 D91 S94 Q99 T100 W101	E90-A97 WeakPolarHBondContact O-CB 3.45Å; D91-A97 VanDerWaalsContact O-CB 3.25Å; D91-A97 WeakPolarHBondContact O-CB 3.39Å; S94-A97 WeakPolarHBondContact O-CB 3.45Å; S94-A97 PolarHBondContact O-N 2.93Å; S94-A97 WeakPolarHBondContact OG-CB 3.4Å; S94-A97 PolarHBondContact OG-N 3.35Å; S94-A97 VanDerWaalsContact OG-N 3.09Å; A97-Q99 VanDerWaalsContact C-N 3.31Å; A97-Q99 PolarHBondContact O-N 2.88Å; A97-T100 PolarHBondContact O-N 3.12Å; A97-W101 WeakPolarHBondContact O-CB 3.32Å; A97-W101 PolarHBondContact O-N 2.99Å
98	K	92.6	Very high	95.2	Very high	110 Å²	110	75.2 Å²	75.2	48%	0.478	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-39.5	177.6	-72.8	171.9	178	159.6	0	112.6	K93 S94 D95 K96 T100 R102	K93-K98 WeakPolarHBondContact O-CE 3.37Å; K93-K98 PolarHBondContact O-NZ 2.83Å; S94-K98 WeakPolarHBondContact O-CG 3.5Å; S94-K98 PolarHBondContact O-N 3.08Å; D95-K98 PolarHBondContact O-N 3.01Å; K96-K98 VanDerWaalsContact C-N 3.34Å; K96-K98 PolarHBondContact O-N 2.94Å; K98-T100 PolarHBondContact O-N 3.38Å; K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.38Å
99	Q	95.1	Very high	95.1	Very high	148 Å²	148	75.3 Å²	75.3	69%	0.692	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-28.1	176.4	-74.3	173.4	15.2	0	0	112.9	D95 K96 A97 P103	D95-Q99 VanDerWaalsContact O-CG 3.3Å; D95-Q99 WeakPolarHBondContact O-CG 3.47Å; D95-Q99 PolarHBondContact O-N 2.82Å; K96-Q99 PolarHBondContact O-N 2.88Å; A97-Q99 VanDerWaalsContact C-N 3.31Å; A97-Q99 PolarHBondContact O-N 2.88Å; Q99-P103 WeakPolarHBondContact O-CD 3.28Å; Q99-P103 VanDerWaalsContact O-CG 3.3Å; Q99-P103 WeakPolarHBondContact O-CG 3.43Å
100	T	96.4	Very high	95.1	Very high	53 Å²	53	74.4 Å²	74.4	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-88.6	-44.4	175.7	-51.1	0	0	0	0	112.2	T78 F79 K96 A97 K98 R102 P103 F104	T78-T100 HydrophobicContact CG2-CG2 3.65Å; F79-T100 HydrophobicContact CD1-CG2 4.44Å; F79-T100 HydrophobicContact CE1-CG2 3.62Å; F79-T100 HydrophobicContact CZ-CG2 3.71Å; K96-T100 PolarHBondContact O-N 3.44Å; K96-T100 PolarHBondContact O-OG1 3.49Å; A97-T100 PolarHBondContact O-N 3.12Å; K98-T100 PolarHBondContact O-N 3.38Å; T100-R102 PolarHBondContact O-N 3.33Å; T100-P103 VanDerWaalsContact O-CD 3.29Å; T100-P103 WeakPolarHBondContact O-CD 3.05Å; T100-P103 WeakPolarHBondContact O-CG 3.05Å; T100-F104 WeakPolarHBondContact O-CB 3.23Å; T100-F104 PolarHBondContact O-N 2.91Å
101	W	97.1	Very high	95.1	Very high	5 Å²	5	73 Å²	73	2%	0.019	38%	0.378	C	S	.	.	H	α-helix	trans	-65.5	-36.3	-179.3	-80.9	114.1	0	0	0	113	F75 F79 L82 D91 L92 A97 F104 C105 Q141 A144 V145	F75-W101 HydrophobicContact CD2-CH2 4.05Å; F75-W101 HydrophobicContact CD2-CZ3 4.4Å; F75-W101 AromaticContact CE2-CH2 3.61Å; F75-W101 HydrophobicContact CE2-CH2 3.61Å; F75-W101 HydrophobicContact CE2-CZ2 4.27Å; F75-W101 HydrophobicContact CE2-CZ3 4.39Å; F79-W101 HydrophobicContact CD1-CZ2 4.39Å; F79-W101 HydrophobicContact CD2-CH2 4.36Å; F79-W101 HydrophobicContact CD2-CZ3 4.47Å; F79-W101 AromaticContact CE1-CD2 3.96Å; F79-W101 HydrophobicContact CE1-CD2 3.96Å; F79-W101 AromaticContact CE1-CE2 3.65Å; F79-W101 HydrophobicContact CE1-CE3 4.48Å; F79-W101 HydrophobicContact CE1-CG 4.35Å; F79-W101 AromaticContact CE1-CZ2 3.98Å; F79-W101 HydrophobicContact CE1-CZ2 3.98Å; F79-W101 AromaticContact CE1-NE1 3.82Å; F79-W101 HydrophobicContact CE2-CD2 4.09Å; F79-W101 AromaticContact CE2-CE3 3.78Å; F79-W101 HydrophobicContact CE2-CE3 3.78Å; F79-W101 AromaticContact CE2-CH2 3.97Å; F79-W101 HydrophobicContact CE2-CH2 3.97Å; F79-W101 HydrophobicContact CE2-CZ2 4.23Å; F79-W101 AromaticContact CE2-CZ3 3.73Å; F79-W101 HydrophobicContact CE2-CZ3 3.73Å; F79-W101 AromaticContact CZ-CD2 3.38Å; F79-W101 HydrophobicContact CZ-CD2 3.38Å; F79-W101 AromaticContact CZ-CE2 3.54Å; F79-W101 AromaticContact CZ-CE3 3.55Å; F79-W101 HydrophobicContact CZ-CE3 3.55Å; F79-W101 AromaticContact CZ-CG 3.93Å; F79-W101 HydrophobicContact CZ-CG 3.93Å; F79-W101 HydrophobicContact CZ-CH2 4.08Å; F79-W101 AromaticContact CZ-CZ2 3.9Å; F79-W101 HydrophobicContact CZ-CZ2 3.9Å; F79-W101 AromaticContact CZ-CZ3 3.9Å; F79-W101 HydrophobicContact CZ-CZ3 3.9Å; L82-W101 HydrophobicContact CD2-CZ2 3.91Å; D91-W101 PolarHBondContact O-NE1 2.86Å; L92-W101 HydrophobicContact CD2-CZ2 3.8Å; A97-W101 WeakPolarHBondContact O-CB 3.32Å; A97-W101 PolarHBondContact O-N 2.99Å; W101-F104 AromaticContact CE3-CD1 3.62Å; W101-F104 HydrophobicContact CE3-CD1 3.62Å; W101-F104 HydrophobicContact CE3-CE1 4.16Å; W101-F104 HydrophobicContact CE3-CG 4.42Å; W101-F104 AromaticContact CZ3-CD1 3.65Å; W101-F104 HydrophobicContact CZ3-CD1 3.65Å; W101-F104 AromaticContact CZ3-CE1 3.71Å; W101-F104 HydrophobicContact CZ3-CE1 3.71Å; W101-F104 PolarHBondContact O-N 2.87Å; W101-C105 WeakPolarHBondContact O-CB 3.45Å; W101-C105 PolarHBondContact O-N 2.82Å; W101-C105 PolarHBondContact O-SG 3.23Å; W101-Q141 HydrophobicContact CD2-CG 4.08Å; W101-Q141 HydrophobicContact CE3-CG 3.62Å; W101-Q141 HydrophobicContact CZ3-CB 4.37Å; W101-Q141 HydrophobicContact CZ3-CG 3.88Å; W101-A144 HydrophobicContact CH2-CB 4.5Å; W101-A144 HydrophobicContact CZ3-CB 4.28Å; W101-V145 HydrophobicContact CH2-CG2 4.23Å
102	R	95.3	Very high	95.1	Very high	186 Å²	186	71 Å²	71	70%	0.702	37%	0.367	S	S	*	.	H	α-helix	trans	-60.6	-55.2	-178.6	-173.2	168.9	-174.8	158.7	3	113.4	K98 T100 F104 C105 N106	K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.38Å; T100-R102 PolarHBondContact O-N 3.33Å; R102-F104 VanDerWaalsContact C-N 3.3Å; R102-F104 PolarHBondContact O-N 2.83Å; R102-C105 PolarHBondContact O-N 2.88Å; R102-N106 WeakPolarHBondContact O-CB 3.38Å; R102-N106 VanDerWaalsContact O-CG 3.24Å; R102-N106 PolarHBondContact O-N 2.84Å; R102-N106 PolarHBondContact O-OD1 2.92Å
103	P	96.8	Very high	95	Very high	79 Å²	79	78 Å²	78	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-63.2	-37.3	175.6	24.3	-33.1	0	0	0	112.1	Q99 T100 C105 N106 Q107	Q99-P103 WeakPolarHBondContact O-CD 3.28Å; Q99-P103 VanDerWaalsContact O-CG 3.3Å; Q99-P103 WeakPolarHBondContact O-CG 3.43Å; T100-P103 VanDerWaalsContact O-CD 3.29Å; T100-P103 WeakPolarHBondContact O-CD 3.05Å; T100-P103 WeakPolarHBondContact O-CG 3.05Å; P103-C105 VanDerWaalsContact C-N 3.33Å; P103-C105 PolarHBondContact O-N 3.49Å; P103-N106 PolarHBondContact O-N 3.32Å; P103-Q107 PolarHBondContact O-N 2.61Å
104	F	97.9	Very high	95.1	Very high	5 Å²	5	75.9 Å²	75.9	2%	0.022	39%	0.393	C	S	.	.	H	α-helix	trans	-61.8	-36.4	175.4	172.6	-92.1	0	0	0	113.2	F75 T78 F79 T100 W101 R102 Q107 F108 V140 A144	F75-F104 HydrophobicContact CB-CE2 4.01Å; F75-F104 HydrophobicContact CB-CZ 3.87Å; F75-F104 HydrophobicContact CD2-CZ 4.31Å; T78-F104 HydrophobicContact CG2-CD2 4.45Å; F79-F104 HydrophobicContact CE2-CB 4.11Å; F79-F104 HydrophobicContact CE2-CD1 4.07Å; F79-F104 HydrophobicContact CE2-CD2 4.01Å; F79-F104 AromaticContact CE2-CG 3.75Å; F79-F104 HydrophobicContact CE2-CG 3.75Å; F79-F104 HydrophobicContact CZ-CB 4.45Å; F79-F104 HydrophobicContact CZ-CG 4.5Å; T100-F104 WeakPolarHBondContact O-CB 3.23Å; T100-F104 PolarHBondContact O-N 2.91Å; W101-F104 AromaticContact CE3-CD1 3.62Å; W101-F104 HydrophobicContact CE3-CD1 3.62Å; W101-F104 HydrophobicContact CE3-CE1 4.16Å; W101-F104 HydrophobicContact CE3-CG 4.42Å; W101-F104 AromaticContact CZ3-CD1 3.65Å; W101-F104 HydrophobicContact CZ3-CD1 3.65Å; W101-F104 AromaticContact CZ3-CE1 3.71Å; W101-F104 HydrophobicContact CZ3-CE1 3.71Å; W101-F104 PolarHBondContact O-N 2.87Å; R102-F104 VanDerWaalsContact C-N 3.3Å; R102-F104 PolarHBondContact O-N 2.83Å; F104-Q107 WeakPolarHBondContact O-CG 3.35Å; F104-Q107 PolarHBondContact O-NE2 3.17Å; F104-F108 HydrophobicContact CE1-CE2 4.2Å; F104-F108 AromaticContact CE2-CE2 3.93Å; F104-F108 HydrophobicContact CE2-CE2 3.93Å; F104-F108 AromaticContact CZ-CE2 3.77Å; F104-F108 HydrophobicContact CZ-CE2 3.77Å; F104-F108 HydrophobicContact CZ-CZ 4.49Å; F104-F108 VanDerWaalsContact O-CD2 3.27Å; F104-F108 WeakPolarHBondContact O-CD2 3.41Å; F104-F108 WeakPolarHBondContact O-CE2 3.28Å; F104-V140 HydrophobicContact CD1-CG1 4.29Å; F104-V140 HydrophobicContact CE1-CG1 3.79Å; F104-A144 HydrophobicContact CE1-CB 3.7Å; F104-A144 HydrophobicContact CZ-CB 3.76Å
105	C	96.4	Very high	94.9	Very high	10 Å²	10	74.8 Å²	74.8	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-75.1	-41.7	177.2	-66.2	0	0	0	0	111.2	W101 R102 P103 Q107 F108 F115 V140	W101-C105 WeakPolarHBondContact O-CB 3.45Å; W101-C105 PolarHBondContact O-N 2.82Å; W101-C105 PolarHBondContact O-SG 3.23Å; R102-C105 PolarHBondContact O-N 2.88Å; P103-C105 VanDerWaalsContact C-N 3.33Å; P103-C105 PolarHBondContact O-N 3.49Å; C105-Q107 VanDerWaalsContact C-N 3.3Å; C105-Q107 PolarHBondContact O-N 3.08Å; C105-F108 PolarHBondContact O-N 2.95Å; C105-F108 VanDerWaalsContact O-N 3.08Å; C105-F115 WeakPolarHBondContact O-CD2 3.11Å; C105-V140 HydrophobicContact CB-CB 4.44Å; C105-V140 HydrophobicContact CB-CG1 4.29Å
106	N	95.8	Very high	94.7	Very high	72 Å²	72	73.2 Å²	73.2	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-66.6	-26.1	-173.8	-73.5	4.3	0	0	0	113.7	R102 P103 F108 E109	R102-N106 WeakPolarHBondContact O-CB 3.38Å; R102-N106 VanDerWaalsContact O-CG 3.24Å; R102-N106 PolarHBondContact O-N 2.84Å; R102-N106 PolarHBondContact O-OD1 2.92Å; P103-N106 PolarHBondContact O-N 3.32Å; N106-F108 PolarHBondContact O-N 3.23Å; N106-F108 VanDerWaalsContact O-N 3.13Å; N106-E109 VanDerWaalsContact O-CB 3.24Å; N106-E109 WeakPolarHBondContact O-CB 3.27Å; N106-E109 PolarHBondContact O-N 3.02Å; N106-E109 VanDerWaalsContact O-N 3.09Å
107	Q	96.9	Very high	94.5	Very high	86 Å²	86	65.9 Å²	65.9	40%	0.402	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	173.7	69.3	-173.9	-19.8	0	0	113.6	S74 P103 F104 C105 I111	S74-Q107 PolarHBondContact OG-NE2 3.07Å; S74-Q107 PolarHBondContact OG-OE1 3.28Å; P103-Q107 PolarHBondContact O-N 2.61Å; F104-Q107 WeakPolarHBondContact O-CG 3.35Å; F104-Q107 PolarHBondContact O-NE2 3.17Å; C105-Q107 VanDerWaalsContact C-N 3.3Å; C105-Q107 PolarHBondContact O-N 3.08Å; Q107-I111 WeakPolarHBondContact O-CD1 3.43Å
108	F	97	Very high	94.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.1	176.8	-61.1	-73.2	0	0	0	113.1	Q70 I71 F104 C105 N106 G110 I111 V112 V140	Q70-F108 HydrophobicContact CG-CE1 4.12Å; I71-F108 HydrophobicContact CB-CE1 4.43Å; I71-F108 HydrophobicContact CB-CZ 4.24Å; I71-F108 HydrophobicContact CG1-CD1 4.01Å; I71-F108 HydrophobicContact CG1-CE1 3.53Å; I71-F108 HydrophobicContact CG1-CE2 4.3Å; I71-F108 HydrophobicContact CG1-CZ 3.72Å; F104-F108 HydrophobicContact CE1-CE2 4.2Å; F104-F108 AromaticContact CE2-CE2 3.93Å; F104-F108 HydrophobicContact CE2-CE2 3.93Å; F104-F108 AromaticContact CZ-CE2 3.77Å; F104-F108 HydrophobicContact CZ-CE2 3.77Å; F104-F108 HydrophobicContact CZ-CZ 4.49Å; F104-F108 VanDerWaalsContact O-CD2 3.27Å; F104-F108 WeakPolarHBondContact O-CD2 3.41Å; F104-F108 WeakPolarHBondContact O-CE2 3.28Å; C105-F108 PolarHBondContact O-N 2.95Å; C105-F108 VanDerWaalsContact O-N 3.08Å; N106-F108 PolarHBondContact O-N 3.23Å; N106-F108 VanDerWaalsContact O-N 3.13Å; F108-G110 PolarHBondContact O-N 3.04Å; F108-I111 PolarHBondContact O-N 3.48Å; F108-V112 HydrophobicContact CB-CB 4.32Å; F108-V112 HydrophobicContact CB-CG2 3.93Å; F108-V112 HydrophobicContact CD1-CG2 4.33Å; F108-V112 HydrophobicContact CG-CG2 4.37Å; F108-V112 PolarHBondContact O-N 3.37Å; F108-V140 HydrophobicContact CB-CG2 3.96Å; F108-V140 HydrophobicContact CD2-CG1 3.65Å; F108-V140 HydrophobicContact CD2-CG2 4.45Å; F108-V140 HydrophobicContact CE2-CG1 4.2Å; F108-V140 HydrophobicContact CG-CG1 4.42Å; F108-V140 HydrophobicContact CG-CG2 4.49Å
109	E	95.3	Very high	94.6	Very high	125 Å²	125	60.7 Å²	60.7	58%	0.584	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.9	171.7	-176.3	169.3	-161.6	0	0	110.1	N106 I111 F115	N106-E109 VanDerWaalsContact O-CB 3.24Å; N106-E109 WeakPolarHBondContact O-CB 3.27Å; N106-E109 PolarHBondContact O-N 3.02Å; N106-E109 VanDerWaalsContact O-N 3.09Å; E109-I111 PolarHBondContact O-N 3.33Å; E109-F115 HydrophobicContact CB-CD1 4.19Å; E109-F115 HydrophobicContact CB-CE1 3.86Å; E109-F115 HydrophobicContact CB-CE2 4.25Å; E109-F115 HydrophobicContact CB-CZ 3.88Å; E109-F115 HydrophobicContact CG-CD1 4.21Å; E109-F115 HydrophobicContact CG-CE1 3.62Å; E109-F115 HydrophobicContact CG-CZ 3.95Å
110	G	93.9	Very high	94.7	Very high	83 Å²	83	55.4 Å²	55.4	86%	0.856	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-5.9	-174.6	0	0	0	0	0	115.4	F108	F108-G110 PolarHBondContact O-N 3.04Å
111	I	96.1	Very high	94.8	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.415	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-47.1	175.3	-56.4	179.8	0	0	0	110.4	V67 Q107 F108 E109	V67-I111 HydrophobicContact CB-CG2 4.47Å; V67-I111 HydrophobicContact CG1-CG2 3.88Å; V67-I111 HydrophobicContact CG2-CG2 4.14Å; Q107-I111 WeakPolarHBondContact O-CD1 3.43Å; F108-I111 PolarHBondContact O-N 3.48Å; E109-I111 PolarHBondContact O-N 3.33Å
112	V	94.7	Very high	94.8	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.036	28%	0.28	C	S	.	.	S	Bend	trans	-98.3	124.2	175.5	176.5	0	0	0	0	108.6	V67 I71 F108 D114 F115 R139 V140 F143	V67-V112 HydrophobicContact CG2-CG2 3.86Å; I71-V112 HydrophobicContact CD1-CG2 4.07Å; F108-V112 HydrophobicContact CB-CB 4.32Å; F108-V112 HydrophobicContact CB-CG2 3.93Å; F108-V112 HydrophobicContact CD1-CG2 4.33Å; F108-V112 HydrophobicContact CG-CG2 4.37Å; F108-V112 PolarHBondContact O-N 3.37Å; V112-D114 PolarHBondContact O-N 2.81Å; V112-F115 HydrophobicContact CB-CB 4.01Å; V112-F115 HydrophobicContact CG1-CB 4.28Å; V112-F115 WeakPolarHBondContact O-CB 3.35Å; V112-F115 PolarHBondContact O-N 2.95Å; V112-R139 HydrophobicContact CG1-CG 4.46Å; V112-V140 HydrophobicContact CB-CG2 4.3Å; V112-V140 HydrophobicContact CG1-CG2 4.27Å; V112-V140 HydrophobicContact CG2-CG2 4.47Å; V112-F143 HydrophobicContact CG1-CD2 4.09Å; V112-F143 HydrophobicContact CG1-CE2 3.81Å
113	E	91.9	Very high	95	Very high	156 Å²	156	44.8 Å²	44.8	73%	0.729	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	131.7	174.8	-174.5	177.4	-173.9	0	0	110.6	F115 R139	E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.43Å; E113-R139 VanDerWaalsContact O-CD 3.27Å; E113-R139 WeakPolarHBondContact O-CD 3.47Å; E113-R139 PolarHBondContact O-NH1 3.3Å
114	D	91.2	Very high	95	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	44	49.6	-171.4	-34.4	-57.3	0	0	0	113.1	V112 N116 Y117 R139	V112-D114 PolarHBondContact O-N 2.81Å; D114-N116 PolarHBondContact O-N 3.26Å; D114-Y117 HydrophobicContact CB-CG 4.38Å; D114-Y117 WeakPolarHBondContact O-CB 3.47Å; D114-Y117 PolarHBondContact O-N 3.23Å; D114-R139 IonicContact OD2-CZ 3.17Å; D114-R139 IonicContact OD2-NH1 2.8Å; D114-R139 PolarHBondContact OD2-NH1 3.19Å; D114-R139 IonicContact OD2-NH2 4Å
115	F	91.3	Very high	95	Very high	24 Å²	24	41.6 Å²	41.6	11%	0.105	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-32.5	-173.1	83	-78.8	0	0	0	114.5	C105 E109 V112 E113 V140	C105-F115 WeakPolarHBondContact O-CD2 3.11Å; E109-F115 HydrophobicContact CB-CD1 4.19Å; E109-F115 HydrophobicContact CB-CE1 3.86Å; E109-F115 HydrophobicContact CB-CE2 4.25Å; E109-F115 HydrophobicContact CB-CZ 3.88Å; E109-F115 HydrophobicContact CG-CD1 4.21Å; E109-F115 HydrophobicContact CG-CE1 3.62Å; E109-F115 HydrophobicContact CG-CZ 3.95Å; V112-F115 HydrophobicContact CB-CB 4.01Å; V112-F115 HydrophobicContact CG1-CB 4.28Å; V112-F115 WeakPolarHBondContact O-CB 3.35Å; V112-F115 PolarHBondContact O-N 2.95Å; E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.43Å; F115-V140 HydrophobicContact CB-CG2 3.65Å; F115-V140 HydrophobicContact CD2-CG2 4.32Å; F115-V140 WeakPolarHBondContact O-CG2 3.39Å; F115-V140 PolarHBondContact O-N 2.83Å; F115-V140 VanDerWaalsContact O-N 3.1Å
116	N	88.8	Confident	94.9	Very high	83 Å²	83	44.1 Å²	44.1	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.3	-179.4	65.9	-13.1	0	0	0	113.9	D114	D114-N116 PolarHBondContact O-N 3.26Å
117	Y	90.1	Very high	94.9	Very high	11 Å²	11	45.8 Å²	45.8	4%	0.043	25%	0.246	C	C	.	.			trans	-59.6	140	-179.4	-178	-95.9	0	0	0	112.2	L22 K42 D114 T119 T138 R139	L22-Y117 HydrophobicContact CB-CE2 4.4Å; K42-Y117 VanDerWaalsContact CB-OH 3.23Å; K42-Y117 WeakPolarHBondContact CB-OH 3.33Å; K42-Y117 HydrophobicContact CD-CE1 4.49Å; K42-Y117 HydrophobicContact CD-CE2 4.16Å; K42-Y117 WeakPolarHBondContact CD-OH 3.43Å; K42-Y117 HydrophobicContact CG-CE1 4.43Å; K42-Y117 WeakPolarHBondContact CG-OH 3.44Å; D114-Y117 HydrophobicContact CB-CG 4.38Å; D114-Y117 WeakPolarHBondContact O-CB 3.47Å; D114-Y117 PolarHBondContact O-N 3.23Å; Y117-T119 HydrophobicContact CD1-CG2 3.99Å; Y117-T119 HydrophobicContact CE1-CG2 4.4Å; Y117-T138 CarbonylContact O-C 3.5Å; Y117-T138 WeakPolarHBondContact O-CA 3.35Å; Y117-R139 PolarHBondContact O-N 2.89Å
118	G	91.5	Very high	94.8	Very high	13 Å²	13	46.1 Å²	46.1	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.9	-177.4	0	0	0	0	0	114
119	T	96	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	172.7	180	64.6	0	0	0	0	111	Y117 A137 R139 F142	Y117-T119 HydrophobicContact CD1-CG2 3.99Å; Y117-T119 HydrophobicContact CE1-CG2 4.4Å; T119-A137 CarbonylContact C-O 3.41Å; T119-A137 WeakPolarHBondContact CA-O 3.27Å; T119-A137 PolarHBondContact N-O 2.75Å; T119-A137 PolarHBondContact O-N 3.46Å; T119-A137 VanDerWaalsContact O-O 3.12Å; T119-A137 PolarHBondContact OG1-O 2.82Å; T119-R139 HydrophobicContact CG2-CB 4.23Å; T119-F142 WeakPolarHBondContact OG1-CB 3.28Å
120	L	97.8	Very high	94.8	Very high	37 Å²	37	44.6 Å²	44.6	19%	0.194	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	173.8	-60.1	178.9	0	0	0	110.3	A43 A47 Y129 T134	A43-L120 HydrophobicContact CB-CD2 4.47Å; A43-L120 HydrophobicContact CB-CG 4Å; A47-L120 HydrophobicContact CB-CB 4.11Å; A47-L120 HydrophobicContact CB-CD1 4.24Å; L120-Y129 HydrophobicContact CB-CD1 4.38Å; L120-Y129 HydrophobicContact CB-CE1 3.9Å; L120-Y129 PolarHBondContact O-OH 3.48Å; L120-T134 HydrophobicContact CB-CG2 3.68Å; L120-T134 HydrophobicContact CD1-CG2 4.13Å; L120-T134 HydrophobicContact CD2-CG2 3.94Å; L120-T134 HydrophobicContact CG-CG2 4.11Å
121	L	98.2	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.6	179.2	-178.9	66	0	0	0	110.1	L87 L92 T134 I135 A137 F142 V145 E146	L87-L121 HydrophobicContact CD1-CD2 3.77Å; L87-L121 HydrophobicContact CD1-CG 4.46Å; L92-L121 HydrophobicContact CD1-CD2 4.22Å; L121-T134 WeakPolarHBondContact O-CA 3.36Å; L121-I135 HydrophobicContact CB-CG2 4.06Å; L121-I135 PolarHBondContact N-O 2.99Å; L121-I135 PolarHBondContact O-N 3.42Å; L121-A137 HydrophobicContact CB-CB 3.88Å; L121-A137 HydrophobicContact CD2-CB 4.27Å; L121-F142 HydrophobicContact CD1-CD2 4.05Å; L121-V145 HydrophobicContact CD1-CB 4.09Å; L121-V145 HydrophobicContact CD1-CG1 3.87Å; L121-V145 HydrophobicContact CD2-CB 4.12Å; L121-V145 HydrophobicContact CD2-CG1 4.14Å; L121-V145 HydrophobicContact CD2-CG2 4.01Å; L121-V145 HydrophobicContact CG-CG1 4.49Å; L121-E146 HydrophobicContact CD1-CG 3.95Å; L121-E146 WeakPolarHBondContact CD1-OE1 3.46Å
122	R	98.3	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.3	175.4	-64.1	179	-67.8	147	8.4	110.8	C125 K127 Y129 N133 E146 R149 N155	R122-C125 PolarHBondContact NH1-O 3.41Å; R122-K127 VanDerWaalsContact CD-O 3.3Å; R122-K127 WeakPolarHBondContact CD-O 3.4Å; R122-K127 PolarHBondContact NH1-O 2.96Å; R122-Y129 HydrophobicContact CG-CD1 3.66Å; R122-Y129 HydrophobicContact CG-CD2 4Å; R122-Y129 HydrophobicContact CG-CE1 3.5Å; R122-Y129 VanDerWaalsContact CG-CE1 3.5Å; R122-Y129 HydrophobicContact CG-CE2 3.84Å; R122-Y129 HydrophobicContact CG-CG 3.93Å; R122-N133 CarbonylContact C-O 3.57Å; R122-N133 VanDerWaalsContact CA-O 3.27Å; R122-N133 WeakPolarHBondContact CA-O 3.27Å; R122-E146 IonicContact NH2-OE2 3.28Å; R122-R149 VanDerWaalsContact O-CZ 3.27Å; R122-R149 PolarHBondContact O-NH1 2.89Å; R122-R149 PolarHBondContact O-NH2 3.41Å; R122-N155 PolarHBondContact NH2-OD1 2.98Å
123	L	98.4	Very high	95	Very high	21 Å²	21	52 Å²	52	11%	0.11	26%	0.261	C	S	.	.	S	Bend	trans	-73.1	-53	174.6	-68.4	176.4	0	0	0	110.5	R86 L87 E89 N133 I135 R149	R86-L123 WeakPolarHBondContact CA-O 3.12Å; L87-L123 HydrophobicContact CB-CD2 4.2Å; L87-L123 PolarHBondContact N-O 3.43Å; E89-L123 HydrophobicContact CG-CD1 4.17Å; E89-L123 HydrophobicContact CG-CD2 4.49Å; L123-N133 PolarHBondContact N-O 3.01Å; L123-I135 HydrophobicContact CD2-CB 4.01Å; L123-I135 HydrophobicContact CD2-CD1 4.29Å; L123-I135 HydrophobicContact CD2-CG2 3.84Å; L123-I135 HydrophobicContact CG-CB 4.42Å; L123-I135 HydrophobicContact CG-CG2 4.5Å; L123-R149 PolarHBondContact O-NH2 2.85Å
124	D	98	Very high	95.3	Very high	17 Å²	17	46 Å²	46	9%	0.091	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-101.1	116.7	169.5	-170.4	-19.2	0	0	0	109.7	R86 E126 K127 N133	R86-D124 IonicContact NE-OD2 3.84Å; D124-E126 PolarHBondContact O-N 2.88Å; D124-E126 WeakPolarHBondContact OD1-CB 3.45Å; D124-E126 PolarHBondContact OD1-N 3.1Å; D124-K127 HydrophobicContact CB-CD 4.07Å; D124-K127 HydrophobicContact CB-CG 4.25Å; D124-K127 PolarHBondContact O-N 3.38Å; D124-K127 WeakPolarHBondContact OD2-CE 3.47Å; D124-K127 IonicContact OD2-NZ 2.75Å; D124-N133 WeakPolarHBondContact CA-OD1 3.41Å; D124-N133 VanDerWaalsContact CB-OD1 3.3Å; D124-N133 WeakPolarHBondContact CB-OD1 3.28Å; D124-N133 PolarHBondContact N-OD1 2.77Å; D124-N133 PolarHBondContact O-ND2 3.47Å
125	C	97.1	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.4	-177.4	73.7	0	0	0	0	113.7	K85 R122 K127 R149 H154 V158	K85-C125 PolarHBondContact O-N 3.34Å; K85-C125 VanDerWaalsContact O-N 3.09Å; R122-C125 PolarHBondContact NH1-O 3.41Å; C125-K127 VanDerWaalsContact C-N 3.3Å; C125-R149 HydrophobicContact CB-CG 4.37Å; C125-H154 PolarHBondContact SG-O 3.44Å; C125-V158 WeakPolarHBondContact O-CG2 3.29Å
126	E	95	Very high	95.7	Very high	64 Å²	64	49 Å²	49	30%	0.299	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-13	178.2	-59.6	-177	121	0	0	112.3	K85 R86 D124 T157	K85-E126 WeakPolarHBondContact CE-OE1 3.36Å; K85-E126 WeakPolarHBondContact CE-OE2 3.19Å; K85-E126 IonicContact NZ-OE1 3.85Å; K85-E126 PolarHBondContact NZ-OE1 3.01Å; K85-E126 IonicContact NZ-OE2 3.73Å; K85-E126 PolarHBondContact NZ-OE2 3.29Å; K85-E126 VanDerWaalsContact NZ-OE2 3.14Å; R86-E126 IonicContact NE-OE2 3.58Å; R86-E126 IonicContact NH2-OE2 3.96Å; R86-E126 PolarHBondContact NH2-OE2 3.06Å; R86-E126 VanDerWaalsContact NH2-OE2 3.17Å; D124-E126 PolarHBondContact O-N 2.88Å; D124-E126 WeakPolarHBondContact OD1-CB 3.45Å; D124-E126 PolarHBondContact OD1-N 3.1Å; E126-T157 HydrophobicContact CB-CG2 4.48Å; E126-T157 HydrophobicContact CG-CG2 4.39Å
127	K	95.3	Very high	96.1	Very high	106 Å²	106	45 Å²	45	46%	0.461	23%	0.225	S	C	.	.	S	Bend	trans	-105.9	165	-177	-62.2	179.8	-170.8	173.9	0	111.9	R122 D124 C125 N133	R122-K127 VanDerWaalsContact CD-O 3.3Å; R122-K127 WeakPolarHBondContact CD-O 3.4Å; R122-K127 PolarHBondContact NH1-O 2.96Å; D124-K127 HydrophobicContact CB-CD 4.07Å; D124-K127 HydrophobicContact CB-CG 4.25Å; D124-K127 PolarHBondContact O-N 3.38Å; D124-K127 WeakPolarHBondContact OD2-CE 3.47Å; D124-K127 IonicContact OD2-NZ 2.75Å; C125-K127 VanDerWaalsContact C-N 3.3Å; K127-N133 WeakPolarHBondContact CB-ND2 3.34Å
128	D	95.3	Very high	96.3	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	23%	0.232	S	C	.	.			trans	-73.6	170.2	173.6	-65.2	3.6	0	0	0	110.5	F51 S130 N133	F51-D128 HydrophobicContact CZ-CB 4.32Å; F51-D128 WeakPolarHBondContact CZ-OD1 3.17Å; D128-S130 PolarHBondContact O-N 3.26Å; D128-N133 PolarHBondContact O-ND2 2.77Å
129	Y	96.2	Very high	96.5	Very high	46 Å²	46	47.2 Å²	47.2	18%	0.18	23%	0.233	C	C	.	.			trans	-69.7	120.4	167.5	-77.4	-83.9	0	0	0	109.8	A47 F51 L120 R122 T134	A47-Y129 HydrophobicContact CB-CD1 4.04Å; A47-Y129 HydrophobicContact CB-CD2 3.99Å; A47-Y129 HydrophobicContact CB-CE1 3.75Å; A47-Y129 HydrophobicContact CB-CE2 3.71Å; A47-Y129 HydrophobicContact CB-CG 4.14Å; A47-Y129 WeakPolarHBondContact O-CE2 3.27Å; F51-Y129 HydrophobicContact CB-CD2 4.18Å; F51-Y129 HydrophobicContact CB-CE2 4.1Å; F51-Y129 HydrophobicContact CD2-CD2 4.14Å; F51-Y129 HydrophobicContact CD2-CE2 4.26Å; F51-Y129 HydrophobicContact CG-CD2 4.36Å; L120-Y129 HydrophobicContact CB-CD1 4.38Å; L120-Y129 HydrophobicContact CB-CE1 3.9Å; L120-Y129 PolarHBondContact O-OH 3.48Å; R122-Y129 HydrophobicContact CG-CD1 3.66Å; R122-Y129 HydrophobicContact CG-CD2 4Å; R122-Y129 HydrophobicContact CG-CE1 3.5Å; R122-Y129 VanDerWaalsContact CG-CE1 3.5Å; R122-Y129 HydrophobicContact CG-CE2 3.84Å; R122-Y129 HydrophobicContact CG-CG 3.93Å; Y129-T134 HydrophobicContact CD1-CG2 3.77Å; Y129-T134 WeakPolarHBondContact CD1-OG1 3.11Å; Y129-T134 HydrophobicContact CE1-CG2 4.18Å
130	S	96.1	Very high	96.6	Very high	47 Å²	47	47.2 Å²	47.2	33%	0.329	23%	0.233	S	C	.	.			trans	-142	166.7	174.3	62.7	0	0	0	0	110	D128 D132 N133 T134	D128-S130 PolarHBondContact O-N 3.26Å; S130-D132 VanDerWaalsContact C-N 3.25Å; S130-D132 VanDerWaalsContact CB-OD1 3.28Å; S130-D132 WeakPolarHBondContact CB-OD1 3.31Å; S130-D132 PolarHBondContact O-N 3.29Å; S130-D132 PolarHBondContact OG-OD1 3.11Å; S130-N133 PolarHBondContact O-N 3.24Å; S130-N133 WeakPolarHBondContact OG-CB 3.42Å; S130-N133 PolarHBondContact OG-N 2.94Å; S130-T134 PolarHBondContact N-OG1 3.41Å; S130-T134 WeakPolarHBondContact O-CB 3.09Å; S130-T134 PolarHBondContact O-N 2.88Å; S130-T134 VanDerWaalsContact O-N 3.08Å; S130-T134 PolarHBondContact O-OG1 3.4Å
131	E	94.2	Very high	96.7	Very high	196 Å²	196	46.5 Å²	46.5	92%	0.916	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-55.6	-40.3	179.6	-172.5	179.8	171.9	0	0	112.5
132	D	96.3	Very high	96.7	Very high	124 Å²	124	46.6 Å²	46.6	66%	0.663	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-83.9	-15.8	-179.2	66	-48.5	0	0	0	114.3	S130	S130-D132 VanDerWaalsContact C-N 3.25Å; S130-D132 VanDerWaalsContact CB-OD1 3.28Å; S130-D132 WeakPolarHBondContact CB-OD1 3.31Å; S130-D132 PolarHBondContact O-N 3.29Å; S130-D132 PolarHBondContact OG-OD1 3.11Å
133	N	97.9	Very high	96.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-110.8	9.5	-178.6	-168	50.9	0	0	0	113.2	R122 L123 D124 K127 D128 S130	R122-N133 CarbonylContact C-O 3.57Å; R122-N133 VanDerWaalsContact CA-O 3.27Å; R122-N133 WeakPolarHBondContact CA-O 3.27Å; L123-N133 PolarHBondContact N-O 3.01Å; D124-N133 WeakPolarHBondContact CA-OD1 3.41Å; D124-N133 VanDerWaalsContact CB-OD1 3.3Å; D124-N133 WeakPolarHBondContact CB-OD1 3.28Å; D124-N133 PolarHBondContact N-OD1 2.77Å; D124-N133 PolarHBondContact O-ND2 3.47Å; K127-N133 WeakPolarHBondContact CB-ND2 3.34Å; D128-N133 PolarHBondContact O-ND2 2.77Å; S130-N133 PolarHBondContact O-N 3.24Å; S130-N133 WeakPolarHBondContact OG-CB 3.42Å; S130-N133 PolarHBondContact OG-N 2.94Å
134	T	97.4	Very high	96.7	Very high	32 Å²	32	46.6 Å²	46.6	20%	0.196	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.3	-173.5	-53.6	0	0	0	0	111.2	L120 L121 Y129 S130	L120-T134 HydrophobicContact CB-CG2 3.68Å; L120-T134 HydrophobicContact CD1-CG2 4.13Å; L120-T134 HydrophobicContact CD2-CG2 3.94Å; L120-T134 HydrophobicContact CG-CG2 4.11Å; L121-T134 WeakPolarHBondContact O-CA 3.36Å; Y129-T134 HydrophobicContact CD1-CG2 3.77Å; Y129-T134 WeakPolarHBondContact CD1-OG1 3.11Å; Y129-T134 HydrophobicContact CE1-CG2 4.18Å; S130-T134 PolarHBondContact N-OG1 3.41Å; S130-T134 WeakPolarHBondContact O-CB 3.09Å; S130-T134 PolarHBondContact O-N 2.88Å; S130-T134 VanDerWaalsContact O-N 3.08Å; S130-T134 PolarHBondContact O-OG1 3.4Å
135	I	96.8	Very high	96.7	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.8	175.1	-159.9	177.6	0	0	0	110.5	E89 L92 K93 L121 L123	E89-I135 HydrophobicContact CB-CD1 4.16Å; E89-I135 HydrophobicContact CG-CD1 3.95Å; L92-I135 HydrophobicContact CB-CD1 4.18Å; L92-I135 HydrophobicContact CD1-CD1 3.77Å; L92-I135 HydrophobicContact CD1-CG2 3.62Å; K93-I135 HydrophobicContact CD-CD1 3.95Å; K93-I135 VanDerWaalsContact CE-CD1 3.49Å; K93-I135 HydrophobicContact CG-CD1 4.09Å; L121-I135 HydrophobicContact CB-CG2 4.06Å; L121-I135 PolarHBondContact N-O 2.99Å; L121-I135 PolarHBondContact O-N 3.42Å; L123-I135 HydrophobicContact CD2-CB 4.01Å; L123-I135 HydrophobicContact CD2-CD1 4.29Å; L123-I135 HydrophobicContact CD2-CG2 3.84Å; L123-I135 HydrophobicContact CG-CB 4.42Å; L123-I135 HydrophobicContact CG-CG2 4.5Å
136	F	95.2	Very high	96.8	Very high	129 Å²	129	45.8 Å²	45.8	57%	0.566	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.3	169.3	-176.9	-94	0	0	0	110.4
137	A	96	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.7	178.5	0	0	0	0	0	110.3	T119 L121 Q141	T119-A137 CarbonylContact C-O 3.41Å; T119-A137 WeakPolarHBondContact CA-O 3.27Å; T119-A137 PolarHBondContact N-O 2.75Å; T119-A137 PolarHBondContact O-N 3.46Å; T119-A137 VanDerWaalsContact O-O 3.12Å; T119-A137 PolarHBondContact OG1-O 2.82Å; L121-A137 HydrophobicContact CB-CB 3.88Å; L121-A137 HydrophobicContact CD2-CB 4.27Å; A137-Q141 HydrophobicContact CB-CB 3.99Å
138	T	95.4	Very high	97.1	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.184	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	158.9	169.5	66.8	0	0	0	0	110.6	Y117 V140 Q141 F142	Y117-T138 CarbonylContact O-C 3.5Å; Y117-T138 WeakPolarHBondContact O-CA 3.35Å; T138-V140 PolarHBondContact O-N 3.44Å; T138-Q141 WeakPolarHBondContact O-CB 3.37Å; T138-Q141 PolarHBondContact O-N 3.07Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.38Å; T138-Q141 PolarHBondContact OG1-N 3.2Å; T138-Q141 PolarHBondContact OG1-OE1 3.27Å; T138-F142 PolarHBondContact O-N 2.87Å
139	R	96.6	Very high	97.3	Very high	40 Å²	40	33.3 Å²	33.3	15%	0.151	16%	0.164	C	C	.	.	H	α-helix	trans	-54.4	-41	177.2	175.3	174.9	-78.6	174.1	1.2	112.2	V112 E113 D114 Y117 T119 F142 F143	V112-R139 HydrophobicContact CG1-CG 4.46Å; E113-R139 VanDerWaalsContact O-CD 3.27Å; E113-R139 WeakPolarHBondContact O-CD 3.47Å; E113-R139 PolarHBondContact O-NH1 3.3Å; D114-R139 IonicContact OD2-CZ 3.17Å; D114-R139 IonicContact OD2-NH1 2.8Å; D114-R139 PolarHBondContact OD2-NH1 3.19Å; D114-R139 IonicContact OD2-NH2 4Å; Y117-R139 PolarHBondContact O-N 2.89Å; T119-R139 HydrophobicContact CG2-CB 4.23Å; R139-F142 WeakPolarHBondContact O-CB 3.43Å; R139-F142 PolarHBondContact O-N 3.35Å; R139-F143 HydrophobicContact CG-CD2 3.83Å; R139-F143 HydrophobicContact CG-CE2 3.37Å; R139-F143 HydrophobicContact CG-CZ 3.8Å; R139-F143 WeakPolarHBondContact O-CD2 3.4Å; R139-F143 WeakPolarHBondContact O-CG 3.3Å; R139-F143 PolarHBondContact O-N 3.06Å
140	V	98.1	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-40.8	176	170.3	0	0	0	0	112.5	F104 C105 F108 V112 F115 T138 F142 F143 A144	F104-V140 HydrophobicContact CD1-CG1 4.29Å; F104-V140 HydrophobicContact CE1-CG1 3.79Å; C105-V140 HydrophobicContact CB-CB 4.44Å; C105-V140 HydrophobicContact CB-CG1 4.29Å; F108-V140 HydrophobicContact CB-CG2 3.96Å; F108-V140 HydrophobicContact CD2-CG1 3.65Å; F108-V140 HydrophobicContact CD2-CG2 4.45Å; F108-V140 HydrophobicContact CE2-CG1 4.2Å; F108-V140 HydrophobicContact CG-CG1 4.42Å; F108-V140 HydrophobicContact CG-CG2 4.49Å; V112-V140 HydrophobicContact CB-CG2 4.3Å; V112-V140 HydrophobicContact CG1-CG2 4.27Å; V112-V140 HydrophobicContact CG2-CG2 4.47Å; F115-V140 HydrophobicContact CB-CG2 3.65Å; F115-V140 HydrophobicContact CD2-CG2 4.32Å; F115-V140 WeakPolarHBondContact O-CG2 3.39Å; F115-V140 PolarHBondContact O-N 2.83Å; F115-V140 VanDerWaalsContact O-N 3.1Å; T138-V140 PolarHBondContact O-N 3.44Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 2.95Å; V140-F143 PolarHBondContact O-N 3.49Å; V140-A144 VanDerWaalsContact O-CB 3.31Å; V140-A144 WeakPolarHBondContact O-CB 3.33Å; V140-A144 PolarHBondContact O-N 3.49Å
141	Q	98	Very high	97.4	Very high	23 Å²	23	33.4 Å²	33.4	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-45.4	173.7	-74.8	176.6	-48.8	0	0	111	W101 A137 T138 A144 V145	W101-Q141 HydrophobicContact CD2-CG 4.08Å; W101-Q141 HydrophobicContact CE3-CG 3.62Å; W101-Q141 HydrophobicContact CZ3-CB 4.37Å; W101-Q141 HydrophobicContact CZ3-CG 3.88Å; A137-Q141 HydrophobicContact CB-CB 3.99Å; T138-Q141 WeakPolarHBondContact O-CB 3.37Å; T138-Q141 PolarHBondContact O-N 3.07Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.38Å; T138-Q141 PolarHBondContact OG1-N 3.2Å; T138-Q141 PolarHBondContact OG1-OE1 3.27Å; Q141-A144 PolarHBondContact O-N 3.1Å; Q141-V145 WeakPolarHBondContact O-CG2 3.35Å; Q141-V145 PolarHBondContact O-N 2.89Å; Q141-V145 VanDerWaalsContact O-N 3.08Å
142	F	98.5	Very high	97.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-51.6	176	172.4	-88.1	0	0	0	111.4	H46 Y50 L64 T119 L121 T138 R139 V140 A144 V145 E146	H46-F142 AromaticContact CE1-CD1 3.78Å; H46-F142 AromaticContact CE1-CE1 3.49Å; H46-F142 VanDerWaalsContact CE1-CE1 3.49Å; H46-F142 WeakPolarHBondContact CE1-CE1 3.32Å; H46-F142 AromaticContact CE1-CE2 3.8Å; H46-F142 AromaticContact CE1-CZ 3.5Å; H46-F142 VanDerWaalsContact CE1-CZ 3.5Å; H46-F142 WeakPolarHBondContact CE1-CZ 3.39Å; H46-F142 AromaticContact NE2-CE1 3.98Å; Y50-F142 AromaticContact CD1-CE2 3.96Å; Y50-F142 HydrophobicContact CD1-CE2 3.96Å; Y50-F142 AromaticContact CD1-CZ 3.61Å; Y50-F142 HydrophobicContact CD1-CZ 3.61Å; Y50-F142 HydrophobicContact CD2-CE1 4.37Å; Y50-F142 AromaticContact CD2-CZ 3.76Å; Y50-F142 HydrophobicContact CD2-CZ 3.76Å; Y50-F142 HydrophobicContact CE1-CE2 4.25Å; Y50-F142 AromaticContact CE1-CZ 3.9Å; Y50-F142 HydrophobicContact CE1-CZ 3.9Å; Y50-F142 HydrophobicContact CE2-CZ 4.05Å; Y50-F142 HydrophobicContact CG-CE2 4.29Å; Y50-F142 AromaticContact CG-CZ 3.54Å; Y50-F142 HydrophobicContact CG-CZ 3.54Å; L64-F142 HydrophobicContact CD1-CE1 4.32Å; T119-F142 WeakPolarHBondContact OG1-CB 3.28Å; L121-F142 HydrophobicContact CD1-CD2 4.05Å; T138-F142 PolarHBondContact O-N 2.87Å; R139-F142 WeakPolarHBondContact O-CB 3.43Å; R139-F142 PolarHBondContact O-N 3.35Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 2.95Å; F142-A144 PolarHBondContact O-N 2.91Å; F142-V145 PolarHBondContact O-N 3.28Å; F142-E146 HydrophobicContact CD2-CG 3.98Å; F142-E146 HydrophobicContact CE1-CB 4.38Å; F142-E146 HydrophobicContact CE1-CG 4.23Å; F142-E146 HydrophobicContact CE2-CG 3.6Å; F142-E146 HydrophobicContact CG-CG 4.44Å; F142-E146 HydrophobicContact CZ-CB 4.28Å; F142-E146 HydrophobicContact CZ-CG 3.73Å; F142-E146 WeakPolarHBondContact O-CB 3.19Å; F142-E146 PolarHBondContact O-N 3.36Å
143	F	98.6	Very high	97.6	Very high	20 Å²	20	22 Å²	22	9%	0.088	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-46.9	178.2	-72.1	-31.2	0	0	0	112	L64 T65 I71 V112 R139 V140 V145 E146 I147	L64-F143 HydrophobicContact CB-CD1 3.69Å; L64-F143 HydrophobicContact CB-CE1 3.77Å; L64-F143 HydrophobicContact CD1-CD1 4.14Å; T65-F143 HydrophobicContact CG2-CD2 4.13Å; T65-F143 HydrophobicContact CG2-CE2 4.32Å; T65-F143 HydrophobicContact CG2-CG 4.47Å; I71-F143 HydrophobicContact CD1-CB 4.07Å; I71-F143 HydrophobicContact CD1-CD2 4.31Å; V112-F143 HydrophobicContact CG1-CD2 4.09Å; V112-F143 HydrophobicContact CG1-CE2 3.81Å; R139-F143 HydrophobicContact CG-CD2 3.83Å; R139-F143 HydrophobicContact CG-CE2 3.37Å; R139-F143 HydrophobicContact CG-CZ 3.8Å; R139-F143 WeakPolarHBondContact O-CD2 3.4Å; R139-F143 WeakPolarHBondContact O-CG 3.3Å; R139-F143 PolarHBondContact O-N 3.06Å; V140-F143 PolarHBondContact O-N 3.49Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.36Å; F143-E146 PolarHBondContact O-N 2.81Å; F143-I147 HydrophobicContact CB-CD1 3.92Å; F143-I147 WeakPolarHBondContact O-CB 3.47Å; F143-I147 VanDerWaalsContact O-CD1 3.24Å; F143-I147 WeakPolarHBondContact O-CD1 3.15Å; F143-I147 WeakPolarHBondContact O-CG1 3.44Å; F143-I147 PolarHBondContact O-N 3.27Å
144	A	98.6	Very high	97.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.7	-47.7	-179.8	0	0	0	0	0	112.2	I71 F75 W101 F104 V140 Q141 F142 A148	I71-A144 HydrophobicContact CG2-CB 3.96Å; F75-A144 HydrophobicContact CB-CB 4.16Å; F75-A144 HydrophobicContact CD2-CB 3.7Å; F75-A144 HydrophobicContact CE2-CB 4.35Å; F75-A144 HydrophobicContact CG-CB 3.97Å; W101-A144 HydrophobicContact CH2-CB 4.5Å; W101-A144 HydrophobicContact CZ3-CB 4.28Å; F104-A144 HydrophobicContact CE1-CB 3.7Å; F104-A144 HydrophobicContact CZ-CB 3.76Å; V140-A144 VanDerWaalsContact O-CB 3.31Å; V140-A144 WeakPolarHBondContact O-CB 3.33Å; V140-A144 PolarHBondContact O-N 3.49Å; Q141-A144 PolarHBondContact O-N 3.1Å; F142-A144 PolarHBondContact O-N 2.91Å; A144-A148 WeakPolarHBondContact O-CB 3.16Å; A144-A148 PolarHBondContact O-N 3.04Å
145	V	98.7	Very high	97.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-48.8	-179.6	173.7	0	0	0	0	111.8	V84 L87 W101 L121 Q141 F142 F143 A148 R149	V84-V145 HydrophobicContact CB-CG1 4.4Å; L87-V145 HydrophobicContact CD1-CG1 3.77Å; L87-V145 HydrophobicContact CD1-CG2 4.13Å; W101-V145 HydrophobicContact CH2-CG2 4.23Å; L121-V145 HydrophobicContact CD1-CB 4.09Å; L121-V145 HydrophobicContact CD1-CG1 3.87Å; L121-V145 HydrophobicContact CD2-CB 4.12Å; L121-V145 HydrophobicContact CD2-CG1 4.14Å; L121-V145 HydrophobicContact CD2-CG2 4.01Å; L121-V145 HydrophobicContact CG-CG1 4.49Å; Q141-V145 WeakPolarHBondContact O-CG2 3.35Å; Q141-V145 PolarHBondContact O-N 2.89Å; Q141-V145 VanDerWaalsContact O-N 3.08Å; F142-V145 PolarHBondContact O-N 3.28Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.36Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 3.35Å; V145-R149 HydrophobicContact CG1-CG 4.36Å; V145-R149 WeakPolarHBondContact O-CG 3.46Å; V145-R149 PolarHBondContact O-N 3.01Å
146	E	98.5	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-74.4	-31	-173.9	-71.7	-57.1	159.5	0	0	113.1	Y50 L64 L121 R122 F142 F143 A148 R149 N150 N155	Y50-E146 HydrophobicContact CE1-CB 4.33Å; Y50-E146 HydrophobicContact CE1-CG 3.75Å; Y50-E146 HydrophobicContact CE2-CB 4.45Å; Y50-E146 WeakPolarHBondContact OH-CB 3.24Å; Y50-E146 PolarHBondContact OH-OE2 3.31Å; L64-E146 HydrophobicContact CD1-CB 3.87Å; L121-E146 HydrophobicContact CD1-CG 3.95Å; L121-E146 WeakPolarHBondContact CD1-OE1 3.46Å; R122-E146 IonicContact NH2-OE2 3.28Å; F142-E146 HydrophobicContact CD2-CG 3.98Å; F142-E146 HydrophobicContact CE1-CB 4.38Å; F142-E146 HydrophobicContact CE1-CG 4.23Å; F142-E146 HydrophobicContact CE2-CG 3.6Å; F142-E146 HydrophobicContact CG-CG 4.44Å; F142-E146 HydrophobicContact CZ-CB 4.28Å; F142-E146 HydrophobicContact CZ-CG 3.73Å; F142-E146 WeakPolarHBondContact O-CB 3.19Å; F142-E146 PolarHBondContact O-N 3.36Å; F143-E146 PolarHBondContact O-N 2.81Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-R149 PolarHBondContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.92Å; E146-R149 IonicContact OE1-NH1 3.49Å; E146-R149 PolarHBondContact OE1-NH1 3.08Å; E146-R149 VanDerWaalsContact OE2-CD 3.23Å; E146-R149 WeakPolarHBondContact OE2-CD 3.3Å; E146-N150 VanDerWaalsContact O-CB 3.31Å; E146-N150 WeakPolarHBondContact O-CB 3.46Å; E146-N150 PolarHBondContact O-N 3.13Å; E146-N150 PolarHBondContact O-OD1 3.21Å; E146-N155 PolarHBondContact OE2-ND2 3.45Å
147	I	98.6	Very high	97.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-44.4	169.7	-66.2	163.2	0	0	0	109.6	L64 D68 I71 Y72 F143 N150 R151	L64-I147 HydrophobicContact CB-CG1 4.31Å; L64-I147 HydrophobicContact CD1-CG1 3.97Å; L64-I147 HydrophobicContact CG-CG1 4.2Å; D68-I147 HydrophobicContact CB-CD1 3.94Å; D68-I147 HydrophobicContact CB-CG1 4.43Å; D68-I147 HydrophobicContact CB-CG2 4.34Å; D68-I147 VanDerWaalsContact OD1-CD1 3.23Å; D68-I147 WeakPolarHBondContact OD1-CD1 3.34Å; I71-I147 HydrophobicContact CB-CD1 4.15Å; I71-I147 HydrophobicContact CD1-CD1 4.32Å; I71-I147 HydrophobicContact CG2-CD1 3.98Å; Y72-I147 HydrophobicContact CD2-CG2 4.32Å; Y72-I147 HydrophobicContact CG-CG2 4.44Å; F143-I147 HydrophobicContact CB-CD1 3.92Å; F143-I147 WeakPolarHBondContact O-CB 3.47Å; F143-I147 VanDerWaalsContact O-CD1 3.24Å; F143-I147 WeakPolarHBondContact O-CD1 3.15Å; F143-I147 WeakPolarHBondContact O-CG1 3.44Å; F143-I147 PolarHBondContact O-N 3.27Å; I147-N150 PolarHBondContact O-N 3.26Å; I147-R151 HydrophobicContact CG2-CG 4.32Å; I147-R151 VanDerWaalsContact CG2-NE 3.29Å; I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 VanDerWaalsContact O-CG 3.32Å; I147-R151 WeakPolarHBondContact O-CG 3.13Å; I147-R151 PolarHBondContact O-N 3.38Å
148	A	98.5	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-48.3	176	0	0	0	0	0	111.3	Y72 F75 V84 A144 V145 E146 N150 R151 E152	Y72-A148 HydrophobicContact CD2-CB 4.1Å; Y72-A148 HydrophobicContact CE2-CB 3.97Å; F75-A148 HydrophobicContact CD1-CB 3.97Å; F75-A148 HydrophobicContact CE1-CB 3.68Å; V84-A148 HydrophobicContact CG1-CB 4.15Å; V84-A148 HydrophobicContact CG2-CB 4.31Å; A144-A148 WeakPolarHBondContact O-CB 3.16Å; A144-A148 PolarHBondContact O-N 3.04Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 3.35Å; E146-A148 VanDerWaalsContact C-N 3.34Å; A148-N150 VanDerWaalsContact C-N 3.31Å; A148-N150 PolarHBondContact O-N 3.16Å; A148-R151 PolarHBondContact O-N 3.09Å; A148-E152 WeakPolarHBondContact O-CB 3.25Å; A148-E152 VanDerWaalsContact O-CG 3.24Å; A148-E152 WeakPolarHBondContact O-CG 3.17Å; A148-E152 PolarHBondContact O-N 3.01Å
149	R	98.4	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.2	-41.7	176.1	-72.7	169.2	171.6	175.7	-4.4	113.2	V84 R122 L123 C125 V145 E146 G153 H154 N155	V84-R149 HydrophobicContact CB-CG 4.15Å; V84-R149 HydrophobicContact CG2-CG 4.1Å; V84-R149 VanDerWaalsContact O-CZ 3.23Å; V84-R149 PolarHBondContact O-NE 2.81Å; V84-R149 PolarHBondContact O-NH2 2.89Å; R122-R149 VanDerWaalsContact O-CZ 3.27Å; R122-R149 PolarHBondContact O-NH1 2.89Å; R122-R149 PolarHBondContact O-NH2 3.41Å; L123-R149 PolarHBondContact O-NH2 2.85Å; C125-R149 HydrophobicContact CB-CG 4.37Å; V145-R149 HydrophobicContact CG1-CG 4.36Å; V145-R149 WeakPolarHBondContact O-CG 3.46Å; V145-R149 PolarHBondContact O-N 3.01Å; E146-R149 PolarHBondContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.92Å; E146-R149 IonicContact OE1-NH1 3.49Å; E146-R149 PolarHBondContact OE1-NH1 3.08Å; E146-R149 VanDerWaalsContact OE2-CD 3.23Å; E146-R149 WeakPolarHBondContact OE2-CD 3.3Å; R149-G153 PolarHBondContact O-N 3.36Å; R149-H154 HydrophobicContact CB-CB 4.17Å; R149-H154 HydrophobicContact CG-CB 4.26Å; R149-H154 PolarHBondContact O-N 3.13Å; R149-N155 WeakPolarHBondContact CB-ND2 3.21Å; R149-N155 PolarHBondContact O-N 3.27Å
150	N	97.9	Very high	96.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-49.1	177.8	-74.8	-1.5	0	0	0	111.6	Y50 P59 K60 E146 I147 A148 G153 N155	Y50-N150 PolarHBondContact OH-OD1 2.71Å; P59-N150 HydrophobicContact CB-CB 4.2Å; P59-N150 WeakPolarHBondContact CB-OD1 3.41Å; P59-N150 WeakPolarHBondContact O-CB 3.44Å; K60-N150 WeakPolarHBondContact CG-O 3.21Å; E146-N150 VanDerWaalsContact O-CB 3.31Å; E146-N150 WeakPolarHBondContact O-CB 3.46Å; E146-N150 PolarHBondContact O-N 3.13Å; E146-N150 PolarHBondContact O-OD1 3.21Å; I147-N150 PolarHBondContact O-N 3.26Å; A148-N150 VanDerWaalsContact C-N 3.31Å; A148-N150 PolarHBondContact O-N 3.16Å; N150-G153 PolarHBondContact O-N 3.33Å; N150-N155 PolarHBondContact OD1-ND2 2.75Å
151	R	97.3	Very high	96.3	Very high	92 Å²	92	25.1 Å²	25.1	35%	0.347	13%	0.134	S	C	.	.	H	α-helix	trans	-68.9	-35.7	-177.4	-70.2	178.7	-175.9	-140	-6	112.8	D69 Y72 I147 A148 G153	D69-R151 IonicContact OD1-CZ 2.72Å; D69-R151 IonicContact OD1-NH1 3.97Å; D69-R151 PolarHBondContact OD1-NH1 3.06Å; D69-R151 IonicContact OD1-NH2 3.14Å; D69-R151 PolarHBondContact OD1-NH2 2.92Å; Y72-R151 HydrophobicContact CE2-CB 4.4Å; I147-R151 HydrophobicContact CG2-CG 4.32Å; I147-R151 VanDerWaalsContact CG2-NE 3.29Å; I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 VanDerWaalsContact O-CG 3.32Å; I147-R151 WeakPolarHBondContact O-CG 3.13Å; I147-R151 PolarHBondContact O-N 3.38Å; A148-R151 PolarHBondContact O-N 3.09Å; R151-G153 VanDerWaalsContact C-N 3.3Å
152	E	97	Very high	95.4	Very high	64 Å²	64	28.7 Å²	28.7	30%	0.299	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.4	-177.8	-63	168.2	-146.5	0	0	112.7	Y72 R76 A148 H154	Y72-E152 WeakPolarHBondContact CE2-OE1 3.47Å; Y72-E152 PolarHBondContact OH-OE1 3.05Å; R76-E152 IonicContact CZ-OE1 3.38Å; R76-E152 IonicContact CZ-OE2 3Å; R76-E152 IonicContact NE-OE1 2.75Å; R76-E152 PolarHBondContact NE-OE1 3.46Å; R76-E152 IonicContact NH2-OE1 3.09Å; R76-E152 PolarHBondContact NH2-OE1 2.75Å; R76-E152 IonicContact NH2-OE2 3.12Å; R76-E152 PolarHBondContact NH2-OE2 3.35Å; A148-E152 WeakPolarHBondContact O-CB 3.25Å; A148-E152 VanDerWaalsContact O-CG 3.24Å; A148-E152 WeakPolarHBondContact O-CG 3.17Å; A148-E152 PolarHBondContact O-N 3.01Å; E152-H154 VanDerWaalsContact C-N 3.33Å; E152-H154 PolarHBondContact O-N 3.24Å; E152-H154 IonicContact OE2-CD2 2.78Å; E152-H154 IonicContact OE2-NE2 2.71Å
153	G	96.8	Very high	94.4	Very high	17 Å²	17	37 Å²	37	18%	0.175	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	13.9	174.9	0	0	0	0	0	114.6	R149 N150 R151 N155 D156	R149-G153 PolarHBondContact O-N 3.36Å; N150-G153 PolarHBondContact O-N 3.33Å; R151-G153 VanDerWaalsContact C-N 3.3Å; G153-N155 VanDerWaalsContact C-N 3.33Å; G153-D156 WeakPolarHBondContact O-CB 3.2Å; G153-D156 PolarHBondContact O-N 2.8Å
154	H	97.3	Very high	93.3	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.231	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.1	177.2	-67	-51.1	0	0	0	112.7	C125 R149 E152 D156	C125-H154 PolarHBondContact SG-O 3.44Å; R149-H154 HydrophobicContact CB-CB 4.17Å; R149-H154 HydrophobicContact CG-CB 4.26Å; R149-H154 PolarHBondContact O-N 3.13Å; E152-H154 VanDerWaalsContact C-N 3.33Å; E152-H154 PolarHBondContact O-N 3.24Å; E152-H154 IonicContact OE2-CD2 2.78Å; E152-H154 IonicContact OE2-NE2 2.71Å; H154-D156 VanDerWaalsContact C-N 3.33Å
155	N	97.1	Very high	91.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.7	175.4	-80.9	-27	0	0	0	113.7	Y50 P59 R122 E146 R149 N150 G153 T157 V158	Y50-N155 PolarHBondContact OH-ND2 3.35Å; Y50-N155 VanDerWaalsContact OH-ND2 3.14Å; P59-N155 HydrophobicContact CB-CB 4.01Å; P59-N155 HydrophobicContact CG-CB 3.97Å; R122-N155 PolarHBondContact NH2-OD1 2.98Å; E146-N155 PolarHBondContact OE2-ND2 3.45Å; R149-N155 WeakPolarHBondContact CB-ND2 3.21Å; R149-N155 PolarHBondContact O-N 3.27Å; N150-N155 PolarHBondContact OD1-ND2 2.75Å; G153-N155 VanDerWaalsContact C-N 3.33Å; N155-T157 PolarHBondContact O-N 3.06Å; N155-T157 VanDerWaalsContact O-N 3.15Å; N155-V158 WeakPolarHBondContact O-CB 3.46Å; N155-V158 PolarHBondContact O-N 3.41Å
156	D	95.3	Very high	89.4	Confident	36 Å²	36	56.1 Å²	56.1	19%	0.193	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-30.9	178.7	-65.5	0.7	0	0	0	111.5	K60 G153 H154 V158 F159 T160	K60-D156 WeakPolarHBondContact CE-OD2 3.5Å; K60-D156 IonicContact NZ-OD2 2.71Å; K60-D156 PolarHBondContact NZ-OD2 3.35Å; G153-D156 WeakPolarHBondContact O-CB 3.2Å; G153-D156 PolarHBondContact O-N 2.8Å; H154-D156 VanDerWaalsContact C-N 3.33Å; D156-V158 VanDerWaalsContact C-N 3.27Å; D156-V158 PolarHBondContact O-N 3.39Å; D156-F159 PolarHBondContact O-N 2.96Å; D156-T160 WeakPolarHBondContact O-CB 3.3Å; D156-T160 VanDerWaalsContact O-CG2 3.28Å; D156-T160 WeakPolarHBondContact O-CG2 3.35Å; D156-T160 PolarHBondContact O-N 3.36Å; D156-T160 PolarHBondContact O-OG1 3.29Å
157	T	93	Very high	89	Confident	49 Å²	49	58.9 Å²	58.9	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-38.1	176.1	-56.5	0	0	0	0	112	E126 N155 T160 S161	E126-T157 HydrophobicContact CB-CG2 4.48Å; E126-T157 HydrophobicContact CG-CG2 4.39Å; N155-T157 PolarHBondContact O-N 3.06Å; N155-T157 VanDerWaalsContact O-N 3.15Å; T157-T160 WeakPolarHBondContact CA-OG1 3.05Å; T157-T160 PolarHBondContact O-OG1 3.04Å; T157-T160 VanDerWaalsContact O-OG1 3.14Å; T157-S161 WeakPolarHBondContact O-CB 3.43Å; T157-S161 PolarHBondContact O-N 3.25Å; T157-S161 PolarHBondContact O-OG 2.85Å
158	V	92.4	Very high	88.5	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-47.6	-179.8	179.8	0	0	0	0	110.3	F51 I54 C125 N155 D156 K162	F51-V158 HydrophobicContact CE2-CG1 3.87Å; F51-V158 HydrophobicContact CE2-CG2 4.47Å; F51-V158 HydrophobicContact CZ-CG1 3.82Å; I54-V158 HydrophobicContact CD1-CB 4.33Å; I54-V158 HydrophobicContact CD1-CG1 4.13Å; I54-V158 HydrophobicContact CD1-CG2 4.33Å; I54-V158 HydrophobicContact CG1-CG1 4.09Å; C125-V158 WeakPolarHBondContact O-CG2 3.29Å; N155-V158 WeakPolarHBondContact O-CB 3.46Å; N155-V158 PolarHBondContact O-N 3.41Å; D156-V158 VanDerWaalsContact C-N 3.27Å; D156-V158 PolarHBondContact O-N 3.39Å; V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.44Å
159	F	92.4	Very high	87.9	Confident	28 Å²	28	65.3 Å²	65.3	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-49.5	177.1	177	-120.8	0	0	0	112.2	I54 V57 D58 P59 D156 K162 R163	I54-F159 WeakPolarHBondContact O-CA 3.03Å; I54-F159 WeakPolarHBondContact O-CB 3.32Å; V57-F159 VanDerWaalsContact C-CD2 3.5Å; V57-F159 VanDerWaalsContact C-CE2 3.45Å; V57-F159 WeakPolarHBondContact O-CD2 3.45Å; D58-F159 HydrophobicContact CB-CD1 4.36Å; D58-F159 HydrophobicContact CB-CE1 3.92Å; D58-F159 HydrophobicContact CB-CZ 4.13Å; P59-F159 HydrophobicContact CG-CB 4.26Å; D156-F159 PolarHBondContact O-N 2.96Å; F159-K162 PolarHBondContact O-N 3.29Å; F159-R163 HydrophobicContact CE2-CG 4.28Å; F159-R163 HydrophobicContact CZ-CG 4.45Å; F159-R163 PolarHBondContact O-N 3.06Å; F159-R163 VanDerWaalsContact O-N 3.12Å
160	T	91.9	Very high	87.3	Confident	78 Å²	78	69.2 Å²	69.2	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-42.7	-177.7	52.2	0	0	0	0	112.3	D156 T157 K162 R163 A164	D156-T160 WeakPolarHBondContact O-CB 3.3Å; D156-T160 VanDerWaalsContact O-CG2 3.28Å; D156-T160 WeakPolarHBondContact O-CG2 3.35Å; D156-T160 PolarHBondContact O-N 3.36Å; D156-T160 PolarHBondContact O-OG1 3.29Å; T157-T160 WeakPolarHBondContact CA-OG1 3.05Å; T157-T160 PolarHBondContact O-OG1 3.04Å; T157-T160 VanDerWaalsContact O-OG1 3.14Å; T160-K162 VanDerWaalsContact C-N 3.28Å; T160-K162 PolarHBondContact O-N 3.45Å; T160-R163 PolarHBondContact O-N 3.47Å; T160-A164 PolarHBondContact O-N 3.19Å
161	S	87.2	Confident	86.6	Confident	54 Å²	54	73.3 Å²	73.3	38%	0.378	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-33.1	179.2	-64	0	0	0	0	113	T157 K165	T157-S161 WeakPolarHBondContact O-CB 3.43Å; T157-S161 PolarHBondContact O-N 3.25Å; T157-S161 PolarHBondContact O-OG 2.85Å; S161-K165 WeakPolarHBondContact O-CG 3.4Å
162	K	79.9	Confident	85.9	Confident	98 Å²	98	72 Å²	72	43%	0.426	39%	0.394	S	S	.	.	H	α-helix	trans	-79.4	-37.5	178.1	-73.9	-84.6	-173.3	173	0	111.9	V158 F159 T160 A164 K165 S166	V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.44Å; F159-K162 PolarHBondContact O-N 3.29Å; T160-K162 VanDerWaalsContact C-N 3.28Å; T160-K162 PolarHBondContact O-N 3.45Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.09Å; K162-K165 PolarHBondContact O-N 3.07Å; K162-S166 PolarHBondContact O-N 3.28Å
163	R	77.4	Confident	85.1	Confident	176 Å²	176	72.6 Å²	72.6	66%	0.664	40%	0.401	S	S	*	.	H	α-helix	trans	-62.1	-37.4	170.7	-78	-168.5	109.6	-179.2	4.9	113.2	F159 T160 K165 S166	F159-R163 HydrophobicContact CE2-CG 4.28Å; F159-R163 HydrophobicContact CZ-CG 4.45Å; F159-R163 PolarHBondContact O-N 3.06Å; F159-R163 VanDerWaalsContact O-N 3.12Å; T160-R163 PolarHBondContact O-N 3.47Å; R163-K165 PolarHBondContact O-N 3.23Å; R163-S166 PolarHBondContact O-N 2.64Å
164	A	74.2	Confident	84.2	Confident	87 Å²	87	76.8 Å²	76.8	72%	0.719	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17	177.7	0	0	0	0	0	113.7	T160 K162	T160-A164 PolarHBondContact O-N 3.19Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.09Å
165	K	61.9	Low	83.2	Confident	174 Å²	174	79.1 Å²	79.1	76%	0.757	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.2	178.8	-67.7	174.5	-178.1	177.9	0	113.5	S161 K162 R163	S161-K165 WeakPolarHBondContact O-CG 3.4Å; K162-K165 PolarHBondContact O-N 3.07Å; R163-K165 PolarHBondContact O-N 3.23Å
166	S	55	Low	81.9	Confident	160 Å²	160	86.3 Å²	86.3	100%	1.119	47%	0.474	S	S	*	.			trans	-98.6	0	177.3	-175.8	0	0	0	0	111.5	K162 R163	K162-S166 PolarHBondContact O-N 3.28Å; R163-S166 PolarHBondContact O-N 2.64Å

Retrieved 166 of 166 residues in 98.5 ms (Link to these results)

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